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 1t5s_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 0.000 176.349 176.300 0.082 0.000 1.140 1 M CA 0.000 55.334 55.300 0.057 0.000 0.988 1 M CB 0.000 32.747 32.600 0.245 0.000 1.302 2 E N 3.102 123.293 120.200 -0.015 0.000 2.294 2 E HA 0.495 4.856 4.350 0.019 0.000 0.272 2 E C -0.127 176.403 176.600 -0.117 0.000 0.896 2 E CA 0.225 56.492 56.400 -0.221 0.000 0.802 2 E CB 2.195 31.789 29.700 -0.176 0.000 1.267 2 E HN 0.877 nan 8.360 nan 0.000 0.406 3 A N 2.566 125.300 122.820 -0.143 0.000 2.015 3 A HA 0.127 4.459 4.320 0.019 0.000 0.219 3 A C 0.990 178.524 177.584 -0.083 0.000 1.163 3 A CA 1.476 53.473 52.037 -0.068 0.000 0.646 3 A CB 0.170 19.131 19.000 -0.065 0.000 0.806 3 A HN 0.420 nan 8.150 nan 0.000 0.448 4 A N -0.263 122.453 122.820 -0.173 0.000 2.317 4 A HA 0.590 4.921 4.320 0.019 0.000 0.327 4 A C 0.468 177.941 177.584 -0.184 0.000 1.178 4 A CA -0.194 51.671 52.037 -0.288 0.000 0.817 4 A CB 0.371 19.200 19.000 -0.285 0.000 1.189 4 A HN 0.568 nan 8.150 nan 0.000 0.489 5 H N 0.738 119.790 119.070 -0.030 0.000 2.755 5 H HA 0.124 4.692 4.556 0.019 0.000 0.273 5 H C 0.874 176.196 175.328 -0.009 0.000 1.055 5 H CA 0.886 56.919 56.048 -0.025 0.000 1.191 5 H CB -0.035 29.720 29.762 -0.012 0.000 1.536 5 H HN 0.625 nan 8.280 nan 0.000 0.529 6 S N 0.129 115.604 115.700 -0.376 0.000 2.540 6 S HA 0.192 4.673 4.470 0.019 0.000 0.218 6 S C 0.589 175.122 174.600 -0.111 0.000 0.977 6 S CA -0.550 57.534 58.200 -0.192 0.000 0.918 6 S CB 0.442 63.473 63.200 -0.283 0.000 0.806 6 S HN 0.147 nan 8.310 nan 0.000 0.496 7 K N 2.245 122.575 120.400 -0.118 0.000 2.087 7 K HA 0.482 4.814 4.320 0.019 0.000 0.255 7 K C 0.370 176.954 176.600 -0.028 0.000 0.988 7 K CA -0.323 55.921 56.287 -0.071 0.000 0.915 7 K CB 1.313 33.756 32.500 -0.094 0.000 1.043 7 K HN 0.369 nan 8.250 nan 0.000 0.457 8 S N -0.684 115.010 115.700 -0.009 0.000 2.661 8 S HA 0.028 4.510 4.470 0.019 0.000 0.265 8 S C 1.472 176.084 174.600 0.020 0.000 1.225 8 S CA 0.025 58.231 58.200 0.011 0.000 0.986 8 S CB 1.005 64.212 63.200 0.012 0.000 1.008 8 S HN 0.748 nan 8.310 nan 0.000 0.565 9 T N -1.589 112.981 114.554 0.028 0.000 2.708 9 T HA -0.130 4.232 4.350 0.019 0.000 0.266 9 T C 1.589 176.313 174.700 0.040 0.000 1.037 9 T CA 1.295 63.416 62.100 0.034 0.000 1.146 9 T CB -0.795 68.091 68.868 0.030 0.000 0.865 9 T HN 0.617 nan 8.240 nan 0.000 0.435 10 E N 1.624 121.844 120.200 0.033 0.000 2.038 10 E HA -0.175 4.186 4.350 0.019 0.000 0.195 10 E C 2.271 178.900 176.600 0.049 0.000 1.000 10 E CA 1.601 58.023 56.400 0.037 0.000 0.803 10 E CB -0.388 29.327 29.700 0.026 0.000 0.750 10 E HN 0.723 nan 8.360 nan 0.000 0.448 11 E N -0.503 119.719 120.200 0.038 0.000 2.171 11 E HA -0.207 4.154 4.350 0.019 0.000 0.197 11 E C 2.270 178.911 176.600 0.069 0.000 0.997 11 E CA 1.308 57.733 56.400 0.041 0.000 0.810 11 E CB -0.134 29.573 29.700 0.012 0.000 0.738 11 E HN 0.329 nan 8.360 nan 0.000 0.467 12 C N 0.191 119.536 119.300 0.075 0.000 2.457 12 C HA -0.035 4.437 4.460 0.019 0.000 0.278 12 C C 2.518 177.675 174.990 0.278 0.000 1.309 12 C CA 0.172 59.273 59.018 0.139 0.000 1.735 12 C CB -0.807 27.009 27.740 0.127 0.000 1.992 12 C HN 0.392 nan 8.230 nan 0.000 0.493 13 L N 1.332 122.671 121.223 0.193 0.000 2.046 13 L HA -0.133 4.219 4.340 0.019 0.000 0.208 13 L C 2.883 179.865 176.870 0.188 0.000 1.077 13 L CA 1.678 56.633 54.840 0.192 0.000 0.747 13 L CB -0.807 41.315 42.059 0.104 0.000 0.896 13 L HN 0.326 nan 8.230 nan 0.000 0.432 14 A N -0.741 122.160 122.820 0.135 0.000 1.897 14 A HA -0.260 4.072 4.320 0.019 0.000 0.215 14 A C 2.213 179.848 177.584 0.085 0.000 1.181 14 A CA 1.208 53.300 52.037 0.093 0.000 0.620 14 A CB -0.895 18.142 19.000 0.062 0.000 0.821 14 A HN 0.452 nan 8.150 nan 0.000 0.443 15 Y N -0.566 119.698 120.300 -0.060 0.000 2.151 15 Y HA -0.264 4.298 4.550 0.020 0.000 0.284 15 Y C 1.600 177.361 175.900 -0.232 0.000 1.166 15 Y CA 2.251 60.224 58.100 -0.212 0.000 1.163 15 Y CB -0.306 37.918 38.460 -0.393 0.000 0.974 15 Y HN 0.292 nan 8.280 nan 0.000 0.511 16 F N -0.318 119.752 119.950 0.200 0.000 2.727 16 F HA 0.287 4.826 4.527 0.019 0.000 0.302 16 F C 1.583 177.438 175.800 0.091 0.000 1.097 16 F CA 0.339 58.435 58.000 0.160 0.000 1.330 16 F CB 0.170 39.315 39.000 0.243 0.000 1.084 16 F HN 0.085 nan 8.300 nan 0.000 0.578 17 G N 2.153 111.070 108.800 0.196 0.000 2.351 17 G HA2 -0.124 3.848 3.960 0.019 0.000 0.297 17 G HA3 -0.124 3.848 3.960 0.019 0.000 0.297 17 G C -0.399 174.572 174.900 0.119 0.000 1.054 17 G CA 0.293 45.464 45.100 0.118 0.000 1.123 17 G HN 0.567 nan 8.290 nan 0.000 0.512 18 V N -2.576 117.414 119.914 0.127 0.000 2.656 18 V HA 0.896 5.027 4.120 0.019 0.000 0.307 18 V C 0.288 176.412 176.094 0.050 0.000 1.051 18 V CA -0.471 61.876 62.300 0.078 0.000 0.893 18 V CB 2.160 34.027 31.823 0.074 0.000 0.999 18 V HN 0.639 nan 8.190 nan 0.000 0.426 19 S N 3.135 118.847 115.700 0.020 0.000 2.481 19 S HA 0.185 4.667 4.470 0.019 0.000 0.276 19 S C 0.994 175.582 174.600 -0.020 0.000 1.247 19 S CA 0.349 58.549 58.200 0.000 0.000 1.053 19 S CB 1.068 64.263 63.200 -0.008 0.000 0.925 19 S HN 1.055 nan 8.310 nan 0.000 0.491 20 E N 2.895 123.080 120.200 -0.026 0.000 2.065 20 E HA -0.237 4.125 4.350 0.019 0.000 0.201 20 E C 1.662 178.189 176.600 -0.123 0.000 1.016 20 E CA 1.968 58.339 56.400 -0.050 0.000 0.818 20 E CB -0.054 29.621 29.700 -0.041 0.000 0.749 20 E HN 0.806 nan 8.360 nan 0.000 0.453 21 T N -2.995 111.465 114.554 -0.157 0.000 3.107 21 T HA 0.035 4.396 4.350 0.019 0.000 0.249 21 T C 1.598 176.117 174.700 -0.302 0.000 1.096 21 T CA 0.859 62.773 62.100 -0.310 0.000 1.012 21 T CB 0.399 69.112 68.868 -0.259 0.000 0.977 21 T HN 0.202 nan 8.240 nan 0.000 0.527 22 T N -0.621 113.856 114.554 -0.129 0.000 3.000 22 T HA 0.497 4.859 4.350 0.019 0.000 0.248 22 T C 1.233 175.948 174.700 0.025 0.000 1.034 22 T CA 0.923 63.001 62.100 -0.037 0.000 1.060 22 T CB -0.435 68.424 68.868 -0.014 0.000 0.983 22 T HN 1.082 nan 8.240 nan 0.000 0.482 23 G N 1.890 110.693 108.800 0.005 0.000 2.846 23 G HA2 -0.033 3.938 3.960 0.019 0.000 0.660 23 G HA3 -0.033 3.938 3.960 0.019 0.000 0.660 23 G C -0.768 174.126 174.900 -0.011 0.000 1.464 23 G CA -0.579 44.530 45.100 0.014 0.000 0.891 23 G HN 0.569 nan 8.290 nan 0.000 0.552 24 L N 1.143 122.337 121.223 -0.049 0.000 2.573 24 L HA 0.312 4.664 4.340 0.019 0.000 0.290 24 L C 2.049 178.890 176.870 -0.049 0.000 1.247 24 L CA 1.009 55.799 54.840 -0.083 0.000 0.876 24 L CB -0.295 41.666 42.059 -0.163 0.000 1.123 24 L HN 1.182 nan 8.230 nan 0.000 0.505 25 T N 0.917 115.445 114.554 -0.043 0.000 2.828 25 T HA 0.294 4.656 4.350 0.019 0.000 0.290 25 T C -1.757 172.928 174.700 -0.026 0.000 1.019 25 T CA -1.493 60.595 62.100 -0.021 0.000 1.031 25 T CB 0.753 69.616 68.868 -0.008 0.000 1.001 25 T HN 0.463 nan 8.240 nan 0.000 0.531 26 P HA -0.063 nan 4.420 nan 0.000 0.216 26 P C 1.059 178.358 177.300 -0.001 0.000 1.150 26 P CA 1.001 64.097 63.100 -0.006 0.000 0.837 26 P CB 0.001 31.702 31.700 0.002 0.000 0.786 27 D N -1.092 119.311 120.400 0.005 0.000 2.144 27 D HA -0.154 4.498 4.640 0.019 0.000 0.200 27 D C 2.037 178.355 176.300 0.030 0.000 0.978 27 D CA 1.116 55.126 54.000 0.018 0.000 0.833 27 D CB -0.339 40.473 40.800 0.020 0.000 0.961 27 D HN 0.122 nan 8.370 nan 0.000 0.470 28 Q N -0.472 119.331 119.800 0.005 0.000 2.084 28 Q HA -0.106 4.245 4.340 0.019 0.000 0.202 28 Q C 2.291 178.260 176.000 -0.052 0.000 0.978 28 Q CA 1.046 56.839 55.803 -0.017 0.000 0.844 28 Q CB 0.083 28.746 28.738 -0.125 0.000 0.898 28 Q HN 0.222 nan 8.270 nan 0.000 0.426 29 V N 1.006 120.876 119.914 -0.073 0.000 2.407 29 V HA -0.271 3.861 4.120 0.019 0.000 0.248 29 V C 2.193 178.310 176.094 0.039 0.000 1.055 29 V CA 1.754 64.028 62.300 -0.044 0.000 1.049 29 V CB -0.423 31.373 31.823 -0.045 0.000 0.662 29 V HN 0.295 nan 8.190 nan 0.000 0.455 30 K N -0.075 120.349 120.400 0.040 0.000 2.002 30 K HA -0.190 4.142 4.320 0.019 0.000 0.209 30 K C 2.451 179.089 176.600 0.065 0.000 1.048 30 K CA 1.524 57.835 56.287 0.040 0.000 0.930 30 K CB -0.165 32.352 32.500 0.030 0.000 0.714 30 K HN 0.262 nan 8.250 nan 0.000 0.438 31 R N -0.630 119.938 120.500 0.114 0.000 2.083 31 R HA -0.171 4.181 4.340 0.019 0.000 0.237 31 R C 2.297 178.665 176.300 0.112 0.000 1.137 31 R CA 2.035 58.205 56.100 0.116 0.000 0.951 31 R CB -0.337 30.074 30.300 0.184 0.000 0.851 31 R HN 0.372 nan 8.270 nan 0.000 0.434 32 H N 0.103 119.206 119.070 0.054 0.000 2.389 32 H HA -0.040 4.528 4.556 0.019 0.000 0.299 32 H C 1.972 177.379 175.328 0.132 0.000 1.081 32 H CA 1.140 57.297 56.048 0.181 0.000 1.345 32 H CB -0.223 29.692 29.762 0.254 0.000 1.393 32 H HN 0.114 nan 8.280 nan 0.000 0.520 33 L N 0.176 121.475 121.223 0.126 0.000 1.970 33 L HA -0.188 4.164 4.340 0.019 0.000 0.212 33 L C 2.513 179.359 176.870 -0.041 0.000 1.071 33 L CA 1.441 56.264 54.840 -0.028 0.000 0.751 33 L CB -0.390 41.583 42.059 -0.143 0.000 0.889 33 L HN 0.282 nan 8.230 nan 0.000 0.432 34 E N 0.374 120.547 120.200 -0.044 0.000 2.065 34 E HA -0.310 4.051 4.350 0.019 0.000 0.201 34 E C 2.156 178.680 176.600 -0.127 0.000 1.016 34 E CA 1.693 58.056 56.400 -0.063 0.000 0.818 34 E CB -0.181 29.488 29.700 -0.052 0.000 0.749 34 E HN 0.373 nan 8.360 nan 0.000 0.453 35 K N -0.535 119.714 120.400 -0.252 0.000 2.217 35 K HA -0.128 4.204 4.320 0.019 0.000 0.202 35 K C 1.183 177.445 176.600 -0.564 0.000 1.051 35 K CA 1.045 57.036 56.287 -0.492 0.000 0.952 35 K CB 0.111 32.133 32.500 -0.796 0.000 0.736 35 K HN 0.103 nan 8.250 nan 0.000 0.453 36 Y N -0.612 119.684 120.300 -0.006 0.000 2.453 36 Y HA 0.304 4.865 4.550 0.020 0.000 0.247 36 Y C 0.866 176.773 175.900 0.011 0.000 1.124 36 Y CA 0.020 58.129 58.100 0.015 0.000 1.243 36 Y CB 0.841 39.324 38.460 0.038 0.000 1.213 36 Y HN 0.210 nan 8.280 nan 0.000 0.523 37 G N 0.479 109.334 108.800 0.091 0.000 2.804 37 G HA2 -0.281 3.690 3.960 0.019 0.000 0.230 37 G HA3 -0.281 3.690 3.960 0.019 0.000 0.230 37 G C -0.852 174.058 174.900 0.018 0.000 1.386 37 G CA -0.507 44.632 45.100 0.064 0.000 0.875 37 G HN 0.436 nan 8.290 nan 0.000 0.557 38 H N -0.250 118.861 119.070 0.069 0.000 2.551 38 H HA 0.418 4.985 4.556 0.019 0.000 0.358 38 H C 0.979 176.337 175.328 0.049 0.000 1.151 38 H CA 0.421 56.501 56.048 0.054 0.000 1.374 38 H CB 0.808 30.590 29.762 0.032 0.000 1.473 38 H HN 0.620 nan 8.280 nan 0.000 0.574 39 N N 2.784 121.576 118.700 0.153 0.000 2.671 39 N HA 0.014 4.765 4.740 0.019 0.000 0.274 39 N C -1.231 174.328 175.510 0.082 0.000 1.188 39 N CA -0.202 52.902 53.050 0.090 0.000 1.065 39 N CB -0.269 38.249 38.487 0.052 0.000 1.415 39 N HN 0.740 nan 8.380 nan 0.000 0.511 40 E N 1.447 121.694 120.200 0.079 0.000 2.388 40 E HA 0.226 4.588 4.350 0.019 0.000 0.281 40 E C -1.399 175.229 176.600 0.047 0.000 1.046 40 E CA -0.885 55.546 56.400 0.052 0.000 0.825 40 E CB 0.506 30.231 29.700 0.042 0.000 1.243 40 E HN 0.096 nan 8.360 nan 0.000 0.438 41 L N 2.317 123.559 121.223 0.031 0.000 2.305 41 L HA 0.313 4.664 4.340 0.019 0.000 0.281 41 L C -1.489 175.393 176.870 0.020 0.000 1.085 41 L CA -1.691 53.165 54.840 0.026 0.000 0.813 41 L CB 0.680 42.750 42.059 0.018 0.000 1.157 41 L HN 0.590 nan 8.230 nan 0.000 0.436 42 P HA -0.090 nan 4.420 nan 0.000 0.214 42 P C 1.239 178.544 177.300 0.009 0.000 1.162 42 P CA 1.128 64.239 63.100 0.018 0.000 0.871 42 P CB 0.157 31.871 31.700 0.024 0.000 0.783 43 A N 0.532 123.357 122.820 0.009 0.000 2.818 43 A HA -0.462 3.870 4.320 0.019 0.000 0.286 43 A C 1.702 179.283 177.584 -0.005 0.000 2.020 43 A CA 3.624 55.663 52.037 0.002 0.000 1.039 43 A CB -1.984 17.016 19.000 0.001 0.000 0.577 43 A HN 0.411 nan 8.150 nan 0.000 0.390 44 E N -2.221 117.974 120.200 -0.009 0.000 4.074 44 E HA -0.296 4.066 4.350 0.019 0.000 0.282 44 E C 0.136 176.721 176.600 -0.025 0.000 0.675 44 E CA 1.787 58.178 56.400 -0.015 0.000 1.151 44 E CB -0.867 28.825 29.700 -0.013 0.000 1.639 44 E HN 0.801 nan 8.360 nan 0.000 0.409 45 E N -0.463 119.722 120.200 -0.025 0.000 2.202 45 E HA 0.455 4.816 4.350 0.019 0.000 0.272 45 E C -0.003 176.564 176.600 -0.056 0.000 0.951 45 E CA 0.049 56.428 56.400 -0.035 0.000 0.813 45 E CB 1.676 31.365 29.700 -0.017 0.000 1.151 45 E HN 0.399 nan 8.360 nan 0.000 0.398 46 G N 2.667 111.411 108.800 -0.093 0.000 2.686 46 G HA2 -0.264 3.707 3.960 0.019 0.000 0.211 46 G HA3 -0.264 3.707 3.960 0.019 0.000 0.211 46 G C 0.323 175.147 174.900 -0.126 0.000 0.829 46 G CA 0.668 45.683 45.100 -0.142 0.000 0.993 46 G HN 0.487 nan 8.290 nan 0.000 0.330 47 K N 0.594 120.900 120.400 -0.156 0.000 2.107 47 K HA 0.366 4.697 4.320 0.019 0.000 0.211 47 K C 1.268 177.788 176.600 -0.134 0.000 1.024 47 K CA 1.435 57.649 56.287 -0.121 0.000 0.953 47 K CB 0.289 32.723 32.500 -0.110 0.000 0.831 47 K HN 0.577 nan 8.250 nan 0.000 0.454 48 S N 1.481 117.072 115.700 -0.182 0.000 2.669 48 S HA 0.317 4.798 4.470 0.019 0.000 0.315 48 S C -1.335 173.100 174.600 -0.275 0.000 1.106 48 S CA -0.798 57.300 58.200 -0.169 0.000 1.107 48 S CB 1.032 64.164 63.200 -0.113 0.000 0.990 48 S HN 0.249 nan 8.310 nan 0.000 0.471 49 L N 4.583 125.670 121.223 -0.227 0.000 3.505 49 L HA -0.177 4.175 4.340 0.019 0.000 0.392 49 L C 1.348 178.193 176.870 -0.042 0.000 1.042 49 L CA 0.747 55.518 54.840 -0.116 0.000 0.788 49 L CB -0.663 41.421 42.059 0.043 0.000 1.235 49 L HN 0.846 nan 8.230 nan 0.000 0.694 50 W N 2.292 123.586 121.300 -0.009 0.000 2.244 50 W HA -0.365 4.307 4.660 0.020 0.000 0.336 50 W C 1.951 178.477 176.519 0.012 0.000 1.352 50 W CA 1.818 59.159 57.345 -0.007 0.000 1.343 50 W CB -0.416 29.036 29.460 -0.014 0.000 1.111 50 W HN 0.699 nan 8.180 nan 0.000 0.481 51 E N 0.137 120.513 120.200 0.293 0.000 2.038 51 E HA -0.224 4.138 4.350 0.019 0.000 0.195 51 E C 2.290 178.963 176.600 0.121 0.000 1.000 51 E CA 1.614 58.117 56.400 0.171 0.000 0.803 51 E CB -0.716 29.067 29.700 0.139 0.000 0.750 51 E HN 0.295 nan 8.360 nan 0.000 0.448 52 L N 0.499 121.775 121.223 0.088 0.000 2.010 52 L HA -0.290 4.061 4.340 0.019 0.000 0.219 52 L C 2.584 179.491 176.870 0.061 0.000 1.077 52 L CA 1.347 56.219 54.840 0.054 0.000 0.773 52 L CB -0.550 41.517 42.059 0.014 0.000 0.892 52 L HN 0.086 nan 8.230 nan 0.000 0.436 53 V N -0.590 119.355 119.914 0.052 0.000 2.358 53 V HA -0.280 3.852 4.120 0.019 0.000 0.246 53 V C 2.400 178.557 176.094 0.105 0.000 1.047 53 V CA 1.242 63.574 62.300 0.053 0.000 1.035 53 V CB -0.441 31.399 31.823 0.027 0.000 0.658 53 V HN 0.294 nan 8.190 nan 0.000 0.452 54 I N 0.631 121.289 120.570 0.147 0.000 2.145 54 I HA -0.258 3.923 4.170 0.019 0.000 0.244 54 I C 1.828 178.140 176.117 0.324 0.000 1.075 54 I CA 1.641 63.079 61.300 0.230 0.000 1.332 54 I CB -1.068 37.055 38.000 0.205 0.000 1.033 54 I HN 0.487 nan 8.210 nan 0.000 0.410 55 E N 1.241 121.575 120.200 0.225 0.000 2.888 55 E HA -0.086 4.275 4.350 0.019 0.000 0.271 55 E C 0.905 177.629 176.600 0.206 0.000 1.527 55 E CA -0.113 56.431 56.400 0.240 0.000 1.700 55 E CB -0.221 29.552 29.700 0.122 0.000 1.410 55 E HN 0.374 nan 8.360 nan 0.000 0.445 56 Q N 0.300 120.216 119.800 0.192 0.000 2.211 56 Q HA 0.133 4.485 4.340 0.019 0.000 0.231 56 Q C -0.399 175.590 176.000 -0.018 0.000 0.865 56 Q CA -0.204 55.638 55.803 0.064 0.000 0.997 56 Q CB 0.181 28.917 28.738 -0.004 0.000 1.101 56 Q HN 0.306 nan 8.270 nan 0.000 0.468 57 F N -0.027 119.937 119.950 0.023 0.000 2.299 57 F HA 0.064 4.602 4.527 0.019 0.000 0.293 57 F C 1.674 177.483 175.800 0.015 0.000 1.252 57 F CA 0.078 58.091 58.000 0.021 0.000 1.160 57 F CB 0.466 39.479 39.000 0.022 0.000 1.405 57 F HN 0.165 nan 8.300 nan 0.000 0.517 58 E N -1.127 119.199 120.200 0.210 0.000 4.233 58 E HA -0.193 4.169 4.350 0.019 0.000 0.400 58 E C -0.652 175.989 176.600 0.069 0.000 0.563 58 E CA 0.657 57.122 56.400 0.109 0.000 1.422 58 E CB -1.237 28.517 29.700 0.091 0.000 1.876 58 E HN 0.671 nan 8.360 nan 0.000 0.364 59 D N 0.197 120.633 120.400 0.060 0.000 2.363 59 D HA 0.187 4.838 4.640 0.019 0.000 0.240 59 D C 1.924 178.241 176.300 0.027 0.000 1.236 59 D CA 0.604 54.621 54.000 0.028 0.000 0.927 59 D CB 0.316 41.116 40.800 0.001 0.000 1.150 59 D HN 0.278 nan 8.370 nan 0.000 0.458 60 L N -1.061 120.172 121.223 0.016 0.000 1.980 60 L HA -0.270 4.082 4.340 0.019 0.000 0.232 60 L C 1.739 178.616 176.870 0.011 0.000 1.092 60 L CA 1.586 56.433 54.840 0.011 0.000 0.808 60 L CB -0.857 41.206 42.059 0.007 0.000 0.908 60 L HN 0.324 nan 8.230 nan 0.000 0.442 61 L N -0.849 120.379 121.223 0.008 0.000 2.477 61 L HA 0.052 4.404 4.340 0.019 0.000 0.220 61 L C 2.425 179.304 176.870 0.016 0.000 1.106 61 L CA -0.198 54.645 54.840 0.005 0.000 0.851 61 L CB 0.097 42.157 42.059 0.001 0.000 0.994 61 L HN 0.131 nan 8.230 nan 0.000 0.462 62 V N 0.112 120.040 119.914 0.023 0.000 2.515 62 V HA -0.185 3.947 4.120 0.019 0.000 0.250 62 V C 2.567 178.713 176.094 0.086 0.000 1.058 62 V CA 1.481 63.805 62.300 0.040 0.000 1.064 62 V CB -0.569 31.255 31.823 0.002 0.000 0.675 62 V HN 0.417 nan 8.190 nan 0.000 0.461 63 R N -0.363 120.183 120.500 0.077 0.000 2.120 63 R HA -0.091 4.260 4.340 0.019 0.000 0.234 63 R C 2.212 178.540 176.300 0.047 0.000 1.123 63 R CA 1.182 57.326 56.100 0.074 0.000 0.975 63 R CB -0.293 30.040 30.300 0.055 0.000 0.866 63 R HN 0.374 nan 8.270 nan 0.000 0.446 64 I N 0.798 121.386 120.570 0.030 0.000 2.142 64 I HA -0.257 3.924 4.170 0.019 0.000 0.240 64 I C 2.241 178.367 176.117 0.016 0.000 1.078 64 I CA 1.379 62.687 61.300 0.013 0.000 1.343 64 I CB -0.888 37.111 38.000 -0.002 0.000 1.046 64 I HN 0.126 nan 8.210 nan 0.000 0.405 65 L N -0.039 121.199 121.223 0.025 0.000 2.131 65 L HA -0.195 4.157 4.340 0.019 0.000 0.210 65 L C 2.402 179.300 176.870 0.047 0.000 1.092 65 L CA 1.146 56.004 54.840 0.030 0.000 0.759 65 L CB -0.861 41.221 42.059 0.040 0.000 0.903 65 L HN 0.182 nan 8.230 nan 0.000 0.435 66 L N -1.121 120.143 121.223 0.068 0.000 1.994 66 L HA -0.206 4.146 4.340 0.019 0.000 0.208 66 L C 2.348 179.234 176.870 0.027 0.000 1.071 66 L CA 1.644 56.522 54.840 0.063 0.000 0.745 66 L CB -0.607 41.500 42.059 0.080 0.000 0.892 66 L HN 0.187 nan 8.230 nan 0.000 0.431 67 L N -0.123 121.114 121.223 0.024 0.000 2.012 67 L HA -0.160 4.191 4.340 0.019 0.000 0.210 67 L C 2.554 179.432 176.870 0.013 0.000 1.073 67 L CA 2.106 56.956 54.840 0.017 0.000 0.748 67 L CB -0.966 41.104 42.059 0.018 0.000 0.891 67 L HN 0.322 nan 8.230 nan 0.000 0.431 68 A N -0.627 122.195 122.820 0.003 0.000 1.997 68 A HA -0.243 4.088 4.320 0.019 0.000 0.221 68 A C 2.335 179.912 177.584 -0.012 0.000 1.172 68 A CA 2.018 54.045 52.037 -0.017 0.000 0.645 68 A CB -1.120 17.862 19.000 -0.030 0.000 0.813 68 A HN 0.602 nan 8.150 nan 0.000 0.454 69 A N -1.704 121.114 122.820 -0.003 0.000 2.123 69 A HA 0.073 4.405 4.320 0.019 0.000 0.214 69 A C 2.127 179.710 177.584 -0.001 0.000 1.152 69 A CA 1.163 53.191 52.037 -0.016 0.000 0.728 69 A CB -0.885 18.102 19.000 -0.021 0.000 0.814 69 A HN 0.615 nan 8.150 nan 0.000 0.464 70 C N 0.128 119.439 119.300 0.018 0.000 2.489 70 C HA -0.065 4.406 4.460 0.019 0.000 0.279 70 C C 2.609 177.648 174.990 0.080 0.000 1.266 70 C CA 0.718 59.770 59.018 0.055 0.000 1.707 70 C CB -1.378 26.384 27.740 0.037 0.000 2.059 70 C HN 0.791 nan 8.230 nan 0.000 0.481 71 I N 0.814 121.423 120.570 0.065 0.000 2.248 71 I HA -0.188 3.993 4.170 0.019 0.000 0.248 71 I C 2.287 178.437 176.117 0.055 0.000 1.107 71 I CA 2.045 63.398 61.300 0.089 0.000 1.373 71 I CB -0.946 37.145 38.000 0.153 0.000 1.055 71 I HN 0.164 nan 8.210 nan 0.000 0.418 72 S N 0.914 116.625 115.700 0.017 0.000 2.382 72 S HA -0.123 4.358 4.470 0.019 0.000 0.228 72 S C 1.715 176.264 174.600 -0.085 0.000 1.027 72 S CA 1.509 59.686 58.200 -0.039 0.000 0.991 72 S CB -0.560 62.604 63.200 -0.060 0.000 0.823 72 S HN 0.620 nan 8.310 nan 0.000 0.469 73 F N 1.682 121.515 119.950 -0.194 0.000 2.407 73 F HA 0.034 4.573 4.527 0.019 0.000 0.299 73 F C 1.756 177.454 175.800 -0.171 0.000 1.097 73 F CA 0.549 58.408 58.000 -0.235 0.000 1.422 73 F CB 0.011 38.920 39.000 -0.151 0.000 1.067 73 F HN -0.033 nan 8.300 nan 0.000 0.539 74 V N -0.164 119.656 119.914 -0.158 0.000 2.575 74 V HA -0.161 3.971 4.120 0.019 0.000 0.242 74 V C 2.301 178.304 176.094 -0.152 0.000 1.045 74 V CA 1.112 63.276 62.300 -0.226 0.000 1.065 74 V CB -0.453 31.317 31.823 -0.088 0.000 0.717 74 V HN 0.249 nan 8.190 nan 0.000 0.467 75 L N 0.469 121.670 121.223 -0.037 0.000 2.141 75 L HA -0.109 4.243 4.340 0.019 0.000 0.209 75 L C 2.675 179.521 176.870 -0.040 0.000 1.094 75 L CA 1.440 56.307 54.840 0.046 0.000 0.763 75 L CB -0.657 41.442 42.059 0.066 0.000 0.908 75 L HN 0.376 nan 8.230 nan 0.000 0.437 76 A N -0.620 122.069 122.820 -0.219 0.000 1.897 76 A HA -0.240 4.092 4.320 0.019 0.000 0.215 76 A C 2.149 179.534 177.584 -0.332 0.000 1.181 76 A CA 0.846 52.661 52.037 -0.371 0.000 0.620 76 A CB -0.916 17.597 19.000 -0.812 0.000 0.821 76 A HN 0.641 nan 8.150 nan 0.000 0.443 77 W N -0.157 120.779 121.300 -0.605 0.000 2.364 77 W HA -0.129 4.543 4.660 0.019 0.000 0.281 77 W C -0.404 175.880 176.519 -0.391 0.000 1.219 77 W CA 0.938 57.953 57.345 -0.550 0.000 1.220 77 W CB -0.220 28.768 29.460 -0.786 0.000 1.127 77 W HN 0.295 nan 8.180 nan 0.000 0.556 78 F N 2.137 122.104 119.950 0.029 0.000 2.733 78 F HA 0.129 4.667 4.527 0.019 0.000 0.344 78 F C 1.174 176.941 175.800 -0.055 0.000 1.179 78 F CA -0.147 57.850 58.000 -0.005 0.000 1.316 78 F CB -1.069 37.946 39.000 0.026 0.000 1.577 78 F HN 0.022 nan 8.300 nan 0.000 0.591 79 E N -1.341 118.880 120.200 0.035 0.000 3.713 79 E HA -0.355 4.007 4.350 0.019 0.000 0.287 79 E C 1.312 177.926 176.600 0.024 0.000 0.672 79 E CA 1.901 58.307 56.400 0.009 0.000 1.003 79 E CB -0.385 29.328 29.700 0.021 0.000 1.545 79 E HN 0.693 nan 8.360 nan 0.000 0.438 80 E N -1.796 118.430 120.200 0.043 0.000 2.933 80 E HA 0.288 4.650 4.350 0.019 0.000 0.301 80 E C 1.452 178.068 176.600 0.027 0.000 0.836 80 E CA 0.519 56.943 56.400 0.040 0.000 1.213 80 E CB 0.281 30.014 29.700 0.053 0.000 2.349 80 E HN 0.169 nan 8.360 nan 0.000 0.558 81 G N 0.589 109.410 108.800 0.035 0.000 5.426 81 G HA2 -0.343 3.628 3.960 0.019 0.000 0.297 81 G HA3 -0.343 3.628 3.960 0.019 0.000 0.297 81 G C 0.929 175.878 174.900 0.082 0.000 1.422 81 G CA 0.977 46.100 45.100 0.038 0.000 0.938 81 G HN 0.459 nan 8.290 nan 0.000 0.754 82 E N -1.321 118.922 120.200 0.072 0.000 1.555 82 E HA 0.007 4.369 4.350 0.019 0.000 0.232 82 E C -0.646 175.986 176.600 0.054 0.000 1.063 82 E CA 0.487 56.940 56.400 0.090 0.000 1.393 82 E CB 0.073 29.861 29.700 0.145 0.000 4.318 82 E HN 0.564 nan 8.360 nan 0.000 0.821 83 E N 2.079 122.302 120.200 0.039 0.000 2.176 83 E HA 0.260 4.622 4.350 0.019 0.000 0.267 83 E C 0.792 177.399 176.600 0.013 0.000 0.893 83 E CA 0.167 56.577 56.400 0.017 0.000 0.761 83 E CB 1.843 31.544 29.700 0.003 0.000 1.133 83 E HN 0.199 nan 8.360 nan 0.000 0.409 84 T N 0.559 115.123 114.554 0.016 0.000 2.597 84 T HA -0.193 4.168 4.350 0.019 0.000 0.267 84 T C 1.670 176.404 174.700 0.056 0.000 1.053 84 T CA 0.847 62.964 62.100 0.028 0.000 1.165 84 T CB 0.025 68.907 68.868 0.023 0.000 0.863 84 T HN 0.360 nan 8.240 nan 0.000 0.427 85 I N 1.612 122.215 120.570 0.054 0.000 2.852 85 I HA -0.016 4.166 4.170 0.019 0.000 0.264 85 I C 2.349 178.515 176.117 0.082 0.000 1.179 85 I CA 0.890 62.253 61.300 0.105 0.000 1.480 85 I CB -1.257 36.781 38.000 0.063 0.000 1.111 85 I HN 0.335 nan 8.210 nan 0.000 0.441 86 T N 1.480 116.031 114.554 -0.006 0.000 2.969 86 T HA -0.127 4.234 4.350 0.019 0.000 0.271 86 T C 1.790 176.461 174.700 -0.048 0.000 1.127 86 T CA 1.208 63.260 62.100 -0.080 0.000 1.102 86 T CB -0.126 68.676 68.868 -0.110 0.000 0.855 86 T HN 0.436 nan 8.240 nan 0.000 0.536 87 A N -0.274 122.537 122.820 -0.015 0.000 2.081 87 A HA 0.302 4.633 4.320 0.019 0.000 0.214 87 A C 1.599 179.103 177.584 -0.133 0.000 1.158 87 A CA 0.297 52.285 52.037 -0.080 0.000 0.724 87 A CB -0.401 18.528 19.000 -0.119 0.000 0.826 87 A HN 0.464 nan 8.150 nan 0.000 0.463 88 F N -1.106 118.853 119.950 0.014 0.000 2.664 88 F HA 0.060 4.599 4.527 0.019 0.000 0.296 88 F C 2.101 177.956 175.800 0.090 0.000 1.125 88 F CA 0.503 58.538 58.000 0.059 0.000 1.444 88 F CB 0.255 39.339 39.000 0.139 0.000 1.114 88 F HN 0.037 nan 8.300 nan 0.000 0.576 89 V N -0.201 119.857 119.914 0.240 0.000 2.323 89 V HA -0.232 3.900 4.120 0.019 0.000 0.244 89 V C 2.053 178.240 176.094 0.155 0.000 1.041 89 V CA 1.758 64.201 62.300 0.238 0.000 1.025 89 V CB -0.397 31.461 31.823 0.059 0.000 0.656 89 V HN 0.254 nan 8.190 nan 0.000 0.451 90 E N 0.132 120.356 120.200 0.041 0.000 2.068 90 E HA -0.265 4.097 4.350 0.019 0.000 0.207 90 E C -0.197 176.392 176.600 -0.018 0.000 1.032 90 E CA 2.153 58.567 56.400 0.023 0.000 0.839 90 E CB -1.394 28.289 29.700 -0.029 0.000 0.758 90 E HN 0.528 nan 8.360 nan 0.000 0.457 91 P HA -0.162 nan 4.420 nan 0.000 0.217 91 P C 0.735 177.900 177.300 -0.225 0.000 1.148 91 P CA 1.280 64.209 63.100 -0.285 0.000 0.828 91 P CB -0.047 31.328 31.700 -0.542 0.000 0.783 92 F N -2.346 117.700 119.950 0.160 0.000 2.776 92 F HA 0.039 4.578 4.527 0.019 0.000 0.300 92 F C 1.991 177.897 175.800 0.176 0.000 1.116 92 F CA 0.190 58.286 58.000 0.159 0.000 1.375 92 F CB -1.217 37.887 39.000 0.173 0.000 1.109 92 F HN -0.270 nan 8.300 nan 0.000 0.585 93 V N -0.116 119.986 119.914 0.313 0.000 2.871 93 V HA -0.164 3.967 4.120 0.019 0.000 0.256 93 V C 2.050 178.253 176.094 0.181 0.000 1.082 93 V CA 1.314 63.787 62.300 0.289 0.000 1.105 93 V CB -0.393 31.636 31.823 0.344 0.000 0.713 93 V HN 0.278 nan 8.190 nan 0.000 0.473 94 I N -1.021 119.635 120.570 0.144 0.000 2.429 94 I HA -0.061 4.121 4.170 0.019 0.000 0.247 94 I C 2.157 178.349 176.117 0.124 0.000 1.099 94 I CA 0.676 62.035 61.300 0.099 0.000 1.422 94 I CB -0.237 37.798 38.000 0.059 0.000 1.112 94 I HN 0.202 nan 8.210 nan 0.000 0.430 95 L N 0.275 121.597 121.223 0.165 0.000 2.079 95 L HA -0.202 4.149 4.340 0.019 0.000 0.210 95 L C 2.343 179.329 176.870 0.193 0.000 1.081 95 L CA 1.619 56.581 54.840 0.203 0.000 0.752 95 L CB -0.966 41.250 42.059 0.262 0.000 0.896 95 L HN 0.182 nan 8.230 nan 0.000 0.433 96 L N -0.657 120.679 121.223 0.188 0.000 1.970 96 L HA -0.247 4.105 4.340 0.019 0.000 0.212 96 L C 2.417 179.346 176.870 0.099 0.000 1.071 96 L CA 1.701 56.631 54.840 0.149 0.000 0.751 96 L CB -0.557 41.593 42.059 0.152 0.000 0.889 96 L HN 0.216 nan 8.230 nan 0.000 0.432 97 I N -1.221 119.392 120.570 0.071 0.000 2.248 97 I HA -0.358 3.824 4.170 0.019 0.000 0.248 97 I C 2.222 178.363 176.117 0.040 0.000 1.107 97 I CA 1.392 62.714 61.300 0.036 0.000 1.373 97 I CB 0.034 38.042 38.000 0.013 0.000 1.055 97 I HN 0.282 nan 8.210 nan 0.000 0.418 98 L N 0.280 121.541 121.223 0.064 0.000 2.017 98 L HA -0.242 4.110 4.340 0.019 0.000 0.208 98 L C 2.534 179.420 176.870 0.028 0.000 1.073 98 L CA 1.098 55.959 54.840 0.035 0.000 0.745 98 L CB -0.720 41.424 42.059 0.141 0.000 0.894 98 L HN 0.259 nan 8.230 nan 0.000 0.432 99 I N 0.375 121.024 120.570 0.131 0.000 2.286 99 I HA -0.226 3.955 4.170 0.019 0.000 0.248 99 I C 2.858 179.029 176.117 0.089 0.000 1.115 99 I CA 1.487 62.879 61.300 0.154 0.000 1.392 99 I CB -1.504 36.604 38.000 0.180 0.000 1.065 99 I HN 0.179 nan 8.210 nan 0.000 0.418 100 A N 1.257 124.116 122.820 0.065 0.000 1.877 100 A HA -0.211 4.121 4.320 0.019 0.000 0.216 100 A C 2.138 179.737 177.584 0.025 0.000 1.186 100 A CA 1.867 53.930 52.037 0.044 0.000 0.620 100 A CB -0.676 18.341 19.000 0.029 0.000 0.822 100 A HN 0.383 nan 8.150 nan 0.000 0.443 101 N N 0.260 118.963 118.700 0.005 0.000 2.188 101 N HA -0.058 4.694 4.740 0.019 0.000 0.184 101 N C 1.868 177.358 175.510 -0.032 0.000 1.018 101 N CA 1.449 54.492 53.050 -0.012 0.000 0.858 101 N CB -0.573 37.901 38.487 -0.021 0.000 0.989 101 N HN 0.458 nan 8.380 nan 0.000 0.426 102 A N 1.196 123.976 122.820 -0.068 0.000 1.908 102 A HA -0.093 4.238 4.320 0.019 0.000 0.218 102 A C 2.319 179.929 177.584 0.044 0.000 1.181 102 A CA 0.984 52.975 52.037 -0.076 0.000 0.627 102 A CB -0.710 18.224 19.000 -0.110 0.000 0.818 102 A HN 0.226 nan 8.150 nan 0.000 0.445 103 I N -0.584 120.039 120.570 0.087 0.000 2.163 103 I HA -0.234 3.948 4.170 0.019 0.000 0.243 103 I C 2.372 178.602 176.117 0.188 0.000 1.085 103 I CA 1.260 62.656 61.300 0.160 0.000 1.347 103 I CB -0.378 37.721 38.000 0.165 0.000 1.044 103 I HN 0.161 nan 8.210 nan 0.000 0.408 104 V N 1.022 120.994 119.914 0.098 0.000 2.343 104 V HA -0.234 3.898 4.120 0.019 0.000 0.247 104 V C 2.565 178.729 176.094 0.117 0.000 1.051 104 V CA 2.235 64.575 62.300 0.067 0.000 1.036 104 V CB -1.387 30.429 31.823 -0.013 0.000 0.654 104 V HN 0.590 nan 8.190 nan 0.000 0.451 105 G N -0.184 108.659 108.800 0.073 0.000 2.459 105 G HA2 -0.225 3.746 3.960 0.019 0.000 0.217 105 G HA3 -0.225 3.746 3.960 0.019 0.000 0.217 105 G C 1.687 176.640 174.900 0.090 0.000 1.183 105 G CA 1.275 46.406 45.100 0.052 0.000 0.776 105 G HN 0.372 nan 8.290 nan 0.000 0.552 106 V N -0.190 119.789 119.914 0.108 0.000 2.332 106 V HA -0.174 3.958 4.120 0.019 0.000 0.248 106 V C 2.342 178.515 176.094 0.132 0.000 1.055 106 V CA 1.757 64.118 62.300 0.102 0.000 1.038 106 V CB -0.559 31.332 31.823 0.113 0.000 0.651 106 V HN 0.594 nan 8.190 nan 0.000 0.450 107 W N 0.645 121.955 121.300 0.017 0.000 2.354 107 W HA -0.152 4.519 4.660 0.019 0.000 0.315 107 W C 2.546 179.068 176.519 0.004 0.000 1.206 107 W CA 1.882 59.238 57.345 0.018 0.000 1.290 107 W CB -0.468 29.002 29.460 0.017 0.000 1.152 107 W HN 0.276 nan 8.180 nan 0.000 0.489 108 Q N 0.188 120.186 119.800 0.331 0.000 2.124 108 Q HA -0.227 4.125 4.340 0.019 0.000 0.202 108 Q C 1.984 178.037 176.000 0.088 0.000 0.977 108 Q CA 1.911 57.828 55.803 0.189 0.000 0.850 108 Q CB -0.648 28.150 28.738 0.100 0.000 0.901 108 Q HN 0.535 nan 8.270 nan 0.000 0.429 109 E N 0.293 120.527 120.200 0.057 0.000 2.072 109 E HA -0.198 4.164 4.350 0.019 0.000 0.191 109 E C 2.029 178.618 176.600 -0.019 0.000 0.985 109 E CA 0.791 57.194 56.400 0.005 0.000 0.801 109 E CB 0.136 29.832 29.700 -0.006 0.000 0.750 109 E HN -0.016 nan 8.360 nan 0.000 0.452 110 R N 1.002 121.483 120.500 -0.031 0.000 2.073 110 R HA -0.032 4.320 4.340 0.019 0.000 0.234 110 R C 1.871 178.135 176.300 -0.059 0.000 1.134 110 R CA 1.948 57.996 56.100 -0.087 0.000 0.952 110 R CB -0.554 29.651 30.300 -0.158 0.000 0.850 110 R HN 0.291 nan 8.270 nan 0.000 0.433 111 N N -0.403 118.293 118.700 -0.007 0.000 2.166 111 N HA -0.168 4.584 4.740 0.019 0.000 0.186 111 N C 1.497 177.016 175.510 0.016 0.000 1.019 111 N CA 1.077 54.148 53.050 0.034 0.000 0.856 111 N CB -0.074 38.495 38.487 0.137 0.000 0.993 111 N HN 0.299 nan 8.380 nan 0.000 0.426 112 A N 1.812 124.635 122.820 0.006 0.000 1.841 112 A HA -0.156 4.175 4.320 0.019 0.000 0.214 112 A C 1.988 179.558 177.584 -0.023 0.000 1.195 112 A CA 1.210 53.240 52.037 -0.012 0.000 0.611 112 A CB -0.583 18.405 19.000 -0.021 0.000 0.835 112 A HN 0.247 nan 8.150 nan 0.000 0.443 113 E N -0.076 120.103 120.200 -0.035 0.000 2.097 113 E HA -0.240 4.122 4.350 0.019 0.000 0.196 113 E C 1.937 178.514 176.600 -0.039 0.000 1.000 113 E CA 1.515 57.889 56.400 -0.045 0.000 0.804 113 E CB -0.368 29.292 29.700 -0.067 0.000 0.740 113 E HN 0.737 nan 8.360 nan 0.000 0.454 114 N N 0.443 119.120 118.700 -0.038 0.000 2.043 114 N HA -0.185 4.567 4.740 0.019 0.000 0.193 114 N C 1.981 177.484 175.510 -0.012 0.000 1.037 114 N CA 1.028 54.062 53.050 -0.027 0.000 0.851 114 N CB -0.175 38.297 38.487 -0.025 0.000 1.027 114 N HN 0.093 nan 8.380 nan 0.000 0.422 115 A N 1.198 124.014 122.820 -0.007 0.000 1.917 115 A HA -0.162 4.169 4.320 0.019 0.000 0.219 115 A C 2.130 179.709 177.584 -0.008 0.000 1.182 115 A CA 1.318 53.352 52.037 -0.004 0.000 0.633 115 A CB -0.752 18.246 19.000 -0.003 0.000 0.819 115 A HN 0.236 nan 8.150 nan 0.000 0.448 116 I N -0.784 119.778 120.570 -0.014 0.000 2.286 116 I HA -0.158 4.023 4.170 0.019 0.000 0.245 116 I C 2.341 178.454 176.117 -0.006 0.000 1.104 116 I CA 1.078 62.370 61.300 -0.014 0.000 1.397 116 I CB -0.365 37.622 38.000 -0.021 0.000 1.072 116 I HN 0.224 nan 8.210 nan 0.000 0.417 117 E N 1.093 121.287 120.200 -0.010 0.000 2.204 117 E HA -0.165 4.197 4.350 0.019 0.000 0.195 117 E C 2.297 178.904 176.600 0.012 0.000 0.990 117 E CA 1.267 57.664 56.400 -0.006 0.000 0.821 117 E CB -0.171 29.518 29.700 -0.018 0.000 0.750 117 E HN 0.507 nan 8.360 nan 0.000 0.477 118 A N 1.300 124.130 122.820 0.016 0.000 1.873 118 A HA -0.111 4.220 4.320 0.019 0.000 0.215 118 A C 2.285 179.909 177.584 0.067 0.000 1.186 118 A CA 0.849 52.910 52.037 0.041 0.000 0.616 118 A CB -0.641 18.377 19.000 0.031 0.000 0.823 118 A HN 0.229 nan 8.150 nan 0.000 0.442 119 L N -0.585 120.660 121.223 0.037 0.000 2.056 119 L HA -0.166 4.185 4.340 0.019 0.000 0.207 119 L C 2.483 179.398 176.870 0.075 0.000 1.078 119 L CA 1.710 56.573 54.840 0.039 0.000 0.749 119 L CB -0.380 41.677 42.059 -0.004 0.000 0.901 119 L HN 0.412 nan 8.230 nan 0.000 0.433 120 K N -0.398 120.029 120.400 0.046 0.000 2.103 120 K HA -0.171 4.161 4.320 