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 2c8l_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 0.000 176.256 176.300 -0.073 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.009 0.000 0.988 1 M CB 0.000 32.594 32.600 -0.010 0.000 1.302 2 E N 1.698 121.820 120.200 -0.130 0.000 3.751 2 E HA 0.790 5.139 4.350 -0.002 0.000 0.281 2 E C 0.321 176.870 176.600 -0.085 0.000 1.086 2 E CA -0.229 56.039 56.400 -0.221 0.000 1.579 2 E CB 0.805 30.284 29.700 -0.368 0.000 1.666 2 E HN 0.622 nan 8.360 nan 0.000 0.655 3 A N -0.078 122.679 122.820 -0.106 0.000 2.806 3 A HA 0.533 4.852 4.320 -0.002 0.000 0.266 3 A C 0.990 178.475 177.584 -0.165 0.000 0.926 3 A CA 0.249 52.266 52.037 -0.034 0.000 1.068 3 A CB -0.272 18.694 19.000 -0.058 0.000 1.189 3 A HN 0.483 nan 8.150 nan 0.000 0.481 4 A N 0.508 123.272 122.820 -0.093 0.000 2.009 4 A HA -0.271 4.048 4.320 -0.002 0.000 0.222 4 A C 1.809 179.321 177.584 -0.120 0.000 1.175 4 A CA 2.390 54.371 52.037 -0.094 0.000 0.651 4 A CB -1.039 17.949 19.000 -0.020 0.000 0.815 4 A HN 1.217 nan 8.150 nan 0.000 0.459 5 H N -0.534 118.524 119.070 -0.020 0.000 2.518 5 H HA -0.002 4.553 4.556 -0.002 0.000 0.292 5 H C 1.671 176.991 175.328 -0.014 0.000 1.068 5 H CA 1.759 57.798 56.048 -0.015 0.000 1.275 5 H CB -0.423 29.345 29.762 0.010 0.000 1.375 5 H HN 0.504 nan 8.280 nan 0.000 0.563 6 S N -1.283 113.989 115.700 -0.712 0.000 2.512 6 S HA 0.206 4.675 4.470 -0.002 0.000 0.216 6 S C 0.766 175.239 174.600 -0.211 0.000 1.006 6 S CA -0.727 57.218 58.200 -0.424 0.000 0.915 6 S CB 0.505 63.400 63.200 -0.507 0.000 0.824 6 S HN 0.083 nan 8.310 nan 0.000 0.497 7 K N 2.787 123.073 120.400 -0.190 0.000 2.098 7 K HA 0.435 4.754 4.320 -0.002 0.000 0.244 7 K C 0.644 177.206 176.600 -0.063 0.000 1.014 7 K CA -0.004 56.219 56.287 -0.105 0.000 0.917 7 K CB 1.290 33.733 32.500 -0.095 0.000 1.072 7 K HN 0.446 nan 8.250 nan 0.000 0.477 8 S N -0.904 114.775 115.700 -0.035 0.000 2.681 8 S HA 0.090 4.559 4.470 -0.002 0.000 0.270 8 S C 1.262 175.858 174.600 -0.006 0.000 1.209 8 S CA -0.192 57.995 58.200 -0.021 0.000 0.988 8 S CB 1.084 64.276 63.200 -0.014 0.000 1.006 8 S HN 0.500 nan 8.310 nan 0.000 0.558 9 T N 0.755 115.307 114.554 -0.004 0.000 2.821 9 T HA -0.015 4.334 4.350 -0.002 0.000 0.267 9 T C 1.398 176.111 174.700 0.021 0.000 1.046 9 T CA 1.779 63.882 62.100 0.004 0.000 1.139 9 T CB -0.587 68.278 68.868 -0.005 0.000 0.871 9 T HN 0.747 nan 8.240 nan 0.000 0.454 10 E N 0.946 121.157 120.200 0.018 0.000 2.158 10 E HA -0.011 4.338 4.350 -0.002 0.000 0.191 10 E C 2.192 178.821 176.600 0.048 0.000 0.982 10 E CA 0.723 57.141 56.400 0.029 0.000 0.823 10 E CB -0.067 29.644 29.700 0.018 0.000 0.766 10 E HN 0.562 nan 8.360 nan 0.000 0.468 11 E N -0.045 120.180 120.200 0.041 0.000 2.077 11 E HA -0.161 4.188 4.350 -0.002 0.000 0.193 11 E C 1.873 178.539 176.600 0.110 0.000 0.989 11 E CA 1.209 57.644 56.400 0.057 0.000 0.800 11 E CB -0.150 29.564 29.700 0.024 0.000 0.746 11 E HN 0.288 nan 8.360 nan 0.000 0.452 12 C N 0.614 119.978 119.300 0.107 0.000 2.457 12 C HA -0.021 4.438 4.460 -0.002 0.000 0.278 12 C C 2.580 177.741 174.990 0.285 0.000 1.309 12 C CA 0.185 59.320 59.018 0.195 0.000 1.735 12 C CB -0.779 27.040 27.740 0.131 0.000 1.992 12 C HN 0.388 nan 8.230 nan 0.000 0.493 13 L N 0.931 122.257 121.223 0.172 0.000 2.093 13 L HA -0.132 4.207 4.340 -0.002 0.000 0.208 13 L C 2.834 179.808 176.870 0.174 0.000 1.085 13 L CA 1.465 56.400 54.840 0.157 0.000 0.755 13 L CB -0.613 41.495 42.059 0.083 0.000 0.904 13 L HN 0.350 nan 8.230 nan 0.000 0.435 14 A N -0.625 122.280 122.820 0.143 0.000 1.841 14 A HA -0.292 4.027 4.320 -0.002 0.000 0.214 14 A C 2.142 179.793 177.584 0.111 0.000 1.195 14 A CA 1.502 53.602 52.037 0.105 0.000 0.611 14 A CB -1.064 17.983 19.000 0.078 0.000 0.835 14 A HN 0.410 nan 8.150 nan 0.000 0.443 15 Y N -0.379 119.938 120.300 0.027 0.000 2.030 15 Y HA -0.327 4.222 4.550 -0.002 0.000 0.272 15 Y C 1.907 177.727 175.900 -0.133 0.000 1.185 15 Y CA 2.591 60.641 58.100 -0.082 0.000 1.120 15 Y CB -0.583 37.790 38.460 -0.146 0.000 0.955 15 Y HN 0.284 nan 8.280 nan 0.000 0.495 16 F N 0.051 120.093 119.950 0.153 0.000 2.780 16 F HA 0.205 4.731 4.527 -0.002 0.000 0.299 16 F C 1.732 177.589 175.800 0.096 0.000 1.146 16 F CA 0.764 58.840 58.000 0.126 0.000 1.428 16 F CB -0.484 38.666 39.000 0.250 0.000 1.115 16 F HN 0.186 nan 8.300 nan 0.000 0.583 17 G N 1.919 110.834 108.800 0.192 0.000 2.370 17 G HA2 -0.143 3.816 3.960 -0.002 0.000 0.293 17 G HA3 -0.143 3.816 3.960 -0.002 0.000 0.293 17 G C -0.459 174.526 174.900 0.143 0.000 0.992 17 G CA 0.386 45.559 45.100 0.121 0.000 1.247 17 G HN 0.347 nan 8.290 nan 0.000 0.505 18 V N 0.221 120.226 119.914 0.152 0.000 3.074 18 V HA 0.906 5.025 4.120 -0.002 0.000 0.314 18 V C 0.339 176.473 176.094 0.067 0.000 1.117 18 V CA -0.043 62.321 62.300 0.106 0.000 1.014 18 V CB 2.487 34.378 31.823 0.113 0.000 1.057 18 V HN 1.182 nan 8.190 nan 0.000 0.438 19 S N 2.445 118.171 115.700 0.042 0.000 2.429 19 S HA 0.376 4.845 4.470 -0.002 0.000 0.302 19 S C 0.630 175.237 174.600 0.012 0.000 1.115 19 S CA -0.249 57.966 58.200 0.027 0.000 1.095 19 S CB 1.358 64.572 63.200 0.024 0.000 0.987 19 S HN 0.885 nan 8.310 nan 0.000 0.474 20 E N 2.577 122.775 120.200 -0.003 0.000 2.160 20 E HA -0.206 4.143 4.350 -0.002 0.000 0.195 20 E C 1.529 178.095 176.600 -0.056 0.000 0.991 20 E CA 1.763 58.141 56.400 -0.037 0.000 0.810 20 E CB -0.084 29.589 29.700 -0.044 0.000 0.742 20 E HN 0.909 nan 8.360 nan 0.000 0.466 21 T N -3.725 110.814 114.554 -0.024 0.000 3.065 21 T HA 0.106 4.454 4.350 -0.002 0.000 0.252 21 T C 1.526 176.247 174.700 0.035 0.000 1.099 21 T CA 0.729 62.822 62.100 -0.012 0.000 1.063 21 T CB 0.498 69.363 68.868 -0.004 0.000 0.948 21 T HN -0.034 nan 8.240 nan 0.000 0.506 22 T N 0.307 114.884 114.554 0.038 0.000 3.114 22 T HA 0.581 4.930 4.350 -0.002 0.000 0.240 22 T C 1.100 175.843 174.700 0.070 0.000 0.983 22 T CA 0.399 62.532 62.100 0.055 0.000 1.151 22 T CB -0.060 68.829 68.868 0.034 0.000 0.974 22 T HN 0.869 nan 8.240 nan 0.000 0.442 23 G N 1.418 110.248 108.800 0.050 0.000 2.685 23 G HA2 0.016 3.975 3.960 -0.002 0.000 0.387 23 G HA3 0.016 3.975 3.960 -0.002 0.000 0.387 23 G C -1.152 173.759 174.900 0.018 0.000 1.324 23 G CA -1.079 44.049 45.100 0.047 0.000 0.878 23 G HN 0.371 nan 8.290 nan 0.000 0.527 24 L N 1.284 122.503 121.223 -0.008 0.000 2.456 24 L HA 0.492 4.831 4.340 -0.002 0.000 0.272 24 L C 1.804 178.650 176.870 -0.041 0.000 1.189 24 L CA 0.818 55.626 54.840 -0.053 0.000 0.846 24 L CB 0.615 42.600 42.059 -0.123 0.000 1.111 24 L HN 1.067 nan 8.230 nan 0.000 0.475 25 T N 0.395 114.920 114.554 -0.047 0.000 2.909 25 T HA 0.341 4.690 4.350 -0.002 0.000 0.286 25 T C -1.860 172.815 174.700 -0.042 0.000 1.002 25 T CA -1.819 60.263 62.100 -0.030 0.000 1.074 25 T CB 1.151 70.009 68.868 -0.017 0.000 0.984 25 T HN 0.416 nan 8.240 nan 0.000 0.495 26 P HA -0.158 nan 4.420 nan 0.000 0.218 26 P C 1.012 178.300 177.300 -0.019 0.000 1.146 26 P CA 1.121 64.210 63.100 -0.019 0.000 0.820 26 P CB 0.082 31.777 31.700 -0.008 0.000 0.778 27 D N -0.894 119.495 120.400 -0.018 0.000 2.077 27 D HA -0.166 4.473 4.640 -0.002 0.000 0.196 27 D C 1.980 178.268 176.300 -0.019 0.000 0.986 27 D CA 1.351 55.346 54.000 -0.009 0.000 0.829 27 D CB -0.568 40.231 40.800 -0.002 0.000 0.983 27 D HN 0.128 nan 8.370 nan 0.000 0.453 28 Q N -0.238 119.527 119.800 -0.059 0.000 2.133 28 Q HA -0.166 4.173 4.340 -0.002 0.000 0.208 28 Q C 2.391 178.238 176.000 -0.254 0.000 0.991 28 Q CA 1.355 57.059 55.803 -0.166 0.000 0.867 28 Q CB -0.183 28.396 28.738 -0.266 0.000 0.911 28 Q HN 0.216 nan 8.270 nan 0.000 0.417 29 V N 0.854 120.674 119.914 -0.157 0.000 2.255 29 V HA -0.296 3.823 4.120 -0.002 0.000 0.247 29 V C 2.002 178.110 176.094 0.024 0.000 1.051 29 V CA 2.052 64.309 62.300 -0.071 0.000 1.018 29 V CB -0.345 31.461 31.823 -0.028 0.000 0.641 29 V HN 0.250 nan 8.190 nan 0.000 0.445 30 K N -0.127 120.285 120.400 0.021 0.000 2.057 30 K HA -0.107 4.212 4.320 -0.002 0.000 0.207 30 K C 2.200 178.835 176.600 0.059 0.000 1.049 30 K CA 1.311 57.620 56.287 0.036 0.000 0.931 30 K CB -0.460 32.054 32.500 0.023 0.000 0.714 30 K HN 0.338 nan 8.250 nan 0.000 0.440 31 R N -0.280 120.268 120.500 0.080 0.000 2.082 31 R HA -0.117 4.222 4.340 -0.002 0.000 0.234 31 R C 2.329 178.739 176.300 0.184 0.000 1.136 31 R CA 1.858 58.028 56.100 0.115 0.000 0.935 31 R CB -0.597 29.797 30.300 0.156 0.000 0.842 31 R HN 0.504 nan 8.270 nan 0.000 0.430 32 H N 0.083 119.205 119.070 0.087 0.000 2.267 32 H HA -0.174 4.381 4.556 -0.002 0.000 0.297 32 H C 2.245 177.667 175.328 0.156 0.000 1.080 32 H CA 1.316 57.487 56.048 0.205 0.000 1.278 32 H CB -0.154 29.797 29.762 0.315 0.000 1.365 32 H HN 0.060 nan 8.280 nan 0.000 0.489 33 L N 1.510 122.875 121.223 0.236 0.000 2.089 33 L HA -0.237 4.102 4.340 -0.002 0.000 0.213 33 L C 2.324 179.181 176.870 -0.023 0.000 1.079 33 L CA 1.844 56.728 54.840 0.074 0.000 0.758 33 L CB -0.476 41.594 42.059 0.019 0.000 0.891 33 L HN 0.219 nan 8.230 nan 0.000 0.433 34 E N -0.133 120.063 120.200 -0.007 0.000 2.008 34 E HA -0.230 4.118 4.350 -0.002 0.000 0.191 34 E C 2.313 178.861 176.600 -0.087 0.000 0.986 34 E CA 1.783 58.153 56.400 -0.051 0.000 0.807 34 E CB -0.361 29.319 29.700 -0.034 0.000 0.766 34 E HN 0.424 nan 8.360 nan 0.000 0.450 35 K N -1.044 119.265 120.400 -0.152 0.000 2.044 35 K HA -0.209 4.110 4.320 -0.002 0.000 0.210 35 K C 1.822 178.199 176.600 -0.372 0.000 1.049 35 K CA 1.847 57.928 56.287 -0.344 0.000 0.927 35 K CB -0.282 31.845 32.500 -0.621 0.000 0.713 35 K HN 0.241 nan 8.250 nan 0.000 0.443 36 Y N -0.407 119.901 120.300 0.014 0.000 2.510 36 Y HA 0.221 4.770 4.550 -0.002 0.000 0.273 36 Y C 1.273 177.175 175.900 0.004 0.000 1.119 36 Y CA 0.459 58.575 58.100 0.026 0.000 1.286 36 Y CB 0.274 38.772 38.460 0.063 0.000 1.061 36 Y HN 0.392 nan 8.280 nan 0.000 0.542 37 G N -0.037 108.802 108.800 0.064 0.000 2.741 37 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.222 37 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.222 37 G C -0.763 174.100 174.900 -0.062 0.000 1.364 37 G CA -0.626 44.446 45.100 -0.047 0.000 0.866 37 G HN 0.294 nan 8.290 nan 0.000 0.555 38 H N 0.203 119.328 119.070 0.091 0.000 2.551 38 H HA 0.346 4.901 4.556 -0.002 0.000 0.358 38 H C 0.838 176.210 175.328 0.073 0.000 1.151 38 H CA -0.037 56.057 56.048 0.077 0.000 1.374 38 H CB 1.172 30.967 29.762 0.056 0.000 1.473 38 H HN 0.496 nan 8.280 nan 0.000 0.574 39 N N 2.262 121.091 118.700 0.214 0.000 3.050 39 N HA 0.000 4.739 4.740 -0.002 0.000 0.289 39 N C -0.912 174.660 175.510 0.103 0.000 1.209 39 N CA -0.175 52.952 53.050 0.128 0.000 1.154 39 N CB -0.233 38.313 38.487 0.098 0.000 1.444 39 N HN 0.637 nan 8.380 nan 0.000 0.529 40 E N 0.514 120.776 120.200 0.103 0.000 2.407 40 E HA 0.281 4.630 4.350 -0.002 0.000 0.279 40 E C -1.222 175.420 176.600 0.069 0.000 1.012 40 E CA -0.911 55.533 56.400 0.074 0.000 0.800 40 E CB 0.730 30.465 29.700 0.059 0.000 1.276 40 E HN 0.027 nan 8.360 nan 0.000 0.452 41 L N 1.569 122.825 121.223 0.054 0.000 2.305 41 L HA 0.411 4.750 4.340 -0.002 0.000 0.281 41 L C -2.103 174.791 176.870 0.040 0.000 1.085 41 L CA -2.028 52.840 54.840 0.048 0.000 0.813 41 L CB 0.275 42.360 42.059 0.044 0.000 1.157 41 L HN 0.397 nan 8.230 nan 0.000 0.436 42 P HA -0.139 nan 4.420 nan 0.000 0.266 42 P C -0.344 176.971 177.300 0.025 0.000 1.162 42 P CA 0.216 63.336 63.100 0.034 0.000 0.758 42 P CB 0.412 32.130 31.700 0.030 0.000 0.774 43 A N 2.577 125.411 122.820 0.022 0.000 2.448 43 A HA 0.075 4.394 4.320 -0.002 0.000 0.239 43 A C 0.497 178.087 177.584 0.010 0.000 1.080 43 A CA -0.189 51.856 52.037 0.014 0.000 0.779 43 A CB -0.089 18.919 19.000 0.013 0.000 1.026 43 A HN 0.626 nan 8.150 nan 0.000 0.499 44 E N 0.335 120.537 120.200 0.004 0.000 2.283 44 E HA 0.228 4.577 4.350 -0.002 0.000 0.278 44 E C -0.539 176.062 176.600 0.002 0.000 1.027 44 E CA -0.195 56.205 56.400 0.000 0.000 0.843 44 E CB 0.560 30.256 29.700 -0.007 0.000 1.062 44 E HN 0.597 nan 8.360 nan 0.000 0.401 45 E N 3.510 123.711 120.200 0.002 0.000 2.256 45 E HA 0.323 4.672 4.350 -0.002 0.000 0.243 45 E C -1.184 175.418 176.600 0.002 0.000 0.925 45 E CA -0.578 55.825 56.400 0.005 0.000 0.748 45 E CB 0.723 30.428 29.700 0.008 0.000 1.206 45 E HN 0.625 nan 8.360 nan 0.000 0.428 46 G N 4.528 113.328 108.800 0.001 0.000 2.468 46 G HA2 0.159 4.117 3.960 -0.002 0.000 0.320 46 G HA3 0.159 4.117 3.960 -0.002 0.000 0.320 46 G C -0.070 174.834 174.900 0.007 0.000 1.137 46 G CA -0.538 44.561 45.100 -0.002 0.000 0.984 46 G HN 0.375 nan 8.290 nan 0.000 0.462 47 K N 1.080 121.485 120.400 0.008 0.000 2.552 47 K HA 0.012 4.331 4.320 -0.002 0.000 0.276 47 K C 1.269 177.887 176.600 0.031 0.000 0.960 47 K CA 0.514 56.811 56.287 0.018 0.000 0.961 47 K CB 0.340 32.841 32.500 0.002 0.000 0.902 47 K HN 0.655 nan 8.250 nan 0.000 0.515 48 S N 1.098 116.834 115.700 0.060 0.000 2.655 48 S HA 0.157 4.626 4.470 -0.002 0.000 0.265 48 S C 1.566 176.224 174.600 0.095 0.000 1.240 48 S CA -0.836 57.417 58.200 0.088 0.000 0.986 48 S CB 0.469 63.752 63.200 0.139 0.000 0.985 48 S HN 0.534 nan 8.310 nan 0.000 0.562 49 L N -0.203 121.088 121.223 0.114 0.000 2.079 49 L HA -0.112 4.227 4.340 -0.002 0.000 0.210 49 L C 2.412 179.378 176.870 0.159 0.000 1.081 49 L CA 1.728 56.638 54.840 0.117 0.000 0.752 49 L CB -0.727 41.406 42.059 0.123 0.000 0.896 49 L HN 0.813 nan 8.230 nan 0.000 0.433 50 W N 2.179 123.477 121.300 -0.003 0.000 2.354 50 W HA -0.210 4.449 4.660 -0.002 0.000 0.315 50 W C 2.120 178.634 176.519 -0.008 0.000 1.206 50 W CA 1.678 59.014 57.345 -0.015 0.000 1.290 50 W CB -0.036 29.414 29.460 -0.017 0.000 1.152 50 W HN 0.206 nan 8.180 nan 0.000 0.489 51 E N 0.632 120.788 120.200 -0.075 0.000 2.204 51 E HA -0.218 4.131 4.350 -0.002 0.000 0.195 51 E C 2.205 178.708 176.600 -0.162 0.000 0.990 51 E CA 1.300 57.580 56.400 -0.200 0.000 0.821 51 E CB -0.354 29.322 29.700 -0.040 0.000 0.750 51 E HN 0.381 nan 8.360 nan 0.000 0.477 52 L N 0.137 121.318 121.223 -0.070 0.000 1.938 52 L HA -0.190 4.149 4.340 -0.002 0.000 0.212 52 L C 2.445 179.284 176.870 -0.051 0.000 1.085 52 L CA 0.813 55.633 54.840 -0.033 0.000 0.760 52 L CB -0.826 41.245 42.059 0.019 0.000 0.888 52 L HN 0.004 nan 8.230 nan 0.000 0.433 53 V N 0.559 120.455 119.914 -0.029 0.000 2.280 53 V HA -0.413 3.706 4.120 -0.002 0.000 0.258 53 V C 2.334 178.378 176.094 -0.083 0.000 1.081 53 V CA 2.385 64.676 62.300 -0.015 0.000 1.070 53 V CB -0.663 31.125 31.823 -0.057 0.000 0.666 53 V HN 0.357 nan 8.190 nan 0.000 0.450 54 I N -0.384 119.986 120.570 -0.334 0.000 2.087 54 I HA -0.293 3.875 4.170 -0.002 0.000 0.240 54 I C 2.775 178.825 176.117 -0.111 0.000 1.054 54 I CA 2.216 63.291 61.300 -0.374 0.000 1.311 54 I CB -0.562 37.072 38.000 -0.610 0.000 1.024 54 I HN 0.417 nan 8.210 nan 0.000 0.402 55 E N 0.808 120.948 120.200 -0.100 0.000 2.085 55 E HA -0.259 4.090 4.350 -0.002 0.000 0.194 55 E C 2.058 178.673 176.600 0.025 0.000 0.994 55 E CA 1.395 57.773 56.400 -0.037 0.000 0.801 55 E CB -0.126 29.549 29.700 -0.041 0.000 0.743 55 E HN 0.464 nan 8.360 nan 0.000 0.453 56 Q N -0.847 119.002 119.800 0.081 0.000 2.376 56 Q HA -0.139 4.200 4.340 -0.002 0.000 0.211 56 Q C 0.592 176.642 176.000 0.083 0.000 0.986 56 Q CA 0.799 56.672 55.803 0.116 0.000 0.886 56 Q CB -0.279 28.595 28.738 0.227 0.000 0.927 56 Q HN 0.248 nan 8.270 nan 0.000 0.457 57 F N -0.538 119.360 119.950 -0.086 0.000 2.893 57 F HA 0.245 4.770 4.527 -0.002 0.000 0.340 57 F C 1.336 177.088 175.800 -0.080 0.000 1.300 57 F CA -0.508 57.445 58.000 -0.079 0.000 1.227 57 F CB 0.499 39.447 39.000 -0.087 0.000 1.044 57 F HN -0.003 nan 8.300 nan 0.000 0.512 58 E N -0.173 120.042 120.200 0.025 0.000 2.453 58 E HA -0.015 4.334 4.350 -0.002 0.000 0.211 58 E C -0.006 176.575 176.600 -0.031 0.000 0.897 58 E CA -0.001 56.397 56.400 -0.004 0.000 1.063 58 E CB 0.357 30.048 29.700 -0.016 0.000 1.080 58 E HN 0.349 nan 8.360 nan 0.000 0.512 59 D N 0.906 121.272 120.400 -0.056 0.000 2.451 59 D HA -0.093 4.546 4.640 -0.002 0.000 0.254 59 D C 1.292 177.549 176.300 -0.071 0.000 1.204 59 D CA -0.142 53.819 54.000 -0.065 0.000 0.896 59 D CB 0.726 41.476 40.800 -0.084 0.000 1.136 59 D HN 0.031 nan 8.370 nan 0.000 0.499 60 L N 4.706 125.893 121.223 -0.060 0.000 2.054 60 L HA -0.292 4.047 4.340 -0.002 0.000 0.220 60 L C 1.771 178.593 176.870 -0.081 0.000 1.081 60 L CA 1.885 56.686 54.840 -0.065 0.000 0.780 60 L CB -0.509 41.508 42.059 -0.071 0.000 0.893 60 L HN 0.716 nan 8.230 nan 0.000 0.438 61 L N -2.244 118.923 121.223 -0.094 0.000 1.961 61 L HA -0.231 4.108 4.340 -0.002 0.000 0.210 61 L C 2.538 179.342 176.870 -0.111 0.000 1.072 61 L CA 1.595 56.374 54.840 -0.102 0.000 0.749 61 L CB -1.091 40.912 42.059 -0.093 0.000 0.889 61 L HN 0.214 nan 8.230 nan 0.000 0.432 62 V N 0.149 119.973 119.914 -0.148 0.000 2.527 62 V HA -0.330 3.789 4.120 -0.002 0.000 0.255 62 V C 2.755 178.737 176.094 -0.187 0.000 1.081 62 V CA 1.846 64.002 62.300 -0.240 0.000 1.092 62 V CB -0.439 31.147 31.823 -0.396 0.000 0.673 62 V HN 0.402 nan 8.190 nan 0.000 0.470 63 R N -0.622 119.817 120.500 -0.103 0.000 2.052 63 R HA 0.034 4.373 4.340 -0.002 0.000 0.226 63 R C 2.282 178.567 176.300 -0.026 0.000 1.145 63 R CA 1.844 57.930 56.100 -0.024 0.000 0.952 63 R CB -0.420 29.874 30.300 -0.011 0.000 0.847 63 R HN 0.476 nan 8.270 nan 0.000 0.431 64 I N 1.275 121.815 120.570 -0.050 0.000 2.248 64 I HA -0.322 3.847 4.170 -0.002 0.000 0.248 64 I C 2.518 178.609 176.117 -0.044 0.000 1.107 64 I CA 1.210 62.480 61.300 -0.051 0.000 1.373 64 I CB -0.214 37.744 38.000 -0.070 0.000 1.055 64 I HN 0.223 nan 8.210 nan 0.000 0.418 65 L N 0.123 121.313 121.223 -0.055 0.000 2.083 65 L HA -0.233 4.106 4.340 -0.002 0.000 0.209 65 L C 2.459 179.318 176.870 -0.019 0.000 1.083 65 L CA 1.230 56.042 54.840 -0.046 0.000 0.752 65 L CB -0.082 41.932 42.059 -0.075 0.000 0.899 65 L HN 0.247 nan 8.230 nan 0.000 0.433 66 L N -0.747 120.474 121.223 -0.003 0.000 2.072 66 L HA -0.166 4.173 4.340 -0.002 0.000 0.205 66 L C 2.207 179.099 176.870 0.036 0.000 1.079 66 L CA 1.403 56.275 54.840 0.052 0.000 0.752 66 L CB -0.491 41.659 42.059 0.151 0.000 0.906 66 L HN 0.229 nan 8.230 nan 0.000 0.436 67 L N 0.264 121.497 121.223 0.017 0.000 2.081 67 L HA -0.145 4.194 4.340 -0.002 0.000 0.212 67 L C 2.371 179.240 176.870 -0.001 0.000 1.080 67 L CA 2.183 57.024 54.840 0.003 0.000 0.754 67 L CB -1.068 40.979 42.059 -0.021 0.000 0.893 67 L HN 0.290 nan 8.230 nan 0.000 0.433 68 A N -0.847 121.970 122.820 -0.004 0.000 2.016 68 A HA 0.175 4.494 4.320 -0.002 0.000 0.217 68 A C 2.328 179.936 177.584 0.040 0.000 1.162 68 A CA 1.002 53.041 52.037 0.004 0.000 0.662 68 A CB -0.880 18.117 19.000 -0.005 0.000 0.812 68 A HN 0.541 nan 8.150 nan 0.000 0.450 69 A N -1.550 121.294 122.820 0.039 0.000 2.216 69 A HA 0.016 4.334 4.320 -0.002 0.000 0.214 69 A C 1.946 179.574 177.584 0.072 0.000 1.160 69 A CA 1.354 53.421 52.037 0.050 0.000 0.725 69 A CB -0.803 18.213 19.000 0.028 0.000 0.784 69 A HN 0.569 nan 8.150 nan 0.000 0.472 70 C N -1.371 117.978 119.300 0.081 0.000 2.664 70 C HA 0.182 4.641 4.460 -0.002 0.000 0.285 70 C C 2.394 177.495 174.990 0.185 0.000 1.386 70 C CA 0.483 59.581 59.018 0.133 0.000 1.753 70 C CB -1.092 26.699 27.740 0.085 0.000 2.115 70 C HN 0.633 nan 8.230 nan 0.000 0.577 71 I N 1.432 122.072 120.570 0.116 0.000 2.229 71 I HA -0.293 3.876 4.170 -0.002 0.000 0.250 71 I C 2.677 178.900 176.117 0.176 0.000 1.096 71 I CA 2.007 63.384 61.300 0.129 0.000 1.358 71 I CB -0.580 37.443 38.000 0.038 0.000 1.047 71 I HN 0.391 nan 8.210 nan 0.000 0.422 72 S N 0.442 116.243 115.700 0.169 0.000 2.368 72 S HA -0.210 4.259 4.470 -0.002 0.000 0.225 72 S C 1.994 176.741 174.600 0.245 0.000 1.030 72 S CA 1.241 59.556 58.200 0.193 0.000 0.999 72 S CB -0.374 62.928 63.200 0.170 0.000 0.844 72 S HN 0.447 nan 8.310 nan 0.000 0.459 73 F N 1.962 121.953 119.950 0.068 0.000 2.146 73 F HA 0.012 4.538 4.527 -0.002 0.000 0.298 73 F C 2.102 177.993 175.800 0.152 0.000 1.096 73 F CA 1.230 59.239 58.000 0.015 0.000 1.275 73 F CB -0.600 38.352 39.000 -0.079 0.000 1.008 73 F HN 0.054 nan 8.300 nan 0.000 0.480 74 V N 0.567 120.568 119.914 0.145 0.000 2.358 74 V HA -0.287 3.832 4.120 -0.002 0.000 0.246 74 V C 2.437 178.614 176.094 0.137 0.000 1.047 74 V CA 1.851 64.192 62.300 0.068 0.000 1.035 74 V CB -0.651 31.212 31.823 0.068 0.000 0.658 74 V HN 0.347 nan 8.190 nan 0.000 0.452 75 L N 0.027 121.358 121.223 0.180 0.000 2.217 75 L HA -0.019 4.320 4.340 -0.002 0.000 0.211 75 L C 2.503 179.528 176.870 0.258 0.000 1.107 75 L CA 1.145 56.113 54.840 0.215 0.000 0.783 75 L CB -0.609 41.575 42.059 0.210 0.000 0.919 75 L HN 0.344 nan 8.230 nan 0.000 0.442 76 A N -1.565 121.427 122.820 0.288 0.000 2.209 76 A HA -0.190 4.129 4.320 -0.002 0.000 0.212 76 A C 1.852 179.700 177.584 0.439 0.000 1.158 76 A CA 0.674 52.949 52.037 0.396 0.000 0.742 76 A CB -0.476 18.878 19.000 0.589 0.000 0.790 76 A HN 0.613 nan 8.150 nan 0.000 0.472 77 W N -1.622 119.806 121.300 0.215 0.000 2.780 77 W HA 0.262 4.921 4.660 -0.002 0.000 0.272 77 W C 0.433 177.040 176.519 0.146 0.000 1.116 77 W CA 0.197 57.627 57.345 0.141 0.000 1.600 77 W CB 0.016 29.560 29.460 0.139 0.000 1.086 77 W HN 0.163 nan 8.180 nan 0.000 0.584 78 F N 2.636 122.717 119.950 0.219 0.000 2.678 78 F HA -0.007 4.519 4.527 -0.002 0.000 0.299 78 F C 1.812 177.582 175.800 -0.050 0.000 1.337 78 F CA 0.834 58.877 58.000 0.071 0.000 1.454 78 F CB -1.011 38.074 39.000 0.142 0.000 1.097 78 F HN -0.021 nan 8.300 nan 0.000 0.529 79 E N 0.727 120.911 120.200 -0.027 0.000 2.086 79 E HA -0.139 4.210 4.350 -0.002 0.000 0.190 79 E C 1.300 177.806 176.600 -0.156 0.000 0.975 79 E CA 1.376 57.739 56.400 -0.060 0.000 0.813 79 E CB 0.010 29.658 29.700 -0.086 0.000 0.768 79 E HN 0.487 nan 8.360 nan 0.000 0.457 80 E N -2.195 117.821 120.200 -0.307 0.000 3.912 80 E HA -0.201 4.148 4.350 -0.002 0.000 0.335 80 E C 0.085 176.543 176.600 -0.237 0.000 0.654 80 E CA 0.823 57.029 56.400 -0.323 0.000 1.177 80 E CB -1.677 27.866 29.700 -0.261 0.000 1.650 80 E HN 0.309 nan 8.360 nan 0.000 0.430 81 G N 0.886 109.574 108.800 -0.186 0.000 2.347 81 G HA2 0.315 4.274 3.960 -0.002 0.000 0.314 81 G HA3 0.315 4.274 3.960 -0.002 0.000 0.314 81 G C 0.825 175.631 174.900 -0.156 0.000 1.126 81 G CA 0.017 45.031 45.100 -0.143 0.000 0.929 81 G HN 0.120 nan 8.290 nan 0.000 0.441 82 E N 2.283 122.393 120.200 -0.151 0.000 2.204 82 E HA -0.189 4.160 4.350 -0.002 0.000 0.195 82 E C 0.743 177.270 176.600 -0.121 0.000 0.990 82 E CA 0.941 57.252 56.400 -0.149 0.000 0.821 82 E CB -0.116 29.507 29.700 -0.129 0.000 0.750 82 E HN 0.686 nan 8.360 nan 0.000 0.477 83 E N 1.220 121.363 120.200 -0.096 0.000 2.528 83 E HA 0.048 4.397 4.350 -0.002 0.000 0.237 83 E C -0.256 176.303 176.600 -0.069 0.000 1.408 83 E CA 0.571 56.926 56.400 -0.075 0.000 1.571 83 E CB -0.484 29.181 29.700 -0.058 0.000 1.395 83 E HN 0.382 nan 8.360 nan 0.000 0.438 84 T N -2.371 112.130 114.554 -0.088 0.000 4.152 84 T HA 0.149 4.498 4.350 -0.002 0.000 0.237 84 T C 0.271 174.910 174.700 -0.102 0.000 0.971 84 T CA -0.551 61.505 62.100 -0.074 0.000 1.328 84 T CB -0.414 68.418 68.868 -0.060 0.000 0.912 84 T HN 0.050 nan 8.240 nan 0.000 0.587 85 I N 2.705 123.211 120.570 -0.106 0.000 3.686 85 I HA 0.217 4.386 4.170 -0.002 0.000 0.308 85 I C 1.554 177.623 176.117 -0.080 0.000 1.254 85 I CA 0.465 61.687 61.300 -0.129 0.000 1.175 85 I CB -0.219 37.711 38.000 -0.118 0.000 1.009 85 I HN 0.665 nan 8.210 nan 0.000 0.459 86 T N -3.479 111.051 114.554 -0.039 0.000 3.084 86 T HA 0.387 4.736 4.350 -0.002 0.000 0.270 86 T C 1.591 176.340 174.700 0.083 0.000 1.008 86 T CA 0.280 62.385 62.100 0.009 0.000 0.900 86 T CB 0.038 68.891 68.868 -0.025 0.000 1.084 86 T HN 0.130 nan 8.240 nan 0.000 0.538 87 A N 0.617 123.487 122.820 0.084 0.000 2.121 87 A HA 0.263 4.582 4.320 -0.002 0.000 0.218 87 A C 1.418 179.251 177.584 0.415 0.000 1.154 87 A CA 0.565 52.712 52.037 0.183 0.000 0.679 87 A CB -0.851 18.222 19.000 0.121 0.000 0.795 87 A HN 0.499 nan 8.150 nan 0.000 0.458 88 F N -1.140 118.876 119.950 0.109 0.000 2.776 88 F HA 0.107 4.633 4.527 -0.002 0.000 0.300 88 F C 2.042 177.971 175.800 0.214 0.000 1.116 88 F CA -0.476 57.632 58.000 0.179 0.000 1.375 88 F CB -0.285 38.807 39.000 0.153 0.000 1.109 88 F HN 0.024 nan 8.300 nan 0.000 0.585 89 V N -0.257 119.857 119.914 0.333 0.000 2.244 89 V HA -0.273 3.846 4.120 -0.002 0.000 0.244 89 V C 2.421 178.685 176.094 0.283 0.000 1.042 89 V CA 2.067 64.543 62.300 0.294 0.000 1.006 89 V CB -0.520 31.403 31.823 0.167 0.000 0.641 89 V HN 0.249 nan 8.190 nan 0.000 0.446 90 E N 0.183 120.520 120.200 0.228 0.000 2.068 90 E HA -0.280 4.069 4.350 -0.002 0.000 0.207 90 E C -0.153 176.557 176.600 0.183 0.000 1.032 90 E CA 2.503 59.020 56.400 0.194 0.000 0.839 90 E CB -0.924 28.887 29.700 0.184 0.000 0.758 90 E HN 0.477 nan 8.360 nan 0.000 0.457 91 P HA -0.132 nan 4.420 nan 0.000 0.215 91 P C 1.163 178.555 177.300 0.154 0.000 1.157 91 P CA 1.073 64.275 63.100 0.170 0.000 0.863 91 P CB -0.229 31.598 31.700 0.211 0.000 0.787 92 F N 0.526 120.506 119.950 0.049 0.000 2.126 92 F HA -0.212 4.313 4.527 -0.002 0.000 0.299 92 F C 1.850 177.678 175.800 0.046 0.000 1.096 92 F CA 1.381 59.402 58.000 0.034 0.000 1.255 92 F CB -1.021 38.024 39.000 0.075 0.000 0.997 92 F HN -0.290 nan 8.300 nan 0.000 0.479 93 V N 0.908 120.805 119.914 -0.029 0.000 2.237 93 V HA -0.323 3.796 4.120 -0.002 0.000 0.245 93 V C 2.534 178.560 176.094 -0.113 0.000 1.046 93 V CA 2.141 64.371 62.300 -0.115 0.000 1.007 93 V CB -0.836 31.019 31.823 0.054 0.000 0.638 93 V HN 0.351 nan 8.190 nan 0.000 0.445 94 I N 0.001 120.555 120.570 -0.027 0.000 2.068 94 I HA -0.341 3.828 4.170 -0.002 0.000 0.238 94 I C 2.478 178.563 176.117 -0.054 0.000 1.046 94 I CA 2.056 63.343 61.300 -0.022 0.000 1.306 94 I CB -0.562 37.447 38.000 0.014 0.000 1.023 94 I HN 0.264 nan 8.210 nan 0.000 0.399 95 L N 0.114 121.301 121.223 -0.060 0.000 2.051 95 L HA -0.274 4.065 4.340 -0.002 0.000 0.214 95 L C 2.610 179.425 176.870 -0.092 0.000 1.076 95 L CA 1.414 56.225 54.840 -0.050 0.000 0.758 95 L CB -0.729 41.294 42.059 -0.060 0.000 0.890 95 L HN 0.316 nan 8.230 nan 0.000 0.433 96 L N -0.396 120.692 121.223 -0.225 0.000 2.012 96 L HA -0.260 4.079 4.340 -0.002 0.000 0.210 96 L C 2.516 179.314 176.870 -0.119 0.000 1.073 96 L CA 1.520 56.216 54.840 -0.239 0.000 0.748 96 L CB -0.370 41.451 42.059 -0.396 0.000 0.891 96 L HN 0.189 nan 8.230 nan 0.000 0.431 97 I N -0.555 119.954 120.570 -0.101 0.000 2.076 97 I HA -0.355 3.814 4.170 -0.002 0.000 0.237 97 I C 2.457 178.535 176.117 -0.065 0.000 1.059 97 I CA 1.467 62.724 61.300 -0.072 0.000 1.317 97 I CB -0.441 37.521 38.000 -0.063 0.000 1.037 97 I HN 0.186 nan 8.210 nan 0.000 0.398 98 L N 0.344 121.528 121.223 -0.064 0.000 1.991 98 L HA -0.309 4.030 4.340 -0.002 0.000 0.221 98 L C 2.639 179.525 176.870 0.027 0.000 1.079 98 L CA 1.502 56.288 54.840 -0.089 0.000 0.778 98 L CB -0.793 41.264 42.059 -0.005 0.000 0.893 98 L HN 0.264 nan 8.230 nan 0.000 0.437 99 I N 0.327 120.962 120.570 0.108 0.000 2.052 99 I HA -0.342 3.827 4.170 -0.002 0.000 0.235 99 I C 2.927 179.084 176.117 0.068 0.000 1.046 99 I CA 1.905 63.283 61.300 0.130 0.000 1.308 99 I CB -1.702 36.328 38.000 0.051 0.000 1.031 99 I HN 0.275 nan 8.210 nan 0.000 0.395 100 A N 1.096 123.920 122.820 0.008 0.000 1.985 100 A HA -0.302 4.016 4.320 -0.002 0.000 0.223 100 A C 2.122 179.708 177.584 0.003 0.000 1.189 100 A CA 2.360 54.393 52.037 -0.007 0.000 0.658 100 A CB -0.922 18.057 19.000 -0.034 0.000 0.820 100 A HN 0.558 nan 8.150 nan 0.000 0.464 101 N N 0.076 118.770 118.700 -0.011 0.000 2.028 101 N HA -0.145 4.594 4.740 -0.002 0.000 0.194 101 N C 2.035 177.563 175.510 0.029 0.000 1.050 101 N CA 1.838 54.874 53.050 -0.023 0.000 0.848 101 N CB -0.812 37.615 38.487 -0.100 0.000 1.038 101 N HN 0.472 nan 8.380 nan 0.000 0.423 102 A N 1.508 124.379 122.820 0.085 0.000 1.986 102 A HA -0.131 4.188 4.320 -0.002 0.000 0.220 102 A C 2.315 179.974 177.584 0.126 0.000 1.171 102 A CA 1.082 53.215 52.037 0.160 0.000 0.640 102 A CB -0.836 18.369 19.000 0.342 0.000 0.811 102 A HN 0.325 nan 8.150 nan 0.000 0.451 103 I N -0.831 119.800 120.570 0.100 0.000 2.361 103 I HA -0.212 3.957 4.170 -0.002 0.000 0.251 103 I C 2.221 178.405 176.117 0.113 0.000 1.133 103 I CA 1.037 62.390 61.300 0.089 0.000 1.413 103 I CB -0.412 37.611 38.000 0.039 0.000 1.073 103 I HN 0.177 nan 8.210 nan 0.000 0.424 104 V N 0.932 120.901 119.914 0.093 0.000 2.283 104 V HA -0.075 4.044 4.120 -0.002 0.000 0.239 104 V C 2.669 178.851 176.094 0.147 0.000 1.035 104 V CA 2.003 64.374 62.300 0.119 0.000 1.018 104 V CB -1.335 30.528 31.823 0.067 0.000 0.658 104 V HN 0.491 nan 8.190 nan 0.000 0.459 105 G N -0.124 108.733 108.800 0.096 0.000 2.517 105 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.222 105 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.222 105 G C 1.575 176.527 174.900 0.087 0.000 1.109 105 G CA 1.521 46.667 45.100 0.077 0.000 0.746 105 G HN 0.381 nan 8.290 nan 0.000 0.576 106 V N -0.566 119.420 119.914 0.120 0.000 2.488 106 V HA -0.033 4.086 4.120 -0.002 0.000 0.246 106 V C 2.207 178.387 176.094 0.143 0.000 1.046 106 V CA 1.390 63.760 62.300 0.116 0.000 1.053 106 V CB -0.402 31.500 31.823 0.132 0.000 0.679 106 V HN 0.681 nan 8.190 nan 0.000 0.458 107 W N 0.833 122.144 121.300 0.019 0.000 2.443 107 W HA -0.133 4.526 4.660 -0.002 0.000 0.296 107 W C 2.348 178.875 176.519 0.012 0.000 1.202 107 W CA 1.817 59.172 57.345 0.016 0.000 1.312 107 W CB -0.143 29.326 29.460 0.015 0.000 1.120 107 W HN 0.342 nan 8.180 nan 0.000 0.536 108 Q N 0.632 120.542 119.800 0.184 0.000 1.985 108 Q HA -0.295 4.044 4.340 -0.002 0.000 0.207 108 Q C 2.267 178.245 176.000 -0.036 0.000 0.996 108 Q CA 2.196 58.047 55.803 0.080 0.000 0.851 108 Q CB -0.712 28.087 28.738 0.101 0.000 0.921 108 Q HN 0.101 nan 8.270 nan 0.000 0.418 109 E N 0.981 121.170 120.200 -0.018 0.000 2.013 109 E HA -0.276 4.073 4.350 -0.002 0.000 0.202 109 E C 2.045 178.588 176.600 -0.095 0.000 1.018 109 E CA 1.651 58.026 56.400 -0.040 0.000 0.834 109 E CB -0.455 29.236 29.700 -0.016 0.000 0.770 109 E HN 0.361 nan 8.360 nan 0.000 0.459 110 R N 0.213 120.638 120.500 -0.124 0.000 2.228 110 R HA -0.204 4.135 4.340 -0.002 0.000 0.259 110 R C 1.492 177.647 176.300 -0.242 0.000 1.183 110 R CA 1.928 57.920 56.100 -0.181 0.000 1.002 110 R CB -0.163 29.999 30.300 -0.229 0.000 0.879 110 R HN 0.205 nan 8.270 nan 0.000 0.467 111 N N -0.257 118.272 118.700 -0.286 0.000 2.405 111 N HA 0.042 4.781 4.740 -0.002 0.000 0.175 111 N C 0.318 175.743 175.510 -0.141 0.000 1.051 111 N CA 0.775 53.668 53.050 -0.261 0.000 0.899 111 N CB 0.082 38.373 38.487 -0.326 0.000 1.000 111 N HN 0.201 nan 8.380 nan 0.000 0.451 112 A N 1.554 124.312 122.820 -0.104 0.000 2.346 112 A HA 0.339 4.658 4.320 -0.002 0.000 0.252 112 A C 0.405 177.953 177.584 -0.060 0.000 1.089 112 A CA -0.117 51.882 52.037 -0.062 0.000 0.797 112 A CB 0.345 19.320 19.000 -0.041 0.000 1.047 112 A HN 0.237 nan 8.150 nan 0.000 0.494 113 E N 0.967 121.141 120.200 -0.043 0.000 2.321 113 E HA 0.303 4.652 4.350 -0.002 0.000 0.278 113 E C -1.517 175.066 176.600 -0.028 0.000 0.902 113 E CA -0.901 55.475 56.400 -0.040 0.000 0.758 113 E CB 0.659 30.332 29.700 -0.046 0.000 1.213 113 E HN 0.685 nan 8.360 nan 0.000 0.426 114 N N 0.759 119.444 118.700 -0.025 0.000 2.483 114 N HA 0.397 5.136 4.740 -0.002 0.000 0.269 114 N C 0.662 176.164 175.510 -0.014 0.000 1.209 114 N CA -0.017 53.024 53.050 -0.016 0.000 0.969 114 N CB 1.169 39.648 38.487 -0.013 0.000 1.173 114 N HN 0.550 nan 8.380 nan 0.000 0.475 115 A N 0.825 123.642 122.820 -0.005 0.000 2.067 115 A HA 0.076 4.395 4.320 -0.002 0.000 0.217 115 A C 1.803 179.392 177.584 0.008 0.000 1.156 115 A CA 0.410 52.449 52.037 0.003 0.000 0.683 115 A CB -0.783 18.226 19.000 0.014 0.000 0.808 115 A HN 0.764 nan 8.150 nan 0.000 0.455 116 I N -0.076 120.497 120.570 0.005 0.000 2.916 116 I HA -0.190 3.979 4.170 -0.002 0.000 0.267 116 I C 2.390 178.508 176.117 0.001 0.000 1.263 116 I CA 1.519 62.825 61.300 0.009 0.000 1.471 116 I CB -0.116 37.889 38.000 0.007 0.000 1.089 116 I HN 0.603 nan 8.210 nan 0.000 0.468 117 E N 1.694 121.886 120.200 -0.014 0.000 2.166 117 E HA -0.077 4.272 4.350 -0.002 0.000 0.192 117 E C 2.255 178.823 176.600 -0.054 0.000 0.967 117 E CA 0.832 57.215 56.400 -0.029 0.000 0.840 117 E CB 0.103 29.783 29.700 -0.033 0.000 0.795 117 E HN 0.355 nan 8.360 nan 0.000 0.470 118 A N 1.700 124.486 122.820 -0.056 0.000 1.972 118 A HA -0.102 4.217 4.320 -0.002 0.000 0.219 118 A C 2.226 179.707 177.584 -0.172 0.000 1.169 118 A CA 0.877 52.850 52.037 -0.107 0.000 0.635 118 A CB -0.629 18.335 19.000 -0.061 0.000 0.810 118 A HN 0.326 nan 8.150 nan 0.000 0.446 119 L N -0.807 120.392 121.223 -0.041 0.000 2.131 119 L HA -0.152 4.186 4.340 -0.002 0.000 0.210 119 L C 1.681 178.550 176.870 -0.000 0.000 1.092 119 L CA 1.276 56.153 54.840 0.062 0.000 0.759 119 L CB -0.306 41.816 42.059 0.107 0.000 0.903 119 L HN 0.303 nan 8.230 nan 0.000 0.435 120 K N 0.053 120.423 120.400 -0.049 0.000 2.706 120 K HA -0.033 4.286 4.320 -0.002 0.000 0.217 120 K C 0.789 177.327 176.600 -0.103 0.000 1.019 120 K CA 0.125 56.388 56.287 -0.041 0.000 1.181 120 K CB 0.154 32.638 32.500 -0.027 0.000 0.940 120 K HN 0.215 nan 8.250 nan 0.000 0.491 121 E N -0.822 119.229 120.200 -0.248 0.000 2.473 121 E HA 0.016 4.365 4.350 -0.002 0.000 0.204 121 E C 0.551 176.983 176.600 -0.280 0.000 0.994 121 E CA 0.470 56.684 56.400 -0.309 0.000 0.945 121 E CB 0.306 29.727 29.700 -0.465 0.000 0.990 121 E HN 0.340 nan 8.360 nan 0.000 0.493 122 Y N 1.316 121.622 120.300 0.010 0.000 2.466 122 Y HA 0.204 4.753 4.550 -0.002 0.000 0.272 122 Y C 0.419 176.330 175.900 0.018 0.000 1.169 122 Y CA -0.143 57.966 58.100 0.015 0.000 1.285 122 Y CB 0.259 38.729 38.460 0.018 0.000 1.078 122 Y HN -0.122 nan 8.280 nan 0.000 0.523 123 E N 3.806 124.076 120.200 0.116 0.000 1.941 123 E HA 0.124 4.473 4.350 -0.002 0.000 0.275 123 E C -2.272 174.360 176.600 0.052 0.000 1.113 123 E CA -1.889 54.559 56.400 0.080 0.000 0.878 123 E CB 0.284 30.015 29.700 0.051 0.000 1.070 123 E HN 0.133 nan 8.360 nan 0.000 0.399 124 P HA -0.062 nan 4.420 nan 0.000 0.268 124 P C 0.286 177.601 177.300 0.026 0.000 1.205 124 P CA 0.175 63.299 63.100 0.039 0.000 0.771 124 P CB 1.293 33.019 31.700 0.043 0.000 0.858 125 E N 1.950 122.159 120.200 0.015 0.000 2.107 125 E HA -0.062 4.287 4.350 -0.002 0.000 0.191 125 E C 0.329 176.934 176.600 0.008 0.000 0.982 125 E CA 0.844 57.248 56.400 0.007 0.000 0.809 125 E CB 0.096 29.797 29.700 0.001 0.000 0.756 125 E HN 0.341 nan 8.360 nan 0.000 0.459 126 M N -0.166 119.441 119.600 0.010 0.000 2.724 126 M HA 0.552 5.031 4.480 -0.002 0.000 0.310 126 M C 0.152 176.460 176.300 0.014 0.000 1.217 126 M CA -0.666 54.639 55.300 0.009 0.000 0.894 126 M CB 1.606 34.209 32.600 0.004 0.000 1.719 126 M