0.019 0.000 0.207 120 K C 1.575 178.205 176.600 0.051 0.000 1.048 120 K CA 1.037 57.348 56.287 0.040 0.000 0.930 120 K CB 0.018 32.528 32.500 0.016 0.000 0.716 120 K HN 0.301 nan 8.250 nan 0.000 0.444 121 E N -0.283 119.951 120.200 0.056 0.000 2.489 121 E HA -0.069 4.293 4.350 0.019 0.000 0.193 121 E C 1.317 177.945 176.600 0.047 0.000 1.057 121 E CA 0.200 56.621 56.400 0.036 0.000 0.866 121 E CB -0.063 29.648 29.700 0.019 0.000 0.916 121 E HN 0.346 nan 8.360 nan 0.000 0.500 122 Y N 2.184 122.476 120.300 -0.012 0.000 2.084 122 Y HA -0.140 4.422 4.550 0.019 0.000 0.279 122 Y C 0.962 176.855 175.900 -0.012 0.000 1.119 122 Y CA 1.369 59.462 58.100 -0.011 0.000 1.101 122 Y CB 0.124 38.578 38.460 -0.009 0.000 0.989 122 Y HN -0.128 nan 8.280 nan 0.000 0.484 123 E N 2.281 122.505 120.200 0.039 0.000 2.152 123 E HA 0.253 4.615 4.350 0.019 0.000 0.285 123 E C -2.666 173.900 176.600 -0.058 0.000 1.043 123 E CA -2.604 53.769 56.400 -0.044 0.000 0.839 123 E CB 0.546 30.316 29.700 0.116 0.000 1.069 123 E HN 0.145 nan 8.360 nan 0.000 0.399 124 P HA 0.086 nan 4.420 nan 0.000 0.271 124 P C -0.824 176.453 177.300 -0.038 0.000 1.216 124 P CA -0.084 62.974 63.100 -0.070 0.000 0.771 124 P CB 0.638 32.286 31.700 -0.087 0.000 0.864 125 E N 2.250 122.435 120.200 -0.025 0.000 2.373 125 E HA 0.198 4.560 4.350 0.019 0.000 0.267 125 E C -0.096 176.493 176.600 -0.018 0.000 1.032 125 E CA -0.031 56.360 56.400 -0.014 0.000 0.889 125 E CB 0.428 30.124 29.700 -0.006 0.000 0.984 125 E HN 0.330 nan 8.360 nan 0.000 0.425 126 M N 1.036 120.626 119.600 -0.017 0.000 2.716 126 M HA 0.553 5.045 4.480 0.019 0.000 0.307 126 M C 0.166 176.454 176.300 -0.021 0.000 1.223 126 M CA -0.671 54.615 55.300 -0.023 0.000 0.871 126 M CB 1.692 34.275 32.600 -0.029 0.000 1.739 126 M HN 0.612 nan 8.290 nan 0.000 0.475 127 G N 0.990 109.773 108.800 -0.028 0.000 2.725 127 G HA2 0.783 4.754 3.960 0.019 0.000 0.288 127 G HA3 0.783 4.754 3.960 0.019 0.000 0.288 127 G C -1.615 173.257 174.900 -0.046 0.000 1.399 127 G CA -0.798 44.283 45.100 -0.030 0.000 0.859 127 G HN 0.587 nan 8.290 nan 0.000 0.479 128 K N -0.054 120.315 120.400 -0.052 0.000 2.413 128 K HA 0.652 4.984 4.320 0.019 0.000 0.257 128 K C -0.780 175.770 176.600 -0.083 0.000 0.946 128 K CA -0.785 55.453 56.287 -0.082 0.000 0.823 128 K CB 2.329 34.772 32.500 -0.096 0.000 1.109 128 K HN 0.621 nan 8.250 nan 0.000 0.427 129 V N -0.496 119.355 119.914 -0.106 0.000 2.914 129 V HA 0.502 4.634 4.120 0.019 0.000 0.314 129 V C -1.105 174.909 176.094 -0.133 0.000 1.084 129 V CA -1.194 61.064 62.300 -0.070 0.000 0.963 129 V CB 1.049 32.850 31.823 -0.036 0.000 1.025 129 V HN 0.649 nan 8.190 nan 0.000 0.432 130 Y N 2.067 122.350 120.300 -0.028 0.000 2.327 130 Y HA 0.715 5.277 4.550 0.019 0.000 0.336 130 Y C 0.736 176.618 175.900 -0.032 0.000 1.035 130 Y CA 0.013 58.099 58.100 -0.023 0.000 1.165 130 Y CB 1.347 39.795 38.460 -0.018 0.000 1.181 130 Y HN 0.588 nan 8.280 nan 0.000 0.494 131 R N 1.049 121.619 120.500 0.116 0.000 2.795 131 R HA 0.550 4.902 4.340 0.019 0.000 0.275 131 R C 0.552 176.887 176.300 0.058 0.000 0.981 131 R CA -0.476 55.658 56.100 0.056 0.000 0.917 131 R CB 1.714 32.021 30.300 0.012 0.000 1.202 131 R HN 0.794 nan 8.270 nan 0.000 0.469 132 A N 1.295 124.134 122.820 0.032 0.000 2.032 132 A HA -0.217 4.115 4.320 0.019 0.000 0.221 132 A C 1.268 178.870 177.584 0.030 0.000 1.165 132 A CA 2.117 54.170 52.037 0.028 0.000 0.645 132 A CB -0.458 18.549 19.000 0.011 0.000 0.807 132 A HN 0.850 nan 8.150 nan 0.000 0.453 133 D N -1.141 119.274 120.400 0.025 0.000 2.363 133 D HA -0.011 4.640 4.640 0.019 0.000 0.226 133 D C 0.647 176.966 176.300 0.031 0.000 1.020 133 D CA 0.417 54.430 54.000 0.023 0.000 0.892 133 D CB -0.119 40.691 40.800 0.016 0.000 0.900 133 D HN 0.452 nan 8.370 nan 0.000 0.531 134 R N -0.641 119.884 120.500 0.043 0.000 2.584 134 R HA 0.315 4.667 4.340 0.019 0.000 0.276 134 R C 0.512 176.863 176.300 0.085 0.000 1.046 134 R CA -0.702 55.429 56.100 0.051 0.000 0.906 134 R CB 1.892 32.213 30.300 0.036 0.000 1.215 134 R HN -0.210 nan 8.270 nan 0.000 0.449 135 K N 0.491 120.941 120.400 0.083 0.000 2.007 135 K HA 0.064 4.395 4.320 0.019 0.000 0.206 135 K C 0.560 177.274 176.600 0.190 0.000 1.047 135 K CA 0.997 57.353 56.287 0.115 0.000 0.937 135 K CB 0.064 32.610 32.500 0.076 0.000 0.718 135 K HN 0.310 nan 8.250 nan 0.000 0.438 136 S N 0.679 116.447 115.700 0.114 0.000 2.617 136 S HA 0.112 4.594 4.470 0.019 0.000 0.269 136 S C -0.290 174.236 174.600 -0.124 0.000 1.292 136 S CA -0.650 57.588 58.200 0.063 0.000 1.010 136 S CB 1.713 64.926 63.200 0.022 0.000 0.944 136 S HN 0.075 nan 8.310 nan 0.000 0.536 137 V N 3.108 122.753 119.914 -0.449 0.000 2.901 137 V HA 0.143 4.275 4.120 0.019 0.000 0.307 137 V C 0.020 175.933 176.094 -0.301 0.000 1.084 137 V CA 0.642 62.510 62.300 -0.719 0.000 1.184 137 V CB 0.621 31.957 31.823 -0.812 0.000 0.941 137 V HN 0.930 nan 8.190 nan 0.000 0.493 138 Q N 6.132 125.790 119.800 -0.237 0.000 2.458 138 Q HA 0.658 5.010 4.340 0.019 0.000 0.282 138 Q C -1.221 174.713 176.000 -0.110 0.000 1.106 138 Q CA -1.201 54.526 55.803 -0.126 0.000 0.814 138 Q CB 1.881 30.573 28.738 -0.077 0.000 1.425 138 Q HN 0.788 nan 8.270 nan 0.000 0.437 139 R N 1.440 121.891 120.500 -0.083 0.000 2.338 139 R HA 0.677 5.029 4.340 0.019 0.000 0.317 139 R C -0.185 176.079 176.300 -0.060 0.000 0.968 139 R CA -0.584 55.473 56.100 -0.072 0.000 0.849 139 R CB 0.634 30.893 30.300 -0.067 0.000 1.128 139 R HN 0.775 nan 8.270 nan 0.000 0.448 140 I N -1.954 118.587 120.570 -0.050 0.000 3.067 140 I HA 0.518 4.700 4.170 0.019 0.000 0.312 140 I C -0.680 175.419 176.117 -0.030 0.000 1.073 140 I CA -1.769 59.508 61.300 -0.037 0.000 1.016 140 I CB 1.978 39.961 38.000 -0.028 0.000 1.227 140 I HN 0.385 nan 8.210 nan 0.000 0.456 141 K N 2.221 122.608 120.400 -0.021 0.000 2.451 141 K HA 0.200 4.531 4.320 0.019 0.000 0.280 141 K C 1.045 177.645 176.600 0.001 0.000 1.020 141 K CA 0.524 56.802 56.287 -0.014 0.000 1.008 141 K CB 1.079 33.572 32.500 -0.011 0.000 0.917 141 K HN 0.730 nan 8.250 nan 0.000 0.478 142 A N 3.762 126.581 122.820 -0.002 0.000 2.076 142 A HA -0.198 4.133 4.320 0.019 0.000 0.220 142 A C 2.066 179.666 177.584 0.028 0.000 1.160 142 A CA 1.456 53.496 52.037 0.005 0.000 0.653 142 A CB -0.359 18.642 19.000 0.002 0.000 0.801 142 A HN 0.848 nan 8.150 nan 0.000 0.455 143 R N -0.356 120.169 120.500 0.042 0.000 2.148 143 R HA -0.110 4.242 4.340 0.019 0.000 0.223 143 R C 0.410 176.816 176.300 0.177 0.000 1.088 143 R CA 1.489 57.642 56.100 0.090 0.000 0.985 143 R CB -0.139 30.191 30.300 0.048 0.000 0.880 143 R HN 0.350 nan 8.270 nan 0.000 0.451 144 D N 0.768 121.245 120.400 0.128 0.000 2.340 144 D HA 0.008 4.659 4.640 0.019 0.000 0.220 144 D C 0.766 177.083 176.300 0.028 0.000 1.039 144 D CA 0.211 54.278 54.000 0.112 0.000 0.866 144 D CB 0.029 40.877 40.800 0.079 0.000 0.913 144 D HN 0.412 nan 8.370 nan 0.000 0.523 145 I N -0.005 120.576 120.570 0.018 0.000 2.662 145 I HA 0.269 4.451 4.170 0.019 0.000 0.291 145 I C -0.173 175.933 176.117 -0.019 0.000 1.046 145 I CA -0.617 60.674 61.300 -0.015 0.000 1.361 145 I CB 1.276 39.260 38.000 -0.026 0.000 1.429 145 I HN -0.242 nan 8.210 nan 0.000 0.558 146 V N 2.176 122.065 119.914 -0.042 0.000 3.040 146 V HA 0.687 4.819 4.120 0.019 0.000 0.312 146 V C -2.756 173.260 176.094 -0.130 0.000 1.115 146 V CA -2.554 59.731 62.300 -0.024 0.000 0.998 146 V CB 1.057 32.935 31.823 0.093 0.000 1.042 146 V HN 0.676 nan 8.190 nan 0.000 0.433 147 P HA 0.308 nan 4.420 nan 0.000 0.263 147 P C 0.996 177.913 177.300 -0.639 0.000 1.175 147 P CA 2.149 64.989 63.100 -0.433 0.000 0.761 147 P CB 0.611 31.989 31.700 -0.537 0.000 0.794 148 G N 2.074 110.175 108.800 -1.164 0.000 2.279 148 G HA2 -0.176 3.796 3.960 0.019 0.000 0.223 148 G HA3 -0.176 3.796 3.960 0.019 0.000 0.223 148 G C -0.188 174.448 174.900 -0.441 0.000 1.015 148 G CA 0.120 44.572 45.100 -1.080 0.000 0.621 148 G HN 0.665 nan 8.290 nan 0.000 0.506 149 D N 1.448 121.669 120.400 -0.298 0.000 2.312 149 D HA 0.540 5.192 4.640 0.019 0.000 0.248 149 D C 0.539 176.780 176.300 -0.098 0.000 1.086 149 D CA -0.929 52.976 54.000 -0.158 0.000 0.948 149 D CB 0.731 41.465 40.800 -0.109 0.000 1.162 149 D HN 0.137 nan 8.370 nan 0.000 0.446 150 I N 0.983 121.539 120.570 -0.024 0.000 2.352 150 I HA 0.190 4.372 4.170 0.019 0.000 0.290 150 I C -0.011 176.147 176.117 0.069 0.000 1.036 150 I CA -0.719 60.600 61.300 0.032 0.000 1.336 150 I CB 0.604 38.644 38.000 0.067 0.000 1.407 150 I HN 0.218 nan 8.210 nan 0.000 0.497 151 V N 6.221 126.160 119.914 0.041 0.000 2.628 151 V HA 0.412 4.544 4.120 0.019 0.000 0.306 151 V C 0.055 176.178 176.094 0.049 0.000 1.045 151 V CA -0.840 61.474 62.300 0.024 0.000 0.905 151 V CB 2.465 34.279 31.823 -0.015 0.000 0.997 151 V HN 0.706 nan 8.190 nan 0.000 0.436 152 E N 2.611 122.830 120.200 0.031 0.000 2.171 152 E HA 0.683 5.044 4.350 0.019 0.000 0.271 152 E C -1.368 175.236 176.600 0.006 0.000 0.916 152 E CA -0.509 55.912 56.400 0.036 0.000 0.774 152 E CB 2.056 31.770 29.700 0.023 0.000 1.128 152 E HN 0.653 nan 8.360 nan 0.000 0.403 153 V N 0.414 120.336 119.914 0.014 0.000 2.876 153 V HA 1.000 5.132 4.120 0.019 0.000 0.312 153 V C -0.790 175.315 176.094 0.019 0.000 1.085 153 V CA -0.700 61.605 62.300 0.008 0.000 0.945 153 V CB 1.360 33.184 31.823 0.002 0.000 1.017 153 V HN 0.737 nan 8.190 nan 0.000 0.428 154 A N 2.551 125.382 122.820 0.019 0.000 2.556 154 A HA 0.861 5.193 4.320 0.019 0.000 0.294 154 A C -0.212 177.393 177.584 0.034 0.000 1.091 154 A CA -0.412 51.644 52.037 0.031 0.000 0.704 154 A CB 1.745 20.762 19.000 0.030 0.000 1.300 154 A HN 2.273 nan 8.150 nan 0.000 0.406 155 V N 0.311 120.254 119.914 0.048 0.000 2.886 155 V HA 0.262 4.394 4.120 0.019 0.000 0.294 155 V C 1.470 177.590 176.094 0.043 0.000 1.219 155 V CA 1.266 63.598 62.300 0.052 0.000 1.334 155 V CB -1.120 30.749 31.823 0.076 0.000 0.828 155 V HN 2.706 nan 8.190 nan 0.000 0.480 156 G N 2.802 111.624 108.800 0.037 0.000 2.376 156 G HA2 -0.181 3.791 3.960 0.019 0.000 0.208 156 G HA3 -0.181 3.791 3.960 0.019 0.000 0.208 156 G C -0.116 174.798 174.900 0.023 0.000 1.032 156 G CA 0.056 45.175 45.100 0.031 0.000 0.641 156 G HN 0.788 nan 8.290 nan 0.000 0.503 157 D N 1.429 121.841 120.400 0.020 0.000 2.372 157 D HA 0.424 5.075 4.640 0.019 0.000 0.243 157 D C 0.516 176.825 176.300 0.015 0.000 1.121 157 D CA 0.094 54.102 54.000 0.013 0.000 0.898 157 D CB 1.263 42.068 40.800 0.008 0.000 1.202 157 D HN 0.492 nan 8.370 nan 0.000 0.428 158 K N 1.423 121.831 120.400 0.013 0.000 2.297 158 K HA 0.199 4.530 4.320 0.019 0.000 0.286 158 K C -0.733 175.874 176.600 0.012 0.000 1.053 158 K CA -0.611 55.685 56.287 0.015 0.000 0.940 158 K CB 0.644 33.152 32.500 0.014 0.000 1.019 158 K HN 0.112 nan 8.250 nan 0.000 0.475 159 V N 8.044 127.968 119.914 0.017 0.000 2.493 159 V HA 0.019 4.151 4.120 0.019 0.000 0.292 159 V C -1.270 174.832 176.094 0.013 0.000 1.016 159 V CA -0.862 61.444 62.300 0.011 0.000 1.097 159 V CB 0.914 32.746 31.823 0.015 0.000 0.947 159 V HN 0.877 nan 8.190 nan 0.000 0.479 160 P HA 0.240 nan 4.420 nan 0.000 0.245 160 P C 0.096 177.400 177.300 0.007 0.000 1.203 160 P CA 0.706 63.809 63.100 0.005 0.000 0.792 160 P CB 0.778 32.476 31.700 -0.004 0.000 0.997 161 A N -0.707 122.114 122.820 0.001 0.000 2.564 161 A HA 0.491 4.822 4.320 0.019 0.000 0.291 161 A C -1.671 175.910 177.584 -0.005 0.000 1.102 161 A CA -0.583 51.455 52.037 0.002 0.000 0.660 161 A CB 0.135 19.125 19.000 -0.017 0.000 1.283 161 A HN -0.233 nan 8.150 nan 0.000 0.430 162 D N 0.804 121.206 120.400 0.004 0.000 2.343 162 D HA 0.558 5.209 4.640 0.019 0.000 0.255 162 D C -0.612 175.648 176.300 -0.067 0.000 1.187 162 D CA 0.969 54.962 54.000 -0.011 0.000 0.875 162 D CB 0.422 41.256 40.800 0.057 0.000 1.136 162 D HN 0.401 nan 8.370 nan 0.000 0.469 163 I N 1.948 122.440 120.570 -0.129 0.000 2.582 163 I HA 0.313 4.495 4.170 0.019 0.000 0.292 163 I C -0.227 175.807 176.117 -0.139 0.000 1.066 163 I CA -1.120 60.112 61.300 -0.113 0.000 1.053 163 I CB 2.188 40.129 38.000 -0.097 0.000 1.241 163 I HN -0.003 nan 8.210 nan 0.000 0.421 164 R N 6.614 127.066 120.500 -0.081 0.000 2.295 164 R HA 0.558 4.909 4.340 0.019 0.000 0.324 164 R C -1.275 174.997 176.300 -0.047 0.000 0.968 164 R CA -0.338 55.725 56.100 -0.062 0.000 0.837 164 R CB 0.525 30.819 30.300 -0.010 0.000 1.133 164 R HN 0.518 nan 8.270 nan 0.000 0.450 165 I N 6.631 127.165 120.570 -0.060 0.000 2.471 165 I HA 0.038 4.220 4.170 0.019 0.000 0.286 165 I C 0.858 176.970 176.117 -0.007 0.000 1.079 165 I CA -0.040 61.235 61.300 -0.041 0.000 1.398 165 I CB 0.918 38.884 38.000 -0.057 0.000 1.403 165 I HN 0.626 nan 8.210 nan 0.000 0.530 166 L N 3.888 125.112 121.223 0.002 0.000 2.286 166 L HA 0.179 4.530 4.340 0.019 0.000 0.203 166 L C 0.777 177.658 176.870 0.019 0.000 1.068 166 L CA 0.619 55.467 54.840 0.014 0.000 0.811 166 L CB 0.165 42.230 42.059 0.010 0.000 0.989 166 L HN 0.631 nan 8.230 nan 0.000 0.467 167 S N -0.365 115.347 115.700 0.020 0.000 2.592 167 S HA 0.466 4.948 4.470 0.019 0.000 0.275 167 S C -1.057 173.564 174.600 0.034 0.000 1.169 167 S CA -0.587 57.630 58.200 0.027 0.000 0.958 167 S CB 0.978 64.191 63.200 0.022 0.000 1.095 167 S HN 0.072 nan 8.310 nan 0.000 0.471 168 I N 5.534 126.129 120.570 0.042 0.000 2.297 168 I HA 0.364 4.546 4.170 0.019 0.000 0.291 168 I C 0.930 177.084 176.117 0.063 0.000 1.033 168 I CA -0.628 60.701 61.300 0.049 0.000 1.253 168 I CB 1.260 39.290 38.000 0.050 0.000 1.396 168 I HN 0.531 nan 8.210 nan 0.000 0.476 169 K N 3.698 124.140 120.400 0.070 0.000 2.459 169 K HA 0.088 4.420 4.320 0.019 0.000 0.193 169 K C 0.585 177.249 176.600 0.105 0.000 1.030 169 K CA 0.204 56.542 56.287 0.086 0.000 1.026 169 K CB -0.051 32.500 32.500 0.084 0.000 0.809 169 K HN 0.680 nan 8.250 nan 0.000 0.504 170 S N -0.824 114.938 115.700 0.104 0.000 2.726 170 S HA 0.229 4.711 4.470 0.019 0.000 0.308 170 S C 1.206 175.878 174.600 0.121 0.000 1.115 170 S CA -0.482 57.795 58.200 0.128 0.000 0.965 170 S CB 1.313 64.591 63.200 0.129 0.000 1.145 170 S HN 0.146 nan 8.310 nan 0.000 0.532 171 T N -2.270 112.377 114.554 0.155 0.000 3.035 171 T HA 0.156 4.518 4.350 0.019 0.000 0.268 171 T C 0.751 175.520 174.700 0.116 0.000 1.109 171 T CA 1.233 63.418 62.100 0.142 0.000 1.119 171 T CB -0.399 68.627 68.868 0.264 0.000 0.900 171 T HN 0.797 nan 8.240 nan 0.000 0.503 172 T N -0.158 114.463 114.554 0.111 0.000 2.816 172 T HA 0.610 4.972 4.350 0.019 0.000 0.299 172 T C -2.449 172.292 174.700 0.069 0.000 1.230 172 T CA -0.923 61.224 62.100 0.078 0.000 1.007 172 T CB 1.766 70.672 68.868 0.064 0.000 1.289 172 T HN 0.248 nan 8.240 nan 0.000 0.508 173 L N 2.478 123.731 121.223 0.050 0.000 2.482 173 L HA 0.697 5.049 4.340 0.019 0.000 0.269 173 L C -0.931 175.955 176.870 0.026 0.000 0.967 173 L CA -0.290 54.573 54.840 0.039 0.000 0.851 173 L CB 1.445 43.521 42.059 0.028 0.000 1.242 173 L HN 0.629 nan 8.230 nan 0.000 0.404 174 R N 3.857 124.374 120.500 0.027 0.000 2.562 174 R HA 0.869 5.221 4.340 0.019 0.000 0.298 174 R C -1.496 174.816 176.300 0.020 0.000 0.961 174 R CA -0.908 55.204 56.100 0.021 0.000 0.881 174 R CB 2.477 32.789 30.300 0.020 0.000 1.159 174 R HN 0.432 nan 8.270 nan 0.000 0.450 175 V N 1.642 121.567 119.914 0.019 0.000 2.789 175 V HA 0.145 4.277 4.120 0.019 0.000 0.311 175 V C -0.926 175.185 176.094 0.029 0.000 1.073 175 V CA -0.835 61.480 62.300 0.024 0.000 0.921 175 V CB 2.299 34.137 31.823 0.025 0.000 1.009 175 V HN 0.678 nan 8.190 nan 0.000 0.426 176 D N 3.532 123.950 120.400 0.030 0.000 2.443 176 D HA 0.310 4.961 4.640 0.019 0.000 0.221 176 D C 0.399 176.721 176.300 0.036 0.000 1.097 176 D CA -0.323 53.693 54.000 0.026 0.000 0.865 176 D CB 1.081 41.892 40.800 0.019 0.000 1.034 176 D HN 0.666 nan 8.370 nan 0.000 0.511 177 Q N 1.986 121.809 119.800 0.038 0.000 2.182 177 Q HA 0.258 4.610 4.340 0.019 0.000 0.270 177 Q C 0.685 176.687 176.000 0.004 0.000 0.861 177 Q CA -0.551 55.278 55.803 0.044 0.000 1.098 177 Q CB 0.524 29.321 28.738 0.098 0.000 1.188 177 Q HN 0.115 nan 8.270 nan 0.000 0.464 178 S N 1.336 117.036 115.700 0.000 0.000 2.365 178 S HA -0.177 4.305 4.470 0.019 0.000 0.225 178 S C 1.645 176.231 174.600 -0.023 0.000 1.039 178 S CA 1.272 59.465 58.200 -0.013 0.000 1.033 178 S CB -0.199 62.995 63.200 -0.009 0.000 0.887 178 S HN 0.603 nan 8.310 nan 0.000 0.447 179 I N 0.320 120.880 120.570 -0.016 0.000 2.399 179 I HA -0.207 3.974 4.170 0.019 0.000 0.254 179 I C 1.865 177.957 176.117 -0.042 0.000 1.146 179 I CA 1.095 62.382 61.300 -0.022 0.000 1.412 179 I CB 0.083 38.077 38.000 -0.009 0.000 1.076 179 I HN 0.249 nan 8.210 nan 0.000 0.432 180 L N -0.772 120.414 121.223 -0.062 0.000 2.467 180 L HA 0.055 4.406 4.340 0.019 0.000 0.213 180 L C 2.135 178.928 176.870 -0.128 0.000 1.053 180 L CA 1.663 56.433 54.840 -0.117 0.000 0.847 180 L CB -0.057 41.885 42.059 -0.195 0.000 1.075 180 L HN 0.292 nan 8.230 nan 0.000 0.479 181 T N -5.008 109.485 114.554 -0.102 0.000 3.010 181 T HA 0.398 4.759 4.350 0.019 0.000 0.257 181 T C 1.470 176.135 174.700 -0.058 0.000 1.020 181 T CA 0.386 62.431 62.100 -0.093 0.000 0.938 181 T CB 0.528 69.343 68.868 -0.089 0.000 1.049 181 T HN 0.471 nan 8.240 nan 0.000 0.522 182 G N 1.770 110.544 108.800 -0.045 0.000 2.347 182 G HA2 -0.326 3.646 3.960 0.019 0.000 0.247 182 G HA3 -0.326 3.646 3.960 0.019 0.000 0.247 182 G C 0.010 174.896 174.900 -0.024 0.000 1.037 182 G CA 0.229 45.309 45.100 -0.032 0.000 0.622 182 G HN 0.698 nan 8.290 nan 0.000 0.521 183 E N 1.643 121.829 120.200 -0.023 0.000 3.102 183 E HA 0.198 4.560 4.350 0.019 0.000 0.235 183 E C 1.797 178.391 176.600 -0.010 0.000 0.995 183 E CA 0.425 56.817 56.400 -0.014 0.000 0.950 183 E CB 0.164 29.858 29.700 -0.010 0.000 0.905 183 E HN 0.661 nan 8.360 nan 0.000 0.553 184 S N 2.209 117.903 115.700 -0.010 0.000 2.414 184 S HA -0.022 4.459 4.470 0.019 0.000 0.227 184 S C 0.853 175.448 174.600 -0.007 0.000 1.022 184 S CA -0.090 58.104 58.200 -0.010 0.000 0.958 184 S CB 0.471 63.663 63.200 -0.012 0.000 0.797 184 S HN 0.205 nan 8.310 nan 0.000 0.493 185 V N 3.406 123.316 119.914 -0.006 0.000 2.617 185 V HA 0.485 4.617 4.120 0.019 0.000 0.298 185 V C 0.642 176.736 176.094 0.001 0.000 1.048 185 V CA -0.547 61.750 62.300 -0.005 0.000 0.964 185 V CB 1.522 33.341 31.823 -0.007 0.000 1.004 185 V HN 0.662 nan 8.190 nan 0.000 0.466 186 S N 4.027 119.729 115.700 0.003 0.000 2.566 186 S HA 0.372 4.853 4.470 0.019 0.000 0.280 186 S C -0.338 174.268 174.600 0.010 0.000 1.343 186 S CA -0.302 57.903 58.200 0.009 0.000 1.036 186 S CB 1.083 64.289 63.200 0.009 0.000 0.866 186 S HN 1.323 nan 8.310 nan 0.000 0.526 187 V N 0.846 120.769 119.914 0.016 0.000 2.735 187 V HA 0.629 4.761 4.120 0.019 0.000 0.310 187 V C -0.170 175.933 176.094 0.015 0.000 1.061 187 V CA -1.280 61.030 62.300 0.016 0.000 0.913 187 V CB 0.979 32.815 31.823 0.021 0.000 1.005 187 V HN 0.950 nan 8.190 nan 0.000 0.428 188 I N 4.140 124.721 120.570 0.018 0.000 2.754 188 I HA 0.336 4.517 4.170 0.019 0.000 0.285 188 I C 0.467 176.588 176.117 0.006 0.000 1.166 188 I CA 0.210 61.524 61.300 0.023 0.000 1.417 188 I CB 0.592 38.615 38.000 0.038 0.000 1.382 188 I HN 0.641 nan 8.210 nan 0.000 0.588 189 K N 4.203 124.599 120.400 -0.006 0.000 2.400 189 K HA 0.614 4.945 4.320 0.019 0.000 0.246 189 K C -0.931 175.657 176.600 -0.019 0.000 0.995 189 K CA -0.847 55.389 56.287 -0.085 0.000 0.840 189 K CB 2.197 34.640 32.500 -0.095 0.000 1.293 189 K HN 0.751 nan 8.250 nan 0.000 0.445 190 H N -3.481 115.589 119.070 -0.000 0.000 2.942 190 H HA 0.394 4.962 4.556 0.019 0.000 0.316 190 H C 0.218 175.545 175.328 -0.001 0.000 1.323 190 H CA -0.706 55.343 56.048 0.002 0.000 1.144 190 H CB 0.764 30.529 29.762 0.004 0.000 1.866 190 H HN 0.504 nan 8.280 nan 0.000 0.545 191 T N -2.872 111.835 114.554 0.254 0.000 3.054 191 T HA 0.194 4.555 4.350 0.019 0.000 0.255 191 T C -0.052 174.766 174.700 0.197 0.000 1.035 191 T CA -0.473 61.718 62.100 0.152 0.000 0.941 191 T CB -0.110 68.805 68.868 0.079 0.000 1.026 191 T HN 0.466 nan 8.240 nan 0.000 0.533 192 E N 3.641 124.050 120.200 0.347 0.000 2.383 192 E HA 0.285 4.646 4.350 0.019 0.000 0.264 192 E C -2.435 174.292 176.600 0.211 0.000 1.050 192 E CA -2.550 53.947 56.400 0.162 0.000 0.896 192 E CB 0.555 30.219 29.700 -0.060 0.000 0.982 192 E HN 0.293 nan 8.360 nan 0.000 0.424 193 P HA -0.004 nan 4.420 nan 0.000 0.269 193 P C -0.243 177.136 177.300 0.131 0.000 1.215 193 P CA -0.125 63.033 63.100 0.097 0.000 0.780 193 P CB 0.459 32.186 31.700 0.044 0.000 0.898 194 V N -0.383 119.618 119.914 0.145 0.000 2.284 194 V HA 0.269 4.401 4.120 0.019 0.000 0.274 194 V C -1.927 174.250 176.094 0.139 0.000 1.023 194 V CA -2.241 60.160 62.300 0.168 0.000 0.808 194 V CB 0.837 32.788 31.823 0.213 0.000 1.035 194 V HN 0.257 nan 8.190 nan 0.000 0.445 195 P HA -0.180 nan 4.420 nan 0.000 0.218 195 P C 0.482 177.811 177.300 0.048 0.000 1.154 195 P CA 1.428 64.553 63.100 0.041 0.000 0.872 195 P CB 0.071 31.791 31.700 0.034 0.000 0.790 196 D N -0.886 119.571 120.400 0.094 0.000 2.363 196 D HA 0.009 4.660 4.640 0.019 0.000 0.263 196 D C -1.423 174.993 176.300 0.194 0.000 1.258 196 D CA -1.106 52.959 54.000 0.108 0.000 0.907 196 D CB 0.611 41.470 40.800 0.099 0.000 1.107 196 D HN 0.143 nan 8.370 nan 0.000 0.495 197 P HA -0.116 nan 4.420 nan 0.000 0.219 197 P C 1.396 178.799 177.300 0.173 0.000 1.150 197 P CA 0.472 63.639 63.100 0.112 0.000 0.814 197 P CB 0.250 31.958 31.700 0.013 0.000 0.787 198 R N 1.364 121.929 120.500 0.108 0.000 2.127 198 R HA -0.045 4.307 4.340 0.019 0.000 0.238 198 R C 0.664 177.005 176.300 0.069 0.000 1.134 198 R CA 1.052 57.197 56.100 0.074 0.000 0.975 198 R CB -1.428 28.900 30.300 0.047 0.000 0.865 198 R HN 0.033 nan 8.270 nan 0.000 0.447 199 A N 2.295 125.168 122.820 0.088 0.000 2.587 199 A HA 0.172 4.504 4.320 0.019 0.000 0.233 199 A C 0.789 178.354 177.584 -0.031 0.000 1.049 199 A CA 0.442 52.496 52.037 0.029 0.000 0.754 199 A CB -0.006 19.015 19.000 0.036 0.000 0.977 199 A HN 0.356 nan 8.150 nan 0.000 0.509 200 V N 1.429 121.325 119.914 -0.030 0.000 3.003 200 V HA 0.171 4.303 4.120 0.019 0.000 0.305 200 V C 1.205 177.259 176.094 -0.067 0.000 1.078 200 V CA -0.313 61.957 62.300 -0.050 0.000 1.083 200 V CB 0.300 32.100 31.823 -0.039 0.000 1.039 200 V HN 0.853 nan 8.190 nan 0.000 0.481 201 N N 1.678 120.319 118.700 -0.098 0.000 2.091 201 N HA -0.227 4.525 4.740 0.019 0.000 0.193 201 N C 1.643 177.152 175.510 -0.002 0.000 1.021 201 N CA 2.146 55.131 53.050 -0.107 0.000 0.862 201 N CB -0.552 37.706 38.487 -0.382 0.000 1.018 201 N HN 0.875 nan 8.380 nan 0.000 0.429 202 Q N 0.306 120.086 119.800 -0.032 0.000 2.297 202 Q HA -0.069 4.283 4.340 0.019 0.000 0.208 202 Q C 0.780 176.793 176.000 0.022 0.000 0.981 202 Q CA 0.960 56.767 55.803 0.006 0.000 0.876 202 Q CB 0.045 28.776 28.738 -0.012 0.000 0.921 202 Q HN 0.369 nan 8.270 nan 0.000 0.446 203 D N -0.286 120.119 120.400 0.009 0.000 2.354 203 D HA -0.022 4.630 4.640 0.019 0.000 0.209 203 D C -0.021 176.280 176.300 0.002 0.000 1.015 203 D CA 0.289 54.297 54.000 0.014 0.000 0.867 203 D CB 0.241 41.048 40.800 0.012 0.000 0.933 203 D HN 0.109 nan 8.370 nan 0.000 0.520 204 K N 1.662 122.059 120.400 -0.005 0.000 2.686 204 K HA 0.061 4.392 4.320 0.019 0.000 0.244 204 K C 0.784 177.339 176.600 -0.075 0.000 1.262 204 K CA 0.098 56.360 56.287 -0.042 0.000 1.199 204 K CB 0.015 32.540 32.500 0.043 0.000 1.428 204 K HN 0.110 nan 8.250 nan 0.000 0.247 205 K N 1.021 121.345 120.400 -0.127 0.000 2.525 205 K HA -0.059 4.273 4.320 0.019 0.000 0.192 205 K C 0.913 177.211 176.600 -0.502 0.000 1.029 205 K CA 0.507 56.637 56.287 -0.262 0.000 1.029 205 K CB 0.139 32.507 32.500 -0.220 0.000 0.814 205 K HN 0.340 nan 8.250 nan 0.000 0.503 206 N N -0.225 118.251 118.700 -0.374 0.000 2.204 206 N HA 0.045 4.797 4.740 0.019 0.000 0.219 206 N C -0.167 175.226 175.510 -0.195 0.000 1.151 206 N CA -0.027 52.853 53.050 -0.284 0.000 0.867 206 N CB 0.441 38.843 38.487 -0.141 0.000 1.043 206 N HN -0.107 nan 8.380 nan 0.000 0.516 207 M N 0.690 120.126 119.600 -0.273 0.000 2.662 207 M HA 0.492 4.984 4.480 0.019 0.000 0.310 207 M C -1.048 174.919 176.300 -0.554 0.000 1.204 207 M CA -0.580 54.479 55.300 -0.402 0.000 0.891 207 M CB 2.358 34.632 32.600 -0.544 0.000 1.732 207 M HN -0.086 nan 8.290 nan 0.000 0.467 208 L N 1.895 122.790 121.223 -0.547 0.000 2.381 208 L HA 0.557 4.909 4.340 0.019 0.000 0.274 208 L C -1.290 175.295 176.870 -0.476 0.000 0.988 208 L CA -0.450 54.127 54.840 -0.438 0.000 0.824 208 L CB 1.611 43.556 42.059 -0.190 0.000 1.263 208 L HN 0.454 nan 8.230 nan 0.000 0.410 209 F N 0.701 120.637 119.950 -0.024 0.000 2.404 209 F HA 0.315 4.853 4.527 0.019 0.000 0.339 209 F C 1.132 176.922 175.800 -0.016 0.000 1.105 209 F CA -0.384 57.603 58.000 -0.021 0.000 1.087 209 F CB 1.648 40.633 39.000 -0.025 0.000 1.143 209 F HN 0.375 nan 8.300 nan 0.000 0.491 210 S N 1.711 117.509 115.700 0.164 0.000 2.573 210 S HA 0.303 4.785 4.470 0.019 0.000 0.297 210 S C 1.163 175.818 174.600 0.092 0.000 1.280 210 S CA 1.134 59.389 58.200 0.092 0.000 1.061 210 S CB -0.121 63.121 63.200 0.071 0.000 0.812 210 S HN 1.222 nan 8.310 nan 0.000 0.500 211 G N 2.756 111.592 108.800 0.059 0.000 2.217 211 G HA2 -0.275 3.697 3.960 0.019 0.000 0.246 211 G HA3 -0.275 3.697 3.960 0.019 0.000 0.246 211 G C 0.311 175.239 174.900 0.046 0.000 0.990 211 G CA 0.576 45.702 45.100 0.044 0.000 0.627 211 G HN 1.301 nan 8.290 nan 0.000 0.522 212 T N -0.761 113.836 114.554 0.070 0.000 2.754 212 T HA 0.603 4.964 4.350 0.019 0.000 0.286 212 T C -0.101 174.626 174.700 0.044 0.000 0.997 212 T CA -0.067 62.072 62.100 0.065 0.000 0.982 212 T CB 1.582 70.515 68.868 0.109 0.000 1.027 212 T HN 0.209 nan 8.240 nan 0.000 0.529 213 N N -0.237 118.485 118.700 0.037 0.000 2.258 213 N HA 0.477 5.228 4.740 0.019 0.000 0.299 213 N C -1.155 174.371 175.510 0.027 0.000 1.047 213 N CA -0.683 52.384 53.050 0.027 0.000 0.814 213 N CB 1.496 39.996 38.487 0.023 0.000 1.413 213 N HN 0.606 nan 8.380 nan 0.000 0.478 214 I N 1.617 122.201 120.570 0.024 0.000 2.396 214 I HA 0.176 4.358 4.170 0.019 0.000 0.289 214 I C 1.268 177.403 176.117 0.030 0.000 1.056 214 I CA 0.042 61.357 61.300 0.025 0.000 1.365 214 I CB 1.112 39.126 38.000 0.023 0.000 1.407 214 I HN 0.692 nan 8.210 nan 0.000 0.509 215 A N 5.495 128.332 122.820 0.029 0.000 1.997 215 A HA 0.692 5.024 4.320 0.019 0.000 0.212 215 A C 0.849 178.455 177.584 0.036 0.000 1.178 215 A CA 0.791 52.846 52.037 0.029 0.000 0.698 215 A CB 0.195 19.207 19.000 0.021 0.000 0.842 215 A HN 0.716 nan 8.150 nan 0.000 0.458 216 A N -1.980 120.864 122.820 0.040 0.000 2.540 216 A HA 0.647 4.978 4.320 0.019 0.000 0.297 216 A C 0.215 177.835 177.584 0.059 0.000 1.056 216 A CA 0.159 52.228 52.037 0.052 0.000 0.700 216 A CB 0.208 19.233 19.000 0.042 0.000 1.280 216 A HN 2.135 nan 8.150 nan 0.000 0.398 217 G N 0.591 109.438 108.800 0.078 0.000 2.549 217 G HA2 0.280 4.251 3.960 0.019 0.000 0.404 217 G HA3 0.280 4.251 3.960 0.019 0.000 0.404 217 G C -0.756 174.187 174.900 0.073 0.000 1.292 217 G CA -0.171 44.978 45.100 0.082 0.000 0.935 217 G HN 1.098 nan 8.290 nan 0.000 0.512 218 K N -0.332 120.110 120.400 0.071 0.000 2.535 218 K HA 0.714 5.046 4.320 0.019 0.000 0.251 218 K C -0.348 176.285 176.600 0.056 0.000 0.942 218 K CA -0.025 56.299 56.287 0.061 0.000 0.798 218 K CB 1.661 34.203 32.500 0.071 0.000 1.267 218 K HN 1.740 nan 8.250 nan 0.000 0.434 219 A N 3.479 126.325 122.820 0.044 0.000 2.532 219 A HA 0.779 5.111 4.320 0.019 0.000 0.290 219 A C -1.938 175.672 177.584 0.043 0.000 1.143 219 A CA -0.763 51.297 52.037 0.039 0.000 0.728 219 A CB 1.515 20.526 19.000 0.020 0.000 1.317 219 A HN 0.610 nan 8.150 nan 0.000 0.414 220 L N 0.278 121.525 121.223 0.040 0.000 2.385 220 L HA 0.788 5.140 4.340 0.019 0.000 0.273 220 L C 0.221 177.104 176.870 0.021 0.000 0.990 220 L CA 0.228 55.097 54.840 0.047 0.000 0.821 220 L CB 2.099 44.190 42.059 0.054 0.000 1.279 220 L HN 1.092 nan 8.230 nan 0.000 0.412 221 G N 3.761 112.570 108.800 0.014 0.000 2.727 221 G HA2 0.528 4.500 3.960 0.019 0.000 0.289 221 G HA3 0.528 4.500 3.960 0.019 0.000 0.289 221 G C -2.067 172.824 174.900 -0.015 0.000 1.418 221 G CA -0.588 44.507 45.100 -0.007 0.000 0.818 221 G HN 0.617 nan 8.290 nan 0.000 0.486 222 I N 0.566 121.121 120.570 -0.025 0.000 2.441 222 I HA 0.522 4.704 4.170 0.019 0.000 0.295 222 I C -0.300 175.764 176.117 -0.088 0.000 0.994 222 I CA -0.986 60.281 61.300 -0.055 0.000 1.144 222 I CB 1.867 39.862 38.000 -0.009 0.000 1.314 222 I HN 0.234 nan 8.210 nan 0.000 0.445 223 V N 8.491 128.310 119.914 -0.158 0.000 2.479 223 V HA 0.158 4.289 4.120 0.019 0.000 0.281 223 V C 1.066 177.058 176.094 -0.170 0.000 1.031 223 V CA 0.585 62.791 62.300 -0.156 0.000 1.038 223 V CB 0.460 32.177 31.823 -0.176 0.000 0.981 223 V HN 0.984 nan 8.190 nan 0.000 0.478 224 A N 4.769 127.555 122.820 -0.056 0.000 1.862 224 A HA 0.218 4.550 4.320 0.019 0.000 0.211 224 A C 1.141 178.729 177.584 0.006 0.000 1.220 224 A CA 1.212 53.272 52.037 0.040 0.000 0.616 224 A CB -0.032 18.989 19.000 0.036 0.000 0.878 224 A HN 0.807 nan 8.150 nan 0.000 0.453 225 T N -2.618 111.924 114.554 -0.020 0.000 2.916 225 T HA 0.621 4.983 4.350 0.019 0.000 0.292 225 T C -0.332 174.351 174.700 -0.028 0.000 1.064 225 T CA 0.007 62.091 62.100 -0.026 0.000 1.011 225 T CB 1.649 70.531 68.868 0.023 0.000 1.152 225 T HN 0.632 nan 8.240 nan 0.000 0.510 226 T N -2.594 111.949 114.554 -0.019 0.000 2.716 226 T HA 0.799 5.160 4.350 0.019 0.000 0.286 226 T C 0.996 175.720 174.700 0.040 0.000 1.052 226 T CA -0.107 61.998 62.100 0.008 0.000 1.024 226 T CB 1.031 69.900 68.868 0.001 0.000 1.349 226 T HN 1.851 nan 8.240 nan 0.000 0.525 227 G N 0.199 109.028 108.800 0.048 0.000 2.651 227 G HA2 -0.317 3.655 3.960 0.019 0.000 0.315 227 G HA3 -0.317 3.655 3.960 0.019 0.000 0.315 227 G C 1.015 175.946 174.900 0.051 0.000 1.258 227 G CA 0.941 46.076 45.100 0.058 0.000 1.002 227 G HN 1.489 nan 8.290 nan 0.000 0.551 228 V N 1.078 121.025 119.914 0.055 0.000 2.667 228 V HA -0.073 4.059 4.120 0.019 0.000 0.252 228 V C 2.870 178.992 176.094 0.047 0.000 1.065 228 V CA 2.720 65.047 62.300 0.046 0.000 1.083 228 V CB -0.163 31.688 31.823 0.045 0.000 0.692 228 V HN 0.671 nan 8.190 nan 0.000 0.468 229 S N -0.686 115.048 115.700 0.056 0.000 2.555 229 S HA -0.054 4.428 4.470 0.019 0.000 0.230 229 S C 1.044 175.677 174.600 0.055 0.000 0.978 229 S CA 0.322 58.555 58.200 0.056 0.000 0.934 229 S CB -0.438 62.801 63.200 0.065 0.000 0.766 229 S HN 0.653 nan 8.310 nan 0.000 0.533 230 T N 2.706 117.292 114.554 0.053 0.000 2.939 230 T HA -0.008 4.354 4.350 0.019 0.000 0.319 230 T C 1.299 176.033 174.700 0.057 0.000 1.082 230 T CA 0.036 62.175 62.100 0.064 0.000 1.133 230 T CB 0.554 69.456 68.868 0.056 0.000 1.019 230 T HN 0.185 nan 8.240 nan 0.000 0.548 231 E N 1.725 121.976 120.200 0.085 0.000 2.085 231 E HA -0.113 4.249 4.350 0.019 0.000 0.194 231 E C 1.773 178.350 176.600 -0.040 0.000 0.994 231 E CA 1.189 57.600 56.400 0.018 0.000 0.801 231 E CB -0.254 29.449 29.700 0.006 0.000 0.743 231 E HN 0.734 nan 8.360 nan 0.000 0.453 232 I N -0.726 119.833 120.570 -0.019 0.000 2.546 232 I HA -0.061 4.121 4.170 0.019 0.000 0.255 232 I C 1.915 178.027 176.117 -0.007 0.000 1.163 232 I CA 1.069 62.353 61.300 -0.026 0.000 1.457 232 I CB -0.250 37.744 38.000 -0.010 0.000 1.092 232 I HN 0.244 nan 8.210 nan 0.000 0.434 233 G N 0.802 109.609 108.800 0.012 0.000 2.422 233 G HA2 -0.253 3.719 3.960 0.019 0.000 0.218 233 G HA3 -0.253 3.719 3.960 0.019 0.000 0.218 233 G C 1.660 176.566 174.900 0.010 0.000 1.146 233 G CA 0.601 45.711 45.100 0.016 0.000 0.769 233 G HN 0.347 nan 8.290 nan 0.000 0.547 234 K N -0.213 120.191 120.400 0.006 0.000 2.147 234 K HA 0.075 4.407 4.320 0.019 0.000 0.205 234 K C 1.837 178.434 176.600 -0.005 0.000 1.049 234 K CA 0.807 57.096 56.287 0.003 0.000 0.936 234 K CB -0.056 32.444 32.500 0.000 0.000 0.722 234 K HN 0.384 nan 8.250 nan 0.000 0.446 235 I N -0.088 120.473 120.570 -0.015 0.000 4.018 235 I HA 0.045 4.226 4.170 0.019 0.000 0.337 235 I C 1.724 177.830 176.117 -0.018 0.000 1.327 235 I CA -0.149 61.138 61.300 -0.021 0.000 1.100 235 I CB 0.138 38.115 38.000 -0.037 0.000 1.025 235 I HN 0.017 nan 8.210 nan 0.000 0.396 236 R N 1.349 121.842 120.500 -0.012 0.000 2.082 236 R HA -0.170 4.182 4.340 0.019 0.000 0.234 236 R C 1.625 177.918 176.300 -0.011 0.000 1.136 236 R CA 2.023 58.116 56.100 -0.012 0.000 0.935 236 R CB -0.374 29.922 30.300 -0.007 0.000 0.842 236 R HN 0.272 nan 8.270 nan 0.000 0.430 237 D N 1.007 121.402 120.400 -0.008 0.000 2.170 237 D HA -0.171 4.481 4.640 0.019 0.000 0.193 237 D C 0.324 176.619 176.300 -0.009 0.000 1.004 237 D CA 1.360 55.356 54.000 -0.007 0.000 0.860 237 D CB -0.221 40.578 40.800 -0.003 0.000 0.931 237 D HN 0.336 nan 8.370 nan 0.000 0.448 238 Q N -0.287 119.506 119.800 -0.011 0.000 2.288 238 Q HA 0.455 4.806 4.340 0.019 0.000 0.258 238 Q C -0.237 175.754 176.000 -0.015 0.000 0.957 238 Q CA 0.158 55.954 55.803 -0.012 0.000 0.919 238 Q CB 1.273 30.004 28.738 -0.013 0.000 1.185 238 Q HN -0.032 nan 8.270 nan 0.000 0.408 239 M N 1.187 120.778 119.600 -0.014 0.000 2.564 239 M HA 0.157 4.648 4.480 0.019 0.000 0.278 239 M C -1.667 174.626 176.300 -0.013 0.000 0.975 239 M CA -0.733 54.558 55.300 -0.015 0.000 0.850 239 M CB 1.180 33.770 32.600 -0.018 0.000 1.845 239 M HN 0.671 nan 8.290 nan 0.000 0.561 240 A N 3.080 125.893 122.820 -0.012 0.000 2.535 240 A HA 0.528 4.859 4.320 0.019 0.000 0.290 240 A C 1.059 178.636 177.584 -0.011 0.000 1.270 240 A CA 0.633 52.664 52.037 -0.010 0.000 0.937 240 A CB -0.828 18.166 19.000 -0.009 0.000 1.096 240 A HN 1.918 nan 8.150 nan 0.000 0.534 241 A N 3.627 126.441 122.820 -0.011 0.000 1.617 241 A HA -0.062 4.270 4.320 0.019 0.000 0.240 241 A C 1.328 178.904 177.584 -0.013 0.000 1.149 241 A CA 1.094 53.124 52.037 -0.012 0.000 0.833 241 A CB -1.588 17.406 19.000 -0.010 0.000 1.132 241 A HN 1.996 nan 8.150 nan 0.000 0.275 242 T N -0.339 114.206 114.554 -0.015 0.000 3.650 242 T HA 0.247 4.609 4.350 0.019 0.000 0.254 242 T C 0.284 174.975 174.700 -0.015 0.000 1.130 242 T CA 1.055 63.146 62.100 -0.015 0.000 0.984 242 T CB -0.443 68.415 68.868 -0.017 0.000 1.039 242 T HN 0.754 nan 8.240 nan 0.000 0.586 243 E N 0.595 120.786 120.200 -0.014 0.000 2.264 243 E HA 0.593 4.955 4.350 0.019 0.000 0.260 243 E C -0.393 176.200 176.600 -0.012 0.000 0.961 243 E CA -1.035 55.356 56.400 -0.014 0.000 0.834 243 E CB 1.156 30.847 29.700 -0.016 0.000 1.230 243 E HN 0.495 nan 8.360 nan 0.000 0.412 244 Q N -0.409 119.384 119.800 -0.012 0.000 2.605 244 Q HA 0.381 4.732 4.340 0.019 0.000 0.296 244 Q C -1.563 174.432 176.000 -0.008 0.000 1.056 244 Q CA -1.088 54.709 55.803 -0.010 0.000 0.778 244 Q CB 0.614 29.345 28.738 -0.012 0.000 1.497 244 Q HN 0.455 nan 8.270 nan 0.000 0.443 245 D N -0.672 119.724 120.400 -0.007 0.000 2.383 245 D HA 0.289 4.941 4.640 0.019 0.000 0.248 245 D C -0.458 175.839 176.300 -0.006 0.000 1.170 245 D CA -0.918 53.080 54.000 -0.004 0.000 0.977 245 D CB 0.755 41.554 40.800 -0.002 0.000 1.120 245 D HN 0.571 nan 8.370 nan 0.000 0.481 246 K N -0.953 119.445 120.400 -0.004 0.000 2.117 246 K HA 0.309 4.641 4.320 0.019 0.000 0.240 246 K C 0.047 176.645 176.600 -0.003 0.000 1.031 246 K CA -0.861 55.423 56.287 -0.005 0.000 0.909 246 K CB 0.313 32.811 32.500 -0.003 0.000 1.097 246 K HN 0.616 nan 8.250 nan 0.000 0.492 247 T N -2.109 112.442 114.554 -0.005 0.000 2.899 247 T HA 0.142 4.504 4.350 0.019 0.000 0.295 247 T C -1.862 172.842 174.700 0.006 0.000 1.033 247 T CA -1.666 60.432 62.100 -0.003 0.000 1.084 247 T CB 0.977 69.840 68.868 -0.008 0.000 0.979 247 T HN 0.322 nan 8.240 nan 0.000 0.532 248 P HA -0.183 nan 4.420 nan 0.000 0.218 248 P C 1.738 179.055 177.300 0.028 0.000 1.165 248 P CA 1.024 64.133 63.100 0.014 0.000 0.922 248 P CB -0.076 31.628 31.700 0.007 0.000 0.794 249 L N -1.038 120.205 121.223 0.033 0.000 2.131 249 L HA -0.205 4.147 4.340 0.019 0.000 0.210 249 L C 2.574 179.472 176.870 0.047 0.000 1.092 249 L CA 1.611 56.486 54.840 0.057 0.000 0.759 249 L CB -0.645 41.461 42.059 0.078 0.000 0.903 249 L HN -0.055 nan 8.230 nan 0.000 0.435 250 Q N -0.650 119.165 119.800 0.026 0.000 2.079 250 Q HA -0.264 4.088 4.340 0.019 0.000 0.200 250 Q C 2.201 178.220 176.000 0.033 0.000 0.974 250 Q CA 1.959 57.773 55.803 0.018 0.000 0.840 250 Q CB -0.023 28.716 28.738 0.001 0.000 0.898 250 Q HN 0.646 nan 8.270 nan 0.000 0.430 251 Q N -0.096 119.723 119.800 0.032 0.000 2.230 251 Q HA -0.162 4.190 4.340 0.019 0.000 0.202 251 Q C 1.851 177.886 176.000 0.057 0.000 0.963 251 Q CA 1.225 57.050 55.803 0.037 0.000 0.866 251 Q CB 0.041 28.795 28.738 0.027 0.000 0.931 251 Q HN 0.170 nan 8.270 nan 0.000 0.452 252 K N 0.592 121.031 120.400 0.065 0.000 1.984 252 K HA -0.175 4.157 4.320 0.019 0.000 0.209 252 K C 1.713 178.392 176.600 0.133 0.000 1.046 252 K CA 1.042 57.382 56.287 0.089 0.000 0.934 252 K CB -0.033 32.516 32.500 0.083 0.000 0.717 252 K HN 0.021 nan 8.250 nan 0.000 0.438 253 L N 1.862 123.160 121.223 0.125 0.000 2.083 253 L HA -0.150 4.202 4.340 0.019 0.000 0.209 253 L C 2.088 179.076 176.870 0.197 0.000 1.083 253 L CA 1.862 56.816 54.840 0.189 0.000 0.752 253 L CB -1.040 41.091 42.059 0.120 0.000 0.899 253 L HN 0.406 nan 8.230 nan 0.000 0.433 254 D N -0.213 120.254 120.400 0.112 0.000 2.092 254 D HA -0.264 4.388 4.640 0.019 0.000 0.193 254 D C 2.169 178.515 176.300 0.076 0.000 0.994 254 D CA 1.534 55.579 54.000 0.075 0.000 0.828 254 D CB 0.026 40.854 40.800 0.046 0.000 0.963 254 D HN 0.423 nan 8.370 nan 0.000 0.450 255 E N -1.492 118.764 120.200 0.092 0.000 2.118 255 E HA -0.205 4.157 4.350 0.019 0.000 0.195 255 E C 2.047 178.718 176.600 0.118 0.000 0.992 255 E CA 0.769 57.221 56.400 0.087 0.000 0.804 255 E CB -0.362 29.392 29.700 0.091 0.000 0.741 255 E HN 0.389 nan 8.360 nan 0.000 0.458 256 F N 0.609 120.582 119.950 0.038 0.000 2.186 256 F HA 0.008 4.547 4.527 0.019 0.000 0.299 256 F C 1.941 177.768 175.800 0.045 0.000 1.090 256 F CA 1.818 59.846 58.000 0.047 0.000 1.307 256 F CB -0.672 38.365 39.000 0.062 0.000 1.019 256 F HN 0.012 nan 8.300 nan 0.000 0.489 257 G N -0.502 108.192 108.800 -0.177 0.000 2.422 257 G HA2 -0.283 3.688 3.960 0.019 0.000 0.218 257 G HA3 -0.283 3.688 3.960 0.019 0.000 0.218 257 G C 1.450 176.235 174.900 -0.192 0.000 1.140 257 G CA 0.884 45.832 45.100 -0.254 0.000 0.775 257 G HN 0.420 nan 8.290 nan 0.000 0.545 258 E N 1.198 121.338 120.200 -0.100 0.000 2.051 258 E HA -0.202 4.160 4.350 0.019 0.000 0.192 258 E C 2.616 179.165 176.600 -0.084 0.000 0.991 258 E CA 1.796 58.158 56.400 -0.064 0.000 0.799 258 E CB -0.382 29.306 29.700 -0.020 0.000 0.748 258 E HN 0.698 nan 8.360 nan 0.000 0.449 259 Q N -0.601 119.139 119.800 -0.099 0.000 2.451 259 Q HA -0.025 4.326 4.340 0.019 0.000 0.206 259 Q C 1.705 177.618 176.000 -0.145 0.000 0.947 259 Q CA 0.401 56.154 55.803 -0.084 0.000 0.937 259 Q CB 0.021 28.743 28.738 -0.027 0.000 1.025 259 Q HN 0.258 nan 8.270 nan 0.000 0.511 260 L N 1.027 122.084 121.223 -0.275 0.000 2.270 260 L HA -0.001 4.350 4.340 0.019 0.000 0.210 260 L C 2.481 179.254 176.870 -0.160 0.000 1.104 260 L CA 1.508 56.179 54.840 -0.281 0.000 0.804 260 L CB -0.318 41.444 42.059 -0.495 0.000 0.937 260 L HN 0.331 nan 8.230 nan 0.000 0.450 261 S N -0.979 114.641 115.700 -0.133 0.000 2.419 261 S HA -0.196 4.286 4.470 0.019 0.000 0.233 261 S C 2.035 176.601 174.600 -0.057 0.000 1.016 261 S CA 1.163 59.314 58.200 -0.082 0.000 0.974 261 S CB -0.049 63.113 63.200 -0.063 0.000 0.786 261 S HN 0.425 nan 8.310 nan 0.000 0.492 262 K N 0.404 120.772 120.400 -0.054 0.000 1.965 262 K HA -0.021 4.310 4.320 0.019 0.000 0.214 262 K C 2.098 178.682 176.600 -0.027 0.000 1.046 262 K CA 1.683 57.951 56.287 -0.032 0.000 0.944 262 K CB -0.699 31.787 32.500 -0.024 0.000 0.726 262 K HN 0.227 nan 8.250 nan 0.000 0.441 263 V N 1.932 121.827 119.914 -0.032 0.000 2.392 263 V HA -0.254 3.878 4.120 0.019 0.000 0.249 263 V C 2.194 178.270 176.094 -0.030 0.000 1.059 263 V CA 1.668 63.956 62.300 -0.020 0.000 1.051 263 V CB -0.497 31.320 31.823 -0.011 0.000 0.658 263 V HN 0.300 nan 8.190 nan 0.000 0.455 264 I N -0.392 120.150 120.570 -0.046 0.000 2.233 264 I HA -0.168 4.013 4.170 0.019 0.000 0.243 264 I C 2.593 178.693 176.117 -0.027 0.000 1.093 264 I CA 1.323 62.594 61.300 -0.049 0.000 1.380 264 I CB -0.448 37.513 38.000 -0.065 0.000 1.067 264 I HN 0.232 nan 8.210 nan 0.000 0.413 265 S N 1.212 116.898 115.700 -0.025 0.000 2.380 265 S HA -0.192 4.290 4.470 0.019 0.000 0.229 265 S C 1.980 176.587 174.600 0.012 0.000 1.043 265 S CA 1.478 59.672 58.200 -0.011 0.000 1.038 265 S CB -0.469 62.723 63.200 -0.014 0.000 0.872 265 S HN 0.320 nan 8.310 nan 0.000 0.456 266 L N 0.786 122.019 121.223 0.016 0.000 2.005 266 L HA -0.070 4.281 4.340 0.019 0.000 0.207 266 L C 2.277 179.191 176.870 0.074 0.000 1.072 266 L CA 1.273 56.138 54.840 0.041 0.000 0.744 266 L CB -0.640 41.439 42.059 0.034 0.000 0.895 266 L HN 0.275 nan 8.230 nan 0.000 0.433 267 I N -0.728 119.870 120.570 0.047 0.000 2.423 267 I HA -0.336 3.845 4.170 0.019 0.000 0.254 267 I C 2.611 178.829 176.117 0.168 0.000 1.151 267 I CA 0.922 62.264 61.300 0.070 0.000 1.421 267 I CB -0.348 37.598 38.000 -0.090 0.000 1.079 267 I HN 0.435 nan 8.210 nan 0.000 0.431 268 C N -0.136 119.226 119.300 0.103 0.000 2.476 268 C HA -0.093 4.379 4.460 0.019 0.000 0.278 268 C C 2.859 177.946 174.990 0.161 0.000 1.274 268 C CA 0.456 59.541 59.018 0.111 0.000 1.713 268 C CB -0.542 27.217 27.740 0.030 0.000 2.039 268 C HN 0.335 nan 8.230 nan 0.000 0.484 269 V N 1.526 121.517 119.914 0.128 0.000 2.392 269 V HA -0.219 3.913 4.120 0.019 0.000 0.249 269 V C 2.657 178.905 176.094 0.256 0.000 1.059 269 V CA 2.152 64.544 62.300 0.154 0.000 1.051 269 V CB -1.249 30.619 31.823 0.076 0.000 0.658 269 V HN 0.611 nan 8.190 nan 0.000 0.455 270 A N -0.125 122.839 122.820 0.240 0.000 1.933 270 A HA -0.143 4.189 4.320 0.019 0.000 0.218 270 A C 2.384 180.111 177.584 0.238 0.000 1.175 270 A CA 1.979 54.177 52.037 0.268 0.000 0.628 270 A CB -0.593 18.614 19.000 0.345 0.000 0.814 270 A HN 0.359 nan 8.150 nan 0.000 0.444 271 V N -2.269 117.819 119.914 0.290 0.000 2.295 271 V HA -0.269 3.863 4.120 0.019 0.000 0.246 271 V C 2.183 178.388 176.094 0.185 0.000 1.049 271 V CA 1.844 64.249 62.300 0.175 0.000 1.024 271 V CB -1.040 30.934 31.823 0.252 0.000 0.648 271 V HN 0.858 nan 8.190 nan 0.000 0.447 272 W N 0.120 121.472 121.300 0.086 0.000 2.374 272 W HA -0.133 4.539 4.660 0.019 0.000 0.288 272 W C 2.056 178.577 176.519 0.004 0.000 1.218 272 W CA 1.509 58.898 57.345 0.073 0.000 1.245 272 W CB 0.004 29.524 29.460 0.099 0.000 1.126 272 W HN 0.155 nan 8.180 nan 0.000 0.545 273 L N -0.599 120.787 121.223 0.273 0.000 2.145 273 L HA -0.056 4.296 4.340 0.019 0.000 0.201 273 L C 2.278 179.120 176.870 -0.046 0.000 1.075 273 L CA 0.680 55.596 54.840 0.127 0.000 0.773 273 L CB -0.761 41.443 42.059 0.242 0.000 0.936 273 L HN -0.149 nan 8.230 nan 0.000 0.451 274 I N 0.183 120.725 120.570 -0.047 0.000 2.502 274 I HA -0.272 3.909 4.170 0.019 0.000 0.258 274 I C 1.123 177.140 176.117 -0.167 0.000 1.172 274 I CA 0.909 62.135 61.300 -0.122 0.000 1.430 274 I CB -0.290 37.565 38.000 -0.242 0.000 1.086 274 I HN 0.428 nan 8.210 nan 0.000 0.440 275 N N -0.432 118.115 118.700 -0.255 0.000 3.357 275 N HA 0.299 5.051 4.740 0.019 0.000 0.359 275 N C 0.593 175.787 175.510 -0.527 0.000 1.477 275 N CA -0.734 52.081 53.050 -0.392 0.000 0.645 275 N CB 0.517 38.587 38.487 -0.695 0.000 1.703 275 N HN -0.166 nan 8.380 nan 0.000 0.597 276 I N 0.032 120.147 120.570 -0.759 0.000 5.852 276 I HA -0.202 3.979 4.170 0.019 0.000 0.156 276 I C 1.229 177.218 176.117 -0.214 0.000 1.816 276 I CA 0.955 61.897 61.300 -0.596 0.000 2.055 276 I CB -1.380 36.032 38.000 -0.981 0.000 3.396 276 I HN 0.781 nan 8.210 nan 0.000 0.179 277 G N -1.665 107.014 108.800 -0.202 0.000 2.662 277 G HA2 -0.043 3.929 3.960 0.019 0.000 0.212 277 G HA3 -0.043 3.929 3.960 0.019 0.000 0.212 277 G C 0.868 175.655 174.900 -0.188 0.000 1.141 277 G CA 0.308 45.321 45.100 -0.145 0.000 0.797 277 G HN 0.590 nan 8.290 nan 0.000 0.531 278 H N -0.327 118.639 119.070 -0.174 0.000 2.607 278 H HA 0.237 4.805 4.556 0.019 0.000 0.288 278 H C 1.367 176.751 175.328 0.093 0.000 1.058 278 H CA -0.506 55.492 56.048 -0.085 0.000 1.178 278 H CB 0.014 29.694 29.762 -0.136 0.000 1.340 278 H HN 0.231 nan 8.280 nan 0.000 0.591 279 F N 1.640 121.580 119.950 -0.016 0.000 2.060 279 F HA -0.143 4.396 4.527 0.019 0.000 0.295 279 F C 1.327 177.221 175.800 0.158 0.000 1.120 279 F CA 1.336 59.367 58.000 0.052 0.000 1.205 279 F CB -0.241 38.738 39.000 -0.035 0.000 0.986 279 F HN 0.153 nan 8.300 nan 0.000 0.470 280 N N 0.817 119.695 118.700 0.295 0.000 2.449 280 N HA -0.030 4.722 4.740 0.019 0.000 0.191 280 N C -0.306 175.287 175.510 0.138 0.000 1.161 280 N CA 0.226 53.359 53.050 0.139 0.000 0.863 280 N CB -0.743 37.749 38.487 0.009 0.000 0.980 280 N HN 0.245 nan 8.380 nan 0.000 0.458 281 D N 0.288 120.780 120.400 0.154 0.000 2.362 281 D HA 0.032 4.683 4.640 0.019 0.000 0.238 281 D C -1.258 175.033 176.300 -0.016 0.000 1.212 281 D CA -1.220 52.819 54.000 0.065 0.000 0.902 281 D CB 0.465 41.294 40.800 0.049 0.000 1.180 281 D HN 0.011 nan 8.370 nan 0.000 0.445 282 P HA -0.082 nan 4.420 nan 0.000 0.231 282 P C 0.996 178.236 177.300 -0.100 0.000 1.158 282 P CA 0.464 63.554 63.100 -0.018 0.000 0.763 282 P CB 0.260 31.976 31.700 0.026 0.000 0.805 283 V N -0.672 119.083 119.914 -0.265 0.000 2.453 283 V HA -0.183 3.949 4.120 0.019 0.000 0.247 283 V C 1.255 177.132 176.094 -0.361 0.000 1.048 283 V CA 1.863 63.934 62.300 -0.382 0.000 1.049 283 V CB -1.488 29.985 31.823 -0.583 0.000 0.672 283 V HN 0.334 nan 8.190 nan 0.000 0.457 284 H N -0.670 118.396 119.070 -0.007 0.000 2.469 284 H HA 0.571 5.139 4.556 0.019 0.000 0.286 284 H C 1.485 176.838 175.328 0.042 0.000 1.106 284 H CA 0.335 56.390 56.048 0.011 0.000 1.055 284 H CB 0.136 29.915 29.762 0.028 0.000 1.618 284 H HN 0.306 nan 8.280 nan 0.000 0.559 285 G N 0.437 109.281 108.800 0.073 0.000 2.184 285 G HA2 -0.259 3.713 3.960 0.019 0.000 0.264 285 G HA3 -0.259 3.713 3.960 0.019 0.000 0.264 285 G C 1.360 176.317 174.900 0.094 0.000 0.975 285 G CA 0.382 45.526 45.100 0.073 0.000 0.642 285 G HN 1.326 nan 8.290 nan 0.000 0.536 286 G N -1.176 107.708 108.800 0.140 0.000 2.179 286 G HA2 0.009 3.981 3.960 0.019 0.000 0.260 286 G HA3 0.009 3.981 3.960 0.019 0.000 0.260 286 G C 0.716 175.684 174.900 0.112 0.000 0.977 286 G CA 1.464 46.642 45.100 0.131 0.000 0.641 286 G HN 2.225 nan 8.290 nan 0.000 0.533 287 S N -0.428 115.355 115.700 0.139 0.000 2.558 287 S HA 0.220 4.702 4.470 0.019 0.000 0.287 287 S C 1.125 175.720 174.600 -0.008 0.000 1.321 287 S CA 0.893 59.154 58.200 0.102 0.000 1.048 287 S CB 0.006 63.215 63.200 0.015 0.000 0.844 287 S HN 1.303 nan 8.310 nan 0.000 0.512 288 W N 4.901 126.052 121.300 -0.248 0.000 3.466 288 W HA 0.460 5.132 4.660 0.019 0.000 0.323 288 W C 0.165 176.670 176.519 -0.024 0.000 1.264 288 W CA -0.399 56.595 57.345 -0.584 0.000 1.750 288 W CB -0.382 28.863 29.460 -0.357 0.000 1.040 288 W HN 0.537 nan 8.180 nan 0.000 0.742 289 I N -0.464 120.084 120.570 -0.038 0.000 4.317 289 I HA 0.074 4.255 4.170 0.019 0.000 0.289 289 I C 2.542 178.776 176.117 0.196 0.000 1.164 289 I CA -0.503 60.852 61.300 0.091 0.000 1.312 289 I CB -0.176 37.596 38.000 -0.379 0.000 1.569 289 I HN -0.217 nan 8.210 nan 0.000 0.450 290 R N 1.469 122.048 120.500 0.132 0.000 2.096 290 R HA -0.146 4.205 4.340 0.019 0.000 0.240 290 R C 2.217 178.448 176.300 -0.115 0.000 1.139 290 R CA 2.009 58.129 56.100 0.034 0.000 0.952 290 R CB -0.726 29.612 30.300 0.062 0.000 0.854 290 R HN 0.453 nan 8.270 nan 0.000 0.436 291 G N 0.439 109.197 108.800 -0.070 0.000 2.432 291 G HA2 -0.238 3.734 3.960 0.019 0.000 0.219 291 G HA3 -0.238 3.734 3.960 0.019 0.000 0.219 291 G C 1.521 176.077 174.900 -0.574 0.000 1.135 291 G CA 0.769 45.587 45.100 -0.470 0.000 0.767 291 G HN 0.430 nan 8.290 nan 0.000 0.550 292 A N 0.729 122.927 122.820 -1.038 0.000 1.930 292 A HA 0.094 4.425 4.320 0.019 0.000 0.217 292 A C 2.361 179.946 177.584 0.002 0.000 1.175 292 A CA 1.137 52.784 52.037 -0.651 0.000 0.627 292 A CB -0.284 18.437 19.000 -0.465 0.000 0.815 292 A HN 0.379 nan 8.150 nan 0.000 0.443 293 I N -2.076 118.495 120.570 0.002 0.000 2.353 293 I HA -0.207 3.974 4.170 0.019 0.000 0.248 293 I C 2.427 178.667 176.117 0.204 0.000 1.119 293 I CA 1.410 62.790 61.300 0.133 0.000 1.417 293 I CB -0.367 37.664 38.000 0.053 0.000 1.078 293 I HN 0.543 nan 8.210 nan 0.000 0.421 294 Y N 1.029 121.303 120.300 -0.044 0.000 2.114 294 Y HA -0.317 4.244 4.550 0.019 0.000 0.284 294 Y C 2.352 178.213 175.900 -0.065 0.000 1.143 294 Y CA 1.714 59.761 58.100 -0.088 0.000 1.135 294 Y CB -0.609 37.708 38.460 -0.238 0.000 0.980 294 Y HN 0.033 nan 8.280 nan 0.000 0.499 295 Y N -1.085 119.223 120.300 0.012 0.000 2.421 295 Y HA -0.201 4.361 4.550 0.019 0.000 0.292 295 Y C 2.180 178.161 175.900 0.134 0.000 1.136 295 Y CA 1.468 59.547 58.100 -0.035 0.000 1.255 295 Y CB -0.582 37.820 38.460 -0.098 0.000 0.991 295 Y HN 0.336 nan 8.280 nan 0.000 0.552 296 F N 0.877 120.980 119.950 0.255 0.000 2.186 296 F HA -0.143 4.396 4.527 0.019 0.000 0.299 296 F C 1.974 177.792 175.800 0.029 0.000 1.090 296 F CA 1.522 59.661 58.000 0.232 0.000 1.307 296 F CB -0.239 38.864 39.000 0.173 0.000 1.019 296 F HN -0.201 nan 8.300 nan 0.000 0.489 297 K N 0.350 120.666 120.400 -0.141 0.000 2.148 297 K HA -0.078 4.254 4.320 0.019 0.000 0.204 297 K C 2.141 178.534 176.600 -0.346 0.000 1.050 297 K CA 1.491 57.597 56.287 -0.303 0.000 0.942 297 K CB -0.226 32.137 32.500 -0.229 0.000 0.724 297 K HN 0.366 nan 8.250 nan 0.000 0.446 298 I N 0.864 121.202 120.570 -0.387 0.000 2.394 298 I HA -0.255 3.927 4.170 0.019 0.000 0.251 298 I C 2.408 178.429 176.117 -0.159 0.000 1.136 298 I CA 0.754 61.860 61.300 -0.323 0.000 1.425 298 I CB -0.298 37.460 38.000 -0.403 0.000 1.079 298 I HN 0.140 nan 8.210 nan 0.000 0.425 299 A N 0.617 123.366 122.820 -0.118 0.000 1.832 299 A HA -0.140 4.191 4.320 0.019 0.000 0.214 299 A C 2.407 179.892 177.584 -0.166 0.000 1.200 299 A CA 1.539 53.533 52.037 -0.072 0.000 0.610 299 A CB -1.048 17.942 19.000 -0.017 0.000 0.842 299 A HN 0.166 nan 8.150 nan 0.000 0.444 300 V N 0.151 119.869 119.914 -0.328 0.000 2.282 300 V HA -0.332 3.799 4.120 0.019 0.000 0.249 300 V C 3.080 179.062 176.094 -0.186 0.000 1.057 300 V CA 2.325 64.438 62.300 -0.311 0.000 1.032 300 V CB -1.318 30.227 31.823 -0.463 0.000 0.645 300 V HN 0.642 nan 8.190 nan 0.000 0.447 301 A N -0.613 122.101 122.820 -0.177 0.000 1.933 301 A HA -0.194 4.138 4.320 0.019 0.000 0.218 301 A C 2.136 179.672 177.584 -0.079 0.000 1.175 301 A CA 2.022 53.993 52.037 -0.110 0.000 0.628 301 A CB -0.571 18.364 19.000 -0.109 0.000 0.814 301 A HN 0.457 nan 8.150 nan 0.000 0.444 302 L N -0.488 120.688 121.223 -0.079 0.000 2.201 302 L HA -0.021 4.330 4.340 0.019 0.000 0.212 302 L C 2.585 179.423 176.870 -0.055 0.000 1.105 302 L CA 1.772 56.584 54.840 -0.047 0.000 0.775 302 L CB -0.715 41.338 42.059 -0.010 0.000 0.913 302 L HN 0.359 nan 8.230 nan 0.000 0.440 303 A N -1.310 121.469 122.820 -0.068 0.000 1.854 303 A HA -0.114 4.217 4.320 0.019 0.000 0.214 303 A C 2.222 179.769 177.584 -0.062 0.000 1.192 303 A CA 1.753 53.750 52.037 -0.067 0.000 0.611 303 A CB -1.051 17.903 19.000 -0.078 0.000 0.832 303 A HN 0.212 nan 8.150 nan 0.000 0.442 304 V N 0.184 120.062 119.914 -0.060 0.000 2.469 304 V HA -0.287 3.845 4.120 0.019 0.000 0.251 304 V C 2.992 179.058 176.094 -0.047 0.000 1.064 304 V CA 1.958 64.231 62.300 -0.044 0.000 1.066 304 V CB -1.328 30.475 31.823 -0.034 0.000 0.667 304 V HN 0.632 nan 8.190 nan 0.000 0.461 305 A N 0.122 122.910 122.820 -0.054 0.000 1.845 305 A HA -0.105 4.227 4.320 0.019 0.000 0.215 305 A C 2.447 179.979 177.584 -0.087 0.000 1.195 305 A CA 2.179 54.178 52.037 -0.064 0.000 0.616 305 A CB -0.978 17.988 19.000 -0.057 0.000 0.832 305 A HN 0.563 nan 8.150 nan 0.000 0.443 306 A N -0.362 122.406 122.820 -0.087 0.000 1.930 306 A HA 0.120 4.452 4.320 0.019 0.000 0.217 306 A C 1.140 178.663 177.584 -0.103 0.000 1.175 306 A CA 0.590 52.564 52.037 -0.105 0.000 0.627 306 A CB -0.645 18.297 19.000 -0.097 0.000 0.815 306 A HN 0.487 nan 8.150 nan 0.000 0.443 307 I N 1.342 121.864 120.570 -0.081 0.000 2.742 307 I HA 0.007 4.189 4.170 0.019 0.000 0.287 307 I C -2.182 173.901 176.117 -0.057 0.000 1.186 307 I CA -1.254 60.006 61.300 -0.068 0.000 1.417 307 I CB 0.662 38.633 38.000 -0.049 0.000 1.377 307 I HN 0.081 nan 8.210 nan 0.000 0.556 308 P HA -0.026 nan 4.420 nan 0.000 0.252 308 P C 0.638 177.976 177.300 0.064 0.000 1.694 308 P CA -0.109 62.993 63.100 0.003 0.000 1.163 308 P CB -0.057 31.681 31.700 0.064 0.000 1.934 309 E N 1.223 121.444 120.200 0.035 0.000 2.267 309 E HA -0.139 4.222 4.350 0.019 0.000 0.197 309 E C 1.453 178.091 176.600 0.064 0.000 0.998 309 E CA 1.542 57.964 56.400 0.037 0.000 0.830 309 E CB -0.894 28.816 29.700 0.017 0.000 0.751 309 E HN 0.386 nan 8.360 nan 0.000 0.491 310 G N 0.884 109.770 108.800 0.144 0.000 3.189 310 G HA2 0.124 4.096 3.960 0.019 0.000 0.225 310 G HA3 0.124 4.096 3.960 0.019 0.000 0.225 310 G C 1.293 176.321 174.900 0.214 0.000 1.159 310 G CA 0.021 45.228 45.100 0.178 0.000 0.763 310 G HN 0.192 nan 8.290 nan 0.000 0.549 311 L N 1.605 122.995 121.223 0.278 0.000 2.012 311 L HA 0.073 4.425 4.340 0.019 0.000 0.210 311 L C -0.140 176.694 176.870 -0.061 0.000 1.073 311 L CA 2.006 56.919 54.840 0.121 0.000 0.748 311 L CB -0.654 41.567 42.059 0.270 0.000 0.891 311 L HN 0.025 nan 8.230 nan 0.000 0.431 312 P HA -0.116 nan 4.420 nan 0.000 0.219 312 P C 1.233 178.486 177.300 -0.079 0.000 1.146 312 P CA 1.845 64.919 63.100 -0.042 0.000 0.808 312 P CB -0.134 31.550 31.700 -0.027 0.000 0.779 313 A N -0.825 121.941 122.820 -0.090 0.000 1.887 313 A HA -0.039 4.293 4.320 0.019 0.000 0.212 313 A C 2.300 179.802 177.584 -0.135 0.000 1.198 313 A CA 0.960 52.939 52.037 -0.096 0.000 0.628 313 A CB -1.488 17.465 19.000 -0.077 0.000 0.847 313 A HN 0.078 nan 8.150 nan 0.000 0.449 314 V N 0.491 120.272 119.914 -0.222 0.000 2.469 314 V HA -0.257 3.875 4.120 0.019 0.000 0.251 314 V C 2.190 178.107 176.094 -0.295 0.000 1.064 314 V CA 2.343 64.448 62.300 -0.324 0.000 1.066 314 V CB -0.508 30.869 31.823 -0.744 0.000 0.667 314 V HN 0.554 nan 8.190 nan 0.000 0.461 315 I N -0.886 119.528 120.570 -0.260 0.000 2.235 315 I HA -0.155 4.026 4.170 0.019 0.000 0.241 315 I C 2.514 178.551 176.117 -0.134 0.000 1.085 315 I CA 1.771 62.961 61.300 -0.185 0.000 1.378 315 I CB -1.011 36.908 38.000 -0.135 0.000 1.076 315 I HN 0.170 nan 8.210 nan 0.000 0.415 316 T N 0.390 114.879 114.554 -0.108 0.000 2.685 316 T HA -0.224 4.137 4.350 0.019 0.000 0.268 316 T C 1.913 176.561 174.700 -0.088 0.000 1.034 316 T CA 2.312 64.364 62.100 -0.081 0.000 1.149 316 T CB -0.380 68.450 68.868 -0.064 0.000 0.860 316 T HN 0.390 nan 8.240 nan 0.000 0.449 317 T N 0.716 115.207 114.554 -0.105 0.000 2.737 317 T HA -0.096 4.265 4.350 0.019 0.000 0.265 317 T C 2.282 176.871 174.700 -0.185 0.000 1.038 317 T CA 1.217 63.250 62.100 -0.113 0.000 1.144 317 T CB -0.605 68.211 68.868 -0.087 0.000 0.866 317 T HN 0.451 nan 8.240 nan 0.000 0.434 318 C N 0.964 120.136 119.300 -0.214 0.000 2.422 318 C HA 0.057 4.528 4.460 0.019 0.000 0.279 318 C C 2.533 177.416 174.990 -0.179 0.000 1.305 318 C CA 0.094 58.965 59.018 -0.245 0.000 1.757 318 C CB -1.341 26.269 27.740 -0.218 0.000 1.962 318 C HN 0.380 nan 8.230 nan 0.000 0.499 319 L N 1.572 122.715 121.223 -0.133 0.000 1.988 319 L HA -0.062 4.290 4.340 0.019 0.000 0.207 319 L C 2.796 179.609 176.870 -0.094 0.000 1.071 319 L CA 2.376 57.158 54.840 -0.097 0.000 0.744 319 L CB -1.529 40.485 42.059 -0.075 0.000 0.893 319 L HN 0.282 nan 8.230 nan 0.000 0.433 320 A N -1.044 121.722 122.820 -0.089 0.000 1.978 320 A HA -0.218 4.114 4.320 0.019 0.000 0.220 320 A C 2.284 179.815 177.584 -0.088 0.000 1.170 320 A CA 1.867 53.861 52.037 -0.072 0.000 0.636 320 A CB -0.848 18.122 19.000 -0.050 0.000 0.810 320 A HN 0.372 nan 8.150 nan 0.000 0.448 321 L N -0.104 121.033 121.223 -0.143 0.000 2.056 321 L HA 0.027 4.378 4.340 0.019 0.000 0.207 321 L C 2.405 179.190 176.870 -0.142 0.000 1.078 321 L CA 2.201 56.932 54.840 -0.181 0.000 0.749 321 L CB -0.966 40.881 42.059 -0.353 0.000 0.901 321 L HN 0.288 nan 8.230 nan 0.000 0.433 322 G N -1.846 106.875 108.800 -0.133 0.000 2.418 322 G HA2 -0.251 3.720 3.960 0.019 0.000 0.217 322 G HA3 -0.251 3.720 3.960 0.019 0.000 0.217 322 G C 1.442 176.297 174.900 -0.074 0.000 1.158 322 G CA 1.194 46.234 45.100 -0.099 0.000 0.771 322 G HN 0.420 nan 8.290 nan 0.000 0.545 323 T N 0.196 114.709 114.554 -0.068 0.000 2.652 323 T HA -0.136 4.225 4.350 0.019 0.000 0.267 323 T C 2.361 177.032 174.700 -0.047 0.000 1.039 323 T CA 1.472 63.540 62.100 -0.053 0.000 1.153 323 T CB -0.141 68.698 68.868 -0.048 0.000 0.863 323 T HN 0.309 nan 8.240 nan 0.000 0.428 324 R N 0.608 121.079 120.500 -0.048 0.000 2.120 324 R HA 0.001 4.353 4.340 0.019 0.000 0.234 324 R C 2.527 178.807 176.300 -0.033 0.000 1.123 324 R CA 1.243 57.324 56.100 -0.033 0.000 0.975 324 R CB 0.006 30.291 30.300 -0.024 0.000 0.866 324 R HN 0.314 nan 8.270 nan 0.000 0.446 325 R N -0.803 119.670 120.500 -0.046 0.000 2.093 325 R HA 0.011 4.363 4.340 0.019 0.000 0.224 325 R C 2.211 178.487 176.300 -0.040 0.000 1.101 325 R CA 1.084 57.160 56.100 -0.041 0.000 0.979 325 R CB -0.090 30.178 30.300 -0.052 0.000 0.877 325 R HN 0.181 nan 8.270 nan 0.000 0.441 326 M N 0.388 119.961 119.600 -0.045 0.000 2.086 326 M HA -0.067 4.425 4.480 0.019 0.000 0.261 326 M C 2.439 178.714 176.300 -0.041 0.000 1.067 326 M CA 1.620 56.893 55.300 -0.045 0.000 1.116 326 M CB -1.072 31.500 32.600 -0.047 0.000 1.348 326 M HN 0.179 nan 8.290 nan 0.000 0.407 327 A N -0.121 122.677 122.820 -0.038 0.000 1.978 327 A HA -0.215 4.116 4.320 0.019 0.000 0.220 327 A C 2.299 179.859 177.584 -0.041 0.000 1.170 327 A CA 2.018 54.034 52.037 -0.036 0.000 0.636 327 A CB -0.735 18.248 19.000 -0.028 0.000 0.810 327 A HN 0.542 nan 8.150 nan 0.000 0.448 328 K N -0.263 120.116 120.400 -0.035 0.000 2.288 328 K HA -0.049 4.283 4.320 0.019 0.000 0.201 328 K C 1.119 177.693 176.600 -0.043 0.000 1.048 328 K CA 1.217 57.483 56.287 -0.035 0.000 0.956 328 K CB -0.061 32.427 32.500 -0.020 0.000 0.746 328 K HN 0.413 nan 8.250 nan 0.000 0.461 329 K N 0.505 120.879 120.400 -0.043 0.000 2.410 329 K HA 0.130 4.462 4.320 0.019 0.000 0.200 329 K C -0.334 176.236 176.600 -0.051 0.000 1.023 329 K CA 0.018 56.278 56.287 -0.044 0.000 1.149 329 K CB 0.465 32.941 32.500 -0.039 0.000 0.859 329 K HN 0.155 nan 8.250 nan 0.000 0.514 330 N N -0.301 118.363 118.700 -0.060 0.000 2.829 330 N HA -0.167 4.584 4.740 0.019 0.000 0.250 330 N C -0.791 174.693 175.510 -0.043 0.000 1.090 330 N CA 1.048 54.060 53.050 -0.064 0.000 0.781 330 N CB -1.529 36.911 38.487 -0.078 0.000 1.124 330 N HN 0.306 nan 8.380 nan 0.000 0.559 331 A N 0.579 123.374 122.820 -0.041 0.000 2.274 331 A HA 0.670 5.002 4.320 0.019 0.000 0.309 331 A C 0.556 178.121 177.584 -0.032 0.000 1.226 331 A CA -0.436 51.578 52.037 -0.037 0.000 0.853 331 A CB 0.538 19.510 19.000 -0.046 0.000 1.146 331 A HN 0.263 nan 8.150 nan 0.000 0.518 332 I N 3.059 123.614 120.570 -0.024 0.000 2.325 332 I HA 0.215 4.397 4.170 0.019 0.000 0.291 332 I C -0.374 175.729 176.117 -0.024 0.000 1.019 332 I CA -0.387 60.901 61.300 -0.020 0.000 1.302 332 I CB 1.544 39.538 38.000 -0.010 0.000 1.401 332 I HN 0.294 nan 8.210 nan 0.000 0.485 333 V N 7.873 127.771 119.914 -0.027 0.000 2.407 333 V HA 0.294 4.425 4.120 0.019 0.000 0.278 333 V C 0.998 177.077 176.094 -0.024 0.000 1.037 333 V CA -0.371 61.912 62.300 -0.029 0.000 0.900 333 V CB 1.203 33.006 31.823 -0.034 0.000 0.983 333 V HN 0.735 nan 8.190 nan 0.000 0.459 334 R N 2.201 122.688 120.500 -0.022 0.000 2.334 334 R HA 0.272 4.624 4.340 0.019 0.000 0.212 334 R C 0.425 176.713 176.300 -0.021 0.000 0.897 334 R CA 0.130 56.219 56.100 -0.019 0.000 1.056 334 R CB 0.791 31.082 30.300 -0.015 0.000 1.046 334 R HN 0.541 nan 8.270 nan 0.000 0.513 335 S N 0.580 116.266 115.700 -0.023 0.000 2.706 335 S HA 0.212 4.694 4.470 0.019 0.000 0.270 335 S C 0.805 175.390 174.600 -0.026 0.000 1.163 335 S CA -0.619 57.567 58.200 -0.023 0.000 1.042 335 S CB 0.859 64.046 63.200 -0.021 0.000 1.079 335 S HN 0.082 nan 8.310 nan 0.000 0.474 336 L N 4.901 126.108 121.223 -0.026 0.000 2.034 336 L HA -0.078 4.273 4.340 0.019 0.000 0.217 336 L C -0.522 176.331 176.870 -0.029 0.000 1.077 336 L CA 2.148 56.970 54.840 -0.029 0.000 0.769 336 L CB -1.871 40.171 42.059 -0.028 0.000 0.890 336 L HN 0.580 nan 8.230 nan 0.000 0.435 337 P HA -0.136 nan 4.420 nan 0.000 0.223 337 P C 1.714 178.998 177.300 -0.027 0.000 1.144 337 P CA 1.519 64.605 63.100 -0.023 0.000 0.783 337 P CB -0.178 31.511 31.700 -0.018 0.000 0.771 338 S N -0.523 115.159 115.700 -0.030 0.000 2.374 338 S HA -0.149 4.333 4.470 0.019 0.000 0.227 338 S C 1.994 176.571 174.600 -0.039 0.000 1.037 338 S CA 1.704 59.883 58.200 -0.034 0.000 1.024 338 S CB -1.784 61.395 63.200 -0.036 0.000 0.861 338 S HN 0.046 nan 8.310 nan 0.000 0.456 339 V N 3.693 123.584 119.914 -0.040 0.000 2.323 339 V HA -0.161 3.971 4.120 0.019 0.000 0.244 339 V C 2.920 178.992 176.094 -0.037 0.000 1.041 339 V CA 1.865 64.139 62.300 -0.043 0.000 1.025 339 V CB -1.105 30.691 31.823 -0.046 0.000 0.656 339 V HN 0.787 nan 8.190 nan 0.000 0.451 340 E N 0.764 120.947 120.200 -0.029 0.000 2.077 340 E HA -0.236 4.126 4.350 0.019 0.000 0.193 340 E C 2.020 178.599 176.600 -0.036 0.000 0.989 340 E CA 2.070 58.458 56.400 -0.019 0.000 0.800 340 E CB -0.769 28.930 29.700 -0.002 0.000 0.746 340 E HN 0.535 nan 8.360 nan 0.000 0.452 341 T N 1.542 116.075 114.554 -0.036 0.000 2.777 341 T HA -0.121 4.240 4.350 0.019 0.000 0.266 341 T C 1.763 176.434 174.700 -0.048 0.000 1.040 341 T CA 1.190 63.266 62.100 -0.041 0.000 1.141 341 T CB -0.296 68.552 68.868 -0.033 0.000 0.868 341 T HN 0.098 nan 8.240 nan 0.000 0.444 342 L N 1.768 122.962 121.223 -0.047 0.000 2.191 342 L HA 0.149 4.501 4.340 0.019 0.000 0.212 342 L C 2.417 179.253 176.870 -0.056 0.000 1.103 342 L CA 1.491 56.300 54.840 -0.053 0.000 0.769 342 L CB -1.218 40.806 42.059 -0.059 0.000 0.908 342 L HN 0.276 nan 8.230 nan 0.000 0.438 343 G N -0.329 108.438 108.800 -0.055 0.000 2.529 343 G HA2 -0.345 3.627 3.960 0.019 0.000 0.219 343 G HA3 -0.345 3.627 3.960 0.019 0.000 0.219 343 G C 1.068 175.920 174.900 -0.080 0.000 1.177 343 G CA 1.155 46.218 45.100 -0.060 0.000 0.773 343 G HN 0.654 nan 8.290 nan 0.000 0.573 344 C N 0.597 119.841 119.300 -0.094 0.000 2.395 344 C HA 0.556 5.028 4.460 0.019 0.000 0.315 344 C C 0.621 175.571 174.990 -0.067 0.000 1.399 344 C CA -1.352 57.606 59.018 -0.101 0.000 1.788 344 C CB -1.407 26.244 27.740 -0.147 0.000 2.564 344 C HN 0.099 nan 8.230 nan 0.000 0.552 345 T N 2.140 116.662 114.554 -0.053 0.000 2.851 345 T HA 0.260 4.621 4.350 0.019 0.000 0.298 345 T C 1.236 175.918 174.700 -0.030 0.000 0.977 345 T CA 0.473 62.551 62.100 -0.037 0.000 1.126 345 T CB 1.089 69.935 68.868 -0.038 0.000 0.916 345 T HN 0.733 nan 8.240 nan 0.000 0.529 346 S N 1.522 117.211 115.700 -0.019 0.000 2.511 346 S HA 0.293 4.775 4.470 0.019 0.000 0.214 346 S C 0.359 174.957 174.600 -0.003 0.000 0.997 346 S CA -0.405 57.787 58.200 -0.013 0.000 0.908 346 S CB 0.350 63.543 63.200 -0.011 0.000 0.803 346 S HN 0.425 nan 8.310 nan 0.000 0.504 347 V N 2.016 121.932 119.914 0.003 0.000 2.668 347 V HA 0.483 4.615 4.120 0.019 0.000 0.304 347 V C -1.133 174.970 176.094 0.015 0.000 1.071 347 V CA -0.714 61.596 62.300 0.015 0.000 0.894 347 V CB 1.768 33.608 31.823 0.028 0.000 1.008 347 V HN 0.339 nan 8.190 nan 0.000 0.425 348 I N 3.881 124.465 120.570 0.023 0.000 2.328 348 I HA 0.366 4.548 4.170 0.019 0.000 0.287 348 I C -0.077 176.073 176.117 0.056 0.000 1.012 348 I CA -0.091 61.226 61.300 0.029 0.000 1.195 348 I CB 1.156 39.173 38.000 0.027 0.000 1.350 348 I HN 0.545 nan 8.210 nan 0.000 0.464 349 C N 4.182 123.511 119.300 0.049 0.000 2.452 349 C HA 0.519 4.990 4.460 0.019 0.000 0.379 349 C C 0.702 175.738 174.990 0.076 0.000 1.275 349 C CA -0.129 58.924 59.018 0.057 0.000 2.056 349 C CB 0.579 28.338 27.740 0.032 0.000 2.506 349 C HN 0.761 nan 8.230 nan 0.000 0.560 350 S N 1.448 117.201 115.700 0.089 0.000 2.614 350 S HA 0.309 4.791 4.470 0.019 0.000 0.288 350 S C -0.898 173.746 174.600 0.074 0.000 1.137 350 S CA -0.508 57.758 58.200 0.110 0.000 0.992 350 S CB 0.872 64.178 63.200 0.176 0.000 1.026 350 S HN 0.878 nan 8.310 nan 0.000 0.486 351 D N 2.720 123.163 120.400 0.072 0.000 2.443 351 D HA 0.093 4.744 4.640 0.019 0.000 0.234 351 D C 1.004 177.326 176.300 0.036 0.000 1.172 351 D CA 0.534 54.568 54.000 0.057 0.000 0.878 351 D CB 0.755 41.591 40.800 0.059 0.000 1.204 351 D HN 0.571 nan 8.370 nan 0.000 0.453 352 K N 0.791 121.207 120.400 0.027 0.000 2.102 352 K HA 0.033 4.365 4.320 0.019 0.000 0.208 352 K C 0.046 176.649 176.600 0.004 0.000 1.027 352 K CA 0.323 56.611 56.287 0.002 0.000 0.958 352 K CB -0.126 32.378 32.500 0.007 0.000 0.819 352 K HN 0.478 nan 8.250 nan 0.000 0.453 353 T N 0.753 115.320 114.554 0.022 0.000 2.769 353 T HA 0.298 4.660 4.350 0.019 0.000 0.293 353 T C 0.645 175.361 174.700 0.027 0.000 0.931 353 T CA 0.382 62.495 62.100 0.021 0.000 1.139 353 T CB 0.933 69.819 68.868 0.029 0.000 0.881 353 T HN 0.665 nan 8.240 nan 0.000 0.532 354 G N 3.398 112.211 108.800 0.022 0.000 2.268 354 G HA2 -0.319 3.652 3.960 0.019 0.000 0.240 354 G HA3 -0.319 3.652 3.960 0.019 0.000 0.240 354 G C 0.922 175.843 174.900 0.037 0.000 1.010 354 G CA 0.553 45.672 45.100 0.031 0.000 0.618 354 G HN 0.684 nan 8.290 nan 0.000 0.516 355 T N 0.398 114.972 114.554 0.033 0.000 3.348 355 T HA 0.308 4.669 4.350 0.019 0.000 0.233 355 T C 2.003 176.700 