HN 0.071 nan 8.290 nan 0.000 0.479 127 G N 0.853 109.661 108.800 0.012 0.000 2.692 127 G HA2 0.663 4.622 3.960 -0.002 0.000 0.291 127 G HA3 0.663 4.622 3.960 -0.002 0.000 0.291 127 G C -1.676 173.232 174.900 0.013 0.000 1.423 127 G CA -0.748 44.362 45.100 0.017 0.000 0.843 127 G HN 0.544 nan 8.290 nan 0.000 0.486 128 K N 0.457 120.872 120.400 0.025 0.000 2.339 128 K HA 0.596 4.915 4.320 -0.002 0.000 0.264 128 K C -0.106 176.534 176.600 0.066 0.000 0.986 128 K CA -0.703 55.600 56.287 0.026 0.000 0.866 128 K CB 2.187 34.712 32.500 0.041 0.000 1.103 128 K HN 0.559 nan 8.250 nan 0.000 0.441 129 V N -0.101 119.833 119.914 0.032 0.000 3.158 129 V HA 0.600 4.719 4.120 -0.002 0.000 0.315 129 V C -1.270 174.854 176.094 0.050 0.000 1.148 129 V CA -0.900 61.457 62.300 0.095 0.000 1.042 129 V CB 1.247 33.096 31.823 0.044 0.000 1.101 129 V HN 0.653 nan 8.190 nan 0.000 0.448 130 Y N 0.596 120.883 120.300 -0.021 0.000 2.326 130 Y HA 0.767 5.316 4.550 -0.002 0.000 0.329 130 Y C 0.351 176.239 175.900 -0.021 0.000 0.973 130 Y CA -0.568 57.521 58.100 -0.018 0.000 1.162 130 Y CB 2.057 40.506 38.460 -0.017 0.000 1.147 130 Y HN 0.610 nan 8.280 nan 0.000 0.456 131 R N 0.861 121.396 120.500 0.058 0.000 2.888 131 R HA 0.649 4.988 4.340 -0.002 0.000 0.266 131 R C 0.514 176.829 176.300 0.026 0.000 1.020 131 R CA -0.632 55.487 56.100 0.032 0.000 0.963 131 R CB 1.583 31.883 30.300 -0.000 0.000 1.197 131 R HN 0.756 nan 8.270 nan 0.000 0.481 132 A N 0.832 123.662 122.820 0.017 0.000 2.125 132 A HA -0.162 4.157 4.320 -0.002 0.000 0.219 132 A C 0.792 178.379 177.584 0.005 0.000 1.156 132 A CA 1.820 53.866 52.037 0.015 0.000 0.671 132 A CB -0.716 18.290 19.000 0.009 0.000 0.794 132 A HN 0.828 nan 8.150 nan 0.000 0.459 133 D N -1.432 118.966 120.400 -0.004 0.000 2.519 133 D HA 0.303 4.942 4.640 -0.002 0.000 0.238 133 D C 0.439 176.730 176.300 -0.015 0.000 1.192 133 D CA -0.107 53.888 54.000 -0.008 0.000 0.835 133 D CB -0.055 40.739 40.800 -0.010 0.000 0.975 133 D HN 0.310 nan 8.370 nan 0.000 0.490 134 R N -1.304 119.187 120.500 -0.015 0.000 3.231 134 R HA 0.112 4.451 4.340 -0.002 0.000 0.279 134 R C -0.217 176.072 176.300 -0.018 0.000 0.990 134 R CA -0.688 55.396 56.100 -0.026 0.000 0.879 134 R CB 0.676 30.945 30.300 -0.052 0.000 1.289 134 R HN -0.105 nan 8.270 nan 0.000 0.529 135 K N 0.032 120.421 120.400 -0.017 0.000 2.276 135 K HA 0.110 4.429 4.320 -0.002 0.000 0.198 135 K C 0.575 177.170 176.600 -0.009 0.000 1.052 135 K CA 0.618 56.913 56.287 0.012 0.000 0.984 135 K CB 0.476 32.988 32.500 0.020 0.000 0.836 135 K HN 0.546 nan 8.250 nan 0.000 0.490 136 S N 0.751 116.403 115.700 -0.080 0.000 2.578 136 S HA 0.223 4.692 4.470 -0.002 0.000 0.283 136 S C 0.174 174.544 174.600 -0.385 0.000 1.195 136 S CA -1.041 57.066 58.200 -0.155 0.000 1.050 136 S CB 1.898 65.044 63.200 -0.091 0.000 1.012 136 S HN -0.017 nan 8.310 nan 0.000 0.511 137 V N 2.807 122.317 119.914 -0.672 0.000 2.584 137 V HA 0.027 4.146 4.120 -0.002 0.000 0.303 137 V C -0.106 175.759 176.094 -0.381 0.000 1.035 137 V CA 0.557 62.330 62.300 -0.878 0.000 1.172 137 V CB -0.282 31.147 31.823 -0.656 0.000 0.896 137 V HN 0.935 nan 8.190 nan 0.000 0.486 138 Q N 6.288 125.904 119.800 -0.306 0.000 2.256 138 Q HA 0.417 4.756 4.340 -0.002 0.000 0.254 138 Q C -0.178 175.759 176.000 -0.104 0.000 0.916 138 Q CA -0.411 55.299 55.803 -0.155 0.000 0.932 138 Q CB 1.388 30.058 28.738 -0.113 0.000 1.207 138 Q HN 0.728 nan 8.270 nan 0.000 0.426 139 R N 4.035 124.493 120.500 -0.070 0.000 2.287 139 R HA 0.288 4.627 4.340 -0.002 0.000 0.327 139 R C -0.316 175.968 176.300 -0.026 0.000 1.109 139 R CA -0.067 56.009 56.100 -0.041 0.000 1.013 139 R CB -0.086 30.194 30.300 -0.033 0.000 1.126 139 R HN 0.702 nan 8.270 nan 0.000 0.503 140 I N -1.040 119.520 120.570 -0.017 0.000 3.474 140 I HA 0.504 4.673 4.170 -0.002 0.000 0.294 140 I C -0.651 175.466 176.117 0.000 0.000 1.185 140 I CA -1.287 60.008 61.300 -0.007 0.000 1.003 140 I CB 1.353 39.352 38.000 -0.001 0.000 1.327 140 I HN 0.235 nan 8.210 nan 0.000 0.541 141 K N 1.474 121.876 120.400 0.003 0.000 2.258 141 K HA 0.388 4.707 4.320 -0.002 0.000 0.284 141 K C 0.829 177.438 176.600 0.014 0.000 1.051 141 K CA 0.083 56.372 56.287 0.003 0.000 0.923 141 K CB 1.762 34.257 32.500 -0.008 0.000 1.046 141 K HN 0.765 nan 8.250 nan 0.000 0.474 142 A N 3.983 126.814 122.820 0.018 0.000 1.894 142 A HA -0.324 3.995 4.320 -0.002 0.000 0.220 142 A C 2.150 179.759 177.584 0.041 0.000 1.237 142 A CA 2.340 54.394 52.037 0.029 0.000 0.660 142 A CB -0.636 18.383 19.000 0.030 0.000 0.835 142 A HN 0.981 nan 8.150 nan 0.000 0.461 143 R N -0.500 120.015 120.500 0.026 0.000 2.196 143 R HA -0.245 4.094 4.340 -0.002 0.000 0.259 143 R C 0.781 177.137 176.300 0.094 0.000 1.154 143 R CA 2.311 58.425 56.100 0.023 0.000 0.976 143 R CB -0.497 29.767 30.300 -0.061 0.000 0.888 143 R HN 0.621 nan 8.270 nan 0.000 0.453 144 D N -0.050 120.400 120.400 0.083 0.000 2.339 144 D HA 0.075 4.714 4.640 -0.002 0.000 0.217 144 D C 0.460 176.833 176.300 0.121 0.000 1.050 144 D CA 0.242 54.331 54.000 0.148 0.000 0.856 144 D CB 0.115 40.970 40.800 0.093 0.000 0.922 144 D HN 0.326 nan 8.370 nan 0.000 0.518 145 I N 0.848 121.472 120.570 0.089 0.000 2.779 145 I HA 0.071 4.240 4.170 -0.002 0.000 0.285 145 I C 0.372 176.535 176.117 0.076 0.000 1.134 145 I CA -0.213 61.124 61.300 0.062 0.000 1.398 145 I CB 1.210 39.232 38.000 0.037 0.000 1.404 145 I HN -0.341 nan 8.210 nan 0.000 0.587 146 V N 5.433 125.380 119.914 0.055 0.000 2.876 146 V HA 0.351 4.470 4.120 -0.002 0.000 0.312 146 V C -2.410 173.682 176.094 -0.002 0.000 1.085 146 V CA -1.898 60.453 62.300 0.086 0.000 0.945 146 V CB 2.328 34.252 31.823 0.169 0.000 1.017 146 V HN 0.567 nan 8.190 nan 0.000 0.428 147 P HA 0.313 nan 4.420 nan 0.000 0.267 147 P C 0.765 177.769 177.300 -0.493 0.000 1.209 147 P CA 1.339 64.245 63.100 -0.323 0.000 0.763 147 P CB 0.621 32.002 31.700 -0.530 0.000 0.816 148 G N 2.621 110.785 108.800 -1.060 0.000 2.307 148 G HA2 -0.166 3.793 3.960 -0.002 0.000 0.210 148 G HA3 -0.166 3.793 3.960 -0.002 0.000 0.210 148 G C -0.131 174.560 174.900 -0.348 0.000 1.005 148 G CA -0.020 44.395 45.100 -1.141 0.000 0.634 148 G HN 0.649 nan 8.290 nan 0.000 0.496 149 D N 1.254 121.546 120.400 -0.180 0.000 2.344 149 D HA 0.517 5.156 4.640 -0.002 0.000 0.244 149 D C 0.271 176.524 176.300 -0.079 0.000 1.134 149 D CA -0.739 53.209 54.000 -0.086 0.000 0.930 149 D CB 0.791 41.570 40.800 -0.035 0.000 1.175 149 D HN 0.144 nan 8.370 nan 0.000 0.437 150 I N 0.946 121.502 120.570 -0.023 0.000 2.471 150 I HA 0.167 4.335 4.170 -0.002 0.000 0.286 150 I C 0.062 176.205 176.117 0.043 0.000 1.079 150 I CA -0.262 61.029 61.300 -0.016 0.000 1.398 150 I CB 1.120 39.107 38.000 -0.022 0.000 1.403 150 I HN 0.214 nan 8.210 nan 0.000 0.530 151 V N 5.945 125.864 119.914 0.008 0.000 2.960 151 V HA 0.532 4.651 4.120 -0.002 0.000 0.315 151 V C -0.333 175.785 176.094 0.039 0.000 1.087 151 V CA -0.834 61.496 62.300 0.050 0.000 0.982 151 V CB 2.190 34.018 31.823 0.008 0.000 1.039 151 V HN 0.691 nan 8.190 nan 0.000 0.437 152 E N 1.086 121.342 120.200 0.095 0.000 2.272 152 E HA 0.718 5.067 4.350 -0.002 0.000 0.269 152 E C -1.629 175.003 176.600 0.053 0.000 0.877 152 E CA -0.488 55.957 56.400 0.076 0.000 0.755 152 E CB 2.328 32.148 29.700 0.200 0.000 1.192 152 E HN 0.629 nan 8.360 nan 0.000 0.422 153 V N -0.164 119.763 119.914 0.022 0.000 3.040 153 V HA 1.044 5.163 4.120 -0.002 0.000 0.312 153 V C -0.856 175.245 176.094 0.011 0.000 1.115 153 V CA -0.605 61.704 62.300 0.015 0.000 0.998 153 V CB 1.435 33.258 31.823 -0.001 0.000 1.042 153 V HN 0.777 nan 8.190 nan 0.000 0.433 154 A N 1.551 124.379 122.820 0.013 0.000 2.602 154 A HA 0.777 5.096 4.320 -0.002 0.000 0.290 154 A C 0.626 178.216 177.584 0.010 0.000 1.114 154 A CA 0.001 52.045 52.037 0.011 0.000 0.683 154 A CB 1.246 20.257 19.000 0.018 0.000 1.281 154 A HN 1.656 nan 8.150 nan 0.000 0.416 155 V N 0.840 120.759 119.914 0.009 0.000 2.310 155 V HA -0.430 3.689 4.120 -0.002 0.000 0.254 155 V C 2.507 178.609 176.094 0.013 0.000 1.078 155 V CA 3.341 65.647 62.300 0.010 0.000 1.104 155 V CB -1.170 30.659 31.823 0.011 0.000 0.786 155 V HN 1.376 nan 8.190 nan 0.000 0.469 156 G N -0.683 108.126 108.800 0.015 0.000 2.464 156 G HA2 -0.074 3.885 3.960 -0.002 0.000 0.217 156 G HA3 -0.074 3.885 3.960 -0.002 0.000 0.217 156 G C 0.328 175.240 174.900 0.020 0.000 1.138 156 G CA 0.410 45.521 45.100 0.017 0.000 0.793 156 G HN 0.604 nan 8.290 nan 0.000 0.539 157 D N 0.398 120.810 120.400 0.019 0.000 2.478 157 D HA 0.090 4.729 4.640 -0.002 0.000 0.234 157 D C 0.265 176.581 176.300 0.026 0.000 1.154 157 D CA 0.519 54.532 54.000 0.022 0.000 0.874 157 D CB 1.062 41.874 40.800 0.019 0.000 1.198 157 D HN 0.192 nan 8.370 nan 0.000 0.455 158 K N 1.352 121.772 120.400 0.033 0.000 2.253 158 K HA 0.251 4.570 4.320 -0.002 0.000 0.277 158 K C -0.829 175.794 176.600 0.039 0.000 1.053 158 K CA -0.712 55.602 56.287 0.045 0.000 0.892 158 K CB 0.702 33.240 32.500 0.062 0.000 1.102 158 K HN 0.115 nan 8.250 nan 0.000 0.469 159 V N 7.886 127.819 119.914 0.031 0.000 2.506 159 V HA -0.021 4.098 4.120 -0.002 0.000 0.296 159 V C -1.154 174.961 176.094 0.036 0.000 1.004 159 V CA -0.712 61.601 62.300 0.021 0.000 1.150 159 V CB 0.663 32.490 31.823 0.007 0.000 0.911 159 V HN 0.882 nan 8.190 nan 0.000 0.476 160 P HA 0.151 nan 4.420 nan 0.000 0.236 160 P C 0.207 177.529 177.300 0.036 0.000 1.177 160 P CA 1.076 64.198 63.100 0.036 0.000 0.773 160 P CB 0.670 32.387 31.700 0.028 0.000 0.878 161 A N -0.692 122.143 122.820 0.025 0.000 2.540 161 A HA 0.429 4.748 4.320 -0.002 0.000 0.291 161 A C -1.672 175.922 177.584 0.016 0.000 1.083 161 A CA -0.612 51.440 52.037 0.025 0.000 0.650 161 A CB 0.004 19.007 19.000 0.006 0.000 1.292 161 A HN -0.231 nan 8.150 nan 0.000 0.435 162 D N 1.147 121.565 120.400 0.030 0.000 2.344 162 D HA 0.486 5.125 4.640 -0.002 0.000 0.253 162 D C -0.545 175.732 176.300 -0.037 0.000 1.255 162 D CA 0.935 54.953 54.000 0.031 0.000 0.894 162 D CB 0.031 40.888 40.800 0.096 0.000 1.067 162 D HN 0.385 nan 8.370 nan 0.000 0.492 163 I N 2.292 122.808 120.570 -0.090 0.000 2.404 163 I HA 0.303 4.472 4.170 -0.002 0.000 0.293 163 I C 0.330 176.375 176.117 -0.120 0.000 0.992 163 I CA -1.136 60.103 61.300 -0.103 0.000 1.149 163 I CB 1.632 39.574 38.000 -0.096 0.000 1.315 163 I HN 0.010 nan 8.210 nan 0.000 0.446 164 R N 6.714 127.161 120.500 -0.088 0.000 2.308 164 R HA 0.488 4.827 4.340 -0.002 0.000 0.305 164 R C -0.973 175.283 176.300 -0.073 0.000 1.053 164 R CA -0.158 55.899 56.100 -0.070 0.000 0.957 164 R CB 0.460 30.737 30.300 -0.038 0.000 1.022 164 R HN 0.518 nan 8.270 nan 0.000 0.461 165 I N 6.518 127.044 120.570 -0.073 0.000 2.496 165 I HA 0.016 4.185 4.170 -0.002 0.000 0.285 165 I C 0.904 176.992 176.117 -0.047 0.000 1.080 165 I CA -0.069 61.192 61.300 -0.065 0.000 1.404 165 I CB 0.893 38.854 38.000 -0.065 0.000 1.403 165 I HN 0.641 nan 8.210 nan 0.000 0.539 166 L N 4.432 125.624 121.223 -0.052 0.000 2.221 166 L HA 0.121 4.460 4.340 -0.002 0.000 0.202 166 L C 0.564 177.410 176.870 -0.040 0.000 1.074 166 L CA 0.547 55.360 54.840 -0.045 0.000 0.795 166 L CB 0.083 42.108 42.059 -0.057 0.000 0.960 166 L HN 0.801 nan 8.230 nan 0.000 0.458 167 S N -0.806 114.865 115.700 -0.048 0.000 2.570 167 S HA 0.444 4.913 4.470 -0.002 0.000 0.286 167 S C -0.984 173.591 174.600 -0.040 0.000 1.143 167 S CA -0.785 57.392 58.200 -0.039 0.000 0.921 167 S CB 0.962 64.135 63.200 -0.044 0.000 1.108 167 S HN 0.065 nan 8.310 nan 0.000 0.456 168 I N 4.130 124.685 120.570 -0.025 0.000 2.304 168 I HA 0.333 4.502 4.170 -0.002 0.000 0.291 168 I C 0.988 177.094 176.117 -0.019 0.000 1.018 168 I CA -0.869 60.416 61.300 -0.024 0.000 1.260 168 I CB 1.169 39.160 38.000 -0.015 0.000 1.390 168 I HN 0.628 nan 8.210 nan 0.000 0.475 169 K N 3.381 123.768 120.400 -0.023 0.000 2.007 169 K HA -0.002 4.317 4.320 -0.002 0.000 0.206 169 K C 1.071 177.666 176.600 -0.009 0.000 1.047 169 K CA 0.734 57.010 56.287 -0.018 0.000 0.937 169 K CB -0.549 31.940 32.500 -0.018 0.000 0.718 169 K HN 0.708 nan 8.250 nan 0.000 0.438 170 S N 1.051 116.747 115.700 -0.007 0.000 2.573 170 S HA -0.009 4.460 4.470 -0.002 0.000 0.277 170 S C 1.400 176.001 174.600 0.000 0.000 1.346 170 S CA 0.270 58.469 58.200 -0.002 0.000 1.034 170 S CB 0.679 63.879 63.200 -0.001 0.000 0.879 170 S HN 0.434 nan 8.310 nan 0.000 0.528 171 T N -1.303 113.254 114.554 0.004 0.000 2.869 171 T HA 0.028 4.377 4.350 -0.002 0.000 0.270 171 T C 0.812 175.521 174.700 0.015 0.000 1.082 171 T CA 1.487 63.592 62.100 0.008 0.000 1.123 171 T CB -0.594 68.281 68.868 0.010 0.000 0.856 171 T HN 0.839 nan 8.240 nan 0.000 0.499 172 T N -0.273 114.286 114.554 0.009 0.000 2.840 172 T HA 0.561 4.910 4.350 -0.002 0.000 0.317 172 T C -2.443 172.248 174.700 -0.015 0.000 1.401 172 T CA -0.861 61.242 62.100 0.004 0.000 1.028 172 T CB 1.676 70.556 68.868 0.020 0.000 1.317 172 T HN 0.194 nan 8.240 nan 0.000 0.495 173 L N 3.232 124.429 121.223 -0.042 0.000 2.385 173 L HA 0.838 5.177 4.340 -0.002 0.000 0.273 173 L C -1.088 175.750 176.870 -0.052 0.000 0.990 173 L CA -0.439 54.371 54.840 -0.049 0.000 0.821 173 L CB 1.543 43.561 42.059 -0.068 0.000 1.279 173 L HN 0.533 nan 8.230 nan 0.000 0.412 174 R N 3.654 124.137 120.500 -0.029 0.000 2.686 174 R HA 0.855 5.194 4.340 -0.002 0.000 0.286 174 R C -1.537 174.755 176.300 -0.014 0.000 0.969 174 R CA -0.807 55.282 56.100 -0.017 0.000 0.898 174 R CB 2.139 32.440 30.300 0.001 0.000 1.183 174 R HN 0.420 nan 8.270 nan 0.000 0.456 175 V N 0.649 120.558 119.914 -0.008 0.000 2.789 175 V HA 0.252 4.371 4.120 -0.002 0.000 0.311 175 V C -0.660 175.444 176.094 0.016 0.000 1.073 175 V CA -1.016 61.284 62.300 -0.000 0.000 0.921 175 V CB 2.469 34.286 31.823 -0.011 0.000 1.009 175 V HN 0.640 nan 8.190 nan 0.000 0.426 176 D N 2.651 123.063 120.400 0.019 0.000 2.479 176 D HA 0.259 4.898 4.640 -0.002 0.000 0.218 176 D C 0.493 176.807 176.300 0.024 0.000 1.131 176 D CA -0.123 53.890 54.000 0.021 0.000 0.916 176 D CB 0.913 41.725 40.800 0.020 0.000 1.022 176 D HN 0.569 nan 8.370 nan 0.000 0.515 177 Q N 1.956 121.777 119.800 0.035 0.000 2.244 177 Q HA 0.057 4.396 4.340 -0.002 0.000 0.239 177 Q C 1.338 177.335 176.000 -0.005 0.000 0.890 177 Q CA -0.143 55.685 55.803 0.042 0.000 0.964 177 Q CB 0.327 29.127 28.738 0.104 0.000 1.076 177 Q HN 0.539 nan 8.270 nan 0.000 0.447 178 S N 0.672 116.365 115.700 -0.012 0.000 2.383 178 S HA -0.167 4.302 4.470 -0.002 0.000 0.227 178 S C 1.941 176.504 174.600 -0.060 0.000 1.026 178 S CA 0.949 59.136 58.200 -0.022 0.000 0.981 178 S CB -0.538 62.661 63.200 -0.002 0.000 0.818 178 S HN 0.547 nan 8.310 nan 0.000 0.472 179 I N -0.222 120.278 120.570 -0.116 0.000 2.850 179 I HA 0.083 4.252 4.170 -0.002 0.000 0.266 179 I C 1.817 177.788 176.117 -0.243 0.000 1.257 179 I CA 0.892 62.048 61.300 -0.241 0.000 1.465 179 I CB -0.633 37.008 38.000 -0.599 0.000 1.091 179 I HN 0.232 nan 8.210 nan 0.000 0.467 180 L N 0.261 121.384 121.223 -0.166 0.000 2.189 180 L HA 0.018 4.357 4.340 -0.002 0.000 0.199 180 L C 2.594 179.402 176.870 -0.104 0.000 1.074 180 L CA 1.515 56.262 54.840 -0.155 0.000 0.783 180 L CB -0.528 41.434 42.059 -0.162 0.000 0.955 180 L HN 0.504 nan 8.230 nan 0.000 0.460 181 T N -4.736 109.776 114.554 -0.070 0.000 3.023 181 T HA 0.282 4.631 4.350 -0.002 0.000 0.249 181 T C 1.393 176.080 174.700 -0.022 0.000 1.050 181 T CA 0.782 62.857 62.100 -0.042 0.000 1.088 181 T CB 1.115 69.967 68.868 -0.027 0.000 0.946 181 T HN 0.447 nan 8.240 nan 0.000 0.480 182 G N 2.087 110.875 108.800 -0.020 0.000 2.424 182 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.207 182 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.207 182 G C -0.001 174.902 174.900 0.005 0.000 1.061 182 G CA -0.003 45.096 45.100 -0.003 0.000 0.657 182 G HN 1.008 nan 8.290 nan 0.000 0.508 183 E N 0.959 121.161 120.200 0.005 0.000 2.414 183 E HA 0.550 4.899 4.350 -0.002 0.000 0.263 183 E C 0.862 177.469 176.600 0.010 0.000 1.000 183 E CA 0.515 56.920 56.400 0.009 0.000 0.914 183 E CB 1.542 31.246 29.700 0.008 0.000 0.948 183 E HN 0.242 nan 8.360 nan 0.000 0.444 184 S N 2.765 118.473 115.700 0.013 0.000 2.548 184 S HA 0.028 4.497 4.470 -0.002 0.000 0.215 184 S C 0.332 174.942 174.600 0.016 0.000 0.976 184 S CA -0.408 57.801 58.200 0.015 0.000 0.908 184 S CB 0.119 63.329 63.200 0.018 0.000 0.781 184 S HN 0.443 nan 8.310 nan 0.000 0.519 185 V N 4.274 124.197 119.914 0.014 0.000 2.452 185 V HA 0.078 4.197 4.120 -0.002 0.000 0.286 185 V C 0.825 176.933 176.094 0.024 0.000 0.995 185 V CA -0.043 62.266 62.300 0.016 0.000 1.116 185 V CB -0.481 31.349 31.823 0.012 0.000 0.954 185 V HN 0.618 nan 8.190 nan 0.000 0.473 186 S N 5.591 121.305 115.700 0.024 0.000 2.573 186 S HA 0.446 4.915 4.470 -0.002 0.000 0.277 186 S C -0.352 174.268 174.600 0.034 0.000 1.346 186 S CA -0.703 57.513 58.200 0.026 0.000 1.034 186 S CB 1.235 64.448 63.200 0.021 0.000 0.879 186 S HN 0.540 nan 8.310 nan 0.000 0.528 187 V N 2.081 122.013 119.914 0.031 0.000 2.864 187 V HA 0.490 4.609 4.120 -0.002 0.000 0.314 187 V C -0.018 176.079 176.094 0.006 0.000 1.073 187 V CA -1.055 61.268 62.300 0.038 0.000 0.956 187 V CB 1.498 33.352 31.823 0.052 0.000 1.023 187 V HN 0.914 nan 8.190 nan 0.000 0.435 188 I N 3.309 123.879 120.570 0.000 0.000 2.395 188 I HA 0.389 4.558 4.170 -0.002 0.000 0.289 188 I C 0.171 176.174 176.117 -0.190 0.000 1.023 188 I CA -0.365 60.884 61.300 -0.085 0.000 1.350 188 I CB 0.840 38.806 38.000 -0.057 0.000 1.409 188 I HN 0.476 nan 8.210 nan 0.000 0.507 189 K N 5.309 125.554 120.400 -0.260 0.000 2.166 189 K HA 0.577 4.896 4.320 -0.002 0.000 0.245 189 K C -0.472 175.844 176.600 -0.475 0.000 0.967 189 K CA -0.748 55.381 56.287 -0.264 0.000 0.863 189 K CB 1.766 34.175 32.500 -0.152 0.000 1.107 189 K HN 0.490 nan 8.250 nan 0.000 0.436 190 H N -0.818 118.239 119.070 -0.022 0.000 3.436 190 H HA 0.364 4.919 4.556 -0.002 0.000 0.312 190 H C 0.245 175.550 175.328 -0.039 0.000 1.675 190 H CA -0.432 55.600 56.048 -0.028 0.000 1.361 190 H CB 1.663 31.398 29.762 -0.044 0.000 1.731 190 H HN 0.461 nan 8.280 nan 0.000 0.732 191 T N -0.429 114.203 114.554 0.130 0.000 3.028 191 T HA 0.051 4.400 4.350 -0.002 0.000 0.250 191 T C -0.148 174.560 174.700 0.013 0.000 0.979 191 T CA -0.095 62.028 62.100 0.039 0.000 1.004 191 T CB 0.374 69.255 68.868 0.022 0.000 1.120 191 T HN 0.549 nan 8.240 nan 0.000 0.482 192 E N 3.846 124.044 120.200 -0.003 0.000 2.467 192 E HA 0.130 4.479 4.350 -0.002 0.000 0.264 192 E C -2.511 174.075 176.600 -0.023 0.000 1.020 192 E CA -1.318 55.062 56.400 -0.034 0.000 0.945 192 E CB -0.134 29.517 29.700 -0.082 0.000 0.942 192 E HN 0.236 nan 8.360 nan 0.000 0.449 193 P HA 0.005 nan 4.420 nan 0.000 0.274 193 P C -0.609 176.686 177.300 -0.009 0.000 1.237 193 P CA -0.424 62.664 63.100 -0.020 0.000 0.793 193 P CB 0.797 32.474 31.700 -0.037 0.000 0.977 194 V N 4.247 124.179 119.914 0.030 0.000 2.328 194 V HA 0.126 4.245 4.120 -0.002 0.000 0.278 194 V C -1.293 174.835 176.094 0.057 0.000 1.021 194 V CA -1.564 60.778 62.300 0.070 0.000 0.838 194 V CB 0.755 32.686 31.823 0.180 0.000 0.999 194 V HN 0.502 nan 8.190 nan 0.000 0.447 195 P HA -0.184 nan 4.420 nan 0.000 0.211 195 P C 0.588 177.907 177.300 0.033 0.000 1.181 195 P CA 1.029 64.132 63.100 0.006 0.000 0.929 195 P CB 0.033 31.731 31.700 -0.002 0.000 0.789 196 D N -0.723 119.715 120.400 0.064 0.000 2.581 196 D HA -0.076 4.563 4.640 -0.002 0.000 0.238 196 D C -1.696 174.723 176.300 0.198 0.000 1.145 196 D CA -0.599 53.455 54.000 0.091 0.000 0.866 196 D CB 0.488 41.334 40.800 0.076 0.000 1.151 196 D HN 0.093 nan 8.370 nan 0.000 0.500 197 P HA 0.122 nan 4.420 nan 0.000 0.245 197 P C 0.381 177.822 177.300 0.235 0.000 1.203 197 P CA 0.414 63.617 63.100 0.172 0.000 0.792 197 P CB 0.409 32.130 31.700 0.035 0.000 0.997 198 R N -0.501 120.079 120.500 0.133 0.000 2.507 198 R HA 0.441 4.780 4.340 -0.002 0.000 0.298 198 R C 0.407 176.715 176.300 0.012 0.000 0.999 198 R CA -0.373 55.765 56.100 0.063 0.000 1.082 198 R CB 0.344 30.666 30.300 0.037 0.000 1.246 198 R HN 0.043 nan 8.270 nan 0.000 0.553 199 A N 1.421 124.238 122.820 -0.006 0.000 2.462 199 A HA 0.267 4.586 4.320 -0.002 0.000 0.243 199 A C 0.810 178.312 177.584 -0.136 0.000 1.076 199 A CA -0.458 51.534 52.037 -0.076 0.000 0.773 199 A CB 0.287 19.239 19.000 -0.080 0.000 1.010 199 A HN 0.184 nan 8.150 nan 0.000 0.493 200 V N 1.528 121.396 119.914 -0.078 0.000 2.811 200 V HA 0.115 4.234 4.120 -0.002 0.000 0.302 200 V C 1.143 177.190 176.094 -0.078 0.000 1.063 200 V CA -0.361 61.891 62.300 -0.079 0.000 1.088 200 V CB 0.164 31.961 31.823 -0.042 0.000 0.982 200 V HN 0.868 nan 8.190 nan 0.000 0.485 201 N N 1.825 120.463 118.700 -0.103 0.000 2.091 201 N HA -0.272 4.467 4.740 -0.002 0.000 0.193 201 N C 1.686 177.244 175.510 0.080 0.000 1.021 201 N CA 2.182 55.207 53.050 -0.042 0.000 0.862 201 N CB -0.451 37.788 38.487 -0.413 0.000 1.018 201 N HN 0.973 nan 8.380 nan 0.000 0.429 202 Q N 0.540 120.352 119.800 0.020 0.000 2.217 202 Q HA -0.159 4.180 4.340 -0.002 0.000 0.209 202 Q C -0.114 175.938 176.000 0.085 0.000 0.988 202 Q CA 1.543 57.385 55.803 0.065 0.000 0.878 202 Q CB 0.102 28.868 28.738 0.047 0.000 0.909 202 Q HN 0.259 nan 8.270 nan 0.000 0.424 203 D N -0.311 120.123 120.400 0.055 0.000 2.463 203 D HA 0.092 4.731 4.640 -0.002 0.000 0.224 203 D C -0.636 175.689 176.300 0.042 0.000 1.174 203 D CA 0.172 54.201 54.000 0.048 0.000 0.829 203 D CB 0.453 41.271 40.800 0.029 0.000 0.993 203 D HN 0.153 nan 8.370 nan 0.000 0.497 204 K N 1.180 121.620 120.400 0.067 0.000 2.265 204 K HA 0.203 4.522 4.320 -0.002 0.000 0.242 204 K C 1.122 177.746 176.600 0.041 0.000 1.137 204 K CA -0.187 56.135 56.287 0.058 0.000 1.082 204 K CB 0.949 33.510 32.500 0.102 0.000 1.731 204 K HN -0.129 nan 8.250 nan 0.000 0.392 205 K N 0.695 121.122 120.400 0.044 0.000 2.283 205 K HA -0.120 4.199 4.320 -0.002 0.000 0.202 205 K C 0.813 177.409 176.600 -0.006 0.000 1.048 205 K CA 1.121 57.427 56.287 0.032 0.000 0.948 205 K CB 0.013 32.562 32.500 0.082 0.000 0.742 205 K HN 0.441 nan 8.250 nan 0.000 0.458 206 N N -0.001 118.697 118.700 -0.003 0.000 2.279 206 N HA 0.065 4.804 4.740 -0.002 0.000 0.226 206 N C -0.224 175.235 175.510 -0.086 0.000 1.126 206 N CA -0.107 52.928 53.050 -0.024 0.000 0.846 206 N CB 0.242 38.733 38.487 0.008 0.000 1.050 206 N HN -0.083 nan 8.380 nan 0.000 0.502 207 M N 0.508 120.005 119.600 -0.173 0.000 2.602 207 M HA 0.504 4.983 4.480 -0.002 0.000 0.312 207 M C -1.590 174.382 176.300 -0.545 0.000 1.181 207 M CA -0.879 54.220 55.300 -0.336 0.000 0.910 207 M CB 2.024 34.388 32.600 -0.393 0.000 1.723 207 M HN -0.002 nan 8.290 nan 0.000 0.459 208 L N 4.366 125.276 121.223 -0.522 0.000 2.343 208 L HA 0.483 4.822 4.340 -0.002 0.000 0.278 208 L C -1.378 175.206 176.870 -0.477 0.000 0.996 208 L CA -0.523 54.044 54.840 -0.455 0.000 0.831 208 L CB 0.938 42.870 42.059 -0.211 0.000 1.232 208 L HN 0.583 nan 8.230 nan 0.000 0.413 209 F N 1.035 120.969 119.950 -0.025 0.000 2.410 209 F HA 0.163 4.689 4.527 -0.002 0.000 0.348 209 F C 1.213 176.996 175.800 -0.028 0.000 1.106 209 F CA -0.237 57.745 58.000 -0.030 0.000 1.163 209 F CB 1.296 40.269 39.000 -0.044 0.000 1.129 209 F HN 0.374 nan 8.300 nan 0.000 0.516 210 S N 2.066 117.868 115.700 0.170 0.000 2.544 210 S HA 0.395 4.864 4.470 -0.002 0.000 0.290 210 S C 0.979 175.635 174.600 0.093 0.000 1.276 210 S CA 0.770 59.030 58.200 0.100 0.000 1.075 210 S CB -0.179 63.073 63.200 0.088 0.000 0.849 210 S HN 1.148 nan 8.310 nan 0.000 0.494 211 G N 3.313 112.157 108.800 0.073 0.000 2.436 211 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.204 211 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.204 211 G C 0.396 175.294 174.900 -0.002 0.000 1.026 211 G CA 0.273 45.393 45.100 0.034 0.000 0.658 211 G HN 1.433 nan 8.290 nan 0.000 0.499 212 T N 0.417 114.985 114.554 0.024 0.000 2.766 212 T HA 0.560 4.909 4.350 -0.002 0.000 0.295 212 T C -0.033 174.685 174.700 0.029 0.000 1.024 212 T CA 0.183 62.297 62.100 0.023 0.000 1.018 212 T CB 1.283 70.192 68.868 0.068 0.000 1.002 212 T HN 0.357 nan 8.240 nan 0.000 0.532 213 N N 0.839 119.554 118.700 0.025 0.000 2.314 213 N HA 0.331 5.070 4.740 -0.002 0.000 0.304 213 N C -0.653 174.866 175.510 0.014 0.000 1.073 213 N CA -0.730 52.335 53.050 0.025 0.000 0.822 213 N CB 1.510 40.016 38.487 0.031 0.000 1.280 213 N HN 0.514 nan 8.380 nan 0.000 0.489 214 I N 1.914 122.490 120.570 0.010 0.000 2.505 214 I HA 0.013 4.182 4.170 -0.002 0.000 0.287 214 I C 1.576 177.697 176.117 0.007 0.000 1.104 214 I CA 0.157 61.458 61.300 0.002 0.000 1.387 214 I CB 0.032 38.032 38.000 -0.000 0.000 1.404 214 I HN 0.621 nan 8.210 nan 0.000 0.528 215 A N 6.302 129.125 122.820 0.006 0.000 1.855 215 A HA 0.443 4.762 4.320 -0.002 0.000 0.213 215 A C 1.036 178.626 177.584 0.009 0.000 1.195 215 A CA 1.094 53.137 52.037 0.010 0.000 0.610 215 A CB 0.039 19.046 19.000 0.012 0.000 0.837 215 A HN 0.747 nan 8.150 nan 0.000 0.444 216 A N -2.415 120.408 122.820 0.005 0.000 2.486 216 A HA 0.662 4.981 4.320 -0.002 0.000 0.300 216 A C 0.350 177.933 177.584 -0.001 0.000 1.048 216 A CA 0.141 52.181 52.037 0.005 0.000 0.696 216 A CB 0.567 19.573 19.000 0.010 0.000 1.278 216 A HN 2.259 nan 8.150 nan 0.000 0.405 217 G N 0.476 109.277 108.800 0.002 0.000 2.526 217 G HA2 0.308 4.267 3.960 -0.002 0.000 0.250 217 G HA3 0.308 4.267 3.960 -0.002 0.000 0.250 217 G C -0.528 174.370 174.900 -0.003 0.000 1.289 217 G CA -0.036 45.063 45.100 -0.002 0.000 0.947 217 G HN 1.582 nan 8.290 nan 0.000 0.517 218 K N -0.689 119.707 120.400 -0.006 0.000 2.543 218 K HA 0.767 5.086 4.320 -0.002 0.000 0.255 218 K C -0.487 176.104 176.600 -0.016 0.000 0.934 218 K CA 0.010 56.293 56.287 -0.006 0.000 0.810 218 K CB 1.532 34.034 32.500 0.003 0.000 1.315 218 K HN 2.245 nan 8.250 nan 0.000 0.433 219 A N 2.760 125.566 122.820 -0.022 0.000 2.602 219 A HA 0.761 5.079 4.320 -0.002 0.000 0.290 219 A C -2.208 175.348 177.584 -0.046 0.000 1.114 219 A CA -0.782 51.233 52.037 -0.037 0.000 0.683 219 A CB 1.598 20.572 19.000 -0.043 0.000 1.281 219 A HN 0.589 nan 8.150 nan 0.000 0.416 220 L N 0.044 121.226 121.223 -0.068 0.000 2.381 220 L HA 0.893 5.232 4.340 -0.002 0.000 0.268 220 L C 0.177 176.996 176.870 -0.085 0.000 0.997 220 L CA 0.544 55.327 54.840 -0.095 0.000 0.818 220 L CB 2.054 44.019 42.059 -0.157 0.000 1.310 220 L HN 1.319 nan 8.230 nan 0.000 0.416 221 G N 3.696 112.448 108.800 -0.081 0.000 2.727 221 G HA2 0.508 4.467 3.960 -0.002 0.000 0.289 221 G HA3 0.508 4.467 3.960 -0.002 0.000 0.289 221 G C -2.006 172.846 174.900 -0.080 0.000 1.418 221 G CA -0.620 44.434 45.100 -0.076 0.000 0.818 221 G HN 0.740 nan 8.290 nan 0.000 0.486 222 I N 0.769 121.287 120.570 -0.086 0.000 2.406 222 I HA 0.506 4.675 4.170 -0.002 0.000 0.290 222 I C -0.324 175.699 176.117 -0.156 0.000 0.999 222 I CA -0.937 60.292 61.300 -0.119 0.000 1.124 222 I CB 1.699 39.639 38.000 -0.100 0.000 1.289 222 I HN 0.221 nan 8.210 nan 0.000 0.441 223 V N 8.715 128.507 119.914 -0.203 0.000 2.450 223 V HA 0.049 4.168 4.120 -0.002 0.000 0.281 223 V C 1.171 177.092 176.094 -0.289 0.000 1.019 223 V CA 0.872 63.050 62.300 -0.204 0.000 1.062 223 V CB 0.511 32.226 31.823 -0.181 0.000 0.979 223 V HN 0.994 nan 8.190 nan 0.000 0.477 224 A N 5.110 127.843 122.820 -0.144 0.000 1.850 224 A HA 0.173 4.492 4.320 -0.002 0.000 0.212 224 A C 1.142 178.707 177.584 -0.032 0.000 1.208 224 A CA 1.267 53.274 52.037 -0.050 0.000 0.609 224 A CB -0.031 18.967 19.000 -0.003 0.000 0.860 224 A HN 0.813 nan 8.150 nan 0.000 0.448 225 T N -4.439 110.090 114.554 -0.041 0.000 2.906 225 T HA 0.598 4.947 4.350 -0.002 0.000 0.295 225 T C -0.410 174.272 174.700 -0.031 0.000 1.061 225 T CA -0.069 62.007 62.100 -0.039 0.000 1.000 225 T CB 1.771 70.645 68.868 0.011 0.000 1.103 225 T HN 0.158 nan 8.240 nan 0.000 0.486 226 T N -0.458 114.082 114.554 -0.024 0.000 2.768 226 T HA 0.690 5.039 4.350 -0.002 0.000 0.268 226 T C 1.408 176.138 174.700 0.050 0.000 0.969 226 T CA 0.657 62.766 62.100 0.016 0.000 1.008 226 T CB 0.558 69.439 68.868 0.023 0.000 1.371 226 T HN 1.348 nan 8.240 nan 0.000 0.587 227 G N 0.781 109.622 108.800 0.069 0.000 2.730 227 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.531 227 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.531 227 G C 1.326 176.265 174.900 0.064 0.000 1.112 227 G CA 1.201 46.346 45.100 0.075 0.000 0.868 227 G HN 0.801 nan 8.290 nan 0.000 0.740 228 V N 1.005 120.958 119.914 0.064 0.000 2.970 228 V HA -0.050 4.069 4.120 -0.002 0.000 0.260 228 V C 2.758 178.880 176.094 0.047 0.000 1.100 228 V CA 2.468 64.799 62.300 0.052 0.000 1.122 228 V CB 0.118 31.971 31.823 0.049 0.000 0.721 228 V HN 0.594 nan 8.190 nan 0.000 0.483 229 S N -1.233 114.499 115.700 0.054 0.000 2.603 229 S HA -0.012 4.457 4.470 -0.002 0.000 0.220 229 S C 1.005 175.633 174.600 0.045 0.000 0.967 229 S CA 0.404 58.634 58.200 0.050 0.000 0.920 229 S CB -0.115 63.121 63.200 0.060 0.000 0.773 229 S HN 0.626 nan 8.310 nan 0.000 0.529 230 T N 1.426 116.009 114.554 0.048 0.000 2.913 230 T HA 0.133 4.482 4.350 -0.002 0.000 0.287 230 T C 1.244 175.968 174.700 0.041 0.000 1.008 230 T CA -0.525 61.611 62.100 0.060 0.000 1.067 230 T CB 0.591 69.500 68.868 0.068 0.000 0.996 230 T HN -0.036 nan 8.240 nan 0.000 0.513 231 E N 2.647 122.873 120.200 0.044 0.000 2.136 231 E HA -0.165 4.184 4.350 -0.002 0.000 0.208 231 E C 1.918 178.478 176.600 -0.066 0.000 1.035 231 E CA 1.635 58.002 56.400 -0.056 0.000 0.838 231 E CB -0.239 29.338 29.700 -0.204 0.000 0.748 231 E HN 0.714 nan 8.360 nan 0.000 0.459 232 I N 0.093 120.645 120.570 -0.031 0.000 2.439 232 I HA -0.138 4.031 4.170 -0.002 0.000 0.251 232 I C 2.353 178.476 176.117 0.011 0.000 1.139 232 I CA 0.995 62.284 61.300 -0.018 0.000 1.438 232 I CB -0.413 37.595 38.000 0.014 0.000 1.085 232 I HN 0.117 nan 8.210 nan 0.000 0.427 233 G N 0.981 109.795 108.800 0.024 0.000 2.422 233 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.218 233 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.218 233 G C 1.717 176.628 174.900 0.017 0.000 1.146 233 G CA 0.418 45.536 45.100 0.031 0.000 0.769 233 G HN 0.299 nan 8.290 nan 0.000 0.547 234 K N 0.107 120.509 120.400 0.004 0.000 2.002 234 K HA -0.008 4.311 4.320 -0.002 0.000 0.209 234 K C 2.439 179.032 176.600 -0.012 0.000 1.048 234 K CA 1.119 57.403 56.287 -0.006 0.000 0.930 234 K CB -0.377 32.111 32.500 -0.019 0.000 0.714 234 K HN 0.306 nan 8.250 nan 0.000 0.438 235 I N 1.208 121.764 120.570 -0.023 0.000 2.151 235 I HA -0.346 3.823 4.170 -0.002 0.000 0.243 235 I C 2.839 178.953 176.117 -0.005 0.000 1.080 235 I CA 1.311 62.598 61.300 -0.023 0.000 1.339 235 I CB -0.359 37.622 38.000 -0.032 0.000 1.039 235 I HN 0.240 nan 8.210 nan 0.000 0.409 236 R N 0.980 121.486 120.500 0.009 0.000 2.103 236 R HA -0.239 4.100 4.340 -0.002 0.000 0.242 236 R C 1.813 178.119 176.300 0.010 0.000 1.142 236 R CA 2.224 58.334 56.100 0.017 0.000 0.960 236 R CB -0.370 29.946 30.300 0.028 0.000 0.858 236 R HN 0.371 nan 8.270 nan 0.000 0.439 237 D N 0.490 120.895 120.400 0.008 0.000 2.084 237 D HA -0.177 4.462 4.640 -0.002 0.000 0.194 237 D C 2.099 178.398 176.300 -0.002 0.000 0.990 237 D CA 1.383 55.387 54.000 0.005 0.000 0.826 237 D CB -0.322 40.482 40.800 0.006 0.000 0.971 237 D HN 0.423 nan 8.370 nan 0.000 0.453 238 Q N -0.049 119.746 119.800 -0.008 0.000 2.045 238 Q HA -0.136 4.203 4.340 -0.002 0.000 0.206 238 Q C 2.366 178.359 176.000 -0.012 0.000 0.991 238 Q CA 1.280 57.074 55.803 -0.015 0.000 0.851 238 Q CB -0.190 28.534 28.738 -0.023 0.000 0.911 238 Q HN 0.326 nan 8.270 nan 0.000 0.418 239 M N -0.367 119.228 119.600 -0.008 0.000 2.358 239 M HA -0.140 4.339 4.480 -0.002 0.000 0.264 239 M C 2.109 178.408 176.300 -0.003 0.000 1.064 239 M CA 1.175 56.472 55.300 -0.005 0.000 1.093 239 M CB -0.123 32.478 32.600 0.001 0.000 1.401 239 M HN 0.264 nan 8.290 nan 0.000 0.440 240 A N -0.033 122.786 122.820 -0.001 0.000 1.903 240 A HA 0.194 4.513 4.320 -0.002 0.000 0.213 240 A C 2.279 179.862 177.584 -0.003 0.000 1.185 240 A CA 1.184 53.221 52.037 0.000 0.000 0.628 240 A CB -0.622 18.380 19.000 0.004 0.000 0.830 240 A HN 0.435 nan 8.150 nan 0.000 0.446 241 A N -0.907 121.910 122.820 -0.005 0.000 2.121 241 A HA 0.093 4.412 4.320 -0.002 0.000 0.218 241 A C 1.472 179.050 177.584 -0.011 0.000 1.154 241 A CA 1.461 53.493 52.037 -0.008 0.000 0.679 241 A CB -0.814 18.180 19.000 -0.010 0.000 0.795 241 A HN 0.361 nan 8.150 nan 0.000 0.458 242 T N 0.417 114.964 114.554 -0.012 0.000 2.794 242 T HA 0.386 4.735 4.350 -0.002 0.000 0.296 242 T C -0.548 174.146 174.700 -0.011 0.000 0.949 242 T CA -0.281 61.810 62.100 -0.014 0.000 1.101 242 T CB 0.503 69.362 68.868 -0.015 0.000 0.905 242 T HN 0.375 nan 8.240 nan 0.000 0.516 243 E N 4.113 124.306 120.200 -0.012 0.000 2.151 243 E HA 0.300 4.648 4.350 -0.002 0.000 0.275 243 E C -0.662 175.932 176.600 -0.010 0.000 0.936 243 E CA -0.823 55.571 56.400 -0.010 0.000 0.777 243 E CB 0.775 30.470 29.700 -0.010 0.000 1.108 243 E HN 0.548 nan 8.360 nan 0.000 0.401 244 Q N 3.972 123.767 119.800 -0.007 0.000 2.368 244 Q HA 0.335 4.674 4.340 -0.002 0.000 0.256 244 Q C -0.544 175.453 176.000 -0.005 0.000 0.980 244 Q CA -0.551 55.248 55.803 -0.006 0.000 0.887 244 Q CB 0.792 29.527 28.738 -0.005 0.000 1.221 244 Q HN 0.475 nan 8.270 nan 0.000 0.458 245 D N 2.468 122.865 120.400 -0.005 0.000 2.341 245 D HA -0.001 4.638 4.640 -0.002 0.000 0.235 245 D C -0.067 176.232 176.300 -0.002 0.000 1.265 245 D CA 0.473 54.471 54.000 -0.003 0.000 0.888 245 D CB 0.903 41.701 40.800 -0.003 0.000 1.192 245 D HN 0.407 nan 8.370 nan 0.000 0.462 246 K N 0.195 120.594 120.400 -0.000 0.000 2.144 246 K HA 0.185 4.504 4.320 -0.002 0.000 0.270 246 K C 0.235 176.835 176.600 -0.000 0.000 1.005 246 K CA -0.442 55.846 56.287 0.002 0.000 0.932 246 K CB 0.729 33.232 32.500 0.006 0.000 1.021 246 K HN 0.195 nan 8.250 nan 0.000 0.462 247 T N 3.982 118.536 114.554 0.001 0.000 2.933 247 T HA -0.015 4.334 4.350 -0.002 0.000 0.306 247 T C -1.127 173.570 174.700 -0.006 0.000 1.045 247 T CA -1.186 60.910 62.100 -0.007 0.000 1.143 247 T CB 0.411 69.279 68.868 0.001 0.000 1.003 247 T HN 0.468 nan 8.240 nan 0.000 0.540 248 P HA -0.126 nan 4.420 nan 0.000 0.218 248 P C 1.566 178.868 177.300 0.004 0.000 1.146 248 P CA 0.693 63.782 63.100 -0.019 0.000 0.813 248 P CB 0.175 31.844 31.700 -0.052 0.000 0.778 249 L N 0.412 121.641 121.223 0.010 0.000 2.072 249 L HA -0.111 4.228 4.340 -0.002 0.000 0.205 249 L C 2.579 179.482 176.870 0.055 0.000 1.079 249 L CA 1.825 56.702 54.840 0.061 0.000 0.752 249 L CB -1.531 40.590 42.059 0.102 0.000 0.906 249 L HN -0.108 nan 8.230 nan 0.000 0.436 250 Q N -1.088 118.736 119.800 0.041 0.000 2.224 250 Q HA -0.246 4.093 4.340 -0.002 0.000 0.203 250 Q C 2.204 178.228 176.000 0.039 0.000 0.970 250 Q CA 1.543 57.370 55.803 0.039 0.000 0.865 250 Q CB -0.249 28.505 28.738 0.027 0.000 0.922 250 Q HN 0.646 nan 8.270 nan 0.000 