174.700 -0.005 0.000 0.960 355 T CA 1.057 63.193 62.100 0.060 0.000 1.343 355 T CB -0.212 68.707 68.868 0.084 0.000 1.068 355 T HN 0.054 nan 8.240 nan 0.000 0.410 356 L N 2.087 123.258 121.223 -0.086 0.000 2.217 356 L HA 0.158 4.509 4.340 0.019 0.000 0.211 356 L C 1.558 178.336 176.870 -0.154 0.000 1.107 356 L CA 1.216 55.917 54.840 -0.231 0.000 0.783 356 L CB -1.301 40.629 42.059 -0.216 0.000 0.919 356 L HN 0.513 nan 8.230 nan 0.000 0.442 357 T N -5.721 108.788 114.554 -0.076 0.000 2.948 357 T HA 0.317 4.678 4.350 0.019 0.000 0.285 357 T C 1.300 175.986 174.700 -0.024 0.000 1.019 357 T CA 0.099 62.168 62.100 -0.051 0.000 1.013 357 T CB 1.359 70.208 68.868 -0.032 0.000 1.117 357 T HN 0.179 nan 8.240 nan 0.000 0.533 358 T N -1.141 113.401 114.554 -0.020 0.000 2.951 358 T HA 0.003 4.364 4.350 0.019 0.000 0.268 358 T C 1.152 175.860 174.700 0.013 0.000 1.073 358 T CA 0.941 63.038 62.100 -0.006 0.000 1.134 358 T CB -0.787 68.070 68.868 -0.018 0.000 0.884 358 T HN 0.873 nan 8.240 nan 0.000 0.479 359 N N 0.990 119.698 118.700 0.014 0.000 2.741 359 N HA -0.179 4.572 4.740 0.019 0.000 0.250 359 N C -0.800 174.751 175.510 0.069 0.000 1.115 359 N CA 0.551 53.626 53.050 0.041 0.000 0.724 359 N CB -1.756 36.761 38.487 0.050 0.000 1.090 359 N HN 0.743 nan 8.380 nan 0.000 0.558 360 Q N 0.305 120.113 119.800 0.013 0.000 2.509 360 Q HA 0.287 4.639 4.340 0.019 0.000 0.236 360 Q C -0.080 175.853 176.000 -0.113 0.000 1.073 360 Q CA -0.305 55.460 55.803 -0.063 0.000 0.867 360 Q CB 0.699 29.361 28.738 -0.127 0.000 1.181 360 Q HN 0.252 nan 8.270 nan 0.000 0.526 361 M N 0.735 120.331 119.600 -0.006 0.000 2.274 361 M HA 0.357 4.848 4.480 0.019 0.000 0.344 361 M C -0.043 176.235 176.300 -0.037 0.000 1.161 361 M CA -0.059 55.256 55.300 0.025 0.000 1.126 361 M CB 1.537 34.214 32.600 0.128 0.000 1.522 361 M HN 0.256 nan 8.290 nan 0.000 0.461 362 S N 1.427 117.102 115.700 -0.042 0.000 2.706 362 S HA 0.364 4.846 4.470 0.019 0.000 0.270 362 S C -0.894 173.675 174.600 -0.053 0.000 1.163 362 S CA -0.613 57.550 58.200 -0.061 0.000 1.042 362 S CB 1.117 64.250 63.200 -0.111 0.000 1.079 362 S HN 0.424 nan 8.310 nan 0.000 0.474 363 V N 4.892 124.783 119.914 -0.038 0.000 2.425 363 V HA 0.033 4.165 4.120 0.019 0.000 0.276 363 V C 1.448 177.491 176.094 -0.085 0.000 1.017 363 V CA 0.243 62.508 62.300 -0.058 0.000 1.062 363 V CB -0.206 31.588 31.823 -0.048 0.000 0.997 363 V HN 1.089 nan 8.190 nan 0.000 0.476 364 C N 2.845 122.070 119.300 -0.125 0.000 3.403 364 C HA 0.474 4.945 4.460 0.019 0.000 0.317 364 C C 0.591 175.458 174.990 -0.206 0.000 1.346 364 C CA -0.621 58.310 59.018 -0.145 0.000 1.743 364 C CB -0.724 26.926 27.740 -0.150 0.000 2.308 364 C HN 0.720 nan 8.230 nan 0.000 0.675 365 K N 1.539 121.764 120.400 -0.292 0.000 2.469 365 K HA 0.739 5.071 4.320 0.019 0.000 0.254 365 K C -0.943 175.566 176.600 -0.153 0.000 0.939 365 K CA -0.282 55.758 56.287 -0.412 0.000 0.812 365 K CB 2.362 34.148 32.500 -1.190 0.000 1.301 365 K HN 0.574 nan 8.250 nan 0.000 0.433 366 M N 0.685 120.386 119.600 0.168 0.000 2.644 366 M HA 0.658 5.150 4.480 0.019 0.000 0.273 366 M C -1.752 174.943 176.300 0.658 0.000 1.253 366 M CA -0.917 54.603 55.300 0.367 0.000 0.852 366 M CB 2.076 34.733 32.600 0.095 0.000 1.708 366 M HN 0.594 nan 8.290 nan 0.000 0.471 367 F N 1.049 121.242 119.950 0.405 0.000 2.645 367 F HA 0.906 5.444 4.527 0.018 0.000 0.310 367 F C -1.477 174.440 175.800 0.196 0.000 1.102 367 F CA -1.048 57.140 58.000 0.313 0.000 0.952 367 F CB 1.256 40.376 39.000 0.199 0.000 1.326 367 F HN 0.839 nan 8.300 nan 0.000 0.456 368 I N -0.056 120.822 120.570 0.513 0.000 3.294 368 I HA 0.623 4.805 4.170 0.019 0.000 0.311 368 I C -0.952 175.437 176.117 0.452 0.000 1.111 368 I CA -1.404 60.126 61.300 0.384 0.000 0.976 368 I CB 1.931 40.050 38.000 0.198 0.000 1.260 368 I HN 0.478 nan 8.210 nan 0.000 0.474 369 I N 1.992 122.777 120.570 0.358 0.000 2.638 369 I HA 0.152 4.334 4.170 0.019 0.000 0.286 369 I C 0.322 176.547 176.117 0.181 0.000 1.088 369 I CA 0.535 61.983 61.300 0.246 0.000 1.397 369 I CB 0.831 38.967 38.000 0.227 0.000 1.414 369 I HN 0.808 nan 8.210 nan 0.000 0.566 370 D N 3.927 124.393 120.400 0.111 0.000 3.161 370 D HA 0.119 4.770 4.640 0.019 0.000 0.287 370 D C -0.043 176.319 176.300 0.104 0.000 1.343 370 D CA 0.987 55.057 54.000 0.116 0.000 1.070 370 D CB 0.636 41.486 40.800 0.082 0.000 1.188 370 D HN 0.345 nan 8.370 nan 0.000 0.409 371 K N -0.346 120.095 120.400 0.068 0.000 2.318 371 K HA 0.664 4.995 4.320 0.019 0.000 0.249 371 K C -1.359 175.264 176.600 0.037 0.000 0.942 371 K CA -0.763 55.584 56.287 0.101 0.000 0.808 371 K CB 3.146 35.778 32.500 0.220 0.000 1.189 371 K HN -0.135 nan 8.250 nan 0.000 0.428 372 V N 1.866 121.828 119.914 0.080 0.000 2.525 372 V HA 0.453 4.585 4.120 0.019 0.000 0.299 372 V C -1.469 174.697 176.094 0.120 0.000 1.034 372 V CA -0.664 61.672 62.300 0.060 0.000 0.863 372 V CB 1.760 33.609 31.823 0.044 0.000 0.999 372 V HN 0.795 nan 8.190 nan 0.000 0.423 373 D N 3.385 123.885 120.400 0.167 0.000 2.354 373 D HA 0.538 5.190 4.640 0.019 0.000 0.230 373 D C 0.375 176.765 176.300 0.150 0.000 1.361 373 D CA 1.077 55.171 54.000 0.158 0.000 0.992 373 D CB 1.308 42.216 40.800 0.180 0.000 1.409 373 D HN 0.964 nan 8.370 nan 0.000 0.573 374 G N 4.268 113.122 108.800 0.091 0.000 2.566 374 G HA2 -0.321 3.651 3.960 0.019 0.000 0.280 374 G HA3 -0.321 3.651 3.960 0.019 0.000 0.280 374 G C 0.465 175.410 174.900 0.076 0.000 1.225 374 G CA 0.514 45.656 45.100 0.071 0.000 0.966 374 G HN 0.691 nan 8.290 nan 0.000 0.560 375 D N -0.376 120.069 120.400 0.075 0.000 2.400 375 D HA 0.402 5.054 4.640 0.019 0.000 0.243 375 D C 0.323 176.689 176.300 0.109 0.000 1.184 375 D CA -0.049 53.986 54.000 0.059 0.000 0.853 375 D CB -0.026 40.794 40.800 0.034 0.000 0.944 375 D HN 0.386 nan 8.370 nan 0.000 0.501 376 F N 1.016 120.954 119.950 -0.020 0.000 2.427 376 F HA 0.436 4.976 4.527 0.021 0.000 0.346 376 F C -1.054 174.731 175.800 -0.025 0.000 1.120 376 F CA -1.658 56.328 58.000 -0.024 0.000 1.033 376 F CB 1.252 40.242 39.000 -0.018 0.000 1.126 376 F HN 0.072 nan 8.300 nan 0.000 0.462 377 C N 6.167 125.022 119.300 -0.743 0.000 2.441 377 C HA 0.837 5.308 4.460 0.019 0.000 0.318 377 C C -0.792 173.679 174.990 -0.865 0.000 1.222 377 C CA -0.165 58.476 59.018 -0.628 0.000 1.474 377 C CB 0.159 27.697 27.740 -0.336 0.000 2.125 377 C HN 0.977 nan 8.230 nan 0.000 0.479 378 S N 6.161 121.480 115.700 -0.636 0.000 2.536 378 S HA 0.829 5.311 4.470 0.019 0.000 0.298 378 S C -1.204 173.273 174.600 -0.205 0.000 1.083 378 S CA -0.713 57.240 58.200 -0.411 0.000 0.995 378 S CB 1.190 64.242 63.200 -0.246 0.000 1.058 378 S HN 0.783 nan 8.310 nan 0.000 0.488 379 L N 2.177 123.275 121.223 -0.208 0.000 2.329 379 L HA 0.513 4.864 4.340 0.019 0.000 0.279 379 L C -0.343 176.480 176.870 -0.079 0.000 1.014 379 L CA -0.995 53.754 54.840 -0.151 0.000 0.814 379 L CB 1.317 43.117 42.059 -0.432 0.000 1.257 379 L HN 0.647 nan 8.230 nan 0.000 0.424 380 N N 2.727 121.445 118.700 0.030 0.000 2.439 380 N HA 0.190 4.942 4.740 0.019 0.000 0.243 380 N C -0.555 174.919 175.510 -0.060 0.000 1.088 380 N CA -0.065 52.943 53.050 -0.070 0.000 0.940 380 N CB 0.771 39.292 38.487 0.056 0.000 1.180 380 N HN 0.590 nan 8.380 nan 0.000 0.505 381 E N 1.250 121.304 120.200 -0.244 0.000 2.250 381 E HA 0.543 4.905 4.350 0.019 0.000 0.269 381 E C -0.713 175.591 176.600 -0.494 0.000 1.018 381 E CA -0.352 56.039 56.400 -0.014 0.000 0.873 381 E CB 1.247 31.034 29.700 0.145 0.000 1.134 381 E HN 0.293 nan 8.360 nan 0.000 0.403 382 F N -0.407 119.617 119.950 0.122 0.000 2.631 382 F HA 0.355 4.893 4.527 0.019 0.000 0.308 382 F C -0.215 175.579 175.800 -0.010 0.000 1.097 382 F CA -0.780 57.227 58.000 0.012 0.000 0.952 382 F CB 2.114 41.086 39.000 -0.046 0.000 1.307 382 F HN 0.233 nan 8.300 nan 0.000 0.450 383 S N 2.432 118.217 115.700 0.141 0.000 2.607 383 S HA 0.838 5.320 4.470 0.019 0.000 0.303 383 S C -1.303 173.307 174.600 0.017 0.000 1.086 383 S CA -0.674 57.536 58.200 0.016 0.000 0.995 383 S CB 1.860 65.049 63.200 -0.018 0.000 1.084 383 S HN 0.334 nan 8.310 nan 0.000 0.507 384 I N 2.054 122.602 120.570 -0.037 0.000 2.571 384 I HA 0.323 4.505 4.170 0.019 0.000 0.289 384 I C 0.277 176.363 176.117 -0.052 0.000 1.115 384 I CA -0.623 60.654 61.300 -0.039 0.000 1.045 384 I CB 1.287 39.255 38.000 -0.053 0.000 1.238 384 I HN 0.719 nan 8.210 nan 0.000 0.424 385 T N 0.650 115.179 114.554 -0.041 0.000 2.902 385 T HA 0.776 5.138 4.350 0.019 0.000 0.280 385 T C 0.395 175.065 174.700 -0.050 0.000 0.992 385 T CA -0.227 61.847 62.100 -0.044 0.000 1.015 385 T CB 1.758 70.607 68.868 -0.032 0.000 1.044 385 T HN 1.494 nan 8.240 nan 0.000 0.520 386 G N 0.482 109.251 108.800 -0.052 0.000 3.421 386 G HA2 -0.018 3.954 3.960 0.019 0.000 0.686 386 G HA3 -0.018 3.954 3.960 0.019 0.000 0.686 386 G C 0.151 175.007 174.900 -0.074 0.000 1.056 386 G CA -0.206 44.860 45.100 -0.056 0.000 0.891 386 G HN 0.816 nan 8.290 nan 0.000 0.514 387 S N 0.651 116.301 115.700 -0.084 0.000 2.502 387 S HA 0.262 4.743 4.470 0.019 0.000 0.215 387 S C 1.554 176.047 174.600 -0.179 0.000 1.009 387 S CA 1.075 59.206 58.200 -0.114 0.000 0.908 387 S CB 0.453 63.594 63.200 -0.097 0.000 0.801 387 S HN 0.945 nan 8.310 nan 0.000 0.505 388 T N -0.095 114.365 114.554 -0.158 0.000 2.852 388 T HA 0.283 4.645 4.350 0.019 0.000 0.281 388 T C -0.008 174.548 174.700 -0.241 0.000 0.993 388 T CA -0.292 61.683 62.100 -0.209 0.000 0.933 388 T CB 0.223 69.052 68.868 -0.064 0.000 1.187 388 T HN 0.136 nan 8.240 nan 0.000 0.559 389 Y N 0.527 120.843 120.300 0.026 0.000 2.462 389 Y HA 0.471 5.032 4.550 0.019 0.000 0.293 389 Y C 1.140 176.998 175.900 -0.070 0.000 1.195 389 Y CA -0.742 57.361 58.100 0.004 0.000 1.276 389 Y CB -0.847 37.644 38.460 0.052 0.000 1.082 389 Y HN 0.465 nan 8.280 nan 0.000 0.514 390 A N 1.755 124.578 122.820 0.004 0.000 2.363 390 A HA 0.358 4.689 4.320 0.019 0.000 0.270 390 A C -1.774 175.613 177.584 -0.327 0.000 1.121 390 A CA -1.518 50.354 52.037 -0.274 0.000 0.800 390 A CB 0.164 19.149 19.000 -0.026 0.000 1.052 390 A HN 0.045 nan 8.150 nan 0.000 0.493 391 P HA 0.064 nan 4.420 nan 0.000 0.269 391 P C -0.683 176.501 177.300 -0.193 0.000 1.601 391 P CA 0.615 63.533 63.100 -0.304 0.000 0.831 391 P CB -0.420 31.082 31.700 -0.330 0.000 1.688 392 E N 0.212 120.323 120.200 -0.148 0.000 2.185 392 E HA 0.654 5.016 4.350 0.019 0.000 0.261 392 E C 0.291 176.854 176.600 -0.062 0.000 0.879 392 E CA -0.764 55.585 56.400 -0.085 0.000 0.756 392 E CB 1.936 31.602 29.700 -0.056 0.000 1.152 392 E HN 0.170 nan 8.360 nan 0.000 0.416 393 G N 2.366 111.136 108.800 -0.051 0.000 2.320 393 G HA2 0.212 4.184 3.960 0.019 0.000 0.297 393 G HA3 0.212 4.184 3.960 0.019 0.000 0.297 393 G C -1.683 173.196 174.900 -0.035 0.000 1.344 393 G CA -0.897 44.178 45.100 -0.041 0.000 0.851 393 G HN 0.450 nan 8.290 nan 0.000 0.567 394 E N -1.158 119.026 120.200 -0.026 0.000 2.336 394 E HA 0.666 5.027 4.350 0.019 0.000 0.267 394 E C -1.110 175.485 176.600 -0.009 0.000 0.906 394 E CA -1.109 55.283 56.400 -0.015 0.000 0.781 394 E CB 2.836 32.534 29.700 -0.002 0.000 1.261 394 E HN 0.351 nan 8.360 nan 0.000 0.436 395 V N 2.386 122.302 119.914 0.003 0.000 2.383 395 V HA 0.278 4.410 4.120 0.019 0.000 0.275 395 V C -0.188 175.956 176.094 0.082 0.000 1.036 395 V CA -0.574 61.742 62.300 0.027 0.000 0.889 395 V CB 0.329 32.142 31.823 -0.016 0.000 0.985 395 V HN 0.466 nan 8.190 nan 0.000 0.459 396 L N 4.911 126.197 121.223 0.105 0.000 2.322 396 L HA 0.674 5.025 4.340 0.019 0.000 0.281 396 L C -0.253 176.695 176.870 0.131 0.000 1.014 396 L CA -0.605 54.294 54.840 0.099 0.000 0.815 396 L CB 1.715 43.800 42.059 0.044 0.000 1.247 396 L HN 0.562 nan 8.230 nan 0.000 0.421 397 K N 2.348 122.805 120.400 0.094 0.000 2.324 397 K HA 0.345 4.677 4.320 0.019 0.000 0.253 397 K C -0.203 176.378 176.600 -0.032 0.000 0.932 397 K CA -0.594 55.659 56.287 -0.057 0.000 0.799 397 K CB 1.133 33.551 32.500 -0.136 0.000 1.154 397 K HN 0.611 nan 8.250 nan 0.000 0.425 398 N N 4.203 122.862 118.700 -0.068 0.000 2.702 398 N HA -0.227 4.525 4.740 0.019 0.000 0.255 398 N C -1.104 174.403 175.510 -0.006 0.000 0.983 398 N CA 1.152 54.183 53.050 -0.032 0.000 0.768 398 N CB -0.793 37.681 38.487 -0.021 0.000 0.918 398 N HN 0.842 nan 8.380 nan 0.000 0.540 399 D N -2.854 117.544 120.400 -0.004 0.000 3.079 399 D HA -0.188 4.463 4.640 0.019 0.000 0.214 399 D C -0.361 175.949 176.300 0.017 0.000 1.145 399 D CA 1.323 55.326 54.000 0.005 0.000 0.958 399 D CB -0.810 39.991 40.800 0.001 0.000 1.117 399 D HN 0.608 nan 8.370 nan 0.000 0.416 400 K N 0.223 120.641 120.400 0.030 0.000 2.324 400 K HA 0.467 4.799 4.320 0.019 0.000 0.253 400 K C -2.710 173.927 176.600 0.061 0.000 0.932 400 K CA -1.751 54.561 56.287 0.042 0.000 0.799 400 K CB 2.232 34.760 32.500 0.046 0.000 1.154 400 K HN -0.229 nan 8.250 nan 0.000 0.425 401 P HA 0.056 nan 4.420 nan 0.000 0.271 401 P C -0.684 176.665 177.300 0.082 0.000 1.233 401 P CA -0.066 63.069 63.100 0.058 0.000 0.764 401 P CB 0.205 31.926 31.700 0.036 0.000 0.825 402 I N 0.098 120.736 120.570 0.113 0.000 2.982 402 I HA 0.643 4.825 4.170 0.019 0.000 0.312 402 I C -0.110 176.073 176.117 0.109 0.000 1.041 402 I CA -1.682 59.710 61.300 0.154 0.000 1.053 402 I CB 2.372 40.547 38.000 0.291 0.000 1.248 402 I HN 0.063 nan 8.210 nan 0.000 0.471 403 R N 2.254 122.823 120.500 0.115 0.000 2.233 403 R HA 0.361 4.712 4.340 0.019 0.000 0.334 403 R C 0.185 176.531 176.300 0.078 0.000 1.037 403 R CA -0.203 55.931 56.100 0.058 0.000 0.920 403 R CB 1.133 31.452 30.300 0.032 0.000 1.137 403 R HN 0.914 nan 8.270 nan 0.000 0.492 404 S N 2.776 118.488 115.700 0.021 0.000 2.387 404 S HA -0.162 4.320 4.470 0.019 0.000 0.230 404 S C 1.848 176.450 174.600 0.003 0.000 1.035 404 S CA 1.644 59.839 58.200 -0.009 0.000 1.014 404 S CB -0.130 62.985 63.200 -0.142 0.000 0.836 404 S HN 0.908 nan 8.310 nan 0.000 0.466 405 G N 0.899 109.658 108.800 -0.069 0.000 2.532 405 G HA2 -0.331 3.640 3.960 0.019 0.000 0.222 405 G HA3 -0.331 3.640 3.960 0.019 0.000 0.222 405 G C 1.179 176.037 174.900 -0.069 0.000 1.102 405 G CA 1.171 46.208 45.100 -0.105 0.000 0.742 405 G HN 0.599 nan 8.290 nan 0.000 0.577 406 Q N -0.686 119.078 119.800 -0.060 0.000 2.181 406 Q HA -0.028 4.324 4.340 0.019 0.000 0.205 406 Q C 0.001 175.768 176.000 -0.388 0.000 0.980 406 Q CA 0.578 56.234 55.803 -0.246 0.000 0.862 406 Q CB -0.121 28.401 28.738 -0.361 0.000 0.905 406 Q HN 0.439 nan 8.270 nan 0.000 0.429 407 F N 1.057 120.987 119.950 -0.033 0.000 2.361 407 F HA 0.204 4.743 4.527 0.020 0.000 0.364 407 F C 0.712 176.479 175.800 -0.055 0.000 1.120 407 F CA -0.926 57.066 58.000 -0.014 0.000 1.102 407 F CB 1.194 40.201 39.000 0.012 0.000 1.183 407 F HN -0.038 nan 8.300 nan 0.000 0.476 408 D N 2.814 123.270 120.400 0.094 0.000 2.149 408 D HA -0.147 4.504 4.640 0.019 0.000 0.198 408 D C 2.298 178.621 176.300 0.038 0.000 0.990 408 D CA 1.487 55.510 54.000 0.040 0.000 0.839 408 D CB -0.128 40.695 40.800 0.038 0.000 0.948 408 D HN 0.833 nan 8.370 nan 0.000 0.460 409 G N 1.248 110.101 108.800 0.088 0.000 2.503 409 G HA2 -0.238 3.734 3.960 0.019 0.000 0.221 409 G HA3 -0.238 3.734 3.960 0.019 0.000 0.221 409 G C 1.779 176.660 174.900 -0.030 0.000 1.131 409 G CA 0.382 45.513 45.100 0.052 0.000 0.756 409 G HN 0.268 nan 8.290 nan 0.000 0.572 410 L N 0.193 121.387 121.223 -0.047 0.000 2.240 410 L HA -0.013 4.339 4.340 0.019 0.000 0.211 410 L C 2.920 179.681 176.870 -0.181 0.000 1.106 410 L CA 0.097 54.839 54.840 -0.164 0.000 0.793 410 L CB -0.358 41.556 42.059 -0.241 0.000 0.927 410 L HN 0.098 nan 8.230 nan 0.000 0.446 411 V N 0.172 119.991 119.914 -0.158 0.000 2.261 411 V HA -0.302 3.830 4.120 0.019 0.000 0.246 411 V C 2.446 178.421 176.094 -0.197 0.000 1.047 411 V CA 2.104 64.257 62.300 -0.245 0.000 1.015 411 V CB -0.445 31.257 31.823 -0.202 0.000 0.642 411 V HN 0.488 nan 8.190 nan 0.000 0.446 412 E N -0.261 119.867 120.200 -0.121 0.000 2.106 412 E HA -0.195 4.166 4.350 0.019 0.000 0.192 412 E C 2.246 178.747 176.600 -0.164 0.000 0.984 412 E CA 0.825 57.157 56.400 -0.113 0.000 0.806 412 E CB -0.096 29.582 29.700 -0.036 0.000 0.750 412 E HN 0.403 nan 8.360 nan 0.000 0.458 413 L N 0.973 122.098 121.223 -0.163 0.000 1.989 413 L HA -0.174 4.178 4.340 0.019 0.000 0.211 413 L C 2.293 179.045 176.870 -0.195 0.000 1.071 413 L CA 2.409 57.139 54.840 -0.184 0.000 0.749 413 L CB -1.386 40.558 42.059 -0.191 0.000 0.890 413 L HN 0.224 nan 8.230 nan 0.000 0.431 414 A N -1.159 121.537 122.820 -0.207 0.000 1.930 414 A HA -0.177 4.155 4.320 0.019 0.000 0.217 414 A C 2.189 179.647 177.584 -0.211 0.000 1.175 414 A CA 2.043 53.960 52.037 -0.200 0.000 0.627 414 A CB -0.965 17.903 19.000 -0.220 0.000 0.815 414 A HN 0.528 nan 8.150 nan 0.000 0.443 415 T N 0.611 115.016 114.554 -0.250 0.000 2.684 415 T HA -0.167 4.195 4.350 0.019 0.000 0.267 415 T C 1.787 176.204 174.700 -0.471 0.000 1.036 415 T CA 1.741 63.638 62.100 -0.338 0.000 1.148 415 T CB -0.474 68.155 68.868 -0.398 0.000 0.863 415 T HN 0.449 nan 8.240 nan 0.000 0.436 416 I N 0.790 121.094 120.570 -0.442 0.000 2.142 416 I HA -0.201 3.981 4.170 0.019 0.000 0.240 416 I C 2.724 178.729 176.117 -0.186 0.000 1.078 416 I CA 0.951 62.055 61.300 -0.327 0.000 1.343 416 I CB -0.566 37.347 38.000 -0.146 0.000 1.046 416 I HN 0.321 nan 8.210 nan 0.000 0.405 417 C N 0.807 120.010 119.300 -0.161 0.000 2.403 417 C HA -0.174 4.297 4.460 0.019 0.000 0.279 417 C C 3.124 178.053 174.990 -0.103 0.000 1.269 417 C CA 0.982 59.931 59.018 -0.115 0.000 1.774 417 C CB -1.424 26.249 27.740 -0.112 0.000 1.993 417 C HN 0.616 nan 8.230 nan 0.000 0.496 418 A N 0.023 122.767 122.820 -0.126 0.000 1.874 418 A HA 0.074 4.406 4.320 0.019 0.000 0.214 418 A C 2.111 179.647 177.584 -0.079 0.000 1.189 418 A CA 1.059 53.040 52.037 -0.093 0.000 0.615 418 A CB -0.431 18.516 19.000 -0.088 0.000 0.830 418 A HN 0.559 nan 8.150 nan 0.000 0.443 419 L N -1.139 120.014 121.223 -0.117 0.000 2.068 419 L HA -0.059 4.293 4.340 0.019 0.000 0.204 419 L C 1.598 178.467 176.870 -0.001 0.000 1.076 419 L CA 0.480 55.284 54.840 -0.059 0.000 0.753 419 L CB -0.446 41.555 42.059 -0.098 0.000 0.910 419 L HN 0.437 nan 8.230 nan 0.000 0.439 420 C N 2.737 122.035 119.300 -0.003 0.000 3.025 420 C HA 0.262 4.733 4.460 0.019 0.000 0.547 420 C C 0.221 175.218 174.990 0.013 0.000 1.058 420 C CA -0.266 58.773 59.018 0.036 0.000 1.164 420 C CB -2.423 25.354 27.740 0.062 0.000 1.405 420 C HN 0.403 nan 8.230 nan 0.000 0.610 421 N N 1.779 120.486 118.700 0.012 0.000 2.718 421 N HA 0.152 4.903 4.740 0.019 0.000 0.260 421 N C -0.994 174.519 175.510 0.006 0.000 1.089 421 N CA -0.168 52.877 53.050 -0.008 0.000 1.021 421 N CB 1.270 39.740 38.487 -0.028 0.000 1.618 421 N HN 0.354 nan 8.380 nan 0.000 0.554 422 D N 0.756 121.158 120.400 0.004 0.000 2.424 422 D HA 0.269 4.920 4.640 0.019 0.000 0.220 422 D C -0.278 176.019 176.300 -0.004 0.000 1.150 422 D CA 0.337 54.347 54.000 0.017 0.000 0.831 422 D CB 0.569 41.391 40.800 0.036 0.000 0.981 422 D HN 0.298 nan 8.370 nan 0.000 0.500 423 S N -0.718 114.966 115.700 -0.027 0.000 2.751 423 S HA 0.806 5.288 4.470 0.019 0.000 0.310 423 S C 0.018 174.585 174.600 -0.055 0.000 1.128 423 S CA -0.598 57.571 58.200 -0.052 0.000 0.931 423 S CB 2.284 65.436 63.200 -0.080 0.000 1.177 423 S HN 0.219 nan 8.310 nan 0.000 0.530 424 S N -0.464 115.190 115.700 -0.076 0.000 2.724 424 S HA 0.728 5.210 4.470 0.019 0.000 0.278 424 S C -1.928 172.627 174.600 -0.076 0.000 1.190 424 S CA -0.838 57.325 58.200 -0.062 0.000 0.860 424 S CB 0.307 63.482 63.200 -0.042 0.000 1.206 424 S HN 0.509 nan 8.310 nan 0.000 0.507 425 L N 0.642 121.846 121.223 -0.031 0.000 2.333 425 L HA 0.798 5.150 4.340 0.019 0.000 0.263 425 L C -1.629 175.276 176.870 0.057 0.000 1.014 425 L CA -0.526 54.321 54.840 0.012 0.000 0.820 425 L CB 2.090 44.196 42.059 0.078 0.000 1.352 425 L HN 0.887 nan 8.230 nan 0.000 0.421 426 D N 0.506 120.960 120.400 0.090 0.000 2.990 426 D HA 0.264 4.916 4.640 0.019 0.000 0.227 426 D C -1.542 174.818 176.300 0.100 0.000 1.249 426 D CA -0.315 53.731 54.000 0.078 0.000 0.891 426 D CB 1.650 42.444 40.800 -0.010 0.000 1.647 426 D HN 0.149 nan 8.370 nan 0.000 0.530 427 F N 3.937 123.836 119.950 -0.085 0.000 2.421 427 F HA 0.380 4.918 4.527 0.019 0.000 0.358 427 F C 0.245 175.937 175.800 -0.180 0.000 1.115 427 F CA -0.701 57.140 58.000 -0.264 0.000 1.160 427 F CB 0.507 39.261 39.000 -0.410 0.000 1.123 427 F HN 0.212 nan 8.300 nan 0.000 0.508 428 N N 5.436 123.649 118.700 -0.811 0.000 2.405 428 N HA -0.004 4.747 4.740 0.019 0.000 0.260 428 N C 0.810 175.732 175.510 -0.980 0.000 1.152 428 N CA 0.391 53.036 53.050 -0.676 0.000 0.948 428 N CB 0.629 38.849 38.487 -0.445 0.000 1.111 428 N HN 0.796 nan 8.380 nan 0.000 0.485 429 E N 1.108 121.005 120.200 -0.505 0.000 2.072 429 E HA -0.136 4.225 4.350 0.019 0.000 0.190 429 E C 1.492 177.970 176.600 -0.203 0.000 0.982 429 E CA 1.513 57.752 56.400 -0.269 0.000 0.803 429 E CB 0.217 29.897 29.700 -0.032 0.000 0.755 429 E HN 0.770 nan 8.360 nan 0.000 0.453 430 T N 0.173 114.619 114.554 -0.181 0.000 2.639 430 T HA -0.140 4.222 4.350 0.019 0.000 0.261 430 T C 1.823 176.440 174.700 -0.139 0.000 1.053 430 T CA 0.954 62.981 62.100 -0.122 0.000 1.158 430 T CB -0.321 68.488 68.868 -0.098 0.000 0.863 430 T HN -0.043 nan 8.240 nan 0.000 0.413 431 K N 1.147 121.439 120.400 -0.180 0.000 2.280 431 K HA 0.142 4.474 4.320 0.019 0.000 0.202 431 K C 1.515 178.008 176.600 -0.179 0.000 1.047 431 K CA 0.569 56.763 56.287 -0.156 0.000 0.942 431 K CB -0.569 31.843 32.500 -0.147 0.000 0.739 431 K HN 0.692 nan 8.250 nan 0.000 0.457 432 G N 1.317 109.923 108.800 -0.323 0.000 2.198 432 G HA2 -0.230 3.742 3.960 0.019 0.000 0.257 432 G HA3 -0.230 3.742 3.960 0.019 0.000 0.257 432 G C -0.100 174.645 174.900 -0.260 0.000 1.042 432 G CA 0.356 45.293 45.100 -0.270 0.000 0.791 432 G HN 0.281 nan 8.290 nan 0.000 0.502 433 V N -3.880 115.713 119.914 -0.535 0.000 2.925 433 V HA 0.786 4.917 4.120 0.019 0.000 0.311 433 V C -0.126 175.834 176.094 -0.223 0.000 1.104 433 V CA -2.453 59.740 62.300 -0.178 0.000 0.954 433 V CB 1.464 33.271 31.823 -0.025 0.000 1.022 433 V HN 0.306 nan 8.190 nan 0.000 0.427 434 Y N 1.595 122.021 120.300 0.209 0.000 2.480 434 Y HA 0.488 5.050 4.550 0.019 0.000 0.341 434 Y C 0.817 176.813 175.900 0.160 0.000 1.031 434 Y CA 0.375 58.618 58.100 0.239 0.000 1.295 434 Y CB 0.588 39.205 38.460 0.263 0.000 1.162 434 Y HN 0.696 nan 8.280 nan 0.000 0.523 435 E N 3.614 123.923 120.200 0.182 0.000 2.212 435 E HA 0.253 4.614 4.350 0.019 0.000 0.268 435 E C -0.819 175.774 176.600 -0.013 0.000 0.902 435 E CA -1.333 55.128 56.400 0.101 0.000 0.779 435 E CB 1.573 31.281 29.700 0.012 0.000 1.172 435 E HN 0.486 nan 8.360 nan 0.000 0.409 436 K N 0.309 120.615 120.400 -0.157 0.000 2.355 436 K HA 0.237 4.569 4.320 0.019 0.000 0.270 436 K C -0.541 175.971 176.600 -0.147 0.000 1.003 436 K CA -0.365 55.750 56.287 -0.286 0.000 0.957 436 K CB 0.578 32.792 32.500 -0.477 0.000 0.939 436 K HN 0.123 nan 8.250 nan 0.000 0.482 437 V N 2.383 122.214 119.914 -0.138 0.000 2.326 437 V HA 0.516 4.647 4.120 0.019 0.000 0.281 437 V C 0.570 176.607 176.094 -0.096 0.000 1.015 437 V CA 0.327 62.566 62.300 -0.101 0.000 0.823 437 V CB -0.023 31.742 31.823 -0.096 0.000 1.009 437 V HN 1.203 nan 8.190 nan 0.000 0.436 438 G N 4.745 113.499 108.800 -0.077 0.000 2.451 438 G HA2 -0.098 3.873 3.960 0.019 0.000 0.208 438 G HA3 -0.098 3.873 3.960 0.019 0.000 0.208 438 G C -0.667 174.191 174.900 -0.071 0.000 1.248 438 G CA -0.705 44.357 45.100 -0.062 0.000 0.989 438 G HN 0.546 nan 8.290 nan 0.000 0.559 439 E N 0.755 120.913 120.200 -0.069 0.000 2.313 439 E HA 0.524 4.886 4.350 0.019 0.000 0.276 439 E C 1.473 178.023 176.600 -0.083 0.000 1.031 439 E CA 0.212 56.573 56.400 -0.065 0.000 0.857 439 E CB 1.335 30.991 29.700 -0.072 0.000 1.040 439 E HN 1.052 nan 8.360 nan 0.000 0.408 440 A N 3.161 125.954 122.820 -0.044 0.000 1.948 440 A HA -0.197 4.134 4.320 0.019 0.000 0.220 440 A C 2.074 179.668 177.584 0.016 0.000 1.177 440 A CA 2.162 54.200 52.037 0.002 0.000 0.636 440 A CB -0.525 18.551 19.000 0.126 0.000 0.815 440 A HN 0.611 nan 8.150 nan 0.000 0.449 441 T N -0.115 114.429 114.554 -0.017 0.000 2.777 441 T HA -0.124 4.238 4.350 0.019 0.000 0.266 441 T C 1.773 176.446 174.700 -0.045 0.000 1.040 441 T CA 1.539 63.623 62.100 -0.026 0.000 1.141 441 T CB -0.236 68.588 68.868 -0.074 0.000 0.868 441 T HN 0.649 nan 8.240 nan 0.000 0.444 442 E N 0.633 120.787 120.200 -0.078 0.000 2.072 442 E HA -0.085 4.277 4.350 0.019 0.000 0.191 442 E C 2.449 178.997 176.600 -0.086 0.000 0.985 442 E CA 1.236 57.588 56.400 -0.081 0.000 0.801 442 E CB -0.263 29.384 29.700 -0.088 0.000 0.750 442 E HN 0.360 nan 8.360 nan 0.000 0.452 443 T N 1.059 115.534 114.554 -0.131 0.000 2.833 443 T HA -0.116 4.246 4.350 0.019 0.000 0.269 443 T C 1.964 176.605 174.700 -0.098 0.000 1.054 443 T CA 1.065 63.040 62.100 -0.207 0.000 1.135 443 T CB -0.157 68.429 68.868 -0.470 0.000 0.869 443 T HN 0.233 nan 8.240 nan 0.000 0.466 444 A N 1.330 124.167 122.820 0.028 0.000 1.940 444 A HA -0.045 4.287 4.320 0.019 0.000 0.219 444 A C 2.122 179.721 177.584 0.025 0.000 1.176 444 A CA 1.189 53.301 52.037 0.125 0.000 0.631 444 A CB -0.722 18.357 19.000 0.131 0.000 0.814 444 A HN 0.344 nan 8.150 nan 0.000 0.446 445 L N -0.154 121.059 121.223 -0.017 0.000 2.046 445 L HA -0.136 4.215 4.340 0.019 0.000 0.208 445 L C 2.733 179.573 176.870 -0.050 0.000 1.077 445 L CA 2.400 57.215 54.840 -0.043 0.000 0.747 445 L CB -1.523 40.503 42.059 -0.055 0.000 0.896 445 L HN 0.389 nan 8.230 nan 0.000 0.432 446 T N -1.375 113.148 114.554 -0.051 0.000 2.684 446 T HA -0.237 4.124 4.350 0.019 0.000 0.267 446 T C 1.878 176.550 174.700 -0.047 0.000 1.036 446 T CA 2.143 64.211 62.100 -0.053 0.000 1.148 446 T CB -0.464 68.366 68.868 -0.062 0.000 0.863 446 T HN 0.597 nan 8.240 nan 0.000 0.436 447 T N 1.410 115.949 114.554 -0.025 0.000 2.812 447 T HA -0.039 4.323 4.350 0.019 0.000 0.264 447 T C 2.030 176.701 174.700 -0.049 0.000 1.042 447 T CA 1.037 63.120 62.100 -0.029 0.000 1.140 447 T CB -0.630 68.258 68.868 0.033 0.000 0.870 447 T HN 0.155 nan 8.240 nan 0.000 0.445 448 L N 2.126 123.324 121.223 -0.041 0.000 2.034 448 L HA -0.110 4.242 4.340 0.019 0.000 0.217 448 L C 2.723 179.544 176.870 -0.082 0.000 1.077 448 L CA 2.566 57.367 54.840 -0.064 0.000 0.769 448 L CB -1.183 40.836 42.059 -0.066 0.000 0.890 448 L HN 0.383 nan 8.230 nan 0.000 0.435 449 V N -1.587 118.278 119.914 -0.081 0.000 2.427 449 V HA -0.170 3.961 4.120 0.019 0.000 0.248 449 V C 2.348 178.393 176.094 -0.081 0.000 1.051 449 V CA 1.819 64.064 62.300 -0.092 0.000 1.048 449 V CB -0.735 31.036 31.823 -0.088 0.000 0.666 449 V HN 0.572 nan 8.190 nan 0.000 0.456 450 E N 0.973 121.130 120.200 -0.072 0.000 2.160 450 E HA -0.212 4.150 4.350 0.019 0.000 0.195 450 E C 2.179 178.733 176.600 -0.077 0.000 0.991 450 E CA 1.747 58.104 56.400 -0.071 0.000 0.810 450 E CB -0.295 29.354 29.700 -0.086 0.000 0.742 450 E HN 0.723 nan 8.360 nan 0.000 0.466 451 K N -0.159 120.192 120.400 -0.082 0.000 2.228 451 K HA 0.096 4.427 4.320 0.019 0.000 0.202 451 K C 2.180 178.733 176.600 -0.079 0.000 1.051 451 K CA 0.651 56.892 56.287 -0.077 0.000 0.960 451 K CB 0.002 32.458 32.500 -0.074 0.000 0.743 451 K HN 0.067 nan 8.250 nan 0.000 0.458 452 M N 0.708 120.250 119.600 -0.097 0.000 2.349 452 M HA -0.047 4.444 4.480 0.019 0.000 0.266 452 M C 0.374 176.607 176.300 -0.111 0.000 1.076 452 M CA 0.241 55.470 55.300 -0.119 0.000 1.126 452 M CB -0.235 32.270 32.600 -0.159 0.000 1.392 452 M HN 0.097 nan 8.290 nan 0.000 0.440 453 N N 1.510 120.154 118.700 -0.095 0.000 2.696 453 N HA -0.139 4.612 4.740 0.019 0.000 0.271 453 N C 0.411 175.858 175.510 -0.104 0.000 0.997 453 N CA 0.657 53.664 53.050 -0.071 0.000 0.801 453 N CB -0.432 38.031 38.487 -0.040 0.000 0.913 453 N HN 0.367 nan 8.380 nan 0.000 0.557 454 V N -1.916 117.868 119.914 -0.216 0.000 2.667 454 V HA 0.029 4.160 4.120 0.019 0.000 0.252 454 V C 1.507 177.351 176.094 -0.416 0.000 1.065 454 V CA 1.302 63.383 62.300 -0.364 0.000 1.083 454 V CB -0.706 30.780 31.823 -0.561 0.000 0.692 454 V HN 0.223 nan 8.190 nan 0.000 0.468 455 F N 1.754 121.682 119.950 -0.037 0.000 2.660 455 F HA 0.474 5.013 4.527 0.019 0.000 0.297 455 F C 0.983 176.767 175.800 -0.026 0.000 1.132 455 F CA -1.008 56.973 58.000 -0.031 0.000 1.372 455 F CB -1.152 37.828 39.000 -0.033 0.000 1.003 455 F HN 0.223 nan 8.300 nan 0.000 0.524 456 N N 0.663 119.413 118.700 0.084 0.000 2.714 456 N HA -0.175 4.576 4.740 0.019 0.000 0.253 456 N C -0.104 175.442 175.510 0.060 0.000 1.024 456 N CA 0.927 54.008 53.050 0.052 0.000 0.726 456 N CB -1.547 36.966 38.487 0.044 0.000 0.908 456 N HN 0.180 nan 8.380 nan 0.000 0.542 457 T N 0.595 115.187 114.554 0.064 0.000 2.899 457 T HA 0.134 4.496 4.350 0.019 0.000 0.295 457 T C 0.816 175.529 174.700 0.022 0.000 1.033 457 T CA -0.239 61.889 62.100 0.047 0.000 1.084 457 T CB 1.648 70.548 68.868 0.053 0.000 0.979 457 T HN 0.148 nan 8.240 nan 0.000 0.532 458 E N 1.822 122.031 120.200 0.014 0.000 2.105 458 E HA 0.282 4.644 4.350 0.019 0.000 0.285 458 E C 0.437 177.038 176.600 0.002 0.000 1.055 458 E CA -0.512 55.891 56.400 0.006 0.000 0.843 458 E CB 0.116 29.819 29.700 0.004 0.000 1.067 458 E HN 0.424 nan 8.360 nan 0.000 0.398 459 V N 2.077 121.989 119.914 -0.002 0.000 3.548 459 V HA 0.279 4.411 4.120 0.019 0.000 0.279 459 V C 1.592 177.679 176.094 -0.011 0.000 1.446 459 V CA 0.025 62.321 62.300 -0.007 0.000 1.023 459 V CB -0.006 31.810 31.823 -0.012 0.000 0.820 459 V HN 0.469 nan 8.190 nan 0.000 0.438 460 R N 1.348 121.842 120.500 -0.010 0.000 2.120 460 R HA 0.022 4.374 4.340 0.019 0.000 0.234 460 R C 0.782 177.076 176.300 -0.011 0.000 1.123 460 R CA 1.526 57.620 56.100 -0.011 0.000 0.975 460 R CB -0.258 30.037 30.300 -0.008 0.000 0.866 460 R HN 0.481 nan 8.270 nan 0.000 0.446 461 N N 0.621 119.315 118.700 -0.009 0.000 2.455 461 N HA 0.165 4.917 4.740 0.019 0.000 0.258 461 N C -0.761 174.743 175.510 -0.011 0.000 1.158 461 N CA 0.275 53.320 53.050 -0.009 0.000 0.893 461 N CB 0.340 38.824 38.487 -0.006 0.000 1.173 461 N HN 0.097 nan 8.380 nan 0.000 0.503 462 L N -0.069 121.146 121.223 -0.014 0.000 2.333 462 L HA 0.448 4.800 4.340 0.019 0.000 0.269 462 L C 0.684 177.536 176.870 -0.030 0.000 1.010 462 L CA -0.934 53.897 54.840 -0.016 0.000 0.818 462 L CB 1.677 43.730 42.059 -0.011 0.000 1.306 462 L HN 0.031 nan 8.230 nan 0.000 0.430 463 S N 0.302 115.982 115.700 -0.033 0.000 2.589 463 S HA 0.140 4.622 4.470 0.019 0.000 0.265 463 S C 0.768 175.304 174.600 -0.106 0.000 1.342 463 S CA -0.561 57.601 58.200 -0.063 0.000 1.005 463 S CB 0.926 64.099 63.200 -0.045 0.000 0.909 463 S HN 0.622 nan 8.310 nan 0.000 0.555 464 K N 0.342 120.602 120.400 -0.233 0.000 2.152 464 K HA -0.081 4.250 4.320 0.019 0.000 0.206 464 K C 1.954 178.345 176.600 -0.349 0.000 1.048 464 K CA 1.211 57.236 56.287 -0.437 0.000 0.933 464 K CB -0.645 31.212 32.500 -1.072 0.000 0.721 464 K HN 0.447 nan 8.250 nan 0.000 0.447 465 V N 1.844 121.636 119.914 -0.203 0.000 2.287 465 V HA -0.263 3.869 4.120 0.019 0.000 0.248 465 V C 1.951 178.073 176.094 0.047 0.000 1.053 465 V CA 1.896 64.201 62.300 0.009 0.000 1.027 465 V CB -0.371 31.485 31.823 0.055 0.000 0.646 465 V HN 0.356 nan 8.190 nan 0.000 0.447 466 E N -0.352 119.858 120.200 0.017 0.000 2.107 466 E HA -0.197 4.165 4.350 0.019 0.000 0.191 466 E C 2.330 178.951 176.600 0.035 0.000 0.982 466 E CA 0.730 57.147 56.400 0.028 0.000 0.809 466 E CB -0.163 29.544 29.700 0.012 0.000 0.756 466 E HN 0.310 nan 8.360 nan 0.000 0.459 467 R N 1.368 121.887 120.500 0.031 0.000 2.193 467 R HA -0.074 4.278 4.340 0.019 0.000 0.229 467 R C 1.864 178.190 176.300 0.042 0.000 1.110 467 R CA 1.246 57.361 56.100 0.024 0.000 0.988 467 R CB -0.433 29.876 30.300 0.016 0.000 0.871 467 R HN 0.152 nan 8.270 nan 0.000 0.458 468 A N -0.064 122.839 122.820 0.137 0.000 2.019 468 A HA -0.073 4.259 4.320 0.019 0.000 0.219 468 A C 1.254 178.876 177.584 0.064 0.000 1.164 468 A CA 1.588 53.732 52.037 0.178 0.000 0.644 468 A CB -0.137 19.072 19.000 0.348 0.000 0.805 468 A HN 0.494 nan 8.150 nan 0.000 0.449 469 N N -1.666 117.062 118.700 0.048 0.000 2.184 469 N HA 0.258 5.010 4.740 0.019 0.000 0.234 469 N C 1.217 176.736 175.510 0.016 0.000 1.282 469 N CA 0.693 53.758 53.050 0.024 0.000 0.877 469 N CB 0.719 39.226 38.487 0.033 0.000 1.184 469 N HN 0.372 nan 8.380 nan 0.000 0.510 470 A N 0.395 123.222 122.820 0.012 0.000 1.898 470 A HA -0.111 4.221 4.320 0.019 0.000 0.216 470 A C 2.308 179.901 177.584 0.015 0.000 1.181 470 A CA 1.156 53.201 52.037 0.013 0.000 0.620 470 A CB -0.656 18.349 19.000 0.009 0.000 0.819 470 A HN 0.403 nan 8.150 nan 0.000 0.442 471 C N -0.201 119.105 119.300 0.010 0.000 2.446 471 C HA -0.016 4.456 4.460 0.019 0.000 0.279 471 C C 2.578 177.585 174.990 0.029 0.000 1.366 471 C CA 0.742 59.775 59.018 0.025 0.000 1.763 471 C CB -1.431 26.310 27.740 0.001 0.000 1.929 471 C HN 0.601 nan 8.230 nan 0.000 0.509 472 N N 1.274 119.978 118.700 0.007 0.000 2.216 472 N HA -0.074 4.678 4.740 0.019 0.000 0.183 472 N C 1.847 177.364 175.510 0.011 0.000 1.017 472 N CA 1.364 54.414 53.050 0.000 0.000 0.861 472 N CB -0.234 38.247 38.487 -0.010 0.000 0.986 472 N HN 0.471 nan 8.380 nan 0.000 0.428 473 S N 0.470 116.180 115.700 0.016 0.000 2.402 473 S HA -0.024 4.458 4.470 0.019 0.000 0.229 473 S C 2.284 176.889 174.600 0.007 0.000 1.021 473 S CA 0.435 58.644 58.200 0.015 0.000 0.974 473 S CB -0.222 62.989 63.200 0.018 0.000 0.800 473 S HN 0.051 nan 8.310 nan 0.000 0.484 474 V N 2.437 122.361 119.914 0.017 0.000 2.261 474 V HA -0.174 3.958 4.120 0.019 0.000 0.246 474 V C 2.141 178.229 176.094 -0.010 0.000 1.047 474 V CA 1.613 63.914 62.300 0.002 0.000 1.015 474 V CB -0.635 31.214 31.823 0.044 0.000 0.642 474 V HN 0.450 nan 8.190 nan 0.000 0.446 475 I N -0.570 120.032 120.570 0.053 0.000 2.208 475 I HA -0.290 3.892 4.170 0.019 0.000 0.245 475 I C 2.737 178.849 176.117 -0.008 0.000 1.097 475 I CA 1.662 62.995 61.300 0.055 0.000 1.363 475 I CB -0.478 37.558 38.000 0.060 0.000 1.051 475 I HN 0.218 nan 8.210 nan 0.000 0.413 476 R N 0.400 120.895 120.500 -0.007 0.000 2.127 476 R HA -0.210 4.142 4.340 0.019 0.000 0.238 476 R C 2.171 178.462 176.300 -0.015 0.000 1.134 476 R CA 1.296 57.391 56.100 -0.007 0.000 0.975 476 R CB -0.254 30.048 30.300 0.004 0.000 0.865 476 R HN 0.525 nan 8.270 nan 0.000 0.447 477 Q N 0.181 119.963 119.800 -0.030 0.000 2.369 477 Q HA -0.051 4.301 4.340 0.019 0.000 0.206 477 Q C 1.963 177.927 176.000 -0.061 0.000 0.963 477 Q CA 0.557 56.334 55.803 -0.043 0.000 0.894 477 Q CB 0.126 28.832 28.738 -0.054 0.000 0.965 477 Q HN 0.328 nan 8.270 nan 0.000 0.475 478 L N -0.538 120.640 121.223 -0.074 0.000 2.240 478 L HA 0.060 4.412 4.340 0.019 0.000 0.211 478 L C 0.100 176.951 176.870 -0.032 0.000 1.106 478 L CA 0.560 55.347 54.840 -0.087 0.000 0.793 478 L CB 0.483 42.469 42.059 -0.122 0.000 0.927 478 L HN 0.138 nan 8.230 nan 0.000 0.446 479 M N 0.103 119.700 119.600 -0.006 0.000 2.446 479 M HA 0.281 4.772 4.480 0.019 0.000 0.294 479 M C -0.987 175.328 176.300 0.025 0.000 1.158 479 M CA -0.405 54.913 55.300 0.029 0.000 0.899 479 M CB 1.932 34.584 32.600 0.086 0.000 1.687 479 M HN -0.153 nan 8.290 nan 0.000 0.455 480 K N 2.316 122.731 120.400 0.025 0.000 2.234 480 K HA 0.257 4.589 4.320 0.019 0.000 0.277 480 K C -0.320 176.301 176.600 0.035 0.000 1.038 480 K CA -0.327 55.977 56.287 0.027 0.000 0.888 480 K CB 1.070 33.587 32.500 0.027 0.000 1.091 480 K HN 0.563 nan 8.250 nan 0.000 0.467 481 K N 4.901 125.323 120.400 0.037 0.000 2.262 481 K HA 0.015 4.347 4.320 0.019 0.000 0.288 481 K C 0.290 176.917 176.600 0.045 0.000 1.090 481 K CA -0.159 56.147 56.287 0.032 0.000 0.918 481 K CB 0.704 33.227 32.500 0.038 0.000 1.139 481 K HN 0.641 nan 8.250 nan 0.000 0.462 482 E N 3.301 123.524 120.200 0.038 0.000 2.046 482 E HA -0.053 4.309 4.350 0.019 0.000 0.190 482 E C 0.382 177.116 176.600 0.224 0.000 0.982 482 E CA 1.108 57.588 56.400 0.133 0.000 0.800 482 E CB -0.059 29.773 29.700 0.220 0.000 0.756 482 E HN 0.578 nan 8.360 nan 0.000 0.449 483 F N -1.709 118.287 119.950 0.077 0.000 2.877 483 F HA 0.480 5.017 4.527 0.017 0.000 0.319 483 F C -0.988 174.841 175.800 0.047 0.000 1.174 483 F CA -1.206 56.814 58.000 0.034 0.000 0.903 483 F CB 1.299 40.284 39.000 -0.025 0.000 1.357 483 F HN -0.231 nan 8.300 nan 0.000 0.472 484 T N 0.082 114.792 114.554 0.260 0.000 2.886 484 T HA 0.680 5.042 4.350 0.019 0.000 0.292 484 T C -1.253 173.552 174.700 0.176 0.000 1.012 484 T CA -0.779 61.403 62.100 0.136 0.000 0.982 484 T CB 1.454 70.389 68.868 0.112 0.000 1.018 484 T HN 0.872 nan 8.240 nan 0.000 0.451 485 L N 3.302 124.557 121.223 0.054 0.000 2.302 485 L HA 0.382 4.733 4.340 0.019 0.000 0.285 485 L C 0.201 177.153 176.870 0.136 0.000 1.090 485 L CA -0.963 53.811 54.840 -0.110 0.000 0.866 485 L CB -0.078 41.737 42.059 -0.406 0.000 1.244 485 L HN 0.720 nan 8.230 nan 0.000 0.435 486 E N 2.005 122.344 120.200 0.232 0.000 2.534 486 E HA -0.081 4.280 4.350 0.019 0.000 0.264 486 E C -0.194 176.596 176.600 0.315 0.000 0.981 486 E CA 0.013 56.570 56.400 0.262 0.000 0.948 486 E CB 0.291 30.141 29.700 0.250 0.000 0.934 486 E HN 0.319 nan 8.360 nan 0.000 0.459 487 F N 2.062 122.094 119.950 0.137 0.000 2.642 487 F HA -0.028 4.515 4.527 0.026 0.000 0.371 487 F C 0.393 176.269 175.800 0.127 0.000 1.120 487 F CA 0.799 58.873 58.000 0.124 0.000 1.331 487 F CB 0.475 39.528 39.000 0.089 0.000 1.044 487 F HN 0.317 nan 8.300 nan 0.000 0.594 488 S N 5.531 120.820 115.700 -0.684 0.000 2.540 488 S HA 0.424 4.906 4.470 0.019 0.000 0.275 488 S C 0.205 174.311 174.600 -0.824 0.000 1.123 488 S CA -0.980 56.840 58.200 -0.635 0.000 0.907 488 S CB 1.723 64.788 63.200 -0.226 0.000 1.081 488 S HN 0.826 nan 8.310 nan 0.000 0.476 489 R N 1.213 121.367 120.500 -0.577 0.000 2.299 489 R HA 0.040 4.392 4.340 0.019 0.000 0.197 489 R C 0.900 177.120 176.300 -0.133 0.000 0.971 489 R CA 1.153 57.060 56.100 -0.322 0.000 1.030 489 R CB -0.106 30.121 30.300 -0.123 0.000 0.932 489 R HN 0.774 nan 8.270 nan 0.000 0.477 490 D N 0.884 121.203 120.400 -0.136 0.000 2.120 490 D HA -0.200 4.451 4.640 0.019 0.000 0.202 490 D C 1.812 178.092 176.300 -0.034 0.000 0.972 490 D CA 1.031 54.995 54.000 -0.060 0.000 0.837 490 D CB -0.370 40.389 40.800 -0.067 0.000 0.989 490 D HN 0.253 nan 8.370 nan 0.000 0.469 491 R N 0.794 121.261 120.500 -0.055 0.000 2.161 491 R HA 0.057 4.408 4.340 0.019 0.000 0.213 491 R C 0.376 176.695 176.300 0.031 0.000 1.055 491 R CA 0.312 56.413 56.100 0.002 0.000 0.996 491 R CB -0.382 29.934 30.300 0.027 0.000 0.901 491 R HN -0.082 nan 8.270 nan 0.000 0.456 492 K N 1.270 121.658 120.400 -0.021 0.000 3.125 492 K HA -0.173 4.159 4.320 0.019 0.000 0.268 492 K C -0.958 175.810 176.600 0.280 0.000 1.078 492 K CA 0.735 57.100 56.287 0.130 0.000 0.775 492 K CB -1.655 30.942 32.500 0.160 0.000 1.253 492 K HN 0.694 nan 8.250 nan 0.000 0.486 493 S N -1.141 114.718 115.700 0.264 0.000 2.636 493 S HA 0.772 5.254 4.470 0.019 0.000 0.268 493 S C -0.955 173.866 174.600 0.368 0.000 1.159 493 S CA -1.195 57.199 58.200 0.324 0.000 0.815 493 S CB 2.633 65.952 63.200 0.197 0.000 1.130 493 S HN 0.275 nan 8.310 nan 0.000 0.471 494 M N 1.048 120.832 119.600 0.307 0.000 2.484 494 M HA 0.715 5.207 4.480 0.019 0.000 0.289 494 M C -1.630 174.772 176.300 0.170 0.000 1.206 494 M CA -0.175 55.288 55.300 0.272 0.000 0.892 494 M CB 2.195 34.961 32.600 0.276 0.000 1.712 494 M HN 0.853 nan 8.290 nan 0.000 0.462 495 S N 1.510 117.290 115.700 0.134 0.000 2.599 495 S HA 0.901 5.383 4.470 0.019 0.000 0.287 495 S C -1.906 172.719 174.600 0.042 0.000 1.105 495 S CA -0.557 57.692 58.200 0.081 0.000 0.899 495 S CB 2.312 65.547 63.200 0.057 0.000 1.100 495 S HN 0.575 nan 8.310 nan 0.000 0.482 496 V N 3.081 122.997 119.914 0.003 0.000 2.655 496 V HA 0.379 4.511 4.120 0.019 0.000 0.301 496 V C -1.765 174.228 176.094 -0.169 0.000 1.082 496 V CA -0.599 61.670 62.300 -0.051 0.000 0.899 496 V CB 1.803 33.658 31.823 0.053 0.000 1.014 496 V HN 0.898 nan 8.190 nan 0.000 0.429 497 Y N 5.145 125.114 120.300 -0.552 0.000 2.367 497 Y HA 0.617 5.178 4.550 0.018 0.000 0.342 497 Y C 0.019 175.661 175.900 -0.431 0.000 0.979 497 Y CA -0.166 57.545 58.100 -0.648 0.000 1.161 497 Y CB 0.940 38.637 38.460 -1.271 0.000 1.155 497 Y HN 0.690 nan 8.280 nan 0.000 0.503 498 C N 3.753 122.755 119.300 -0.498 0.000 2.634 498 C HA 0.782 5.254 4.460 0.019 0.000 0.313 498 C C -0.569 174.263 174.990 -0.265 0.000 1.198 498 C CA -0.869 58.017 59.018 -0.220 0.000 1.605 498 C CB 1.188 28.934 27.740 0.010 0.000 2.196 498 C HN 0.888 nan 8.230 nan 0.000 0.486 499 S N 1.704 117.352 115.700 -0.086 0.000 2.566 499 S HA 0.769 5.251 4.470 0.019 0.000 0.298 499 S C -3.150 171.442 174.600 -0.013 0.000 1.083 499 S CA -1.247 56.919 58.200 -0.058 0.000 0.978 499 S CB 1.580 64.778 63.200 -0.003 0.000 1.073 499 S HN 0.601 nan 8.310 nan 0.000 0.491 500 P HA 0.201 nan 4.420 nan 0.000 0.269 500 P C 0.385 177.682 177.300 -0.005 0.000 1.209 500 P CA -0.175 62.923 63.100 -0.004 0.000 0.776 500 P CB 0.692 32.386 31.700 -0.009 0.000 0.876 501 A N 3.104 125.917 122.820 -0.011 0.000 1.943 501 A HA -0.036 4.295 4.320 0.019 0.000 0.213 501 A C 1.786 179.363 177.584 -0.011 0.000 1.181 501 A CA 1.176 53.206 52.037 -0.010 0.000 0.653 501 A CB -0.489 18.499 19.000 -0.020 0.000 0.833 501 A HN 0.351 nan 8.150 nan 0.000 0.451 502 K N -0.608 119.781 120.400 -0.017 0.000 2.426 502 K HA 0.186 4.518 4.320 0.019 0.000 0.193 502 K C 0.812 177.406 176.600 -0.009 0.000 1.028 502 K CA 0.772 57.050 56.287 -0.015 0.000 1.047 502 K CB 0.156 32.643 32.500 -0.021 0.000 0.821 502 K HN 0.285 nan 8.250 nan 0.000 0.513 503 S N -0.623 115.074 115.700 -0.006 0.000 3.382 503 S HA -0.235 4.246 4.470 0.019 0.000 0.293 503 S C 1.268 175.865 174.600 -0.005 0.000 1.262 503 S CA 0.783 58.982 58.200 -0.002 0.000 0.969 503 S CB -1.885 61.316 63.200 0.002 0.000 1.136 503 S HN 0.529 nan 8.310 nan 0.000 0.635 504 S N 0.939 116.633 115.700 -0.010 0.000 2.365 504 S HA -0.068 4.414 4.470 0.019 0.000 0.221 504 S C 0.871 175.466 174.600 -0.009 0.000 1.037 504 S CA 0.714 58.908 58.200 -0.011 0.000 1.060 504 S CB -0.242 62.949 63.200 -0.015 0.000 0.974 504 S HN 0.559 nan 8.310 nan 0.000 0.427 505 R N 1.870 122.364 120.500 -0.009 0.000 2.239 505 R HA 0.570 4.922 4.340 0.019 0.000 0.332 505 R C -0.578 175.718 176.300 -0.006 0.000 0.988 505 R CA 0.043 56.138 56.100 -0.008 0.000 0.859 505 R CB 0.725 31.020 30.300 -0.009 0.000 1.148 505 R HN 0.444 nan 8.270 nan 0.000 0.482 506 A N 1.798 124.616 122.820 -0.003 0.000 3.105 506 A HA 0.491 4.823 4.320 0.019 0.000 0.272 506 A C 0.725 178.309 177.584 0.001 0.000 1.466 506 A CA 0.309 52.347 52.037 0.001 0.000 1.101 506 A CB 0.004 19.007 19.000 0.004 0.000 1.065 506 A HN 0.698 nan 8.150 nan 0.000 0.643 507 A N -1.328 121.489 122.820 -0.004 0.000 2.370 507 A HA 0.173 4.505 4.320 0.019 0.000 0.219 507 A C 0.744 178.319 177.584 -0.014 0.000 2.776 507 A CA 0.505 52.538 52.037 -0.006 0.000 1.633 507 A CB -0.933 18.066 19.000 -0.002 0.000 0.390 507 A HN 0.903 nan 8.150 nan 0.000 0.611 508 V N 0.577 120.480 119.914 -0.017 0.000 3.444 508 V HA 0.416 4.548 4.120 0.019 0.000 0.271 508 V C 0.950 177.024 176.094 -0.033 0.000 1.188 508 V CA 2.343 64.631 62.300 -0.020 0.000 1.168 508 V CB 0.018 31.832 31.823 -0.016 0.000 0.810 508 V HN 2.013 nan 8.190 nan 0.000 0.500 509 G N 0.251 109.025 108.800 -0.043 0.000 2.957 509 G HA2 -0.088 3.883 3.960 0.019 0.000 0.636 509 G HA3 -0.088 3.883 3.960 0.019 0.000 0.636 509 G C -0.904 173.927 174.900 -0.114 0.000 1.401 509 G CA -0.636 44.422 45.100 -0.071 0.000 0.941 509 G HN 0.244 nan 8.290 nan 0.000 0.610 510 N N 0.978 119.583 118.700 -0.160 0.000 2.445 510 N HA 0.650 5.402 4.740 0.019 0.000 0.264 510 N C 0.094 175.351 175.510 -0.423 0.000 1.227 510 N CA -0.048 52.812 53.050 -0.316 0.000 0.963 510 N CB 1.002 39.249 38.487 -0.400 0.000 1.188 510 N HN 0.518 nan 8.380 nan 0.000 0.491 511 K N 0.768 120.786 120.400 -0.636 0.000 2.482 511 K HA 0.481 4.813 4.320 0.019 0.000 0.257 511 K C -0.627 175.419 176.600 -0.924 0.000 0.969 511 K CA -0.460 55.382 56.287 -0.741 0.000 0.842 511 K CB 2.071 34.020 32.500 -0.918 0.000 1.359 511 K HN 0.474 nan 8.250 nan 0.000 0.441 512 M N 1.696 120.853 119.600 -0.739 0.000 2.311 512 M HA 0.454 4.946 4.480 0.019 0.000 0.325 512 M C -1.022 174.935 176.300 -0.572 0.000 1.061 512 M CA -0.722 54.239 55.300 -0.564 0.000 0.957 512 M CB 0.998 33.455 32.600 -0.239 0.000 1.646 512 M HN 0.298 nan 8.290 nan 0.000 0.434 513 F N 2.138 122.033 119.950 -0.091 0.000 2.427 513 F HA 0.632 5.171 4.527 0.019 0.000 0.346 513 F C -0.213 175.569 175.800 -0.030 0.000 1.120 513 F CA -0.933 57.030 58.000 -0.061 0.000 1.033 513 F CB 1.269 40.228 39.000 -0.069 0.000 1.126 513 F HN 0.148 nan 8.300 nan 0.000 0.462 514 V N 3.656 123.659 119.914 0.148 0.000 2.604 514 V HA 0.598 4.730 4.120 0.019 0.000 0.305 514 V C -0.563 175.581 176.094 0.083 0.000 1.043 514 V CA -1.132 61.231 62.300 0.106 0.000 0.888 514 V CB 2.023 33.902 31.823 0.093 0.000 0.995 514 V HN 0.747 nan 8.190 nan 0.000 0.429 515 K N 2.497 122.949 120.400 0.085 0.000 2.469 515 K HA 0.950 5.281 4.320 0.019 0.000 0.254 515 K C -0.412 176.249 176.600 0.102 0.000 0.939 515 K CA -0.453 55.871 56.287 0.062 0.000 0.812 515 K CB 2.786 35.301 32.500 0.025 0.000 1.301 515 K HN 1.034 nan 8.250 nan 0.000 0.433 516 G N 0.303 109.160 108.800 0.095 0.000 2.340 516 G HA2 0.471 4.443 3.960 0.019 0.000 0.299 516 G HA3 0.471 4.443 3.960 0.019 0.000 0.299 516 G C -1.566 173.409 174.900 0.125 0.000 1.291 516 G CA -0.574 44.611 45.100 0.140 0.000 0.841 516 G HN 0.738 nan 8.290 nan 0.000 0.500 517 A N 0.464 123.376 122.820 0.154 0.000 2.548 517 A HA 0.545 4.877 4.320 0.019 0.000 0.247 517 A C -0.881 176.774 177.584 0.117 0.000 1.067 517 A CA 0.046 52.162 52.037 0.131 0.000 0.757 517 A CB 0.117 19.201 19.000 0.141 0.000 0.996 517 A HN 0.325 nan 8.150 nan 0.000 0.504 518 P HA -0.233 nan 4.420 nan 0.000 0.216 518 P C 1.444 178.806 177.300 0.103 0.000 1.153 518 P CA 1.707 64.878 63.100 0.118 0.000 0.858 518 P CB 0.152 31.919 31.700 0.112 0.000 0.789 519 E N -0.360 119.890 120.200 0.084 0.000 2.017 519 E HA -0.159 4.202 4.350 0.019 0.000 0.193 519 E C 2.341 178.983 176.600 0.069 0.000 0.997 519 E CA 2.029 58.468 56.400 0.065 0.000 0.804 519 E CB -1.893 27.841 29.700 0.056 0.000 0.757 519 E HN 0.196 nan 8.360 nan 0.000 0.448 520 G N 1.550 110.398 108.800 0.080 0.000 2.446 520 G HA2 -0.229 3.742 3.960 0.019 0.000 0.217 520 G HA3 -0.229 3.742 3.960 0.019 0.000 0.217 520 G C 1.865 176.817 174.900 0.087 0.000 1.168 520 G CA 1.561 46.709 45.100 0.080 0.000 0.771 520 G HN 0.228 nan 8.290 nan 0.000 0.551 521 V N 0.940 120.918 119.914 0.107 0.000 2.270 521 V HA -0.112 4.020 4.120 0.019 0.000 0.245 521 V C 2.796 178.968 176.094 0.131 0.000 1.043 521 V CA 1.580 63.953 62.300 0.123 0.000 1.014 521 V CB -0.397 31.509 31.823 0.138 0.000 0.645 521 V HN 0.379 nan 8.190 nan 0.000 0.447 522 I N 0.328 120.977 120.570 0.132 0.000 2.208 522 I HA -0.273 3.908 4.170 0.019 0.000 0.245 522 I C 2.222 178.368 176.117 0.049 0.000 1.097 522 I CA 1.684 63.044 61.300 0.099 0.000 1.363 522 I CB -0.512 37.509 38.000 0.036 0.000 1.051 522 I HN 0.332 nan 8.210 nan 0.000 0.413 523 D N 0.777 121.203 120.400 0.042 0.000 2.221 523 D HA -0.152 4.500 4.640 0.019 0.000 0.204 523 D C 1.813 178.130 176.300 0.029 0.000 0.982 523 D CA 1.096 55.111 54.000 0.025 0.000 0.857 523 D CB -0.231 40.585 40.800 0.027 0.000 0.934 523 D HN 0.413 nan 8.370 nan 0.000 0.475 524 R N -0.398 120.132 120.500 0.052 0.000 2.391 524 R HA 0.196 4.547 4.340 0.019 0.000 0.249 524 R C -0.082 176.250 176.300 0.052 0.000 0.957 524 R CA -0.175 55.955 56.100 0.050 0.000 1.093 524 R CB 0.092 30.433 30.300 0.068 0.000 1.156 524 R HN 0.045 nan 8.270 nan 0.000 0.526 525 C N 1.357 120.687 119.300 0.051 0.000 2.330 525 C HA 0.292 4.764 4.460 0.019 0.000 0.344 525 C C 1.183 176.144 174.990 -0.049 0.000 1.273 525 C CA -0.764 58.286 59.018 0.054 0.000 1.879 525 C CB 0.811 28.629 27.740 0.130 0.000 2.376 525 C HN 0.496 nan 8.230 nan 0.000 0.534 526 N N 0.573 119.169 118.700 -0.173 0.000 2.250 526 N HA 0.122 4.874 4.740 0.019 0.000 0.190 526 N C -0.760 174.404 175.510 -0.577 0.000 1.116 526 N CA 0.502 53.290 53.050 -0.437 0.000 0.881 526 N CB 0.417 38.494 38.487 -0.683 0.000 1.006 526 N HN 0.672 nan 8.380 nan 0.000 0.491 527 Y N -0.515 119.826 120.300 0.068 0.000 2.524 527 Y HA 0.554 5.117 4.550 0.023 0.000 0.344 527 Y C -0.022 175.950 175.900 0.119 0.000 1.012 527 Y CA -0.990 57.156 58.100 0.076 0.000 1.068 527 Y CB 1.658 40.159 38.460 0.068 0.000 1.249 527 Y HN -0.414 nan 8.280 nan 0.000 0.468 528 V N 2.832 122.918 119.914 0.286 0.000 2.448 528 V HA 0.456 4.588 4.120 0.019 0.000 0.295 528 V C -0.414 175.826 176.094 0.244 0.000 1.025 528 V CA -0.974 61.492 62.300 0.277 0.000 0.859 528 V CB 1.586 33.514 31.823 0.175 0.000 0.988 528 V HN 0.707 nan 8.190 nan 0.000 0.431 529 R N 4.218 124.863 120.500 0.242 0.000 2.389 529 R HA 0.525 4.876 4.340 0.019 0.000 0.295 529 R C -1.198 175.199 176.300 0.161 0.000 1.075 529 R CA -0.115 56.081 56.100 0.159 0.000 1.005 529 R CB 1.012 31.378 30.300 0.111 0.000 0.987 529 R HN 0.500 nan 8.270 nan 0.000 0.452 530 V N 6.246 126.236 119.914 0.126 0.000 2.325 530 V HA 0.431 4.563 4.120 0.019 0.000 0.280 530 V C 1.078 177.235 176.094 0.105 0.000 1.016 530 V CA 0.131 62.505 62.300 0.123 0.000 0.818 530 V CB 0.341 32.230 31.823 0.110 0.000 1.019 530 V HN 1.153 nan 8.190 nan 0.000 0.434 531 G N 4.919 113.788 108.800 0.116 0.000 2.620 531 G HA2 -0.365 3.607 3.960 0.019 0.000 0.315 531 G HA3 -0.365 3.607 3.960 0.019 0.000 0.315 531 G C 0.971 175.914 174.900 0.072 0.000 1.179 531 G CA 0.925 46.086 45.100 0.101 0.000 0.971 531 G HN 0.672 nan 8.290 nan 0.000 0.544 532 T N 1.212 115.799 114.554 0.056 0.000 3.069 532 T HA 0.438 4.799 4.350 0.019 0.000 0.252 532 T C 1.041 175.761 174.700 0.035 0.000 1.053 532 T CA 1.534 63.658 62.100 0.041 0.000 0.964 532 T CB -0.178 68.709 68.868 0.032 0.000 1.005 532 T HN 0.566 nan 8.240 nan 0.000 0.532 533 T N 1.879 116.459 114.554 0.044 0.000 2.902 533 T HA 0.517 4.879 4.350 0.019 0.000 0.280 533 T C -0.342 174.384 174.700 0.044 0.000 0.992 533 T CA -0.607 61.515 62.100 0.037 0.000 1.015 533 T CB 1.303 70.199 68.868 0.047 0.000 1.044 533 T HN 0.044 nan 8.240 nan 0.000 0.520 534 R N 1.210 121.726 120.500 0.026 0.000 2.628 534 R HA 0.695 5.047 4.340 0.019 0.000 0.288 534 R C -1.521 174.816 176.300 0.062 0.000 0.980 534 R CA -0.626 55.494 56.100 0.033 0.000 0.891 534 R CB 1.441 31.700 30.300 -0.069 0.000 1.188 534 R HN 0.541 nan 8.270 nan 0.000 0.450 535 V N 0.730 120.725 119.914 0.134 0.000 3.114 535 V HA 0.687 4.818 4.120 0.019 0.000 0.308 535 V C -2.908 173.327 176.094 0.235 0.000 1.168 535 V CA -2.589 59.802 62.300 0.152 0.000 1.015 535 V CB 2.087 33.974 31.823 0.107 0.000 1.050 535 V HN 0.631 nan 8.190 nan 0.000 0.433 536 P HA 0.307 nan 4.420 nan 0.000 0.269 536 P C -0.465 176.873 177.300 0.063 0.000 1.215 536 P CA -0.230 62.959 63.100 0.147 0.000 0.780 536 P CB 0.297 32.047 31.700 0.083 0.000 0.898 537 M N 3.036 122.629 119.600 -0.012 0.000 2.228 537 M HA 0.288 4.779 4.480 0.019 0.000 0.351 537 M C -0.146 176.130 176.300 -0.040 0.000 1.233 537 M CA 0.908 56.188 55.300 -0.033 0.000 1.129 537 M CB -0.185 32.375 32.600 -0.067 0.000 1.604 537 M HN 0.495 nan 8.290 nan 0.000 0.457 538 T N 1.345 115.873 114.554 -0.042 0.000 2.887 538 T HA 0.705 5.067 4.350 0.019 0.000 0.292 538 T C 0.870 175.538 174.700 -0.054 0.000 1.087 538 T CA -0.558 61.519 62.100 -0.039 0.000 1.009 538 T CB 1.066 69.921 68.868 -0.021 0.000 1.203 538 T HN 0.691 nan 8.240 nan 0.000 0.518 539 G N 1.002 109.775 108.800 -0.045 0.000 2.545 539 G HA2 -0.088 3.884 3.960 0.019 0.000 0.217 539 G HA3 -0.088 3.884 3.960 0.019 0.000 0.217 539 G C -0.909 173.952 174.900 -0.064 0.000 1.218 539 G CA 1.167 46.237 45.100 -0.050 0.000 0.787 539 G HN 0.664 nan 8.290 nan 0.000 0.571 540 P HA -0.044 nan 4.420 nan 0.000 0.216 540 P C 2.114 179.348 177.300 -0.110 0.000 1.150 540 P CA 0.916 63.973 63.100 -0.071 0.000 0.837 540 P CB -0.132 31.540 31.700 -0.046 0.000 0.786 541 V N 0.552 120.400 119.914 -0.110 0.000 2.261 541 V HA -0.265 3.867 4.120 0.019 0.000 0.246 541 V C 2.544 178.527 176.094 -0.185 0.000 1.047 541 V CA 1.919 64.131 62.300 -0.147 0.000 1.015 541 V CB -1.080 30.673 31.823 -0.117 0.000 0.642 541 V HN 0.137 nan 8.190 nan 0.000 0.446 542 K N 0.099 120.403 120.400 -0.160 0.000 2.020 542 K HA -0.270 4.061 4.320 0.019 0.000 0.212 542 K C 2.178 178.689 176.600 -0.149 0.000 1.050 542 K CA 2.215 58.402 56.287 -0.167 0.000 0.929 542 K CB -0.224 32.206 32.500 -0.116 0.000 0.714 542 K HN 0.561 nan 8.250 nan 0.000 0.443 543 E N 0.207 120.334 120.200 -0.121 0.000 2.085 543 E HA -0.214 4.148 4.350 0.019 0.000 0.194 543 E C 2.090 178.602 176.600 -0.147 0.000 0.994 543 E CA 0.990 57.322 56.400 -0.113 0.000 0.801 543 E CB 0.045 29.690 29.700 -0.092 0.000 0.743 543 E HN 0.115 nan 8.360 nan 0.000 0.453 544 K N 1.111 121.402 120.400 -0.181 0.000 2.002 544 K HA -0.117 4.214 4.320 0.019 0.000 0.209 544 K C 2.016 178.450 176.600 -0.275 0.000 1.048 544 K CA 1.106 57.250 56.287 -0.237 0.000 0.930 544 K CB -0.540 31.794 32.500 -0.277 0.000 0.714 544 K HN 0.150 nan 8.250 nan 0.000 0.438 545 I N 0.943 121.362 120.570 -0.252 0.000 2.127 545 I HA -0.332 3.849 4.170 0.019 0.000 0.241 545 I C 2.328 178.387 176.117 -0.095 0.000 1.075 545 I CA 1.190 62.385 61.300 -0.175 0.000 1.334 545 I CB -0.259 37.576 38.000 -0.275 0.000 1.040 545 I HN 0.103 nan 8.210 nan 0.000 0.405 546 L N 0.332 121.487 121.223 -0.112 0.000 2.083 546 L HA -0.199 4.153 4.340 0.019 0.000 0.209 546 L C 2.774 179.586 176.870 -0.097 0.000 1.083 546 L CA 1.667 56.464 54.840 -0.071 0.000 0.752 546 L CB -0.619 41.402 42.059 -0.062 0.000 0.899 546 L HN 0.370 nan 8.230 nan 0.000 0.433 547 S N -1.065 114.550 115.700 -0.141 0.000 2.402 547 S HA -0.104 4.378 4.470 0.019 0.000 0.229 547 S C 1.861 176.346 174.600 -0.191 0.000 1.021 547 S CA 0.874 58.989 58.200 -0.140 0.000 0.974 547 S CB -0.678 62.439 63.200 -0.138 0.000 0.800 547 S HN 0.184 nan 8.310 nan 0.000 0.484 548 V N 1.916 121.644 119.914 -0.310 0.000 2.626 548 V HA -0.045 4.087 4.120 0.019 0.000 0.252 548 V C 2.260 178.071 176.094 -0.473 0.000 1.067 548 V CA 1.244 63.242 62.300 -0.504 0.000 1.081 548 V CB -0.789 30.531 31.823 -0.839 0.000 0.686 548 V HN 0.470 nan 8.190 nan 0.000 0.468 549 I N -0.212 120.239 120.570 -0.198 0.000 2.163 549 I HA -0.201 3.981 4.170 0.019 0.000 0.240 549 I C 2.610 178.739 176.117 0.020 0.000 1.081 549 I CA 1.323 62.602 61.300 -0.035 0.000 1.353 549 I CB -0.306 37.720 38.000 0.044 0.000 1.054 549 I HN 0.211 nan 8.210 nan 0.000 0.407 550 K N 1.315 121.708 120.400 -0.013 0.000 2.059 550 K HA -0.279 4.053 4.320 0.019 0.000 0.212 550 K C 1.968 178.591 176.600 0.038 0.000 1.050 550 K CA 1.853 58.146 56.287 0.010 0.000 0.927 550 K CB -0.376 32.113 32.500 -0.019 0.000 0.714 550 K HN 0.338 nan 8.250 nan 0.000 0.447 551 E N -0.995 119.207 120.200 0.003 0.000 2.023 551 E HA -0.215 4.146 4.350 0.019 0.000 0.196 551 E C 1.735 178.481 176.600 0.244 0.000 1.003 551 E CA 1.657 58.099 56.400 0.071 0.000 0.809 551 E CB -0.278 29.424 29.700 0.004 0.000 0.755 551 E HN 0.401 nan 8.360 nan 0.000 0.449 552 W N 0.229 121.556 121.300 0.044 0.000 2.342 552 W HA 0.002 4.674 4.660 0.020 0.000 0.297 552 W C 2.386 178.928 176.519 0.038 0.000 1.213 552 W CA 1.199 58.573 57.345 0.049 0.000 1.251 552 W CB -1.233 28.276 29.460 0.083 0.000 1.136 552 W HN 0.275 nan 8.180 nan 0.000 0.526 553 G N -1.533 107.433 108.800 0.277 0.000 2.511 553 G HA2 -0.105 3.867 3.960 0.019 0.000 0.217 553 G HA3 -0.105 3.867 3.960 0.019 0.000 0.217 553 G C 1.339 176.306 174.900 0.110 0.000 1.133 553 G CA 1.451 46.651 45.100 0.166 0.000 0.792 553 G HN 0.240 nan 8.290 nan 0.000 0.539 554 T N -0.126 114.492 114.554 0.106 0.000 2.990 554 T HA 0.303 4.664 4.350 0.019 0.000 0.249 554 T C 1.650 176.389 174.700 0.064 0.000 1.039 554 T CA 0.236 62.377 62.100 0.069 0.000 1.036 554 T CB 0.541 69.440 68.868 0.051 0.000 0.994 554 T HN 0.325 nan 8.240 nan 0.000 0.489 555 G N 0.974 109.826 108.800 0.087 0.000 2.529 555 G HA2 0.129 4.101 3.960 0.019 0.000 0.277 555 G HA3 0.129 4.101 3.960 0.019 0.000 0.277 555 G C 0.644 175.568 174.900 0.041 0.000 1.383 555 G CA -0.528 44.613 45.100 0.068 0.000 1.050 555 G HN 0.263 nan 8.290 nan 0.000 0.526 556 R N -0.968 119.547 120.500 0.024 0.000 2.276 556 R HA 0.017 4.368 4.340 0.019 0.000 0.203 556 R C 1.045 177.341 176.300 -0.006 0.000 1.017 556 R CA 0.678 56.782 56.100 0.007 0.000 1.010 556 R CB 0.174 30.475 30.300 0.001 0.000 0.900 556 R HN 0.370 nan 8.270 nan 0.000 0.469 557 D N -0.275 120.117 120.400 -0.013 0.000 2.346 557 D HA -0.001 4.651 4.640 0.019 0.000 0.206 557 D C 0.025 176.315 176.300 -0.015 0.000 1.001 557 D CA 0.598 54.578 54.000 -0.034 0.000 0.871 557 D CB 0.413 41.167 40.800 -0.076 0.000 0.943 557 D HN -0.054 nan 8.370 nan 0.000 0.518 558 T N 0.909 115.472 114.554 0.015 0.000 3.803 558 T HA -0.205 4.156 4.350 0.019 0.000 0.376 558 T C 0.396 175.118 174.700 0.036 0.000 0.761 558 T CA 0.097 62.216 62.100 0.031 0.000 1.962 558 T CB -1.778 67.099 68.868 0.014 0.000 1.780 558 T HN 0.224 nan 8.240 nan 0.000 0.771 559 L N 0.679 121.936 121.223 0.057 0.000 2.416 559 L HA 0.302 4.653 4.340 0.019 0.000 0.272 559 L C 1.207 178.129 176.870 0.086 0.000 1.161 559 L CA -0.293 54.577 54.840 0.051 0.000 0.845 559 L CB 0.495 42.580 42.059 0.043 0.000 1.119 559 L HN 0.317 nan 8.230 nan 0.000 0.464 560 R N 2.770 123.305 120.500 0.058 0.000 2.248 560 R HA 0.318 4.669 4.340 0.019 0.000 0.328 560 R C -1.118 175.234 176.300 0.087 0.000 1.067 560 R CA -0.439 55.700 56.100 0.065 0.000 0.924 560 R CB 0.497 30.820 30.300 0.039 0.000 1.013 560 R HN 0.648 nan 8.270 nan 0.000 0.454 561 C N 4.695 124.063 119.300 0.113 0.000 2.397 561 C HA 0.637 5.109 4.460 0.019 0.000 0.343 561 C C -0.691 174.353 174.990 0.091 0.000 1.188 561 C CA -0.784 58.315 59.018 0.134 0.000 1.992 561 C CB 1.093 28.945 27.740 0.187 0.000 2.358 561 C HN 0.745 nan 8.230 nan 0.000 0.518 562 L N 1.861 123.127 121.223 0.072 0.000 2.422 562 L HA 0.768 5.120 4.340 0.019 0.000 0.264 562 L C -0.154 176.729 176.870 0.021 0.000 0.984 562 L CA -0.056 54.810 54.840 0.044 0.000 0.819 562 L CB 1.640 43.708 42.059 0.015 0.000 1.330 562 L HN 0.868 nan 8.230 nan 0.000 0.410 563 A N 4.258 127.100 122.820 0.037 0.000 2.325 563 A HA 0.896 5.228 4.320 0.019 0.000 0.333 563 A C -1.453 176.106 177.584 -0.041 0.000 1.155 563 A CA -0.430 51.618 52.037 0.018 0.000 0.814 563 A CB 0.872 19.961 19.000 0.148 0.000 1.206 563 A HN 0.591 nan 8.150 nan 0.000 0.482 564 L N 1.146 122.263 121.223 -0.176 0.000 2.385 564 L HA 0.790 5.142 4.340 0.019 0.000 0.273 564 L C 0.200 176.938 176.870 -0.220 0.000 0.990 564 L CA -0.057 54.685 54.840 -0.163 0.000 0.821 564 L CB 2.034 43.975 42.059 -0.196 0.000 1.279 564 L HN 0.896 nan 8.230 nan 0.000 0.412 565 A N 1.580 124.362 122.820 -0.063 0.000 2.569 565 A HA 0.964 5.295 4.320 0.019 0.000 0.290 565 A C -0.892 176.731 177.584 0.066 0.000 1.136 565 A CA -0.531 51.498 52.037 -0.013 0.000 0.710 565 A CB 2.042 21.082 19.000 0.066 0.000 1.303 565 A HN 0.497 nan 8.150 nan 0.000 0.413 566 T N 0.512 115.112 114.554 0.076 0.000 2.893 566 T HA 0.543 4.905 4.350 0.019 0.000 0.291 566 T C -0.385 174.321 174.700 0.011 0.000 1.028 566 T CA -0.480 61.653 62.100 0.055 0.000 0.995 566 T CB 1.400 70.329 68.868 0.102 0.000 1.051 566 T HN 0.632 nan 8.240 nan 0.000 0.470 567 R N 2.031 122.487 120.500 -0.074 0.000 2.204 567 R HA 0.223 4.575 4.340 0.019 0.000 0.341 567 R C 0.111 176.349 176.300 -0.103 0.000 1.035 567 R CA -0.406 55.668 56.100 -0.043 0.000 0.887 567 R CB 0.229 30.507 30.300 -0.036 0.000 1.114 567 R HN 0.558 nan 8.270 nan 0.000 0.473 568 D N 1.866 122.239 120.400 -0.046 0.000 2.117 568 D HA -0.083 4.569 4.640 0.019 0.000 0.197 568 D C -0.129 176.113 176.300 -0.097 0.000 0.987 568 D CA 1.545 55.496 54.000 -0.082 0.000 0.829 568 D CB 0.390 41.142 40.800 -0.080 0.000 0.961 568 D HN 0.456 nan 8.370 nan 0.000 0.460 569 T N 2.849 117.369 114.554 -0.057 0.000 3.064 569 T HA 0.355 4.717 4.350 0.019 0.000 0.367 569 T C -2.540 172.147 174.700 -0.021 0.000 1.202 569 T CA -1.383 60.691 62.100 -0.043 0.000 1.133 569 T CB 2.213 71.074 68.868 -0.012 0.000 1.074 569 T HN -0.095 nan 8.240 nan 0.000 0.519 570 P HA 0.418 nan 4.420 nan 0.000 0.276 570 P C -2.444 174.898 177.300 0.070 0.000 1.252 570 P CA -1.533 61.571 63.100 0.006 0.000 0.802 570 P CB -0.232 31.431 31.700 -0.061 0.000 1.035 571 P HA 0.197 nan 4.420 nan 0.000 0.274 571 P C -0.468 176.881 177.300 0.082 0.000 1.260 571 P CA -0.241 62.893 63.100 0.056 0.000 0.793 571 P CB 0.433 32.129 31.700 -0.007 0.000 1.048 572 K N 0.777 121.194 120.400 0.028 0.000 2.218 572 K HA 0.198 4.530 4.320 0.019 0.000 0.276 572 K C 1.533 178.090 176.600 -0.072 0.000 1.022 572 K CA -0.243 56.059 56.287 0.024 0.000 0.946 572 K CB 0.627 33.133 32.500 0.011 0.000 1.000 572 K HN 0.282 nan 8.250 nan 0.000 0.468 573 R N 1.712 122.136 120.500 -0.125 0.000 2.154 573 R HA -0.231 4.121 4.340 0.019 0.000 0.248 573 R C 1.324 177.506 176.300 -0.196 0.000 1.155 573 R CA 1.744 57.692 56.100 -0.253 0.000 0.979 573 R CB -0.084 30.081 30.300 -0.225 0.000 0.869 573 R HN 0.594 nan 8.270 nan 0.000 0.452 574 E N 0.390 120.520 120.200 -0.117 0.000 2.152 574 E HA -0.149 4.213 4.350 0.019 0.000 0.192 574 E C 1.721 178.274 176.600 -0.080 0.000 0.983 574 E CA 0.656 57.003 56.400 -0.088 0.000 0.818 574 E CB -0.052 29.618 29.700 -0.050 0.000 0.758 574 E HN 0.265 nan 8.360 nan 0.000 0.467 575 E N 0.213 120.365 120.200 -0.081 0.000 2.347 575 E HA -0.072 4.290 4.350 0.019 0.000 0.196 575 E C -0.056 176.479 176.600 -0.109 0.000 1.008 575 E CA 0.328 56.691 56.400 -0.060 0.000 0.852 575 E CB 0.164 29.843 29.700 -0.034 0.000 0.783 575 E HN 0.278 nan 8.360 nan 0.000 0.505 576 M N 1.603 121.063 119.600 -0.234 0.000 2.080 576 M HA 0.192 4.683 4.480 0.019 0.000 0.350 576 M C -0.720 175.485 176.300 -0.158 0.000 1.173 576 M CA -0.525 54.523 55.300 -0.420 0.000 1.052 576 M CB 1.933 34.163 32.600 -0.616 0.000 1.577 576 M HN -0.304 nan 8.290 nan 0.000 0.455 577 V N 5.224 125.209 119.914 0.118 0.000 2.350 577 V HA 0.136 4.268 4.120 0.019 0.000 0.276 577 V C 0.538 176.787 176.094 0.258 0.000 1.028 577 V CA -0.482 61.904 62.300 0.144 0.000 0.860 577 V CB 1.259 33.176 31.823 0.156 0.000 0.990 577 V HN 0.732 nan 8.190 nan 0.000 0.453 578 L N 3.172 124.458 121.223 0.106 0.000 2.612 578 L HA 0.195 4.547 4.340 0.019 0.000 0.230 578 L C 1.285 178.288 176.870 0.221 0.000 1.140 578 L CA 0.974 55.913 54.840 0.165 0.000 0.896 578 L CB -0.601 41.396 42.059 -0.103 0.000 1.065 578 L HN 0.592 nan 8.230 nan 0.000 0.447 579 D N -1.410 119.075 120.400 0.141 0.000 2.262 579 D HA -0.014 4.638 4.640 0.019 0.000 0.212 579 D C 0.649 176.956 176.300 0.012 0.000 0.964 579 D CA 0.683 54.721 54.000 0.063 0.000 0.875 579 D CB 0.256 41.074 40.800 0.031 0.000 0.996 579 D HN 0.072 nan 8.370 nan 0.000 0.497 580 D N 0.007 120.397 120.400 -0.017 0.000 2.427 580 D HA 0.066 4.718 4.640 0.019 0.000 0.226 580 D C 0.852 176.897 176.300 -0.424 0.000 1.076 580 D CA -0.130 53.780 54.000 -0.149 0.000 0.849 580 D CB 1.391 42.130 40.800 -0.102 0.000 1.052 580 D HN -0.201 nan 8.370 nan 0.000 0.515 581 S N 2.373 117.682 115.700 -0.653 0.000 2.488 581 S HA -0.184 4.298 4.470 0.019 0.000 0.246 581 S C 1.694 175.715 174.600 -0.965 0.000 0.992 581 S CA 1.768 59.169 58.200 -1.331 0.000 0.963 581 S CB -0.059 62.731 63.200 -0.683 0.000 0.754 581 S HN 0.498 nan 8.310 nan 0.000 0.519 582 S N 0.375 115.772 115.700 -0.505 0.000 2.562 582 S HA 0.164 4.645 4.470 0.019 0.000 0.221 582 S C 1.504 175.951 174.600 -0.255 0.000 0.975 582 S CA -0.262 57.757 58.200 -0.302 0.000 0.918 582 S CB -0.257 62.827 63.200 -0.194 0.000 0.772 582 S HN 0.646 nan 8.310 nan 0.000 0.531 583 R N -0.281 120.038 120.500 -0.302 0.000 2.312 583 R HA 0.333 4.685 4.340 0.019 0.000 0.205 583 R C 1.201 177.261 176.300 -0.400 0.000 0.904 583 R CA 0.087 55.983 56.100 -0.340 0.000 1.052 583 R CB -0.328 29.752 30.300 -0.367 0.000 1.014 583 R HN 0.487 nan 8.270 nan 0.000 0.503 584 F N 1.167 120.924 119.950 -0.322 0.000 2.216 584 F HA -0.207 4.332 4.527 0.020 0.000 0.300 584 F C 2.564 178.312 175.800 -0.086 0.000 1.085 584 F CA 0.646 58.566 58.000 -0.134 0.000 1.326 584 F CB -0.136 38.875 39.000 0.019 0.000 1.027 584 F HN 0.036 nan 8.300 nan 0.000 0.497 585 M N 0.600 120.250 119.600 0.084 0.000 2.132 585 M HA -0.224 4.268 4.480 0.019 0.000 0.263 585 M C 2.228 178.554 176.300 0.044 0.000 1.065 585 M CA 1.721 57.059 55.300 0.064 0.000 1.122 585 M CB -0.265 32.351 32.600 0.026 0.000 1.365 585 M HN 0.073 nan 8.290 nan 0.000 0.411 586 E N -0.576 119.600 120.200 -0.039 0.000 2.110 586 E HA -0.217 4.144 4.350 0.019 0.000 0.193 586 E C 1.623 178.317 176.600 0.157 0.000 0.988 586 E CA 1.383 57.790 56.400 0.012 0.000 0.804 586 E CB -0.124 29.548 29.700 -0.047 0.000 0.745 586 E HN 0.615 nan 8.360 nan 0.000 0.458 587 Y N 0.895 121.270 120.300 0.125 0.000 2.333 587 Y HA -0.046 4.522 4.550 0.030 0.000 0.290 587 Y C 0.952 176.910 175.900 0.096 0.000 1.144 587 Y CA 0.740 58.908 58.100 0.114 0.000 1.228 587 Y CB -0.195 38.338 38.460 0.122 0.000 0.985 587 Y HN 0.076 nan 8.280 nan 0.000 0.542 588 E N 0.694 121.034 120.200 0.233 0.000 2.364 588 E HA 0.151 4.513 4.350 0.019 0.000 0.270 588 E C 0.222 176.897 176.600 0.126 0.000 1.398 588 E CA -0.128 56.368 56.400 0.160 0.000 1.721 588 E CB -0.029 29.759 29.700 0.147 0.000 1.525 588 E HN 0.280 nan 8.360 nan 0.000 0.446 589 T N -3.296 111.334 114.554 0.126 0.000 2.807 589 T HA 0.268 4.630 4.350 0.019 0.000 0.277 589 T C 0.174 174.932 174.700 0.096 0.000 1.006 