0.445 251 Q N 1.112 120.931 119.800 0.033 0.000 2.046 251 Q HA -0.131 4.208 4.340 -0.002 0.000 0.200 251 Q C 1.802 177.832 176.000 0.050 0.000 0.975 251 Q CA 1.170 56.992 55.803 0.032 0.000 0.836 251 Q CB 0.212 28.964 28.738 0.022 0.000 0.896 251 Q HN 0.251 nan 8.270 nan 0.000 0.428 252 K N 0.055 120.490 120.400 0.058 0.000 2.147 252 K HA -0.119 4.200 4.320 -0.002 0.000 0.205 252 K C 2.074 178.742 176.600 0.114 0.000 1.049 252 K CA 0.905 57.239 56.287 0.079 0.000 0.936 252 K CB -0.028 32.516 32.500 0.073 0.000 0.722 252 K HN 0.236 nan 8.250 nan 0.000 0.446 253 L N 1.010 122.298 121.223 0.108 0.000 2.023 253 L HA -0.168 4.171 4.340 -0.002 0.000 0.205 253 L C 2.016 178.983 176.870 0.162 0.000 1.073 253 L CA 1.053 55.991 54.840 0.163 0.000 0.745 253 L CB -0.531 41.597 42.059 0.116 0.000 0.900 253 L HN 0.159 nan 8.230 nan 0.000 0.435 254 D N 0.015 120.468 120.400 0.088 0.000 2.172 254 D HA -0.261 4.378 4.640 -0.002 0.000 0.196 254 D C 1.987 178.315 176.300 0.047 0.000 0.999 254 D CA 1.584 55.613 54.000 0.049 0.000 0.856 254 D CB 0.075 40.893 40.800 0.030 0.000 0.934 254 D HN 0.467 nan 8.370 nan 0.000 0.453 255 E N -0.176 120.071 120.200 0.078 0.000 2.028 255 E HA -0.167 4.182 4.350 -0.002 0.000 0.190 255 E C 2.164 178.824 176.600 0.098 0.000 0.984 255 E CA 0.321 56.766 56.400 0.075 0.000 0.800 255 E CB -0.286 29.467 29.700 0.089 0.000 0.758 255 E HN 0.134 nan 8.360 nan 0.000 0.448 256 F N 1.605 121.562 119.950 0.012 0.000 2.087 256 F HA -0.179 4.347 4.527 -0.002 0.000 0.299 256 F C 1.962 177.761 175.800 -0.001 0.000 1.100 256 F CA 2.327 60.333 58.000 0.010 0.000 1.226 256 F CB -0.953 38.050 39.000 0.005 0.000 0.983 256 F HN 0.103 nan 8.300 nan 0.000 0.479 257 G N 0.054 108.721 108.800 -0.221 0.000 2.421 257 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.216 257 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.216 257 G C 1.534 176.286 174.900 -0.246 0.000 1.171 257 G CA 0.849 45.752 45.100 -0.329 0.000 0.775 257 G HN 0.376 nan 8.290 nan 0.000 0.543 258 E N 0.555 120.678 120.200 -0.128 0.000 2.048 258 E HA -0.173 4.176 4.350 -0.002 0.000 0.202 258 E C 2.699 179.233 176.600 -0.110 0.000 1.021 258 E CA 1.155 57.502 56.400 -0.090 0.000 0.825 258 E CB -0.407 29.269 29.700 -0.041 0.000 0.756 258 E HN 0.391 nan 8.360 nan 0.000 0.454 259 Q N 0.197 119.932 119.800 -0.108 0.000 2.046 259 Q HA -0.100 4.239 4.340 -0.002 0.000 0.200 259 Q C 2.424 178.322 176.000 -0.170 0.000 0.975 259 Q CA 0.507 56.255 55.803 -0.091 0.000 0.836 259 Q CB -0.711 28.018 28.738 -0.015 0.000 0.896 259 Q HN 0.203 nan 8.270 nan 0.000 0.428 260 L N 0.990 121.994 121.223 -0.365 0.000 2.103 260 L HA -0.248 4.091 4.340 -0.002 0.000 0.215 260 L C 2.406 179.132 176.870 -0.242 0.000 1.080 260 L CA 2.226 56.804 54.840 -0.437 0.000 0.764 260 L CB -1.039 40.514 42.059 -0.844 0.000 0.890 260 L HN 0.177 nan 8.230 nan 0.000 0.435 261 S N -1.006 114.570 115.700 -0.206 0.000 2.335 261 S HA -0.223 4.246 4.470 -0.002 0.000 0.216 261 S C 2.067 176.611 174.600 -0.094 0.000 1.032 261 S CA 1.516 59.636 58.200 -0.134 0.000 1.000 261 S CB -0.228 62.903 63.200 -0.115 0.000 0.928 261 S HN 0.536 nan 8.310 nan 0.000 0.434 262 K N 0.290 120.642 120.400 -0.080 0.000 2.089 262 K HA -0.134 4.185 4.320 -0.002 0.000 0.210 262 K C 2.045 178.617 176.600 -0.047 0.000 1.048 262 K CA 1.799 58.054 56.287 -0.053 0.000 0.926 262 K CB -0.585 31.891 32.500 -0.039 0.000 0.714 262 K HN 0.301 nan 8.250 nan 0.000 0.448 263 V N 1.766 121.647 119.914 -0.054 0.000 2.237 263 V HA -0.278 3.841 4.120 -0.002 0.000 0.245 263 V C 2.233 178.298 176.094 -0.048 0.000 1.046 263 V CA 1.808 64.081 62.300 -0.045 0.000 1.007 263 V CB -0.463 31.333 31.823 -0.045 0.000 0.638 263 V HN 0.292 nan 8.190 nan 0.000 0.445 264 I N 1.300 121.835 120.570 -0.059 0.000 2.103 264 I HA -0.386 3.783 4.170 -0.002 0.000 0.241 264 I C 2.794 178.890 176.117 -0.035 0.000 1.036 264 I CA 2.406 63.677 61.300 -0.049 0.000 1.300 264 I CB -0.690 37.272 38.000 -0.064 0.000 1.010 264 I HN 0.571 nan 8.210 nan 0.000 0.406 265 S N 1.307 116.981 115.700 -0.042 0.000 2.359 265 S HA -0.200 4.269 4.470 -0.002 0.000 0.224 265 S C 2.004 176.594 174.600 -0.017 0.000 1.035 265 S CA 1.258 59.436 58.200 -0.036 0.000 1.018 265 S CB -1.056 62.118 63.200 -0.043 0.000 0.876 265 S HN 0.436 nan 8.310 nan 0.000 0.448 266 L N 0.848 122.061 121.223 -0.016 0.000 2.042 266 L HA -0.087 4.251 4.340 -0.002 0.000 0.210 266 L C 2.737 179.617 176.870 0.016 0.000 1.076 266 L CA 1.496 56.335 54.840 -0.002 0.000 0.749 266 L CB -0.705 41.346 42.059 -0.013 0.000 0.893 266 L HN 0.333 nan 8.230 nan 0.000 0.432 267 I N -0.633 119.938 120.570 0.001 0.000 2.118 267 I HA -0.404 3.765 4.170 -0.002 0.000 0.241 267 I C 2.765 178.954 176.117 0.120 0.000 1.070 267 I CA 1.589 62.909 61.300 0.035 0.000 1.327 267 I CB -0.400 37.619 38.000 0.032 0.000 1.034 267 I HN 0.433 nan 8.210 nan 0.000 0.405 268 C N 0.028 119.372 119.300 0.074 0.000 2.393 268 C HA -0.176 4.283 4.460 -0.002 0.000 0.276 268 C C 2.860 177.920 174.990 0.117 0.000 1.215 268 C CA 0.726 59.787 59.018 0.070 0.000 1.743 268 C CB -0.939 26.807 27.740 0.010 0.000 2.044 268 C HN 0.385 nan 8.230 nan 0.000 0.464 269 V N 1.327 121.295 119.914 0.091 0.000 2.250 269 V HA -0.318 3.801 4.120 -0.002 0.000 0.250 269 V C 2.685 178.929 176.094 0.250 0.000 1.060 269 V CA 2.530 64.912 62.300 0.137 0.000 1.030 269 V CB -1.310 30.560 31.823 0.079 0.000 0.643 269 V HN 0.657 nan 8.190 nan 0.000 0.445 270 A N -0.544 122.395 122.820 0.199 0.000 1.858 270 A HA -0.165 4.154 4.320 -0.002 0.000 0.216 270 A C 2.379 180.120 177.584 0.263 0.000 1.190 270 A CA 2.036 54.210 52.037 0.229 0.000 0.617 270 A CB -0.850 18.272 19.000 0.202 0.000 0.827 270 A HN 0.316 nan 8.150 nan 0.000 0.443 271 V N -1.780 118.305 119.914 0.284 0.000 2.277 271 V HA -0.327 3.791 4.120 -0.002 0.000 0.253 271 V C 2.231 178.364 176.094 0.065 0.000 1.067 271 V CA 2.350 64.742 62.300 0.153 0.000 1.047 271 V CB -1.046 30.828 31.823 0.086 0.000 0.649 271 V HN 0.874 nan 8.190 nan 0.000 0.447 272 W N 0.219 121.475 121.300 -0.074 0.000 2.363 272 W HA -0.130 4.529 4.660 -0.002 0.000 0.296 272 W C 2.063 178.602 176.519 0.035 0.000 1.212 272 W CA 1.462 58.757 57.345 -0.083 0.000 1.260 272 W CB -0.185 29.251 29.460 -0.040 0.000 1.131 272 W HN 0.188 nan 8.180 nan 0.000 0.530 273 L N 0.326 121.590 121.223 0.067 0.000 2.313 273 L HA -0.185 4.154 4.340 -0.002 0.000 0.214 273 L C 2.187 179.000 176.870 -0.095 0.000 1.119 273 L CA 0.266 55.044 54.840 -0.103 0.000 0.809 273 L CB -0.619 41.511 42.059 0.118 0.000 0.933 273 L HN 0.002 nan 8.230 nan 0.000 0.449 274 I N -0.167 120.392 120.570 -0.017 0.000 2.286 274 I HA -0.165 4.004 4.170 -0.002 0.000 0.245 274 I C 0.936 177.041 176.117 -0.019 0.000 1.104 274 I CA 1.245 62.547 61.300 0.003 0.000 1.397 274 I CB -0.727 37.284 38.000 0.019 0.000 1.072 274 I HN 0.317 nan 8.210 nan 0.000 0.417 275 N N 1.110 119.793 118.700 -0.029 0.000 2.671 275 N HA 0.095 4.834 4.740 -0.002 0.000 0.303 275 N C 1.108 176.605 175.510 -0.022 0.000 1.351 275 N CA 0.028 53.134 53.050 0.094 0.000 0.991 275 N CB 0.966 39.619 38.487 0.277 0.000 1.307 275 N HN 0.198 nan 8.380 nan 0.000 0.512 276 I N -0.215 120.246 120.570 -0.181 0.000 3.684 276 I HA 0.156 4.325 4.170 -0.002 0.000 0.304 276 I C 1.768 177.846 176.117 -0.064 0.000 1.278 276 I CA 0.309 61.466 61.300 -0.239 0.000 1.272 276 I CB -0.009 37.782 38.000 -0.348 0.000 1.029 276 I HN 0.147 nan 8.210 nan 0.000 0.458 277 G N -0.420 108.307 108.800 -0.123 0.000 2.679 277 G HA2 -0.154 3.805 3.960 -0.002 0.000 0.212 277 G HA3 -0.154 3.805 3.960 -0.002 0.000 0.212 277 G C 1.034 175.770 174.900 -0.273 0.000 1.137 277 G CA 0.128 45.117 45.100 -0.185 0.000 0.787 277 G HN 0.518 nan 8.290 nan 0.000 0.534 278 H N -0.657 118.368 119.070 -0.075 0.000 2.770 278 H HA 0.279 4.834 4.556 -0.002 0.000 0.315 278 H C 0.210 175.377 175.328 -0.267 0.000 1.127 278 H CA -0.003 55.955 56.048 -0.149 0.000 1.155 278 H CB 0.106 29.771 29.762 -0.162 0.000 1.397 278 H HN 0.340 nan 8.280 nan 0.000 0.538 279 F N -0.073 119.845 119.950 -0.054 0.000 2.675 279 F HA -0.012 4.514 4.527 -0.002 0.000 0.315 279 F C 1.781 177.546 175.800 -0.059 0.000 0.888 279 F CA 0.131 58.100 58.000 -0.052 0.000 1.100 279 F CB 0.380 39.347 39.000 -0.056 0.000 0.908 279 F HN 0.209 nan 8.300 nan 0.000 0.657 280 N N -0.926 117.848 118.700 0.122 0.000 2.432 280 N HA -0.011 4.728 4.740 -0.002 0.000 0.174 280 N C 1.028 176.532 175.510 -0.010 0.000 1.037 280 N CA 1.330 54.405 53.050 0.041 0.000 0.892 280 N CB -0.308 38.185 38.487 0.011 0.000 1.049 280 N HN 0.108 nan 8.380 nan 0.000 0.442 281 D N 0.801 121.169 120.400 -0.053 0.000 2.277 281 D HA 0.115 4.754 4.640 -0.002 0.000 0.209 281 D C -1.645 174.610 176.300 -0.074 0.000 0.970 281 D CA -0.546 53.405 54.000 -0.081 0.000 0.874 281 D CB -0.496 40.225 40.800 -0.132 0.000 0.982 281 D HN 0.264 nan 8.370 nan 0.000 0.504 282 P HA 0.086 nan 4.420 nan 0.000 0.272 282 P C -0.367 176.909 177.300 -0.040 0.000 1.223 282 P CA -0.202 62.880 63.100 -0.030 0.000 0.784 282 P CB 1.690 33.389 31.700 -0.001 0.000 0.923 283 V N -0.893 118.995 119.914 -0.043 0.000 3.126 283 V HA 0.510 4.629 4.120 -0.002 0.000 0.314 283 V C -0.189 175.890 176.094 -0.027 0.000 1.138 283 V CA -1.222 61.018 62.300 -0.101 0.000 1.034 283 V CB 0.742 32.440 31.823 -0.207 0.000 1.075 283 V HN 0.751 nan 8.190 nan 0.000 0.442 284 H N 0.462 119.581 119.070 0.081 0.000 2.975 284 H HA 0.765 5.320 4.556 -0.002 0.000 0.303 284 H C 0.156 175.564 175.328 0.133 0.000 1.023 284 H CA 0.289 56.421 56.048 0.139 0.000 1.473 284 H CB 0.250 30.075 29.762 0.105 0.000 1.498 284 H HN 1.342 nan 8.280 nan 0.000 0.549 285 G N 0.695 109.704 108.800 0.349 0.000 2.548 285 G HA2 0.433 4.392 3.960 -0.002 0.000 0.301 285 G HA3 0.433 4.392 3.960 -0.002 0.000 0.301 285 G C 0.201 175.107 174.900 0.011 0.000 1.349 285 G CA -0.602 44.601 45.100 0.172 0.000 0.792 285 G HN 0.822 nan 8.290 nan 0.000 0.481 286 G N -0.367 108.367 108.800 -0.111 0.000 3.233 286 G HA2 0.337 4.296 3.960 -0.002 0.000 0.234 286 G HA3 0.337 4.296 3.960 -0.002 0.000 0.234 286 G C 1.266 175.961 174.900 -0.341 0.000 1.137 286 G CA 1.313 46.240 45.100 -0.290 0.000 0.763 286 G HN 0.561 nan 8.290 nan 0.000 0.549 287 S N 0.625 116.192 115.700 -0.222 0.000 2.357 287 S HA -0.080 4.389 4.470 -0.002 0.000 0.221 287 S C 1.996 176.480 174.600 -0.193 0.000 1.031 287 S CA 1.069 59.165 58.200 -0.174 0.000 0.982 287 S CB -0.375 62.771 63.200 -0.089 0.000 0.853 287 S HN 0.807 nan 8.310 nan 0.000 0.458 288 W N 1.998 123.219 121.300 -0.131 0.000 2.421 288 W HA -0.003 4.656 4.660 -0.002 0.000 0.270 288 W C 1.172 177.595 176.519 -0.160 0.000 1.233 288 W CA 0.428 57.670 57.345 -0.171 0.000 1.226 288 W CB -0.901 28.471 29.460 -0.147 0.000 1.121 288 W HN 0.214 nan 8.180 nan 0.000 0.579 289 I N 1.309 121.356 120.570 -0.872 0.000 2.657 289 I HA -0.230 3.939 4.170 -0.002 0.000 0.261 289 I C 2.705 178.644 176.117 -0.297 0.000 1.212 289 I CA 1.471 62.318 61.300 -0.757 0.000 1.453 289 I CB -0.574 36.940 38.000 -0.811 0.000 1.092 289 I HN 0.007 nan 8.210 nan 0.000 0.452 290 R N 0.761 121.118 120.500 -0.238 0.000 2.362 290 R HA 0.081 4.420 4.340 -0.002 0.000 0.227 290 R C 1.881 178.087 176.300 -0.155 0.000 0.905 290 R CA 0.434 56.438 56.100 -0.159 0.000 1.067 290 R CB 0.229 30.436 30.300 -0.154 0.000 1.078 290 R HN 0.279 nan 8.270 nan 0.000 0.516 291 G N -0.379 108.316 108.800 -0.174 0.000 2.595 291 G HA2 -0.048 3.910 3.960 -0.002 0.000 0.213 291 G HA3 -0.048 3.910 3.960 -0.002 0.000 0.213 291 G C 1.298 176.008 174.900 -0.318 0.000 1.141 291 G CA 0.489 45.408 45.100 -0.302 0.000 0.806 291 G HN 0.317 nan 8.290 nan 0.000 0.530 292 A N 1.476 124.199 122.820 -0.162 0.000 1.845 292 A HA -0.029 4.290 4.320 -0.002 0.000 0.215 292 A C 2.305 179.793 177.584 -0.160 0.000 1.195 292 A CA 1.401 53.340 52.037 -0.165 0.000 0.616 292 A CB -0.665 18.237 19.000 -0.164 0.000 0.832 292 A HN 0.446 nan 8.150 nan 0.000 0.443 293 I N -1.754 118.740 120.570 -0.126 0.000 2.290 293 I HA -0.334 3.835 4.170 -0.002 0.000 0.253 293 I C 2.258 178.477 176.117 0.169 0.000 1.112 293 I CA 2.370 63.669 61.300 -0.002 0.000 1.377 293 I CB -0.192 37.831 38.000 0.038 0.000 1.060 293 I HN 0.555 nan 8.210 nan 0.000 0.428 294 Y N 1.209 121.501 120.300 -0.014 0.000 2.089 294 Y HA -0.299 4.251 4.550 -0.001 0.000 0.282 294 Y C 2.084 178.133 175.900 0.248 0.000 1.139 294 Y CA 1.851 59.983 58.100 0.052 0.000 1.123 294 Y CB -0.828 37.564 38.460 -0.115 0.000 0.980 294 Y HN 0.210 nan 8.280 nan 0.000 0.493 295 Y N -0.983 119.463 120.300 0.242 0.000 2.651 295 Y HA -0.176 4.373 4.550 -0.002 0.000 0.293 295 Y C 1.753 177.877 175.900 0.374 0.000 1.151 295 Y CA 0.461 58.694 58.100 0.221 0.000 1.362 295 Y CB -0.959 37.700 38.460 0.331 0.000 0.973 295 Y HN 0.217 nan 8.280 nan 0.000 0.561 296 F N 0.048 120.093 119.950 0.158 0.000 2.419 296 F HA 0.073 4.599 4.527 -0.002 0.000 0.283 296 F C 2.173 178.011 175.800 0.063 0.000 1.044 296 F CA 0.625 58.687 58.000 0.102 0.000 1.376 296 F CB -0.578 38.480 39.000 0.096 0.000 1.131 296 F HN -0.029 nan 8.300 nan 0.000 0.585 297 K N 0.521 121.075 120.400 0.257 0.000 2.504 297 K HA -0.045 4.274 4.320 -0.002 0.000 0.195 297 K C 1.713 178.353 176.600 0.067 0.000 1.036 297 K CA 1.238 57.616 56.287 0.153 0.000 0.984 297 K CB -0.351 32.243 32.500 0.158 0.000 0.788 297 K HN 0.390 nan 8.250 nan 0.000 0.488 298 I N 0.261 120.841 120.570 0.016 0.000 3.427 298 I HA 0.019 4.188 4.170 -0.002 0.000 0.288 298 I C 1.962 178.071 176.117 -0.013 0.000 1.249 298 I CA 0.213 61.475 61.300 -0.064 0.000 1.421 298 I CB 0.223 38.087 38.000 -0.228 0.000 1.086 298 I HN 0.314 nan 8.210 nan 0.000 0.448 299 A N 0.323 123.146 122.820 0.005 0.000 1.861 299 A HA -0.094 4.225 4.320 -0.002 0.000 0.212 299 A C 2.203 179.777 177.584 -0.017 0.000 1.199 299 A CA 1.336 53.357 52.037 -0.027 0.000 0.613 299 A CB -0.995 17.945 19.000 -0.099 0.000 0.846 299 A HN 0.331 nan 8.150 nan 0.000 0.446 300 V N -1.956 117.958 119.914 -0.000 0.000 2.568 300 V HA -0.106 4.013 4.120 -0.002 0.000 0.253 300 V C 2.341 178.453 176.094 0.029 0.000 1.072 300 V CA 1.927 64.237 62.300 0.018 0.000 1.084 300 V CB -1.485 30.369 31.823 0.051 0.000 0.676 300 V HN 0.498 nan 8.190 nan 0.000 0.469 301 A N 0.906 123.745 122.820 0.031 0.000 1.840 301 A HA -0.029 4.290 4.320 -0.002 0.000 0.214 301 A C 2.118 179.717 177.584 0.024 0.000 1.198 301 A CA 1.654 53.712 52.037 0.035 0.000 0.608 301 A CB -0.853 18.166 19.000 0.033 0.000 0.839 301 A HN 0.596 nan 8.150 nan 0.000 0.443 302 L N -0.219 121.015 121.223 0.018 0.000 2.211 302 L HA -0.223 4.116 4.340 -0.002 0.000 0.216 302 L C 2.425 179.296 176.870 0.003 0.000 1.092 302 L CA 2.129 56.980 54.840 0.018 0.000 0.767 302 L CB -0.483 41.586 42.059 0.017 0.000 0.894 302 L HN 0.403 nan 8.230 nan 0.000 0.437 303 A N -1.117 121.701 122.820 -0.004 0.000 1.850 303 A HA -0.046 4.273 4.320 -0.002 0.000 0.212 303 A C 2.219 179.799 177.584 -0.008 0.000 1.208 303 A CA 1.549 53.577 52.037 -0.016 0.000 0.609 303 A CB -1.192 17.796 19.000 -0.021 0.000 0.860 303 A HN 0.425 nan 8.150 nan 0.000 0.448 304 V N -1.808 118.110 119.914 0.006 0.000 2.568 304 V HA -0.132 3.987 4.120 -0.002 0.000 0.253 304 V C 2.414 178.512 176.094 0.007 0.000 1.072 304 V CA 2.003 64.310 62.300 0.010 0.000 1.084 304 V CB -1.560 30.281 31.823 0.030 0.000 0.676 304 V HN 0.520 nan 8.190 nan 0.000 0.469 305 A N 0.783 123.609 122.820 0.010 0.000 1.873 305 A HA 0.142 4.461 4.320 -0.002 0.000 0.215 305 A C 2.525 180.111 177.584 0.002 0.000 1.186 305 A CA 2.344 54.386 52.037 0.007 0.000 0.616 305 A CB -1.123 17.887 19.000 0.017 0.000 0.823 305 A HN 0.935 nan 8.150 nan 0.000 0.442 306 A N -0.104 122.717 122.820 0.001 0.000 1.855 306 A HA 0.129 4.448 4.320 -0.002 0.000 0.215 306 A C 1.137 178.737 177.584 0.026 0.000 1.191 306 A CA 0.791 52.830 52.037 0.002 0.000 0.613 306 A CB -0.579 18.404 19.000 -0.029 0.000 0.829 306 A HN 0.465 nan 8.150 nan 0.000 0.442 307 I N 1.665 122.238 120.570 0.005 0.000 2.556 307 I HA 0.110 4.279 4.170 -0.002 0.000 0.284 307 I C -1.967 174.169 176.117 0.032 0.000 1.114 307 I CA -1.650 59.665 61.300 0.025 0.000 1.418 307 I CB 1.025 39.016 38.000 -0.015 0.000 1.394 307 I HN 0.176 nan 8.210 nan 0.000 0.552 308 P HA 0.151 nan 4.420 nan 0.000 0.225 308 P C 0.045 177.333 177.300 -0.020 0.000 1.813 308 P CA -0.230 62.871 63.100 0.002 0.000 1.013 308 P CB 0.462 32.163 31.700 0.002 0.000 1.961 309 E N 1.721 121.903 120.200 -0.031 0.000 2.136 309 E HA -0.229 4.120 4.350 -0.002 0.000 0.208 309 E C 2.278 178.841 176.600 -0.060 0.000 1.035 309 E CA 2.516 58.890 56.400 -0.043 0.000 0.838 309 E CB -1.010 28.666 29.700 -0.040 0.000 0.748 309 E HN 0.493 nan 8.360 nan 0.000 0.459 310 G N 0.043 108.793 108.800 -0.083 0.000 2.464 310 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.217 310 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.217 310 G C 1.378 176.222 174.900 -0.093 0.000 1.138 310 G CA 0.404 45.441 45.100 -0.104 0.000 0.793 310 G HN 0.154 nan 8.290 nan 0.000 0.539 311 L N 2.000 123.184 121.223 -0.066 0.000 2.011 311 L HA -0.115 4.224 4.340 -0.002 0.000 0.225 311 L C 0.170 177.038 176.870 -0.004 0.000 1.084 311 L CA 2.441 57.269 54.840 -0.021 0.000 0.791 311 L CB -1.344 40.719 42.059 0.007 0.000 0.898 311 L HN 0.121 nan 8.230 nan 0.000 0.440 312 P HA -0.199 nan 4.420 nan 0.000 0.216 312 P C 1.567 178.856 177.300 -0.019 0.000 1.153 312 P CA 2.326 65.425 63.100 -0.002 0.000 0.858 312 P CB -0.250 31.439 31.700 -0.019 0.000 0.789 313 A N -0.738 122.050 122.820 -0.053 0.000 1.873 313 A HA -0.152 4.167 4.320 -0.002 0.000 0.215 313 A C 2.332 179.849 177.584 -0.111 0.000 1.186 313 A CA 1.926 53.918 52.037 -0.074 0.000 0.616 313 A CB -1.709 17.235 19.000 -0.093 0.000 0.823 313 A HN 0.018 nan 8.150 nan 0.000 0.442 314 V N 0.623 120.432 119.914 -0.175 0.000 2.282 314 V HA -0.330 3.789 4.120 -0.002 0.000 0.249 314 V C 2.433 178.362 176.094 -0.275 0.000 1.057 314 V CA 2.192 64.286 62.300 -0.343 0.000 1.032 314 V CB -0.899 30.582 31.823 -0.570 0.000 0.645 314 V HN 0.565 nan 8.190 nan 0.000 0.447 315 I N 1.087 121.636 120.570 -0.035 0.000 2.058 315 I HA -0.283 3.886 4.170 -0.002 0.000 0.235 315 I C 2.816 178.989 176.117 0.094 0.000 1.053 315 I CA 2.313 63.726 61.300 0.188 0.000 1.313 315 I CB -1.171 36.952 38.000 0.205 0.000 1.039 315 I HN 0.497 nan 8.210 nan 0.000 0.396 316 T N -1.588 112.996 114.554 0.049 0.000 2.822 316 T HA -0.197 4.152 4.350 -0.002 0.000 0.270 316 T C 1.638 176.354 174.700 0.026 0.000 1.064 316 T CA 1.848 63.972 62.100 0.040 0.000 1.131 316 T CB -1.190 67.693 68.868 0.026 0.000 0.858 316 T HN 0.562 nan 8.240 nan 0.000 0.483 317 T N -1.523 113.025 114.554 -0.010 0.000 3.043 317 T HA 0.014 4.363 4.350 -0.002 0.000 0.263 317 T C 2.237 176.952 174.700 0.026 0.000 1.094 317 T CA 0.556 62.649 62.100 -0.012 0.000 1.127 317 T CB -0.928 67.902 68.868 -0.063 0.000 0.905 317 T HN 0.560 nan 8.240 nan 0.000 0.490 318 C N 1.194 120.513 119.300 0.032 0.000 2.508 318 C HA 0.236 4.695 4.460 -0.002 0.000 0.280 318 C C 2.586 177.662 174.990 0.143 0.000 1.262 318 C CA 0.153 59.239 59.018 0.114 0.000 1.706 318 C CB -1.536 26.320 27.740 0.193 0.000 2.078 318 C HN 0.616 nan 8.230 nan 0.000 0.480 319 L N 1.650 122.950 121.223 0.128 0.000 2.042 319 L HA -0.122 4.217 4.340 -0.002 0.000 0.210 319 L C 3.083 180.004 176.870 0.084 0.000 1.076 319 L CA 1.783 56.688 54.840 0.108 0.000 0.749 319 L CB -0.977 41.140 42.059 0.095 0.000 0.893 319 L HN 0.506 nan 8.230 nan 0.000 0.432 320 A N 0.540 123.404 122.820 0.072 0.000 1.873 320 A HA -0.229 4.090 4.320 -0.002 0.000 0.218 320 A C 2.254 179.873 177.584 0.059 0.000 1.193 320 A CA 1.955 54.026 52.037 0.057 0.000 0.629 320 A CB -0.901 18.127 19.000 0.046 0.000 0.826 320 A HN 0.392 nan 8.150 nan 0.000 0.447 321 L N -0.925 120.344 121.223 0.078 0.000 2.046 321 L HA -0.110 4.228 4.340 -0.002 0.000 0.208 321 L C 2.871 179.783 176.870 0.069 0.000 1.077 321 L CA 1.114 55.999 54.840 0.075 0.000 0.747 321 L CB -1.056 41.081 42.059 0.129 0.000 0.896 321 L HN 0.502 nan 8.230 nan 0.000 0.432 322 G N -0.652 108.204 108.800 0.094 0.000 2.440 322 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.218 322 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.218 322 G C 1.552 176.484 174.900 0.053 0.000 1.154 322 G CA 1.299 46.447 45.100 0.081 0.000 0.767 322 G HN 0.253 nan 8.290 nan 0.000 0.552 323 T N 0.850 115.434 114.554 0.051 0.000 2.555 323 T HA -0.156 4.193 4.350 -0.002 0.000 0.264 323 T C 2.468 177.184 174.700 0.028 0.000 1.083 323 T CA 1.535 63.657 62.100 0.037 0.000 1.179 323 T CB -0.246 68.644 68.868 0.038 0.000 0.863 323 T HN 0.295 nan 8.240 nan 0.000 0.412 324 R N 0.525 121.041 120.500 0.026 0.000 2.174 324 R HA -0.149 4.190 4.340 -0.002 0.000 0.253 324 R C 2.624 178.931 176.300 0.011 0.000 1.165 324 R CA 1.525 57.635 56.100 0.017 0.000 0.984 324 R CB -0.278 30.030 30.300 0.014 0.000 0.873 324 R HN 0.324 nan 8.270 nan 0.000 0.456 325 R N 0.851 121.360 120.500 0.015 0.000 2.070 325 R HA -0.092 4.247 4.340 -0.002 0.000 0.227 325 R C 2.346 178.651 176.300 0.010 0.000 1.147 325 R CA 1.826 57.932 56.100 0.009 0.000 0.924 325 R CB -0.182 30.129 30.300 0.017 0.000 0.827 325 R HN 0.124 nan 8.270 nan 0.000 0.431 326 M N 0.325 119.934 119.600 0.015 0.000 2.108 326 M HA -0.240 4.239 4.480 -0.002 0.000 0.257 326 M C 2.449 178.751 176.300 0.004 0.000 1.071 326 M CA 1.954 57.259 55.300 0.009 0.000 1.093 326 M CB -0.507 32.100 32.600 0.011 0.000 1.345 326 M HN 0.368 nan 8.290 nan 0.000 0.403 327 A N 0.734 123.558 122.820 0.007 0.000 1.917 327 A HA -0.219 4.100 4.320 -0.002 0.000 0.219 327 A C 2.119 179.705 177.584 0.003 0.000 1.182 327 A CA 2.032 54.073 52.037 0.006 0.000 0.633 327 A CB -0.646 18.359 19.000 0.009 0.000 0.819 327 A HN 0.511 nan 8.150 nan 0.000 0.448 328 K N -0.398 120.004 120.400 0.002 0.000 2.209 328 K HA -0.088 4.231 4.320 -0.002 0.000 0.204 328 K C 1.072 177.671 176.600 -0.001 0.000 1.048 328 K CA 1.327 57.615 56.287 0.001 0.000 0.940 328 K CB -0.099 32.401 32.500 -0.001 0.000 0.729 328 K HN 0.400 nan 8.250 nan 0.000 0.451 329 K N 0.815 121.214 120.400 -0.002 0.000 2.520 329 K HA 0.097 4.416 4.320 -0.002 0.000 0.205 329 K C -0.318 176.277 176.600 -0.009 0.000 1.035 329 K CA -0.051 56.233 56.287 -0.006 0.000 1.188 329 K CB 0.270 32.765 32.500 -0.009 0.000 0.894 329 K HN 0.142 nan 8.250 nan 0.000 0.497 330 N N -0.615 118.082 118.700 -0.005 0.000 2.909 330 N HA -0.170 4.569 4.740 -0.002 0.000 0.242 330 N C -0.513 174.993 175.510 -0.006 0.000 0.975 330 N CA 1.183 54.231 53.050 -0.004 0.000 0.921 330 N CB -1.192 37.292 38.487 -0.005 0.000 1.112 330 N HN 0.313 nan 8.380 nan 0.000 0.581 331 A N 1.014 123.829 122.820 -0.008 0.000 2.280 331 A HA 0.633 4.952 4.320 -0.002 0.000 0.320 331 A C 0.519 178.102 177.584 -0.001 0.000 1.366 331 A CA -0.415 51.617 52.037 -0.009 0.000 0.938 331 A CB 0.190 19.181 19.000 -0.015 0.000 1.157 331 A HN 0.253 nan 8.150 nan 0.000 0.536 332 I N 3.998 124.569 120.570 0.001 0.000 2.282 332 I HA 0.138 4.307 4.170 -0.002 0.000 0.290 332 I C -0.470 175.651 176.117 0.006 0.000 1.090 332 I CA -0.374 60.929 61.300 0.006 0.000 1.231 332 I CB 1.019 39.023 38.000 0.007 0.000 1.434 332 I HN 0.265 nan 8.210 nan 0.000 0.487 333 V N 7.337 127.257 119.914 0.009 0.000 2.368 333 V HA 0.261 4.380 4.120 -0.002 0.000 0.266 333 V C 0.551 176.653 176.094 0.013 0.000 1.045 333 V CA -0.576 61.731 62.300 0.010 0.000 0.899 333 V CB 0.288 32.120 31.823 0.014 0.000 1.006 333 V HN 0.669 nan 8.190 nan 0.000 0.470 334 R N 3.583 124.089 120.500 0.010 0.000 2.357 334 R HA 0.584 4.923 4.340 -0.002 0.000 0.296 334 R C 0.279 176.586 176.300 0.011 0.000 1.052 334 R CA -0.065 56.041 56.100 0.010 0.000 0.988 334 R CB 1.121 31.425 30.300 0.005 0.000 1.025 334 R HN 0.791 nan 8.270 nan 0.000 0.469 335 S N 2.615 118.323 115.700 0.014 0.000 3.600 335 S HA -0.091 4.378 4.470 -0.002 0.000 0.695 335 S C 0.710 175.323 174.600 0.022 0.000 0.535 335 S CA -0.269 57.941 58.200 0.016 0.000 1.453 335 S CB -0.767 62.439 63.200 0.010 0.000 0.928 335 S HN 0.698 nan 8.310 nan 0.000 1.029 336 L N 5.797 127.038 121.223 0.030 0.000 1.956 336 L HA -0.074 4.265 4.340 -0.002 0.000 0.216 336 L C 0.222 177.116 176.870 0.040 0.000 1.073 336 L CA 1.837 56.700 54.840 0.039 0.000 0.762 336 L CB -1.688 40.400 42.059 0.047 0.000 0.889 336 L HN 0.566 nan 8.230 nan 0.000 0.433 337 P HA -0.212 nan 4.420 nan 0.000 0.219 337 P C 1.529 178.844 177.300 0.025 0.000 1.145 337 P CA 1.662 64.783 63.100 0.036 0.000 0.813 337 P CB -0.029 31.688 31.700 0.028 0.000 0.771 338 S N -0.678 115.033 115.700 0.018 0.000 2.423 338 S HA -0.058 4.411 4.470 -0.002 0.000 0.231 338 S C 1.960 176.565 174.600 0.008 0.000 1.014 338 S CA 0.680 58.884 58.200 0.008 0.000 0.965 338 S CB -0.922 62.282 63.200 0.006 0.000 0.785 338 S HN 0.006 nan 8.310 nan 0.000 0.495 339 V N 1.712 121.641 119.914 0.025 0.000 2.546 339 V HA -0.203 3.916 4.120 -0.002 0.000 0.254 339 V C 2.417 178.528 176.094 0.028 0.000 1.076 339 V CA 1.732 64.052 62.300 0.033 0.000 1.087 339 V CB -0.500 31.357 31.823 0.057 0.000 0.674 339 V HN 0.519 nan 8.190 nan 0.000 0.470 340 E N 0.670 120.881 120.200 0.018 0.000 2.005 340 E HA -0.196 4.153 4.350 -0.002 0.000 0.191 340 E C 2.442 178.988 176.600 -0.090 0.000 0.987 340 E CA 1.997 58.379 56.400 -0.030 0.000 0.814 340 E CB -0.292 29.389 29.700 -0.031 0.000 0.772 340 E HN 0.740 nan 8.360 nan 0.000 0.453 341 T N 0.878 115.389 114.554 -0.071 0.000 2.721 341 T HA -0.241 4.108 4.350 -0.002 0.000 0.268 341 T C 2.058 176.726 174.700 -0.053 0.000 1.038 341 T CA 1.489 63.547 62.100 -0.070 0.000 1.145 341 T CB -0.589 68.255 68.868 -0.041 0.000 0.858 341 T HN 0.145 nan 8.240 nan 0.000 0.459 342 L N 2.438 123.641 121.223 -0.033 0.000 2.043 342 L HA 0.113 4.452 4.340 -0.002 0.000 0.212 342 L C 2.693 179.544 176.870 -0.032 0.000 1.075 342 L CA 2.159 56.984 54.840 -0.025 0.000 0.752 342 L CB -1.275 40.775 42.059 -0.014 0.000 0.891 342 L HN 0.408 nan 8.230 nan 0.000 0.432 343 G N -1.734 107.043 108.800 -0.038 0.000 2.509 343 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.218 343 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.218 343 G C 1.054 175.921 174.900 -0.055 0.000 1.124 343 G CA 0.878 45.956 45.100 -0.037 0.000 0.776 343 G HN 0.609 nan 8.290 nan 0.000 0.547 344 C N 1.610 120.864 119.300 -0.077 0.000 2.778 344 C HA 0.344 4.803 4.460 -0.002 0.000 0.294 344 C C 1.377 176.344 174.990 -0.037 0.000 1.331 344 C CA -0.706 58.270 59.018 -0.070 0.000 1.741 344 C CB -1.549 26.126 27.740 -0.109 0.000 2.106 344 C HN 0.418 nan 8.230 nan 0.000 0.603 345 T N -0.716 113.822 114.554 -0.026 0.000 2.831 345 T HA 0.062 4.411 4.350 -0.002 0.000 0.291 345 T C 1.055 175.757 174.700 0.002 0.000 0.981 345 T CA 0.877 62.971 62.100 -0.009 0.000 1.174 345 T CB 1.059 69.923 68.868 -0.007 0.000 0.929 345 T HN 0.411 nan 8.240 nan 0.000 0.532 346 S N 3.103 118.811 115.700 0.013 0.000 2.336 346 S HA 0.116 4.585 4.470 -0.002 0.000 0.216 346 S C 0.667 175.285 174.600 0.030 0.000 1.032 346 S CA 0.372 58.585 58.200 0.022 0.000 0.973 346 S CB -0.079 63.140 63.200 0.032 0.000 0.888 346 S HN 0.685 nan 8.310 nan 0.000 0.455 347 V N 1.609 121.548 119.914 0.042 0.000 2.769 347 V HA 0.567 4.686 4.120 -0.002 0.000 0.312 347 V C -0.764 175.365 176.094 0.060 0.000 1.061 347 V CA -0.770 61.562 62.300 0.052 0.000 0.931 347 V CB 1.810 33.674 31.823 0.067 0.000 1.010 347 V HN 0.344 nan 8.190 nan 0.000 0.433 348 I N 2.373 122.989 120.570 0.076 0.000 2.439 348 I HA 0.381 4.550 4.170 -0.002 0.000 0.285 348 I C -0.879 175.307 176.117 0.116 0.000 1.021 348 I CA -0.180 61.180 61.300 0.101 0.000 1.091 348 I CB 1.672 39.758 38.000 0.144 0.000 1.242 348 I HN 0.510 nan 8.210 nan 0.000 0.439 349 C N 4.263 123.624 119.300 0.102 0.000 2.255 349 C HA 0.528 4.987 4.460 -0.002 0.000 0.326 349 C C 0.678 175.729 174.990 0.102 0.000 1.258 349 C CA -0.397 58.678 59.018 0.096 0.000 1.676 349 C CB 0.312 28.104 27.740 0.087 0.000 2.314 349 C HN 0.765 nan 8.230 nan 0.000 0.509 350 S N 2.562 118.321 115.700 0.098 0.000 2.482 350 S HA 0.354 4.823 4.470 -0.002 0.000 0.303 350 S C -0.502 174.128 174.600 0.049 0.000 1.091 350 S CA -0.517 57.748 58.200 0.109 0.000 1.057 350 S CB 0.543 63.863 63.200 0.200 0.000 1.031 350 S HN 0.755 nan 8.310 nan 0.000 0.485 351 D N 2.772 123.204 120.400 0.055 0.000 2.382 351 D HA 0.083 4.722 4.640 -0.002 0.000 0.240 351 D C 0.829 177.138 176.300 0.014 0.000 1.146 351 D CA 0.057 54.078 54.000 0.035 0.000 0.897 351 D CB 0.959 41.781 40.800 0.037 0.000 1.197 351 D HN 0.600 nan 8.370 nan 0.000 0.432 352 K N 0.302 120.703 120.400 0.002 0.000 2.035 352 K HA -0.134 4.185 4.320 -0.002 0.000 0.213 352 K C 2.051 178.648 176.600 -0.005 0.000 1.027 352 K CA 1.293 57.568 56.287 -0.020 0.000 0.950 352 K CB -0.572 31.916 32.500 -0.020 0.000 0.790 352 K HN 0.512 nan 8.250 nan 0.000 0.448 353 T N -0.945 113.612 114.554 0.006 0.000 2.594 353 T HA -0.211 4.138 4.350 -0.002 0.000 0.266 353 T C 1.992 176.705 174.700 0.021 0.000 1.070 353 T CA 2.190 64.297 62.100 0.013 0.000 1.166 353 T CB -1.463 67.416 68.868 0.018 0.000 0.862 353 T HN 0.473 nan 8.240 nan 0.000 0.436 354 G N 0.839 109.656 108.800 0.028 0.000 2.421 354 G HA2 -0.149 3.810 3.960 -0.002 0.000 0.216 354 G HA3 -0.149 3.810 3.960 -0.002 0.000 0.216 354 G C 1.958 176.884 174.900 0.044 0.000 1.171 354 G CA 2.075 47.196 45.100 0.035 0.000 0.775 354 G HN 0.796 nan 8.290 nan 0.000 0.543 355 T N -1.319 113.268 114.554 0.056 0.000 3.004 355 T HA 0.218 4.567 4.350 -0.002 0.000 0.243 355 T C 2.449 177.203 174.700 0.091 0.000 1.020 355 T CA 0.320 62.474 62.100 0.092 0.000 1.145 355 T CB -0.306 68.644 68.868 0.135 0.000 0.876 355 T HN 0.108 nan 8.240 nan 0.000 0.449 356 L N 2.096 123.332 121.223 0.023 0.000 2.156 356 L HA 0.144 4.483 4.340 -0.002 0.000 0.208 356 L C 1.801 178.651 176.870 -0.033 0.000 1.095 356 L CA 1.033 55.835 54.840 -0.064 0.000 0.770 356 L CB -0.625 41.330 42.059 -0.173 0.000 0.914 356 L HN 0.556 nan 8.230 nan 0.000 0.439 357 T N -5.777 108.770 114.554 -0.012 0.000 2.905 357 T HA 0.234 4.583 4.350 -0.002 0.000 0.283 357 T C 0.736 175.440 174.700 0.007 0.000 1.031 357 T CA -0.370 61.725 62.100 -0.008 0.000 1.002 357 T CB 1.711 70.573 68.868 -0.010 0.000 1.200 357 T HN -0.104 nan 8.240 nan 0.000 0.560 358 T N 0.723 115.277 114.554 0.000 0.000 3.081 358 T HA 0.150 4.499 4.350 -0.002 0.000 0.250 358 T C 0.936 175.641 174.700 0.008 0.000 1.100 358 T CA 0.467 62.568 62.100 0.001 0.000 1.038 358 T CB -0.675 68.183 68.868 -0.018 0.000 0.962 358 T HN 0.884 nan 8.240 nan 0.000 0.516 359 N N 1.634 120.343 118.700 0.015 0.000 2.747 359 N HA -0.195 4.544 4.740 -0.002 0.000 0.249 359 N C -0.664 174.878 175.510 0.053 0.000 1.107 359 N CA 0.525 53.598 53.050 0.038 0.000 0.707 359 N CB -1.504 37.010 38.487 0.046 0.000 1.054 359 N HN 0.554 nan 8.380 nan 0.000 0.555 360 Q N 0.285 120.084 119.800 -0.002 0.000 2.454 360 Q HA 0.289 4.628 4.340 -0.002 0.000 0.255 360 Q C -0.132 175.817 176.000 -0.085 0.000 1.034 360 Q CA -0.663 55.079 55.803 -0.100 0.000 0.736 360 Q CB 0.838 29.450 28.738 -0.211 0.000 1.210 360 Q HN 0.261 nan 8.270 nan 0.000 0.500 361 M N 1.398 121.044 119.600 0.076 0.000 2.228 361 M HA 0.399 4.878 4.480 -0.002 0.000 0.326 361 M C 0.204 176.571 176.300 0.112 0.000 1.122 361 M CA 0.107 55.483 55.300 0.127 0.000 1.161 361 M CB 0.891 33.615 32.600 0.206 0.000 1.437 361 M HN 0.593 nan 8.290 nan 0.000 0.465 362 S N -0.204 115.535 115.700 0.065 0.000 2.579 362 S HA 0.448 4.917 4.470 -0.002 0.000 0.290 362 S C -1.142 173.466 174.600 0.012 0.000 1.123 362 S CA -1.147 57.078 58.200 0.042 0.000 0.894 362 S CB 0.559 63.750 63.200 -0.015 0.000 1.095 362 S HN 0.369 nan 8.310 nan 0.000 0.450 363 V N 2.387 122.306 119.914 0.008 0.000 2.488 363 V HA 0.177 4.296 4.120 -0.002 0.000 0.277 363 V C 0.894 176.963 176.094 -0.042 0.000 1.046 363 V CA -0.314 61.980 62.300 -0.011 0.000 0.986 363 V CB 0.392 32.212 31.823 -0.005 0.000 0.989 363 V HN 1.196 nan 8.190 nan 0.000 0.475 364 C N 3.990 123.238 119.300 -0.086 0.000 2.865 364 C HA 0.322 4.781 4.460 -0.002 0.000 0.280 364 C C 0.954 175.835 174.990 -0.181 0.000 1.255 364 C CA -0.252 58.689 59.018 -0.129 0.000 1.705 364 C CB -0.876 26.764 27.740 -0.166 0.000 2.080 364 C HN 0.843 nan 8.230 nan 0.000 0.591 365 K N -0.039 120.225 120.400 -0.226 0.000 2.556 365 K HA 0.725 5.044 4.320 -0.002 0.000 0.274 365 K C -1.194 175.487 176.600 0.135 0.000 0.966 365 K CA -0.245 55.894 56.287 -0.248 0.000 0.865 365 K CB 1.980 33.785 32.500 -1.157 0.000 1.444 365 K HN 0.093 nan 8.250 nan 0.000 0.433 366 M N 1.416 121.294 119.600 0.464 0.000 2.622 366 M HA 0.621 5.100 4.480 -0.002 0.000 0.276 366 M C -1.566 175.160 176.300 0.710 0.000 1.265 366 M CA -1.111 54.468 55.300 0.464 0.000 0.850 366 M CB 2.151 34.814 32.600 0.105 0.000 1.720 366 M HN 0.608 nan 8.290 nan 0.000 0.465 367 F N 1.610 121.744 119.950 0.307 0.000 2.639 367 F HA 0.767 5.293 4.527 -0.002 0.000 0.326 367 F C -1.958 173.938 175.800 0.159 0.000 1.150 367 F CA -1.435 56.717 58.000 0.252 0.000 1.057 367 F CB 0.679 39.761 39.000 0.136 0.000 1.300 367 F HN 0.614 nan 8.300 nan 0.000 0.486 368 I N 1.867 122.728 120.570 0.484 0.000 2.982 368 I HA 0.650 4.819 4.170 -0.002 0.000 0.312 368 I C -0.632 175.733 176.117 0.413 0.000 1.041 368 I CA -1.287 60.207 61.300 0.323 0.000 1.053 368 I CB 1.929 40.012 38.000 0.138 0.000 1.248 368 I HN 0.425 nan 8.210 nan 0.000 0.471 369 I N 2.202 122.979 120.570 0.345 0.000 2.441 369 I HA 0.109 4.278 4.170 -0.002 0.000 0.287 369 I C 0.526 176.766 176.117 0.205 0.000 1.049 369 I CA 0.412 61.881 61.300 0.282 0.000 1.381 369 I CB 0.668 38.834 38.000 0.276 0.000 1.409 369 I HN 0.802 nan 8.210 nan 0.000 0.523 370 D N 4.672 125.171 120.400 0.166 0.000 2.338 370 D HA 0.065 4.704 4.640 -0.002 0.000 0.224 370 D C 0.450 176.823 176.300 0.123 0.000 0.967 370 D CA 0.844 54.934 54.000 0.149 0.000 0.896 370 D CB 0.803 41.675 40.800 0.120 0.000 1.028 370 D HN 0.563 nan 8.370 nan 0.000 0.493 371 K N -0.430 120.035 120.400 0.107 0.000 2.572 371 K HA 0.440 4.759 4.320 -0.002 0.000 0.263 371 K C -2.208 174.450 176.600 0.098 0.000 0.932 371 K CA -0.777 55.568 56.287 0.096 0.000 0.838 371 K CB 1.959 34.507 32.500 0.079 0.000 1.366 371 K HN -0.164 nan 8.250 nan 0.000 0.425 372 V N 2.349 122.322 119.914 0.098 0.000 2.488 372 V HA 0.398 4.517 4.120 -0.002 0.000 0.293 372 V C -1.510 174.647 176.094 0.104 0.000 1.027 372 V CA -0.608 61.752 62.300 0.099 0.000 0.862 372 V CB 1.438 33.315 31.823 0.090 0.000 1.008 372 V HN 0.864 nan 8.190 nan 0.000 0.428 373 D N 3.505 123.988 120.400 0.139 0.000 2.375 373 D HA 0.584 5.223 4.640 -0.002 0.000 0.241 373 D C 0.467 176.901 176.300 0.223 0.000 1.361 373 D CA 1.196 55.288 54.000 0.153 0.000 0.995 373 D CB 1.329 42.211 40.800 0.136 0.000 1.312 373 D HN 0.971 nan 8.370 nan 0.000 0.576 374 G N 3.788 112.667 108.800 0.131 0.000 2.514 374 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.265 374 