589 T CA -0.860 61.298 62.100 0.097 0.000 1.006 589 T CB 1.213 70.132 68.868 0.085 0.000 1.274 589 T HN -0.009 nan 8.240 nan 0.000 0.569 590 D N -0.048 120.397 120.400 0.074 0.000 2.697 590 D HA -0.128 4.524 4.640 0.019 0.000 0.235 590 D C -0.617 175.766 176.300 0.138 0.000 1.167 590 D CA 0.472 54.521 54.000 0.082 0.000 0.656 590 D CB -1.506 39.362 40.800 0.113 0.000 1.025 590 D HN 0.589 nan 8.370 nan 0.000 0.419 591 L N -0.306 120.988 121.223 0.118 0.000 2.387 591 L HA 0.520 4.872 4.340 0.019 0.000 0.266 591 L C 1.077 178.081 176.870 0.222 0.000 1.059 591 L CA -0.716 54.215 54.840 0.150 0.000 0.801 591 L CB 1.606 43.740 42.059 0.124 0.000 1.223 591 L HN -0.074 nan 8.230 nan 0.000 0.456 592 T N 1.123 115.808 114.554 0.218 0.000 2.771 592 T HA 0.307 4.669 4.350 0.019 0.000 0.281 592 T C -0.564 174.264 174.700 0.214 0.000 0.982 592 T CA -0.256 61.996 62.100 0.254 0.000 0.978 592 T CB 0.689 69.674 68.868 0.195 0.000 0.930 592 T HN 0.237 nan 8.240 nan 0.000 0.447 593 F N 4.271 124.284 119.950 0.105 0.000 2.467 593 F HA 0.329 4.867 4.527 0.017 0.000 0.362 593 F C 0.775 176.618 175.800 0.072 0.000 1.090 593 F CA -0.005 58.041 58.000 0.076 0.000 1.202 593 F CB 0.526 39.568 39.000 0.070 0.000 1.113 593 F HN 0.348 nan 8.300 nan 0.000 0.541 594 V N 4.696 124.199 119.914 -0.685 0.000 2.721 594 V HA 0.487 4.619 4.120 0.019 0.000 0.236 594 V C 1.051 176.677 176.094 -0.781 0.000 1.116 594 V CA 0.741 62.752 62.300 -0.483 0.000 1.148 594 V CB -0.122 31.536 31.823 -0.275 0.000 0.886 594 V HN 0.985 nan 8.190 nan 0.000 0.490 595 G N -0.950 107.142 108.800 -1.181 0.000 2.488 595 G HA2 0.547 4.518 3.960 0.019 0.000 0.301 595 G HA3 0.547 4.518 3.960 0.019 0.000 0.301 595 G C -2.229 172.261 174.900 -0.684 0.000 1.339 595 G CA -0.190 44.431 45.100 -0.799 0.000 0.803 595 G HN 0.013 nan 8.290 nan 0.000 0.482 596 V N -0.164 119.371 119.914 -0.632 0.000 2.841 596 V HA 0.742 4.873 4.120 0.019 0.000 0.310 596 V C -0.161 175.808 176.094 -0.210 0.000 1.090 596 V CA -0.646 61.387 62.300 -0.446 0.000 0.930 596 V CB 1.804 33.221 31.823 -0.676 0.000 1.014 596 V HN 1.357 nan 8.190 nan 0.000 0.425 597 V N 0.714 120.605 119.914 -0.038 0.000 2.628 597 V HA 1.052 5.184 4.120 0.019 0.000 0.306 597 V C 0.151 176.328 176.094 0.138 0.000 1.045 597 V CA -0.439 61.891 62.300 0.051 0.000 0.905 597 V CB 1.690 33.502 31.823 -0.019 0.000 0.997 597 V HN 1.037 nan 8.190 nan 0.000 0.436 598 G N 3.922 112.791 108.800 0.115 0.000 2.544 598 G HA2 0.671 4.643 3.960 0.019 0.000 0.313 598 G HA3 0.671 4.643 3.960 0.019 0.000 0.313 598 G C -0.914 173.957 174.900 -0.049 0.000 1.316 598 G CA -0.867 44.278 45.100 0.075 0.000 0.944 598 G HN 0.717 nan 8.290 nan 0.000 0.489 599 M N 1.699 121.292 119.600 -0.012 0.000 2.436 599 M HA 0.428 4.919 4.480 0.019 0.000 0.331 599 M C -0.827 175.450 176.300 -0.038 0.000 1.135 599 M CA -0.872 54.411 55.300 -0.028 0.000 0.987 599 M CB 2.510 35.109 32.600 -0.001 0.000 1.687 599 M HN 0.387 nan 8.290 nan 0.000 0.445 600 L N 2.489 123.679 121.223 -0.055 0.000 2.307 600 L HA 0.470 4.822 4.340 0.019 0.000 0.282 600 L C -0.994 175.849 176.870 -0.045 0.000 1.051 600 L CA 0.379 55.184 54.840 -0.059 0.000 0.804 600 L CB 1.043 43.055 42.059 -0.079 0.000 1.197 600 L HN 0.651 nan 8.230 nan 0.000 0.431 601 D N 5.114 125.492 120.400 -0.037 0.000 2.527 601 D HA 0.347 4.998 4.640 0.019 0.000 0.242 601 D C -2.747 173.533 176.300 -0.033 0.000 1.285 601 D CA -1.211 52.772 54.000 -0.030 0.000 0.886 601 D CB 1.007 41.800 40.800 -0.011 0.000 1.402 601 D HN 0.170 nan 8.370 nan 0.000 0.528 602 P HA 0.225 nan 4.420 nan 0.000 0.265 602 P C -2.545 174.728 177.300 -0.045 0.000 1.193 602 P CA -1.002 62.072 63.100 -0.043 0.000 0.765 602 P CB 0.120 31.793 31.700 -0.046 0.000 0.823 603 P HA 0.086 nan 4.420 nan 0.000 0.268 603 P C 0.054 177.315 177.300 -0.064 0.000 1.205 603 P CA 0.129 63.188 63.100 -0.069 0.000 0.771 603 P CB 0.464 32.118 31.700 -0.077 0.000 0.858 604 R N 2.365 122.822 120.500 -0.073 0.000 2.697 604 R HA -0.043 4.309 4.340 0.019 0.000 0.265 604 R C 1.580 177.850 176.300 -0.050 0.000 1.009 604 R CA 0.296 56.364 56.100 -0.053 0.000 1.099 604 R CB 0.181 30.451 30.300 -0.049 0.000 0.965 604 R HN 0.503 nan 8.270 nan 0.000 0.428 605 K N 2.018 122.402 120.400 -0.025 0.000 2.032 605 K HA -0.190 4.142 4.320 0.019 0.000 0.209 605 K C 1.673 178.265 176.600 -0.013 0.000 1.048 605 K CA 1.804 58.080 56.287 -0.018 0.000 0.927 605 K CB 0.069 32.565 32.500 -0.006 0.000 0.712 605 K HN 0.642 nan 8.250 nan 0.000 0.441 606 E N 0.992 121.196 120.200 0.006 0.000 2.481 606 E HA -0.056 4.305 4.350 0.019 0.000 0.195 606 E C 1.801 178.427 176.600 0.043 0.000 1.047 606 E CA 0.425 56.847 56.400 0.037 0.000 0.867 606 E CB -0.158 29.586 29.700 0.074 0.000 0.858 606 E HN 0.018 nan 8.360 nan 0.000 0.513 607 V N 1.958 121.849 119.914 -0.039 0.000 2.244 607 V HA -0.271 3.860 4.120 0.019 0.000 0.244 607 V C 2.729 178.780 176.094 -0.073 0.000 1.042 607 V CA 2.198 64.412 62.300 -0.144 0.000 1.006 607 V CB -0.629 30.999 31.823 -0.325 0.000 0.641 607 V HN 0.268 nan 8.190 nan 0.000 0.446 608 M N 0.382 119.942 119.600 -0.066 0.000 2.089 608 M HA -0.185 4.307 4.480 0.019 0.000 0.257 608 M C 1.990 178.285 176.300 -0.008 0.000 1.071 608 M CA 2.572 57.847 55.300 -0.043 0.000 1.096 608 M CB -0.749 31.831 32.600 -0.035 0.000 1.330 608 M HN 0.403 nan 8.290 nan 0.000 0.403 609 G N -0.759 108.046 108.800 0.008 0.000 2.511 609 G HA2 -0.241 3.731 3.960 0.019 0.000 0.216 609 G HA3 -0.241 3.731 3.960 0.019 0.000 0.216 609 G C 1.370 176.299 174.900 0.049 0.000 1.218 609 G CA 1.152 46.267 45.100 0.025 0.000 0.788 609 G HN 0.554 nan 8.290 nan 0.000 0.560 610 S N 0.540 116.297 115.700 0.094 0.000 2.392 610 S HA -0.132 4.350 4.470 0.019 0.000 0.232 610 S C 2.255 176.935 174.600 0.133 0.000 1.041 610 S CA 1.201 59.492 58.200 0.152 0.000 1.026 610 S CB -0.249 63.169 63.200 0.363 0.000 0.845 610 S HN 0.372 nan 8.310 nan 0.000 0.465 611 I N 1.067 121.699 120.570 0.104 0.000 2.202 611 I HA -0.152 4.030 4.170 0.019 0.000 0.242 611 I C 2.772 178.910 176.117 0.034 0.000 1.091 611 I CA 1.036 62.376 61.300 0.066 0.000 1.368 611 I CB -0.614 37.391 38.000 0.009 0.000 1.058 611 I HN 0.290 nan 8.210 nan 0.000 0.410 612 Q N 0.651 120.465 119.800 0.022 0.000 2.077 612 Q HA -0.218 4.133 4.340 0.019 0.000 0.206 612 Q C 2.295 178.304 176.000 0.015 0.000 0.989 612 Q CA 1.685 57.497 55.803 0.014 0.000 0.853 612 Q CB -0.469 28.275 28.738 0.010 0.000 0.907 612 Q HN 0.360 nan 8.270 nan 0.000 0.418 613 L N -0.261 120.974 121.223 0.021 0.000 2.079 613 L HA -0.202 4.149 4.340 0.019 0.000 0.210 613 L C 2.590 179.466 176.870 0.011 0.000 1.081 613 L CA 1.313 56.162 54.840 0.015 0.000 0.752 613 L CB -1.201 40.868 42.059 0.017 0.000 0.896 613 L HN 0.252 nan 8.230 nan 0.000 0.433 614 C N -1.099 118.213 119.300 0.021 0.000 2.429 614 C HA -0.151 4.321 4.460 0.019 0.000 0.277 614 C C 2.866 177.861 174.990 0.007 0.000 1.262 614 C CA 0.423 59.450 59.018 0.015 0.000 1.733 614 C CB -0.803 26.956 27.740 0.032 0.000 2.010 614 C HN 0.470 nan 8.230 nan 0.000 0.483 615 R N 0.891 121.396 120.500 0.008 0.000 2.080 615 R HA -0.143 4.209 4.340 0.019 0.000 0.236 615 R C 1.789 178.089 176.300 -0.001 0.000 1.137 615 R CA 1.908 58.010 56.100 0.003 0.000 0.943 615 R CB -0.544 29.758 30.300 0.004 0.000 0.846 615 R HN 0.546 nan 8.270 nan 0.000 0.431 616 D N 0.513 120.913 120.400 -0.001 0.000 2.123 616 D HA -0.149 4.502 4.640 0.019 0.000 0.196 616 D C 1.419 177.714 176.300 -0.009 0.000 0.992 616 D CA 1.566 55.563 54.000 -0.005 0.000 0.833 616 D CB -0.208 40.590 40.800 -0.003 0.000 0.954 616 D HN 0.274 nan 8.370 nan 0.000 0.455 617 A N -0.265 122.549 122.820 -0.009 0.000 2.252 617 A HA 0.388 4.720 4.320 0.019 0.000 0.207 617 A C 1.694 179.268 177.584 -0.016 0.000 1.194 617 A CA 0.946 52.974 52.037 -0.014 0.000 0.809 617 A CB -0.545 18.446 19.000 -0.015 0.000 0.814 617 A HN 0.255 nan 8.150 nan 0.000 0.482 618 G N -0.699 108.093 108.800 -0.013 0.000 2.179 618 G HA2 -0.255 3.716 3.960 0.019 0.000 0.257 618 G HA3 -0.255 3.716 3.960 0.019 0.000 0.257 618 G C 0.043 174.935 174.900 -0.012 0.000 1.010 618 G CA 0.592 45.684 45.100 -0.014 0.000 0.736 618 G HN 0.543 nan 8.290 nan 0.000 0.513 619 I N -0.041 120.524 120.570 -0.008 0.000 2.336 619 I HA 0.407 4.588 4.170 0.019 0.000 0.292 619 I C 0.903 177.023 176.117 0.004 0.000 0.991 619 I CA -0.889 60.407 61.300 -0.005 0.000 1.227 619 I CB 1.370 39.365 38.000 -0.008 0.000 1.366 619 I HN 0.020 nan 8.210 nan 0.000 0.466 620 R N 4.287 124.791 120.500 0.007 0.000 2.410 620 R HA 0.585 4.937 4.340 0.019 0.000 0.288 620 R C -1.130 175.185 176.300 0.025 0.000 1.051 620 R CA -0.403 55.705 56.100 0.014 0.000 1.021 620 R CB 1.330 31.639 30.300 0.015 0.000 1.032 620 R HN 0.401 nan 8.270 nan 0.000 0.481 621 V N 5.870 125.796 119.914 0.021 0.000 2.448 621 V HA 0.437 4.569 4.120 0.019 0.000 0.295 621 V C -0.191 175.908 176.094 0.009 0.000 1.025 621 V CA -0.634 61.685 62.300 0.032 0.000 0.859 621 V CB 1.710 33.558 31.823 0.041 0.000 0.988 621 V HN 0.637 nan 8.190 nan 0.000 0.431 622 I N 4.957 125.553 120.570 0.043 0.000 2.418 622 I HA 0.449 4.630 4.170 0.019 0.000 0.287 622 I C -0.129 176.026 176.117 0.064 0.000 1.008 622 I CA -0.403 60.936 61.300 0.066 0.000 1.104 622 I CB 1.881 39.970 38.000 0.148 0.000 1.264 622 I HN 0.591 nan 8.210 nan 0.000 0.438 623 M N 7.547 127.163 119.600 0.026 0.000 2.185 623 M HA 0.519 5.011 4.480 0.019 0.000 0.357 623 M C -1.363 175.004 176.300 0.111 0.000 1.260 623 M CA 0.245 55.562 55.300 0.029 0.000 1.124 623 M CB 0.610 33.187 32.600 -0.038 0.000 1.600 623 M HN 0.495 nan 8.290 nan 0.000 0.467 624 I N 4.081 124.708 120.570 0.095 0.000 2.478 624 I HA 0.422 4.604 4.170 0.019 0.000 0.287 624 I C -0.579 175.589 176.117 0.085 0.000 1.042 624 I CA -0.464 60.904 61.300 0.114 0.000 1.067 624 I CB 2.275 40.318 38.000 0.071 0.000 1.233 624 I HN 0.662 nan 8.210 nan 0.000 0.431 625 T N 2.466 117.077 114.554 0.095 0.000 2.889 625 T HA 0.430 4.792 4.350 0.019 0.000 0.315 625 T C 0.778 175.536 174.700 0.096 0.000 1.291 625 T CA -0.089 62.062 62.100 0.084 0.000 1.028 625 T CB 1.754 70.663 68.868 0.068 0.000 1.235 625 T HN 0.727 nan 8.240 nan 0.000 0.491 626 G N 1.564 110.426 108.800 0.103 0.000 2.572 626 G HA2 0.082 4.053 3.960 0.019 0.000 0.216 626 G HA3 0.082 4.053 3.960 0.019 0.000 0.216 626 G C 0.511 175.479 174.900 0.113 0.000 1.133 626 G CA 0.163 45.336 45.100 0.122 0.000 0.791 626 G HN 0.695 nan 8.290 nan 0.000 0.538 627 D N 0.223 120.680 120.400 0.095 0.000 2.377 627 D HA 0.016 4.667 4.640 0.019 0.000 0.245 627 D C 0.479 176.828 176.300 0.081 0.000 1.196 627 D CA -0.682 53.370 54.000 0.086 0.000 0.962 627 D CB 0.336 41.178 40.800 0.069 0.000 1.127 627 D HN 0.038 nan 8.370 nan 0.000 0.471 628 N N 1.378 120.125 118.700 0.078 0.000 2.345 628 N HA -0.135 4.617 4.740 0.019 0.000 0.243 628 N C 0.747 176.293 175.510 0.060 0.000 1.246 628 N CA 0.304 53.397 53.050 0.071 0.000 0.863 628 N CB 0.633 39.163 38.487 0.073 0.000 1.096 628 N HN 0.371 nan 8.380 nan 0.000 0.446 629 K N 2.571 123.001 120.400 0.049 0.000 2.103 629 K HA -0.052 4.280 4.320 0.019 0.000 0.204 629 K C 1.826 178.445 176.600 0.031 0.000 1.052 629 K CA 1.260 57.568 56.287 0.035 0.000 0.945 629 K CB -0.479 32.031 32.500 0.016 0.000 0.722 629 K HN 0.730 nan 8.250 nan 0.000 0.443 630 G N 0.244 109.062 108.800 0.031 0.000 2.491 630 G HA2 -0.354 3.618 3.960 0.019 0.000 0.218 630 G HA3 -0.354 3.618 3.960 0.019 0.000 0.218 630 G C 1.561 176.488 174.900 0.046 0.000 1.180 630 G CA 1.801 46.921 45.100 0.033 0.000 0.774 630 G HN 0.531 nan 8.290 nan 0.000 0.562 631 T N -1.170 113.417 114.554 0.056 0.000 2.985 631 T HA 0.338 4.699 4.350 0.019 0.000 0.266 631 T C 2.518 177.246 174.700 0.047 0.000 1.076 631 T CA 1.607 63.741 62.100 0.057 0.000 1.135 631 T CB -0.216 68.691 68.868 0.065 0.000 0.890 631 T HN 0.364 nan 8.240 nan 0.000 0.480 632 A N 1.435 124.283 122.820 0.048 0.000 1.898 632 A HA 0.198 4.530 4.320 0.019 0.000 0.216 632 A C 2.369 179.988 177.584 0.058 0.000 1.181 632 A CA 1.200 53.262 52.037 0.043 0.000 0.620 632 A CB -0.773 18.256 19.000 0.048 0.000 0.819 632 A HN 0.582 nan 8.150 nan 0.000 0.442 633 I N -0.305 120.315 120.570 0.084 0.000 2.252 633 I HA -0.263 3.919 4.170 0.019 0.000 0.245 633 I C 2.945 179.138 176.117 0.126 0.000 1.102 633 I CA 0.970 62.360 61.300 0.150 0.000 1.385 633 I CB -0.249 37.804 38.000 0.090 0.000 1.064 633 I HN 0.368 nan 8.210 nan 0.000 0.414 634 A N 0.955 123.818 122.820 0.071 0.000 1.902 634 A HA -0.162 4.170 4.320 0.019 0.000 0.217 634 A C 2.273 179.881 177.584 0.040 0.000 1.181 634 A CA 1.421 53.491 52.037 0.054 0.000 0.623 634 A CB -0.726 18.300 19.000 0.043 0.000 0.818 634 A HN 0.365 nan 8.150 nan 0.000 0.443 635 I N -0.745 119.840 120.570 0.025 0.000 2.202 635 I HA -0.309 3.872 4.170 0.019 0.000 0.242 635 I C 2.506 178.605 176.117 -0.030 0.000 1.091 635 I CA 1.047 62.343 61.300 -0.007 0.000 1.368 635 I CB -0.562 37.427 38.000 -0.019 0.000 1.058 635 I HN 0.365 nan 8.210 nan 0.000 0.410 636 C N 0.766 120.043 119.300 -0.038 0.000 2.396 636 C HA -0.208 4.263 4.460 0.019 0.000 0.277 636 C C 2.949 177.903 174.990 -0.060 0.000 1.231 636 C CA 1.125 60.066 59.018 -0.127 0.000 1.775 636 C CB -1.353 26.227 27.740 -0.265 0.000 2.036 636 C HN 0.419 nan 8.230 nan 0.000 0.484 637 R N 0.163 120.698 120.500 0.058 0.000 2.064 637 R HA -0.070 4.282 4.340 0.019 0.000 0.228 637 R C 2.450 178.760 176.300 0.017 0.000 1.144 637 R CA 1.220 57.365 56.100 0.076 0.000 0.932 637 R CB -0.420 29.934 30.300 0.090 0.000 0.833 637 R HN 0.516 nan 8.270 nan 0.000 0.429 638 R N 0.415 120.918 120.500 0.005 0.000 2.204 638 R HA -0.160 4.191 4.340 0.019 0.000 0.253 638 R C 2.008 178.287 176.300 -0.034 0.000 1.172 638 R CA 1.323 57.415 56.100 -0.014 0.000 0.994 638 R CB -0.339 29.951 30.300 -0.018 0.000 0.874 638 R HN 0.336 nan 8.270 nan 0.000 0.462 639 I N -1.407 119.130 120.570 -0.054 0.000 3.427 639 I HA 0.073 4.255 4.170 0.019 0.000 0.288 639 I C 1.330 177.406 176.117 -0.070 0.000 1.249 639 I CA 0.595 61.847 61.300 -0.081 0.000 1.421 639 I CB 0.439 38.364 38.000 -0.124 0.000 1.086 639 I HN 0.404 nan 8.210 nan 0.000 0.448 640 G N 0.973 109.742 108.800 -0.053 0.000 2.175 640 G HA2 -0.245 3.726 3.960 0.019 0.000 0.244 640 G HA3 -0.245 3.726 3.960 0.019 0.000 0.244 640 G C 0.877 175.733 174.900 -0.073 0.000 0.982 640 G CA 0.161 45.237 45.100 -0.039 0.000 0.641 640 G HN 0.315 nan 8.290 nan 0.000 0.527 641 I N -0.612 119.860 120.570 -0.165 0.000 2.315 641 I HA 0.127 4.308 4.170 0.019 0.000 0.248 641 I C 1.176 177.090 176.117 -0.339 0.000 1.117 641 I CA 1.249 62.358 61.300 -0.320 0.000 1.404 641 I CB -0.142 37.551 38.000 -0.512 0.000 1.071 641 I HN 0.206 nan 8.210 nan 0.000 0.419 642 F N -0.323 119.611 119.950 -0.026 0.000 2.561 642 F HA 0.528 5.066 4.527 0.018 0.000 0.321 642 F C 0.895 176.680 175.800 -0.025 0.000 1.065 642 F CA -1.162 56.821 58.000 -0.029 0.000 0.934 642 F CB 1.395 40.372 39.000 -0.038 0.000 1.215 642 F HN -0.205 nan 8.300 nan 0.000 0.471 643 G N 0.585 109.500 108.800 0.192 0.000 2.569 643 G HA2 0.140 4.111 3.960 0.019 0.000 0.249 643 G HA3 0.140 4.111 3.960 0.019 0.000 0.249 643 G C 0.399 175.344 174.900 0.075 0.000 1.216 643 G CA -0.378 44.777 45.100 0.092 0.000 0.845 643 G HN 0.859 nan 8.290 nan 0.000 0.568 644 E N 0.251 120.476 120.200 0.043 0.000 2.331 644 E HA -0.107 4.254 4.350 0.019 0.000 0.199 644 E C 0.338 176.943 176.600 0.009 0.000 1.008 644 E CA 0.797 57.213 56.400 0.027 0.000 0.843 644 E CB 0.111 29.820 29.700 0.016 0.000 0.761 644 E HN 0.442 nan 8.360 nan 0.000 0.507 645 N N 1.059 119.758 118.700 -0.001 0.000 2.588 645 N HA 0.091 4.842 4.740 0.019 0.000 0.298 645 N C -1.088 174.397 175.510 -0.041 0.000 1.718 645 N CA 0.048 53.084 53.050 -0.022 0.000 0.888 645 N CB 0.856 39.332 38.487 -0.018 0.000 1.389 645 N HN 0.106 nan 8.380 nan 0.000 0.491 646 E N 1.028 121.192 120.200 -0.059 0.000 2.249 646 E HA 0.164 4.526 4.350 0.019 0.000 0.280 646 E C -0.364 176.138 176.600 -0.163 0.000 1.016 646 E CA -0.352 55.989 56.400 -0.099 0.000 0.830 646 E CB 1.702 31.337 29.700 -0.109 0.000 1.081 646 E HN 0.113 nan 8.360 nan 0.000 0.395 647 E N 1.423 121.537 120.200 -0.143 0.000 2.480 647 E HA -0.032 4.329 4.350 0.019 0.000 0.258 647 E C 0.000 176.442 176.600 -0.264 0.000 0.984 647 E CA 0.060 56.358 56.400 -0.170 0.000 0.930 647 E CB 0.647 30.273 29.700 -0.122 0.000 0.936 647 E HN 0.235 nan 8.360 nan 0.000 0.466 648 V N 3.772 123.484 119.914 -0.338 0.000 3.380 648 V HA 0.054 4.185 4.120 0.019 0.000 0.307 648 V C 1.494 177.361 176.094 -0.379 0.000 1.434 648 V CA 0.742 62.741 62.300 -0.501 0.000 1.075 648 V CB 0.312 31.660 31.823 -0.791 0.000 0.954 648 V HN 0.823 nan 8.190 nan 0.000 0.444 649 A N 1.794 124.450 122.820 -0.274 0.000 1.940 649 A HA -0.283 4.049 4.320 0.019 0.000 0.221 649 A C 1.771 179.160 177.584 -0.325 0.000 1.190 649 A CA 2.536 54.423 52.037 -0.251 0.000 0.647 649 A CB -0.288 18.613 19.000 -0.164 0.000 0.821 649 A HN 0.719 nan 8.150 nan 0.000 0.457 650 D N -1.794 118.450 120.400 -0.260 0.000 2.501 650 D HA 0.054 4.706 4.640 0.019 0.000 0.224 650 D C 0.835 177.060 176.300 -0.126 0.000 1.202 650 D CA 0.155 54.036 54.000 -0.199 0.000 0.829 650 D CB -0.334 40.456 40.800 -0.018 0.000 1.023 650 D HN 0.704 nan 8.370 nan 0.000 0.499 651 R N -0.577 119.774 120.500 -0.249 0.000 2.629 651 R HA 0.651 5.003 4.340 0.019 0.000 0.408 651 R C -0.378 175.832 176.300 -0.149 0.000 1.057 651 R CA -0.546 55.498 56.100 -0.094 0.000 1.119 651 R CB 0.650 30.931 30.300 -0.032 0.000 1.403 651 R HN 0.026 nan 8.270 nan 0.000 0.576 652 A N 0.772 123.340 122.820 -0.420 0.000 2.486 652 A HA 0.738 5.070 4.320 0.019 0.000 0.300 652 A C -1.857 175.360 177.584 -0.611 0.000 1.048 652 A CA -0.661 51.159 52.037 -0.363 0.000 0.696 652 A CB 1.265 20.127 19.000 -0.229 0.000 1.278 652 A HN 0.258 nan 8.150 nan 0.000 0.405 653 Y N -0.036 120.103 120.300 -0.269 0.000 2.519 653 Y HA 0.501 5.061 4.550 0.016 0.000 0.336 653 Y C 0.798 176.693 175.900 -0.008 0.000 1.089 653 Y CA -0.185 57.859 58.100 -0.094 0.000 1.025 653 Y CB 2.320 40.783 38.460 0.004 0.000 1.318 653 Y HN 0.872 nan 8.280 nan 0.000 0.452 654 T N -1.888 112.783 114.554 0.195 0.000 2.828 654 T HA 0.327 4.689 4.350 0.019 0.000 0.290 654 T C 1.386 176.179 174.700 0.154 0.000 1.019 654 T CA -0.046 62.139 62.100 0.142 0.000 1.031 654 T CB 1.329 70.261 68.868 0.107 0.000 1.001 654 T HN 0.875 nan 8.240 nan 0.000 0.531 655 G N 0.326 109.137 108.800 0.019 0.000 2.505 655 G HA2 -0.283 3.689 3.960 0.019 0.000 0.220 655 G HA3 -0.283 3.689 3.960 0.019 0.000 0.220 655 G C 1.560 176.485 174.900 0.041 0.000 1.145 655 G CA 0.909 45.890 45.100 -0.199 0.000 0.761 655 G HN 0.840 nan 8.290 nan 0.000 0.571 656 R N 0.585 121.149 120.500 0.107 0.000 2.066 656 R HA -0.052 4.300 4.340 0.019 0.000 0.232 656 R C 2.531 178.921 176.300 0.149 0.000 1.131 656 R CA 1.695 57.872 56.100 0.129 0.000 0.955 656 R CB -0.324 30.038 30.300 0.104 0.000 0.851 656 R HN 0.484 nan 8.270 nan 0.000 0.432 657 E N -0.386 119.924 120.200 0.184 0.000 2.110 657 E HA -0.218 4.144 4.350 0.019 0.000 0.193 657 E C 1.726 178.473 176.600 0.246 0.000 0.988 657 E CA 1.476 58.014 56.400 0.230 0.000 0.804 657 E CB -0.242 29.649 29.700 0.319 0.000 0.745 657 E HN 0.343 nan 8.360 nan 0.000 0.458 658 F N 1.930 121.938 119.950 0.095 0.000 2.146 658 F HA -0.191 4.344 4.527 0.013 0.000 0.298 658 F C 1.698 177.511 175.800 0.021 0.000 1.096 658 F CA 1.329 59.327 58.000 -0.004 0.000 1.275 658 F CB 0.174 39.194 39.000 0.034 0.000 1.008 658 F HN -0.107 nan 8.300 nan 0.000 0.480 659 D N 0.303 120.783 120.400 0.133 0.000 2.219 659 D HA -0.157 4.494 4.640 0.019 0.000 0.205 659 D C 1.683 177.979 176.300 -0.006 0.000 0.970 659 D CA 1.153 55.193 54.000 0.067 0.000 0.851 659 D CB -0.449 40.464 40.800 0.187 0.000 0.943 659 D HN 0.356 nan 8.370 nan 0.000 0.488 660 D N 0.153 120.563 120.400 0.016 0.000 2.219 660 D HA -0.030 4.622 4.640 0.019 0.000 0.205 660 D C 0.850 177.127 176.300 -0.039 0.000 0.970 660 D CA 0.243 54.247 54.000 0.007 0.000 0.851 660 D CB 0.123 40.947 40.800 0.040 0.000 0.943 660 D HN 0.244 nan 8.370 nan 0.000 0.488 661 L N 1.753 122.913 121.223 -0.105 0.000 2.439 661 L HA 0.184 4.535 4.340 0.019 0.000 0.269 661 L C -1.972 174.799 176.870 -0.165 0.000 1.179 661 L CA -1.729 53.019 54.840 -0.154 0.000 0.828 661 L CB 0.254 42.151 42.059 -0.269 0.000 1.106 661 L HN -0.190 nan 8.230 nan 0.000 0.467 662 P HA 0.015 nan 4.420 nan 0.000 0.269 662 P C 0.617 177.830 177.300 -0.146 0.000 1.209 662 P CA -0.516 62.522 63.100 -0.104 0.000 0.776 662 P CB 0.574 32.231 31.700 -0.071 0.000 0.876 663 L N 2.582 123.746 121.223 -0.099 0.000 2.034 663 L HA -0.295 4.057 4.340 0.019 0.000 0.217 663 L C 2.513 179.305 176.870 -0.130 0.000 1.077 663 L CA 2.664 57.460 54.840 -0.072 0.000 0.769 663 L CB -2.213 39.854 42.059 0.014 0.000 0.890 663 L HN 0.493 nan 8.230 nan 0.000 0.435 664 A N -1.356 121.407 122.820 -0.095 0.000 1.948 664 A HA -0.244 4.087 4.320 0.019 0.000 0.220 664 A C 2.288 179.792 177.584 -0.134 0.000 1.177 664 A CA 1.948 53.928 52.037 -0.094 0.000 0.636 664 A CB -0.476 18.491 19.000 -0.055 0.000 0.815 664 A HN 0.408 nan 8.150 nan 0.000 0.449 665 E N -0.511 119.597 120.200 -0.153 0.000 2.216 665 E HA -0.053 4.309 4.350 0.019 0.000 0.192 665 E C 2.210 178.651 176.600 -0.264 0.000 0.988 665 E CA 0.872 57.177 56.400 -0.158 0.000 0.834 665 E CB -0.199 29.422 29.700 -0.132 0.000 0.772 665 E HN 0.741 nan 8.360 nan 0.000 0.479 666 Q N -0.195 119.350 119.800 -0.426 0.000 2.020 666 Q HA -0.151 4.201 4.340 0.019 0.000 0.202 666 Q C 2.262 177.870 176.000 -0.653 0.000 0.982 666 Q CA 1.507 56.903 55.803 -0.677 0.000 0.838 666 Q CB -0.146 28.050 28.738 -0.903 0.000 0.899 666 Q HN 0.111 nan 8.270 nan 0.000 0.423 667 R N 0.741 120.671 120.500 -0.950 0.000 2.080 667 R HA -0.233 4.119 4.340 0.019 0.000 0.236 667 R C 2.018 178.255 176.300 -0.104 0.000 1.137 667 R CA 1.807 57.443 56.100 -0.772 0.000 0.943 667 R CB -0.066 29.986 30.300 -0.414 0.000 0.846 667 R HN 0.087 nan 8.270 nan 0.000 0.431 668 E N 0.175 120.346 120.200 -0.048 0.000 2.110 668 E HA -0.118 4.244 4.350 0.019 0.000 0.193 668 E C 1.711 178.344 176.600 0.055 0.000 0.988 668 E CA 1.587 58.024 56.400 0.062 0.000 0.804 668 E CB -0.236 29.485 29.700 0.034 0.000 0.745 668 E HN 0.486 nan 8.360 nan 0.000 0.458 669 A N -0.305 122.531 122.820 0.028 0.000 1.978 669 A HA -0.222 4.110 4.320 0.019 0.000 0.220 669 A C 2.459 180.226 177.584 0.303 0.000 1.170 669 A CA 1.530 53.640 52.037 0.122 0.000 0.636 669 A CB -0.955 18.027 19.000 -0.030 0.000 0.810 669 A HN 0.477 nan 8.150 nan 0.000 0.448 670 C N -1.175 118.291 119.300 0.277 0.000 2.432 670 C HA -0.014 4.458 4.460 0.019 0.000 0.282 670 C C 2.741 177.848 174.990 0.196 0.000 1.388 670 C CA 0.874 60.071 59.018 0.297 0.000 1.777 670 C CB -1.327 26.542 27.740 0.214 0.000 1.882 670 C HN 0.566 nan 8.230 nan 0.000 0.520 671 R N 0.595 121.144 120.500 0.080 0.000 2.161 671 R HA -0.019 4.333 4.340 0.019 0.000 0.213 671 R C 2.351 178.657 176.300 0.009 0.000 1.055 671 R CA 0.860 56.921 56.100 -0.066 0.000 0.996 671 R CB -0.047 30.080 30.300 -0.288 0.000 0.901 671 R HN 0.679 nan 8.270 nan 0.000 0.456 672 R N -0.559 119.990 120.500 0.081 0.000 2.195 672 R HA 0.310 4.662 4.340 0.019 0.000 0.197 672 R C 0.533 176.917 176.300 0.139 0.000 0.990 672 R CA 0.324 56.479 56.100 0.091 0.000 1.048 672 R CB 0.226 30.575 30.300 0.081 0.000 0.997 672 R HN -0.100 nan 8.270 nan 0.000 0.502 673 A N 0.493 123.431 122.820 0.196 0.000 2.354 673 A HA 0.387 4.719 4.320 0.019 0.000 0.269 673 A C 0.219 177.893 177.584 0.150 0.000 1.109 673 A CA -0.652 51.469 52.037 0.140 0.000 0.800 673 A CB 0.941 19.961 19.000 0.034 0.000 1.045 673 A HN 0.485 nan 8.150 nan 0.000 0.489 674 C N 0.475 119.849 119.300 0.123 0.000 3.336 674 C HA 0.382 4.853 4.460 0.019 0.000 0.291 674 C C 0.389 175.349 174.990 -0.050 0.000 1.363 674 C CA -0.274 58.768 59.018 0.041 0.000 1.737 674 C CB -1.284 26.399 27.740 -0.095 0.000 2.274 674 C HN 0.823 nan 8.230 nan 0.000 0.663 675 C N 1.495 120.749 119.300 -0.077 0.000 2.522 675 C HA 0.705 5.177 4.460 0.019 0.000 0.344 675 C C -1.378 173.426 174.990 -0.309 0.000 1.104 675 C CA -0.552 58.424 59.018 -0.069 0.000 1.317 675 C CB -0.783 27.021 27.740 0.107 0.000 1.896 675 C HN 0.430 nan 8.230 nan 0.000 0.443 676 F N 4.589 124.566 119.950 0.045 0.000 2.493 676 F HA 0.761 5.297 4.527 0.015 0.000 0.329 676 F C 0.495 176.293 175.800 -0.003 0.000 1.126 676 F CA -0.043 57.959 58.000 0.004 0.000 0.937 676 F CB 1.880 40.820 39.000 -0.099 0.000 1.146 676 F HN 0.822 nan 8.300 nan 0.000 0.442 677 A N 2.199 125.111 122.820 0.153 0.000 2.532 677 A HA 0.804 5.136 4.320 0.019 0.000 0.290 677 A C -0.092 177.546 177.584 0.090 0.000 1.143 677 A CA -0.975 51.123 52.037 0.102 0.000 0.728 677 A CB 1.246 20.289 19.000 0.071 0.000 1.317 677 A HN 0.679 nan 8.150 nan 0.000 0.414 678 R N -1.379 119.175 120.500 0.090 0.000 3.301 678 R HA -0.160 4.192 4.340 0.019 0.000 0.249 678 R C -0.395 175.958 176.300 0.090 0.000 0.964 678 R CA 1.016 57.172 56.100 0.094 0.000 0.653 678 R CB -2.439 27.912 30.300 0.087 0.000 1.043 678 R HN 1.357 nan 8.270 nan 0.000 0.454 679 V N -0.408 119.565 119.914 0.098 0.000 2.555 679 V HA 0.365 4.496 4.120 0.019 0.000 0.302 679 V C 0.656 176.887 176.094 0.228 0.000 1.038 679 V CA -0.773 61.593 62.300 0.109 0.000 0.887 679 V CB 2.139 33.969 31.823 0.012 0.000 0.991 679 V HN 0.355 nan 8.190 nan 0.000 0.434 680 E N 5.995 126.442 120.200 0.411 0.000 2.397 680 E HA 0.273 4.635 4.350 0.019 0.000 0.254 680 E C -1.764 174.901 176.600 0.107 0.000 1.231 680 E CA -1.252 55.261 56.400 0.187 0.000 0.954 680 E CB 0.731 30.480 29.700 0.082 0.000 1.024 680 E HN 0.580 nan 8.360 nan 0.000 0.481 681 P HA -0.228 nan 4.420 nan 0.000 0.216 681 P C 1.214 178.505 177.300 -0.015 0.000 1.150 681 P CA 1.635 64.745 63.100 0.017 0.000 0.843 681 P CB 0.072 31.775 31.700 0.004 0.000 0.787 682 S N -2.001 113.656 115.700 -0.071 0.000 2.406 682 S HA -0.191 4.290 4.470 0.019 0.000 0.228 682 S C 1.780 176.321 174.600 -0.098 0.000 1.020 682 S CA 1.002 59.133 58.200 -0.115 0.000 0.965 682 S CB -1.658 61.435 63.200 -0.178 0.000 0.798 682 S HN 0.281 nan 8.310 nan 0.000 0.488 683 H N 1.599 120.663 119.070 -0.010 0.000 2.389 683 H HA 0.109 4.670 4.556 0.009 0.000 0.299 683 H C 2.275 177.533 175.328 -0.117 0.000 1.081 683 H CA 1.554 57.580 56.048 -0.037 0.000 1.345 683 H CB -0.001 29.741 29.762 -0.034 0.000 1.393 683 H HN 0.394 nan 8.280 nan 0.000 0.520 684 K N 0.027 120.448 120.400 0.035 0.000 2.032 684 K HA -0.159 4.173 4.320 0.019 0.000 0.209 684 K C 2.522 179.090 176.600 -0.054 0.000 1.048 684 K CA 1.328 57.597 56.287 -0.031 0.000 0.927 684 K CB -0.214 32.287 32.500 0.002 0.000 0.712 684 K HN 0.079 nan 8.250 nan 0.000 0.441 685 S N 1.089 116.764 115.700 -0.041 0.000 2.359 685 S HA -0.188 4.293 4.470 0.019 0.000 0.224 685 S C 1.994 176.542 174.600 -0.087 0.000 1.035 685 S CA 1.440 59.605 58.200 -0.057 0.000 1.018 685 S CB -0.046 63.120 63.200 -0.057 0.000 0.876 685 S HN 0.204 nan 8.310 nan 0.000 0.448 686 K N 0.172 120.519 120.400 -0.087 0.000 2.097 686 K HA -0.018 4.313 4.320 0.019 0.000 0.205 686 K C 2.071 178.581 176.600 -0.149 0.000 1.050 686 K CA 1.420 57.616 56.287 -0.153 0.000 0.938 686 K CB -0.294 32.184 32.500 -0.037 0.000 0.718 686 K HN 0.449 nan 8.250 nan 0.000 0.442 687 I N 0.501 121.017 120.570 -0.091 0.000 2.179 687 I HA -0.293 3.889 4.170 0.019 0.000 0.242 687 I C 2.214 178.321 176.117 -0.018 0.000 1.088 687 I CA 0.948 62.190 61.300 -0.098 0.000 1.357 687 I CB -0.207 37.523 38.000 -0.449 0.000 1.051 687 I HN -0.059 nan 8.210 nan 0.000 0.409 688 V N 0.642 120.523 119.914 -0.054 0.000 2.332 688 V HA -0.333 3.799 4.120 0.019 0.000 0.248 688 V C 2.472 178.562 176.094 -0.006 0.000 1.055 688 V CA 2.250 64.539 62.300 -0.017 0.000 1.038 688 V CB -0.643 31.163 31.823 -0.028 0.000 0.651 688 V HN 0.494 nan 8.190 nan 0.000 0.450 689 E N -1.064 119.097 120.200 -0.066 0.000 2.106 689 E HA -0.225 4.137 4.350 0.019 0.000 0.192 689 E C 2.180 178.757 176.600 -0.039 0.000 0.984 689 E CA 1.374 57.716 56.400 -0.097 0.000 0.806 689 E CB -0.156 29.421 29.700 -0.205 0.000 0.750 689 E HN 0.669 nan 8.360 nan 0.000 0.458 690 Y N 0.262 120.587 120.300 0.042 0.000 2.114 690 Y HA -0.222 4.337 4.550 0.016 0.000 0.284 690 Y C 2.156 178.150 175.900 0.157 0.000 1.143 690 Y CA 0.810 58.961 58.100 0.085 0.000 1.135 690 Y CB -0.657 37.883 38.460 0.134 0.000 0.980 690 Y HN 0.126 nan 8.280 nan 0.000 0.499 691 L N 0.246 121.664 121.223 0.324 0.000 2.021 691 L HA -0.312 4.039 4.340 0.019 0.000 0.215 691 L C 2.258 179.272 176.870 0.240 0.000 1.074 691 L CA 1.829 56.836 54.840 0.279 0.000 0.760 691 L CB -1.600 40.547 42.059 0.147 0.000 0.889 691 L HN 0.360 nan 8.230 nan 0.000 0.433 692 Q N -1.092 118.788 119.800 0.135 0.000 2.226 692 Q HA -0.171 4.181 4.340 0.019 0.000 0.204 692 Q C 2.200 178.240 176.000 0.067 0.000 0.975 692 Q CA 1.580 57.431 55.803 0.080 0.000 0.866 692 Q CB -0.202 28.554 28.738 0.029 0.000 0.915 692 Q HN 0.700 nan 8.270 nan 0.000 0.440 693 S N -0.569 115.165 115.700 0.058 0.000 2.474 693 S HA -0.132 4.350 4.470 0.019 0.000 0.235 693 S C 1.050 175.564 174.600 -0.143 0.000 0.997 693 S CA 0.527 58.699 58.200 -0.047 0.000 0.949 693 S CB -0.259 62.900 63.200 -0.068 0.000 0.766 693 S HN 0.382 nan 8.310 nan 0.000 0.517 694 Y N 2.456 122.789 120.300 0.054 0.000 2.547 694 Y HA 0.238 4.798 4.550 0.018 0.000 0.325 694 Y C 0.256 176.170 175.900 0.023 0.000 1.165 694 Y CA -0.606 57.517 58.100 0.037 0.000 1.300 694 Y CB -0.751 37.732 38.460 0.039 0.000 1.126 694 Y HN 0.180 nan 8.280 nan 0.000 0.513 695 D N 1.259 121.720 120.400 0.101 0.000 2.692 695 D HA -0.234 4.417 4.640 0.019 0.000 0.233 695 D C -0.197 176.144 176.300 0.069 0.000 1.172 695 D CA 0.954 54.992 54.000 0.063 0.000 0.636 695 D CB -0.630 40.195 40.800 0.040 0.000 1.028 695 D HN 0.566 nan 8.370 nan 0.000 0.419 696 E N -0.338 119.914 120.200 0.087 0.000 2.235 696 E HA 0.455 4.817 4.350 0.019 0.000 0.265 696 E C 0.478 177.100 176.600 0.036 0.000 0.940 696 E CA -1.019 55.417 56.400 0.060 0.000 0.819 696 E CB 1.577 31.322 29.700 0.076 0.000 1.206 696 E HN -0.001 nan 8.360 nan 0.000 0.409 697 I N 2.376 122.954 120.570 0.013 0.000 2.312 697 I HA 0.146 4.328 4.170 0.019 0.000 0.291 697 I C -0.005 176.113 176.117 0.002 0.000 1.031 697 I CA -0.023 61.277 61.300 -0.001 0.000 1.293 697 I CB 0.433 38.421 38.000 -0.020 0.000 1.403 697 I HN 0.355 nan 8.210 nan 0.000 0.484 698 T N 6.011 120.568 114.554 0.006 0.000 2.771 698 T HA 0.673 5.035 4.350 0.019 0.000 0.281 698 T C 0.196 174.894 174.700 -0.003 0.000 0.982 698 T CA -0.525 61.580 62.100 0.008 0.000 0.978 698 T CB 1.764 70.644 68.868 0.019 0.000 0.930 698 T HN 0.685 nan 8.240 nan 0.000 0.447 699 A N 3.418 126.235 122.820 -0.006 0.000 2.324 699 A HA 0.844 5.176 4.320 0.019 0.000 0.330 699 A C -0.480 177.103 177.584 -0.002 0.000 1.165 699 A CA -0.795 51.234 52.037 -0.014 0.000 0.813 699 A CB 0.973 19.955 19.000 -0.030 0.000 1.197 699 A HN 0.728 nan 8.150 nan 0.000 0.484 700 M N 1.968 121.567 119.600 -0.002 0.000 2.253 700 M HA 0.525 5.017 4.480 0.019 0.000 0.314 700 M C -0.804 175.505 176.300 0.014 0.000 1.019 700 M CA 0.011 55.318 55.300 0.011 0.000 0.932 700 M CB 1.691 34.295 32.600 0.006 0.000 1.606 700 M HN 0.559 nan 8.290 nan 0.000 0.430 701 T N 3.398 117.977 114.554 0.041 0.000 2.797 701 T HA 0.949 5.311 4.350 0.019 0.000 0.279 701 T C -0.048 174.696 174.700 0.073 0.000 0.991 701 T CA -0.550 61.585 62.100 0.057 0.000 0.979 701 T CB 1.412 70.351 68.868 0.119 0.000 0.943 701 T HN 0.902 nan 8.240 nan 0.000 0.444 702 G N 1.132 109.968 108.800 0.060 0.000 2.554 702 G HA2 0.553 4.525 3.960 0.019 0.000 0.306 702 G HA3 0.553 4.525 3.960 0.019 0.000 0.306 702 G C -1.046 173.885 174.900 0.050 0.000 1.320 702 G CA -0.515 44.620 45.100 0.058 0.000 0.800 702 G HN 0.583 nan 8.290 nan 0.000 0.481 703 D N -2.046 118.382 120.400 0.048 0.000 2.204 703 D HA 0.227 4.879 4.640 0.019 0.000 0.337 703 D C 0.999 177.323 176.300 0.041 0.000 1.054 703 D CA 0.949 54.975 54.000 0.043 0.000 0.869 703 D CB 0.077 40.905 40.800 0.046 0.000 1.548 703 D HN 0.873 nan 8.370 nan 0.000 0.530 704 G N 0.633 109.460 108.800 0.045 0.000 2.601 704 G HA2 0.466 4.437 3.960 0.019 0.000 0.317 704 G HA3 0.466 4.437 3.960 0.019 0.000 0.317 704 G C 1.032 175.961 174.900 0.049 0.000 1.246 704 G CA -0.123 45.007 45.100 0.050 0.000 1.012 704 G HN 0.308 nan 8.290 nan 0.000 0.494 705 V N -0.853 119.094 119.914 0.055 0.000 3.041 705 V HA -0.053 4.078 4.120 0.019 0.000 0.260 705 V C 1.999 178.123 176.094 0.050 0.000 1.105 705 V CA 1.617 63.946 62.300 0.048 0.000 1.125 705 V CB -0.676 31.178 31.823 0.053 0.000 0.730 705 V HN 0.680 nan 8.190 nan 0.000 0.479 706 N N 0.538 119.277 118.700 0.066 0.000 2.573 706 N HA -0.155 4.596 4.740 0.019 0.000 0.187 706 N C 0.966 176.504 175.510 0.046 0.000 1.107 706 N CA 1.608 54.696 53.050 0.064 0.000 0.918 706 N CB -0.458 38.085 38.487 0.094 0.000 0.966 706 N HN 0.573 nan 8.380 nan 0.000 0.448 707 D N -0.090 120.334 120.400 0.041 0.000 2.417 707 D HA 0.242 4.893 4.640 0.019 0.000 0.207 707 D C 1.696 178.007 176.300 0.019 0.000 1.075 707 D CA 0.370 54.388 54.000 0.031 0.000 0.851 707 D CB 0.284 41.106 40.800 0.036 0.000 0.976 707 D HN 0.319 nan 8.370 nan 0.000 0.505 708 A N 2.142 124.972 122.820 0.018 0.000 1.883 708 A HA -0.109 4.222 4.320 0.019 0.000 0.217 708 A C -0.278 177.306 177.584 0.001 0.000 1.186 708 A CA 1.346 53.389 52.037 0.010 0.000 0.624 708 A CB -1.426 17.581 19.000 0.011 0.000 0.822 708 A HN 0.146 nan 8.150 nan 0.000 0.444 709 P HA -0.159 nan 4.420 nan 0.000 0.215 709 P C 1.727 179.017 177.300 -0.017 0.000 1.157 709 P CA 2.112 65.204 63.100 -0.014 0.000 0.874 709 P CB -0.156 31.532 31.700 -0.020 0.000 0.790 710 A N -0.904 121.909 122.820 -0.013 0.000 1.930 710 A HA -0.138 4.194 4.320 0.019 0.000 0.217 710 A C 2.240 179.818 177.584 -0.010 0.000 1.175 710 A CA 1.289 53.316 52.037 -0.015 0.000 0.627 710 A CB -1.631 17.363 19.000 -0.011 0.000 0.815 710 A HN 0.108 nan 8.150 nan 0.000 0.443 711 L N -0.891 120.330 121.223 -0.004 0.000 2.046 711 L HA -0.208 4.144 4.340 0.019 0.000 0.208 711 L C 2.574 179.439 176.870 -0.009 0.000 1.077 711 L CA 1.749 56.587 54.840 -0.003 0.000 0.747 711 L CB -0.352 41.709 42.059 0.003 0.000 0.896 711 L HN 0.332 nan 8.230 nan 0.000 0.432 712 K N -0.061 120.333 120.400 -0.011 0.000 2.057 712 K HA -0.209 4.123 4.320 0.019 0.000 0.206 712 K C 2.150 178.740 176.600 -0.018 0.000 1.050 712 K CA 1.247 57.526 56.287 -0.014 0.000 0.935 712 K CB -0.044 32.447 32.500 -0.015 0.000 0.715 712 K HN 0.009 nan 8.250 nan 0.000 0.439 713 K N 1.042 121.430 120.400 -0.021 0.000 2.097 713 K HA -0.002 4.329 4.320 0.019 0.000 0.205 713 K C 0.450 177.038 176.600 -0.021 0.000 1.050 713 K CA 0.782 57.054 56.287 -0.025 0.000 0.938 713 K CB -0.090 32.389 32.500 -0.034 0.000 0.718 713 K HN 0.168 nan 8.250 nan 0.000 0.442 714 A N 0.749 123.560 122.820 -0.017 0.000 2.386 714 A HA 0.049 4.380 4.320 0.019 0.000 0.246 714 A C 0.788 178.364 177.584 -0.014 0.000 1.089 714 A CA -0.101 51.928 52.037 -0.012 0.000 0.790 714 A CB 0.212 19.207 19.000 -0.009 0.000 1.042 714 A HN 0.375 nan 8.150 nan 0.000 0.497 715 E N -0.413 119.779 120.200 -0.013 0.000 2.051 715 E HA -0.083 4.279 4.350 0.019 0.000 0.192 715 E C 0.420 177.009 176.600 -0.020 0.000 0.991 715 E CA 1.302 57.692 56.400 -0.016 0.000 0.799 715 E CB -0.083 29.607 29.700 -0.016 0.000 0.748 715 E HN 0.595 nan 8.360 nan 0.000 0.449 716 I N -0.211 120.345 120.570 -0.022 0.000 2.406 716 I HA 0.481 4.663 4.170 0.019 0.000 0.290 716 I C 0.356 176.459 176.117 -0.023 0.000 0.999 716 I CA -0.833 60.452 61.300 -0.026 0.000 1.124 716 I CB 1.181 39.160 38.000 -0.036 0.000 1.289 716 I HN -0.102 nan 8.210 nan 0.000 0.441 717 G N 6.928 115.716 108.800 -0.020 0.000 2.384 717 G HA2 0.699 4.671 3.960 0.019 0.000 0.316 717 G HA3 0.699 4.671 3.960 0.019 0.000 0.316 717 G C -0.636 174.254 174.900 -0.018 0.000 1.160 717 G CA -0.436 44.655 45.100 -0.015 0.000 0.936 717 G HN 0.557 nan 8.290 nan 0.000 0.455 718 I N 2.277 122.837 120.570 -0.018 0.000 2.355 718 I HA 0.493 4.674 4.170 0.019 0.000 0.288 718 I C 0.499 176.615 176.117 -0.002 0.000 0.999 718 I CA -0.733 60.554 61.300 -0.023 0.000 1.163 718 I CB 1.944 39.915 38.000 -0.049 0.000 1.316 718 I HN 0.505 nan 8.210 nan 0.000 0.454 719 A N 7.689 130.510 122.820 0.002 0.000 2.312 719 A HA 0.775 5.107 4.320 0.019 0.000 0.328 719 A C -0.040 177.557 177.584 0.021 0.000 1.158 719 A CA -0.711 51.335 52.037 0.016 0.000 0.821 719 A CB 0.914 19.922 19.000 0.013 0.000 1.170 719 A HN 0.614 nan 8.150 nan 0.000 0.490 720 M N 2.079 121.701 119.600 0.035 0.000 2.233 720 M HA 0.144 4.636 4.480 0.019 0.000 0.350 720 M C 1.593 177.913 176.300 0.033 0.000 1.176 720 M CA 0.209 55.534 55.300 0.041 0.000 1.150 720 M CB 0.486 33.118 32.600 0.053 0.000 1.530 720 M HN 0.925 nan 8.290 nan 0.000 0.459 721 G N 1.420 110.239 108.800 0.032 0.000 2.442 721 G HA2 -0.153 3.819 3.960 0.019 0.000 0.219 721 G HA3 -0.153 3.819 3.960 0.019 0.000 0.219 721 G C 1.352 176.272 174.900 0.034 0.000 1.141 721 G CA 0.682 45.801 45.100 0.031 0.000 0.763 721 G HN 0.689 nan 8.290 nan 0.000 0.554 722 S N 0.272 115.994 115.700 0.038 0.000 2.522 722 S HA 0.197 4.678 4.470 0.019 0.000 0.227 722 S C 1.581 176.201 174.600 0.034 0.000 0.986 722 S CA 0.345 58.567 58.200 0.037 0.000 0.929 722 S CB 0.020 63.246 63.200 0.043 0.000 0.769 722 S HN 0.591 nan 8.310 nan 0.000 0.529 723 G N 1.427 110.247 108.800 0.033 0.000 2.509 723 G HA2 0.410 4.381 3.960 0.019 0.000 0.269 723 G HA3 0.410 4.381 3.960 0.019 0.000 0.269 723 G C 0.083 174.999 174.900 0.026 0.000 1.416 723 G CA -0.334 44.785 45.100 0.032 0.000 1.052 723 G HN 0.363 nan 8.290 nan 0.000 0.542 724 T N -2.776 111.795 114.554 0.027 0.000 2.868 724 T HA 0.457 4.819 4.350 0.019 0.000 0.292 724 T C 1.561 176.274 174.700 0.021 0.000 1.028 724 T CA 0.353 62.467 62.100 0.024 0.000 1.059 724 T CB 1.489 70.374 68.868 0.028 0.000 0.991 724 T HN 0.831 nan 8.240 nan 0.000 0.531 725 A N 1.594 124.425 122.820 0.019 0.000 1.972 725 A HA 0.002 4.333 4.320 0.019 0.000 0.219 725 A C 2.388 179.982 177.584 0.017 0.000 1.169 725 A CA 1.640 53.686 52.037 0.016 0.000 0.635 725 A CB -1.181 17.828 19.000 0.015 0.000 0.810 725 A HN 1.188 nan 8.150 nan 0.000 0.446 726 V N -0.943 118.983 119.914 0.020 0.000 2.548 726 V HA -0.024 4.108 4.120 0.019 0.000 0.249 726 V C 2.459 178.563 176.094 0.017 0.000 1.055 726 V CA 2.099 64.410 62.300 0.019 0.000 1.065 726 V CB -0.811 31.025 31.823 0.022 0.000 0.681 726 V HN 0.548 nan 8.190 nan 0.000 0.462 727 A N 0.473 123.306 122.820 0.021 0.000 1.877 727 A HA -0.196 4.135 4.320 0.019 0.000 0.216 727 A C 2.256 179.848 177.584 0.014 0.000 1.186 727 A CA 2.115 54.164 52.037 0.020 0.000 0.620 727 A CB -0.658 18.357 19.000 0.026 0.000 0.822 727 A HN 0.624 nan 8.150 nan 0.000 0.443 728 K N -0.910 119.499 120.400 0.014 0.000 2.113 728 K HA -0.130 4.202 4.320 0.019 0.000 0.208 728 K C 2.087 178.690 176.600 0.006 0.000 1.047 728 K CA 1.807 58.100 56.287 0.010 0.000 0.928 728 K CB -0.453 32.054 32.500 0.011 0.000 0.716 728 K HN 0.466 nan 8.250 nan 0.000 0.446 729 T N 0.791 115.349 114.554 0.007 0.000 2.777 729 T HA -0.102 4.259 4.350 0.019 0.000 0.266 729 T C 1.731 176.432 174.700 0.001 0.000 1.040 729 T CA 1.380 63.483 62.100 0.004 0.000 1.141 729 T CB -0.132 68.740 68.868 0.006 0.000 0.868 729 T HN 0.328 nan 8.240 nan 0.000 0.444 730 A N 0.738 123.559 122.820 0.002 0.000 2.252 730 A HA 0.362 4.693 4.320 0.019 0.000 0.207 730 A C 1.248 178.830 177.584 -0.003 0.000 1.194 730 A CA 0.052 52.088 52.037 -0.001 0.000 0.809 730 A CB -0.059 18.941 19.000 0.001 0.000 0.814 730 A HN 0.319 nan 8.150 nan 0.000 0.482 731 S N -1.301 114.397 115.700 -0.003 0.000 2.681 731 S HA 0.444 4.926 4.470 0.019 0.000 0.299 731 S C 0.499 175.092 174.600 -0.011 0.000 1.113 731 S CA -0.441 57.755 58.200 -0.007 0.000 1.013 731 S CB 1.486 64.683 63.200 -0.004 0.000 1.076 731 S HN 0.384 nan 8.310 nan 0.000 0.534 732 E N 0.441 120.631 120.200 -0.016 0.000 2.340 732 E HA 0.310 4.672 4.350 0.019 0.000 0.198 732 E C -0.110 176.477 176.600 -0.023 0.000 0.961 732 E CA 0.622 57.010 56.400 -0.020 0.000 0.905 732 E CB 0.358 30.045 29.700 -0.023 0.000 0.884 732 E HN 0.384 nan 8.360 nan 0.000 0.491 733 M N 0.554 120.139 119.600 -0.025 0.000 2.591 733 M HA 0.447 4.938 4.480 0.019 0.000 0.306 733 M C -1.377 174.910 176.300 -0.022 0.000 1.190 733 M CA -0.929 54.354 55.300 -0.028 0.000 0.889 733 M CB 2.549 35.124 32.600 -0.041 0.000 1.728 733 M HN -0.290 nan 8.290 nan 0.000 0.458 734 V N 4.044 123.946 119.914 -0.019 0.000 2.577 734 V HA 0.410 4.541 4.120 0.019 0.000 0.303 734 V C -0.478 175.609 176.094 -0.012 0.000 1.042 734 V CA -0.719 61.575 62.300 -0.010 0.000 0.872 734 V CB 2.057 33.879 31.823 -0.001 0.000 0.998 734 V HN 0.702 nan 8.190 nan 0.000 0.423 735 L N 4.210 125.429 121.223 -0.007 0.000 2.328 735 L HA 0.392 4.743 4.340 0.019 0.000 0.280 735 L C 1.547 178.421 176.870 0.008 0.000 1.111 735 L CA -0.225 54.611 54.840 -0.007 0.000 0.909 735 L CB 0.753 42.809 42.059 -0.005 0.000 1.277 735 L HN 0.843 nan 8.230 nan 0.000 0.433 736 A N 1.561 124.383 122.820 0.004 0.000 1.933 736 A HA -0.197 4.134 4.320 0.019 0.000 0.218 736 A C 1.827 179.423 177.584 0.020 0.000 1.175 736 A CA 1.447 53.495 52.037 0.019 0.000 0.628 736 A CB -0.224 18.789 19.000 0.021 0.000 0.814 736 A HN 0.681 nan 8.150 nan 0.000 0.444 737 D N -0.200 120.200 120.400 0.000 0.000 2.190 737 D HA -0.136 4.516 4.640 0.019 0.000 0.200 737 D C 0.028 176.341 176.300 0.023 0.000 0.992 737 D CA 1.415 55.416 54.000 0.001 0.000 0.854 737 D CB -0.158 40.635 40.800 -0.012 0.000 0.936 737 D HN 0.452 nan 8.370 nan 0.000 0.462 738 D N -0.812 119.607 120.400 0.032 0.000 3.012 738 D HA -0.240 4.412 4.640 0.019 0.000 0.222 738 D C -0.373 175.971 176.300 0.072 0.000 1.167 738 D CA 0.554 54.586 54.000 0.053 0.000 0.854 738 D CB -1.959 38.871 40.800 0.051 0.000 1.107 738 D HN 0.349 nan 8.370 nan 0.000 0.421 739 N N 0.129 118.863 118.700 0.056 0.000 2.462 739 N HA 0.178 4.929 4.740 0.019 0.000 0.242 739 N C 0.348 175.914 175.510 0.093 0.000 1.010 739 N CA -0.417 52.675 53.050 0.071 0.000 0.939 739 N CB 0.165 38.670 38.487 0.031 0.000 1.127 739 N HN -0.023 nan 8.380 nan 0.000 0.509 740 F N 2.873 122.816 119.950 -0.011 0.000 2.293 740 F HA -0.050 4.489 4.527 0.019 0.000 0.300 740 F C 2.050 177.842 175.800 -0.014 0.000 1.086 740 F CA 0.927 58.920 58.000 -0.012 0.000 1.375 740 F CB 0.143 39.135 39.000 -0.012 0.000 1.045 740 F HN 0.485 nan 8.300 nan 0.000 0.516 741 S N -0.466 115.296 115.700 0.104 0.000 2.383 741 S HA -0.217 4.265 4.470 0.019 0.000 0.229 741 S C 1.963 176.528 174.600 -0.058 0.000 1.030 741 S CA 1.853 60.072 58.200 0.031 0.000 1.002 741 S CB -0.563 62.662 63.200 0.040 0.000 0.829 741 S HN 0.481 nan 8.310 nan 0.000 0.467 742 T N 2.615 117.128 114.554 -0.069 0.000 2.778 742 T HA -0.074 4.288 4.350 0.019 0.000 0.269 742 T C 1.637 176.259 174.700 -0.131 0.000 1.050 742 T CA 1.224 63.273 62.100 -0.084 0.000 1.137 742 T CB -0.479 68.347 68.868 -0.070 0.000 0.860 742 T HN 0.408 nan 8.240 nan 0.000 0.468 743 I N 0.799 121.234 120.570 -0.225 0.000 2.208 743 I HA -0.168 4.013 4.170 0.019 0.000 0.245 743 I C 2.456 178.462 176.117 -0.186 0.000 1.097 743 I CA 1.052 62.194 61.300 -0.264 0.000 1.363 743 I CB -0.657 37.047 38.000 -0.493 0.000 1.051 743 I HN 0.115 nan 8.210 nan 0.000 0.413 744 V N 1.110 120.926 119.914 -0.163 0.000 2.358 744 V HA -0.250 3.881 4.120 0.019 0.000 0.246 744 V C 2.788 178.842 176.094 -0.066 0.000 1.047 744 V CA 1.861 64.107 62.300 -0.091 0.000 1.035 744 V CB -1.026 30.768 31.823 -0.049 0.000 0.658 744 V HN 0.485 nan 8.190 nan 0.000 0.452 745 A N 0.337 123.119 122.820 -0.063 0.000 1.883 745 A HA -0.194 4.137 4.320 0.019 0.000 0.217 745 A C 2.442 179.993 177.584 -0.054 0.000 1.186 745 A CA 2.345 54.353 52.037 -0.049 0.000 0.624 745 A CB -0.924 18.049 19.000 -0.045 0.000 0.822 745 A HN 0.590 nan 8.150 nan 0.000 0.444 746 A N -0.670 122.108 122.820 -0.069 0.000 1.972 746 A HA 0.015 4.347 4.320 0.019 0.000 0.219 746 A C 2.222 179.770 177.584 -0.060 0.000 1.169 746 A CA 1.777 53.774 52.037 -0.066 0.000 0.635 746 A CB -0.903 18.051 19.000 -0.076 0.000 0.810 746 A HN 0.407 nan 8.150 nan 0.000 0.446 747 V N -0.053 119.822 119.914 -0.064 0.000 2.255 747 V HA -0.305 3.827 4.120 0.019 0.000 0.247 747 V C 2.523 178.593 176.094 -0.040 0.000 1.051 747 V CA 2.375 64.643 62.300 -0.054 0.000 1.018 747 V CB -0.792 30.997 31.823 -0.055 0.000 0.641 747 V HN 0.775 nan 8.190 nan 0.000 0.445 748 E N -0.094 120.084 120.200 -0.036 0.000 2.085 748 E HA -0.321 4.041 4.350 0.019 0.000 0.194 748 E C 2.191 178.778 176.600 -0.023 0.000 0.994 748 E CA 1.755 58.140 56.400 -0.025 0.000 0.801 748 E CB -0.038 29.649 29.700 -0.022 0.000 0.743 748 E HN 0.644 nan 8.360 nan 0.000 0.453 749 E N -0.315 119.866 120.200 -0.033 0.000 2.077 749 E HA -0.109 4.253 4.350 0.019 0.000 0.193 749 E C 1.905 178.487 176.600 -0.030 0.000 0.989 749 E CA 1.605 57.982 56.400 -0.037 0.000 0.800 749 E CB -0.670 29.001 29.700 -0.049 0.000 0.746 749 E HN 0.332 nan 8.360 nan 0.000 0.452 750 G N -0.127 108.656 108.800 -0.028 0.000 2.432 750 G HA2 -0.304 3.667 3.960 0.019 0.000 0.219 750 G HA3 -0.304 3.667 3.960 0.019 0.000 0.219 750 G C 1.797 176.706 174.900 0.015 0.000 1.135 750 G CA 0.822 45.912 45.100 -0.016 0.000 0.767 750 G HN 0.167 nan 8.290 nan 0.000 0.550 751 R N 0.492 120.997 120.500 0.009 0.000 2.075 751 R HA 0.142 4.494 4.340 0.019 0.000 0.232 751 R C 2.901 179.252 176.300 0.086 0.000 1.126 751 R CA 1.540 57.662 56.100 0.037 0.000 0.963 751 R CB -0.462 29.844 30.300 0.009 0.000 0.858 751 R HN 0.277 nan 8.270 nan 0.000 0.435 752 A N 0.149 122.991 122.820 0.037 0.000 1.897 752 A HA -0.071 4.261 4.320 0.019 0.000 0.215 752 A C 2.168 179.758 177.584 0.010 0.000 1.181 752 A CA 1.189 53.239 52.037 0.020 0.000 0.620 752 A CB -0.508 18.486 19.000 -0.010 0.000 0.821 752 A HN 0.297 nan 8.150 nan 0.000 0.443 753 I N -1.809 118.762 120.570 0.001 0.000 2.208 753 I HA -0.296 3.885 4.170 0.019 0.000 0.245 753 I C 2.443 178.567 176.117 0.012 0.000 1.097 753 I CA 1.815 63.100 61.300 -0.025 0.000 1.363 753 I CB -0.365 37.616 38.000 -0.031 0.000 1.051 753 I HN 0.546 nan 8.210 nan 0.000 0.413 754 Y N 1.944 122.218 120.300 -0.044 0.000 2.070 754 Y HA -0.308 4.254 4.550 0.020 0.000 0.280 754 Y C 2.265 178.159 175.900 -0.011 0.000 1.148 754 Y CA 2.130 60.214 58.100 -0.028 0.000 1.125 754 Y CB -0.670 37.776 38.460 -0.022 0.000 0.975 754 Y HN 0.192 nan 8.280 nan 0.000 0.492 755 N N -0.215 118.502 118.700 0.030 0.000 2.104 755 N HA -0.232 4.520 4.740 0.019 0.000 0.190 755 N C 1.341 176.811 175.510 -0.068 0.000 1.024 755 N CA 1.147 54.177 53.050 -0.032 0.000 0.853 755 N CB -0.220 38.297 38.487 0.049 0.000 1.008 755 N HN 0.396 nan 8.380 nan 0.000 0.424 756 N N 0.831 119.501 118.700 -0.051 0.000 2.084 756 N HA -0.099 4.653 4.740 0.019 0.000 0.190 756 N C 1.592 177.076 175.510 -0.044 0.000 1.030 756 N CA 1.020 54.047 53.050 -0.038 0.000 0.849 756 N CB -0.287 38.164 38.487 -0.060 0.000 1.012 756 N HN 0.218 nan 8.380 nan 0.000 0.423 757 M N 1.318 120.845 119.600 -0.120 0.000 2.106 757 M HA -0.116 4.376 4.480 0.019 0.000 0.259 757 M C 1.837 178.098 176.300 -0.065 0.000 1.068 757 M CA 1.301 56.525 55.300 -0.127 0.000 1.100 757 M CB -0.932 31.550 32.600 -0.196 0.000 1.351 757 M HN 0.149 nan 8.290 nan 0.000 0.404 758 K N -0.302 119.991 120.400 -0.179 0.000 1.991 758 K HA -0.220 4.111 4.320 0.019 0.000 0.212 758 K C 2.087 178.705 176.600 0.029 0.000 1.049 758 K CA 1.559 57.778 56.287 -0.113 0.000 0.932 758 K CB -0.143 32.263 32.500 -0.157 0.000 0.717 758 K HN 0.176 nan 8.250 nan 0.000 0.441 759 Q N -0.044 119.785 119.800 0.048 0.000 2.135 759 Q HA -0.158 4.194 4.340 0.019 0.000 0.204 759 Q C 1.757 177.835 176.000 0.131 0.000 0.981 759 Q CA 1.462 57.314 55.803 0.082 0.000 0.856 759 Q CB -0.384 28.392 28.738 0.063 0.000 0.902 759 Q HN 0.325 nan 8.270 nan 0.000 0.425 760 F N 0.139 120.093 119.950 0.006 0.000 2.095 760 F HA -0.201 4.338 4.527 0.020 0.000 0.298 760 F C 1.742 177.567 175.800 0.042 0.000 1.104 760 F CA 1.356 59.384 58.000 0.047 0.000 1.232 760 F CB -0.137 38.873 39.000 0.017 0.000 0.987 760 F HN 0.036 nan 8.300 nan 0.000 0.475 761 I N -0.027 120.658 120.570 0.192 0.000 2.226 761 I HA -0.275 3.906 4.170 0.019 0.000 0.245 761 I C 2.722 178.699 176.117 -0.234 0.000 1.100 761 I CA 1.237 62.545 61.300 0.014 0.000 1.374 761 I CB -0.573 37.465 38.000 0.064 0.000 1.057 761 I HN 0.123 nan 8.210 nan 0.000 0.413 762 R N 0.271 120.668 120.500 -0.172 0.000 2.081 762 R HA -0.249 4.103 4.340 0.019 0.000 0.235 762 R C 2.511 178.622 176.300 -0.315 0.000 1.131 762 R CA 1.940 57.840 56.100 -0.334 0.000 0.960 762 R CB -0.518 29.794 30.300 0.018 0.000 0.856 762 R HN 0.327 nan 8.270 nan 0.000 0.436 763 Y N 1.242 121.385 120.300 -0.262 0.000 2.114 763 Y HA -0.205 4.357 4.550 0.019 0.000 0.284 763 Y C 2.013 177.725 175.900 -0.313 0.000 1.143 763 Y CA 1.656 59.606 58.100 -0.249 0.000 1.135 763 Y CB -0.530 37.800 38.460 -0.218 0.000 0.980 763 Y HN 0.005 nan 8.280 nan 0.000 0.499 764 L N -0.658 120.213 121.223 -0.586 0.000 2.044 764 L HA -0.205 4.147 4.340 0.019 0.000 0.205 764 L C 2.372 178.943 176.870 -0.497 0.000 1.075 764 L CA 0.795 55.243 54.840 -0.654 0.000 0.747 764 L CB -0.570 41.166 42.059 -0.539 0.000 0.903 764 L HN 0.272 nan 8.230 nan 0.000 0.435 765 I N 0.218 120.515 120.570 -0.456 0.000 2.090 765 I HA -0.263 3.918 4.170 0.019 0.000 0.236 765 I C 2.894 178.769 176.117 -0.403 0.000 1.064 765 I CA 1.980 63.039 61.300 -0.401 0.000 1.324 765 I CB -1.438 36.251 38.000 -0.519 0.000 1.044 765 I HN 0.334 nan 8.210 nan 0.000 0.399 766 S N 0.280 115.683 115.700 -0.496 0.000 2.400 766 S HA -0.150 4.332 4.470 0.019 0.000 0.232 766 S C 2.095 176.530 174.600 -0.274 0.000 1.025 766 S CA 1.681 59.687 58.200 -0.324 0.000 0.993 766 S CB -0.600 62.444 63.200 -0.261 0.000 0.808 766 S HN 0.383 nan 8.310 nan 0.000 0.478 767 S N 2.785 118.267 115.700 -0.365 0.000 2.348 767 S HA 0.074 4.556 4.470 0.019 0.000 0.219 767 S C 1.688 176.122 174.600 -0.278 0.000 1.033 767 S CA 0.971 58.965 58.200 -0.343 0.000 0.974 767 S CB -0.567 62.289 63.200 -0.574 0.000 0.868 767 S HN 0.565 nan 8.310 nan 0.000 0.459 768 N N 1.214 119.730 118.700 -0.306 0.000 2.512 768 N HA 0.047 4.798 4.740 0.019 0.000 0.183 768 N C 1.351 176.753 175.510 -0.180 0.000 1.073 768 N CA 0.244 53.159 53.050 -0.225 0.000 0.911 768 N CB -0.358 37.995 38.487 -0.223 0.000 0.964 768 N HN 0.146 nan 8.380 nan 0.000 0.447 769 V N 0.067 119.867 119.914 -0.190 0.000 2.379 769 V HA -0.077 4.054 4.120 0.019 0.000 0.245 769 V C 2.326 178.336 176.094 -0.140 0.000 1.044 769 V CA 1.947 64.148 62.300 -0.165 0.000 1.036 769 V CB -1.038 30.680 31.823 -0.175 0.000 0.664 769 V HN 0.333 nan 8.190 nan 0.000 0.453 770 G N -0.271 108.450 108.800 -0.131 0.000 2.440 770 G HA2 -0.253 3.718 3.960 0.019 0.000 0.218 770 G HA3 -0.253 3.718 3.960 0.019 0.000 0.218 770 G C 1.393 176.248 174.900 -0.075 0.000 1.154 770 G CA 0.955 45.998 45.100 -0.094 0.000 0.767 770 G HN 0.590 nan 8.290 nan 0.000 0.552 771 E N -0.118 120.030 120.200 -0.087 0.000 2.118 771 E HA -0.103 4.258 4.350 0.019 0.000 0.195 771 E C 2.619 179.195 176.600 -0.039 0.000 0.992 771 E CA 1.093 57.456 56.400 -0.062 0.000 0.804 771 E CB -0.103 29.549 29.700 -0.079 0.000 0.741 771 E HN 0.384 nan 8.360 nan 0.000 0.458 772 V N 0.540 120.410 119.914 -0.073 0.000 2.446 772 V HA -0.146 3.986 4.120 0.019 0.000 0.244 772 V C 2.284 178.338 176.094 -0.067 0.000 1.039 772 V CA 0.762 63.010 62.300 -0.087 0.000 1.045 772 V CB 0.007 31.715 31.823 -0.191 0.000 0.681 772 V HN 0.100 nan 8.190 nan 0.000 0.459 773 V N -0.371 119.496 119.914 -0.079 0.000 2.380 773 V HA -0.363 3.769 4.120 0.019 0.000 0.251 773 V C 2.595 178.719 176.094 0.050 0.000 1.063 773 V CA 2.407 64.689 62.300 -0.030 0.000 1.055 773 V CB -0.721 31.071 31.823 -0.051 0.000 0.657 773 V HN 0.796 nan 8.190 nan 0.000 0.455 774 C N -0.011 119.310 119.300 0.035 0.000 2.442 774 C HA -0.178 4.294 4.460 0.019 0.000 0.279 774 C C 2.554 177.609 174.990 0.108 0.000 1.237 774 C CA 1.441 60.491 59.018 0.054 0.000 1.722 774 C CB -0.992 26.764 27.740 0.026 0.000 2.056 774 C HN 0.566 nan 8.230 nan 0.000 0.469 775 I N -0.038 120.620 120.570 0.147 0.000 2.264 775 I HA -0.178 4.004 4.170 0.019 0.000 0.248 775 I C 2.237 178.489 176.117 0.226 0.000 1.111 775 I CA 1.783 63.193 61.300 0.182 0.000 1.382 775 I CB -0.488 37.645 38.000 0.221 0.000 1.060 775 I HN 0.289 nan 8.210 nan 0.000 0.418 776 F N -0.225 119.735 119.950 0.016 0.000 2.293 776 F HA -0.096 4.442 4.527 0.020 0.000 0.297 776 F C 2.096 177.909 175.800 0.022 0.000 1.089 776 F CA 0.824 58.838 58.000 0.023 0.000 1.377 776 F CB -0.548 38.465 39.000 0.021 0.000 1.051 776 F HN -0.027 nan 8.300 nan 0.000 0.511 777 L N -0.120 121.214 121.223 0.185 0.000 2.376 777 L HA -0.087 4.265 4.340 0.019 0.000 0.219 777 L C 2.329 179.244 176.870 0.075 0.000 1.133 777 L CA 1.704 56.608 54.840 0.106 0.000 0.816 777 L CB -0.938 41.165 42.059 0.073 0.000 0.933 777 L HN 0.265 nan 8.230 nan 0.000 0.449 778 T N -3.898 110.697 114.554 0.069 0.000 2.781 778 T HA 0.050 4.411 4.350 0.019 0.000 0.252 778 T C 1.922 176.631 174.700 0.015 0.000 1.039 778 T CA 0.558 62.687 62.100 0.048 0.000 1.147 778 T CB -0.867 68.031 68.868 0.051 0.000 0.865 778 T HN 0.197 nan 8.240 nan 0.000 0.423 779 A N 1.531 124.340 122.820 -0.019 0.000 2.076 779 A HA 0.333 4.665 4.320 0.019 0.000 0.220 779 A C 2.509 180.070 177.584 -0.038 0.000 1.160 779 A CA 1.821 53.818 52.037 -0.067 0.000 0.653 779 A CB -1.054 17.856 19.000 -0.151 0.000 0.801 779 A HN 0.770 nan 8.150 nan 0.000 0.455 780 A N -1.290 121.524 122.820 -0.010 0.000 1.920 780 A HA 0.319 4.651 4.320 0.019 0.000 0.209 780 A C 1.810 179.416 177.584 0.037 0.000 1.229 780 A CA 0.884 52.930 52.037 0.016 0.000 0.671 780 A CB -0.463 18.559 19.000 0.037 0.000 0.886 780 A HN 0.509 nan 8.150 nan 0.000 0.461 781 L N -0.013 121.236 121.223 0.044 0.000 2.456 781 L HA 0.190 4.542 4.340 0.019 0.000 0.224 781 L C 1.180 178.078 176.870 0.047 0.000 1.148 781 L CA 1.421 56.289 54.840 0.047 0.000 0.825 781 L CB -0.560 41.530 42.059 0.051 0.000 0.937 781 L HN 0.800 nan 8.230 nan 0.000 0.450 782 G N 0.053 108.880 108.800 0.045 0.000 2.643 782 G HA2 -0.191 3.781 3.960 0.019 0.000 0.280 782 G HA3 -0.191 3.781 3.960 0.019 0.000 0.280 782 G C -0.447 174.478 174.900 0.042 0.000 1.120 782 G CA 0.245 45.380 45.100 0.057 0.000 1.165 782 G HN 0.283 nan 8.290 nan 0.000 0.540 783 L N 0.109 121.344 121.223 0.020 0.000 2.303 783 L HA 0.665 5.016 4.340 0.019 0.000 0.256 783 L C -1.891 174.960 176.870 -0.031 0.000 1.034 783 L CA -2.591 52.258 54.840 0.016 0.000 0.832 783 L CB 1.961 44.066 42.059 0.076 0.000 1.403 783 L HN 0.099 nan 8.230 nan 0.000 0.419 784 P HA 0.104 nan 4.420 nan 0.000 0.271 784 P C -0.980 176.360 177.300 0.067 0.000 1.218 784 P CA -0.410 62.687 63.100 -0.005 0.000 0.780 784 P CB 0.348 32.116 31.700 0.115 0.000 0.901 785 E N 0.660 120.873 120.200 0.021 0.000 2.502 785 E HA 0.006 4.368 4.350 0.019 0.000 0.261 785 E C 0.764 177.419 176.600 0.093 0.000 0.974 785 E CA 0.160 56.584 56.400 0.040 0.000 0.936 785 E CB 0.425 30.143 29.700 0.029 0.000 0.926 785 E HN 0.477 nan 8.360 nan 0.000 0.459 786 A N 4.509 127.375 122.820 0.077 0.000 2.030 786 A HA 0.138 4.470 4.320 0.019 0.000 0.215 786 A C 0.608 178.220 177.584 0.047 0.000 1.164 786 A CA 0.597 52.678 52.037 0.074 0.000 0.697 786 A CB 0.305 19.344 19.000 0.066 0.000 0.827 786 A HN 0.473 nan 8.150 nan 0.000 0.457 787 L N -1.670 119.579 121.223 0.042 0.000 2.479 787 L HA 0.584 4.936 4.340 0.019 0.000 0.255 787 L C -0.847 176.042 176.870 0.032 0.000 1.026 787 L CA -0.596 54.266 54.840 0.037 0.000 0.842 787 L CB 2.105 44.185 42.059 0.034 0.000 1.444 787 L HN 0.122 nan 8.230 nan 0.000 0.409 788 I N 0.589 121.182 120.570 0.038 0.000 3.023 788 I HA 0.356 4.538 4.170 0.019 0.000 0.312 788 I C -1.660 174.440 176.117 -0.028 0.000 1.056 788 I CA -2.206 59.110 61.300 0.027 0.000 1.033 788 I CB 3.043 41.091 38.000 0.081 0.000 1.233 788 I HN 0.393 nan 8.210 nan 0.000 0.462 789 P HA -0.178 nan 4.420 nan 0.000 0.215 789 P C 1.464 178.760 177.300 -0.007 0.000 1.163 789 P CA 1.323 64.351 63.100 -0.120 0.000 0.894 789 P CB 0.080 31.667 31.700 -0.187 0.000 0.791 790 V N -0.583 119.352 119.914 0.036 0.000 2.515 790 V HA -0.219 3.913 4.120 0.019 0.000 0.250 790 V C 2.415 178.671 176.094 0.270 0.000 1.058 790 V CA 1.646 64.021 62.300 0.126 0.000 1.064 790 V CB -1.392 30.454 31.823 0.039 0.000 0.675 790 V HN 0.184 nan 8.190 nan 0.000 0.461 791 Q N -0.271 119.657 119.800 0.213 0.000 2.172 791 Q HA -0.059 4.292 4.340 0.019 0.000 0.200 791 Q C 2.319 178.451 176.000 0.220 0.000 0.964 791 Q CA 1.211 57.164 55.803 0.251 0.000 0.855 791 Q CB -0.166 28.663 28.738 0.151 0.000 0.918 791 Q HN 0.539 nan 8.270 nan 0.000 0.444 792 L N 0.357 121.655 121.223 0.124 0.000 2.056 792 L HA -0.192 4.159 4.340 0.019 0.000 0.207 792 L C 2.229 179.156 176.870 0.095 0.000 1.078 792 L CA 0.973 55.858 54.840 0.076 0.000 0.749 792 L CB -0.335 41.730 42.059 0.010 0.000 0.901 792 L HN 0.262 nan 8.230 nan 0.000 0.433 793 L N -1.527 119.774 121.223 0.130 0.000 2.131 793 L HA -0.261 4.091 4.340 0.019 0.000 0.210 793 L C 2.414 179.406 176.870 0.203 0.000 1.092 793 L CA 1.232 56.156 54.840 0.140 0.000 0.759 793 L CB -0.606 41.545 42.059 0.153 0.000 0.903 793 L HN 0.539 nan 8.230 nan 0.000 0.435 794 W N 1.257 122.620 121.300 0.106 0.000 2.408 794 W HA -0.165 4.507 4.660 0.020 0.000 0.311 794 W C 2.304 178.838 176.519 0.025 0.000 1.190 794 W CA 2.094 59.487 57.345 0.080 0.000 1.321 794 W CB -0.125 29.372 29.460 0.061 0.000 1.143 794 W HN 0.071 nan 8.180 nan 0.000 0.501 795 V N 0.790 120.734 119.914 0.050 0.000 2.453 795 V HA -0.349 3.782 4.120 0.019 0.000 0.252 795 V C 2.062 178.060 176.094 -0.161 0.000 1.068 795 V CA 2.474 64.711 62.300 -0.104 0.000 1.070 795 V CB -1.738 30.070 31.823 -0.026 0.000 0.664 795 V HN 0.226 nan 8.190 nan 0.000 0.461 796 N N 1.054 119.694 118.700 -0.101 0.000 2.039 796 N HA -0.180 4.572 4.740 0.019 0.000 0.193 796 N C 1.687 177.112 175.510 -0.142 0.000 1.044 796 N CA 1.915 54.906 53.050 -0.099 0.000 0.847 796 N CB -0.514 37.944 38.487 -0.048 0.000 1.030 796 N HN 0.436 nan 8.380 nan 0.000 0.422 797 L N -0.221 120.896 121.223 -0.177 0.000 2.197 797 L HA -0.070 4.282 4.340 0.019 0.000 0.215 797 L C 1.614 178.300 176.870 -0.306 0.000 1.095 797 L CA 1.476 56.183 54.840 -0.222 0.000 0.764 797 L CB -0.248 41.648 42.059 -0.272 0.000 0.897 797 L HN 0.173 nan 8.230 nan 0.000 0.436 798 V N -1.781 117.884 119.914 -0.415 0.000 3.645 798 V HA 0.022 4.153 4.120 0.019 0.000 0.275 798 V C 1.952 177.929 176.094 -0.194 0.000 1.356 798 V CA 1.099 63.163 62.300 -0.392 0.000 1.051 798 V CB 0.354 31.764 31.823 -0.689 0.000 0.828 798 V HN 0.717 nan 8.190 nan 0.000 0.441 799 T N -4.708 109.761 114.554 -0.142 0.000 3.000 799 T HA 0.070 4.432 4.350 0.019 0.000 0.248 799 T C 0.983 175.711 174.700 0.046 0.000 1.034 799 T CA 0.467 62.555 62.100 -0.020 0.000 1.060 799 T CB 0.112 68.949 68.868 -0.051 0.000 0.983 799 T HN 0.235 nan 8.240 nan 0.000 0.482 800 D N 1.341 121.721 120.400 -0.033 0.000 2.363 800 D HA 0.375 5.027 4.640 0.019 0.000 0.214 800 D C 1.345 177.656 176.300 0.017 0.000 1.093 800 D CA 0.110 54.100 54.000 -0.017 0.000 0.837 800 D CB 0.398 41.153 40.800 -0.074 0.000 0.948 800 D HN 0.567 nan 8.370 nan 0.000 0.507 801 G N -0.049 108.755 108.800 0.006 0.000 3.411 801 G HA2 0.129 4.101 3.960 0.019 0.000 0.186 801 G HA3 0.129 4.101 3.960 0.019 0.000 0.186 801 G C 1.005 175.926 174.900 0.035 0.000 1.766 801 G CA -0.272 44.838 45.100 0.017 0.000 0.971 801 G HN 0.025 nan 8.290 nan 0.000 0.590 802 L N 1.807 123.032 121.223 0.005 0.000 2.081 802 L HA -0.011 4.341 4.340 0.019 0.000 0.212 802 L C -0.020 176.843 176.870 -0.012 0.000 1.080 802 L CA 1.818 56.656 54.840 -0.003 0.000 0.754 802 L CB -1.422 40.623 42.059 -0.023 0.000 0.893 802 L HN 0.247 nan 8.230 nan 0.000 0.433 803 P HA -0.118 nan 4.420 nan 0.000 0.220 803 P C 1.360 178.564 177.300 -0.159 0.000 1.148 803 P CA 1.629 64.667 63.100 -0.104 0.000 0.803 803 P CB 0.059 31.688 31.700 -0.118 0.000 0.782 804 A N -0.993 121.813 122.820 -0.023 0.000 1.850 804 A HA -0.064 4.268 4.320 0.019 0.000 0.212 804 A C 2.192 179.953 177.584 0.296 0.000 1.208 804 A CA 1.806 53.889 52.037 0.075 0.000 0.609 804 A CB -1.687 17.385 19.000 0.120 0.000 0.860 804 A HN 0.083 nan 8.150 nan 0.000 0.448 805 T N 1.028 115.748 114.554 0.277 0.000 2.721 805 T HA -0.190 4.172 4.350 0.019 0.000 0.268 805 T C 2.076 176.892 174.700 0.193 0.000 1.038 805 T CA 1.817 64.049 62.100 0.220 0.000 1.145 805 T CB -0.517 68.420 68.868 0.114 0.000 0.858 805 T HN 0.599 nan 8.240 nan 0.000 0.459 806 A N 1.520 124.405 122.820 0.108 0.000 1.972 806 A HA -0.030 4.301 4.320 0.019 0.000 0.219 806 A C 2.138 179.834 177.584 0.186 0.000 1.169 806 A CA 1.019 53.111 52.037 0.091 0.000 0.635 806 A CB -0.668 18.350 19.000 0.029 0.000 0.810 806 A HN 0.348 nan 8.150 nan 0.000 0.446 807 L N -0.115 121.191 121.223 0.138 0.000 2.129 807 L HA -0.174 4.177 4.340 0.019 0.000 0.212 807 L C 2.616 179.567 176.870 0.134 0.000 1.087 807 L CA 1.862 56.775 54.840 0.121 0.000 0.757 807 L CB -2.046 40.086 42.059 0.122 0.000 0.896 807 L HN 0.456 nan 8.230 nan 0.000 0.434 808 G N -1.872 107.016 108.800 0.148 0.000 2.527 808 G HA2 -0.261 3.711 3.960 0.019 0.000 0.219 808 G HA3 -0.261 3.711 3.960 0.019 0.000 0.219 808 G C 1.157 175.984 174.900 -0.120 0.000 1.117 808 G CA 0.156 45.251 45.100 -0.010 0.000 0.759 808 G HN 0.419 nan 8.290 nan 0.000 0.556 809 F N 0.374 120.272 119.950 -0.087 0.000 2.684 809 F HA 0.324 4.863 4.527 0.020 0.000 0.298 809 F C 0.645 176.444 175.800 -0.001 0.000 1.120 809 F CA -1.154 56.790 58.000 -0.093 0.000 1.332 809 F CB 0.116 38.985 39.000 -0.219 0.000 0.986 809 F HN -0.155 nan 8.300 nan 0.000 0.524 810 N N 2.982 121.757 118.700 0.126 0.000 2.441 810 N HA 0.066 4.818 4.740 0.019 0.000 0.251 810 N C -2.260 173.284 175.510 0.057 0.000 1.242 810 N CA -1.118 51.982 53.050 0.083 0.000 0.898 810 N CB 0.208 38.721 38.487 0.044 0.000 1.100 810 N HN 0.005 nan 8.380 nan 0.000 0.443 811 P HA 0.276 nan 4.420 nan 0.000 0.276 811 P C -2.591 174.718 177.300 0.016 0.000 1.244 811 P CA -1.132 61.991 63.100 0.038 0.000 0.801 811 P CB -0.094 31.630 31.700 0.039 0.000 1.006 812 P HA 0.065 nan 4.420 nan 0.000 0.269 812 P C -0.126 177.177 177.300 0.004 0.000 1.209 812 P CA 0.288 63.391 63.100 0.004 0.000 0.776 812 P CB 0.261 31.962 31.700 0.001 0.000 0.876 813 D N 0.555 120.958 120.400 0.005 0.000 2.362 813 D HA -0.027 4.625 4.640 0.019 0.000 0.238 813 D C 1.402 177.700 176.300 -0.003 0.000 1.212 813 D CA -0.044 53.957 54.000 0.002 0.000 0.902 813 D CB 0.417 41.222 40.800 0.008 0.000 1.180 813 D HN 0.231 nan 8.370 nan 0.000 0.445 814 L N 0.884 122.102 121.223 -0.008 0.000 2.156 814 L HA -0.047 4.305 4.340 0.019 0.000 0.208 814 L C 1.016 177.881 176.870 -0.009 0.000 1.095 814 L CA 0.923 55.757 54.840 -0.009 0.000 0.770 814 L CB -0.096 41.954 42.059 -0.013 0.000 0.914 814 L HN 0.479 nan 8.230 nan 0.000 0.439 815 D N -0.879 119.515 120.400 -0.011 0.000 2.395 815 D HA 0.078 4.730 4.640 0.019 0.000 0.213 815 D C 1.895 178.189 176.300 -0.010 0.000 1.110 815 D CA 0.030 54.022 54.000 -0.014 0.000 0.835 815 D CB 0.639 41.426 40.800 -0.022 0.000 0.965 815 D HN 0.203 nan 8.370 nan 0.000 0.505 816 I N 0.279 120.847 120.570 -0.004 0.000 2.236 816 I HA -0.252 3.929 4.170 0.019 0.000 0.249 816 I C 0.957 177.071 176.117 -0.005 0.000 1.102 816 I CA 1.173 62.473 61.300 0.001 0.000 1.365 816 I CB 0.253 38.257 38.000 0.007 0.000 1.051 816 I HN -0.101 nan 8.210 nan 0.000 0.420 817 M N -0.159 119.436 119.600 -0.008 0.000 2.738 817 M HA 0.137 4.629 4.480 0.019 0.000 0.295 817 M C 0.026 176.319 176.300 -0.012 0.000 1.266 817 M CA 0.534 55.827 55.300 -0.011 0.000 0.985 817 M CB -0.433 32.161 32.600 -0.010 0.000 1.365 817 M HN 0.145 nan 8.290 nan 0.000 0.492 818 D N 0.500 120.892 120.400 -0.014 0.000 2.520 818 D HA 0.142 4.794 4.640 0.019 0.000 0.223 818 D C 0.471 176.758 176.300 -0.022 0.000 1.186 818 D CA 0.125 54.115 54.000 -0.017 0.000 0.821 818 D CB 1.509 42.298 40.800 -0.017 0.000 1.072 818 D HN 0.383 nan 8.370 nan 0.000 0.518 819 R N 1.427 121.913 120.500 -0.023 0.000 2.643 819 R HA 0.578 4.929 4.340 0.019 0.000 0.272 819 R C -2.661 173.623 176.300 -0.027 0.000 0.995 819 R CA -1.497 54.586 56.100 -0.028 0.000 1.032 819 R CB 0.148 30.430 30.300 -0.030 0.000 1.126 819 R HN -0.243 nan 8.270 nan 0.000 0.505 820 P HA 0.121 nan 4.420 nan 0.000 0.271 820 P C -2.347 174.931 177.300 -0.036 0.000 1.244 820 P CA -1.032 62.050 63.100 -0.030 0.000 0.793 820 P CB -0.484 31.199 31.700 -0.029 0.000 0.984 821 P HA 0.143 nan 4.420 nan 0.000 0.272 821 P C -0.026 177.234 177.300 -0.068 0.000 1.230 821 P CA -0.118 62.948 63.100 -0.057 0.000 0.788 821 P CB 0.527 32.195 31.700 -0.053 0.000 0.949 822 R N 1.169 121.606 120.500 -0.106 0.000 2.539 822 R HA 0.274 4.626 4.340 0.019 0.000 0.275 822 R C 0.178 176.412 176.300 -0.109 0.000 1.077 822 R CA -0.383 55.641 56.100 -0.125 0.000 1.097 822 R CB 0.295 30.453 30.300 -0.236 0.000 1.018 822 R HN 0.476 nan 8.270 nan 0.000 0.483 823 S N 3.553 119.207 115.700 -0.076 0.000 2.549 823 S HA 0.166 4.647 4.470 0.019 0.000 0.279 823 S C -1.682 172.873 174.600 -0.076 0.000 1.321 823 S CA -1.392 56.775 58.200 -0.056 0.000 1.054 823 S CB 1.101 64.285 63.200 -0.027 0.000 0.899 823 S HN 0.651 nan 8.310 nan 0.000 0.497 824 P HA 0.067 nan 4.420 nan 0.000 0.225 824 P C 0.284 177.563 177.300 -0.035 0.000 1.156 824 P CA 0.827 63.887 63.100 -0.067 0.000 0.787 824 P CB 0.144 31.816 31.700 -0.046 0.000 0.802 825 K N -0.071 120.318 120.400 -0.019 0.000 2.577 825 K HA 0.170 4.502 4.320 0.019 0.000 0.210 825 K