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.265 374 G C 0.513 175.397 174.900 -0.027 0.000 1.150 374 G CA 0.306 45.451 45.100 0.076 0.000 0.959 374 G HN 0.512 nan 8.290 nan 0.000 0.556 375 D N 0.535 120.803 120.400 -0.220 0.000 2.354 375 D HA 0.182 4.821 4.640 -0.002 0.000 0.209 375 D C 0.739 176.861 176.300 -0.297 0.000 1.015 375 D CA 0.298 54.124 54.000 -0.290 0.000 0.867 375 D CB 0.071 40.633 40.800 -0.396 0.000 0.933 375 D HN 0.179 nan 8.370 nan 0.000 0.520 376 F N 1.318 121.266 119.950 -0.003 0.000 2.504 376 F HA 0.145 4.671 4.527 -0.002 0.000 0.369 376 F C 0.860 176.658 175.800 -0.003 0.000 1.082 376 F CA -0.576 57.421 58.000 -0.005 0.000 1.216 376 F CB 0.616 39.615 39.000 -0.000 0.000 1.108 376 F HN -0.139 nan 8.300 nan 0.000 0.554 377 C N 3.533 122.919 119.300 0.144 0.000 2.797 377 C HA 0.854 5.313 4.460 -0.002 0.000 0.306 377 C C -0.738 174.286 174.990 0.057 0.000 1.207 377 C CA -0.378 58.686 59.018 0.077 0.000 1.507 377 C CB 0.900 28.650 27.740 0.017 0.000 2.028 377 C HN 0.953 nan 8.230 nan 0.000 0.475 378 S N 5.834 121.561 115.700 0.046 0.000 2.572 378 S HA 0.692 5.161 4.470 -0.002 0.000 0.274 378 S C -0.877 173.735 174.600 0.019 0.000 1.150 378 S CA -0.687 57.526 58.200 0.022 0.000 0.944 378 S CB 0.722 63.946 63.200 0.040 0.000 1.071 378 S HN 0.795 nan 8.310 nan 0.000 0.479 379 L N 1.922 123.121 121.223 -0.040 0.000 2.994 379 L HA 0.671 5.010 4.340 -0.002 0.000 0.198 379 L C 0.249 177.142 176.870 0.038 0.000 1.530 379 L CA -1.080 53.743 54.840 -0.028 0.000 1.565 379 L CB 0.211 42.094 42.059 -0.292 0.000 2.470 379 L HN 0.795 nan 8.230 nan 0.000 0.564 380 N N -0.530 118.226 118.700 0.093 0.000 3.029 380 N HA 0.117 4.856 4.740 -0.002 0.000 0.198 380 N C -1.379 174.242 175.510 0.186 0.000 1.444 380 N CA -0.142 52.961 53.050 0.087 0.000 0.784 380 N CB 0.625 39.229 38.487 0.196 0.000 1.539 380 N HN 0.436 nan 8.380 nan 0.000 0.582 381 E N 0.514 120.760 120.200 0.076 0.000 2.408 381 E HA 0.306 4.655 4.350 -0.002 0.000 0.259 381 E C -0.555 176.047 176.600 0.004 0.000 1.110 381 E CA 0.494 57.052 56.400 0.263 0.000 0.929 381 E CB 0.956 30.802 29.700 0.244 0.000 0.971 381 E HN 0.254 nan 8.360 nan 0.000 0.438 382 F N -0.777 119.265 119.950 0.154 0.000 2.754 382 F HA 0.414 4.940 4.527 -0.002 0.000 0.320 382 F C -0.347 175.454 175.800 0.002 0.000 1.156 382 F CA -0.747 57.274 58.000 0.035 0.000 0.950 382 F CB 2.223 41.218 39.000 -0.007 0.000 1.388 382 F HN 0.207 nan 8.300 nan 0.000 0.485 383 S N 1.045 116.860 115.700 0.193 0.000 2.548 383 S HA 0.750 5.219 4.470 -0.002 0.000 0.276 383 S C -1.602 173.031 174.600 0.054 0.000 1.129 383 S CA -0.424 57.806 58.200 0.050 0.000 0.931 383 S CB 1.995 65.195 63.200 -0.001 0.000 1.068 383 S HN 0.317 nan 8.310 nan 0.000 0.480 384 I N 2.119 122.690 120.570 0.003 0.000 2.436 384 I HA 0.405 4.574 4.170 -0.002 0.000 0.289 384 I C 0.274 176.378 176.117 -0.021 0.000 1.010 384 I CA -0.067 61.230 61.300 -0.005 0.000 1.098 384 I CB 2.017 40.006 38.000 -0.018 0.000 1.266 384 I HN 0.476 nan 8.210 nan 0.000 0.434 385 T N 3.831 118.376 114.554 -0.015 0.000 2.922 385 T HA 0.750 5.099 4.350 -0.002 0.000 0.285 385 T C 0.030 174.716 174.700 -0.023 0.000 1.005 385 T CA -0.354 61.734 62.100 -0.020 0.000 1.061 385 T CB 1.350 70.210 68.868 -0.012 0.000 1.007 385 T HN 1.097 nan 8.240 nan 0.000 0.502 386 G N 0.877 109.662 108.800 -0.026 0.000 3.435 386 G HA2 -0.003 3.956 3.960 -0.002 0.000 0.683 386 G HA3 -0.003 3.956 3.960 -0.002 0.000 0.683 386 G C 0.512 175.389 174.900 -0.038 0.000 1.189 386 G CA 0.014 45.097 45.100 -0.027 0.000 1.069 386 G HN 0.887 nan 8.290 nan 0.000 0.508 387 S N 0.817 116.487 115.700 -0.049 0.000 2.404 387 S HA 0.173 4.642 4.470 -0.002 0.000 0.223 387 S C 1.420 175.940 174.600 -0.134 0.000 1.040 387 S CA 1.718 59.870 58.200 -0.080 0.000 0.957 387 S CB 0.021 63.176 63.200 -0.075 0.000 0.826 387 S HN 1.116 nan 8.310 nan 0.000 0.491 388 T N 1.975 116.467 114.554 -0.103 0.000 2.855 388 T HA 0.153 4.502 4.350 -0.002 0.000 0.314 388 T C 0.283 174.929 174.700 -0.090 0.000 1.077 388 T CA 0.100 62.121 62.100 -0.131 0.000 1.095 388 T CB 0.055 68.924 68.868 0.003 0.000 0.987 388 T HN 0.300 nan 8.240 nan 0.000 0.546 389 Y N 0.573 120.898 120.300 0.041 0.000 2.680 389 Y HA 0.232 4.781 4.550 -0.002 0.000 0.303 389 Y C 1.755 177.622 175.900 -0.056 0.000 1.166 389 Y CA -0.535 57.570 58.100 0.009 0.000 1.344 389 Y CB -1.288 37.197 38.460 0.041 0.000 1.002 389 Y HN 0.660 nan 8.280 nan 0.000 0.537 390 A N 2.451 125.317 122.820 0.077 0.000 2.565 390 A HA 0.020 4.339 4.320 -0.002 0.000 0.237 390 A C -1.043 176.386 177.584 -0.259 0.000 1.053 390 A CA -0.758 51.179 52.037 -0.167 0.000 0.755 390 A CB -0.043 19.014 19.000 0.095 0.000 0.980 390 A HN 0.166 nan 8.150 nan 0.000 0.506 391 P HA -0.034 nan 4.420 nan 0.000 0.244 391 P C -0.212 176.984 177.300 -0.173 0.000 1.211 391 P CA 0.603 63.529 63.100 -0.289 0.000 0.760 391 P CB -0.002 31.485 31.700 -0.354 0.000 0.961 392 E N 0.608 120.725 120.200 -0.138 0.000 2.152 392 E HA 0.534 4.883 4.350 -0.002 0.000 0.285 392 E C 0.685 177.260 176.600 -0.042 0.000 1.043 392 E CA -0.194 56.168 56.400 -0.063 0.000 0.839 392 E CB 0.539 30.228 29.700 -0.019 0.000 1.069 392 E HN 0.167 nan 8.360 nan 0.000 0.399 393 G N 2.374 111.153 108.800 -0.035 0.000 2.328 393 G HA2 0.232 4.191 3.960 -0.002 0.000 0.295 393 G HA3 0.232 4.191 3.960 -0.002 0.000 0.295 393 G C -1.474 173.416 174.900 -0.017 0.000 1.413 393 G CA -0.804 44.282 45.100 -0.024 0.000 0.817 393 G HN 0.336 nan 8.290 nan 0.000 0.546 394 E N -0.851 119.345 120.200 -0.007 0.000 2.340 394 E HA 0.540 4.889 4.350 -0.002 0.000 0.273 394 E C -0.878 175.735 176.600 0.021 0.000 0.891 394 E CA -0.783 55.621 56.400 0.007 0.000 0.757 394 E CB 3.086 32.794 29.700 0.014 0.000 1.231 394 E HN 0.332 nan 8.360 nan 0.000 0.439 395 V N 3.508 123.446 119.914 0.039 0.000 2.567 395 V HA 0.478 4.597 4.120 -0.002 0.000 0.289 395 V C -0.003 176.173 176.094 0.137 0.000 1.049 395 V CA -0.397 61.954 62.300 0.084 0.000 0.969 395 V CB 0.707 32.565 31.823 0.059 0.000 0.995 395 V HN 0.434 nan 8.190 nan 0.000 0.471 396 L N 2.885 124.209 121.223 0.168 0.000 2.424 396 L HA 0.746 5.085 4.340 -0.002 0.000 0.258 396 L C -0.835 176.050 176.870 0.025 0.000 0.995 396 L CA -1.038 53.863 54.840 0.102 0.000 0.821 396 L CB 2.163 44.246 42.059 0.040 0.000 1.383 396 L HN 0.445 nan 8.230 nan 0.000 0.410 397 K N 1.192 121.539 120.400 -0.089 0.000 2.376 397 K HA 0.414 4.733 4.320 -0.002 0.000 0.257 397 K C -0.355 176.165 176.600 -0.134 0.000 0.939 397 K CA -0.306 55.816 56.287 -0.274 0.000 0.809 397 K CB 0.850 33.121 32.500 -0.382 0.000 1.121 397 K HN 0.628 nan 8.250 nan 0.000 0.425 398 N N 4.922 123.551 118.700 -0.120 0.000 2.705 398 N HA -0.245 4.494 4.740 -0.002 0.000 0.255 398 N C -0.914 174.571 175.510 -0.042 0.000 1.008 398 N CA 1.279 54.289 53.050 -0.068 0.000 0.742 398 N CB -0.645 37.805 38.487 -0.063 0.000 0.906 398 N HN 0.958 nan 8.380 nan 0.000 0.541 399 D N -2.272 118.107 120.400 -0.035 0.000 2.921 399 D HA -0.212 4.427 4.640 -0.002 0.000 0.202 399 D C 0.325 176.622 176.300 -0.005 0.000 1.082 399 D CA 1.870 55.859 54.000 -0.017 0.000 1.014 399 D CB -0.516 40.274 40.800 -0.016 0.000 1.120 399 D HN 0.767 nan 8.370 nan 0.000 0.416 400 K N 0.746 121.142 120.400 -0.006 0.000 2.227 400 K HA 0.557 4.876 4.320 -0.002 0.000 0.280 400 K C -2.934 173.685 176.600 0.032 0.000 1.041 400 K CA -1.621 54.673 56.287 0.011 0.000 0.905 400 K CB 1.540 34.045 32.500 0.010 0.000 1.068 400 K HN -0.230 nan 8.250 nan 0.000 0.470 401 P HA -0.001 nan 4.420 nan 0.000 0.269 401 P C -0.503 176.856 177.300 0.098 0.000 1.205 401 P CA 0.244 63.381 63.100 0.063 0.000 0.780 401 P CB 0.428 32.156 31.700 0.046 0.000 0.858 402 I N -0.294 120.356 120.570 0.132 0.000 3.004 402 I HA 0.359 4.528 4.170 -0.002 0.000 0.305 402 I C -0.014 176.206 176.117 0.172 0.000 1.312 402 I CA -1.067 60.352 61.300 0.199 0.000 0.992 402 I CB 2.591 40.797 38.000 0.342 0.000 1.282 402 I HN 0.137 nan 8.210 nan 0.000 0.449 403 R N 1.975 122.588 120.500 0.187 0.000 2.204 403 R HA 0.350 4.689 4.340 -0.002 0.000 0.341 403 R C 0.520 176.933 176.300 0.189 0.000 1.035 403 R CA -0.057 56.119 56.100 0.127 0.000 0.887 403 R CB 1.081 31.429 30.300 0.080 0.000 1.114 403 R HN 0.773 nan 8.270 nan 0.000 0.473 404 S N 2.870 118.636 115.700 0.111 0.000 2.365 404 S HA -0.192 4.277 4.470 -0.002 0.000 0.225 404 S C 1.885 176.554 174.600 0.116 0.000 1.039 404 S CA 1.634 59.879 58.200 0.075 0.000 1.033 404 S CB -0.222 62.930 63.200 -0.079 0.000 0.887 404 S HN 0.910 nan 8.310 nan 0.000 0.447 405 G N 1.132 109.946 108.800 0.024 0.000 2.475 405 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.220 405 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.220 405 G C 1.148 176.050 174.900 0.003 0.000 1.125 405 G CA 0.717 45.812 45.100 -0.008 0.000 0.755 405 G HN 0.554 nan 8.290 nan 0.000 0.565 406 Q N -0.774 119.008 119.800 -0.030 0.000 2.576 406 Q HA 0.038 4.377 4.340 -0.002 0.000 0.218 406 Q C -0.476 175.182 176.000 -0.570 0.000 0.983 406 Q CA 0.253 55.884 55.803 -0.286 0.000 0.920 406 Q CB -0.070 28.428 28.738 -0.399 0.000 0.973 406 Q HN 0.536 nan 8.270 nan 0.000 0.528 407 F N -0.860 119.100 119.950 0.017 0.000 2.540 407 F HA 0.212 4.738 4.527 -0.002 0.000 0.317 407 F C 0.705 176.496 175.800 -0.015 0.000 1.104 407 F CA -1.093 56.922 58.000 0.026 0.000 0.913 407 F CB 1.568 40.602 39.000 0.056 0.000 1.170 407 F HN -0.208 nan 8.300 nan 0.000 0.450 408 D N 2.059 122.551 120.400 0.154 0.000 2.087 408 D HA -0.070 4.569 4.640 -0.002 0.000 0.201 408 D C 2.281 178.615 176.300 0.057 0.000 0.980 408 D CA 1.547 55.594 54.000 0.078 0.000 0.849 408 D CB -0.581 40.259 40.800 0.066 0.000 1.001 408 D HN 0.814 nan 8.370 nan 0.000 0.452 409 G N 1.842 110.691 108.800 0.082 0.000 2.656 409 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.223 409 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.223 409 G C 1.805 176.673 174.900 -0.052 0.000 1.130 409 G CA 0.988 46.103 45.100 0.025 0.000 0.758 409 G HN 0.233 nan 8.290 nan 0.000 0.608 410 L N 0.675 121.868 121.223 -0.050 0.000 2.056 410 L HA -0.098 4.241 4.340 -0.002 0.000 0.207 410 L C 3.191 179.947 176.870 -0.190 0.000 1.078 410 L CA 1.345 56.086 54.840 -0.164 0.000 0.749 410 L CB -0.874 41.060 42.059 -0.207 0.000 0.901 410 L HN 0.307 nan 8.230 nan 0.000 0.433 411 V N -2.247 117.566 119.914 -0.168 0.000 2.568 411 V HA -0.279 3.840 4.120 -0.002 0.000 0.253 411 V C 2.173 178.129 176.094 -0.231 0.000 1.072 411 V CA 2.089 64.229 62.300 -0.267 0.000 1.084 411 V CB -0.726 30.952 31.823 -0.241 0.000 0.676 411 V HN 0.550 nan 8.190 nan 0.000 0.469 412 E N 0.458 120.556 120.200 -0.170 0.000 2.033 412 E HA -0.141 4.208 4.350 -0.002 0.000 0.189 412 E C 2.195 178.642 176.600 -0.255 0.000 0.979 412 E CA 1.186 57.470 56.400 -0.193 0.000 0.802 412 E CB -0.226 29.402 29.700 -0.120 0.000 0.763 412 E HN 0.614 nan 8.360 nan 0.000 0.449 413 L N 0.597 121.686 121.223 -0.223 0.000 2.089 413 L HA -0.261 4.078 4.340 -0.002 0.000 0.213 413 L C 2.344 179.071 176.870 -0.237 0.000 1.079 413 L CA 1.943 56.643 54.840 -0.233 0.000 0.758 413 L CB -0.302 41.621 42.059 -0.225 0.000 0.891 413 L HN 0.279 nan 8.230 nan 0.000 0.433 414 A N -0.674 121.998 122.820 -0.247 0.000 1.872 414 A HA -0.199 4.120 4.320 -0.002 0.000 0.214 414 A C 2.366 179.799 177.584 -0.250 0.000 1.187 414 A CA 2.078 53.971 52.037 -0.240 0.000 0.614 414 A CB -1.262 17.577 19.000 -0.268 0.000 0.826 414 A HN 0.615 nan 8.150 nan 0.000 0.442 415 T N -0.676 113.699 114.554 -0.298 0.000 2.720 415 T HA -0.167 4.182 4.350 -0.002 0.000 0.268 415 T C 1.832 176.258 174.700 -0.457 0.000 1.037 415 T CA 1.629 63.520 62.100 -0.348 0.000 1.144 415 T CB -0.728 67.892 68.868 -0.413 0.000 0.864 415 T HN 0.355 nan 8.240 nan 0.000 0.444 416 I N 1.042 121.302 120.570 -0.517 0.000 2.179 416 I HA -0.164 4.005 4.170 -0.002 0.000 0.242 416 I C 2.873 178.868 176.117 -0.205 0.000 1.088 416 I CA 1.119 62.171 61.300 -0.414 0.000 1.357 416 I CB -0.724 37.108 38.000 -0.280 0.000 1.051 416 I HN 0.374 nan 8.210 nan 0.000 0.409 417 C N 0.843 120.034 119.300 -0.182 0.000 2.419 417 C HA -0.088 4.371 4.460 -0.002 0.000 0.281 417 C C 3.054 177.982 174.990 -0.104 0.000 1.336 417 C CA 0.939 59.884 59.018 -0.121 0.000 1.770 417 C CB -1.322 26.345 27.740 -0.122 0.000 1.929 417 C HN 0.604 nan 8.230 nan 0.000 0.509 418 A N -0.106 122.637 122.820 -0.129 0.000 1.943 418 A HA 0.176 4.495 4.320 -0.002 0.000 0.213 418 A C 2.025 179.571 177.584 -0.063 0.000 1.181 418 A CA 0.861 52.842 52.037 -0.092 0.000 0.653 418 A CB -0.277 18.666 19.000 -0.096 0.000 0.833 418 A HN 0.553 nan 8.150 nan 0.000 0.451 419 L N -1.509 119.665 121.223 -0.082 0.000 2.168 419 L HA 0.011 4.350 4.340 -0.002 0.000 0.203 419 L C 1.927 178.821 176.870 0.040 0.000 1.078 419 L CA 0.482 55.320 54.840 -0.004 0.000 0.780 419 L CB -0.319 41.764 42.059 0.039 0.000 0.939 419 L HN 0.435 nan 8.230 nan 0.000 0.451 420 C N 1.930 121.250 119.300 0.034 0.000 2.269 420 C HA 0.200 4.659 4.460 -0.002 0.000 0.378 420 C C 0.524 175.534 174.990 0.033 0.000 1.319 420 C CA -0.458 58.597 59.018 0.061 0.000 1.721 420 C CB -2.342 25.450 27.740 0.085 0.000 1.998 420 C HN 0.329 nan 8.230 nan 0.000 0.582 421 N N 0.579 119.288 118.700 0.016 0.000 2.296 421 N HA 0.238 4.977 4.740 -0.002 0.000 0.294 421 N C -0.601 174.915 175.510 0.008 0.000 1.033 421 N CA -0.107 52.945 53.050 0.002 0.000 0.839 421 N CB 1.502 39.974 38.487 -0.024 0.000 1.395 421 N HN 0.277 nan 8.380 nan 0.000 0.479 422 D N 0.951 121.357 120.400 0.010 0.000 2.424 422 D HA 0.205 4.844 4.640 -0.002 0.000 0.220 422 D C -0.302 175.995 176.300 -0.004 0.000 1.150 422 D CA 0.225 54.234 54.000 0.014 0.000 0.831 422 D CB 0.675 41.494 40.800 0.031 0.000 0.981 422 D HN 0.338 nan 8.370 nan 0.000 0.500 423 S N -0.537 115.149 115.700 -0.024 0.000 2.739 423 S HA 0.734 5.203 4.470 -0.002 0.000 0.306 423 S C 0.136 174.708 174.600 -0.047 0.000 1.115 423 S CA -0.614 57.559 58.200 -0.046 0.000 0.985 423 S CB 2.170 65.322 63.200 -0.080 0.000 1.133 423 S HN 0.212 nan 8.310 nan 0.000 0.541 424 S N -0.388 115.277 115.700 -0.058 0.000 2.643 424 S HA 0.728 5.197 4.470 -0.002 0.000 0.270 424 S C -1.587 172.984 174.600 -0.049 0.000 1.166 424 S CA -0.908 57.267 58.200 -0.042 0.000 0.815 424 S CB 0.467 63.660 63.200 -0.011 0.000 1.139 424 S HN 0.507 nan 8.310 nan 0.000 0.472 425 L N 0.743 121.960 121.223 -0.010 0.000 2.333 425 L HA 0.808 5.147 4.340 -0.002 0.000 0.269 425 L C -1.208 175.722 176.870 0.099 0.000 1.010 425 L CA -0.520 54.341 54.840 0.035 0.000 0.818 425 L CB 1.944 44.022 42.059 0.032 0.000 1.306 425 L HN 0.947 nan 8.230 nan 0.000 0.430 426 D N 0.297 120.801 120.400 0.173 0.000 2.753 426 D HA 0.360 4.999 4.640 -0.002 0.000 0.224 426 D C -1.757 174.733 176.300 0.317 0.000 1.213 426 D CA -0.347 53.771 54.000 0.196 0.000 0.833 426 D CB 1.993 42.855 40.800 0.103 0.000 1.607 426 D HN 0.198 nan 8.370 nan 0.000 0.463 427 F N 3.583 123.602 119.950 0.114 0.000 2.382 427 F HA 0.442 4.968 4.527 -0.002 0.000 0.361 427 F C -0.533 175.235 175.800 -0.054 0.000 1.109 427 F CA -0.822 57.169 58.000 -0.015 0.000 1.031 427 F CB 0.416 39.367 39.000 -0.082 0.000 1.234 427 F HN 0.387 nan 8.300 nan 0.000 0.445 428 N N 2.887 121.220 118.700 -0.612 0.000 2.445 428 N HA 0.270 5.009 4.740 -0.002 0.000 0.264 428 N C 0.070 175.086 175.510 -0.823 0.000 1.227 428 N CA -0.299 52.441 53.050 -0.517 0.000 0.963 428 N CB 0.993 39.307 38.487 -0.288 0.000 1.188 428 N HN 0.470 nan 8.380 nan 0.000 0.491 429 E N -1.067 118.864 120.200 -0.449 0.000 2.244 429 E HA -0.024 4.325 4.350 -0.002 0.000 0.196 429 E C 1.587 178.051 176.600 -0.228 0.000 0.939 429 E CA 1.229 57.422 56.400 -0.346 0.000 0.884 429 E CB -0.704 28.895 29.700 -0.169 0.000 0.850 429 E HN 0.870 nan 8.360 nan 0.000 0.481 430 T N 0.557 115.005 114.554 -0.176 0.000 2.751 430 T HA -0.267 4.082 4.350 -0.002 0.000 0.268 430 T C 1.153 175.785 174.700 -0.112 0.000 1.045 430 T CA 1.803 63.834 62.100 -0.115 0.000 1.142 430 T CB -0.305 68.508 68.868 -0.092 0.000 0.851 430 T HN 0.313 nan 8.240 nan 0.000 0.474 431 K N -0.084 120.220 120.400 -0.160 0.000 2.788 431 K HA 0.485 4.804 4.320 -0.002 0.000 0.190 431 K C 1.014 177.515 176.600 -0.164 0.000 1.143 431 K CA -0.285 55.928 56.287 -0.123 0.000 1.099 431 K CB -0.079 32.372 32.500 -0.083 0.000 0.767 431 K HN 0.211 nan 8.250 nan 0.000 0.466 432 G N 1.408 110.040 108.800 -0.280 0.000 2.483 432 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.309 432 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.309 432 G C 0.083 174.894 174.900 -0.149 0.000 0.908 432 G CA 0.723 45.626 45.100 -0.330 0.000 0.943 432 G HN 0.254 nan 8.290 nan 0.000 0.511 433 V N -0.379 119.383 119.914 -0.254 0.000 2.667 433 V HA 0.474 4.593 4.120 -0.002 0.000 0.308 433 V C -0.090 175.999 176.094 -0.009 0.000 1.048 433 V CA -1.329 60.947 62.300 -0.040 0.000 0.928 433 V CB 1.676 33.499 31.823 0.001 0.000 1.004 433 V HN 0.197 nan 8.190 nan 0.000 0.444 434 Y N 2.577 123.045 120.300 0.280 0.000 2.486 434 Y HA 0.314 4.863 4.550 -0.002 0.000 0.348 434 Y C 0.773 176.800 175.900 0.212 0.000 1.000 434 Y CA -0.051 58.224 58.100 0.292 0.000 1.253 434 Y CB 0.280 38.892 38.460 0.253 0.000 1.140 434 Y HN 0.587 nan 8.280 nan 0.000 0.526 435 E N 3.065 123.450 120.200 0.309 0.000 2.191 435 E HA 0.240 4.589 4.350 -0.002 0.000 0.274 435 E C -0.412 176.301 176.600 0.188 0.000 0.948 435 E CA -1.146 55.394 56.400 0.233 0.000 0.802 435 E CB 1.833 31.602 29.700 0.115 0.000 1.137 435 E HN 0.470 nan 8.360 nan 0.000 0.397 436 K N 1.126 121.626 120.400 0.167 0.000 2.188 436 K HA 0.072 4.391 4.320 -0.002 0.000 0.246 436 K C -0.033 176.542 176.600 -0.042 0.000 1.026 436 K CA 0.003 56.225 56.287 -0.108 0.000 0.871 436 K CB 0.588 33.001 32.500 -0.146 0.000 1.042 436 K HN 0.341 nan 8.250 nan 0.000 0.509 437 V N 0.147 120.007 119.914 -0.090 0.000 3.889 437 V HA 0.160 4.279 4.120 -0.002 0.000 0.184 437 V C 1.128 177.195 176.094 -0.044 0.000 1.311 437 V CA 0.648 62.925 62.300 -0.038 0.000 1.277 437 V CB -0.049 31.759 31.823 -0.024 0.000 1.364 437 V HN 0.985 nan 8.190 nan 0.000 0.567 438 G N -0.178 108.582 108.800 -0.067 0.000 3.086 438 G HA2 0.251 4.210 3.960 -0.002 0.000 0.159 438 G HA3 0.251 4.210 3.960 -0.002 0.000 0.159 438 G C -0.197 174.666 174.900 -0.061 0.000 1.654 438 G CA 0.120 45.190 45.100 -0.050 0.000 1.078 438 G HN 0.355 nan 8.290 nan 0.000 0.558 439 E N -0.059 120.107 120.200 -0.058 0.000 2.413 439 E HA 0.388 4.737 4.350 -0.002 0.000 0.263 439 E C 1.328 177.879 176.600 -0.082 0.000 1.015 439 E CA 0.577 56.944 56.400 -0.055 0.000 0.916 439 E CB 1.155 30.823 29.700 -0.054 0.000 0.947 439 E HN 0.416 nan 8.360 nan 0.000 0.440 440 A N 3.119 125.913 122.820 -0.043 0.000 1.972 440 A HA -0.186 4.133 4.320 -0.002 0.000 0.219 440 A C 1.966 179.550 177.584 0.000 0.000 1.169 440 A CA 2.149 54.181 52.037 -0.008 0.000 0.635 440 A CB -0.922 18.126 19.000 0.080 0.000 0.810 440 A HN 0.770 nan 8.150 nan 0.000 0.446 441 T N -3.161 111.383 114.554 -0.016 0.000 3.054 441 T HA 0.076 4.425 4.350 -0.002 0.000 0.259 441 T C 1.517 176.197 174.700 -0.033 0.000 1.092 441 T CA 1.071 63.167 62.100 -0.006 0.000 1.121 441 T CB -0.034 68.822 68.868 -0.021 0.000 0.912 441 T HN 0.596 nan 8.240 nan 0.000 0.489 442 E N 0.957 121.119 120.200 -0.065 0.000 2.075 442 E HA -0.029 4.320 4.350 -0.002 0.000 0.190 442 E C 2.313 178.847 176.600 -0.110 0.000 0.969 442 E CA 1.056 57.414 56.400 -0.069 0.000 0.815 442 E CB -0.287 29.378 29.700 -0.059 0.000 0.776 442 E HN 0.446 nan 8.360 nan 0.000 0.457 443 T N 0.283 114.726 114.554 -0.186 0.000 2.996 443 T HA -0.120 4.229 4.350 -0.002 0.000 0.271 443 T C 1.599 176.105 174.700 -0.323 0.000 1.126 443 T CA 1.148 63.066 62.100 -0.304 0.000 1.103 443 T CB -0.095 68.474 68.868 -0.499 0.000 0.870 443 T HN 0.210 nan 8.240 nan 0.000 0.528 444 A N 1.019 123.737 122.820 -0.170 0.000 1.844 444 A HA 0.260 4.579 4.320 -0.002 0.000 0.212 444 A C 2.294 179.873 177.584 -0.008 0.000 1.221 444 A CA 0.851 52.903 52.037 0.025 0.000 0.607 444 A CB -0.882 18.193 19.000 0.125 0.000 0.878 444 A HN 0.512 nan 8.150 nan 0.000 0.451 445 L N 0.420 121.626 121.223 -0.028 0.000 2.064 445 L HA -0.292 4.046 4.340 -0.002 0.000 0.216 445 L C 3.067 179.902 176.870 -0.057 0.000 1.077 445 L CA 2.233 57.048 54.840 -0.041 0.000 0.766 445 L CB -1.096 40.936 42.059 -0.045 0.000 0.890 445 L HN 0.740 nan 8.230 nan 0.000 0.435 446 T N -4.023 110.491 114.554 -0.067 0.000 2.708 446 T HA -0.211 4.138 4.350 -0.002 0.000 0.266 446 T C 1.807 176.468 174.700 -0.064 0.000 1.037 446 T CA 1.912 63.971 62.100 -0.069 0.000 1.146 446 T CB -0.667 68.157 68.868 -0.073 0.000 0.865 446 T HN 0.234 nan 8.240 nan 0.000 0.435 447 T N 2.432 116.955 114.554 -0.051 0.000 2.737 447 T HA -0.074 4.275 4.350 -0.002 0.000 0.269 447 T C 1.773 176.445 174.700 -0.046 0.000 1.040 447 T CA 1.485 63.564 62.100 -0.035 0.000 1.142 447 T CB -0.686 68.209 68.868 0.045 0.000 0.861 447 T HN 0.311 nan 8.240 nan 0.000 0.456 448 L N 2.104 123.302 121.223 -0.042 0.000 2.042 448 L HA -0.056 4.283 4.340 -0.002 0.000 0.210 448 L C 2.552 179.371 176.870 -0.085 0.000 1.076 448 L CA 1.695 56.500 54.840 -0.058 0.000 0.749 448 L CB -0.914 41.110 42.059 -0.058 0.000 0.893 448 L HN 0.296 nan 8.230 nan 0.000 0.432 449 V N -3.202 116.657 119.914 -0.091 0.000 2.809 449 V HA -0.049 4.070 4.120 -0.002 0.000 0.256 449 V C 2.248 178.285 176.094 -0.096 0.000 1.080 449 V CA 1.320 63.555 62.300 -0.108 0.000 1.102 449 V CB -0.639 31.119 31.823 -0.110 0.000 0.705 449 V HN 0.414 nan 8.190 nan 0.000 0.475 450 E N 1.194 121.344 120.200 -0.084 0.000 2.152 450 E HA -0.077 4.272 4.350 -0.002 0.000 0.192 450 E C 2.149 178.700 176.600 -0.082 0.000 0.983 450 E CA 1.209 57.559 56.400 -0.083 0.000 0.818 450 E CB -0.204 29.436 29.700 -0.101 0.000 0.758 450 E HN 0.681 nan 8.360 nan 0.000 0.467 451 K N 0.346 120.698 120.400 -0.080 0.000 2.288 451 K HA 0.039 4.358 4.320 -0.002 0.000 0.201 451 K C 1.601 178.161 176.600 -0.067 0.000 1.048 451 K CA 0.779 57.025 56.287 -0.069 0.000 0.956 451 K CB 0.041 32.506 32.500 -0.060 0.000 0.746 451 K HN 0.171 nan 8.250 nan 0.000 0.461 452 M N 0.434 119.981 119.600 -0.088 0.000 2.876 452 M HA 0.232 4.711 4.480 -0.002 0.000 0.367 452 M C -1.042 175.186 176.300 -0.121 0.000 1.242 452 M CA -0.871 54.369 55.300 -0.101 0.000 0.889 452 M CB -0.094 32.422 32.600 -0.141 0.000 1.353 452 M HN -0.190 nan 8.290 nan 0.000 0.511 453 N N 1.014 119.658 118.700 -0.094 0.000 2.202 453 N HA -0.056 4.683 4.740 -0.002 0.000 0.283 453 N C 0.996 176.414 175.510 -0.153 0.000 1.391 453 N CA 0.461 53.450 53.050 -0.102 0.000 0.910 453 N CB -0.142 38.326 38.487 -0.032 0.000 1.267 453 N HN 0.499 nan 8.380 nan 0.000 0.493 454 V N -1.999 117.720 119.914 -0.326 0.000 2.867 454 V HA -0.134 3.985 4.120 -0.002 0.000 0.260 454 V C 0.727 176.536 176.094 -0.475 0.000 1.099 454 V CA 1.170 63.180 62.300 -0.483 0.000 1.122 454 V CB -1.051 30.302 31.823 -0.784 0.000 0.708 454 V HN 0.479 nan 8.190 nan 0.000 0.490 455 F N 0.861 120.796 119.950 -0.024 0.000 2.661 455 F HA 0.470 4.996 4.527 -0.002 0.000 0.306 455 F C 1.233 177.024 175.800 -0.016 0.000 1.094 455 F CA -0.998 56.990 58.000 -0.020 0.000 1.254 455 F CB -0.724 38.261 39.000 -0.024 0.000 1.040 455 F HN 0.195 nan 8.300 nan 0.000 0.562 456 N N -0.055 118.711 118.700 0.110 0.000 2.713 456 N HA -0.200 4.539 4.740 -0.002 0.000 0.251 456 N C 0.486 176.036 175.510 0.066 0.000 1.117 456 N CA 1.215 54.306 53.050 0.067 0.000 0.770 456 N CB -1.980 36.545 38.487 0.062 0.000 1.137 456 N HN 0.465 nan 8.380 nan 0.000 0.566 457 T N -0.425 114.183 114.554 0.090 0.000 2.923 457 T HA -0.072 4.277 4.350 -0.002 0.000 0.309 457 T C 0.358 175.078 174.700 0.034 0.000 1.059 457 T CA 0.204 62.342 62.100 0.063 0.000 1.133 457 T CB 0.874 69.784 68.868 0.071 0.000 1.053 457 T HN 0.007 nan 8.240 nan 0.000 0.530 458 E N 2.415 122.629 120.200 0.023 0.000 2.299 458 E HA 0.255 4.604 4.350 -0.002 0.000 0.272 458 E C 1.046 177.651 176.600 0.010 0.000 1.043 458 E CA -0.069 56.339 56.400 0.014 0.000 0.895 458 E CB 1.267 30.974 29.700 0.011 0.000 1.011 458 E HN 0.703 nan 8.360 nan 0.000 0.432 459 V N 1.631 121.547 119.914 0.004 0.000 3.431 459 V HA 0.035 4.154 4.120 -0.002 0.000 0.255 459 V C 1.672 177.763 176.094 -0.005 0.000 1.403 459 V CA 0.074 62.374 62.300 -0.001 0.000 1.101 459 V CB -0.199 31.619 31.823 -0.008 0.000 0.891 459 V HN 0.548 nan 8.190 nan 0.000 0.446 460 R N 2.207 122.704 120.500 -0.005 0.000 2.316 460 R HA -0.054 4.285 4.340 -0.002 0.000 0.232 460 R C 1.172 177.469 176.300 -0.004 0.000 1.137 460 R CA 1.802 57.898 56.100 -0.006 0.000 1.012 460 R CB -0.973 29.325 30.300 -0.004 0.000 0.859 460 R HN 0.618 nan 8.270 nan 0.000 0.474 461 N N 0.853 119.552 118.700 -0.001 0.000 2.353 461 N HA 0.104 4.843 4.740 -0.002 0.000 0.185 461 N C 0.350 175.861 175.510 0.001 0.000 1.098 461 N CA 0.293 53.344 53.050 0.001 0.000 0.872 461 N CB 0.378 38.867 38.487 0.003 0.000 0.970 461 N HN 0.205 nan 8.380 nan 0.000 0.467 462 L N 1.170 122.393 121.223 -0.000 0.000 2.379 462 L HA 0.268 4.607 4.340 -0.002 0.000 0.269 462 L C 1.026 177.894 176.870 -0.004 0.000 1.084 462 L CA -0.738 54.104 54.840 0.002 0.000 0.802 462 L CB 1.016 43.078 42.059 0.005 0.000 1.175 462 L HN -0.007 nan 8.230 nan 0.000 0.448 463 S N 0.539 116.242 115.700 0.004 0.000 2.600 463 S HA 0.151 4.619 4.470 -0.002 0.000 0.265 463 S C 0.757 175.339 174.600 -0.029 0.000 1.325 463 S CA -0.583 57.614 58.200 -0.004 0.000 1.002 463 S CB 1.044 64.260 63.200 0.026 0.000 0.921 463 S HN 0.613 nan 8.310 nan 0.000 0.554 464 K N 0.254 120.581 120.400 -0.121 0.000 2.097 464 K HA -0.028 4.291 4.320 -0.002 0.000 0.206 464 K C 1.405 177.978 176.600 -0.045 0.000 1.049 464 K CA 1.227 57.341 56.287 -0.288 0.000 0.933 464 K CB -0.550 31.266 32.500 -1.141 0.000 0.717 464 K HN 0.518 nan 8.250 nan 0.000 0.442 465 V N 1.252 121.247 119.914 0.135 0.000 3.590 465 V HA -0.095 4.024 4.120 -0.002 0.000 0.272 465 V C 1.565 177.748 176.094 0.148 0.000 1.233 465 V CA 1.193 63.645 62.300 0.253 0.000 1.182 465 V CB -0.752 31.213 31.823 0.237 0.000 0.901 465 V HN 0.374 nan 8.190 nan 0.000 0.485 466 E N 0.332 120.591 120.200 0.098 0.000 2.489 466 E HA 0.026 4.375 4.350 -0.002 0.000 0.208 466 E C 2.023 178.652 176.600 0.047 0.000 0.814 466 E CA -0.197 56.242 56.400 0.065 0.000 1.348 466 E CB 0.189 29.915 29.700 0.043 0.000 1.334 466 E HN 0.284 nan 8.360 nan 0.000 0.672 467 R N 1.149 121.672 120.500 0.038 0.000 2.285 467 R HA 0.118 4.457 4.340 -0.002 0.000 0.213 467 R C 1.607 177.900 176.300 -0.011 0.000 1.068 467 R CA 1.367 57.468 56.100 0.002 0.000 1.004 467 R CB -0.469 29.822 30.300 -0.015 0.000 0.873 467 R HN 0.251 nan 8.270 nan 0.000 0.467 468 A N 0.758 123.620 122.820 0.070 0.000 1.841 468 A HA -0.110 4.209 4.320 -0.002 0.000 0.216 468 A C 0.653 178.244 177.584 0.012 0.000 1.199 468 A CA 1.638 53.721 52.037 0.076 0.000 0.621 468 A CB -0.272 18.849 19.000 0.202 0.000 0.835 468 A HN 0.471 nan 8.150 nan 0.000 0.445 469 N N -0.644 118.073 118.700 0.029 0.000 2.914 469 N HA 0.505 5.243 4.740 -0.002 0.000 0.304 469 N C 0.339 175.854 175.510 0.008 0.000 1.727 469 N CA 0.618 53.674 53.050 0.010 0.000 0.986 469 N CB 1.148 39.647 38.487 0.021 0.000 1.297 469 N HN 0.439 nan 8.380 nan 0.000 0.490 470 A N 0.082 122.901 122.820 -0.002 0.000 2.070 470 A HA 0.040 4.359 4.320 -0.002 0.000 0.221 470 A C 2.051 179.639 177.584 0.007 0.000 1.603 470 A CA 0.555 52.595 52.037 0.004 0.000 0.639 470 A CB -0.767 18.232 19.000 -0.001 0.000 1.235 470 A HN 0.489 nan 8.150 nan 0.000 0.518 471 C N 0.641 119.940 119.300 -0.003 0.000 2.398 471 C HA -0.142 4.317 4.460 -0.002 0.000 0.279 471 C C 2.677 177.668 174.990 0.002 0.000 1.250 471 C CA 1.249 60.269 59.018 0.004 0.000 1.786 471 C CB -1.638 26.084 27.740 -0.031 0.000 2.018 471 C HN 0.617 nan 8.230 nan 0.000 0.494 472 N N 1.095 119.787 118.700 -0.014 0.000 2.080 472 N HA -0.111 4.628 4.740 -0.002 0.000 0.189 472 N C 2.076 177.588 175.510 0.003 0.000 1.036 472 N CA 2.052 55.092 53.050 -0.018 0.000 0.846 472 N CB -0.467 38.005 38.487 -0.025 0.000 1.015 472 N HN 0.677 nan 8.380 nan 0.000 0.423 473 S N 1.067 116.773 115.700 0.010 0.000 2.370 473 S HA -0.155 4.314 4.470 -0.002 0.000 0.226 473 S C 2.372 176.988 174.600 0.027 0.000 1.033 473 S CA 1.858 60.068 58.200 0.017 0.000 1.011 473 S CB -1.213 61.998 63.200 0.018 0.000 0.852 473 S HN 0.255 nan 8.310 nan 0.000 0.457 474 V N 1.210 121.149 119.914 0.040 0.000 2.287 474 V HA -0.121 3.998 4.120 -0.002 0.000 0.248 474 V C 2.267 178.405 176.094 0.074 0.000 1.053 474 V CA 1.888 64.222 62.300 0.057 0.000 1.027 474 V CB -1.077 30.805 31.823 0.099 0.000 0.646 474 V HN 0.574 nan 8.190 nan 0.000 0.447 475 I N 0.085 120.711 120.570 0.093 0.000 2.394 475 I HA -0.150 4.019 4.170 -0.002 0.000 0.251 475 I C 3.015 179.158 176.117 0.043 0.000 1.136 475 I CA 1.711 63.066 61.300 0.092 0.000 1.425 475 I CB -0.500 37.522 38.000 0.036 0.000 1.079 475 I HN 0.256 nan 8.210 nan 0.000 0.425 476 R N 0.826 121.343 120.500 0.028 0.000 2.193 476 R HA -0.139 4.200 4.340 -0.002 0.000 0.229 476 R C 1.428 177.744 176.300 0.027 0.000 1.110 476 R CA 0.913 57.027 56.100 0.024 0.000 0.988 476 R CB -0.194 30.117 30.300 0.019 0.000 0.871 476 R HN 0.533 nan 8.270 nan 0.000 0.458 477 Q N 0.082 119.896 119.800 0.024 0.000 2.222 477 Q HA 0.147 4.486 4.340 -0.002 0.000 0.206 477 Q C 0.931 176.935 176.000 0.007 0.000 0.877 477 Q CA 0.116 55.927 55.803 0.014 0.000 0.958 477 Q CB 0.630 29.372 28.738 0.006 0.000 1.075 477 Q HN 0.326 nan 8.270 nan 0.000 0.483 478 L N -0.689 120.546 121.223 0.019 0.000 2.817 478 L HA 0.330 4.669 4.340 -0.002 0.000 0.248 478 L C -0.115 176.778 176.870 0.038 0.000 1.133 478 L CA 0.143 54.991 54.840 0.013 0.000 0.935 478 L CB 0.636 42.707 42.059 0.019 0.000 1.266 478 L HN 0.217 nan 8.230 nan 0.000 0.535 479 M N 0.076 119.707 119.600 0.052 0.000 2.470 479 M HA 0.328 4.807 4.480 -0.002 0.000 0.285 479 M C -1.122 175.212 176.300 0.057 0.000 1.213 479 M CA -0.372 54.973 55.300 0.074 0.000 0.901 479 M CB 2.743 35.431 32.600 0.147 0.000 1.718 479 M HN -0.163 nan 8.290 nan 0.000 0.469 480 K N 1.554 121.982 120.400 0.046 0.000 2.159 480 K HA 0.342 4.661 4.320 -0.002 0.000 0.266 480 K C -0.413 176.208 176.600 0.034 0.000 0.975 480 K CA -0.405 55.904 56.287 0.038 0.000 0.865 480 K CB 1.420 33.940 32.500 0.033 0.000 1.087 480 K HN 0.604 nan 8.250 nan 0.000 0.446 481 K N 4.488 124.908 120.400 0.033 0.000 2.142 481 K HA 0.017 4.336 4.320 -0.002 0.000 0.250 481 K C 0.484 177.091 176.600 0.012 0.000 1.148 481 K CA -0.197 56.100 56.287 0.016 0.000 1.040 481 K CB 0.409 32.928 32.500 0.032 0.000 1.569 481 K HN 0.590 nan 8.250 nan 0.000 0.361 482 E N 1.793 121.984 120.200 -0.014 0.000 2.065 482 E HA -0.196 4.153 4.350 -0.002 0.000 0.201 482 E C 0.407 177.080 176.600 0.122 0.000 1.016 482 E CA 1.590 58.005 56.400 0.024 0.000 0.818 482 E CB -0.276 29.401 29.700 -0.040 0.000 0.749 482 E HN 0.539 nan 8.360 nan 0.000 0.453 483 F N -3.240 116.741 119.950 0.051 0.000 2.944 483 F HA 0.397 4.923 4.527 -0.002 0.000 0.324 483 F C -0.999 174.823 175.800 0.037 0.000 1.151 483 F CA -1.002 57.011 58.000 0.021 0.000 0.883 483 F CB 1.317 40.299 39.000 -0.031 0.000 1.341 483 F HN -0.241 nan 8.300 nan 0.000 0.456 484 T N 1.546 116.281 114.554 0.303 0.000 2.886 484 T HA 0.673 5.022 4.350 -0.002 0.000 0.292 484 T C -1.344 173.474 174.700 0.198 0.000 1.012 484 T CA -0.746 61.457 62.100 0.172 0.000 0.982 484 T CB 1.171 70.104 68.868 0.108 0.000 1.018 484 T HN 0.862 nan 8.240 nan 0.000 0.451 485 L N 5.364 126.625 121.223 0.063 0.000 2.295 485 L HA 0.384 4.723 4.340 -0.002 0.000 0.288 485 L C 1.212 178.127 176.870 0.076 0.000 1.079 485 L CA -0.999 53.731 54.840 -0.184 0.000 0.830 485 L CB 0.446 42.215 42.059 -0.484 0.000 1.200 485 L HN 0.751 nan 8.230 nan 0.000 0.438 486 E N 3.586 123.934 120.200 0.246 0.000 2.425 486 E HA -0.057 4.292 4.350 -0.002 0.000 0.258 486 E C -0.616 176.179 176.600 0.325 0.000 1.151 486 E CA -0.414 56.163 56.400 0.296 0.000 0.958 486 E CB 0.830 30.708 29.700 0.297 0.000 0.968 486 E HN 0.335 nan 8.360 nan 0.000 0.451 487 F N 1.589 121.641 119.950 0.170 0.000 2.518 487 F HA 0.159 4.684 4.527 -0.002 0.000 0.359 487 F C 0.001 175.891 175.800 0.150 0.000 1.118 487 F CA 0.465 58.552 58.000 0.145 0.000 1.287 487 F CB 0.610 39.671 39.000 0.102 0.000 1.132 487 F HN 0.491 nan 8.300 nan 0.000 0.587 488 S N 5.610 120.962 115.700 -0.580 0.000 2.575 488 S HA 0.418 4.887 4.470 -0.002 0.000 0.278 488 S C 0.207 174.455 174.600 -0.586 0.000 1.139 488 S CA -1.102 56.918 58.200 -0.300 0.000 0.954 488 S CB 1.868 64.999 63.200 -0.115 0.000 1.054 488 S HN 0.817 nan 8.310 nan 0.000 0.483 489 R N 1.340 121.723 120.500 -0.194 0.000 2.355 489 R HA -0.099 4.240 4.340 -0.002 0.000 0.219 489 R C 1.160 177.403 176.300 -0.094 0.000 1.107 489 R CA 1.629 57.691 56.100 -0.063 0.000 1.021 489 R CB -0.362 30.018 30.300 0.134 0.000 0.852 489 R HN 0.850 nan 8.270 nan 0.000 0.475 490 D N 0.835 121.157 120.400 -0.130 0.000 2.106 490 D HA -0.194 4.445 4.640 -0.002 0.000 0.203 490 D C 1.661 177.901 176.300 -0.101 0.000 0.977 490 D CA 0.907 54.857 54.000 -0.084 0.000 0.844 490 D CB -0.388 40.367 40.800 -0.076 0.000 1.002 490 D HN 0.321 nan 8.370 nan 0.000 0.461 491 R N 0.960 121.369 120.500 -0.152 0.000 2.297 491 R HA 0.062 4.401 4.340 -0.002 0.000 0.197 491 R C 0.206 176.412 176.300 -0.156 0.000 0.943 491 R CA -0.217 55.814 56.100 -0.115 0.000 1.038 491 R CB -0.339 29.917 30.300 -0.074 0.000 0.957 491 R HN -0.105 nan 8.270 nan 0.000 0.484 492 K N 1.973 122.170 120.400 -0.337 0.000 3.777 492 K HA -0.222 4.097 4.320 -0.002 0.000 0.276 492 K C -0.763 175.807 176.600 -0.049 0.000 0.877 492 K CA 1.117 57.206 56.287 -0.330 0.000 0.724 492 K CB -1.461 31.087 32.500 0.080 0.000 1.589 492 K HN 0.750 nan 8.250 nan 0.000 0.444 493 S N -1.081 114.474 115.700 -0.241 0.000 2.669 493 S HA 0.738 5.207 4.470 -0.002 0.000 0.266 493 S C -0.914 173.795 174.600 0.182 0.000 1.149 493 S CA -0.744 57.553 58.200 0.161 0.000 0.842 493 S CB 2.248 65.506 63.200 0.096 0.000 1.160 493 S HN 0.575 nan 8.310 nan 0.000 0.487 494 M N 0.214 119.941 119.600 0.212 0.000 2.682 494 M HA 0.808 5.287 4.480 -0.002 0.000 0.272 494 M C -1.762 174.614 176.300 0.127 0.000 1.232 494 M CA -0.378 55.035 55.300 0.189 0.000 0.849 494 M CB 1.643 34.396 32.600 0.256 0.000 1.695 494 M HN 1.510 nan 8.290 nan 0.000 0.481 495 S N 0.519 116.274 115.700 0.091 0.000 2.615 495 S HA 0.875 5.344 4.470 -0.002 0.000 0.269 495 S C -1.120 173.489 174.600 0.016 0.000 1.161 495 S CA -0.263 57.967 58.200 0.050 0.000 0.817 495 S CB 1.620 64.832 63.200 0.019 0.000 1.131 495 S HN 1.758 nan 8.310 nan 0.000 0.467 496 V N -0.977 118.916 119.914 -0.034 0.000 2.686 496 V HA 0.677 4.796 4.120 -0.002 0.000 0.306 496 V C -1.187 174.734 176.094 -0.289 0.000 1.065 496 V CA -0.896 61.343 62.300 -0.102 0.000 0.894 496 V CB 1.013 32.838 31.823 0.003 0.000 1.004 496 V HN 1.008 nan 8.190 nan 0.000 0.424 497 Y N 3.230 123.131 120.300 -0.665 0.000 2.316 497 Y HA 0.678 5.227 4.550 -0.002 0.000 0.331 497 Y C 0.164 175.732 175.900 -0.554 0.000 1.083 497 Y CA 0.219 57.839 58.100 -0.799 0.000 1.206 497 Y CB 1.070 38.562 38.460 -1.614 0.000 1.195 497 Y HN 1.012 nan 8.280 nan 0.000 0.497 498 C N 3.015 122.042 119.300 -0.456 0.000 2.994 498 C HA 0.782 5.241 4.460 -0.002 0.000 0.304 498 C C -0.779 174.126 174.990 -0.142 0.000 1.273 498 C CA -0.949 57.955 59.018 -0.191 0.000 1.537 498 C CB 1.359 29.024 27.740 -0.126 0.000 2.001 498 C HN 0.877 nan 8.230 nan 0.000 0.471 499 S N 1.048 116.736 115.700 -0.020 0.000 2.569 499 S HA 0.808 5.277 4.470 -0.002 0.000 0.280 499 S C -3.194 171.416 174.600 0.016 0.000 1.111 499 S CA -0.976 57.226 58.200 0.003 0.000 0.887 499 S CB 1.963 65.191 63.200 0.048 0.000 1.095 499 S HN 0.606 nan 8.310 nan 0.000 0.476 500 P HA 0.394 nan 4.420 nan 0.000 0.277 500 P C -0.948 176.362 177.300 0.016 0.000 1.276 500 P CA -0.529 62.583 63.100 0.020 0.000 0.788 500 P CB 0.447 32.155 31.700 0.013 0.000 1.114 501 A N 0.267 123.093 122.820 0.011 0.000 2.511 501 A HA 0.467 4.786 4.320 -0.002 0.000 0.340 501 A C 0.166 177.749 177.584 -0.001 0.000 1.396 501 A CA -0.347 51.693 52.037 0.006 0.000 0.887 501 A CB -0.553 18.449 19.000 0.003 0.000 1.145 501 A HN 0.538 nan 8.150 nan 0.000 0.497 502 K N -0.266 120.134 120.400 0.001 0.000 3.451 502 K HA -0.181 4.138 4.320 -0.002 0.000 0.637 502 K C 0.884 177.481 176.600 -0.004 0.000 1.914 502 K CA 1.013 57.298 56.287 -0.003 0.000 1.014 502 K CB -1.419 31.077 32.500 -0.007 0.000 1.767 502 K HN 1.086 nan 8.250 nan 0.000 0.438 503 S N -0.321 115.374 115.700 -0.008 0.000 2.557 503 S HA 0.067 4.536 4.470 -0.002 0.000 0.223 503 S C 1.306 175.898 174.600 -0.014 0.000 0.969 503 S CA 0.791 58.986 58.200 -0.009 0.000 0.927 503 S CB 0.937 64.132 63.200 -0.008 0.000 0.806 503 S HN 0.494 nan 8.310 nan 0.000 0.489 504 S N 1.845 117.534 115.700 -0.019 0.000 2.423 504 S HA 0.054 4.522 4.470 -0.002 0.000 0.231 504 S C 1.449 176.032 174.600 -0.030 0.000 1.014 504 S CA 0.892 59.074 58.200 -0.030 0.000 0.965 504 S CB -0.113 63.063 63.200 -0.039 0.000 0.785 504 S HN 0.535 nan 8.310 nan 0.000 0.495 505 R N -0.458 120.032 120.500 -0.017 0.000 2.517 505 R HA 0.473 4.812 4.340 -0.002 0.000 0.434 505 R C 0.643 176.944 176.300 0.001 0.000 0.884 505 R CA 0.550 56.645 56.100 -0.007 0.000 1.090 505 R CB -0.840 29.458 30.300 -0.003 0.000 1.601 505 R HN 0.125 nan 8.270 nan 0.000 0.579 506 A N 0.470 123.288 122.820 -0.003 0.000 2.248 506 A HA 0.228 4.547 4.320 -0.002 0.000 0.210 506 A C 2.079 179.661 177.584 -0.002 0.000 1.174 506 A CA 0.977 53.013 52.037 -0.002 0.000 0.750 506 A CB -0.608 18.391 19.000 -0.003 0.000 0.780 506 A HN 0.550 nan 8.150 nan 0.000 0.478 507 A N -0.573 122.247 122.820 -0.000 0.000 1.861 507 A HA -0.268 4.051 4.320 -0.002 0.000 0.248 507 A C 1.512 179.092 177.584 -0.006 0.000 2.075 507 A CA 2.659 54.696 52.037 -0.000 0.000 0.818 507 A CB -0.982 18.022 19.000 0.007 0.000 0.844 507 A HN 0.933 nan 8.150 nan 0.000 0.498 508 V N -1.788 118.121 119.914 -0.009 0.000 2.991 508 V HA 0.508 4.627 4.120 -0.002 0.000 0.355 508 V C 1.270 177.346 176.094 -0.030 0.000 1.384 508 V CA 0.354 62.643 62.300 -0.020 0.000 1.171 508 V CB -0.966 30.841 31.823 -0.026 0.000 1.190 508 V HN 1.665 nan 8.190 nan 0.000 0.540 509 G N 2.022 110.810 108.800 -0.021 0.000 2.629 509 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.313 509 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.313 509 G C 0.138 175.003 174.900 -0.058 0.000 1.217 509 G CA 0.482 45.568 45.100 -0.024 0.000 0.994 509 G HN 0.527 nan 8.290 nan 0.000 0.549 510 N N 2.362 121.020 118.700 -0.071 0.000 2.468 510 N HA 0.437 5.176 4.740 -0.002 0.000 0.265 510 N C 0.175 175.475 175.510 -0.350 0.000 1.199 510 N CA 0.454 53.398 53.050 -0.176 0.000 0.928 510 N CB 0.952 39.405 38.487 -0.056 0.000 1.059 510 N HN 0.448 nan 8.380 nan 0.000 0.467 511 K N 1.675 121.747 120.400 -0.547 0.000 2.435 511 K HA 0.462 4.781 4.320 -0.002 0.000 0.251 511 K C -0.418 175.550 176.600 -1.053 0.000 0.954 511 K CA -0.487 55.377 56.287 -0.706 0.000 0.820 511 K CB 2.291 34.397 32.500 -0.656 0.000 1.292 511 K HN 0.445 nan 8.250 nan 0.000 0.436 512 M N 2.222 121.271 119.600 -0.918 0.000 2.134 512 M HA 0.385 4.864 4.480 -0.002 0.000 0.310 512 M C -1.408 174.520 176.300 -0.621 0.000 0.966 512 M CA -0.750 54.094 55.300 -0.761 0.000 0.922 512 M CB 0.764 33.096 32.600 -0.448 0.000 1.537 512 M HN 0.339 nan 8.290 nan 0.000 0.424 513 F N 3.819 123.683 119.950 -0.143 0.000 2.361 513 F HA 0.526 5.052 4.527 -0.002 0.000 0.364 513 F C -0.028 175.737 175.800 -0.058 0.000 1.120 513 F CA -0.981 56.963 58.000 -0.093 0.000 1.102 513 F CB 0.967 39.913 39.000 -0.091 0.000 1.183 513 F HN 0.201 nan 8.300 nan 0.000 0.476 514 V N 5.518 125.512 119.914 0.134 0.000 2.555 514 V HA 0.737 4.856 4.120 -0.002 0.000 0.302 514 V C -0.920 175.224 176.094 0.083 0.000 1.038 514 V CA -0.600 61.757 62.300 0.094 0.000 0.887 514 V CB 1.718 33.584 31.823 0.072 0.000 0.991 514 V HN 0.828 nan 8.190 nan 0.000 0.434 515 K N 4.977 125.434 120.400 0.095 0.000 2.426 515 K HA 0.987 5.306 4.320 -0.002 0.000 0.251 515 K C -0.426 176.259 176.600 0.142 0.000 0.941 515 K CA -0.207 56.132 56.287 0.088 0.000 0.808 515 K CB 2.391 34.929 32.500 0.064 0.000 1.265 515 K HN 1.244 nan 8.250 nan 0.000 0.432 516 G N 0.374 109.259 108.800 0.142 0.000 2.325 516 G HA2 0.462 4.421 3.960 -0.002 0.000 0.295 516 G HA3 0.462 4.421 3.960 -0.002 0.000 0.295 516 G C -1.557 173.442 174.900 0.165 0.000 1.274 516 G CA -0.599 44.627 45.100 0.210 0.000 0.857 516 G HN 0.757 nan 8.290 nan 0.000 0.499 517 A N 0.381 123.315 122.820 0.189 0.000 2.511 517 A HA 0.583 4.902 4.320 -0.002 0.000 0.242 517 A C -0.847 176.801 177.584 0.107 0.000 1.069 517 A CA 0.023 52.144 52.037 0.141 0.000 0.763 517 A CB 0.169 19.258 19.000 0.149 0.000 1.001 517 A HN 0.334 nan 8.150 nan 0.000 0.498 518 P HA -0.187 nan 4.420 nan 0.000 0.214 518 P C 0.942 178.273 177.300 0.051 0.000 1.163 518 P CA 1.696 64.839 63.100 0.071 0.000 0.889 518 P CB 0.163 31.893 31.700 0.049 0.000 0.790 519 E N -0.358 119.868 120.200 0.043 0.000 2.035 519 E HA -0.184 4.165 4.350 -0.002 0.000 0.204 519 E C 2.259 178.877 176.600 0.031 0.000 1.025 519 E CA 1.877 58.294 56.400 0.028 0.000 0.835 519 E CB -1.756 27.963 29.700 0.032 0.000 0.764 519 E HN 0.206 nan 8.360 nan 0.000 0.457 520 G N 0.949 109.776 108.800 0.045 0.000 2.679 520 G HA2 -0.329 3.630 3.960 -0.002 0.000 0.217 520 G HA3 -0.329 3.630 3.960 -0.002 0.000 0.217 520 G C 1.804 176.731 174.900 0.045 0.000 1.267 520 G CA 2.239 47.364 45.100 0.041 0.000 0.799 520 G HN 0.338 nan 8.290 nan 0.000 0.606 521 V N 0.752 120.707 119.914 0.067 0.000 2.252 521 V HA -0.236 3.883 4.120 -0.002 0.000 0.249 521 V C 2.730 178.872 176.094 0.080 0.000 1.056 521 V CA 2.425 64.774 62.300 0.081 0.000 1.022 521 V CB -0.620 31.268 31.823 0.109 0.000 0.641 521 V HN 0.444 nan 8.190 nan 0.000 0.445 522 I N 0.857 121.472 120.570 0.076 0.000 2.381 522 I HA -0.244 3.925 4.170 -0.002 0.000 0.255 522 I C 2.349 178.470 176.117 0.006 0.000 1.140 522 I CA 2.094 63.417 61.300 0.038 0.000 1.404 522 I CB -0.619 37.358 38.000 -0.039 0.000 1.075 522 I HN 0.445 nan 8.210 nan 0.000 0.433 523 D N 0.596 120.999 120.400 0.005 0.000 2.162 523 D HA -0.074 4.565 4.640 -0.002 0.000 0.203 523 D C 1.873 178.168 176.300 -0.008 0.000 0.967 523 D CA 0.866 54.860 54.000 -0.009 0.000 0.840 523 D CB -0.196 40.600 40.800 -0.007 0.000 0.972 523 D HN 0.348 nan 8.370 nan 0.000 0.482 524 R N -0.110 120.397 120.500 0.012 0.000 2.340 524 R HA 0.121 4.460 4.340 -0.002 0.000 0.215 524 R C -0.088 176.219 176.300 0.012 0.000 1.017 524 R CA -0.108 56.000 56.100 0.013 0.000 1.111 524 R CB -0.163 30.155 30.300 0.031 0.000 1.049 524 R HN 0.054 nan 8.270 nan 0.000 0.490 525 C N 0.584 119.888 119.300 0.007 0.000 2.351 525 C HA 0.325 4.784 4.460 -0.002 0.000 0.326 525 C C 0.943 175.877 174.990 -0.095 0.000 1.272 525 C CA -0.900 58.123 59.018 0.008 0.000 1.650 525 C CB 1.123 28.921 27.740 0.096 0.000 2.257 525 C HN 0.487 nan 8.230 nan 0.000 0.505 526 N N 0.515 119.065 118.700 -0.250 0.000 2.181 526 N HA 0.161 4.900 4.740 -0.002 0.000 0.207 526 N C -0.969 174.130 175.510 -0.686 0.000 1.182 526 N CA 0.387 53.123 53.050 -0.523 0.000 0.893 526 N CB 0.640 38.648 38.487 -0.799 0.000 1.032 526 N HN 0.681 nan 8.380 nan 0.000 0.513 527 Y N -0.314 120.028 120.300 0.070 0.000 2.581 527 Y HA 0.529 5.078 4.550 -0.002 0.000 0.345 527 Y C -0.137 175.836 175.900 0.121 0.000 1.036 527 Y CA -1.593 56.554 58.100 0.078 0.000 1.042 527 Y CB 1.465 39.962 38.460 0.062 0.000 1.289 527 Y HN -0.296 nan 8.280 nan 0.000 0.471 528 V N -0.546 119.549 119.914 0.302 0.000 2.638 528 V HA 0.641 4.760 4.120 -0.002 0.000 0.306 528 V C -0.664 175.561 176.094 0.219 0.000 1.052 528 V CA -1.282 61.191 62.300 0.288 0.000 0.885 528 V CB 1.833 33.818 31.823 0.270 0.000 0.999 528 V HN 0.823 nan 8.190 nan 0.000 0.424 529 R N 3.182 123.789 120.500 0.178 0.000 2.196 529 R HA 0.542 4.881 4.340 -0.002 0.000 0.340 529 R C -0.060 176.312 176.300 0.121 0.000 1.043 529 R CA -0.394 55.776 56.100 0.116 0.000 0.883 529 R CB 1.423 31.761 30.300 0.064 0.000 1.078 529 R HN 1.000 nan 8.270 nan 0.000 0.462 530 V N 2.701 122.684 119.914 0.114 0.000 2.071 530 V HA 0.390 4.509 4.120 -0.002 0.000 0.254 530 V C 0.558 176.712 176.094 0.100 0.000 1.456 530 V CA -0.111 62.259 62.300 0.117 0.000 1.383 530 V CB -0.221 31.665 31.823 0.106 0.000 1.433 530 V HN 0.904 nan 8.190 nan 0.000 0.499 531 G N 2.904 111.764 108.800 0.100 0.000 2.912 531 G HA2 -0.166 3.793 3.960 -0.002 0.000 0.246 531 G HA3 -0.166 3.793 3.960 -0.002 0.000 0.246 531 G C 0.429 175.368 174.900 0.065 0.000 0.352 531 G CA 0.650 45.803 45.100 0.090 0.000 1.051 531 G HN 2.146 nan 8.290 nan 0.000 0.501 532 T N -0.461 114.123 114.554 0.050 0.000 3.866 532 T HA -0.093 4.256 4.350 -0.002 0.000 0.344 532 T C 0.898 175.617 174.700 0.031 0.000 0.760 532 T CA 3.066 65.188 62.100 0.038 0.000 1.852 532 T CB -1.461 67.429 68.868 0.036 0.000 1.891 532 T HN 2.994 nan 8.240 nan 0.000 0.783 533 T N -1.800 112.775 114.554 0.035 0.000 2.786 533 T HA 0.605 4.954 4.350 -0.002 0.000 0.316 533 T C -1.333 173.385 174.700 0.031 0.000 1.503 533 T CA -0.839 61.276 62.100 0.025 0.000 1.019 533 T CB 2.088 70.974 68.868 0.030 0.000 1.415 533 T HN 0.461 nan 8.240 nan 0.000 0.496 534 R N 1.272 121.778 120.500 0.011 0.000 2.744 534 R HA 0.815 5.154 4.340 -0.002 0.000 0.279 534 R C -1.874 174.444 176.300 0.030 0.000 0.977 534 R CA -0.721 55.389 56.100 0.017 0.000 0.906 534 R CB 2.191 32.453 30.300 -0.062 0.000 1.197 534 R HN 0.638 nan 8.270 nan 0.000 0.463 535 V N 3.870 123.843 119.914 0.098 0.000 2.888 535 V HA 0.398 4.517 4.120 -0.002 0.000 0.309 535 V C -2.443 173.783 176.094 0.219 0.000 1.114 535 V CA -2.144 60.228 62.300 0.121 0.000 0.940 535 V CB 2.231 34.117 31.823 0.105 0.000 1.021 535 V HN 0.788 nan 8.190 nan 0.000 0.426 536 P HA 0.074 nan 4.420 nan 0.000 0.257 536 P C -0.122 177.264 177.300 0.143 0.000 1.189 536 P CA 0.047 63.304 63.100 0.261 0.000 0.780 536 P CB 0.121 31.926 31.700 0.174 0.000 0.772 537 M N 4.884 124.549 119.600 0.107 0.000 2.255 537 M HA 0.085 4.564 4.480 -0.002 0.000 0.356 537 M C -0.087 176.220 176.300 0.012 0.000 1.338 537 M CA 1.321 56.648 55.300 0.045 0.000 0.962 537 M CB -0.237 32.359 32.600 -0.007 0.000 1.877 537 M HN 0.413 nan 8.290 nan 0.000 0.463 538 T N 1.932 116.490 114.554 0.006 0.000 2.901 538 T HA 0.707 5.056 4.350 -0.002 0.000 0.293 538 T C 0.979 175.663 174.700 -0.028 0.000 1.084 538 T CA -0.631 61.464 62.100 -0.008 0.000 1.008 538 T CB 1.169 70.038 68.868 0.002 0.000 1.170 538 T HN 0.788 nan 8.240 nan 0.000 0.509 539 G N 1.964 110.744 108.800 -0.033 0.000 2.766 539 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.222 539 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.222 539 G C -0.394 174.475 174.900 -0.052 0.000 1.225 539 G CA 1.611 46.685 45.100 -0.043 0.000 0.784 539 G HN 0.753 nan 8.290 nan 0.000 0.631 540 P HA -0.137 nan 4.420 nan 0.000 0.208 540 P C 2.092 179.355 177.300 -0.062 0.000 1.180 540 P CA 2.549 65.612 63.100 -0.062 0.000 0.935 540 P CB -0.768 30.892 31.700 -0.067 0.000 0.785 541 V N 0.818 120.705 119.914 -0.045 0.000 2.418 541 V HA -0.286 3.833 4.120 -0.002 0.000 0.258 541 V C 2.849 178.890 176.094 -0.089 0.000 1.088 541 V CA 2.584 64.858 62.300 -0.043 0.000 1.091 541 V CB -1.652 30.168 31.823 -0.005 0.000 0.669 541 V HN 0.238 nan 8.190 nan 0.000 0.461 542 K N -0.260 120.085 120.400 -0.091 0.000 2.044 542 K HA -0.137 4.182 4.320 -0.002 0.000 0.204 542 K C 2.250 178.780 176.600 -0.116 0.000 1.049 542 K CA 1.132 57.345 56.287 -0.122 0.000 0.945 542 K CB -0.080 32.363 32.500 -0.094 0.000 0.724 542 K HN 0.384 nan 8.250 nan 0.000 0.440 543 E N 1.210 121.356 120.200 -0.091 0.000 2.085 543 E HA -0.214 4.134 4.350 -0.002 0.000 0.194 543 E C 1.865 178.405 176.600 -0.100 0.000 0.994 543 E CA 1.184 57.533 56.400 -0.084 0.000 0.801 543 E CB -0.190 29.467 29.700 -0.071 0.000 0.743 543 E HN 0.146 nan 8.360 nan 0.000 0.453 544 K N 1.113 121.446 120.400 -0.111 0.000 2.026 544 K HA -0.053 4.266 4.320 -0.002 0.000 0.208 544 K C 2.128 178.615 176.600 -0.187 0.000 1.048 544 K CA 0.952 57.152 56.287 -0.145 0.000 0.929 544 K CB -0.589 31.828 32.500 -0.138 0.000 0.713 544 K HN 0.089 nan 8.250 nan 0.000 0.439 545 I N 0.417 120.894 120.570 -0.156 0.000 2.091 545 I HA -0.346 3.823 4.170 -0.002 0.000 0.239 545 I C 2.152 178.240 176.117 -0.048 0.000 1.061 545 I CA 1.523 62.781 61.300 -0.071 0.000 1.317 545 I CB -0.306 37.530 38.000 -0.274 0.000 1.031 545 I HN 0.141 nan 8.210 nan 0.000 0.401 546 L N 0.368 121.530 121.223 -0.100 0.000 2.083 546 L HA -0.220 4.119 4.340 -0.002 0.000 0.209 546 L C 2.841 179.668 176.870 -0.071 0.000 1.083 546 L CA 1.622 56.418 54.840 -0.074 0.000 0.752 546 L CB -0.824 41.193 42.059 -0.070 0.000 0.899 546 L HN 0.404 nan 8.230 nan 0.000 0.433 547 S N -0.085 115.560 115.700 -0.093 0.000 2.359 547 S HA -0.189 4.279 4.470 -0.002 0.000 0.222 547 S C 1.934 176.470 174.600 -0.107 0.000 1.038 547 S CA 1.577 59.724 58.200 -0.088 0.000 1.051 547 S CB -1.052 62.090 63.200 -0.097 0.000 0.944 547 S HN 0.168 nan 8.310 nan 0.000 0.433 548 V N 2.555 122.348 119.914 -0.201 0.000 2.469 548 V HA -0.132 3.986 4.120 -0.002 0.000 0.251 548 V C 2.553 178.468 176.094 -0.300 0.000 1.064 548 V CA 1.471 63.579 62.300 -0.321 0.000 1.066 548 V CB -0.939 30.501 31.823 -0.638 0.000 0.667 548 V HN 0.495 nan 8.190 nan 0.000 0.461 549 I N 0.285 120.767 120.570 -0.147 0.000 2.264 549 I HA -0.249 3.920 4.170 -0.002 0.000 0.248 549 I C 2.427 178.567 176.117 0.038 0.000 1.111 549 I CA 1.895 63.163 61.300 -0.052 0.000 1.382 549 I CB -0.932 37.058 38.000 -0.017 0.000 1.060 549 I HN 0.380 nan 8.210 nan 0.000 0.418 550 K N 0.920 121.332 120.400 0.021 0.000 2.116 550 K HA -0.167 4.151 4.320 -0.002 0.000 0.203 550 K C 2.129 178.788 176.600 0.098 0.000 1.052 550 K CA 0.900 57.218 56.287 0.052 0.000 0.952 550 K CB 0.049 32.561 32.500 0.020 0.000 0.729 550 K HN 0.254 nan 8.250 nan 0.000 0.446 551 E N -0.402 119.865 120.200 0.112 0.000 2.031 551 E HA -0.208 4.141 4.350 -0.002 0.000 0.193 551 E C 1.377 178.169 176.600 0.320 0.000 0.994 551 E CA 1.338 57.849 56.400 0.186 0.000 0.800 551 E CB -0.131 29.691 29.700 0.204 0.000 0.752 551 E HN 0.379 nan 8.360 nan 0.000 0.447 552 W N 0.165 121.500 121.300 0.057 0.000 2.392 552 W HA 0.033 4.692 4.660 -0.002 0.000 0.279 552 W C 2.259 178.807 176.519 0.048 0.000 1.225 552 W CA 1.337 58.720 57.345 0.064 0.000 1.233 552 W CB -0.827 28.694 29.460 0.101 0.000 1.122 552 W HN 0.254 nan 8.180 nan 0.000 0.561 553 G N -2.475 106.489 108.800 0.275 0.000 2.709 553 G HA2 -0.016 3.943 3.960 -0.002 0.000 0.208 553 G HA3 -0.016 3.943 3.960 -0.002 0.000 0.208 553 G C 1.365 176.329 174.900 0.107 0.000 1.129 553 G CA 1.032 46.231 45.100 0.166 0.000 0.793 553 G HN 0.174 nan 8.290 nan 0.000 0.524 554 T N 0.384 114.997 114.554 0.099 0.000 3.034 554 T HA 0.280 4.629 4.350 -0.002 0.000 0.248 554 T C 1.617 176.351 174.700 0.056 0.000 1.040 554 T CA 0.327 62.463 62.100 0.061 0.000 1.107 554 T CB 0.308 69.201 68.868 0.043 0.000 0.932 554 T HN 0.317 nan 8.240 nan 0.000 0.474 555 G N 0.723 109.570 108.800 0.078 0.000 2.716 555 G HA2 0.097 4.056 3.960 -0.002 0.000 0.251 555 G HA3 0.097 4.056 3.960 -0.002 0.000 0.251 555 G C 0.699 175.624 174.900 0.041 0.000 1.224 555 G CA -0.478 44.660 45.100 0.063 0.000 0.891 555 G HN 0.256 nan 8.290 nan 0.000 0.561 556 R N -0.640 119.874 120.500 0.024 0.000 2.249 556 R HA -0.101 4.238 4.340 -0.002 0.000 0.230 556 R C 1.451 177.750 176.300 -0.003 0.000 1.121 556 R CA 1.456 57.562 56.100 0.009 0.000 0.997 556 R CB -0.139 30.162 30.300 0.001 0.000 0.867 556 R HN 0.609 nan 8.270 nan 0.000 0.465 557 D N 0.280 120.676 120.400 -0.007 0.000 2.144 557 D HA -0.124 4.515 4.640 -0.002 0.000 0.200 557 D C 0.457 176.746 176.300 -0.019 0.000 0.978 557 D CA 1.862 55.837 54.000 -0.041 0.000 0.833 557 D CB -0.231 40.512 40.800 -0.096 0.000 0.961 557 D HN 0.417 nan 8.370 nan 0.000 0.470 558 T N -1.090 113.475 114.554 0.018 0.000 3.626 558 T HA -0.231 4.118 4.350 -0.002 0.000 0.393 558 T C 0.065 174.783 174.700 0.031 0.000 0.765 558 T CA 0.218 62.336 62.100 0.031 0.000 2.006 558 T CB -2.553 66.325 68.868 0.016 0.000 1.739 558 T HN 0.124 nan 8.240 nan 0.000 0.720 559 L N -0.208 121.050 121.223 0.057 0.000 2.344 559 L HA 0.670 5.009 4.340 -0.002 0.000 0.272 559 L C 0.879 177.813 176.870 0.107 0.000 1.035 559 L CA -1.352 53.525 54.840 0.063 0.000 0.807 559 L CB 1.400 43.485 42.059 0.044 0.000 1.237 559 L HN 0.343 nan 8.230 nan 0.000 0.442 560 R N 0.975 121.528 120.500 0.089 0.000 2.254 560 R HA 0.488 4.827 4.340 -0.002 0.000 0.318 560 R C -1.470 174.907 176.300 0.127 0.000 1.031 560 R CA -0.397 55.760 56.100 0.094 0.000 0.905 560 R CB 0.758 31.095 30.300 0.062 0.000 1.050 560 R HN 0.691 nan 8.270 nan 0.000 0.456 561 C N 5.788 125.172 119.300 0.141 0.000 2.355 561 C HA 0.483 4.942 4.460 -0.002 0.000 0.332 561 C C -0.274 174.777 174.990 0.101 0.000 1.255 561 C CA -0.827 58.283 59.018 0.154 0.000 1.792 561 C CB 0.669 28.515 27.740 0.177 0.000 2.300 561 C HN 0.699 nan 8.230 nan 0.000 0.515 562 L N 3.265 124.538 121.223 0.082 0.000 2.316 562 L HA 0.539 4.878 4.340 -0.002 0.000 0.280 562 L C 0.577 177.472 176.870 0.041 0.000 1.006 562 L CA -0.146 54.732 54.840 0.062 0.000 0.836 562 L CB 0.955 43.041 42.059 0.045 0.000 1.221 562 L HN 0.836 nan 8.230 nan 0.000 0.418 563 A N 5.475 128.338 122.820 0.072 0.000 2.462 563 A HA 0.628 4.947 4.320 -0.002 0.000 0.243 563 A C -0.326 177.271 177.584 0.023 0.000 1.076 563 A CA -0.027 52.075 52.037 0.109 0.000 0.773 563 A CB 0.320 19.435 19.000 0.192 0.000 1.010 563 A HN 0.694 nan 8.150 nan 0.000 0.493 564 L N 1.437 122.587 121.223 -0.121 0.000 2.381 564 L HA 0.740 5.079 4.340 -0.002 0.000 0.274 564 L C 0.214 176.940 176.870 -0.241 0.000 0.988 564 L CA -0.353 54.386 54.840 -0.168 0.000 0.824 564 L CB 1.682 43.614 42.059 -0.212 0.000 1.263 564 L HN 0.881 nan 8.230 nan 0.000 0.410 565 A N 1.728 124.503 122.820 -0.075 0.000 2.564 565 A HA 0.949 5.268 4.320 -0.002 0.000 0.288 565 A C -0.672 176.952 177.584 0.067 0.000 1.164 565 A CA -0.480 51.540 52.037 -0.028 0.000 0.712 565 A CB 2.297 21.326 19.000 0.048 0.000 1.303 565 A HN 0.636 nan 8.150 nan 0.000 0.418 566 T N -1.342 113.263 114.554 0.085 0.000 2.933 566 T HA 0.646 4.995 4.350 -0.002 0.000 0.305 566 T C -0.759 173.955 174.700 0.023 0.000 1.092 566 T CA -0.638 61.525 62.100 0.104 0.000 1.008 566 T CB 1.520 70.529 68.868 0.234 0.000 1.102 566 T HN 0.780 nan 8.240 nan 0.000 0.469 567 R N 1.989 122.447 120.500 -0.070 0.000 2.202 567 R HA 0.244 4.583 4.340 -0.002 0.000 0.334 567 R C 0.010 176.245 176.300 -0.107 0.000 1.036 567 R CA -0.483 55.586 56.100 -0.052 0.000 0.878 567 R CB 0.456 30.712 30.300 -0.074 0.000 1.067 567 R HN 0.701 nan 8.270 nan 0.000 0.457 568 D N 1.610 121.989 120.400 -0.035 0.000 2.123 568 D HA -0.082 4.557 4.640 -0.002 0.000 0.200 568 D C 0.341 176.594 176.300 -0.079 0.000 0.976 568 D CA 1.527 55.492 54.000 -0.059 0.000 0.831 568 D CB 0.354 41.135 40.800 -0.033 0.000 0.974 568 D HN 0.559 nan 8.370 nan 0.000 0.469 569 T N 0.831 115.360 114.554 -0.042 0.000 3.378 569 T HA 0.334 4.683 4.350 -0.002 0.000 0.359 569 T C -2.516 172.167 174.700 -0.028 0.000 1.815 569 T CA -1.677 60.402 62.100 -0.034 0.000 1.509 569 T CB 1.353 70.221 68.868 -0.000 0.000 1.049 569 T HN -0.072 nan 8.240 nan 0.000 0.705 570 P HA 0.214 nan 4.420 nan 0.000 0.269 570 P C -2.219 175.100 177.300 0.032 0.000 1.215 570 P CA -1.072 61.987 63.100 -0.069 0.000 0.780 570 P CB 0.046 31.580 31.700 -0.277 0.000 0.898 571 P HA 0.048 nan 4.420 nan 0.000 0.270 571 P C -0.105 177.253 177.300 0.098 0.000 1.227 571 P CA 0.113 63.257 63.100 0.073 0.000 0.788 571 P CB 0.598 32.333 31.700 0.059 0.000 0.926 572 K N 0.959 121.393 120.400 0.057 0.000 2.382 572 K HA 0.017 4.336 4.320 -0.002 0.000 0.275 572 K C 1.570 178.164 176.600 -0.009 0.000 1.009 572 K CA -0.184 56.132 56.287 0.048 0.000 0.970 572 K CB 0.381 32.894 32.500 0.022 0.000 0.934 572 K HN 0.297 nan 8.250 nan 0.000 0.479 573 R N 2.919 123.393 120.500 -0.044 0.000 2.179 573 R HA -0.254 4.085 4.340 -0.002 0.000 0.238 573 R C 1.839 178.044 176.300 -0.158 0.000 1.119 573 R CA 2.554 58.538 56.100 -0.192 0.000 0.915 573 R CB -0.513 29.682 30.300 -0.174 0.000 0.870 573 R HN 0.835 nan 8.270 nan 0.000 0.432 574 E N 0.475 120.616 120.200 -0.099 0.000 2.393 574 E HA -0.201 4.148 4.350 -0.002 0.000 0.201 574 E C 0.266 176.826 176.600 -0.067 0.000 1.025 574 E CA 1.290 57.641 56.400 -0.080 0.000 0.856 574 E CB -0.234 29.437 29.700 -0.048 0.000 0.771 574 E HN 0.477 nan 8.360 nan 0.000 0.526 575 E N 0.338 120.500 120.200 -0.064 0.000 2.403 575 E HA 0.243 4.592 4.350 -0.002 0.000 0.188 575 E C 0.089 176.649 176.600 -0.067 0.000 1.056 575 E CA 0.074 56.454 56.400 -0.033 0.000 0.892 575 E CB -0.031 29.669 29.700 -0.001 0.000 1.049 575 E HN 0.407 nan 8.360 nan 0.000 0.465 576 M N 0.705 120.211 119.600 -0.158 0.000 2.197 576 M HA 0.263 4.742 4.480 -0.002 0.000 0.301 576 M C -0.583 175.643 176.300 -0.123 0.000 0.987 576 M CA -0.798 54.334 55.300 -0.280 0.000 0.921 576 M CB 2.777 35.006 32.600 -0.618 0.000 1.569 576 M HN -0.334 nan 8.290 nan 0.000 0.431 577 V N 5.015 125.000 119.914 0.119 0.000 2.356 577 V HA 0.128 4.247 4.120 -0.002 0.000 0.258 577 V C 1.015 177.207 176.094 0.164 0.000 1.065 577 V CA -0.234 62.123 62.300 0.096 0.000 0.935 577 V CB -0.236 31.657 31.823 0.117 0.000 1.061 577 V HN 0.838 nan 8.190 nan 0.000 0.484 578 L N 3.411 124.611 121.223 -0.038 0.000 2.737 578 L HA 0.132 4.471 4.340 -0.002 0.000 0.246 578 L C 0.684 177.647 176.870 0.156 0.000 1.153 578 L CA 0.380 55.182 54.840 -0.063 0.000 0.920 578 L CB -0.516 41.235 42.059 -0.514 0.000 1.090 578 L HN 0.779 nan 8.230 nan 0.000 0.430 579 D N -1.124 119.357 120.400 0.134 0.000 2.692 579 D HA 0.040 4.679 4.640 -0.002 0.000 0.290 579 D C -0.342 175.793 176.300 -0.274 0.000 1.455 579 D CA -0.182 53.844 54.000 0.043 0.000 0.796 579 D CB 0.299 41.162 40.800 0.105 0.000 1.131 579 D HN 0.274 nan 8.370 nan 0.000 0.467 580 D N 0.096 120.307 120.400 -0.315 0.000 2.468 580 D HA 0.026 4.665 4.640 -0.002 0.000 0.272 580 D C -0.217 175.583 176.300 -0.834 0.000 1.221 580 D CA -0.531 53.194 54.000 -0.459 0.000 0.860 580 D CB 0.701 41.378 40.800 -0.206 0.000 1.190 580 D HN -0.132 nan 8.370 nan 0.000 0.509 581 S N 1.029 115.952 115.700 -1.295 0.000 3.772 581 S HA 0.076 4.545 4.470 -0.002 0.000 0.191 581 S C 0.818 174.892 174.600 -0.878 0.000 1.060 581 S CA 0.621 57.802 58.200 -1.700 0.000 1.051 581 S CB -0.870 61.778 63.200 -0.919 0.000 1.578 581 S HN 0.518 nan 8.310 nan 0.000 0.481 582 S N 2.888 118.151 115.700 -0.728 0.000 2.786 582 S HA 0.241 4.710 4.470 -0.002 0.000 0.269 582 S C 1.133 175.537 174.600 -0.326 0.000 1.040 582 S CA -0.664 57.307 58.200 -0.381 0.000 1.099 582 S CB -0.235 62.797 63.200 -0.280 0.000 0.936 582 S HN 0.558 nan 8.310 nan 0.000 0.450 583 R N 0.296 120.556 120.500 -0.400 0.000 2.310 583 R HA 0.360 4.699 4.340 -0.002 0.000 0.202 583 R C 0.700 176.570 176.300 -0.716 0.000 0.933 583 R CA 0.139 55.913 56.100 -0.544 0.000 1.054 583 R CB -0.264 29.676 30.300 -0.601 0.000 0.985 583 R HN 0.298 nan 8.270 nan 0.000 0.489 584 F N 1.101 120.771 119.950 -0.466 0.000 2.084 584 F HA -0.135 4.391 4.527 -0.002 0.000 0.296 584 F C 2.394 178.127 175.800 -0.113 0.000 1.111 584 F CA 0.846 58.740 58.000 -0.175 0.000 1.224 584 F CB -0.947 38.044 39.000 -0.014 0.000 0.991 584 F HN -0.022 nan 8.300 nan 0.000 0.471 585 M N 0.256 119.905 119.600 0.082 0.000 2.144 585 M HA -0.258 4.221 4.480 -0.002 0.000 0.260 585 M C 2.260 178.569 176.300 0.015 0.000 1.067 585 M CA 1.996 57.317 55.300 0.035 0.000 1.095 585 M CB -0.369 32.223 32.600 -0.013 0.000 1.365 585 M HN 0.283 nan 8.290 nan 0.000 0.406 586 E N -0.349 119.811 120.200 -0.067 0.000 2.058 586 E HA -0.240 4.109 4.350 -0.002 0.000 0.194 586 E C 1.657 178.306 176.600 0.081 0.000 0.997 586 E CA 1.756 58.124 56.400 -0.054 0.000 0.801 586 E CB -0.332 29.266 29.700 -0.170 0.000 0.746 586 E HN 0.679 nan 8.360 nan 0.000 0.450 587 Y N 0.919 121.283 120.300 0.108 0.000 2.352 587 Y HA 0.001 4.550 4.550 -0.002 0.000 0.292 587 Y C 0.899 176.837 175.900 0.064 0.000 1.136 587 Y CA 0.726 58.884 58.100 0.097 0.000 1.227 587 Y CB -0.148 38.384 38.460 0.120 0.000 0.991 587 Y HN 0.072 nan 8.280 nan 0.000 0.545 588 E N 0.959 121.282 120.200 0.205 0.000 2.201 588 E HA 0.190 4.539 4.350 -0.002 0.000 0.272 588 E C 0.191 176.842 176.600 0.085 0.000 1.228 588 E CA -0.126 56.347 56.400 0.122 0.000 1.305 588 E CB -0.012 29.752 29.700 0.106 0.000 1.381 588 E HN 0.292 nan 8.360 nan 0.000 0.475 589 T N -2.842 111.762 114.554 0.083 0.000 2.696 589 T HA 0.242 4.591 4.350 -0.002 0.000 0.291 589 T C 0.023 174.753 174.700 0.050 0.000 1.095 589 T CA -0.790 61.343 62.100 0.055 0.000 1.026 589 T CB 1.330 70.227 68.868 0.048 0.000 1.390 589 T HN 0.089 nan 8.240 nan 0.000 0.513 590 D N -0.081 120.331 120.400 0.019 0.000 2.692 590 D HA -0.135 4.504 4.640 -0.002 0.000 0.233 590 D C -0.416 175.921 176.300 0.061 0.000 1.172 590 D CA 0.647 54.650 54.000 0.004 0.000 0.636 590 D CB -1.569 39.266 40.800 0.058 0.000 1.028 590 D HN 0.615 nan 8.370 nan 0.000 0.419 591 L N -0.539 120.711 121.223 0.046 0.000 2.431 591 L HA 0.585 4.924 4.340 -0.002 0.000 0.260 591 L C 1.149 178.107 176.870 0.147 0.000 1.098 591 L CA -0.268 54.630 54.840 0.097 0.000 0.800 591 L CB 1.363 43.471 42.059 0.081 0.000 1.210 591 L HN 0.258 nan 8.230 nan 0.000 0.465 592 T N -1.556 113.107 114.554 0.182 0.000 2.815 592 T HA 0.357 4.706 4.350 -0.002 0.000 0.289 592 T C -0.630 174.173 174.700 0.172 0.000 1.000 592 T CA -0.507 61.731 62.100 0.230 0.000 0.958 592 T CB 0.583 69.595 68.868 0.240 0.000 0.944 592 T HN 0.285 nan 8.240 nan 0.000 0.442 593 F N 5.261 125.256 119.950 0.075 0.000 2.578 593 F HA 0.360 4.886 4.527 -0.002 0.000 0.381 593 F C 1.191 177.018 175.800 0.045 0.000 1.069 593 F CA 0.090 58.116 58.000 0.044 0.000 1.231 593 F CB 0.929 39.950 39.000 0.035 0.000 1.086 593 F HN 0.523 nan 8.300 nan 0.000 0.564 594 V N 3.966 123.405 119.914 -0.792 0.000 3.570 594 V HA 0.704 4.823 4.120 -0.002 0.000 0.257 594 V C 0.486 176.090 176.094 -0.816 0.000 1.272 594 V CA 0.853 62.825 62.300 -0.547 0.000 1.079 594 V CB -0.080 31.580 31.823 -0.273 0.000 0.829 594 V HN 1.215 nan 8.190 nan 0.000 0.454 595 G N -0.617 107.271 108.800 -1.521 0.000 2.358 595 G HA2 0.443 4.402 3.960 -0.002 0.000 0.301 595 G HA3 0.443 4.402 3.960 -0.002 0.000 0.301 595 G C -1.733 172.772 174.900 -0.658 0.000 1.539 595 G CA 0.131 44.646 45.100 -0.975 0.000 0.893 595 G HN 1.121 nan 8.290 nan 0.000 0.636 596 V N 0.190 119.803 119.914 -0.502 0.000 2.769 596 V HA 0.915 5.034 4.120 -0.002 0.000 0.312 596 V C -0.728 175.243 176.094 -0.205 0.000 1.058 596 V CA -0.673 61.427 62.300 -0.334 0.000 0.952 596 V CB 1.787 33.364 31.823 -0.409 0.000 1.019 596 V HN 1.060 nan 8.190 nan 0.000 0.445 597 V N 4.216 124.128 119.914 -0.003 0.000 2.823 597 V HA 0.899 5.018 4.120 -0.002 0.000 0.312 597 V C 0.449 176.697 176.094 0.256 0.000 1.072 597 V CA 0.169 62.556 62.300 0.145 0.000 0.937 597 V CB 2.062 33.906 31.823 0.035 0.000 1.013 597 V HN 1.228 nan 8.190 nan 0.000 0.430 598 G N 4.552 113.541 108.800 0.314 0.000 2.495 598 G HA2 0.777 4.736 3.960 -0.002 0.000 0.318 598 G HA3 0.777 4.736 3.960 -0.002 0.000 0.318 598 G C -0.870 174.061 174.900 0.053 0.000 1.257 598 G CA -0.669 44.570 45.100 0.232 0.000 0.962 598 G HN 0.692 nan 8.290 nan 0.000 0.483 599 M N 0.887 120.515 119.600 0.048 0.000 2.691 599 M HA 0.873 5.352 4.480 -0.002 0.000 0.293 599 M C -2.003 174.300 176.300 0.005 0.000 1.259 599 M CA -1.194 54.115 55.300 0.014 0.000 0.827 599 M CB 2.368 34.989 32.600 0.034 0.000 1.753 599 M HN 0.452 nan 8.290 nan 0.000 0.465 600 L N 1.117 122.336 121.223 -0.006 0.000 2.401 600 L HA 0.600 4.939 4.340 -0.002 0.000 0.266 600 L C -1.749 175.117 176.870 -0.006 0.000 0.991 600 L CA 0.113 54.947 54.840 -0.011 0.000 0.818 600 L CB 2.107 44.145 42.059 -0.035 0.000 1.321 600 L HN 0.817 nan 8.230 nan 0.000 0.413 601 D N 5.866 126.265 120.400 -0.002 0.000 2.479 601 D HA 0.354 4.993 4.640 -0.002 0.000 0.247 601 D C -2.488 173.804 176.300 -0.013 0.000 1.119 601 D CA -1.849 52.150 54.000 -0.002 0.000 0.922 601 D CB 1.015 41.821 40.800 0.010 0.000 1.014 601 D HN 0.316 nan 8.370 nan 0.000 0.510 602 P HA 0.081 nan 4.420 nan 0.000 0.261 602 P C -2.503 174.783 177.300 -0.023 0.000 1.183 602 P CA -0.821 62.263 63.100 -0.027 0.000 0.761 602 P CB 0.391 32.070 31.700 -0.035 0.000 0.785 603 P HA 0.117 nan 4.420 nan 0.000 0.271 603 P C 0.296 177.588 177.300 -0.014 0.000 1.244 603 P CA 0.138 63.221 63.100 -0.027 0.000 0.793 603 P CB 0.504 32.183 31.700 -0.036 0.000 0.984 604 R N 1.227 121.726 120.500 -0.002 0.000 2.457 604 R HA 0.232 4.571 4.340 -0.002 0.000 0.284 604 R C 1.436 177.747 176.300 0.019 0.000 1.024 604 R CA -0.603 55.506 56.100 0.015 0.000 1.025 604 R CB 0.704 31.028 30.300 0.039 0.000 1.063 604 R HN 0.449 nan 8.270 nan 0.000 0.493 605 K N 1.926 122.336 120.400 0.017 0.000 1.980 605 K HA -0.256 4.063 4.320 -0.002 0.000 0.223 605 K C 1.515 178.134 176.600 0.032 0.000 1.052 605 K CA 2.114 58.411 56.287 0.017 0.000 0.974 605 K CB -0.126 32.382 32.500 0.013 0.000 0.734 605 K HN 0.488 nan 8.250 nan 0.000 0.447 606 E N 1.031 121.257 120.200 0.042 0.000 2.284 606 E HA -0.167 4.182 4.350 -0.002 0.000 0.200 606 E C 1.916 178.576 176.600 0.101 0.000 1.008 606 E CA 0.882 57.317 56.400 0.058 0.000 0.829 606 E CB -0.644 29.088 29.700 0.054 0.000 0.744 606 E HN 0.099 nan 8.360 nan 0.000 0.491 607 V N 0.698 120.679 119.914 0.112 0.000 2.261 607 V HA -0.305 3.814 4.120 -0.002 0.000 0.246 607 V C 2.186 178.330 176.094 0.084 0.000 1.047 607 V CA 1.920 64.310 62.300 0.149 0.000 1.015 607 V CB -0.431 31.421 31.823 0.049 0.000 0.642 607 V HN 0.318 nan 8.190 nan 0.000 0.446 608 M N 0.218 119.836 119.600 0.030 0.000 2.089 608 M HA -0.198 4.280 4.480 -0.002 0.000 0.257 608 M C 2.265 178.585 176.300 0.034 0.000 1.071 608 M CA 2.413 57.720 55.300 0.012 0.000 1.096 608 M CB -1.809 30.794 32.600 0.004 0.000 1.330 608 M HN 0.497 nan 8.290 nan 0.000 0.403 609 G N -0.681 108.147 108.800 0.048 0.000 2.404 609 G HA2 -0.145 3.814 3.960 -0.002 0.000 0.215 609 G HA3 -0.145 3.814 3.960 -0.002 0.000 0.215 609 G C 1.673 176.617 174.900 0.073 0.000 1.174 609 G CA 1.038 46.167 45.100 0.048 0.000 0.780 609 G HN 0.490 nan 8.290 nan 0.000 0.537 610 S N 0.934 116.706 115.700 0.121 0.000 2.365 610 S HA -0.129 4.340 4.470 -0.002 0.000 0.225 610 S C 2.278 177.007 174.600 0.215 0.000 1.039 610 S CA 1.111 59.410 58.200 0.164 0.000 1.033 610 S CB -0.214 63.137 63.200 0.252 0.000 0.887 610 S HN 0.263 nan 8.310 nan 0.000 0.447 611 I N 1.639 122.346 120.570 0.228 0.000 2.264 611 I HA -0.176 3.993 4.170 -0.002 0.000 0.248 611 I C 2.599 178.757 176.117 0.069 0.000 1.111 611 I CA 1.405 62.783 61.300 0.131 0.000 1.382 611 I CB -1.395 36.602 38.000 -0.005 0.000 1.060 611 I HN 0.309 nan 8.210 nan 0.000 0.418 612 Q N 1.273 121.104 119.800 0.053 0.000 2.046 612 Q HA -0.091 4.248 4.340 -0.002 0.000 0.200 612 Q C 2.304 178.323 176.000 0.032 0.000 0.975 612 Q CA 1.410 57.232 55.803 0.030 0.000 0.836 612 Q CB -0.451 28.300 28.738 0.023 0.000 0.896 612 Q HN 0.462 nan 8.270 nan 0.000 0.428 613 L N -0.510 120.737 121.223 0.040 0.000 2.051 613 L HA -0.335 4.004 4.340 -0.002 0.000 0.214 613 L C 2.498 179.384 176.870 0.027 0.000 1.076 613 L CA 1.515 56.372 54.840 0.028 0.000 0.758 613 L CB -0.609 41.463 42.059 0.022 0.000 0.890 613 L HN 0.388 nan 8.230 nan 0.000 0.433 614 C N -0.754 118.573 119.300 0.045 0.000 2.429 614 C HA -0.143 4.316 4.460 -0.002 0.000 0.277 614 C C 2.852 177.858 174.990 0.026 0.000 1.262 614 C CA 0.504 59.547 59.018 0.042 0.000 1.733 614 C CB -1.086 26.702 27.740 0.080 0.000 2.010 614 C HN 0.442 nan 8.230 nan 0.000 0.483 615 R N 1.077 121.590 120.500 0.022 0.000 2.083 615 R HA -0.130 4.209 4.340 -0.002 0.000 0.237 615 R C 1.802 178.108 176.300 0.009 0.000 1.137 615 R CA 1.809 57.914 56.100 0.010 0.000 0.951 615 R CB -0.507 29.797 30.300 0.006 0.000 0.851 615 R HN 0.581 nan 8.270 nan 0.000 0.434 616 D N 0.846 121.253 120.400 0.011 0.000 2.104 616 D HA -0.153 4.486 4.640 -0.002 0.000 0.194 616 D C 1.696 178.002 176.300 0.009 0.000 0.994 616 D CA 1.614 55.620 54.000 0.009 0.000 0.830 616 D CB -0.327 40.479 40.800 0.009 0.000 0.959 616 D HN 0.261 nan 8.370 nan 0.000 0.452 617 A N 0.072 122.898 122.820 0.011 0.000 2.216 617 A HA 0.230 4.549 4.320 -0.002 0.000 0.214 617 A C 1.886 179.475 177.584 0.009 0.000 1.160 617 A CA 1.438 53.481 52.037 0.010 0.000 0.725 617 A CB -0.639 18.366 19.000 0.009 0.000 0.784 617 A HN 0.328 nan 8.150 nan 0.000 0.472 618 G N -1.082 107.724 108.800 0.009 0.000 2.166 618 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.260 618 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.260 618 G C 0.121 175.027 174.900 0.009 0.000 0.986 618 G CA 0.506 45.611 45.100 0.007 0.000 0.683 618 G HN 0.560 nan 8.290 nan 0.000 0.527 619 I N 0.640 121.218 120.570 0.014 0.000 2.312 619 I HA 0.311 4.480 4.170 -0.002 0.000 0.291 619 I C 1.009 177.140 176.117 0.024 0.000 1.031 619 I CA -0.806 60.506 61.300 0.020 0.000 1.293 619 I CB 1.038 39.052 38.000 0.023 0.000 1.403 619 I HN 0.147 nan 8.210 nan 0.000 0.484 620 R N 5.089 125.602 120.500 0.021 0.000 2.539 620 R HA 0.509 4.848 4.340 -0.002 0.000 0.275 620 R C -1.209 175.107 176.300 0.027 0.000 1.077 620 R CA -0.251 55.856 56.100 0.012 0.000 1.097 620 R CB 0.995 31.300 30.300 0.008 0.000 1.018 620 R HN 0.457 nan 8.270 nan 0.000 0.483 621 V N 6.199 126.111 119.914 -0.003 0.000 2.531 621 V HA 0.406 4.525 4.120 -0.002 0.000 0.301 621 V C -0.312 175.740 176.094 -0.069 0.000 1.034 621 V CA -0.644 61.659 62.300 0.005 0.000 0.865 621 V CB 1.746 33.575 31.823 0.009 0.000 0.995 621 V HN 0.660 nan 8.190 nan 0.000 0.424 622 I N 5.127 125.682 120.570 -0.025 0.000 2.406 622 I HA 0.483 4.652 4.170 -0.002 0.000 0.290 622 I C -0.131 175.964 176.117 -0.036 0.000 0.999 622 I CA -0.395 60.880 61.300 -0.042 0.000 1.124 622 I CB 1.853 39.889 38.000 0.059 0.000 1.289 622 I HN 0.550 nan 8.210 nan 0.000 0.441 623 M N 7.133 126.678 119.600 -0.092 0.000 2.277 623 M HA 0.560 5.039 4.480 -0.002 0.000 0.350 623 M C -1.388 174.928 176.300 0.027 0.000 1.180 623 M CA -0.198 55.061 55.300 -0.068 0.000 1.103 623 M CB 1.290 33.815 32.600 -0.124 0.000 1.577 623 M HN 0.511 nan 8.290 nan 0.000 0.459 624 I N 4.373 124.970 120.570 0.044 0.000 2.447 624 I HA 0.364 4.533 4.170 -0.002 0.000 0.287 624 I C -0.023 176.126 176.117 0.052 0.000 1.023 624 I CA -0.349 61.004 61.300 0.088 0.000 1.083 624 I CB 2.219 40.269 38.000 0.083 0.000 1.245 624 I HN 0.820 nan 8.210 nan 0.000 0.434 625 T N 0.910 115.501 114.554 0.062 0.000 2.573 625 T HA 0.612 4.961 4.350 -0.002 0.000 0.259 625 T C 0.584 175.318 174.700 0.056 0.000 0.886 625 T CA 0.008 62.136 62.100 0.046 0.000 1.110 625 T CB 1.678 70.568 68.868 0.037 0.000 1.421 625 T HN 0.538 nan 8.240 nan 0.000 0.523 626 G N -0.878 107.953 108.800 0.050 0.000 2.989 626 G HA2 0.236 4.194 3.960 -0.002 0.000 0.221 626 G HA3 0.236 4.194 3.960 -0.002 0.000 0.221 626 G C -0.001 174.934 174.900 0.059 0.000 1.050 626 G CA -0.236 44.898 45.100 0.056 0.000 0.913 626 G HN 0.681 nan 8.290 nan 0.000 0.587 627 D N 1.607 122.039 120.400 0.052 0.000 2.419 627 D HA 0.004 4.643 4.640 -0.002 0.000 0.236 627 D C 0.577 176.915 176.300 0.062 0.000 1.165 627 D CA 0.247 54.279 54.000 0.053 0.000 0.882 627 D CB 0.809 41.636 40.800 0.045 0.000 1.201 627 D HN 0.549 nan 8.370 nan 0.000 0.443 628 N N 0.490 119.229 118.700 0.064 0.000 2.416 628 N HA -0.056 4.683 4.740 -0.002 0.000 0.246 628 N C 0.946 176.489 175.510 0.055 0.000 1.260 628 N CA -0.618 52.471 53.050 0.065 0.000 0.897 628 N CB 1.384 39.909 38.487 0.063 0.000 1.110 628 N HN 0.336 nan 8.380 nan 0.000 0.439 629 K N 1.713 122.145 120.400 0.053 0.000 2.052 629 K HA -0.259 4.060 4.320 -0.002 0.000 0.215 629 K C 2.029 178.643 176.600 0.024 0.000 1.053 629 K CA 2.169 58.478 56.287 0.037 0.000 0.934 629 K CB -0.931 31.587 32.500 0.030 0.000 0.717 629 K HN 0.806 nan 8.250 nan 0.000 0.450 630 G N -0.286 108.527 108.800 0.022 0.000 2.599 630 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.219 630 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.219 630 G C 1.446 176.362 174.900 0.027 0.000 1.193 630 G CA 1.807 46.917 45.100 0.017 0.000 0.778 630 G HN 0.437 nan 8.290 nan 0.000 0.589 631 T N 1.259 115.837 114.554 0.041 0.000 2.985 631 T HA 0.249 4.598 4.350 -0.002 0.000 0.266 631 T C 2.741 177.466 174.700 0.042 0.000 1.076 631 T CA 1.133 63.260 62.100 0.046 0.000 1.135 631 T CB -0.205 68.696 68.868 0.055 0.000 0.890 631 T HN 0.429 nan 8.240 nan 0.000 0.480 632 A N 1.775 124.621 122.820 0.043 0.000 1.865 632 A HA -0.055 4.264 4.320 -0.002 0.000 0.217 632 A C 2.234 179.856 177.584 0.064 0.000 1.191 632 A CA 1.273 53.337 52.037 0.044 0.000 0.623 632 A CB -0.806 18.222 19.000 0.047 0.000 0.826 632 A HN 0.496 nan 8.150 nan 0.000 0.444 633 I N -0.291 120.320 120.570 0.069 0.000 2.163 633 I HA -0.318 3.851 4.170 -0.002 0.000 0.243 633 I C 3.033 179.213 176.117 0.106 0.000 1.085 633 I CA 1.144 62.509 61.300 0.108 0.000 1.347 633 I CB -0.523 37.466 38.000 -0.019 0.000 1.044 633 I HN 0.391 nan 8.210 nan 0.000 0.408 634 A N 1.284 124.136 122.820 0.053 0.000 1.892 634 A HA -0.225 4.094 4.320 -0.002 0.000 0.218 634 A C 2.293 179.906 177.584 0.047 0.000 1.188 634 A CA 1.780 53.844 52.037 0.044 0.000 0.631 634 A CB -0.969 18.053 19.000 0.037 0.000 0.822 634 A HN 0.415 nan 8.150 nan 0.000 0.447 635 I N -0.779 119.814 120.570 0.037 0.000 2.335 635 I HA -0.322 3.847 4.170 -0.002 0.000 0.251 635 I C 2.474 178.591 176.117 -0.000 0.000 1.129 635 I CA 1.025 62.332 61.300 0.012 0.000 1.402 635 I CB -0.470 37.530 38.000 0.000 0.000 1.069 635 I HN 0.404 nan 8.210 nan 0.000 0.424 636 C N 0.562 119.881 119.300 0.032 0.000 2.440 636 C HA -0.102 4.357 4.460 -0.002 0.000 0.278 636 C C 2.942 177.947 174.990 0.026 0.000 1.295 636 C CA 0.702 59.711 59.018 -0.016 0.000 1.738 636 C CB -1.084 26.664 27.740 0.013 0.000 1.987 636 C HN 0.417 nan 8.230 nan 0.000 0.492 637 R N 0.199 120.774 120.500 0.125 0.000 2.062 637 R HA -0.085 4.254 4.340 -0.002 0.000 0.231 637 R C 2.528 178.848 176.300 0.033 0.000 1.136 637 R CA 0.833 56.995 56.100 0.104 0.000 0.948 637 R CB -0.511 29.843 30.300 0.090 0.000 0.845 637 R HN 0.441 nan 8.270 nan 0.000 0.430 638 R N 1.733 122.243 120.500 0.018 0.000 2.154 638 R HA -0.168 4.171 4.340 -0.002 0.000 0.248 638 R C 2.085 178.374 176.300 -0.020 0.000 1.155 638 R CA 1.720 57.818 56.100 -0.002 0.000 0.979 638 R CB -0.197 30.099 30.300 -0.007 0.000 0.869 638 R HN 0.435 nan 8.270 nan 0.000 0.452 639 I N -5.341 115.205 120.570 -0.039 0.000 3.854 639 I HA 0.319 4.488 4.170 -0.002 0.000 0.312 639 I C 0.955 177.033 176.117 -0.065 0.000 1.273 639 I CA 0.797 62.058 61.300 -0.064 0.000 1.298 639 I CB 0.723 38.656 38.000 -0.112 0.000 1.071 639 I HN 0.146 nan 8.210 nan 0.000 0.428 640 G N 1.930 110.696 108.800 -0.056 0.000 2.143 640 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.175 640 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.175 640 G C 0.524 175.362 174.900 -0.103 0.000 1.004 640 G CA 0.194 45.264 45.100 -0.051 0.000 0.671 640 G HN 0.263 nan 8.290 nan 0.000 0.512 641 I N -0.584 119.868 120.570 -0.197 0.000 2.406 641 I HA 0.267 4.436 4.170 -0.002 0.000 0.249 641 I C 1.061 176.922 176.117 -0.427 0.000 1.122 641 I CA 1.031 62.100 61.300 -0.384 0.000 1.431 641 I CB -0.726 36.914 38.000 -0.599 0.000 1.087 641 I HN 0.127 nan 8.210 nan 0.000 0.424 642 F N 0.118 120.031 119.950 -0.061 0.000 2.594 642 F HA 0.659 5.185 4.527 -0.002 0.000 0.335 642 F C 0.915 176.688 175.800 -0.045 0.000 1.058 642 F CA -1.418 56.547 58.000 -0.058 0.000 0.981 642 F CB 0.916 39.876 39.000 -0.067 0.000 1.289 642 F HN -0.223 nan 8.300 nan 0.000 0.490 643 G N 0.040 108.955 108.800 0.192 0.000 2.367 643 G HA2 0.338 4.297 3.960 -0.002 0.000 0.314 643 G HA3 0.338 4.297 3.960 -0.002 0.000 0.314 643 G C 0.350 175.284 174.900 0.056 0.000 1.130 643 G CA -0.425 44.725 45.100 0.083 0.000 0.864 643 G HN 0.737 nan 8.290 nan 0.000 0.486 644 E N 1.131 121.350 120.200 0.032 0.000 2.169 644 E HA -0.178 4.171 4.350 -0.002 0.000 0.202 644 E C 0.572 177.167 176.600 -0.008 0.000 1.016 644 E CA 1.110 57.518 56.400 0.013 0.000 0.817 644 E CB 0.135 29.839 29.700 0.007 0.000 0.736 644 E HN 0.426 nan 8.360 nan 0.000 0.462 645 N N 0.865 119.558 118.700 -0.012 0.000 2.467 645 N HA 0.070 4.809 4.740 -0.002 0.000 0.278 645 N C -0.731 174.754 175.510 -0.041 0.000 1.306 645 N CA 0.055 53.087 53.050 -0.029 0.000 0.905 645 N CB 0.812 39.287 38.487 -0.021 0.000 1.236 645 N HN 0.191 nan 8.380 nan 0.000 0.509 646 E N 0.878 121.047 120.200 -0.051 0.000 2.242 646 E HA 0.130 4.478 4.350 -0.002 0.000 0.275 646 E C -0.519 175.990 176.600 -0.153 0.000 1.002 646 E CA -0.427 55.931 56.400 -0.069 0.000 0.841 646 E CB 1.291 30.982 29.700 -0.015 0.000 1.109 646 E HN -0.048 nan 8.360 nan 0.000 0.394 647 E N 1.942 122.057 120.200 -0.141 0.000 2.331 647 E HA 0.129 4.478 4.350 -0.002 0.000 0.272 647 E C -0.062 176.368 176.600 -0.284 0.000 1.036 647 E CA -0.046 56.246 56.400 -0.179 0.000 0.864 647 E CB 1.797 31.427 29.700 -0.116 0.000 1.035 647 E HN 0.360 nan 8.360 nan 0.000 0.408 648 V N 2.010 121.711 119.914 -0.355 0.000 3.408 648 V HA 0.032 4.151 4.120 -0.002 0.000 0.263 648 V C 1.746 177.621 176.094 -0.365 0.000 1.503 648 V CA 0.581 62.581 62.300 -0.501 0.000 1.046 648 V CB 0.048 31.341 31.823 -0.884 0.000 0.851 648 V HN 0.721 nan 8.190 nan 0.000 0.435 649 A N 2.276 124.936 122.820 -0.267 0.000 1.913 649 A HA -0.398 3.921 4.320 -0.002 0.000 0.236 649 A C 1.788 179.201 177.584 -0.285 0.000 1.760 649 A CA 2.907 54.813 52.037 -0.218 0.000 0.740 649 A CB -0.887 18.038 19.000 -0.124 0.000 0.847 649 A HN 0.766 nan 8.150 nan 0.000 0.508 650 D N -1.619 118.657 120.400 -0.206 0.000 2.328 650 D HA 0.026 4.665 4.640 -0.002 0.000 0.226 650 D C 1.360 177.521 176.300 -0.233 0.000 1.066 650 D CA 0.430 54.347 54.000 -0.139 0.000 0.861 650 D CB -0.244 40.567 40.800 0.018 0.000 0.912 650 D HN 0.631 nan 8.370 nan 0.000 0.521 651 R N -0.268 120.033 120.500 -0.332 0.000 2.476 651 R HA 0.452 4.791 4.340 -0.002 0.000 0.276 651 R C 0.046 176.207 176.300 -0.232 0.000 0.941 651 R CA 0.003 56.000 56.100 -0.171 0.000 1.088 651 R CB 1.421 31.753 30.300 0.054 0.000 1.216 651 R HN 0.092 nan 8.270 nan 0.000 0.533 652 A N 0.651 123.134 122.820 -0.563 0.000 2.402 652 A HA 0.633 4.952 4.320 -0.002 0.000 0.291 652 A C -1.609 175.570 177.584 -0.675 0.000 1.051 652 A CA -0.539 51.225 52.037 -0.455 0.000 0.716 652 A CB 0.764 19.651 19.000 -0.188 0.000 1.223 652 A HN 0.102 nan 8.150 nan 0.000 0.425 653 Y N -0.008 120.180 120.300 -0.186 0.000 2.562 653 Y HA 0.727 5.275 4.550 -0.002 0.000 0.343 653 Y C 0.846 176.802 175.900 0.093 0.000 1.025 653 Y CA -0.537 57.565 58.100 0.004 0.000 1.082 653 Y CB 2.353 40.902 38.460 0.150 0.000 1.264 653 Y HN 0.582 nan 8.280 nan 0.000 0.478 654 T N 0.223 114.961 114.554 0.307 0.000 2.929 654 T HA 0.368 4.717 4.350 -0.002 0.000 0.284 654 T C 1.305 176.150 174.700 0.242 0.000 1.014 654 T CA 0.129 62.364 62.100 0.226 0.000 1.051 654 T CB 0.972 69.937 68.868 0.161 0.000 1.028 654 T HN 0.908 nan 8.240 nan 0.000 0.485 655 G N 3.202 112.098 108.800 0.161 0.000 2.624 655 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.221 655 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.221 655 G C 1.580 176.595 174.900 0.191 0.000 1.169 655 G CA 1.488 46.631 45.100 0.071 0.000 0.771 655 G HN 0.644 nan 8.290 nan 0.000 0.598 656 R N 0.988 121.608 120.500 0.200 0.000 2.070 656 R HA -0.023 4.316 4.340 -0.002 0.000 0.233 656 R C 2.567 178.973 176.300 0.177 0.000 1.137 656 R CA 2.090 58.301 56.100 0.186 0.000 0.945 656 R CB -0.992 29.390 30.300 0.137 0.000 0.845 656 R HN 0.576 nan 8.270 nan 0.000 0.430 657 E N -0.734 119.578 120.200 0.188 0.000 2.114 657 E HA -0.251 4.098 4.350 -0.002 0.000 0.199 657 E C 1.823 178.513 176.600 0.150 0.000 1.008 657 E CA 1.594 58.103 56.400 0.181 0.000 0.810 657 E CB -0.421 29.438 29.700 0.265 0.000 0.739 657 E HN 0.298 nan 8.360 nan 0.000 0.456 658 F N 2.339 122.311 119.950 0.036 0.000 2.126 658 F HA -0.229 4.297 4.527 -0.002 0.000 0.299 658 F C 1.728 177.529 175.800 0.000 0.000 1.096 658 F CA 1.684 59.657 58.000 -0.045 0.000 1.255 658 F CB -0.063 38.884 39.000 -0.088 0.000 0.997 658 F HN -0.045 nan 8.300 nan 0.000 0.479 659 D N -0.308 120.150 120.400 0.098 0.000 2.144 659 D HA -0.169 4.470 4.640 -0.002 0.000 0.200 659 D C 1.517 177.795 176.300 -0.037 0.000 0.978 659 D CA 1.342 55.371 54.000 0.047 0.000 0.833 659 D CB -0.493 40.402 40.800 0.158 0.000 0.961 659 D HN 0.351 nan 8.370 nan 0.000 0.470 660 D N 0.588 120.984 120.400 -0.006 0.000 2.403 660 D HA -0.010 4.629 4.640 -0.002 0.000 0.227 660 D C 0.729 176.988 176.300 -0.068 0.000 0.995 660 D CA 0.371 54.361 54.000 -0.017 0.000 0.928 660 D CB 0.290 41.101 40.800 0.018 0.000 0.887 660 D HN 0.256 nan 8.370 nan 0.000 0.529 661 L N 1.436 122.569 121.223 -0.149 0.000 2.344 661 L HA 0.338 4.677 4.340 -0.002 0.000 0.272 661 L C -2.094 174.661 176.870 -0.192 0.000 1.035 661 L CA -1.899 52.825 54.840 -0.193 0.000 0.807 661 L CB 1.542 43.415 42.059 -0.310 0.000 1.237 661 L HN -0.242 nan 8.230 nan 0.000 0.442 662 P HA 0.157 nan 4.420 nan 0.000 0.284 662 P C 0.894 178.110 177.300 -0.140 0.000 1.253 662 P CA -0.506 62.526 63.100 -0.113 0.000 0.800 662 P CB 1.224 32.878 31.700 -0.077 0.000 0.961 663 L N 1.633 122.799 121.223 -0.095 0.000 2.198 663 L HA -0.342 3.997 4.340 -0.002 0.000 0.218 663 L C 2.322 179.136 176.870 -0.093 0.000 1.084 663 L CA 2.211 57.017 54.840 -0.055 0.000 0.779 663 L CB -1.228 40.839 42.059 0.014 0.000 0.890 663 L HN 0.448 nan 8.230 nan 0.000 0.439 664 A N 0.229 122.995 122.820 -0.090 0.000 1.823 664 A HA -0.208 4.111 4.320 -0.002 0.000 0.214 664 A C 2.183 179.688 177.584 -0.132 0.000 1.225 664 A CA 1.439 53.426 52.037 -0.084 0.000 0.604 664 A CB -0.613 18.358 19.000 -0.049 0.000 0.878 664 A HN 0.336 nan 8.150 nan 0.000 0.450 665 E N -0.008 120.114 120.200 -0.129 0.000 2.331 665 E HA -0.226 4.123 4.350 -0.002 0.000 0.199 665 E C 1.945 178.401 176.600 -0.240 0.000 1.008 665 E CA 1.586 57.903 56.400 -0.138 0.000 0.843 665 E CB -0.381 29.249 29.700 -0.116 0.000 0.761 665 E HN 0.706 nan 8.360 nan 0.000 0.507 666 Q N -0.356 119.232 119.800 -0.353 0.000 2.172 666 Q HA -0.115 4.224 4.340 -0.002 0.000 0.200 666 Q C 2.208 177.816 176.000 -0.653 0.000 0.964 666 Q CA 1.245 56.701 55.803 -0.578 0.000 0.855 666 Q CB -0.009 28.340 28.738 -0.647 0.000 0.918 666 Q HN 0.219 nan 8.270 nan 0.000 0.444 667 R N -0.286 119.814 120.500 -0.667 0.000 2.075 667 R HA -0.090 4.249 4.340 -0.002 0.000 0.226 667 R C 1.832 178.104 176.300 -0.046 0.000 1.114 667 R CA 1.027 56.734 56.100 -0.655 0.000 0.972 667 R CB 0.142 30.235 30.300 -0.345 0.000 0.869 667 R HN 0.177 nan 8.270 nan 0.000 0.437 668 E N 0.995 121.198 120.200 0.005 0.000 2.012 668 E HA -0.204 4.145 4.350 -0.002 0.000 0.197 668 E C 1.959 178.620 176.600 0.101 0.000 1.007 668 E CA 1.524 57.986 56.400 0.103 0.000 0.816 668 E CB -0.651 29.078 29.700 0.047 0.000 0.762 668 E HN 0.435 nan 8.360 nan 0.000 0.451 669 A N 0.974 123.829 122.820 0.058 0.000 1.985 669 A HA -0.316 4.003 4.320 -0.002 0.000 0.223 669 A C 2.690 180.444 177.584 0.283 0.000 1.189 669 A CA 2.105 54.238 52.037 0.160 0.000 0.658 669 A CB -1.209 17.700 19.000 -0.153 0.000 0.820 669 A HN 0.407 nan 8.150 nan 0.000 0.464 670 C N -0.632 118.836 119.300 0.280 0.000 2.453 670 C HA -0.075 4.384 4.460 -0.002 0.000 0.277 670 C C 2.896 178.021 174.990 0.224 0.000 1.262 670 C CA 1.054 60.276 59.018 0.341 0.000 1.718 670 C CB -1.255 26.726 27.740 0.403 0.000 2.031 670 C HN 0.829 nan 8.230 nan 0.000 0.480 671 R N 2.232 122.810 120.500 0.129 0.000 2.120 671 R HA -0.164 4.175 4.340 -0.002 0.000 0.234 671 R C 2.049 178.320 176.300 -0.047 0.000 1.123 671 R CA 1.920 57.961 56.100 -0.099 0.000 0.975 671 R CB -0.576 29.346 30.300 -0.630 0.000 0.866 671 R HN 0.688 nan 8.270 nan 0.000 0.446 672 R N 1.118 121.628 120.500 0.016 0.000 2.128 672 R HA 0.299 4.638 4.340 -0.002 0.000 0.211 672 R C 0.816 177.144 176.300 0.048 0.000 1.067 672 R CA 0.422 56.539 56.100 0.029 0.000 1.010 672 R CB -0.223 30.106 30.300 0.049 0.000 0.922 672 R HN 0.123 nan 8.270 nan 0.000 0.457 673 A N 0.694 123.566 122.820 0.086 0.000 2.587 673 A HA 0.073 4.392 4.320 -0.002 0.000 0.233 673 A C 0.451 177.974 177.584 -0.101 0.000 1.049 673 A CA 0.195 52.216 52.037 -0.027 0.000 0.754 673 A CB 0.140 19.082 19.000 -0.096 0.000 0.977 673 A HN 0.620 nan 8.150 nan 0.000 0.509 674 C N 0.547 119.745 119.300 -0.169 0.000 3.785 674 C HA 0.426 4.885 4.460 -0.002 0.000 0.312 674 C C 0.178 174.986 174.990 -0.304 0.000 1.566 674 C CA 0.037 58.908 59.018 -0.246 0.000 1.837 674 C CB -1.130 26.372 27.740 -0.396 0.000 2.826 674 C HN 0.949 nan 8.230 nan 0.000 0.667 675 C N 1.187 120.294 119.300 -0.322 0.000 2.832 675 C HA 0.677 5.136 4.460 -0.002 0.000 0.383 675 C C -1.848 172.902 174.990 -0.400 0.000 1.046 675 C CA -0.450 58.426 59.018 -0.237 0.000 1.242 675 C CB -0.348 27.383 27.740 -0.016 0.000 1.693 675 C HN 0.369 nan 8.230 nan 0.000 0.497 676 F N 4.914 124.859 119.950 -0.009 0.000 2.427 676 F HA 0.615 5.141 4.527 -0.002 0.000 0.348 676 F C 0.925 176.719 175.800 -0.010 0.000 1.125 676 F CA 0.179 58.164 58.000 -0.024 0.000 0.989 676 F CB 1.684 40.626 39.000 -0.098 0.000 1.165 676 F HN 0.852 nan 8.300 nan 0.000 0.442 677 A N 4.734 127.662 122.820 0.180 0.000 1.889 677 A HA 0.070 4.389 4.320 -0.002 0.000 0.209 677 A C 1.006 178.661 177.584 0.119 0.000 1.315 677 A CA 0.775 52.886 52.037 0.122 0.000 0.611 677 A CB -0.127 18.936 19.000 0.104 0.000 0.950 677 A HN 0.670 nan 8.150 nan 0.000 0.477 678 R N -0.178 120.395 120.500 0.122 0.000 2.790 678 R HA 0.423 4.762 4.340 -0.002 0.000 0.274 678 R C -1.358 175.018 176.300 0.127 0.000 1.334 678 R CA -0.366 55.801 56.100 0.113 0.000 1.543 678 R CB 1.023 31.389 30.300 0.109 0.000 1.154 678 R HN 0.259 nan 8.270 nan 0.000 0.601 679 V N 2.485 122.467 119.914 0.112 0.000 2.572 679 V HA -0.003 4.116 4.120 -0.002 0.000 0.291 679 V C 0.794 177.021 176.094 0.221 0.000 1.039 679 V CA 0.415 62.797 62.300 0.135 0.000 1.055 679 V CB 0.977 32.816 31.823 0.028 0.000 0.969 679 V HN 0.590 nan 8.190 nan 0.000 0.482 680 E N 5.475 125.954 120.200 0.464 0.000 2.267 680 E HA 0.308 4.657 4.350 -0.002 0.000 0.258 680 E C -1.642 174.921 176.600 -0.062 0.000 1.074 680 E CA -1.552 54.928 56.400 0.134 0.000 0.915 680 E CB 0.661 30.396 29.700 0.059 0.000 1.186 680 E HN 0.410 nan 8.360 nan 0.000 0.439 681 P HA -0.392 nan 4.420 nan 0.000 0.227 681 P C 1.291 178.501 177.300 -0.150 0.000 0.791 681 P CA 2.615 65.632 63.100 -0.138 0.000 1.075 681 P CB -0.215 31.396 31.700 -0.149 0.000 0.728 682 S N -2.392 113.182 115.700 -0.210 0.000 2.365 682 S HA -0.346 4.123 4.470 -0.002 0.000 0.221 682 S C 1.689 176.241 174.600 -0.081 0.000 1.037 682 S CA 1.910 60.021 58.200 -0.149 0.000 1.060 682 S CB -1.931 61.179 63.200 -0.150 0.000 0.974 682 S HN 0.195 nan 8.310 nan 0.000 0.427 683 H N 2.194 121.238 119.070 -0.042 0.000 1.682 683 H HA -0.243 4.312 4.556 -0.002 0.000 0.142 683 H C 2.016 177.219 175.328 -0.208 0.000 1.197 683 H CA 2.311 58.278 56.048 -0.137 0.000 1.770 683 H CB -1.177 28.458 29.762 -0.212 0.000 2.113 683 H HN 0.530 nan 8.280 nan 0.000 0.894 684 K N -0.310 120.069 120.400 -0.036 0.000 2.034 684 K HA -0.182 4.137 4.320 -0.002 0.000 0.214 684 K C 2.617 179.183 176.600 -0.058 0.000 1.051 684 K CA 1.734 57.976 56.287 -0.075 0.000 0.931 684 K CB -0.295 32.180 32.500 -0.042 0.000 0.715 684 K HN 0.157 nan 8.250 nan 0.000 0.446 685 S N 0.681 116.355 115.700 -0.043 0.000 2.343 685 S HA -0.153 4.316 4.470 -0.002 0.000 0.219 685 S C 1.753 176.318 174.600 -0.060 0.000 1.033 685 S CA 1.481 59.653 58.200 -0.047 0.000 1.014 685 S CB -0.050 63.120 63.200 -0.049 0.000 0.915 685 S HN 0.215 nan 8.310 nan 0.000 0.435 686 K N 0.467 120.845 120.400 -0.036 0.000 2.089 686 K HA -0.137 4.182 4.320 -0.002 0.000 0.210 686 K C 2.027 178.592 176.600 -0.058 0.000 1.048 686 K CA 1.817 58.075 56.287 -0.048 0.000 0.926 686 K CB -0.444 32.161 32.500 0.175 0.000 0.714 686 K HN 0.440 nan 8.250 nan 0.000 0.448 687 I N 0.544 121.119 120.570 0.007 0.000 2.179 687 I HA -0.279 3.890 4.170 -0.002 0.000 0.242 687 I C 2.255 178.418 176.117 0.077 0.000 1.088 687 I CA 1.064 62.396 61.300 0.052 0.000 1.357 687 I CB -0.278 37.607 38.000 -0.192 0.000 1.051 687 I HN -0.045 nan 8.210 nan 0.000 0.409 688 V N 0.733 120.651 119.914 0.006 0.000 2.469 688 V HA -0.275 3.844 4.120 -0.002 0.000 0.251 688 V C 2.389 178.482 176.094 -0.002 0.000 1.064 688 V CA 1.785 64.096 62.300 0.018 0.000 1.066 688 V CB -0.621 31.199 31.823 -0.005 0.000 0.667 688 V HN 0.441 nan 8.190 nan 0.000 0.461 689 E N -0.797 119.348 120.200 -0.092 0.000 2.051 689 E HA -0.229 4.120 4.350 -0.002 0.000 0.192 689 E C 2.213 178.747 176.600 -0.110 0.000 0.991 689 E CA 1.778 58.078 56.400 -0.167 0.000 0.799 689 E CB -0.249 29.250 29.700 -0.335 0.000 0.748 689 E HN 0.693 nan 8.360 nan 0.000 0.449 690 Y N 0.928 121.269 120.300 0.068 0.000 2.145 690 Y HA -0.160 4.389 4.550 -0.002 0.000 0.286 690 Y C 2.349 178.323 175.900 0.125 0.000 1.145 690 Y CA 0.796 58.942 58.100 0.076 0.000 1.148 690 Y CB -0.700 37.863 38.460 0.171 0.000 0.981 690 Y HN 0.001 nan 8.280 nan 0.000 0.507 691 L N -0.267 121.149 121.223 0.322 0.000 2.189 691 L HA -0.298 4.041 4.340 -0.002 0.000 0.214 691 L C 2.160 179.152 176.870 0.203 0.000 1.097 691 L CA 1.514 56.521 54.840 0.278 0.000 0.764 691 L CB -0.550 41.624 42.059 0.192 0.000 0.900 691 L HN 0.367 nan 8.230 nan 0.000 0.436 692 Q N -0.905 118.968 119.800 0.122 0.000 2.302 692 Q HA -0.086 4.253 4.340 -0.002 0.000 0.202 692 Q C 2.445 178.471 176.000 0.045 0.000 0.936 692 Q CA 1.264 57.109 55.803 0.069 0.000 0.886 692 Q CB 0.090 28.843 28.738 0.026 0.000 0.986 692 Q HN 0.609 nan 8.270 nan 0.000 0.487 693 S N -0.172 115.533 115.700 0.008 0.000 2.402 693 S HA -0.145 4.324 4.470 -0.002 0.000 0.229 693 S C 1.263 175.791 174.600 -0.121 0.000 1.021 693 S CA 0.753 58.898 58.200 -0.093 0.000 0.974 693 S CB -0.367 62.729 63.200 -0.173 0.000 0.800 693 S HN 0.345 nan 8.310 nan 0.000 0.484 694 Y N 2.635 122.986 120.300 0.085 0.000 2.470 694 Y HA 0.225 4.774 4.550 -0.002 0.000 0.302 694 Y C 0.169 176.099 175.900 0.050 0.000 1.194 694 Y CA -0.868 57.272 58.100 0.067 0.000 1.271 694 Y CB -0.904 37.602 38.460 0.076 0.000 1.092 694 Y HN 0.221 nan 8.280 nan 0.000 0.513 695 D N 0.939 121.424 120.400 0.141 0.000 2.686 695 D HA -0.241 4.397 4.640 -0.002 0.000 0.235 695 D C -0.323 176.033 176.300 0.092 0.000 1.160 695 D CA 0.768 54.823 54.000 0.092 0.000 0.645 695 D CB -0.861 39.982 40.800 0.072 0.000 1.039 695 D HN 0.522 nan 8.370 nan 0.000 0.423 696 E N -0.001 120.264 120.200 0.108 0.000 2.166 696 E HA 0.316 4.665 4.350 -0.002 0.000 0.275 696 E C 0.607 177.242 176.600 0.058 0.000 0.941 696 E CA -0.956 55.495 56.400 0.085 0.000 0.784 696 E CB 1.379 31.143 29.700 0.107 0.000 1.115 696 E HN 0.044 nan 8.360 nan 0.000 0.399 697 I N 3.255 123.847 120.570 0.036 0.000 2.494 697 I HA 0.012 4.181 4.170 -0.002 0.000 0.289 697 I C 0.749 176.883 176.117 0.028 0.000 1.106 697 I CA 0.511 61.823 61.300 0.020 0.000 1.369 697 I CB -0.125 37.874 38.000 -0.002 0.000 1.410 697 I HN 0.415 nan 8.210 nan 0.000 0.523 698 T N 4.893 119.466 114.554 0.032 0.000 2.856 698 T HA 0.801 5.149 4.350 -0.002 0.000 0.283 698 T C -0.398 174.320 174.700 0.031 0.000 1.008 698 T CA -0.649 61.475 62.100 0.040 0.000 0.997 698 T CB 1.720 70.623 68.868 0.058 0.000 0.992 698 T HN 0.661 nan 8.240 nan 0.000 0.454 699 A N 4.187 127.029 122.820 0.036 0.000 2.305 699 A HA 0.834 5.153 4.320 -0.002 0.000 0.322 699 A C -0.396 177.215 177.584 0.045 0.000 1.187 699 A CA -0.844 51.213 52.037 0.033 0.000 0.825 699 A CB 0.925 19.942 19.000 0.030 0.000 1.164 699 A HN 0.911 nan 8.150 nan 0.000 0.498 700 M N 2.019 121.641 119.600 0.036 0.000 2.446 700 M HA 0.582 5.061 4.480 -0.002 0.000 0.294 700 M C -0.204 176.118 176.300 0.037 0.000 1.158 700 M CA -0.086 55.237 55.300 0.038 0.000 0.899 700 M CB 2.288 34.902 32.600 0.023 0.000 1.687 700 M HN 0.843 nan 8.290 nan 0.000 0.455 701 T N 0.710 115.290 114.554 0.044 0.000 2.932 701 T HA 1.051 5.400 4.350 -0.002 0.000 0.289 701 T C -0.104 174.615 174.700 0.030 0.000 1.039 701 T CA -0.289 61.837 62.100 0.042 0.000 1.024 701 T CB 1.777 70.683 68.868 0.064 0.000 1.090 701 T HN 1.239 nan 8.240 nan 0.000 0.496 702 G N 0.031 108.847 108.800 0.026 0.000 2.325 702 G HA2 0.450 4.409 3.960 -0.002 0.000 0.297 702 G HA3 0.450 4.409 3.960 -0.002 0.000 0.297 702 G C -0.977 173.933 174.900 0.017 0.000 1.448 702 G CA -0.069 45.042 45.100 0.018 0.000 0.838 702 G HN 0.902 nan 8.290 nan 0.000 0.579 703 D N -1.010 119.398 120.400 0.013 0.000 2.480 703 D HA 0.242 4.881 4.640 -0.002 0.000 0.276 703 D C 0.693 177.000 176.300 0.011 0.000 1.294 703 D CA 0.753 54.763 54.000 0.016 0.000 0.829 703 D CB 0.604 41.416 40.800 0.020 0.000 1.242 703 D HN 0.930 nan 8.370 nan 0.000 0.513 704 G N 0.328 109.126 108.800 -0.003 0.000 2.489 704 G HA2 0.390 4.349 3.960 -0.002 0.000 0.327 704 G HA3 0.390 4.349 3.960 -0.002 0.000 0.327 704 G C 0.704 175.590 174.900 -0.024 0.000 1.189 704 G CA -0.347 44.742 45.100 -0.018 0.000 0.962 704 G HN -0.013 nan 8.290 nan 0.000 0.486 705 V N 0.863 120.752 119.914 -0.041 0.000 2.660 705 V HA -0.186 3.933 4.120 -0.002 0.000 0.257 705 V C 2.248 178.310 176.094 -0.053 0.000 1.088 705 V CA 2.168 64.448 62.300 -0.035 0.000 1.106 705 V CB -0.541 31.238 31.823 -0.073 0.000 0.686 705 V HN 0.663 nan 8.190 nan 0.000 0.481 706 N N 0.616 119.272 118.700 -0.074 0.000 2.205 706 N HA -0.129 4.610 4.740 -0.002 0.000 0.186 706 N C 1.280 176.757 175.510 -0.055 0.000 1.015 706 N CA 1.827 54.828 53.050 -0.081 0.000 0.862 706 N CB -0.256 38.178 38.487 -0.087 0.000 0.986 706 N HN 0.597 nan 8.380 nan 0.000 0.429 707 D N -0.127 120.251 120.400 -0.036 0.000 2.349 707 D HA 0.178 4.817 4.640 -0.002 0.000 0.214 707 D C 1.602 177.893 176.300 -0.015 0.000 1.063 707 D CA -0.010 53.976 54.000 -0.024 0.000 0.847 707 D CB 0.160 40.953 40.800 -0.012 0.000 0.933 707 D HN 0.105 nan 8.370 nan 0.000 0.513 708 A N 2.587 125.400 122.820 -0.012 0.000 1.892 708 A HA -0.143 4.176 4.320 -0.002 0.000 0.218 708 A C -0.116 177.464 177.584 -0.007 0.000 1.188 708 A CA 1.361 53.397 52.037 -0.001 0.000 0.631 708 A CB -1.525 17.481 19.000 0.010 0.000 0.822 708 A HN 0.190 nan 8.150 nan 0.000 0.447 709 P HA -0.146 nan 4.420 nan 0.000 0.219 709 P C 1.439 178.727 177.300 -0.021 0.000 1.146 709 P CA 1.939 65.027 63.100 -0.019 0.000 0.808 709 P CB -0.096 31.588 31.700 -0.028 0.000 0.779 710 A N 0.322 123.130 122.820 -0.021 0.000 1.874 710 A HA -0.027 4.292 4.320 -0.002 0.000 0.214 710 A C 2.423 180.001 177.584 -0.010 0.000 1.189 710 A CA 0.790 52.815 52.037 -0.019 0.000 0.615 710 A CB -1.437 17.550 19.000 -0.021 0.000 0.830 710 A HN 0.066 nan 8.150 nan 0.000 0.443 711 L N -0.554 120.666 121.223 -0.005 0.000 2.129 711 L HA -0.231 4.108 4.340 -0.002 0.000 0.212 711 L C 2.588 179.458 176.870 -0.000 0.000 1.087 711 L CA 2.016 56.857 54.840 0.001 0.000 0.757 711 L CB -0.431 41.631 42.059 0.005 0.000 0.896 711 L HN 0.481 nan 8.230 nan 0.000 0.434 712 K N 0.455 120.853 120.400 -0.003 0.000 2.137 712 K HA -0.160 4.159 4.320 -0.002 0.000 0.202 712 K C 2.236 178.832 176.600 -0.007 0.000 1.052 712 K CA 0.823 57.108 56.287 -0.004 0.000 0.961 712 K CB 0.170 32.667 32.500 -0.005 0.000 0.741 712 K HN 0.064 nan 8.250 nan 0.000 0.452 713 K N 0.660 121.053 120.400 -0.011 0.000 2.025 713 K HA -0.002 4.317 4.320 -0.002 0.000 0.207 713 K C 0.392 176.987 176.600 -0.008 0.000 1.049 713 K CA 0.812 57.091 56.287 -0.014 0.000 0.933 713 K CB -0.199 32.288 32.500 -0.023 0.000 0.714 713 K HN 0.189 nan 8.250 nan 0.000 0.438 714 A N 1.383 124.201 122.820 -0.004 0.000 2.536 714 A HA -0.067 4.252 4.320 -0.002 0.000 0.234 714 A C 0.664 178.251 177.584 0.003 0.000 1.076 714 A CA 0.149 52.189 52.037 0.004 0.000 0.769 714 A CB 0.166 19.172 19.000 0.010 0.000 1.020 714 A HN 0.432 nan 8.150 nan 0.000 0.508 715 E N -0.328 119.875 120.200 0.006 0.000 2.106 715 E HA -0.027 4.322 4.350 -0.002 0.000 0.192 715 E C -0.346 176.254 176.600 0.000 0.000 0.984 715 E CA 1.297 57.698 56.400 0.002 0.000 0.806 715 E CB -0.134 29.567 29.700 0.001 0.000 0.750 715 E HN 0.554 nan 8.360 nan 0.000 0.458 716 I N -0.103 120.469 120.570 0.003 0.000 2.521 716 I HA 0.312 4.481 4.170 -0.002 0.000 0.277 716 I C 0.132 176.253 176.117 0.006 0.000 1.054 716 I CA -0.573 60.728 61.300 0.002 0.000 1.117 716 I CB 1.773 39.772 38.000 -0.002 0.000 1.217 716 I HN -0.148 nan 8.210 nan 0.000 0.469 717 G N 6.542 115.345 108.800 0.006 0.000 2.370 717 G HA2 0.643 4.602 3.960 -0.002 0.000 0.272 717 G HA3 0.643 4.602 3.960 -0.002 0.000 0.272 717 G C -0.287 174.618 174.900 0.009 0.000 1.208 717 G CA -0.270 44.835 45.100 0.008 0.000 0.856 717 G HN 0.516 nan 8.290 nan 0.000 0.500 718 I N 2.187 122.766 120.570 0.014 0.000 2.382 718 I HA 0.442 4.611 4.170 -0.002 0.000 0.286 718 I C 0.572 176.700 176.117 0.019 0.000 1.002 718 I CA -0.646 60.662 61.300 0.014 0.000 1.135 718 I CB 1.725 39.734 38.000 0.016 0.000 1.288 718 I HN 0.537 nan 8.210 nan 0.000 0.448 719 A N 7.590 130.420 122.820 0.016 0.000 2.282 719 A HA 0.839 5.158 4.320 -0.002 0.000 0.319 719 A C -0.127 177.469 177.584 0.021 0.000 1.121 719 A CA -0.685 51.364 52.037 0.019 0.000 0.836 719 A CB 0.984 19.995 19.000 0.018 0.000 1.146 719 A HN 0.593 nan 8.150 nan 0.000 0.494 720 M N 1.212 120.826 119.600 0.024 0.000 2.288 720 M HA 0.249 4.728 4.480 -0.002 0.000 0.334 720 M C 1.585 177.898 176.300 0.022 0.000 1.150 720 M CA -0.099 55.217 55.300 0.026 0.000 1.118 720 M CB 0.590 33.207 32.600 0.029 0.000 1.501 720 M HN 0.896 nan 8.290 nan 0.000 0.462 721 G N 0.951 109.763 108.800 0.021 0.000 2.421 721 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.216 721 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.216 721 G C 1.267 176.180 174.900 0.021 0.000 1.171 721 G CA 1.204 46.315 45.100 0.019 0.000 0.775 721 G HN 0.756 nan 8.290 nan 0.000 0.543 722 S N 0.578 116.292 115.700 0.024 0.000 2.607 722 S HA 0.335 4.804 4.470 -0.002 0.000 0.224 722 S C 1.403 176.020 174.600 0.028 0.000 0.969 722 S CA 0.286 58.502 58.200 0.026 0.000 0.927 722 S CB -0.171 63.045 63.200 0.027 0.000 0.772 722 S HN 0.513 nan 8.310 nan 0.000 0.533 723 G N 1.907 110.724 108.800 0.028 0.000 2.683 723 G HA2 0.397 4.356 3.960 -0.002 0.000 0.260 723 G HA3 0.397 4.356 3.960 -0.002 0.000 0.260 723 G C 0.263 175.185 174.900 0.036 0.000 1.238 723 G CA 0.020 45.137 45.100 0.029 0.000 0.934 723 G HN 0.505 nan 8.290 nan 0.000 0.534 724 T N -2.999 111.580 114.554 0.043 0.000 2.788 724 T HA 0.465 4.814 4.350 -0.002 0.000 0.287 724 T C 1.659 176.401 174.700 0.069 0.000 1.007 724 T CA 0.387 62.526 62.100 0.065 0.000 1.005 724 T CB 1.310 70.226 68.868 0.080 0.000 1.012 724 T HN 0.878 nan 8.240 nan 0.000 0.530 725 A N 0.550 123.424 122.820 0.089 0.000 1.929 725 A HA 0.097 4.416 4.320 -0.002 0.000 0.216 725 A C 2.412 180.033 177.584 0.061 0.000 1.176 725 A CA 1.215 53.287 52.037 0.058 0.000 0.628 725 A CB -1.121 17.898 19.000 0.032 0.000 0.816 725 A HN 0.695 nan 8.150 nan 0.000 0.444 726 V N -0.084 119.901 119.914 0.119 0.000 2.343 726 V HA -0.245 3.874 4.120 -0.002 0.000 0.247 726 V C 3.057 179.191 176.094 0.066 0.000 1.051 726 V CA 1.869 64.235 62.300 0.111 0.000 1.036 726 V CB -1.146 30.807 31.823 0.217 0.000 0.654 726 V HN 0.620 nan 8.190 nan 0.000 0.451 727 A N 0.024 122.880 122.820 0.060 0.000 1.859 727 A HA -0.299 4.020 4.320 -0.002 0.000 0.217 727 A C 2.237 179.837 177.584 0.028 0.000 1.198 727 A CA 2.348 54.407 52.037 0.036 0.000 0.629 727 A CB -0.599 18.420 19.000 0.031 0.000 0.830 727 A HN 0.548 nan 8.150 nan 0.000 0.446 728 K N -0.718 119.699 120.400 0.028 0.000 2.034 728 K HA -0.203 4.116 4.320 -0.002 0.000 0.214 728 K C 2.177 178.785 176.600 0.014 0.000 1.051 728 K CA 2.177 58.475 56.287 0.020 0.000 0.931 728 K CB -0.764 31.748 32.500 0.019 0.000 0.715 728 K HN 0.772 nan 8.250 nan 0.000 0.446 729 T N -0.998 113.564 114.554 0.013 0.000 2.962 729 T HA -0.008 4.341 4.350 -0.002 0.000 0.270 729 T C 1.940 176.644 174.700 0.007 0.000 1.088 729 T CA 0.982 63.085 62.100 0.005 0.000 1.127 729 T CB -0.127 68.740 68.868 -0.000 0.000 0.883 729 T HN 0.217 nan 8.240 nan 0.000 0.493 730 A N 1.486 124.314 122.820 0.013 0.000 2.208 730 A HA 0.396 4.715 4.320 -0.002 0.000 0.209 730 A C 1.537 179.125 177.584 0.007 0.000 1.161 730 A CA 0.294 52.337 52.037 0.010 0.000 0.782 730 A CB -0.347 18.661 19.000 0.014 0.000 0.816 730 A HN 0.678 nan 8.150 nan 0.000 0.477 731 S N -1.362 114.343 115.700 0.008 0.000 2.638 731 S HA 0.539 5.008 4.470 -0.002 0.000 0.298 731 S C 0.263 174.867 174.600 0.005 0.000 1.111 731 S CA -0.406 57.798 58.200 0.007 0.000 1.027 731 S CB 1.544 64.750 63.200 0.010 0.000 1.064 731 S HN 0.137 nan 8.310 nan 0.000 0.525 732 E N 0.461 120.663 120.200 0.004 0.000 2.122 732 E HA 0.220 4.569 4.350 -0.002 0.000 0.190 732 E C 0.496 177.099 176.600 0.004 0.000 0.977 732 E CA 0.803 57.205 56.400 0.004 0.000 0.820 732 E CB 0.096 29.797 29.700 0.002 0.000 0.770 732 E HN 0.727 nan 8.360 nan 0.000 0.462 733 M N 0.051 119.653 119.600 0.003 0.000 2.572 733 M HA 0.460 4.939 4.480 -0.002 0.000 0.299 733 M C -1.685 174.617 176.300 0.003 0.000 1.205 733 M CA -0.880 54.421 55.300 0.002 0.000 0.876 733 M CB 2.081 34.679 32.600 -0.004 0.000 1.728 733 M HN -0.264 nan 8.290 nan 0.000 0.458 734 V N 4.895 124.811 119.914 0.003 0.000 2.447 734 V HA 0.343 4.462 4.120 -0.002 0.000 0.292 734 V C -0.437 175.660 176.094 0.004 0.000 1.021 734 V CA -0.698 61.606 62.300 0.006 0.000 0.850 734 V CB 1.607 33.435 31.823 0.009 0.000 1.005 734 V HN 0.796 nan 8.190 nan 0.000 0.426 735 L N 4.227 125.453 121.223 0.005 0.000 2.515 735 L HA 0.274 4.613 4.340 -0.002 0.000 0.281 735 L C 1.787 178.662 176.870 0.009 0.000 1.131 735 L CA -0.057 54.785 54.840 0.003 0.000 0.905 735 L CB 0.367 42.430 42.059 0.006 0.000 1.246 735 L HN 0.805 nan 8.230 nan 0.000 0.463 736 A N 3.049 125.873 122.820 0.006 0.000 2.024 736 A HA -0.191 4.128 4.320 -0.002 0.000 0.220 736 A C 1.548 179.139 177.584 0.012 0.000 1.164 736 A CA 1.833 53.875 52.037 0.009 0.000 0.643 736 A CB -0.309 18.695 19.000 0.007 0.000 0.806 736 A HN 0.885 nan 8.150 nan 0.000 0.451 737 D N -2.308 118.099 120.400 0.012 0.000 2.462 737 D HA 0.080 4.719 4.640 -0.002 0.000 0.221 737 D C -0.441 175.873 176.300 0.024 0.000 1.173 737 D CA 0.408 54.417 54.000 0.016 0.000 0.831 737 D CB -0.383 40.425 40.800 0.013 0.000 1.001 737 D HN 0.225 nan 8.370 nan 0.000 0.499 738 D N 0.202 120.617 120.400 0.026 0.000 3.061 738 D HA -0.221 4.417 4.640 -0.002 0.000 0.220 738 D C -0.012 176.320 176.300 0.053 0.000 1.184 738 D CA 0.774 54.796 54.000 0.037 0.000 0.922 738 D CB -1.351 39.472 40.800 0.038 0.000 1.119 738 D HN 0.382 nan 8.370 nan 0.000 0.400 739 N N -0.161 118.566 118.700 0.045 0.000 2.470 739 N HA 0.042 4.781 4.740 -0.002 0.000 0.268 739 N C 0.849 176.408 175.510 0.082 0.000 1.136 739 N CA -0.145 52.945 53.050 0.068 0.000 0.961 739 N CB 0.261 38.773 38.487 0.042 0.000 1.067 739 N HN 0.017 nan 8.380 nan 0.000 0.468 740 F N 3.495 123.444 119.950 -0.001 0.000 2.202 740 F HA -0.182 4.344 4.527 -0.002 0.000 0.301 740 F C 1.894 177.692 175.800 -0.003 0.000 1.082 740 F CA 1.380 59.378 58.000 -0.002 0.000 1.313 740 F CB -0.013 38.983 39.000 -0.006 0.000 1.024 740 F HN 0.467 nan 8.300 nan 0.000 0.495 741 S N -0.441 115.207 115.700 -0.087 0.000 2.402 741 S HA -0.184 4.285 4.470 -0.002 0.000 0.229 741 S C 1.877 176.351 174.600 -0.210 0.000 1.021 741 S CA 1.604 59.698 58.200 -0.177 0.000 0.974 741 S CB -0.836 62.367 63.200 0.004 0.000 0.800 741 S HN 0.485 nan 8.310 nan 0.000 0.484 742 T N 2.783 117.255 114.554 -0.136 0.000 2.849 742 T HA 0.018 4.367 4.350 -0.002 0.000 0.270 742 T C 1.620 176.228 174.700 -0.153 0.000 1.066 742 T CA 0.879 62.916 62.100 -0.105 0.000 1.130 742 T CB -0.420 68.414 68.868 -0.056 0.000 0.864 742 T HN 0.354 nan 8.240 nan 0.000 0.481 743 I N 0.510 120.926 120.570 -0.258 0.000 2.133 743 I HA -0.156 4.013 4.170 -0.002 0.000 0.238 743 I C 2.482 178.441 176.117 -0.262 0.000 1.074 743 I CA 1.042 62.181 61.300 -0.268 0.000 1.342 743 I CB -0.607 37.160 38.000 -0.388 0.000 1.053 743 I HN 0.083 nan 8.210 nan 0.000 0.404 744 V N 1.359 121.040 119.914 -0.387 0.000 2.255 744 V HA -0.353 3.766 4.120 -0.002 0.000 0.247 744 V C 2.808 178.818 176.094 -0.139 0.000 1.051 744 V CA 2.112 64.262 62.300 -0.249 0.000 1.018 744 V CB -1.245 30.426 31.823 -0.253 0.000 0.641 744 V HN 0.539 nan 8.190 nan 0.000 0.445 745 A N 0.024 122.766 122.820 -0.129 0.000 1.940 745 A HA -0.308 4.011 4.320 -0.002 0.000 0.221 745 A C 2.404 179.956 177.584 -0.054 0.000 1.190 745 A CA 2.981 54.975 52.037 -0.072 0.000 0.647 745 A CB -0.961 18.001 19.000 -0.063 0.000 0.821 745 A HN 0.665 nan 8.150 nan 0.000 0.457 746 A N -0.913 121.867 122.820 -0.066 0.000 1.841 746 A HA 0.025 4.344 4.320 -0.002 0.000 0.214 746 A C 2.165 179.729 177.584 -0.034 0.000 1.195 746 A CA 1.712 53.723 52.037 -0.042 0.000 0.611 746 A CB -1.202 17.770 19.000 -0.047 0.000 0.835 746 A HN 0.577 nan 8.150 nan 0.000 0.443 747 V N 0.489 120.372 119.914 -0.051 0.000 2.428 747 V HA -0.359 3.760 4.120 -0.002 0.000 0.255 747 V C 2.515 178.598 176.094 -0.018 0.000 1.080 747 V CA 2.636 64.914 62.300 -0.037 0.000 1.083 747 V CB -0.809 30.985 31.823 -0.049 0.000 0.665 747 V HN 0.792 nan 8.190 nan 0.000 0.461 748 E N -0.390 119.799 120.200 -0.020 0.000 2.028 748 E HA -0.207 4.142 4.350 -0.002 0.000 0.190 748 E C 2.326 178.935 176.600 0.015 0.000 0.984 748 E CA 0.951 57.349 56.400 -0.002 0.000 0.800 748 E CB -0.110 29.585 29.700 -0.008 0.000 0.758 748 E HN 0.505 nan 8.360 nan 0.000 0.448 749 E N 0.067 120.275 120.200 0.013 0.000 2.130 749 E HA -0.186 4.163 4.350 -0.002 0.000 0.196 749 E C 1.955 178.583 176.600 0.046 0.000 0.998 749 E CA 1.205 57.623 56.400 0.030 0.000 0.806 749 E CB -0.518 29.196 29.700 0.024 0.000 0.738 749 E HN 0.460 nan 8.360 nan 0.000 0.459 750 G N 0.959 109.779 108.800 0.033 0.000 2.421 750 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.216 750 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.216 750 G C 1.696 176.637 174.900 0.068 0.000 1.171 750 G CA 0.740 45.866 45.100 0.043 0.000 0.775 750 G HN 0.221 nan 8.290 nan 0.000 0.543 751 R N 0.444 120.975 120.500 0.053 0.000 2.120 751 R HA 0.039 4.378 4.340 -0.002 0.000 0.234 751 R C 2.971 179.332 176.300 0.101 0.000 1.123 751 R CA 1.033 57.178 56.100 0.074 0.000 0.975 751 R CB -0.282 30.045 30.300 0.045 0.000 0.866 751 R HN 0.379 nan 8.270 nan 0.000 0.446 752 A N 1.488 124.356 122.820 0.080 0.000 1.854 752 A HA -0.100 4.219 4.320 -0.002 0.000 0.214 752 A C 2.093 179.734 177.584 0.095 0.000 1.192 752 A CA 0.893 52.977 52.037 0.079 0.000 0.611 752 A CB -0.318 18.723 19.000 0.068 0.000 0.832 752 A HN 0.055 nan 8.150 nan 0.000 0.442 753 I N -1.346 119.290 120.570 0.110 0.000 2.118 753 I HA -0.284 3.885 4.170 -0.002 0.000 0.241 753 I C 2.478 178.662 176.117 0.112 0.000 1.070 753 I CA 2.060 63.436 61.300 0.127 0.000 1.327 753 I CB -1.496 36.583 38.000 0.132 0.000 1.034 753 I HN 0.534 nan 8.210 nan 0.000 0.405 754 Y N 2.436 122.734 120.300 -0.003 0.000 2.165 754 Y HA -0.262 4.287 4.550 -0.002 0.000 0.286 754 Y C 2.527 178.385 175.900 -0.069 0.000 1.155 754 Y CA 1.714 59.786 58.100 -0.046 0.000 1.164 754 Y CB -0.420 38.019 38.460 -0.035 0.000 0.978 754 Y HN 0.231 nan 8.280 nan 0.000 0.513 755 N N 0.573 119.268 118.700 -0.009 0.000 2.036 755 N HA -0.225 4.514 4.740 -0.002 0.000 0.195 755 N C 1.450 176.851 175.510 -0.181 0.000 1.037 755 N CA 1.692 54.684 53.050 -0.097 0.000 0.855 755 N CB -0.659 37.831 38.487 0.006 0.000 1.033 755 N HN 0.463 nan 8.380 nan 0.000 0.423 756 N N 1.084 119.728 118.700 -0.094 0.000 2.058 756 N HA -0.148 4.591 4.740 -0.002 0.000 0.191 756 N C 1.876 177.239 175.510 -0.245 0.000 1.037 756 N CA 0.734 53.746 53.050 -0.063 0.000 0.848 756 N CB -0.492 38.040 38.487 0.074 0.000 1.021 756 N HN 0.322 nan 8.380 nan 0.000 0.422 757 M N 1.535 120.916 119.600 -0.365 0.000 2.089 757 M HA -0.247 4.232 4.480 -0.002 0.000 0.257 757 M C 2.124 177.693 176.300 -1.217 0.000 1.071 757 M CA 1.753 56.475 55.300 -0.963 0.000 1.096 757 M CB -0.054 32.267 32.600 -0.465 0.000 1.330 757 M HN 0.021 nan 8.290 nan 0.000 0.403 758 K N -0.486 119.374 120.400 -0.901 0.000 2.044 758 K HA -0.252 4.066 4.320 -0.002 0.000 0.210 758 K C 1.937 178.249 176.600 -0.480 0.000 1.049 758 K CA 1.912 57.728 56.287 -0.784 0.000 0.927 758 K CB -0.092 31.950 32.500 -0.763 0.000 0.713 758 K HN 0.473 nan 8.250 nan 0.000 0.443 759 Q N 0.098 119.688 119.800 -0.349 0.000 2.020 759 Q HA -0.131 4.208 4.340 -0.002 0.000 0.198 759 Q C 2.069 178.028 176.000 -0.069 0.000 0.974 759 Q CA 1.497 57.209 55.803 -0.152 0.000 0.829 759 Q CB -0.624 28.071 28.738 -0.071 0.000 0.894 759 Q HN 0.550 nan 8.270 nan 0.000 0.433 760 F N -0.132 119.776 119.950 -0.069 0.000 2.449 760 F HA -0.061 4.465 4.527 -0.002 0.000 0.299 760 F C 1.692 177.476 175.800 -0.026 0.000 1.092 760 F CA 0.448 58.444 58.000 -0.007 0.000 1.446 760 F CB -0.821 38.150 39.000 -0.048 0.000 1.084 760 F HN -0.047 nan 8.300 nan 0.000 0.567 761 I N 0.622 121.103 120.570 -0.149 0.000 2.339 761 I HA -0.135 4.034 4.170 -0.002 0.000 0.245 761 I C 2.575 178.595 176.117 -0.162 0.000 1.096 761 I CA 0.865 62.083 61.300 -0.137 0.000 1.408 761 I CB -0.393 37.411 38.000 -0.326 0.000 1.092 761 I HN -0.015 nan 8.210 nan 0.000 0.423 762 R N -0.078 120.312 120.500 -0.184 0.000 2.091 762 R HA -0.239 4.100 4.340 -0.002 0.000 0.238 762 R C 2.371 178.466 176.300 -0.342 0.000 1.136 762 R CA 1.782 57.718 56.100 -0.274 0.000 0.959 762 R CB -0.873 29.345 30.300 -0.138 0.000 0.856 762 R HN 0.306 nan 8.270 nan 0.000 0.437 763 Y N 2.198 122.338 120.300 -0.267 0.000 2.014 763 Y HA -0.270 4.279 4.550 -0.002 0.000 0.272 763 Y C 1.899 177.668 175.900 -0.219 0.000 1.164 763 Y CA 1.583 59.551 58.100 -0.219 0.000 1.114 763 Y CB -0.681 37.728 38.460 -0.085 0.000 0.961 763 Y HN -0.068 nan 8.280 nan 0.000 0.489 764 L N -0.347 120.618 121.223 -0.430 0.000 2.017 764 L HA -0.249 4.090 4.340 -0.002 0.000 0.208 764 L C 2.621 179.280 176.870 -0.352 0.000 1.073 764 L CA 1.273 55.818 54.840 -0.492 0.000 0.745 764 L CB -0.719 41.171 42.059 -0.281 0.000 0.894 764 L HN 0.281 nan 8.230 nan 0.000 0.432 765 I N 0.340 120.717 120.570 -0.321 0.000 2.264 765 I HA -0.273 3.896 4.170 -0.002 0.000 0.248 765 I C 2.894 178.827 176.117 -0.306 0.000 1.111 765 I CA 1.888 62.995 61.300 -0.323 0.000 1.382 765 I CB -0.752 36.980 38.000 -0.448 0.000 1.060 765 I HN 0.433 nan 8.210 nan 0.000 0.418 766 S N 0.894 116.336 115.700 -0.429 0.000 2.368 766 S HA -0.175 4.294 4.470 -0.002 0.000 0.224 766 S C 2.277 176.732 174.600 -0.242 0.000 1.029 766 S CA 1.446 59.394 58.200 -0.420 0.000 0.988 766 S CB -0.665 62.094 63.200 -0.734 0.000 0.838 766 S HN 0.575 nan 8.310 nan 0.000 0.462 767 S N 3.183 118.724 115.700 -0.265 0.000 2.351 767 S HA -0.224 4.245 4.470 -0.002 0.000 0.220 767 S C 1.747 176.266 174.600 -0.135 0.000 1.035 767 S CA 1.633 59.717 58.200 -0.194 0.000 1.031 767 S CB -1.523 61.508 63.200 -0.282 0.000 0.928 767 S HN 0.617 nan 8.310 nan 0.000 0.433 768 N N 1.336 119.953 118.700 -0.139 0.000 2.247 768 N HA -0.101 4.638 4.740 -0.002 0.000 0.189 768 N C 1.558 177.044 175.510 -0.041 0.000 1.009 768 N CA 1.456 54.466 53.050 -0.067 0.000 0.872 768 N CB -0.591 37.880 38.487 -0.026 0.000 0.980 768 N HN 0.390 nan 8.380 nan 0.000 0.436 769 V N -0.018 119.856 119.914 -0.065 0.000 2.244 769 V HA -0.152 3.967 4.120 -0.002 0.000 0.244 769 V C 2.467 178.537 176.094 -0.041 0.000 1.042 769 V CA 2.157 64.425 62.300 -0.053 0.000 1.006 769 V CB -1.378 30.391 31.823 -0.090 0.000 0.641 769 V HN 0.416 nan 8.190 nan 0.000 0.446 770 G N -0.416 108.358 108.800 -0.043 0.000 2.476 770 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.218 770 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.218 770 G C 1.419 176.317 174.900 -0.005 0.000 1.164 770 G CA 1.116 46.206 45.100 -0.016 0.000 0.768 770 G HN 0.600 nan 8.290 nan 0.000 0.560 771 E N -0.118 120.073 120.200 -0.014 0.000 2.065 771 E HA -0.160 4.189 4.350 -0.002 0.000 0.201 771 E C 2.693 179.304 176.600 0.019 0.000 1.016 771 E CA 1.328 57.727 56.400 -0.002 0.000 0.818 771 E CB -0.356 29.336 29.700 -0.014 0.000 0.749 771 E HN 0.305 nan 8.360 nan 0.000 0.453 772 V N 1.156 121.079 119.914 0.016 0.000 2.392 772 V HA -0.243 3.876 4.120 -0.002 0.000 0.249 772 V C 2.389 178.528 176.094 0.075 0.000 1.059 772 V CA 1.425 63.746 62.300 0.036 0.000 1.051 772 V CB -0.320 31.511 31.823 0.013 0.000 0.658 772 V HN 0.132 nan 8.190 nan 0.000 0.455 773 V N -0.636 119.311 119.914 0.056 0.000 2.255 773 V HA -0.339 3.780 4.120 -0.002 0.000 0.247 773 V C 2.596 178.775 176.094 0.142 0.000 1.051 773 V CA 2.190 64.550 62.300 0.099 0.000 1.018 773 V CB -1.140 30.711 31.823 0.047 0.000 0.641 773 V HN 0.801 nan 8.190 nan 0.000 0.445 774 C N 0.470 119.818 119.300 0.080 0.000 2.391 774 C HA -0.207 4.252 4.460 -0.002 0.000 0.276 774 C C 2.579 177.619 174.990 0.083 0.000 1.217 774 C CA 1.209 60.267 59.018 0.067 0.000 1.766 774 C CB -1.111 26.652 27.740 0.039 0.000 2.046 774 C HN 0.527 nan 8.230 nan 0.000 0.475 775 I N 0.068 120.692 120.570 0.090 0.000 2.394 775 I HA -0.035 4.133 4.170 -0.002 0.000 0.251 775 I C 2.270 178.457 176.117 0.116 0.000 1.136 775 I CA 1.443 62.793 61.300 0.084 0.000 1.425 775 I CB -1.557 36.487 38.000 0.073 0.000 1.079 775 I HN 0.422 nan 8.210 nan 0.000 0.425 776 F N 1.884 121.845 119.950 0.019 0.000 2.053 776 F HA -0.141 4.385 4.527 -0.002 0.000 0.292 776 F C 2.401 178.229 175.800 0.047 0.000 1.125 776 F CA 1.511 59.528 58.000 0.027 0.000 1.193 776 F CB -0.634 38.379 39.000 0.022 0.000 0.996 776 F HN -0.143 nan 8.300 nan 0.000 0.470 777 L N -0.152 121.095 121.223 0.041 0.000 1.976 777 L HA -0.381 3.958 4.340 -0.002 0.000 0.223 777 L C 2.463 179.283 176.870 -0.084 0.000 1.081 777 L CA 2.278 57.082 54.840 -0.060 0.000 0.784 777 L CB -1.490 40.611 42.059 0.069 0.000 0.896 777 L HN 0.234 nan 8.230 nan 0.000 0.438 778 T N -0.693 113.861 114.554 0.000 0.000 2.668 778 T HA -0.359 3.990 4.350 -0.002 0.000 0.265 778 T C 1.693 176.421 174.700 0.047 0.000 1.041 778 T CA 2.054 64.177 62.100 0.038 0.000 1.160 778 T CB -0.200 68.700 68.868 0.054 0.000 0.857 778 T HN 0.563 nan 8.240 nan 0.000 0.455 779 A N 0.295 123.089 122.820 -0.043 0.000 1.898 779 A HA 0.421 4.740 4.320 -0.002 0.000 0.214 779 A C 2.544 180.078 177.584 -0.084 0.000 1.183 779 A CA 1.530 53.554 52.037 -0.021 0.000 0.622 779 A CB -0.837 18.101 19.000 -0.104 0.000 0.824 779 A HN 0.543 nan 8.150 nan 0.000 0.444 780 A N -0.457 122.153 122.820 -0.349 0.000 2.014 780 A HA 0.167 4.486 4.320 -0.002 0.000 0.218 780 A C 1.783 179.312 177.584 -0.091 0.000 1.163 780 A CA 1.058 52.908 52.037 -0.312 0.000 0.652 780 A CB -0.393 18.255 19.000 -0.587 0.000 0.808 780 A HN 0.437 nan 8.150 nan 0.000 0.449 781 L N -1.441 119.754 121.223 -0.047 0.000 2.628 781 L HA 0.236 4.575 4.340 -0.002 0.000 0.229 781 L C 1.847 178.731 176.870 0.024 0.000 1.137 781 L CA 0.416 55.267 54.840 0.019 0.000 0.909 781 L CB -0.258 41.827 42.059 0.042 0.000 1.137 781 L HN 0.519 nan 8.230 nan 0.000 0.470 782 G N 0.923 109.769 108.800 0.077 0.000 2.382 782 G HA2 -0.385 3.574 3.960 -0.002 0.000 0.259 782 G HA3 -0.385 3.574 3.960 -0.002 0.000 0.259 782 G C 0.439 175.471 174.900 0.221 0.000 1.009 782 G CA 0.596 45.767 45.100 0.119 0.000 0.625 782 G HN 0.273 nan 8.290 nan 0.000 0.541 783 L N 2.379 123.668 121.223 0.109 0.000 2.654 783 L HA 0.251 4.590 4.340 -0.002 0.000 0.309 783 L C -1.308 175.624 176.870 0.102 0.000 1.267 783 L CA 0.114 54.982 54.840 0.046 0.000 0.866 783 L CB 0.049 42.107 42.059 -0.003 0.000 1.108 783 L HN 0.115 nan 8.230 nan 0.000 0.516 784 P HA 0.025 nan 4.420 nan 0.000 0.269 784 P C -1.113 176.158 177.300 -0.049 0.000 1.215 784 P CA -0.208 62.609 63.100 -0.472 0.000 0.780 784 P CB 0.286 31.498 31.700 -0.813 0.000 0.898 785 E N 1.128 121.357 120.200 0.047 0.000 2.614 785 E HA -0.031 4.318 4.350 -0.002 0.000 0.245 785 E C 0.933 177.572 176.600 0.064 0.000 1.039 785 E CA -0.018 56.430 56.400 0.080 0.000 0.948 785 E CB 0.217 29.974 29.700 0.095 0.000 0.937 785 E HN 0.410 nan 8.360 nan 0.000 0.498 786 A N 4.860 127.720 122.820 0.067 0.000 2.014 786 A HA 0.023 4.342 4.320 -0.002 0.000 0.218 786 A C 0.678 178.283 177.584 0.034 0.000 1.163 786 A CA 0.787 52.864 52.037 0.066 0.000 0.652 786 A CB 0.261 19.304 19.000 0.072 0.000 0.808 786 A HN 0.511 nan 8.150 nan 0.000 0.449 787 L N -0.013 121.231 121.223 0.035 0.000 2.472 787 L HA 0.451 4.790 4.340 -0.002 0.000 0.260 787 L C -1.244 175.650 176.870 0.041 0.000 0.963 787 L CA -0.720 54.134 54.840 0.022 0.000 0.829 787 L CB 2.214 44.282 42.059 0.015 0.000 1.348 787 L HN -0.014 nan 8.230 nan 0.000 0.408 788 I N 2.739 123.338 120.570 0.048 0.000 2.437 788 I HA 0.303 4.472 4.170 -0.002 0.000 0.298 788 I C -1.545 174.627 176.117 0.092 0.000 0.984 788 I CA -2.351 58.998 61.300 0.081 0.000 1.214 788 I CB 1.717 39.786 38.000 0.115 0.000 1.365 788 I HN 0.318 nan 8.210 nan 0.000 0.469 789 P HA -0.161 nan 4.420 nan 0.000 0.216 789 P C 1.834 179.215 177.300 0.135 0.000 1.154 789 P CA 1.210 64.368 63.100 0.098 0.000 0.865 789 P CB 0.308 32.065 31.700 0.095 0.000 0.789 790 V N -0.105 119.916 119.914 0.179 0.000 2.282 790 V HA -0.339 3.780 4.120 -0.002 0.000 0.249 790 V C 2.443 178.719 176.094 0.302 0.000 1.057 790 V CA 2.129 64.584 62.300 0.258 0.000 1.032 790 V CB -1.563 30.450 31.823 0.317 0.000 0.645 790 V HN 0.253 nan 8.190 nan 0.000 0.447 791 Q N -0.009 119.915 119.800 0.208 0.000 1.990 791 Q HA -0.135 4.204 4.340 -0.002 0.000 0.200 791 Q C 2.356 178.424 176.000 0.114 0.000 0.980 791 Q CA 1.647 57.476 55.803 0.042 0.000 0.832 791 Q CB -0.481 28.193 28.738 -0.107 0.000 0.897 791 Q HN 0.498 nan 8.270 nan 0.000 0.427 792 L N 0.774 122.046 121.223 0.081 0.000 2.010 792 L HA -0.294 4.045 4.340 -0.002 0.000 0.219 792 L C 2.528 179.446 176.870 0.079 0.000 1.077 792 L CA 1.310 56.186 54.840 0.060 0.000 0.773 792 L CB -0.892 41.194 42.059 0.046 0.000 0.892 792 L HN 0.268 nan 8.230 nan 0.000 0.436 793 L N -1.065 120.227 121.223 0.115 0.000 1.934 793 L HA -0.348 3.991 4.340 -0.002 0.000 0.227 793 L C 2.494 179.448 176.870 0.139 0.000 1.084 793 L CA 2.124 57.032 54.840 0.114 0.000 0.790 793 L CB -0.908 41.244 42.059 0.154 0.000 0.896 793 L HN 0.535 nan 8.230 nan 0.000 0.437 794 W N 0.505 121.840 121.300 0.057 0.000 2.257 794 W HA -0.346 4.313 4.660 -0.002 0.000 0.325 794 W C 2.220 178.750 176.519 0.019 0.000 1.296 794 W CA 2.534 59.916 57.345 0.063 0.000 1.297 794 W CB -0.606 28.922 29.460 0.114 0.000 1.131 794 W HN 0.060 nan 8.180 nan 0.000 0.492 795 V N 1.834 121.815 119.914 0.112 0.000 2.252 795 V HA -0.400 3.719 4.120 -0.002 0.000 0.249 795 V C 2.198 178.211 176.094 -0.135 0.000 1.056 795 V CA 2.594 64.881 62.300 -0.022 0.000 1.022 795 V CB -1.090 30.741 31.823 0.014 0.000 0.641 795 V HN 0.208 nan 8.190 nan 0.000 0.445 796 N N -0.440 118.198 118.700 -0.104 0.000 2.396 796 N HA 0.000 4.739 4.740 -0.002 0.000 0.180 796 N C 1.629 177.038 175.510 -0.168 0.000 1.028 796 N CA 0.962 53.931 53.050 -0.136 0.000 0.893 796 N CB -0.047 38.384 38.487 -0.093 0.000 0.967 796 N HN 0.416 nan 8.380 nan 0.000 0.440 797 L N -0.387 120.719 121.223 -0.196 0.000 2.316 797 L HA 0.100 4.439 4.340 -0.002 0.000 0.207 797 L C 1.597 178.261 176.870 -0.344 0.000 1.070 797 L CA 0.548 55.252 54.840 -0.227 0.000 0.820 797 L CB 0.254 42.208 42.059 -0.174 0.000 0.992 797 L HN -0.063 nan 8.230 nan 0.000 0.466 798 V N -1.816 117.763 119.914 -0.559 0.000 2.950 798 V HA -0.079 4.040 4.120 -0.002 0.000 0.231 798 V C 2.358 178.183 176.094 -0.447 0.000 1.205 798 V CA 1.242 63.156 62.300 -0.644 0.000 1.239 798 V CB -0.249 30.818 31.823 -1.260 0.000 1.050 798 V HN 0.383 nan 8.190 nan 0.000 0.498 799 T N -1.698 112.571 114.554 -0.476 0.000 2.977 799 T HA -0.166 4.183 4.350 -0.002 0.000 0.271 799 T C 1.073 175.720 174.700 -0.087 0.000 1.105 799 T CA 1.907 63.908 62.100 -0.165 0.000 1.116 799 T CB -0.212 68.638 68.868 -0.030 0.000 0.878 799 T HN 0.392 nan 8.240 nan 0.000 0.509 800 D N 0.217 120.534 120.400 -0.139 0.000 2.473 800 D HA 0.277 4.916 4.640 -0.002 0.000 0.230 800 D C 2.177 178.431 176.300 -0.076 0.000 1.097 800 D CA 0.560 54.505 54.000 -0.091 0.000 0.861 800 D CB -0.306 40.367 40.800 -0.213 0.000 1.114 800 D HN 0.424 nan 8.370 nan 0.000 0.500 801 G N 1.226 109.933 108.800 -0.155 0.000 2.505 801 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.214 801 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.214 801 G C 1.616 176.425 174.900 -0.151 0.000 1.237 801 G CA 0.557 45.554 45.100 -0.173 0.000 0.802 801 G HN 0.218 nan 8.290 nan 0.000 0.549 802 L N 1.669 122.805 121.223 -0.145 0.000 2.058 802 L HA -0.187 4.152 4.340 -0.002 0.000 0.226 802 L C 0.559 177.367 176.870 -0.104 0.000 1.089 802 L CA 2.321 57.087 54.840 -0.124 0.000 0.799 802 L CB -1.521 40.487 42.059 -0.085 0.000 0.900 802 L HN 0.297 nan 8.230 nan 0.000 0.442 803 P HA -0.169 nan 4.420 nan 0.000 0.217 803 P C 1.410 178.658 177.300 -0.087 0.000 1.151 803 P CA 2.047 65.121 63.100 -0.043 0.000 0.828 803 P CB 0.040 31.745 31.700 0.007 0.000 0.788 804 A N 0.797 123.628 122.820 0.019 0.000 1.851 804 A HA -0.200 4.119 4.320 -0.002 0.000 0.216 804 A C 2.512 179.887 177.584 -0.348 0.000 1.195 804 A CA 3.165 55.190 52.037 -0.020 0.000 0.622 804 A CB -2.125 16.876 19.000 0.003 0.000 0.831 804 A HN 0.370 nan 8.150 nan 0.000 0.444 805 T N -1.619 112.662 114.554 -0.456 0.000 2.977 805 T HA 0.091 4.440 4.350 -0.002 0.000 0.271 805 T C 1.726 176.003 174.700 -0.705 0.000 1.105 805 T CA 1.802 63.534 62.100 -0.613 0.000 1.116 805 T CB -0.421 68.166 68.868 -0.468 0.000 0.878 805 T HN 0.572 nan 8.240 nan 0.000 0.509 806 A N 1.382 123.926 122.820 -0.460 0.000 1.872 806 A HA 0.266 4.585 4.320 -0.002 0.000 0.214 806 A C 2.417 179.800 177.584 -0.334 0.000 1.187 806 A CA 1.054 52.856 52.037 -0.390 0.000 0.614 806 A CB -0.898 18.048 19.000 -0.090 0.000 0.826 806 A HN 0.538 nan 8.150 nan 0.000 0.442 807 L N -0.238 120.861 121.223 -0.207 0.000 2.197 807 L HA -0.225 4.114 4.340 -0.002 0.000 0.215 807 L C 2.685 179.536 176.870 -0.031 0.000 1.095 807 L CA 0.979 55.770 54.840 -0.081 0.000 0.764 807 L CB -0.694 41.346 42.059 -0.033 0.000 0.897 807 L HN 0.537 nan 8.230 nan 0.000 0.436 808 G N -0.161 108.538 108.800 -0.168 0.000 2.475 808 G HA2 -0.281 3.677 3.960 -0.002 0.000 0.220 808 G HA3 -0.281 3.677 3.960 -0.002 0.000 0.220 808 G C 0.954 175.923 174.900 0.114 0.000 1.125 808 G CA 0.417 45.500 45.100 -0.029 0.000 0.755 808 G HN 0.317 nan 8.290 nan 0.000 0.565 809 F N 1.087 121.115 119.950 0.129 0.000 2.693 809 F HA 0.305 4.831 4.527 -0.002 0.000 0.303 809 F C 0.721 176.596 175.800 0.123 0.000 1.143 809 F CA -1.760 56.331 58.000 0.152 0.000 1.389 809 F CB -1.364 37.792 39.000 0.260 0.000 1.060 809 F HN -0.106 nan 8.300 nan 0.000 0.535 810 N N 2.243 121.073 118.700 0.217 0.000 2.356 810 N HA -0.001 4.738 4.740 -0.002 0.000 0.252 810 N C -2.383 173.198 175.510 0.119 0.000 1.241 810 N CA -0.699 52.426 53.050 0.124 0.000 0.861 810 N CB 0.039 38.565 38.487 0.065 0.000 1.075 810 N HN -0.047 nan 8.380 nan 0.000 0.461 811 P HA 0.091 nan 4.420 nan 0.000 0.267 811 P C -2.400 174.932 177.300 0.052 0.000 1.200 811 P CA -0.521 62.616 63.100 0.062 0.000 0.772 811 P CB 0.155 31.876 31.700 0.034 0.000 0.855 812 P HA 0.188 nan 4.420 nan 0.000 0.285 812 P C -0.485 176.833 177.300 0.029 0.000 1.259 812 P CA -0.162 62.964 63.100 0.043 0.000 0.794 812 P CB 0.465 32.192 31.700 0.046 0.000 0.940 813 D N 1.417 121.832 120.400 0.026 0.000 2.390 813 D HA -0.005 4.634 4.640 -0.002 0.000 0.236 813 D C 1.340 177.650 176.300 0.018 0.000 1.189 813 D CA 0.232 54.243 54.000 0.019 0.000 0.887 813 D CB 0.818 41.629 40.800 0.018 0.000 1.198 813 D HN 0.322 nan 8.370 nan 0.000 0.444 814 L N 0.632 121.862 121.223 0.013 0.000 2.509 814 L HA -0.007 4.332 4.340 -0.002 0.000 0.222 814 L C 1.284 178.161 176.870 0.011 0.000 1.123 814 L CA 0.426 55.273 54.840 0.011 0.000 0.856 814 L CB -0.086 41.978 42.059 0.008 0.000 0.985 814 L HN 0.342 nan 8.230 nan 0.000 0.456 815 D N 0.107 120.513 120.400 0.011 0.000 2.501 815 D HA 0.032 4.671 4.640 -0.002 0.000 0.226 815 D C 1.541 177.849 176.300 0.014 0.000 1.198 815 D CA -0.132 53.874 54.000 0.010 0.000 0.830 815 D CB -0.192 40.612 40.800 0.007 0.000 1.014 815 D HN 0.395 nan 8.370 nan 0.000 0.496 816 I N -2.299 118.282 120.570 0.018 0.000 2.423 816 I HA -0.176 3.993 4.170 -0.002 0.000 0.254 816 I C 1.596 177.724 176.117 0.018 0.000 1.151 816 I CA 0.935 62.249 61.300 0.023 0.000 1.421 816 I CB -0.534 37.483 38.000 0.028 0.000 1.079 816 I HN -0.069 nan 8.210 nan 0.000 0.431 817 M N 0.143 119.751 119.600 0.014 0.000 2.383 817 M HA 0.131 4.610 4.480 -0.002 0.000 0.247 817 M C 0.471 176.777 176.300 0.010 0.000 1.117 817 M CA 0.597 55.903 55.300 0.010 0.000 0.995 817 M CB -0.365 32.240 32.600 0.007 0.000 1.480 817 M HN 0.219 nan 8.290 nan 0.000 0.485 818 D N 0.334 120.739 120.400 0.010 0.000 2.398 818 D HA 0.167 4.806 4.640 -0.002 0.000 0.210 818 D C 0.351 176.656 176.300 0.008 0.000 1.094 818 D CA 0.195 54.200 54.000 0.008 0.000 0.839 818 D CB 1.226 42.029 40.800 0.006 0.000 0.963 818 D HN 0.259 nan 8.370 nan 0.000 0.506 819 R N 1.697 122.203 120.500 0.010 0.000 2.514 819 R HA 0.324 4.663 4.340 -0.002 0.000 0.301 819 R C -2.352 173.954 176.300 0.012 0.000 0.962 819 R CA -1.609 54.498 56.100 0.011 0.000 0.882 819 R CB 1.951 32.261 30.300 0.016 0.000 1.143 819 R HN -0.066 nan 8.270 nan 0.000 0.452 820 P HA -0.018 nan 4.420 nan 0.000 0.269 820 P C -2.444 174.862 177.300 0.010 0.000 1.211 820 P CA -0.793 62.313 63.100 0.009 0.000 0.781 820 P CB -0.209 31.497 31.700 0.009 0.000 0.877 821 P HA 0.044 nan 4.420 nan 0.000 0.267 821 P C 0.250 177.549 177.300 -0.001 0.000 1.200 821 P CA 0.178 63.279 63.100 0.000 0.000 0.772 821 P CB 0.579 32.278 31.700 -0.002 0.000 0.855 822 R N 1.573 122.067 120.500 -0.010 0.000 2.694 822 R HA 0.178 4.517 4.340 -0.002 0.000 0.268 822 R C 0.202 176.490 176.300 -0.020 0.000 1.061 822 R CA -0.211 55.883 56.100 -0.009 0.000 1.133 822 R CB 0.201 30.486 30.300 -0.025 0.000 1.020 822 R HN 0.461 nan 8.270 nan 0.000 0.475 823 S N 3.009 118.706 115.700 -0.004 0.000 2.489 823 S HA 0.242 4.711 4.470 -0.002 0.000 0.277 823 S C -1.749 172.840 174.600 -0.018 0.000 1.230 823 S CA -1.796 56.402 58.200 -0.003 0.000 1.053 823 S CB 1.385 64.594 63.200 0.014 0.000 0.955 823 S HN 0.538 nan 8.310 nan 0.000 0.488 824 P HA -0.094 nan 4.420 nan 0.000 0.216 824 P C 0.213 177.506 177.300 -0.011 0.000 1.153 824 P CA 1.314 64.391 63.100 -0.038 0.000 0.858 824 P CB 0.107 31.792 31.700 -0.025 0.000 0.789 825 K N 0.050 120.454 120.400 0.006 0.000 2.665 825 K HA 0.023 4.342 4.320 -0.002 0.000 0.214 825 K C 0.446 177.065 176.600 0.031 0.000 1.032 825 K CA 0.074 56.373 56.287 0.020 0.000 1.198 825 K CB -0.289 32.223 32.500 0.021 0.000 0.941 825 K HN 0.314 nan 8.250 nan 0.000 0.491 826 E N 2.957 123.177 120.200 0.034 0.000 2.130 826 E HA 0.124 4.473 4.350 -0.002 0.000 0.284 826 E C -2.304 174.340 176.600 0.073 0.000 1.018 826 E CA -2.437 53.996 56.400 0.054 0.000 0.817 826 E CB 0.877 30.613 29.700 0.061 0.000 1.078 826 E HN -0.022 nan 8.360 nan 0.000 0.396 827 P HA 0.004 nan 4.420 nan 0.000 0.275 827 P C 0.713 178.068 177.300 0.092 0.000 1.228 827 P CA -0.073 63.077 63.100 0.082 0.000 0.786 827 P CB 1.172 32.921 31.700 0.080 0.000 0.927 828 L N 1.647 122.917 121.223 0.079 0.000 2.201 828 L HA 0.054 4.392 4.340 -0.002 0.000 0.212 828 L C 0.950 177.861 176.870 0.069 0.000 1.105 828 L CA 1.296 56.166 54.840 0.050 0.000 0.775 828 L CB -0.098 41.950 42.059 -0.017 0.000 0.913 828 L HN 0.379 nan 8.230 nan 0.000 0.440 829 I N -0.877 119.756 120.570 0.105 0.000 2.571 829 I HA 0.195 4.364 4.170 -0.002 0.000 0.286 829 I C -0.675 175.575 176.117 0.222 0.000 1.134 829 I CA -0.187 61.215 61.300 0.171 0.000 1.052 829 I CB 1.985 40.096 38.000 0.185 0.000 1.237 829 I HN -0.080 nan 8.210 nan 0.000 0.435 830 S N 3.279 119.108 115.700 0.214 0.000 2.615 830 S HA 0.901 5.370 4.470 -0.002 0.000 0.269 830 S C 0.124 174.840 174.600 0.192 0.000 1.161 830 S CA -0.262 58.051 58.200 0.189 0.000 0.817 830 S CB 1.494 64.754 63.200 0.100 0.000 1.131 830 S HN 1.317 nan 8.310 nan 0.000 0.467 831 G N 1.565 110.438 108.800 0.122 0.000 2.627 831 G HA2 -0.378 3.581 3.960 -0.002 0.000 0.312 831 G HA3 -0.378 3.581 3.960 -0.002 0.000 0.312 831 G C 0.849 175.921 174.900 0.287 0.000 1.299 831 G CA 0.692 45.884 45.100 0.152 0.000 0.989 831 G HN 1.300 nan 8.290 nan 0.000 0.547 832 W N -0.251 121.087 121.300 0.064 0.000 2.313 832 W HA -0.130 4.529 4.660 -0.002 0.000 0.293 832 W C 2.322 178.921 176.519 0.132 0.000 1.216 832 W CA 2.061 59.460 57.345 0.090 0.000 1.223 832 W CB -0.163 29.299 29.460 0.003 0.000 1.138 832 W HN 0.431 nan 8.180 nan 0.000 0.535 833 L N 0.289 121.574 121.223 0.103 0.000 2.109 833 L HA -0.092 4.247 4.340 -0.002 0.000 0.207 833 L C 2.322 179.094 176.870 -0.164 0.000 1.086 833 L CA 1.821 56.575 54.840 -0.144 0.000 0.760 833 L CB -1.527 40.514 42.059 -0.030 0.000 0.910 833 L HN -0.015 nan 8.230 nan 0.000 0.437 834 F N -0.696 119.219 119.950 -0.059 0.000 2.095 834 F HA -0.312 4.214 4.527 -0.002 0.000 0.298 834 F C 2.256 178.014 175.800 -0.070 0.000 1.104 834 F CA 1.968 59.968 58.000 0.001 0.000 1.232 834 F CB -0.492 38.542 39.000 0.057 0.000 0.987 834 F HN 0.202 nan 8.300 nan 0.000 0.475 835 F N 1.212 121.154 119.950 -0.013 0.000 2.102 835 F HA -0.149 4.377 4.527 -0.002 0.000 0.298 835 F C 2.537 178.055 175.800 -0.470 0.000 1.105 835 F CA 1.857 59.714 58.000 -0.238 0.000 1.239 835 F CB -0.643 38.106 39.000 -0.417 0.000 0.991 835 F HN -0.172 nan 8.300 nan 0.000 0.474 836 R N -1.035 119.070 120.500 -0.658 0.000 2.082 836 R HA -0.226 4.113 4.340 -0.002 0.000 0.234 836 R C 2.138 178.119 176.300 -0.531 0.000 1.136 836 R CA 2.220 57.897 56.100 -0.704 0.000 0.935 836 R CB -0.838 29.027 30.300 -0.726 0.000 0.842 836 R HN 0.330 nan 8.270 nan 0.000 0.430 837 Y N -0.357 119.751 120.300 -0.320 0.000 2.509 837 Y HA -0.097 4.452 4.550 -0.002 0.000 0.293 837 Y C 2.044 177.735 175.900 -0.347 0.000 1.133 837 Y CA 0.603 58.537 58.100 -0.276 0.000 1.283 837 Y CB -0.371 37.950 38.460 -0.232 0.000 1.001 837 Y HN 0.117 nan 8.280 nan 0.000 0.555 838 M N 0.098 119.477 119.600 -0.368 0.000 2.132 838 M HA -0.049 4.430 4.480 -0.002 0.000 0.263 838 M C 2.181 178.267 176.300 -0.356 0.000 1.065 838 M CA 1.860 56.910 55.300 -0.418 0.000 1.122 838 M CB -0.336 31.974 32.600 -0.484 0.000 1.365 838 M HN 0.125 nan 8.290 nan 0.000 0.411 839 A N 0.439 122.965 122.820 -0.489 0.000 1.835 839 A HA -0.014 4.305 4.320 -0.002 0.000 0.213 839 A C 1.965 179.462 177.584 -0.145 0.000 1.210 839 A CA 1.388 53.200 52.037 -0.376 0.000 0.605 839 A CB -0.945 17.728 19.000 -0.544 0.000 0.860 839 A HN 0.486 nan 8.150 nan 0.000 0.447 840 I N 0.613 121.108 120.570 -0.125 0.000 2.143 840 I HA -0.301 3.868 4.170 -0.002 0.000 0.245 840 I C 2.596 178.757 176.117 0.073 0.000 1.068 840 I CA 1.800 63.102 61.300 0.005 0.000 1.326 840 I CB -2.131 35.900 38.000 0.051 0.000 1.028 840 I HN 0.381 nan 8.210 nan 0.000 0.412 841 G N 0.567 109.370 108.800 0.005 0.000 2.511 841 G HA2 -0.191 3.768 3.960 -0.002 0.000 0.216 841 G HA3 -0.191 3.768 3.960 -0.002 0.000 0.216 841 G C 1.784 176.690 174.900 0.009 0.000 1.218 841 G CA 1.056 46.153 45.100 -0.005 0.000 0.788 841 G HN 0.479 nan 8.290 nan 0.000 0.560 842 G N -0.029 108.755 108.800 -0.026 0.000 2.547 842 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.221 842 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.221 842 G C 1.568 176.472 174.900 0.007 0.000 1.140 842 G CA 1.436 46.525 45.100 -0.017 0.000 0.760 842 G HN 0.464 nan 8.290 nan 0.000 0.583 843 Y N 1.205 121.475 120.300 -0.051 0.000 2.006 843 Y HA -0.244 4.305 4.550 -0.002 0.000 0.266 843 Y C 2.946 178.840 175.900 -0.011 0.000 1.133 843 Y CA 2.748 60.830 58.100 -0.029 0.000 1.098 843 Y CB -0.941 37.498 38.460 -0.034 0.000 0.969 843 Y HN 0.112 nan 8.280 nan 0.000 0.482 844 V N 0.890 120.861 119.914 0.094 0.000 2.380 844 V HA -0.246 3.873 4.120 -0.002 0.000 0.251 844 V C 2.184 178.241 176.094 -0.062 0.000 1.063 844 V CA 2.616 64.926 62.300 0.017 0.000 1.055 844 V CB -1.514 30.371 31.823 0.103 0.000 0.657 844 V HN 0.648 nan 8.190 nan 0.000 0.455 845 G N -0.771 108.008 108.800 -0.035 0.000 2.446 845 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.217 845 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.217 845 G C 1.725 176.605 174.900 -0.033 0.000 1.168 845 G CA 1.373 46.466 45.100 -0.012 0.000 0.771 845 G HN 0.927 nan 8.290 nan 0.000 0.551 846 A N 1.131 123.895 122.820 -0.094 0.000 1.835 846 A HA 0.396 4.715 4.320 -0.002 0.000 0.213 846 A C 2.879 180.376 177.584 -0.145 0.000 1.210 846 A CA 2.248 54.225 52.037 -0.101 0.000 0.605 846 A CB -1.207 17.711 19.000 -0.137 0.000 0.860 846 A HN 1.028 nan 8.150 nan 0.000 0.447 847 A N -0.036 122.594 122.820 -0.318 0.000 1.893 847 A HA -0.349 3.970 4.320 -0.002 0.000 0.222 847 A C 2.514 180.031 177.584 -0.111 0.000 1.309 847 A CA 4.057 55.914 52.037 -0.300 0.000 0.681 847 A CB -1.994 16.734 19.000 -0.453 0.000 0.842 847 A HN 0.980 nan 8.150 nan 0.000 0.468 848 T N -2.282 112.230 114.554 -0.070 0.000 2.622 848 T HA -0.177 4.172 4.350 -0.002 0.000 0.266 848 T C 1.710 176.426 174.700 0.028 0.000 1.047 848 T CA 2.022 64.115 62.100 -0.012 0.000 1.159 848 T CB -1.265 67.601 68.868 -0.004 0.000 0.863 848 T HN 0.202 nan 8.240 nan 0.000 0.422 849 V N 2.458 122.391 119.914 0.032 0.000 2.231 849 V HA -0.134 3.985 4.120 -0.002 0.000 0.248 849 V C 3.153 179.317 176.094 0.117 0.000 1.054 849 V CA 2.160 64.504 62.300 0.072 0.000 1.015 849 V CB -1.673 30.189 31.823 0.064 0.000 0.638 849 V HN 0.730 nan 8.190 nan 0.000 0.444 850 G N -0.595 108.262 108.800 0.094 0.000 2.469 850 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.220 850 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.220 850 G C 1.680 176.720 174.900 0.234 0.000 1.136 850 G CA 1.089 46.278 45.100 0.148 0.000 0.759 850 G HN 0.680 nan 8.290 nan 0.000 0.562 851 A N 0.514 123.433 122.820 0.166 0.000 2.067 851 A HA 0.411 4.730 4.320 -0.002 0.000 0.219 851 A C 2.614 180.412 177.584 0.355 0.000 1.158 851 A CA 2.009 54.184 52.037 0.230 0.000 0.661 851 A CB -0.333 18.714 19.000 0.077 0.000 0.801 851 A HN 0.689 nan 8.150 nan 0.000 0.452 852 A N -0.583 122.404 122.820 0.279 0.000 1.924 852 A HA 0.464 4.783 4.320 -0.002 0.000 0.211 852 A C 2.297 180.175 177.584 0.489 0.000 1.198 852 A CA 1.139 53.352 52.037 0.292 0.000 0.657 852 A CB -0.745 18.388 19.000 0.221 0.000 0.852 852 A HN 0.939 nan 8.150 nan 0.000 0.454 853 A N -1.834 121.248 122.820 0.437 0.000 2.209 853 A HA -0.005 4.314 4.320 -0.002 0.000 0.212 853 A C 1.732 179.600 177.584 0.473 0.000 1.158 853 A CA 1.229 53.537 52.037 0.451 0.000 0.742 853 A CB -0.666 18.506 19.000 0.287 0.000 0.790 853 A HN 0.858 nan 8.150 nan 0.000 0.472 854 W N -1.306 120.161 121.300 0.278 0.000 2.526 854 W HA 0.009 4.668 4.660 -0.001 0.000 0.294 854 W C 1.772 178.413 176.519 0.203 0.000 1.181 854 W CA 1.006 58.493 57.345 0.237 0.000 1.373 854 W CB -0.696 28.865 29.460 0.168 0.000 1.112 854 W HN 0.402 nan 8.180 nan 0.000 0.545 855 W N 0.576 121.738 121.300 -0.230 0.000 2.387 855 W HA -0.207 4.452 4.660 -0.002 0.000 0.272 855 W C 1.519 177.706 176.519 -0.553 0.000 1.224 855 W CA 2.180 59.142 57.345 -0.637 0.000 1.210 855 W CB -0.578 28.620 29.460 -0.436 0.000 1.125 855 W HN -0.068 nan 8.180 nan 0.000 0.572 856 F N -0.636 119.276 119.950 -0.065 0.000 2.148 856 F HA 0.170 4.696 4.527 -0.002 0.000 0.285 856 F C 1.559 177.192 175.800 -0.278 0.000 1.092 856 F CA 1.021 58.932 58.000 -0.147 0.000 1.218 856 F CB -0.927 38.124 39.000 0.086 0.000 1.059 856 F HN -0.425 nan 8.300 nan 0.000 0.490 857 M N -0.413 119.225 119.600 0.062 0.000 2.157 857 M HA 0.186 4.665 4.480 -0.002 0.000 0.354 857 M C -0.885 175.360 176.300 -0.092 0.000 1.170 857 M CA -0.249 54.986 55.300 -0.108 0.000 1.060 857 M CB 0.728 33.360 32.600 0.053 0.000 1.615 857 M HN 0.306 nan 8.290 nan 0.000 0.460 858 Y N -0.690 119.533 120.300 -0.129 0.000 4.912 858 Y HA -0.218 4.331 4.550 -0.002 0.000 0.252 858 Y C 0.294 176.015 175.900 -0.299 0.000 0.965 858 Y CA 0.480 58.520 58.100 -0.101 0.000 1.978 858 Y CB -2.207 36.323 38.460 0.117 0.000 1.477 858 Y HN 0.784 nan 8.280 nan 0.000 0.606 859 A N 0.310 122.811 122.820 -0.532 0.000 2.281 859 A HA 0.728 5.047 4.320 -0.002 0.000 0.329 859 A C 0.551 177.849 177.584 -0.476 0.000 1.122 859 A CA -0.527 51.051 52.037 -0.766 0.000 0.850 859 A CB 0.752 18.976 19.000 -1.294 0.000 1.207 859 A HN 0.304 nan 8.150 nan 0.000 0.495 860 E N 0.178 120.156 120.200 -0.370 0.000 2.598 860 E HA 0.186 4.535 4.350 -0.002 0.000 0.233 860 E C -0.822 175.629 176.600 -0.249 0.000 1.173 860 E CA -0.078 56.181 56.400 -0.234 0.000 1.473 860 E CB 0.318 29.963 29.700 -0.092 0.000 1.398 860 E HN 0.631 nan 8.360 nan 0.000 0.431 861 D N -0.780 119.370 120.400 -0.417 0.000 2.315 861 D HA 0.056 4.695 4.640 -0.002 0.000 0.272 861 D C 0.587 176.588 176.300 -0.498 0.000 1.238 861 D CA 0.325 54.117 54.000 -0.346 0.000 1.160 861 D CB 0.704 41.380 40.800 -0.207 0.000 1.780 861 D HN 0.197 nan 8.370 nan 0.000 0.484 862 G N 2.944 111.139 108.800 -1.009 0.000 3.418 862 G HA2 0.482 4.441 3.960 -0.002 0.000 0.325 862 G HA3 0.482 4.441 3.960 -0.002 0.000 0.325 862 G C -2.926 171.440 174.900 -0.889 0.000 1.556 862 G CA -1.034 43.444 45.100 -1.036 0.000 1.047 862 G HN -0.161 nan 8.290 nan 0.000 0.500 863 P HA 0.301 nan 4.420 nan 0.000 0.282 863 P C 0.494 177.655 177.300 -0.233 0.000 1.274 863 P CA 0.203 63.078 63.100 -0.374 0.000 0.770 863 P CB 2.260 33.788 31.700 -0.287 0.000 0.867 864 G N 2.048 110.767 108.800 -0.135 0.000 2.795 864 G HA2 0.360 4.319 3.960 -0.002 0.000 0.267 864 G HA3 0.360 4.319 3.960 -0.002 0.000 0.267 864 G C -0.556 174.329 174.900 -0.025 0.000 1.362 864 G CA -0.713 44.386 45.100 -0.002 0.000 1.048 864 G HN 0.278 nan 8.290 nan 0.000 0.547 865 V N 1.543 121.481 119.914 0.040 0.000 2.382 865 V HA 0.055 4.174 4.120 -0.002 0.000 0.250 865 V C 2.019 178.123 176.094 0.016 0.000 1.069 865 V CA 0.985 63.300 62.300 0.025 0.000 1.130 865 V CB -0.171 31.693 31.823 0.068 0.000 1.165 865 V HN 0.946 nan 8.190 nan 0.000 0.483 866 T N 1.093 115.614 114.554 -0.055 0.000 3.098 866 T HA -0.172 4.177 4.350 -0.002 0.000 0.266 866 T C 1.239 175.989 174.700 0.083 0.000 1.145 866 T CA 0.899 62.916 62.100 -0.137 0.000 1.092 866 T CB -0.373 68.256 68.868 -0.399 0.000 0.908 866 T HN 0.545 nan 8.240 nan 0.000 0.526 867 Y N 0.609 120.890 120.300 -0.032 0.000 2.490 867 Y HA 0.196 4.745 4.550 -0.001 0.000 0.281 867 Y C 1.435 177.404 175.900 0.115 0.000 1.174 867 Y CA -0.329 57.776 58.100 0.009 0.000 1.295 867 Y CB -0.297 38.124 38.460 -0.065 0.000 1.062 867 Y HN 0.608 nan 8.280 nan 0.000 0.522 868 H N -2.315 116.792 119.070 0.061 0.000 3.863 868 H HA -0.209 4.346 4.556 -0.002 0.000 0.160 868 H C 1.532 176.839 175.328 -0.036 0.000 0.870 868 H CA 1.079 57.135 56.048 0.012 0.000 1.247 868 H CB -1.122 28.635 29.762 -0.007 0.000 0.921 868 H HN 0.220 nan 8.280 nan 0.000 0.421 869 Q N 0.476 120.305 119.800 0.048 0.000 2.443 869 Q HA -0.086 4.253 4.340 -0.002 0.000 0.213 869 Q C 2.387 178.262 176.000 -0.210 0.000 0.982 869 Q CA 1.291 57.078 55.803 -0.027 0.000 0.894 869 Q CB -0.395 28.443 28.738 0.166 0.000 0.947 869 Q HN 0.677 nan 8.270 nan 0.000 0.480 870 L N 0.799 121.923 121.223 -0.165 0.000 2.197 870 L HA -0.184 4.155 4.340 -0.002 0.000 0.215 870 L C 1.658 178.331 176.870 -0.329 0.000 1.095 870 L CA 1.965 56.704 54.840 -0.169 0.000 0.764 870 L CB -1.123 40.832 42.059 -0.174 0.000 0.897 870 L HN 0.035 nan 8.230 nan 0.000 0.436 871 T N -0.348 113.902 114.554 -0.508 0.000 2.778 871 T HA -0.178 4.171 4.350 -0.002 0.000 0.269 871 T C 1.131 175.528 174.700 -0.506 0.000 1.050 871 T CA 1.861 63.652 62.100 -0.515 0.000 1.137 871 T CB -0.595 67.895 68.868 -0.631 0.000 0.860 871 T HN 0.606 nan 8.240 nan 0.000 0.468 872 H N 0.703 119.665 119.070 -0.180 0.000 2.537 872 H HA 0.206 4.761 4.556 -0.002 0.000 0.295 872 H C 1.569 176.646 175.328 -0.418 0.000 1.054 872 H CA -0.581 55.302 56.048 -0.275 0.000 1.156 872 H CB -1.010 28.680 29.762 -0.120 0.000 1.468 872 H HN 0.570 nan 8.280 nan 0.000 0.551 873 F N 0.262 119.896 119.950 -0.526 0.000 2.271 873 F HA -0.237 4.289 4.527 -0.002 0.000 0.302 873 F C 1.886 177.393 175.800 -0.489 0.000 1.063 873 F CA 0.743 58.177 58.000 -0.945 0.000 1.362 873 F CB -0.491 37.302 39.000 -2.011 0.000 1.060 873 F HN -0.033 nan 8.300 nan 0.000 0.521 874 M N 0.665 119.575 119.600 -1.149 0.000 2.159 874 M HA -0.132 4.347 4.480 -0.002 0.000 0.263 874 M C 0.662 176.777 176.300 -0.309 0.000 1.063 874 M CA 1.309 56.162 55.300 -0.745 0.000 1.110 874 M CB -1.221 30.904 32.600 -0.792 0.000 1.374 874 M HN 0.350 nan 8.290 nan 0.000 0.411 875 Q N -0.901 118.755 119.800 -0.239 0.000 2.406 875 Q HA 0.145 4.484 4.340 -0.002 0.000 0.242 875 Q C 0.491 176.499 176.000 0.014 0.000 1.036 875 Q CA -0.449 55.291 55.803 -0.105 0.000 0.904 875 Q CB 1.462 30.131 28.738 -0.115 0.000 1.244 875 Q HN 0.356 nan 8.270 nan 0.000 0.478 876 c N 0.732 119.376 118.600 0.073 0.000 3.478 876 c HA -0.058 4.511 4.570 -0.002 0.000 0.456 876 c C 2.457 176.662 174.090 0.192 0.000 1.344 876 c CA 0.980 57.426 56.329 0.195 0.000 2.265 876 c CB 0.155 42.867 42.510 0.336 0.000 2.855 876 c HN 0.944 nan 8.230 nan 0.000 0.464 877 T N 1.196 115.828 114.554 0.130 0.000 2.597 877 T HA -0.252 4.097 4.350 -0.002 0.000 0.267 877 T C 1.226 175.959 174.700 0.055 0.000 1.053 877 T CA 2.409 64.553 62.100 0.074 0.000 1.165 877 T CB -0.851 68.032 68.868 0.024 0.000 0.863 877 T HN 0.829 nan 8.240 nan 0.000 0.427 878 E N 1.427 121.647 120.200 0.032 0.000 2.033 878 E HA -0.042 4.307 4.350 -0.002 0.000 0.189 878 E C 1.603 178.236 176.600 0.056 0.000 0.979 878 E CA 0.804 57.216 56.400 0.020 0.000 0.802 878 E CB -0.301 29.389 29.700 -0.017 0.000 0.763 878 E HN 0.359 nan 8.360 nan 0.000 0.449 879 D N 0.429 120.855 120.400 0.044 0.000 2.826 879 D HA -0.072 4.567 4.640 -0.002 0.000 0.247 879 D C 0.821 177.206 176.300 0.141 0.000 1.238 879 D CA 0.179 54.206 54.000 0.045 0.000 0.894 879 D CB -0.203 40.579 40.800 -0.031 0.000 1.100 879 D HN 0.197 nan 8.370 nan 0.000 0.453 880 H N 0.349 119.446 119.070 0.045 0.000 2.293 880 H HA -0.021 4.534 4.556 -0.002 0.000 0.300 880 H C -0.980 174.383 175.328 0.058 0.000 1.082 880 H CA 1.702 57.784 56.048 0.056 0.000 1.308 880 H CB -0.549 29.232 29.762 0.032 0.000 1.375 880 H HN 0.240 nan 8.280 nan 0.000 0.495 881 P HA -0.146 nan 4.420 nan 0.000 0.214 881 P C 0.107 177.371 177.300 -0.061 0.000 1.162 881 P CA 1.141 64.210 63.100 -0.052 0.000 0.874 881 P CB -0.244 31.449 31.700 -0.011 0.000 0.784 882 H N 1.478 120.467 119.070 -0.135 0.000 3.282 882 H HA -0.107 4.448 4.556 -0.002 0.000 0.242 882 H C -0.290 174.982 175.328 -0.093 0.000 0.880 882 H CA 0.093 56.003 56.048 -0.231 0.000 1.392 882 H CB -1.523 28.139 29.762 -0.168 0.000 1.525 882 H HN -0.001 nan 8.280 nan 0.000 0.515 883 F N 3.853 123.667 119.950 -0.227 0.000 2.738 883 F HA -0.291 4.235 4.527 -0.001 0.000 0.232 883 F C 0.740 176.532 175.800 -0.014 0.000 1.025 883 F CA 1.180 59.087 58.000 -0.155 0.000 0.895 883 F CB -1.090 37.776 39.000 -0.223 0.000 0.839 883 F HN 0.648 nan 8.300 nan 0.000 0.850 884 E N -0.441 119.818 120.200 0.098 0.000 3.688 884 E HA 0.384 4.733 4.350 -0.002 0.000 0.217 884 E C 1.947 178.501 176.600 -0.077 0.000 1.289 884 E CA 0.570 56.990 56.400 0.034 0.000 1.408 884 E CB -0.499 29.200 29.700 -0.002 0.000 2.370 884 E HN 0.294 nan 8.360 nan 0.000 0.584 885 G N 2.394 111.048 108.800 -0.243 0.000 2.168 885 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.263 885 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.263 885 G C 0.425 175.235 174.900 -0.150 0.000 0.977 885 G CA 1.440 46.407 45.100 -0.222 0.000 0.659 885 G HN 0.261 nan 8.290 nan 0.000 0.533 886 L N -4.154 117.000 121.223 -0.115 0.000 2.251 886 L HA 0.845 5.184 4.340 -0.002 0.000 0.244 886 L C -0.270 176.666 176.870 0.109 0.000 1.095 886 L CA -1.251 53.588 54.840 -0.002 0.000 0.910 886 L CB 0.921 42.958 42.059 -0.036 0.000 1.516 886 L HN -0.057 nan 8.230 nan 0.000 0.429 887 D N 0.333 120.772 120.400 0.065 0.000 2.488 887 D HA 0.048 4.687 4.640 -0.002 0.000 0.238 887 D C -0.972 175.355 176.300 0.046 0.000 1.138 887 D CA 0.167 54.205 54.000 0.063 0.000 0.873 887 D CB 0.951 41.754 40.800 0.006 0.000 1.183 887 D HN 0.594 nan 8.370 nan 0.000 0.458 888 c N 4.312 122.969 118.600 0.095 0.000 2.250 888 c HA 0.312 4.881 4.570 -0.002 0.000 0.380 888 c C 1.113 175.275 174.090 0.120 0.000 1.075 888 c CA -0.423 55.989 56.329 0.139 0.000 1.577 888 c CB -0.926 41.709 42.510 0.209 0.000 1.608 888 c HN 0.765 nan 8.230 nan 0.000 0.477 889 E N 0.307 120.537 120.200 0.051 0.000 2.108 889 E HA 0.011 4.360 4.350 -0.002 0.000 0.135 889 E C 0.993 177.617 176.600 0.039 0.000 0.799 889 E CA -0.027 56.425 56.400 0.086 0.000 1.327 889 E CB 0.058 29.794 29.700 0.059 0.000 1.948 889 E HN 0.421 nan 8.360 nan 0.000 0.575 890 I N 0.803 121.316 120.570 -0.095 0.000 2.546 890 I HA -0.089 4.080 4.170 -0.002 0.000 0.255 890 I C 1.665 177.887 176.117 0.175 0.000 1.163 890 I CA 1.078 62.363 61.300 -0.025 0.000 1.457 890 I CB -1.035 36.871 38.000 -0.155 0.000 1.092 890 I HN 0.174 nan 8.210 nan 0.000 0.434 891 F N 1.351 121.481 119.950 0.300 0.000 2.216 891 F HA -0.141 4.385 4.527 -0.002 0.000 0.300 891 F C 2.284 178.177 175.800 0.155 0.000 1.085 891 F CA 0.901 59.021 58.000 0.200 0.000 1.326 891 F CB -0.812 38.093 39.000 -0.159 0.000 1.027 891 F HN 0.176 nan 8.300 nan 0.000 0.497 892 E N 0.299 120.650 120.200 0.251 0.000 2.445 892 E HA 0.224 4.573 4.350 -0.002 0.000 0.189 892 E C 0.660 177.291 176.600 0.052 0.000 1.069 892 E CA -0.278 56.203 56.400 0.134 0.000 0.871 892 E CB -0.017 29.750 29.700 0.112 0.000 0.991 892 E HN 0.230 nan 8.360 nan 0.000 0.481 893 A N 2.082 124.923 122.820 0.036 0.000 2.466 893 A HA 0.082 4.401 4.320 -0.002 0.000 0.238 893 A C -1.367 176.046 177.584 -0.285 0.000 1.074 893 A CA -0.907 51.038 52.037 -0.153 0.000 0.774 893 A CB 0.147 18.988 19.000 -0.265 0.000 1.015 893 A HN 0.040 nan 8.150 nan 0.000 0.498 894 P HA -0.082 nan 4.420 nan 0.000 0.217 894 P C 0.904 177.917 177.300 -0.478 0.000 1.153 894 P CA 1.101 64.017 63.100 -0.307 0.000 0.843 894 P CB 0.090 31.666 31.700 -0.207 0.000 0.794 895 E N 1.508 121.276 120.200 -0.720 0.000 2.118 895 E HA -0.122 4.227 4.350 -0.002 0.000 0.195 895 E C -0.639 175.331 176.600 -1.049 0.000 0.992 895 E CA 1.329 57.205 56.400 -0.874 0.000 0.804 895 E CB -2.606 26.518 29.700 -0.959 0.000 0.741 895 E HN 0.362 nan 8.360 nan 0.000 0.458 896 P HA -0.111 nan 4.420 nan 0.000 0.219 896 P C 1.694 178.806 177.300 -0.314 0.000 1.146 896 P CA 1.300 63.922 63.100 -0.797 0.000 0.808 896 P CB -0.129 31.068 31.700 -0.838 0.000 0.779 897 M N -0.366 119.043 119.600 -0.318 0.000 2.191 897 M HA -0.053 4.426 4.480 -0.002 0.000 0.262 897 M C 2.491 178.680 176.300 -0.185 0.000 1.083 897 M CA 2.298 57.496 55.300 -0.168 0.000 1.154 897 M CB -1.416 31.104 32.600 -0.134 0.000 1.344 897 M HN -0.012 nan 8.290 nan 0.000 0.431 898 T N -0.359 114.041 114.554 -0.257 0.000 2.918 898 T HA -0.169 4.180 4.350 -0.002 0.000 0.271 898 T C 1.684 176.244 174.700 -0.234 0.000 1.104 898 T CA 1.018 62.969 62.100 -0.249 0.000 1.114 898 T CB -0.074 68.607 68.868 -0.311 0.000 0.855 898 T HN 0.109 nan 8.240 nan 0.000 0.518 899 M N 1.485 120.956 119.600 -0.215 0.000 2.074 899 M HA 0.274 4.753 4.480 -0.002 0.000 0.258 899 M C 3.043 179.295 176.300 -0.081 0.000 1.083 899 M CA 1.721 56.941 55.300 -0.133 0.000 1.128 899 M CB -1.786 30.817 32.600 0.004 0.000 1.301 899 M HN 0.465 nan 8.290 nan 0.000 0.417 900 A N 0.253 123.052 122.820 -0.035 0.000 1.971 900 A HA -0.233 4.086 4.320 -0.002 0.000 0.222 900 A C 2.305 179.865 177.584 -0.041 0.000 1.182 900 A CA 2.041 54.070 52.037 -0.014 0.000 0.649 900 A CB -1.180 17.826 19.000 0.010 0.000 0.818 900 A HN 0.527 nan 8.150 nan 0.000 0.458 901 L N -1.031 120.151 121.223 -0.069 0.000 2.072 901 L HA -0.058 4.281 4.340 -0.002 0.000 0.205 901 L C 2.552 179.364 176.870 -0.097 0.000 1.079 901 L CA 1.912 56.706 54.840 -0.075 0.000 0.752 901 L CB -0.213 41.792 42.059 -0.090 0.000 0.906 901 L HN 0.272 nan 8.230 nan 0.000 0.436 902 S N -1.010 114.630 115.700 -0.099 0.000 2.399 902 S HA -0.188 4.281 4.470 -0.002 0.000 0.231 902 S C 1.868 176.436 174.600 -0.053 0.000 1.022 902 S CA 1.349 59.486 58.200 -0.105 0.000 0.983 902 S CB -0.285 62.762 63.200 -0.256 0.000 0.803 902 S HN 0.454 nan 8.310 nan 0.000 0.480 903 V N 1.451 121.336 119.914 -0.048 0.000 2.453 903 V HA -0.066 4.053 4.120 -0.002 0.000 0.247 903 V C 1.961 178.066 176.094 0.018 0.000 1.048 903 V CA 1.282 63.584 62.300 0.003 0.000 1.049 903 V CB -0.317 31.503 31.823 -0.006 0.000 0.672 903 V HN 0.404 nan 8.190 nan 0.000 0.457 904 L N -0.056 121.159 121.223 -0.013 0.000 1.955 904 L HA -0.091 4.248 4.340 -0.002 0.000 0.213 904 L C 2.432 179.298 176.870 -0.007 0.000 1.072 904 L CA 2.540 57.375 54.840 -0.007 0.000 0.755 904 L CB -0.926 41.116 42.059 -0.028 0.000 0.888 904 L HN 0.193 nan 8.230 nan 0.000 0.432 905 V N 0.064 119.940 119.914 -0.063 0.000 2.225 905 V HA -0.479 3.640 4.120 -0.002 0.000 0.252 905 V C 2.693 178.802 176.094 0.025 0.000 1.055 905 V CA 3.207 65.467 62.300 -0.067 0.000 1.032 905 V CB -1.613 30.054 31.823 -0.260 0.000 0.655 905 V HN 0.826 nan 8.190 nan 0.000 0.458 906 T N -0.717 113.876 114.554 0.065 0.000 2.649 906 T HA -0.295 4.054 4.350 -0.002 0.000 0.268 906 T C 1.737 176.495 174.700 0.095 0.000 1.036 906 T CA 2.371 64.540 62.100 0.114 0.000 1.157 906 T CB -0.812 68.155 68.868 0.164 0.000 0.861 906 T HN 0.413 nan 8.240 nan 0.000 0.445 907 I N 1.221 121.847 120.570 0.092 0.000 2.248 907 I HA -0.162 4.007 4.170 -0.002 0.000 0.248 907 I C 2.966 179.143 176.117 0.099 0.000 1.107 907 I CA 1.514 62.875 61.300 0.100 0.000 1.373 907 I CB -0.437 37.640 38.000 0.129 0.000 1.055 907 I HN 0.234 nan 8.210 nan 0.000 0.418 908 E N 0.333 120.592 120.200 0.099 0.000 2.107 908 E HA -0.136 4.213 4.350 -0.002 0.000 0.191 908 E C 2.165 178.876 176.600 0.184 0.000 0.982 908 E CA 1.061 57.556 56.400 0.157 0.000 0.809 908 E CB -0.186 29.576 29.700 0.103 0.000 0.756 908 E HN 0.381 nan 8.360 nan 0.000 0.459 909 M N -0.362 119.306 119.600 0.113 0.000 2.460 909 M HA -0.080 4.399 4.480 -0.002 0.000 0.263 909 M C 2.306 178.627 176.300 0.035 0.000 1.071 909 M CA 0.562 55.906 55.300 0.073 0.000 1.096 909 M CB -1.214 31.431 32.600 0.076 0.000 1.408 909 M HN 0.137 nan 8.290 nan 0.000 0.463 910 C N 0.472 119.803 119.300 0.051 0.000 2.576 910 C HA -0.044 4.415 4.460 -0.002 0.000 0.281 910 C C 2.679 177.673 174.990 0.007 0.000 1.292 910 C CA 0.877 59.910 59.018 0.024 0.000 1.697 910 C CB -0.929 26.830 27.740 0.031 0.000 2.109 910 C HN 0.580 nan 8.230 nan 0.000 0.497 911 N N 1.330 120.064 118.700 0.056 0.000 2.104 911 N HA -0.114 4.625 4.740 -0.002 0.000 0.190 911 N C 1.635 177.124 175.510 -0.035 0.000 1.024 911 N CA 1.956 55.054 53.050 0.080 0.000 0.853 911 N CB -0.302 38.299 38.487 0.190 0.000 1.008 911 N HN 0.459 nan 8.380 nan 0.000 0.424 912 A N 0.043 122.759 122.820 -0.173 0.000 2.084 912 A HA -0.121 4.198 4.320 -0.002 0.000 0.221 912 A C 2.145 179.510 177.584 -0.365 0.000 1.161 912 A CA 1.165 52.779 52.037 -0.706 0.000 0.653 912 A CB -0.631 18.005 19.000 -0.607 0.000 0.802 912 A HN 0.404 nan 8.150 nan 0.000 0.457 913 L N -0.931 120.186 121.223 -0.177 0.000 2.249 913 L HA -0.012 4.327 4.340 -0.002 0.000 0.207 913 L C 1.416 178.228 176.870 -0.097 0.000 1.090 913 L CA 0.412 55.177 54.840 -0.124 0.000 0.802 913 L CB -0.457 41.552 42.059 -0.082 0.000 0.947 913 L HN 0.298 nan 8.230 nan 0.000 0.453 914 N N -0.234 118.427 118.700 -0.064 0.000 2.571 914 N HA -0.057 4.682 4.740 -0.002 0.000 0.189 914 N C 1.386 176.893 175.510 -0.005 0.000 1.154 914 N CA 0.605 53.642 53.050 -0.022 0.000 0.907 914 N CB 0.247 38.742 38.487 0.014 0.000 0.977 914 N HN 0.217 nan 8.380 nan 0.000 0.449 915 S N 0.289 115.954 115.700 -0.058 0.000 2.502 915 S HA 0.237 4.706 4.470 -0.002 0.000 0.215 915 S C 1.890 176.456 174.600 -0.058 0.000 1.009 915 S CA -0.360 57.810 58.200 -0.049 0.000 0.908 915 S CB 0.396 63.510 63.200 -0.143 0.000 0.801 915 S HN 0.210 nan 8.310 nan 0.000 0.505 916 L N 1.235 122.411 121.223 -0.078 0.000 2.263 916 L HA -0.014 4.325 4.340 -0.002 0.000 0.216 916 L C 0.979 177.823 176.870 -0.042 0.000 1.111 916 L CA 0.685 55.485 54.840 -0.067 0.000 0.773 916 L CB -0.072 41.933 42.059 -0.090 0.000 0.906 916 L HN 0.213 nan 8.230 nan 0.000 0.439 917 S N -2.029 113.653 115.700 -0.029 0.000 2.535 917 S HA 0.134 4.603 4.470 -0.002 0.000 0.272 917 S C 0.408 175.013 174.600 0.009 0.000 1.149 917 S CA -0.782 57.410 58.200 -0.013 0.000 0.888 917 S CB 1.757 64.945 63.200 -0.020 0.000 1.110 917 S HN 0.198 nan 8.310 nan 0.000 0.463 918 E N 2.184 122.396 120.200 0.020 0.000 2.047 918 E HA -0.048 4.301 4.350 -0.002 0.000 0.191 918 E C 0.278 176.904 176.600 0.043 0.000 0.987 918 E CA 1.163 57.586 56.400 0.039 0.000 0.799 918 E CB 0.029 29.755 29.700 0.043 0.000 0.752 918 E HN 0.603 nan 8.360 nan 0.000 0.449 919 N N 0.008 118.731 118.700 0.038 0.000 2.197 919 N HA 0.071 4.810 4.740 -0.002 0.000 0.228 919 N C -0.922 174.605 175.510 0.028 0.000 1.212 919 N CA 0.025 53.103 53.050 0.046 0.000 0.883 919 N CB 1.011 39.528 38.487 0.050 0.000 1.107 919 N HN 0.035 nan 8.380 nan 0.000 0.519 920 Q N 0.047 119.856 119.800 0.014 0.000 2.214 920 Q HA 0.323 4.662 4.340 -0.002 0.000 0.251 920 Q C 0.125 176.127 176.000 0.004 0.000 0.936 920 Q CA -0.245 55.560 55.803 0.002 0.000 0.894 920 Q CB 1.732 30.461 28.738 -0.014 0.000 1.252 920 Q HN 0.037 nan 8.270 nan 0.000 0.448 921 S N 0.547 116.251 115.700 0.007 0.000 2.617 921 S HA 0.277 4.746 4.470 -0.002 0.000 0.269 921 S C 1.160 175.735 174.600 -0.041 0.000 1.292 921 S CA -0.498 57.705 58.200 0.006 0.000 1.010 921 S CB 0.386 63.606 63.200 0.034 0.000 0.944 921 S HN 0.631 nan 8.310 nan 0.000 0.536 922 L N 2.826 124.014 121.223 -0.059 0.000 2.376 922 L HA -0.032 4.307 4.340 -0.002 0.000 0.219 922 L C 2.210 178.991 176.870 -0.148 0.000 1.133 922 L CA 0.804 55.570 54.840 -0.124 0.000 0.816 922 L CB -0.356 41.629 42.059 -0.123 0.000 0.933 922 L HN 0.809 nan 8.230 nan 0.000 0.449 923 M N -2.216 117.338 119.600 -0.076 0.000 2.595 923 M HA -0.045 4.434 4.480 -0.002 0.000 0.248 923 M C 2.037 178.309 176.300 -0.046 0.000 1.119 923 M CA 1.253 56.522 55.300 -0.051 0.000 1.079 923 M CB -0.205 32.392 32.600 -0.005 0.000 1.472 923 M HN 0.052 nan 8.290 nan 0.000 0.501 924 R N 0.418 120.884 120.500 -0.056 0.000 2.164 924 R HA 0.317 4.656 4.340 -0.002 0.000 0.198 924 R C 0.543 176.794 176.300 -0.083 0.000 1.028 924 R CA 0.166 56.240 56.100 -0.043 0.000 1.083 924 R CB 0.691 30.979 30.300 -0.021 0.000 1.026 924 R HN 0.316 nan 8.270 nan 0.000 0.514 925 M N 3.912 123.441 119.600 -0.118 0.000 3.157 925 M HA 0.319 4.798 4.480 -0.002 0.000 0.213 925 M C -2.460 173.670 176.300 -0.283 0.000 1.177 925 M CA -2.126 53.079 55.300 -0.158 0.000 1.109 925 M CB 1.579 34.115 32.600 -0.107 0.000 1.262 925 M HN -0.049 nan 8.290 nan 0.000 0.570 926 P HA 0.026 nan 4.420 nan 0.000 0.265 926 P C -2.103 174.696 177.300 -0.835 0.000 1.187 926 P CA -0.459 62.102 63.100 -0.899 0.000 0.766 926 P CB -0.050 30.717 31.700 -1.555 0.000 0.820 927 P HA -0.145 nan 4.420 nan 0.000 0.218 927 P C 0.916 178.100 177.300 -0.193 0.000 1.146 927 P CA 1.681 64.586 63.100 -0.325 0.000 0.813 927 P CB -0.505 31.095 31.700 -0.167 0.000 0.778 928 W N -1.010 120.276 121.300 -0.023 0.000 3.204 928 W HA 0.260 4.919 4.660 -0.002 0.000 0.249 928 W C 1.102 177.594 176.519 -0.044 0.000 1.322 928 W CA -0.287 57.036 57.345 -0.037 0.000 1.593 928 W CB -1.758 27.678 29.460 -0.040 0.000 1.122 928 W HN -0.330 nan 8.180 nan 0.000 0.710 929 V N 1.806 121.647 119.914 -0.122 0.000 3.141 929 V HA -0.146 3.973 4.120 -0.002 0.000 0.265 929 V C 0.628 176.716 176.094 -0.008 0.000 1.126 929 V CA 1.493 63.761 62.300 -0.054 0.000 1.141 929 V CB -0.916 30.832 31.823 -0.126 0.000 0.743 929 V HN 0.350 nan 8.190 nan 0.000 0.492 930 N N -0.208 118.491 118.700 -0.001 0.000 2.609 930 N HA 0.283 5.022 4.740 -0.002 0.000 0.268 930 N C 0.499 176.018 175.510 0.016 0.000 1.106 930 N CA -0.231 52.833 53.050 0.023 0.000 0.823 930 N CB 1.244 39.762 38.487 0.051 0.000 1.263 930 N HN 0.131 nan 8.380 nan 0.000 0.533 931 I N 1.372 121.880 120.570 -0.103 0.000 2.286 931 I HA -0.216 3.953 4.170 -0.002 0.000 0.248 931 I C 1.483 177.579 176.117 -0.035 0.000 1.115 931 I CA 1.260 62.465 61.300 -0.159 0.000 1.392 931 I CB 0.038 37.794 38.000 -0.406 0.000 1.065 931 I HN 0.542 nan 8.210 nan 0.000 0.418 932 W N 0.325 121.687 121.300 0.104 0.000 2.333 932 W HA -0.293 4.366 4.660 -0.002 0.000 0.316 932 W C 2.511 179.064 176.519 0.057 0.000 1.215 932 W CA -0.012 57.401 57.345 0.114 0.000 1.278 932 W CB -0.526 29.075 29.460 0.235 0.000 1.154 932 W HN 0.120 nan 8.180 nan 0.000 0.486 933 L N 0.879 122.275 121.223 0.288 0.000 2.010 933 L HA -0.283 4.056 4.340 -0.002 0.000 0.219 933 L C 2.109 179.041 176.870 0.104 0.000 1.077 933 L CA 1.998 56.909 54.840 0.118 0.000 0.773 933 L CB -1.342 40.740 42.059 0.039 0.000 0.892 933 L HN 0.069 nan 8.230 nan 0.000 0.436 934 L N -1.026 120.264 121.223 0.112 0.000 2.017 934 L HA -0.128 4.211 4.340 -0.002 0.000 0.208 934 L C 2.596 179.540 176.870 0.125 0.000 1.073 934 L CA 1.371 56.270 54.840 0.099 0.000 0.745 934 L CB -1.583 40.537 42.059 0.101 0.000 0.894 934 L HN 0.497 nan 8.230 nan 0.000 0.432 935 G N 0.078 108.991 108.800 0.188 0.000 2.469 935 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.219 935 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.219 935 G C 1.827 176.830 174.900 0.171 0.000 1.150 935 G CA 1.276 46.508 45.100 0.220 0.000 0.763 935 G HN 0.521 nan 8.290 nan 0.000 0.561 936 S N 0.784 116.581 115.700 0.161 0.000 2.357 936 S HA -0.033 4.436 4.470 -0.002 0.000 0.221 936 S C 2.356 176.997 174.600 0.069 0.000 1.031 936 S CA 1.043 59.294 58.200 0.085 0.000 0.982 936 S CB -0.491 62.735 63.200 0.042 0.000 0.853 936 S HN 0.347 nan 8.310 nan 0.000 0.458 937 I N 1.719 122.328 120.570 0.066 0.000 2.181 937 I HA -0.302 3.867 4.170 -0.002 0.000 0.247 937 I C 2.747 178.909 176.117 0.075 0.000 1.081 937 I CA 1.364 62.700 61.300 0.061 0.000 1.340 937 I CB -1.034 36.996 38.000 0.050 0.000 1.036 937 I HN 0.434 nan 8.210 nan 0.000 0.417 938 C N 0.333 119.677 119.300 0.073 0.000 2.413 938 C HA -0.185 4.274 4.460 -0.002 0.000 0.278 938 C C 2.801 177.838 174.990 0.078 0.000 1.224 938 C CA 0.874 59.930 59.018 0.063 0.000 1.732 938 C CB -1.086 26.687 27.740 0.056 0.000 2.050 938 C HN 0.566 nan 8.230 nan 0.000 0.463 939 L N 1.246 122.518 121.223 0.082 0.000 2.081 939 L HA -0.156 4.183 4.340 -0.002 0.000 0.212 939 L C 2.411 179.351 176.870 0.117 0.000 1.080 939 L CA 2.198 57.091 54.840 0.088 0.000 0.754 939 L CB -0.946 41.153 42.059 0.067 0.000 0.893 939 L HN 0.278 nan 8.230 nan 0.000 0.433 940 S N -1.149 114.616 115.700 0.108 0.000 2.368 940 S HA -0.110 4.359 4.470 -0.002 0.000 0.224 940 S C 1.901 176.640 174.600 0.232 0.000 1.029 940 S CA 1.518 59.799 58.200 0.136 0.000 0.988 940 S CB -0.202 63.050 63.200 0.087 0.000 0.838 940 S HN 0.410 nan 8.310 nan 0.000 0.462 941 M N 1.657 121.383 119.600 0.209 0.000 2.086 941 M HA -0.065 4.414 4.480 -0.002 0.000 0.261 941 M C 2.518 179.029 176.300 0.352 0.000 1.067 941 M CA 1.712 57.185 55.300 0.288 0.000 1.116 941 M CB -1.905 30.795 32.600 0.168 0.000 1.348 941 M HN 0.478 nan 8.290 nan 0.000 0.407 942 S N 0.123 115.950 115.700 0.212 0.000 2.400 942 S HA -0.113 4.356 4.470 -0.002 0.000 0.232 942 S C 2.074 176.862 174.600 0.314 0.000 1.025 942 S CA 1.008 59.332 58.200 0.207 0.000 0.993 942 S CB -0.904 62.364 63.200 0.114 0.000 0.808 942 S HN 0.492 nan 8.310 nan 0.000 0.478 943 L N 0.668 122.090 121.223 0.331 0.000 2.093 943 L HA -0.101 4.238 4.340 -0.002 0.000 0.208 943 L C 2.995 180.141 176.870 0.459 0.000 1.085 943 L CA 1.811 56.892 54.840 0.402 0.000 0.755 943 L CB -0.692 41.649 42.059 0.471 0.000 0.904 943 L HN 0.558 nan 8.230 nan 0.000 0.435 944 H N -0.207 119.103 119.070 0.400 0.000 2.353 944 H HA -0.188 4.367 4.556 -0.002 0.000 0.300 944 H C 1.597 177.088 175.328 0.271 0.000 1.090 944 H CA 1.443 57.693 56.048 0.337 0.000 1.327 944 H CB 0.023 30.007 29.762 0.370 0.000 1.383 944 H HN 0.248 nan 8.280 nan 0.000 0.508 945 F N 0.499 120.545 119.950 0.160 0.000 2.772 945 F HA -0.021 4.505 4.527 -0.002 0.000 0.302 945 F C 1.503 177.426 175.800 0.205 0.000 1.225 945 F CA -0.055 58.052 58.000 0.179 0.000 1.429 945 F CB 0.303 39.420 39.000 0.194 0.000 1.104 945 F HN 0.170 nan 8.300 nan 0.000 0.550 946 L N -0.235 121.118 121.223 0.217 0.000 2.717 946 L HA 0.267 4.606 4.340 -0.002 0.000 0.239 946 L C 1.549 178.439 176.870 0.033 0.000 1.086 946 L CA 0.644 55.581 54.840 0.160 0.000 0.897 946 L CB 0.046 42.213 42.059 0.180 0.000 1.214 946 L HN 0.175 nan 8.230 nan 0.000 0.508 947 I N -3.557 116.983 120.570 -0.050 0.000 3.812 947 I HA 0.132 4.301 4.170 -0.002 0.000 0.320 947 I C 0.844 176.903 176.117 -0.096 0.000 1.276 947 I CA 0.486 61.751 61.300 -0.058 0.000 1.164 947 I CB 0.004 37.938 38.000 -0.111 0.000 1.009 947 I HN 0.105 nan 8.210 nan 0.000 0.431 948 L N -0.841 120.242 121.223 -0.232 0.000 2.614 948 L HA 0.181 4.520 4.340 -0.002 0.000 0.185 948 L C 1.937 178.533 176.870 -0.457 0.000 1.098 948 L CA 0.360 54.932 54.840 -0.447 0.000 0.852 948 L CB -0.585 40.997 42.059 -0.795 0.000 1.213 948 L HN 0.061 nan 8.230 nan 0.000 0.491 949 Y N 0.371 120.645 120.300 -0.043 0.000 2.420 949 Y HA 0.051 4.600 4.550 -0.002 0.000 0.292 949 Y C 1.522 177.426 175.900 0.007 0.000 1.119 949 Y CA -0.139 57.963 58.100 0.002 0.000 1.229 949 Y CB -0.418 38.071 38.460 0.049 0.000 1.026 949 Y HN -0.174 nan 8.280 nan 0.000 0.554 950 V N 0.717 120.698 119.914 0.112 0.000 3.681 950 V HA -0.170 3.949 4.120 -0.002 0.000 0.298 950 V C 1.143 177.249 176.094 0.020 0.000 1.097 950 V CA 1.002 63.341 62.300 0.065 0.000 1.125 950 V CB 0.742 32.587 31.823 0.037 0.000 1.140 950 V HN 0.212 nan 8.190 nan 0.000 0.476 951 D N -0.338 120.065 120.400 0.004 0.000 2.735 951 D HA 0.115 4.754 4.640 -0.002 0.000 0.267 951 D C -0.882 175.389 176.300 -0.048 0.000 1.081 951 D CA 0.541 54.531 54.000 -0.017 0.000 0.980 951 D CB -0.603 40.194 40.800 -0.006 0.000 1.129 951 D HN 0.408 nan 8.370 nan 0.000 0.459 952 P HA -0.124 nan 4.420 nan 0.000 0.215 952 P C 1.499 178.719 177.300 -0.133 0.000 1.157 952 P CA 1.145 64.198 63.100 -0.078 0.000 0.874 952 P CB -0.037 31.625 31.700 -0.063 0.000 0.790 953 L N -1.022 120.116 121.223 -0.140 0.000 2.013 953 L HA -0.152 4.187 4.340 -0.002 0.000 0.212 953 L C -0.260 176.468 176.870 -0.236 0.000 1.073 953 L CA 2.158 56.864 54.840 -0.225 0.000 0.753 953 L CB -2.549 39.422 42.059 -0.147 0.000 0.890 953 L HN 0.042 nan 8.230 nan 0.000 0.432 954 P HA -0.238 nan 4.420 nan 0.000 0.216 954 P C 1.859 179.118 177.300 -0.068 0.000 1.150 954 P CA 1.655 64.725 63.100 -0.049 0.000 0.843 954 P CB -0.042 31.607 31.700 -0.085 0.000 0.787 955 M N -0.947 118.577 119.600 -0.128 0.000 2.175 955 M HA -0.099 4.380 4.480 -0.002 0.000 0.264 955 M C 1.582 177.773 176.300 -0.182 0.000 1.063 955 M CA 1.740 56.968 55.300 -0.121 0.000 1.119 955 M CB -0.516 32.018 32.600 -0.109 0.000 1.377 955 M HN -0.177 nan 8.290 nan 0.000 0.415 956 I N 1.675 122.020 120.570 -0.374 0.000 3.055 956 I HA -0.179 3.990 4.170 -0.002 0.000 0.277 956 I C -0.573 175.177 176.117 -0.612 0.000 1.306 956 I CA 0.306 61.252 61.300 -0.589 0.000 1.426 956 I CB -1.063 36.396 38.000 -0.902 0.000 1.081 956 I HN 0.336 nan 8.210 nan 0.000 0.502 957 F N -1.794 118.108 119.950 -0.079 0.000 2.798 957 F HA 0.366 4.892 4.527 -0.002 0.000 0.325 957 F C -0.320 175.406 175.800 -0.124 0.000 1.117 957 F CA -2.512 55.439 58.000 -0.082 0.000 0.934 957 F CB -0.373 38.588 39.000 -0.065 0.000 1.284 957 F HN -0.040 nan 8.300 nan 0.000 0.468 958 K N -0.341 120.129 120.400 0.116 0.000 1.394 958 K HA -0.076 4.243 4.320 -0.002 0.000 0.710 958 K C -0.626 175.925 176.600 -0.081 0.000 1.860 958 K CA 1.196 57.449 56.287 -0.055 0.000 1.178 958 K CB -0.963 31.456 32.500 -0.136 0.000 2.111 958 K HN 0.767 nan 8.250 nan 0.000 0.526 959 L N 0.121 121.241 121.223 -0.172 0.000 3.785 959 L HA 0.414 4.753 4.340 -0.002 0.000 0.203 959 L C -0.826 175.892 176.870 -0.254 0.000 1.234 959 L CA 1.070 55.801 54.840 -0.180 0.000 1.539 959 L CB 0.212 42.163 42.059 -0.179 0.000 1.841 959 L HN 0.795 nan 8.230 nan 0.000 0.835 960 K N -0.488 119.752 120.400 -0.267 0.000 2.367 960 K HA 0.847 5.166 4.320 -0.002 0.000 0.272 960 K C -1.668 174.791 176.600 -0.236 0.000 1.046 960 K CA -0.571 55.523 56.287 -0.321 0.000 0.895 960 K CB 1.546 33.886 32.500 -0.266 0.000 1.512 960 K HN 0.288 nan 8.250 nan 0.000 0.433 961 A N 0.886 123.635 122.820 -0.119 0.000 2.398 961 A HA 0.495 4.814 4.320 -0.002 0.000 0.301 961 A C -1.437 176.271 177.584 0.206 0.000 1.041 961 A CA -0.769 51.211 52.037 -0.094 0.000 0.711 961 A CB 1.279 19.960 19.000 -0.532 0.000 1.240 961 A HN 0.583 nan 8.150 nan 0.000 0.420 962 L N 3.057 124.380 121.223 0.167 0.000 2.530 962 L HA 0.176 4.515 4.340 -0.002 0.000 0.273 962 L C 1.157 178.289 176.870 0.436 0.000 1.141 962 L CA 0.643 55.640 54.840 0.261 0.000 0.905 962 L CB -0.383 41.794 42.059 0.195 0.000 1.202 962 L HN 0.916 nan 8.230 nan 0.000 0.473 963 D N 3.528 124.214 120.400 0.476 0.000 2.565 963 D HA -0.292 4.347 4.640 -0.002 0.000 0.189 963 D C 0.303 176.865 176.300 0.437 0.000 1.052 963 D CA 2.041 56.314 54.000 0.455 0.000 0.889 963 D CB -0.435 40.507 40.800 0.237 0.000 0.911 963 D HN 0.474 nan 8.370 nan 0.000 0.464 964 L N -1.983 119.432 121.223 0.320 0.000 2.256 964 L HA 0.387 4.726 4.340 -0.002 0.000 0.261 964 L C 1.399 178.421 176.870 0.254 0.000 1.022 964 L CA -0.234 54.766 54.840 0.268 0.000 0.828 964 L CB 1.858 44.024 42.059 0.179 0.000 1.374 964 L HN 0.302 nan 8.230 nan 0.000 0.436 965 T N -3.755 110.930 114.554 0.218 0.000 11.905 965 T HA -0.400 3.949 4.350 -0.002 0.000 0.415 965 T C 1.043 175.907 174.700 0.272 0.000 1.473 965 T CA 2.118 64.350 62.100 0.222 0.000 2.431 965 T CB -1.046 67.956 68.868 0.223 0.000 2.843 965 T HN 0.739 nan 8.240 nan 0.000 0.889 966 Q N -0.511 119.456 119.800 0.278 0.000 2.165 966 Q HA 0.198 4.537 4.340 -0.002 0.000 0.197 966 Q C 2.038 178.083 176.000 0.075 0.000 0.952 966 Q CA 1.352 57.298 55.803 0.238 0.000 0.848 966 Q CB -0.081 28.754 28.738 0.162 0.000 0.931 966 Q HN 0.792 nan 8.270 nan 0.000 0.470 967 W N 0.953 122.349 121.300 0.161 0.000 2.453 967 W HA 0.026 4.685 4.660 -0.002 0.000 0.289 967 W C 1.862 178.442 176.519 0.102 0.000 1.215 967 W CA 0.411 57.844 57.345 0.147 0.000 1.297 967 W CB 0.076 29.650 29.460 0.189 0.000 1.113 967 W HN 0.053 nan 8.180 nan 0.000 0.551 968 L N -0.420 120.994 121.223 0.318 0.000 2.131 968 L HA -0.246 4.092 4.340 -0.002 0.000 0.210 968 L C 2.356 179.269 176.870 0.073 0.000 1.092 968 L CA 0.843 55.794 54.840 0.185 0.000 0.759 968 L CB -0.680 41.469 42.059 0.149 0.000 0.903 968 L HN 0.078 nan 8.230 nan 0.000 0.435 969 M N -0.078 119.519 119.600 -0.005 0.000 2.066 969 M HA -0.156 4.323 4.480 -0.002 0.000 0.259 969 M C 2.222 178.434 176.300 -0.146 0.000 1.074 969 M CA 1.836 56.996 55.300 -0.233 0.000 1.114 969 M CB -0.545 31.713 32.600 -0.570 0.000 1.306 969 M HN -0.074 nan 8.290 nan 0.000 0.411 970 V N 0.738 120.608 119.914 -0.073 0.000 2.257 970 V HA -0.389 3.730 4.120 -0.002 0.000 0.257 970 V C 2.498 178.630 176.094 0.064 0.000 1.077 970 V CA 2.528 64.825 62.300 -0.006 0.000 1.063 970 V CB -1.115 30.740 31.823 0.052 0.000 0.664 970 V HN 0.601 nan 8.190 nan 0.000 0.450 971 L N 0.071 121.368 121.223 0.123 0.000 2.017 971 L HA -0.194 4.145 4.340 -0.002 0.000 0.208 971 L C 2.420 179.326 176.870 0.061 0.000 1.073 971 L CA 2.173 57.083 54.840 0.116 0.000 0.745 971 L CB -0.754 41.389 42.059 0.140 0.000 0.894 971 L HN 0.485 nan 8.230 nan 0.000 0.432 972 K N -0.052 120.360 120.400 0.020 0.000 2.589 972 K HA 0.015 4.334 4.320 -0.002 0.000 0.192 972 K C 1.342 177.938 176.600 -0.006 0.000 1.029 972 K CA 0.866 57.152 56.287 -0.001 0.000 1.031 972 K CB -0.017 32.464 32.500 -0.033 0.000 0.821 972 K HN 0.377 nan 8.250 nan 0.000 0.502 973 I N 0.437 121.010 120.570 0.006 0.000 3.366 973 I HA -0.122 4.047 4.170 -0.002 0.000 0.267 973 I C 2.163 178.368 176.117 0.147 0.000 1.149 973 I CA 0.392 61.709 61.300 0.028 0.000 1.436 973 I CB 0.069 38.044 38.000 -0.042 0.000 1.379 973 I HN 0.268 nan 8.210 nan 0.000 0.460 974 S N 2.011 117.785 115.700 0.124 0.000 2.311 974 S HA -0.059 4.410 4.470 -0.002 0.000 0.209 974 S C 2.040 176.700 174.600 0.100 0.000 1.029 974 S CA 0.568 58.862 58.200 0.157 0.000 0.968 974 S CB -1.138 62.136 63.200 0.124 0.000 0.946 974 S HN 0.271 nan 8.310 nan 0.000 0.450 975 L N 2.198 123.463 121.223 0.070 0.000 2.195 975 L HA -0.197 4.142 4.340 -0.002 0.000 0.225 975 L C -0.587 176.276 176.870 -0.012 0.000 1.096 975 L CA 2.004 56.863 54.840 0.032 0.000 0.814 975 L CB -2.136 39.947 42.059 0.041 0.000 0.901 975 L HN 0.306 nan 8.230 nan 0.000 0.446 976 P HA -0.174 nan 4.420 nan 0.000 0.217 976 P C 1.828 179.000 177.300 -0.212 0.000 1.148 976 P CA 1.263 64.327 63.100 -0.060 0.000 0.834 976 P CB -0.035 31.680 31.700 0.025 0.000 0.783 977 V N -0.025 119.691 119.914 -0.331 0.000 2.250 977 V HA -0.301 3.817 4.120 -0.002 0.000 0.250 977 V C 2.334 178.291 176.094 -0.229 0.000 1.060 977 V CA 1.907 63.933 62.300 -0.457 0.000 1.030 977 V CB -1.312 30.334 31.823 -0.296 0.000 0.643 977 V HN 0.111 nan 8.190 nan 0.000 0.445 978 I N 0.894 121.389 120.570 -0.124 0.000 2.145 978 I HA -0.274 3.895 4.170 -0.002 0.000 0.244 978 I C 2.621 178.697 176.117 -0.067 0.000 1.075 978 I CA 2.029 63.286 61.300 -0.072 0.000 1.332 978 I CB -1.205 36.769 38.000 -0.043 0.000 1.033 978 I HN 0.461 nan 8.210 nan 0.000 0.410 979 G N 1.130 109.885 108.800 -0.076 0.000 2.418 979 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.217 979 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.217 979 G C 1.647 176.513 174.900 -0.058 0.000 1.158 979 G CA 0.598 45.664 45.100 -0.055 0.000 0.771 979 G HN 0.276 nan 8.290 nan 0.000 0.545 980 L N 0.996 122.149 121.223 -0.117 0.000 2.042 980 L HA -0.059 4.280 4.340 -0.002 0.000 0.210 980 L C 2.060 178.895 176.870 -0.059 0.000 1.076 980 L CA 2.576 57.349 54.840 -0.111 0.000 0.749 980 L CB -0.760 41.152 42.059 -0.245 0.000 0.893 980 L HN 0.216 nan 8.230 nan 0.000 0.432 981 D N -0.991 119.368 120.400 -0.068 0.000 2.077 981 D HA -0.165 4.474 4.640 -0.002 0.000 0.196 981 D C 2.050 178.370 176.300 0.033 0.000 0.986 981 D CA 1.046 55.031 54.000 -0.026 0.000 0.829 981 D CB 0.026 40.810 40.800 -0.027 0.000 0.983 981 D HN 0.276 nan 8.370 nan 0.000 0.453 982 E N 0.231 120.447 120.200 0.027 0.000 2.136 982 E HA -0.210 4.139 4.350 -0.002 0.000 0.202 982 E C 2.414 179.092 176.600 0.131 0.000 1.019 982 E CA 0.726 57.166 56.400 0.066 0.000 0.819 982 E CB -0.399 29.319 29.700 0.030 0.000 0.739 982 E HN 0.486 nan 8.360 nan 0.000 0.458 983 I N 0.529 121.160 120.570 0.101 0.000 2.142 983 I HA -0.294 3.874 4.170 -0.002 0.000 0.240 983 I C 2.503 178.788 176.117 0.280 0.000 1.078 983 I CA 1.003 62.394 61.300 0.152 0.000 1.343 983 I CB -0.314 37.741 38.000 0.091 0.000 1.046 983 I HN 0.057 nan 8.210 nan 0.000 0.405 984 L N 0.245 121.615 121.223 0.245 0.000 2.141 984 L HA -0.186 4.153 4.340 -0.002 0.000 0.209 984 L C 2.525 179.648 176.870 0.423 0.000 1.094 984 L CA 1.291 56.356 54.840 0.375 0.000 0.763 984 L CB -0.538 41.624 42.059 0.172 0.000 0.908 984 L HN 0.176 nan 8.230 nan 0.000 0.437 985 K N -0.311 120.246 120.400 0.263 0.000 2.057 985 K HA -0.190 4.129 4.320 -0.002 0.000 0.206 985 K C 2.050 178.775 176.600 0.208 0.000 1.050 985 K CA 1.391 57.807 56.287 0.214 0.000 0.935 985 K CB -0.264 32.316 32.500 0.133 0.000 0.715 985 K HN 0.093 nan 8.250 nan 0.000 0.439 986 F N 1.969 121.980 119.950 0.102 0.000 2.307 986 F HA -0.171 4.355 4.527 -0.002 0.000 0.301 986 F C 1.365 177.201 175.800 0.061 0.000 1.076 986 F CA 0.891 58.931 58.000 0.066 0.000 1.383 986 F CB 0.035 39.068 39.000 0.055 0.000 1.055 986 F HN -0.060 nan 8.300 nan 0.000 0.526 987 I N 0.673 121.313 120.570 0.116 0.000 3.241 987 I HA -0.105 4.064 4.170 -0.002 0.000 0.280 987 I C 2.219 178.205 176.117 -0.219 0.000 1.320 987 I CA 0.933 62.195 61.300 -0.062 0.000 1.413 987 I CB -2.444 35.569 38.000 0.021 0.000 1.060 987 I HN 0.266 nan 8.210 nan 0.000 0.500 988 A N 0.366 123.082 122.820 -0.174 0.000 2.251 988 A HA 0.050 4.369 4.320 -0.002 0.000 0.209 988 A C 2.351 179.787 177.584 -0.247 0.000 1.187 988 A CA 0.353 52.300 52.037 -0.149 0.000 0.823 988 A CB -0.180 18.781 19.000 -0.065 0.000 0.846 988 A HN 0.311 nan 8.150 nan 0.000 0.486 989 R N -0.870 119.385 120.500 -0.408 0.000 2.167 989 R HA 0.130 4.469 4.340 -0.002 0.000 0.195 989 R C 0.381 176.486 176.300 -0.324 0.000 1.027 989 R CA 0.139 55.982 56.100 -0.427 0.000 1.114 989 R CB 0.001 29.888 30.300 -0.688 0.000 1.075 989 R HN 0.286 nan 8.270 nan 0.000 0.538 990 N N 0.786 119.290 118.700 -0.326 0.000 2.530 990 N HA -0.077 4.662 4.740 -0.002 0.000 0.216 990 N C -1.239 174.230 175.510 -0.068 0.000 1.315 990 N CA 0.748 53.705 53.050 -0.156 0.000 0.858 990 N CB 0.217 38.648 38.487 -0.092 0.000 1.138 990 N HN 0.155 nan 8.380 nan 0.000 0.473 991 Y N -0.081 120.066 120.300 -0.254 0.000 2.101 991 Y HA 0.082 4.631 4.550 -0.002 0.000 0.312 991 Y C -1.797 173.981 175.900 -0.204 0.000 1.256 991 Y CA -1.004 56.956 58.100 -0.234 0.000 1.540 991 Y CB -0.258 38.013 38.460 -0.314 0.000 1.304 991 Y HN -0.123 nan 8.280 nan 0.000 0.375 992 L N 6.442 127.266 121.223 -0.664 0.000 2.363 992 L HA 0.451 4.790 4.340 -0.002 0.000 0.286 992 L C 0.188 176.735 176.870 -0.538 0.000 1.106 992 L CA 1.099 55.653 54.840 -0.476 0.000 0.859 992 L CB 0.091 41.955 42.059 -0.325 0.000 1.223 992 L HN 0.751 nan 8.230 nan 0.000 0.446 993 E N 2.918 122.909 120.200 -0.348 0.000 3.640 993 E HA 0.181 4.530 4.350 -0.002 0.000 0.157 993 E C 0.399 176.949 176.600 -0.083 0.000 0.974 993 E CA -0.094 56.191 56.400 -0.192 0.000 1.465 993 E CB 0.407 30.055 29.700 -0.085 0.000 1.098 993 E HN 0.785 nan 8.360 nan 0.000 0.414 994 G N 0.000 108.741 108.800 -0.099 0.000 5.446 994 G HA2 0.000 3.959 3.960 -0.002 0.000 0.244 994 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 994 G CA 0.000 45.066 45.100 -0.057 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925