C 0.263 176.866 176.600 0.005 0.000 1.048 825 K CA -0.022 56.264 56.287 -0.001 0.000 1.188 825 K CB 0.133 32.635 32.500 0.003 0.000 0.910 825 K HN 0.216 nan 8.250 nan 0.000 0.483 826 E N 2.152 122.352 120.200 -0.000 0.000 2.390 826 E HA 0.131 4.493 4.350 0.019 0.000 0.261 826 E C -2.149 174.471 176.600 0.035 0.000 1.076 826 E CA -2.288 54.120 56.400 0.014 0.000 0.905 826 E CB 0.166 29.872 29.700 0.009 0.000 0.984 826 E HN 0.056 nan 8.360 nan 0.000 0.427 827 P HA -0.058 nan 4.420 nan 0.000 0.262 827 P C 0.979 178.308 177.300 0.049 0.000 1.199 827 P CA -0.207 62.913 63.100 0.034 0.000 0.763 827 P CB 0.607 32.321 31.700 0.025 0.000 0.790 828 L N 5.541 126.787 121.223 0.038 0.000 1.991 828 L HA -0.148 4.203 4.340 0.019 0.000 0.221 828 L C 0.906 177.770 176.870 -0.009 0.000 1.079 828 L CA 1.891 56.743 54.840 0.021 0.000 0.778 828 L CB -0.773 41.251 42.059 -0.058 0.000 0.893 828 L HN 0.342 nan 8.230 nan 0.000 0.437 829 I N 0.235 120.783 120.570 -0.038 0.000 2.307 829 I HA 0.137 4.319 4.170 0.019 0.000 0.289 829 I C 0.598 176.716 176.117 0.003 0.000 1.021 829 I CA -0.319 60.968 61.300 -0.022 0.000 1.224 829 I CB 1.059 39.053 38.000 -0.011 0.000 1.376 829 I HN 0.097 nan 8.210 nan 0.000 0.470 830 S N 4.188 119.907 115.700 0.033 0.000 2.568 830 S HA 0.116 4.597 4.470 0.019 0.000 0.282 830 S C 1.535 176.176 174.600 0.069 0.000 1.338 830 S CA 0.238 58.481 58.200 0.072 0.000 1.045 830 S CB 1.157 64.439 63.200 0.137 0.000 0.873 830 S HN 0.831 nan 8.310 nan 0.000 0.516 831 G N 2.755 111.612 108.800 0.095 0.000 2.442 831 G HA2 -0.219 3.752 3.960 0.019 0.000 0.219 831 G HA3 -0.219 3.752 3.960 0.019 0.000 0.219 831 G C 1.054 176.067 174.900 0.188 0.000 1.141 831 G CA 0.765 45.930 45.100 0.109 0.000 0.763 831 G HN 0.892 nan 8.290 nan 0.000 0.554 832 W N 0.846 122.187 121.300 0.068 0.000 2.436 832 W HA 0.178 4.850 4.660 0.019 0.000 0.284 832 W C 2.211 178.792 176.519 0.104 0.000 1.225 832 W CA 0.649 58.059 57.345 0.107 0.000 1.271 832 W CB -0.112 29.417 29.460 0.115 0.000 1.114 832 W HN 0.111 nan 8.180 nan 0.000 0.559 833 L N -0.575 120.645 121.223 -0.004 0.000 2.156 833 L HA -0.153 4.199 4.340 0.019 0.000 0.208 833 L C 2.374 178.788 176.870 -0.760 0.000 1.095 833 L CA 0.964 55.594 54.840 -0.350 0.000 0.770 833 L CB -0.903 41.044 42.059 -0.187 0.000 0.914 833 L HN -0.054 nan 8.230 nan 0.000 0.439 834 F N 0.014 119.575 119.950 -0.648 0.000 2.161 834 F HA -0.310 4.229 4.527 0.019 0.000 0.300 834 F C 2.255 177.879 175.800 -0.294 0.000 1.089 834 F CA 1.449 59.122 58.000 -0.545 0.000 1.282 834 F CB -0.282 38.587 39.000 -0.217 0.000 1.010 834 F HN 0.018 nan 8.300 nan 0.000 0.485 835 F N 0.883 120.647 119.950 -0.309 0.000 2.186 835 F HA -0.121 4.417 4.527 0.019 0.000 0.299 835 F C 2.591 178.137 175.800 -0.424 0.000 1.090 835 F CA 1.808 59.608 58.000 -0.334 0.000 1.307 835 F CB -0.538 38.279 39.000 -0.305 0.000 1.019 835 F HN -0.109 nan 8.300 nan 0.000 0.489 836 R N -1.219 118.920 120.500 -0.602 0.000 2.115 836 R HA -0.165 4.187 4.340 0.019 0.000 0.226 836 R C 2.097 178.248 176.300 -0.248 0.000 1.100 836 R CA 1.294 57.073 56.100 -0.535 0.000 0.980 836 R CB -0.492 29.460 30.300 -0.581 0.000 0.875 836 R HN 0.273 nan 8.270 nan 0.000 0.445 837 Y N -0.113 119.948 120.300 -0.399 0.000 2.274 837 Y HA -0.157 4.405 4.550 0.019 0.000 0.290 837 Y C 2.119 177.778 175.900 -0.402 0.000 1.145 837 Y CA 0.846 58.731 58.100 -0.359 0.000 1.203 837 Y CB -0.266 37.966 38.460 -0.381 0.000 0.984 837 Y HN 0.083 nan 8.280 nan 0.000 0.533 838 M N -0.897 118.493 119.600 -0.351 0.000 2.216 838 M HA 0.061 4.552 4.480 0.019 0.000 0.264 838 M C 2.525 178.613 176.300 -0.352 0.000 1.080 838 M CA 1.233 56.313 55.300 -0.366 0.000 1.153 838 M CB -1.648 30.703 32.600 -0.415 0.000 1.356 838 M HN 0.148 nan 8.290 nan 0.000 0.432 839 A N 0.901 123.401 122.820 -0.532 0.000 1.948 839 A HA -0.158 4.174 4.320 0.019 0.000 0.220 839 A C 2.167 179.626 177.584 -0.209 0.000 1.177 839 A CA 1.459 53.234 52.037 -0.437 0.000 0.636 839 A CB -0.657 17.981 19.000 -0.603 0.000 0.815 839 A HN 0.364 nan 8.150 nan 0.000 0.449 840 I N -0.604 119.852 120.570 -0.190 0.000 2.235 840 I HA -0.092 4.090 4.170 0.019 0.000 0.241 840 I C 2.763 178.839 176.117 -0.069 0.000 1.085 840 I CA 1.416 62.657 61.300 -0.100 0.000 1.378 840 I CB -2.002 35.939 38.000 -0.099 0.000 1.076 840 I HN 0.343 nan 8.210 nan 0.000 0.415 841 G N 0.781 109.507 108.800 -0.124 0.000 2.475 841 G HA2 -0.217 3.755 3.960 0.019 0.000 0.220 841 G HA3 -0.217 3.755 3.960 0.019 0.000 0.220 841 G C 1.686 176.534 174.900 -0.087 0.000 1.125 841 G CA 1.024 46.051 45.100 -0.122 0.000 0.755 841 G HN 0.497 nan 8.290 nan 0.000 0.565 842 G N -0.325 108.425 108.800 -0.083 0.000 2.404 842 G HA2 -0.197 3.775 3.960 0.019 0.000 0.214 842 G HA3 -0.197 3.775 3.960 0.019 0.000 0.214 842 G C 1.603 176.497 174.900 -0.010 0.000 1.189 842 G CA 0.868 45.935 45.100 -0.054 0.000 0.789 842 G HN 0.410 nan 8.290 nan 0.000 0.533 843 Y N 0.947 121.196 120.300 -0.085 0.000 2.256 843 Y HA -0.122 4.440 4.550 0.019 0.000 0.288 843 Y C 2.753 178.622 175.900 -0.052 0.000 1.155 843 Y CA 1.425 59.489 58.100 -0.060 0.000 1.203 843 Y CB 0.060 38.485 38.460 -0.059 0.000 0.980 843 Y HN 0.049 nan 8.280 nan 0.000 0.530 844 V N -0.717 119.242 119.914 0.074 0.000 2.407 844 V HA -0.174 3.958 4.120 0.019 0.000 0.245 844 V C 2.528 178.588 176.094 -0.057 0.000 1.041 844 V CA 1.795 64.103 62.300 0.014 0.000 1.040 844 V CB -1.261 30.564 31.823 0.004 0.000 0.671 844 V HN 0.571 nan 8.190 nan 0.000 0.455 845 G N -0.520 108.245 108.800 -0.058 0.000 2.422 845 G HA2 -0.121 3.850 3.960 0.019 0.000 0.218 845 G HA3 -0.121 3.850 3.960 0.019 0.000 0.218 845 G C 1.599 176.463 174.900 -0.061 0.000 1.140 845 G CA 1.004 46.074 45.100 -0.050 0.000 0.775 845 G HN 0.593 nan 8.290 nan 0.000 0.545 846 A N 0.505 123.258 122.820 -0.110 0.000 2.030 846 A HA 0.604 4.936 4.320 0.019 0.000 0.215 846 A C 2.548 180.016 177.584 -0.193 0.000 1.164 846 A CA 1.399 53.357 52.037 -0.132 0.000 0.697 846 A CB -0.232 18.680 19.000 -0.147 0.000 0.827 846 A HN 0.567 nan 8.150 nan 0.000 0.457 847 A N -1.288 121.354 122.820 -0.296 0.000 2.119 847 A HA 0.056 4.387 4.320 0.019 0.000 0.216 847 A C 2.125 179.628 177.584 -0.135 0.000 1.152 847 A CA 1.952 53.807 52.037 -0.303 0.000 0.708 847 A CB -0.624 18.122 19.000 -0.424 0.000 0.805 847 A HN 0.413 nan 8.150 nan 0.000 0.460 848 T N -1.933 112.570 114.554 -0.086 0.000 3.039 848 T HA 0.042 4.404 4.350 0.019 0.000 0.250 848 T C 1.671 176.372 174.700 0.003 0.000 1.052 848 T CA 1.340 63.419 62.100 -0.036 0.000 1.125 848 T CB -0.142 68.710 68.868 -0.027 0.000 0.908 848 T HN 0.052 nan 8.240 nan 0.000 0.473 849 V N 1.157 121.076 119.914 0.008 0.000 2.407 849 V HA 0.144 4.276 4.120 0.019 0.000 0.245 849 V C 2.939 179.078 176.094 0.076 0.000 1.041 849 V CA 1.760 64.091 62.300 0.052 0.000 1.040 849 V CB -1.100 30.751 31.823 0.047 0.000 0.671 849 V HN 0.585 nan 8.190 nan 0.000 0.455 850 G N -0.556 108.264 108.800 0.033 0.000 2.559 850 G HA2 -0.061 3.910 3.960 0.019 0.000 0.216 850 G HA3 -0.061 3.910 3.960 0.019 0.000 0.216 850 G C 1.585 176.548 174.900 0.105 0.000 1.126 850 G CA 0.986 46.119 45.100 0.056 0.000 0.778 850 G HN 0.579 nan 8.290 nan 0.000 0.543 851 A N 0.960 123.824 122.820 0.074 0.000 1.878 851 A HA 0.514 4.846 4.320 0.019 0.000 0.213 851 A C 2.744 180.451 177.584 0.205 0.000 1.192 851 A CA 1.593 53.691 52.037 0.101 0.000 0.619 851 A CB -0.642 18.359 19.000 0.002 0.000 0.837 851 A HN 0.585 nan 8.150 nan 0.000 0.446 852 A N 0.063 122.974 122.820 0.151 0.000 1.972 852 A HA 0.183 4.514 4.320 0.019 0.000 0.219 852 A C 2.423 180.173 177.584 0.276 0.000 1.169 852 A CA 1.972 54.098 52.037 0.149 0.000 0.635 852 A CB -0.854 18.231 19.000 0.141 0.000 0.810 852 A HN 0.940 nan 8.150 nan 0.000 0.446 853 A N -1.354 121.668 122.820 0.337 0.000 1.855 853 A HA -0.154 4.178 4.320 0.019 0.000 0.215 853 A C 1.998 179.802 177.584 0.366 0.000 1.191 853 A CA 1.481 53.755 52.037 0.395 0.000 0.613 853 A CB -1.032 18.135 19.000 0.277 0.000 0.829 853 A HN 0.855 nan 8.150 nan 0.000 0.442 854 W N 0.034 121.429 121.300 0.158 0.000 2.325 854 W HA -0.225 4.446 4.660 0.020 0.000 0.299 854 W C 2.148 178.749 176.519 0.135 0.000 1.215 854 W CA 1.958 59.389 57.345 0.144 0.000 1.244 854 W CB -0.256 29.269 29.460 0.109 0.000 1.140 854 W HN 0.576 nan 8.180 nan 0.000 0.523 855 W N 0.438 121.821 121.300 0.138 0.000 2.354 855 W HA -0.275 4.396 4.660 0.019 0.000 0.315 855 W C 1.641 178.023 176.519 -0.228 0.000 1.206 855 W CA 1.848 59.102 57.345 -0.151 0.000 1.290 855 W CB -1.381 27.953 29.460 -0.210 0.000 1.152 855 W HN -0.054 nan 8.180 nan 0.000 0.489 856 F N 0.519 120.393 119.950 -0.127 0.000 2.146 856 F HA -0.232 4.306 4.527 0.019 0.000 0.298 856 F C 2.749 178.388 175.800 -0.268 0.000 1.096 856 F CA 1.961 59.834 58.000 -0.211 0.000 1.275 856 F CB -1.091 37.968 39.000 0.098 0.000 1.008 856 F HN -0.200 nan 8.300 nan 0.000 0.480 857 M N -2.136 117.477 119.600 0.022 0.000 2.206 857 M HA -0.098 4.394 4.480 0.019 0.000 0.249 857 M C 1.527 177.744 176.300 -0.137 0.000 1.125 857 M CA 1.374 56.674 55.300 0.001 0.000 1.166 857 M CB -1.066 31.609 32.600 0.126 0.000 1.266 857 M HN 0.029 nan 8.290 nan 0.000 0.445 858 Y N 0.830 120.889 120.300 -0.401 0.000 2.495 858 Y HA 0.458 5.020 4.550 0.019 0.000 0.293 858 Y C 0.284 175.702 175.900 -0.803 0.000 1.186 858 Y CA -0.702 57.118 58.100 -0.465 0.000 1.266 858 Y CB -0.048 38.254 38.460 -0.263 0.000 1.101 858 Y HN 0.125 nan 8.280 nan 0.000 0.517 859 A N -0.177 122.090 122.820 -0.920 0.000 2.304 859 A HA 0.343 4.675 4.320 0.019 0.000 0.323 859 A C 0.942 178.124 177.584 -0.671 0.000 1.195 859 A CA -0.528 50.870 52.037 -1.065 0.000 0.826 859 A CB 0.714 18.962 19.000 -1.254 0.000 1.184 859 A HN 0.520 nan 8.150 nan 0.000 0.496 860 E N 1.209 121.136 120.200 -0.454 0.000 2.072 860 E HA -0.156 4.206 4.350 0.019 0.000 0.191 860 E C 0.362 176.791 176.600 -0.285 0.000 0.985 860 E CA 1.381 57.602 56.400 -0.299 0.000 0.801 860 E CB 0.121 29.726 29.700 -0.159 0.000 0.750 860 E HN 0.737 nan 8.360 nan 0.000 0.452 861 D N 0.397 120.630 120.400 -0.278 0.000 2.277 861 D HA -0.015 4.637 4.640 0.019 0.000 0.208 861 D C 0.978 176.955 176.300 -0.539 0.000 0.962 861 D CA 0.415 54.286 54.000 -0.215 0.000 0.865 861 D CB -0.098 40.738 40.800 0.061 0.000 0.939 861 D HN 0.046 nan 8.370 nan 0.000 0.510 862 G N 2.068 110.173 108.800 -1.158 0.000 2.606 862 G HA2 0.276 4.247 3.960 0.019 0.000 0.252 862 G HA3 0.276 4.247 3.960 0.019 0.000 0.252 862 G C -2.356 172.133 174.900 -0.684 0.000 1.206 862 G CA -0.781 43.387 45.100 -1.554 0.000 0.861 862 G HN -0.060 nan 8.290 nan 0.000 0.561 863 P HA 0.102 nan 4.420 nan 0.000 0.269 863 P C 0.630 177.777 177.300 -0.255 0.000 1.215 863 P CA 0.090 63.045 63.100 -0.240 0.000 0.780 863 P CB 0.860 32.490 31.700 -0.116 0.000 0.898 864 G N 1.297 109.979 108.800 -0.196 0.000 3.474 864 G HA2 0.102 4.073 3.960 0.019 0.000 0.269 864 G HA3 0.102 4.073 3.960 0.019 0.000 0.269 864 G C 1.222 176.047 174.900 -0.126 0.000 1.339 864 G CA -0.270 44.715 45.100 -0.192 0.000 1.258 864 G HN 0.314 nan 8.290 nan 0.000 0.560 865 V N 0.591 120.453 119.914 -0.087 0.000 2.708 865 V HA -0.224 3.908 4.120 0.019 0.000 0.264 865 V C 1.808 177.868 176.094 -0.056 0.000 1.124 865 V CA 1.796 64.069 62.300 -0.045 0.000 1.138 865 V CB -1.423 30.402 31.823 0.003 0.000 0.706 865 V HN 0.687 nan 8.190 nan 0.000 0.493 866 T N -2.188 112.337 114.554 -0.048 0.000 0.541 866 T HA -0.269 4.093 4.350 0.019 0.000 0.774 866 T C -0.233 174.447 174.700 -0.034 0.000 0.992 866 T CA 0.833 62.915 62.100 -0.030 0.000 4.077 866 T CB -0.623 68.169 68.868 -0.126 0.000 2.303 866 T HN 0.788 nan 8.240 nan 0.000 0.398 867 Y N 0.832 121.120 120.300 -0.020 0.000 2.607 867 Y HA 0.356 4.918 4.550 0.019 0.000 0.348 867 Y C 1.445 177.277 175.900 -0.114 0.000 1.261 867 Y CA -0.154 57.874 58.100 -0.119 0.000 1.480 867 Y CB 0.053 38.373 38.460 -0.233 0.000 1.358 867 Y HN 0.846 nan 8.280 nan 0.000 0.630 868 H N 1.062 120.197 119.070 0.108 0.000 3.071 868 H HA -0.243 4.325 4.556 0.019 0.000 0.243 868 H C 1.155 176.442 175.328 -0.067 0.000 1.221 868 H CA 0.809 56.850 56.048 -0.011 0.000 1.109 868 H CB -1.488 28.218 29.762 -0.093 0.000 1.236 868 H HN 0.971 nan 8.280 nan 0.000 0.332 869 Q N 0.605 120.438 119.800 0.056 0.000 2.377 869 Q HA -0.265 4.087 4.340 0.019 0.000 0.234 869 Q C 0.788 176.787 176.000 -0.002 0.000 0.847 869 Q CA 1.304 57.123 55.803 0.027 0.000 1.280 869 Q CB -1.209 27.538 28.738 0.015 0.000 1.717 869 Q HN 0.754 nan 8.270 nan 0.000 0.579 870 L N -1.414 119.794 121.223 -0.025 0.000 4.245 870 L HA -0.397 3.955 4.340 0.019 0.000 0.438 870 L C 0.740 177.526 176.870 -0.140 0.000 1.121 870 L CA 1.699 56.493 54.840 -0.078 0.000 0.984 870 L CB -2.484 39.560 42.059 -0.025 0.000 1.873 870 L HN 0.637 nan 8.230 nan 0.000 1.054 871 T N -3.756 110.709 114.554 -0.148 0.000 5.994 871 T HA -0.168 4.193 4.350 0.019 0.000 0.274 871 T C 0.252 174.631 174.700 -0.534 0.000 2.193 871 T CA 1.643 63.545 62.100 -0.329 0.000 3.720 871 T CB -0.569 68.039 68.868 -0.435 0.000 0.819 871 T HN 0.674 nan 8.240 nan 0.000 0.963 872 H N -2.282 116.777 119.070 -0.020 0.000 2.863 872 H HA 0.488 5.055 4.556 0.019 0.000 0.274 872 H C 0.064 175.391 175.328 -0.002 0.000 1.457 872 H CA -0.254 55.801 56.048 0.012 0.000 1.151 872 H CB 0.065 29.828 29.762 0.000 0.000 1.844 872 H HN 0.106 nan 8.280 nan 0.000 0.562 873 F N 0.058 119.999 119.950 -0.015 0.000 2.717 873 F HA 0.178 4.717 4.527 0.019 0.000 0.297 873 F C 1.673 177.375 175.800 -0.163 0.000 1.113 873 F CA -0.001 57.802 58.000 -0.328 0.000 1.319 873 F CB 0.173 38.911 39.000 -0.438 0.000 1.097 873 F HN 0.149 nan 8.300 nan 0.000 0.595 874 M N 1.150 120.194 119.600 -0.928 0.000 2.201 874 M HA -0.319 4.172 4.480 0.019 0.000 0.251 874 M C 1.985 177.959 176.300 -0.544 0.000 1.090 874 M CA 1.576 56.316 55.300 -0.933 0.000 1.063 874 M CB -1.209 31.185 32.600 -0.344 0.000 1.360 874 M HN 0.395 nan 8.290 nan 0.000 0.401 875 Q N -0.774 118.895 119.800 -0.218 0.000 2.124 875 Q HA -0.249 4.103 4.340 0.019 0.000 0.215 875 Q C 1.950 177.814 176.000 -0.226 0.000 1.015 875 Q CA 1.546 57.347 55.803 -0.003 0.000 0.890 875 Q CB -1.395 27.445 28.738 0.170 0.000 0.966 875 Q HN 0.730 nan 8.270 nan 0.000 0.412 876 C N -1.357 117.839 119.300 -0.172 0.000 0.178 876 C HA -0.300 4.171 4.460 0.019 0.000 0.017 876 C C 1.716 176.508 174.990 -0.330 0.000 0.173 876 C CA 2.414 61.315 59.018 -0.195 0.000 0.499 876 C CB -1.680 25.954 27.740 -0.178 0.000 3.212 876 C HN 0.841 nan 8.230 nan 0.000 1.118 877 T N 0.612 114.845 114.554 -0.536 0.000 2.801 877 T HA 0.263 4.625 4.350 0.019 0.000 0.324 877 T C 0.156 174.564 174.700 -0.486 0.000 1.088 877 T CA 0.416 62.292 62.100 -0.374 0.000 0.975 877 T CB 0.033 68.826 68.868 -0.126 0.000 1.316 877 T HN 0.968 nan 8.240 nan 0.000 0.533 878 E N 1.825 121.948 120.200 -0.128 0.000 2.037 878 E HA -0.057 4.304 4.350 0.019 0.000 0.253 878 E C -0.524 176.136 176.600 0.101 0.000 1.265 878 E CA 0.291 56.675 56.400 -0.026 0.000 0.972 878 E CB -0.807 28.892 29.700 -0.001 0.000 1.054 878 E HN 0.708 nan 8.360 nan 0.000 0.432 879 D N 3.391 123.846 120.400 0.091 0.000 4.535 879 D HA -0.151 4.500 4.640 0.019 0.000 0.236 879 D C -1.569 174.897 176.300 0.275 0.000 1.142 879 D CA 0.568 54.639 54.000 0.119 0.000 1.102 879 D CB -0.898 39.869 40.800 -0.055 0.000 0.703 879 D HN 0.683 nan 8.370 nan 0.000 0.331 880 H N 1.504 120.581 119.070 0.011 0.000 2.949 880 H HA 0.301 4.869 4.556 0.019 0.000 0.356 880 H C -2.020 173.315 175.328 0.012 0.000 1.212 880 H CA -1.798 54.245 56.048 -0.008 0.000 1.136 880 H CB 2.028 31.774 29.762 -0.026 0.000 1.869 880 H HN 0.008 nan 8.280 nan 0.000 0.556 881 P HA -0.245 nan 4.420 nan 0.000 0.020 881 P C -0.151 177.027 177.300 -0.203 0.000 0.571 881 P CA 0.988 64.053 63.100 -0.058 0.000 1.026 881 P CB -1.620 30.119 31.700 0.065 0.000 1.881 882 H N 0.835 119.745 119.070 -0.267 0.000 3.463 882 H HA -0.150 4.418 4.556 0.019 0.000 0.183 882 H C -0.552 174.552 175.328 -0.373 0.000 0.663 882 H CA -0.015 55.898 56.048 -0.225 0.000 1.348 882 H CB -0.656 28.994 29.762 -0.187 0.000 1.500 882 H HN 0.054 nan 8.280 nan 0.000 0.566 883 F N 4.247 124.174 119.950 -0.037 0.000 2.359 883 F HA 0.108 4.646 4.527 0.019 0.000 0.370 883 F C 0.574 176.317 175.800 -0.095 0.000 1.077 883 F CA -0.907 57.020 58.000 -0.123 0.000 1.136 883 F CB 0.902 39.876 39.000 -0.044 0.000 1.387 883 F HN 0.488 nan 8.300 nan 0.000 0.468 884 E N 1.893 122.064 120.200 -0.049 0.000 2.294 884 E HA -0.210 4.152 4.350 0.019 0.000 0.228 884 E C 0.934 177.607 176.600 0.122 0.000 1.253 884 E CA 0.581 56.981 56.400 -0.000 0.000 0.716 884 E CB -0.930 28.780 29.700 0.017 0.000 1.184 884 E HN 0.839 nan 8.360 nan 0.000 0.374 885 G N 1.193 110.168 108.800 0.292 0.000 2.529 885 G HA2 0.062 4.034 3.960 0.019 0.000 0.285 885 G HA3 0.062 4.034 3.960 0.019 0.000 0.285 885 G C 1.010 176.003 174.900 0.155 0.000 0.632 885 G CA 0.539 45.802 45.100 0.272 0.000 2.116 885 G HN 0.327 nan 8.290 nan 0.000 0.538 886 L N -0.139 121.135 121.223 0.085 0.000 2.433 886 L HA 0.455 4.806 4.340 0.019 0.000 0.200 886 L C 0.016 176.885 176.870 -0.001 0.000 1.059 886 L CA 0.772 55.634 54.840 0.037 0.000 0.835 886 L CB 0.507 42.576 42.059 0.018 0.000 1.076 886 L HN 0.117 nan 8.230 nan 0.000 0.481 887 D N -0.830 119.557 120.400 -0.021 0.000 2.362 887 D HA 0.294 4.946 4.640 0.019 0.000 0.247 887 D C 0.494 176.739 176.300 -0.091 0.000 1.050 887 D CA 0.112 54.075 54.000 -0.062 0.000 0.839 887 D CB 1.846 42.594 40.800 -0.088 0.000 1.283 887 D HN 0.356 nan 8.370 nan 0.000 0.477 888 C N 0.824 120.068 119.300 -0.094 0.000 5.277 888 C HA 0.145 4.617 4.460 0.019 0.000 0.288 888 C C 1.969 176.856 174.990 -0.172 0.000 1.336 888 C CA 0.152 59.114 59.018 -0.093 0.000 1.801 888 C CB -0.527 27.177 27.740 -0.059 0.000 2.096 888 C HN 0.703 nan 8.230 nan 0.000 0.493 889 E N 1.235 121.351 120.200 -0.139 0.000 2.400 889 E HA 0.004 4.365 4.350 0.019 0.000 0.195 889 E C 1.935 178.384 176.600 -0.252 0.000 1.012 889 E CA 0.726 57.057 56.400 -0.115 0.000 0.875 889 E CB -0.129 29.571 29.700 -0.001 0.000 0.859 889 E HN 0.716 nan 8.360 nan 0.000 0.498 890 I N -0.252 120.156 120.570 -0.270 0.000 2.499 890 I HA -0.355 3.826 4.170 0.019 0.000 0.248 890 I C 0.462 176.624 176.117 0.076 0.000 0.945 890 I CA 1.332 62.570 61.300 -0.104 0.000 1.309 890 I CB -1.535 36.416 38.000 -0.082 0.000 0.994 890 I HN -0.122 nan 8.210 nan 0.000 0.434 891 F N 2.258 122.348 119.950 0.234 0.000 2.607 891 F HA 0.329 4.867 4.527 0.019 0.000 0.374 891 F C 1.556 177.455 175.800 0.165 0.000 1.104 891 F CA 0.339 58.470 58.000 0.218 0.000 1.296 891 F CB -0.372 38.702 39.000 0.123 0.000 1.085 891 F HN 0.281 nan 8.300 nan 0.000 0.584 892 E N -0.119 120.270 120.200 0.315 0.000 4.223 892 E HA -0.201 4.161 4.350 0.019 0.000 0.379 892 E C -0.007 176.658 176.600 0.108 0.000 0.610 892 E CA 0.750 57.248 56.400 0.163 0.000 1.397 892 E CB -1.369 28.403 29.700 0.121 0.000 1.803 892 E HN 0.934 nan 8.360 nan 0.000 0.385 893 A N 0.674 123.577 122.820 0.138 0.000 2.524 893 A HA 0.349 4.681 4.320 0.019 0.000 0.250 893 A C -1.334 176.218 177.584 -0.053 0.000 1.078 893 A CA -0.190 51.876 52.037 0.049 0.000 0.761 893 A CB 0.242 19.306 19.000 0.107 0.000 1.012 893 A HN 0.141 nan 8.150 nan 0.000 0.500 894 P HA -0.162 nan 4.420 nan 0.000 0.218 894 P C 0.969 178.071 177.300 -0.330 0.000 1.148 894 P CA 1.404 64.403 63.100 -0.167 0.000 0.822 894 P CB 0.238 31.848 31.700 -0.150 0.000 0.784 895 E N 0.027 119.919 120.200 -0.512 0.000 2.048 895 E HA -0.192 4.170 4.350 0.019 0.000 0.202 895 E C -0.402 175.518 176.600 -1.133 0.000 1.021 895 E CA 2.339 58.139 56.400 -0.999 0.000 0.825 895 E CB -2.225 26.472 29.700 -1.672 0.000 0.756 895 E HN 0.435 nan 8.360 nan 0.000 0.454 896 P HA -0.170 nan 4.420 nan 0.000 0.216 896 P C 1.260 178.361 177.300 -0.331 0.000 1.150 896 P CA 1.635 64.283 63.100 -0.753 0.000 0.837 896 P CB -0.010 31.236 31.700 -0.756 0.000 0.786 897 M N -0.438 119.013 119.600 -0.248 0.000 2.160 897 M HA -0.047 4.444 4.480 0.019 0.000 0.264 897 M C 2.036 178.258 176.300 -0.129 0.000 1.073 897 M CA 2.310 57.541 55.300 -0.114 0.000 1.142 897 M CB -1.370 31.195 32.600 -0.060 0.000 1.358 897 M HN -0.027 nan 8.290 nan 0.000 0.422 898 T N -1.155 113.280 114.554 -0.198 0.000 3.113 898 T HA -0.027 4.334 4.350 0.019 0.000 0.263 898 T C 1.497 176.057 174.700 -0.233 0.000 1.143 898 T CA 0.556 62.541 62.100 -0.192 0.000 1.090 898 T CB -0.203 68.522 68.868 -0.239 0.000 0.922 898 T HN 0.151 nan 8.240 nan 0.000 0.521 899 M N 2.455 121.896 119.600 -0.264 0.000 2.099 899 M HA 0.291 4.783 4.480 0.019 0.000 0.262 899 M C 2.442 178.656 176.300 -0.144 0.000 1.067 899 M CA 1.390 56.557 55.300 -0.223 0.000 1.124 899 M CB -0.929 31.573 32.600 -0.163 0.000 1.353 899 M HN 0.288 nan 8.290 nan 0.000 0.410 900 A N -0.361 122.404 122.820 -0.093 0.000 1.898 900 A HA -0.086 4.246 4.320 0.019 0.000 0.216 900 A C 2.107 179.671 177.584 -0.035 0.000 1.181 900 A CA 1.585 53.594 52.037 -0.046 0.000 0.620 900 A CB -1.221 17.771 19.000 -0.013 0.000 0.819 900 A HN 0.551 nan 8.150 nan 0.000 0.442 901 L N -0.242 120.970 121.223 -0.017 0.000 2.187 901 L HA -0.111 4.241 4.340 0.019 0.000 0.213 901 L C 2.316 179.193 176.870 0.012 0.000 1.100 901 L CA 2.391 57.252 54.840 0.035 0.000 0.765 901 L CB -0.375 41.743 42.059 0.098 0.000 0.904 901 L HN 0.261 nan 8.230 nan 0.000 0.437 902 S N -2.004 113.687 115.700 -0.016 0.000 2.458 902 S HA 0.008 4.490 4.470 0.019 0.000 0.223 902 S C 1.805 176.366 174.600 -0.066 0.000 1.019 902 S CA 0.819 58.998 58.200 -0.035 0.000 0.937 902 S CB 0.070 63.109 63.200 -0.267 0.000 0.788 902 S HN 0.295 nan 8.310 nan 0.000 0.511 903 V N 1.652 121.521 119.914 -0.075 0.000 2.548 903 V HA -0.067 4.064 4.120 0.019 0.000 0.249 903 V C 2.149 178.238 176.094 -0.008 0.000 1.055 903 V CA 1.121 63.402 62.300 -0.032 0.000 1.065 903 V CB -0.392 31.401 31.823 -0.049 0.000 0.681 903 V HN 0.337 nan 8.190 nan 0.000 0.462 904 L N -0.378 120.830 121.223 -0.025 0.000 2.027 904 L HA -0.073 4.279 4.340 0.019 0.000 0.206 904 L C 2.375 179.225 176.870 -0.033 0.000 1.074 904 L CA 1.787 56.611 54.840 -0.026 0.000 0.745 904 L CB -0.543 41.501 42.059 -0.027 0.000 0.898 904 L HN 0.118 nan 8.230 nan 0.000 0.433 905 V N -0.954 118.919 119.914 -0.069 0.000 2.261 905 V HA -0.315 3.817 4.120 0.019 0.000 0.246 905 V C 2.442 178.539 176.094 0.006 0.000 1.047 905 V CA 2.280 64.524 62.300 -0.093 0.000 1.015 905 V CB -1.004 30.642 31.823 -0.295 0.000 0.642 905 V HN 0.494 nan 8.190 nan 0.000 0.446 906 T N -0.087 114.508 114.554 0.069 0.000 2.720 906 T HA -0.181 4.181 4.350 0.019 0.000 0.268 906 T C 1.865 176.625 174.700 0.101 0.000 1.037 906 T CA 1.975 64.163 62.100 0.146 0.000 1.144 906 T CB -0.296 68.718 68.868 0.245 0.000 0.864 906 T HN 0.386 nan 8.240 nan 0.000 0.444 907 I N 0.503 121.119 120.570 0.076 0.000 2.439 907 I HA -0.105 4.077 4.170 0.019 0.000 0.251 907 I C 2.435 178.594 176.117 0.070 0.000 1.139 907 I CA 1.296 62.643 61.300 0.078 0.000 1.438 907 I CB -0.061 37.990 38.000 0.085 0.000 1.085 907 I HN 0.302 nan 8.210 nan 0.000 0.427 908 E N 0.075 120.309 120.200 0.057 0.000 2.072 908 E HA -0.255 4.107 4.350 0.019 0.000 0.191 908 E C 1.995 178.709 176.600 0.190 0.000 0.985 908 E CA 1.211 57.666 56.400 0.091 0.000 0.801 908 E CB -0.107 29.607 29.700 0.023 0.000 0.750 908 E HN 0.351 nan 8.360 nan 0.000 0.452 909 M N 0.054 119.720 119.600 0.110 0.000 2.539 909 M HA -0.112 4.380 4.480 0.019 0.000 0.261 909 M C 1.766 178.092 176.300 0.044 0.000 1.069 909 M CA 0.897 56.235 55.300 0.063 0.000 1.081 909 M CB -0.084 32.541 32.600 0.043 0.000 1.412 909 M HN 0.169 nan 8.290 nan 0.000 0.482 910 C N 0.460 119.798 119.300 0.064 0.000 2.522 910 C HA 0.028 4.499 4.460 0.019 0.000 0.280 910 C C 2.374 177.385 174.990 0.036 0.000 1.303 910 C CA 0.999 60.043 59.018 0.043 0.000 1.709 910 C CB -1.010 26.758 27.740 0.047 0.000 2.071 910 C HN 0.692 nan 8.230 nan 0.000 0.492 911 N N 1.977 120.719 118.700 0.070 0.000 2.463 911 N HA 0.028 4.780 4.740 0.019 0.000 0.181 911 N C 1.434 177.009 175.510 0.108 0.000 1.078 911 N CA 1.293 54.386 53.050 0.072 0.000 0.902 911 N CB -0.335 38.186 38.487 0.056 0.000 0.970 911 N HN 0.432 nan 8.380 nan 0.000 0.451 912 A N 1.577 124.447 122.820 0.082 0.000 1.933 912 A HA 0.003 4.335 4.320 0.019 0.000 0.218 912 A C 2.382 179.886 177.584 -0.132 0.000 1.175 912 A CA 0.790 52.693 52.037 -0.223 0.000 0.628 912 A CB -0.720 17.967 19.000 -0.520 0.000 0.814 912 A HN 0.309 nan 8.150 nan 0.000 0.444 913 L N -0.164 121.019 121.223 -0.066 0.000 2.191 913 L HA -0.155 4.197 4.340 0.019 0.000 0.212 913 L C 1.606 178.451 176.870 -0.041 0.000 1.103 913 L CA 0.898 55.706 54.840 -0.054 0.000 0.769 913 L CB -0.528 41.511 42.059 -0.034 0.000 0.908 913 L HN 0.422 nan 8.230 nan 0.000 0.438 914 N N -0.785 117.905 118.700 -0.018 0.000 2.467 914 N HA -0.034 4.717 4.740 0.019 0.000 0.184 914 N C 1.121 176.636 175.510 0.009 0.000 1.106 914 N CA 0.437 53.485 53.050 -0.003 0.000 0.892 914 N CB 0.307 38.802 38.487 0.013 0.000 0.969 914 N HN 0.131 nan 8.380 nan 0.000 0.454 915 S N 0.747 116.445 115.700 -0.004 0.000 2.685 915 S HA 0.256 4.738 4.470 0.019 0.000 0.240 915 S C 1.673 176.267 174.600 -0.010 0.000 0.967 915 S CA -0.189 58.014 58.200 0.005 0.000 1.009 915 S CB -0.038 63.163 63.200 0.000 0.000 0.776 915 S HN 0.254 nan 8.310 nan 0.000 0.467 916 L N 0.181 121.393 121.223 -0.018 0.000 2.270 916 L HA 0.215 4.567 4.340 0.019 0.000 0.210 916 L C 1.121 177.988 176.870 -0.005 0.000 1.104 916 L CA 0.428 55.257 54.840 -0.019 0.000 0.804 916 L CB 0.088 42.119 42.059 -0.048 0.000 0.937 916 L HN 0.270 nan 8.230 nan 0.000 0.450 917 S N -1.548 114.155 115.700 0.005 0.000 2.537 917 S HA 0.180 4.661 4.470 0.019 0.000 0.270 917 S C 0.264 174.889 174.600 0.041 0.000 1.142 917 S CA -0.679 57.531 58.200 0.016 0.000 0.870 917 S CB 1.986 65.187 63.200 0.001 0.000 1.112 917 S HN 0.189 nan 8.310 nan 0.000 0.466 918 E N 2.684 122.917 120.200 0.055 0.000 2.012 918 E HA -0.065 4.297 4.350 0.019 0.000 0.197 918 E C 0.579 177.241 176.600 0.103 0.000 1.007 918 E CA 2.148 58.602 56.400 0.092 0.000 0.816 918 E CB 0.031 29.787 29.700 0.094 0.000 0.762 918 E HN 0.626 nan 8.360 nan 0.000 0.451 919 N N -0.260 118.479 118.700 0.065 0.000 2.200 919 N HA 0.082 4.833 4.740 0.019 0.000 0.224 919 N C -0.856 174.671 175.510 0.027 0.000 1.179 919 N CA -0.027 53.054 53.050 0.053 0.000 0.877 919 N CB 0.892 39.376 38.487 -0.005 0.000 1.072 919 N HN 0.088 nan 8.380 nan 0.000 0.519 920 Q N 0.320 120.133 119.800 0.021 0.000 2.230 920 Q HA 0.378 4.730 4.340 0.019 0.000 0.248 920 Q C -0.038 175.967 176.000 0.010 0.000 0.915 920 Q CA -0.053 55.754 55.803 0.006 0.000 0.900 920 Q CB 1.548 30.279 28.738 -0.012 0.000 1.229 920 Q HN 0.041 nan 8.270 nan 0.000 0.439 921 S N 1.462 117.166 115.700 0.007 0.000 2.601 921 S HA 0.230 4.712 4.470 0.019 0.000 0.271 921 S C 1.551 176.130 174.600 -0.035 0.000 1.305 921 S CA -0.520 57.685 58.200 0.009 0.000 1.022 921 S CB 0.564 63.780 63.200 0.027 0.000 0.940 921 S HN 0.509 nan 8.310 nan 0.000 0.525 922 L N 1.725 122.922 121.223 -0.043 0.000 2.353 922 L HA -0.168 4.183 4.340 0.019 0.000 0.220 922 L C 2.423 179.223 176.870 -0.118 0.000 1.133 922 L CA 0.943 55.726 54.840 -0.095 0.000 0.798 922 L CB -0.531 41.481 42.059 -0.078 0.000 0.922 922 L HN 0.778 nan 8.230 nan 0.000 0.445 923 M N -1.374 118.189 119.600 -0.062 0.000 2.132 923 M HA -0.148 4.343 4.480 0.019 0.000 0.263 923 M C 2.128 178.392 176.300 -0.060 0.000 1.065 923 M CA 1.742 57.015 55.300 -0.046 0.000 1.122 923 M CB -0.401 32.197 32.600 -0.005 0.000 1.365 923 M HN -0.027 nan 8.290 nan 0.000 0.411 924 R N -0.115 120.351 120.500 -0.056 0.000 2.189 924 R HA 0.292 4.644 4.340 0.019 0.000 0.203 924 R C 0.379 176.619 176.300 -0.101 0.000 1.012 924 R CA 0.385 56.452 56.100 -0.055 0.000 1.015 924 R CB 0.304 30.587 30.300 -0.028 0.000 0.938 924 R HN 0.379 nan 8.270 nan 0.000 0.472 925 M N 1.690 121.209 119.600 -0.135 0.000 2.634 925 M HA 0.332 4.824 4.480 0.019 0.000 0.211 925 M C -2.534 173.584 176.300 -0.304 0.000 1.019 925 M CA -2.270 52.922 55.300 -0.180 0.000 0.834 925 M CB 1.180 33.713 32.600 -0.111 0.000 1.376 925 M HN -0.272 nan 8.290 nan 0.000 0.465 926 P HA 0.059 nan 4.420 nan 0.000 0.270 926 P C -1.872 175.004 177.300 -0.707 0.000 1.221 926 P CA -0.551 62.003 63.100 -0.909 0.000 0.788 926 P CB -0.069 30.370 31.700 -2.101 0.000 0.904 927 P HA -0.113 nan 4.420 nan 0.000 0.220 927 P C 0.591 177.845 177.300 -0.076 0.000 1.148 927 P CA 1.248 64.232 63.100 -0.193 0.000 0.803 927 P CB -0.412 31.273 31.700 -0.024 0.000 0.782 928 W N -0.429 120.858 121.300 -0.021 0.000 3.180 928 W HA 0.158 4.830 4.660 0.019 0.000 0.254 928 W C 1.262 177.773 176.519 -0.014 0.000 1.318 928 W CA 0.051 57.378 57.345 -0.029 0.000 1.608 928 W CB -1.781 27.657 29.460 -0.036 0.000 1.124 928 W HN -0.198 nan 8.180 nan 0.000 0.694 929 V N -0.509 119.331 119.914 -0.122 0.000 2.548 929 V HA -0.086 4.045 4.120 0.019 0.000 0.249 929 V C 0.634 176.755 176.094 0.044 0.000 1.055 929 V CA 1.529 63.804 62.300 -0.042 0.000 1.065 929 V CB -0.729 31.026 31.823 -0.113 0.000 0.681 929 V HN 0.281 nan 8.190 nan 0.000 0.462 930 N N 0.522 119.247 118.700 0.042 0.000 2.518 930 N HA 0.345 5.097 4.740 0.019 0.000 0.254 930 N C 0.448 176.001 175.510 0.070 0.000 0.979 930 N CA -0.574 52.536 53.050 0.101 0.000 0.930 930 N CB 1.327 39.875 38.487 0.103 0.000 1.152 930 N HN 0.111 nan 8.380 nan 0.000 0.505 931 I N 1.800 122.386 120.570 0.026 0.000 2.333 931 I HA -0.070 4.112 4.170 0.019 0.000 0.246 931 I C 1.496 177.513 176.117 -0.165 0.000 1.106 931 I CA 0.663 61.896 61.300 -0.112 0.000 1.411 931 I CB -1.036 36.812 38.000 -0.253 0.000 1.082 931 I HN 0.546 nan 8.210 nan 0.000 0.420 932 W N 1.009 122.259 121.300 -0.084 0.000 2.325 932 W HA -0.242 4.429 4.660 0.020 0.000 0.299 932 W C 2.504 178.938 176.519 -0.142 0.000 1.215 932 W CA 0.683 57.927 57.345 -0.169 0.000 1.244 932 W CB -0.810 28.476 29.460 -0.291 0.000 1.140 932 W HN 0.098 nan 8.180 nan 0.000 0.523 933 L N 0.170 121.460 121.223 0.111 0.000 2.017 933 L HA -0.157 4.195 4.340 0.019 0.000 0.208 933 L C 2.168 179.025 176.870 -0.022 0.000 1.073 933 L CA 1.865 56.718 54.840 0.021 0.000 0.745 933 L CB -1.055 41.004 42.059 0.000 0.000 0.894 933 L HN -0.000 nan 8.230 nan 0.000 0.432 934 L N -0.825 120.382 121.223 -0.026 0.000 2.046 934 L HA -0.140 4.212 4.340 0.019 0.000 0.208 934 L C 2.528 179.361 176.870 -0.061 0.000 1.077 934 L CA 1.311 56.127 54.840 -0.039 0.000 0.747 934 L CB -1.558 40.486 42.059 -0.025 0.000 0.896 934 L HN 0.482 nan 8.230 nan 0.000 0.432 935 G N -0.710 108.038 108.800 -0.087 0.000 2.422 935 G HA2 -0.222 3.750 3.960 0.019 0.000 0.218 935 G HA3 -0.222 3.750 3.960 0.019 0.000 0.218 935 G C 1.722 176.584 174.900 -0.064 0.000 1.146 935 G CA 0.927 45.968 45.100 -0.098 0.000 0.769 935 G HN 0.371 nan 8.290 nan 0.000 0.547 936 S N 0.391 116.065 115.700 -0.044 0.000 2.402 936 S HA 0.023 4.505 4.470 0.019 0.000 0.229 936 S C 2.233 176.808 174.600 -0.041 0.000 1.021 936 S CA 0.576 58.754 58.200 -0.036 0.000 0.974 936 S CB -0.132 63.049 63.200 -0.031 0.000 0.800 936 S HN 0.384 nan 8.310 nan 0.000 0.484 937 I N 1.028 121.571 120.570 -0.045 0.000 2.202 937 I HA -0.224 3.958 4.170 0.019 0.000 0.242 937 I C 2.355 178.452 176.117 -0.033 0.000 1.091 937 I CA 0.807 62.084 61.300 -0.038 0.000 1.368 937 I CB -0.534 37.443 38.000 -0.039 0.000 1.058 937 I HN 0.352 nan 8.210 nan 0.000 0.410 938 C N 0.402 119.672 119.300 -0.050 0.000 2.413 938 C HA -0.189 4.283 4.460 0.019 0.000 0.276 938 C C 2.749 177.714 174.990 -0.042 0.000 1.236 938 C CA 0.535 59.515 59.018 -0.064 0.000 1.735 938 C CB -1.038 26.653 27.740 -0.081 0.000 2.031 938 C HN 0.496 nan 8.230 nan 0.000 0.474 939 L N 0.877 122.080 121.223 -0.033 0.000 2.187 939 L HA -0.121 4.230 4.340 0.019 0.000 0.213 939 L C 2.437 179.315 176.870 0.014 0.000 1.100 939 L CA 1.873 56.706 54.840 -0.011 0.000 0.765 939 L CB -0.726 41.322 42.059 -0.018 0.000 0.904 939 L HN 0.274 nan 8.230 nan 0.000 0.437 940 S N -1.421 114.282 115.700 0.005 0.000 2.336 940 S HA -0.068 4.414 4.470 0.019 0.000 0.216 940 S C 1.874 176.552 174.600 0.129 0.000 1.032 940 S CA 1.260 59.471 58.200 0.018 0.000 0.973 940 S CB -0.123 63.064 63.200 -0.022 0.000 0.888 940 S HN 0.345 nan 8.310 nan 0.000 0.455 941 M N 1.587 121.257 119.600 0.116 0.000 2.082 941 M HA -0.095 4.397 4.480 0.019 0.000 0.258 941 M C 2.473 178.901 176.300 0.214 0.000 1.069 941 M CA 1.476 56.891 55.300 0.192 0.000 1.102 941 M CB -1.955 30.654 32.600 0.015 0.000 1.336 941 M HN 0.385 nan 8.290 nan 0.000 0.404 942 S N 0.469 116.204 115.700 0.058 0.000 2.353 942 S HA -0.143 4.338 4.470 0.019 0.000 0.222 942 S C 1.929 176.657 174.600 0.213 0.000 1.035 942 S CA 1.139 59.369 58.200 0.050 0.000 1.025 942 S CB -0.177 63.017 63.200 -0.010 0.000 0.902 942 S HN 0.297 nan 8.310 nan 0.000 0.440 943 L N 1.286 122.650 121.223 0.236 0.000 2.079 943 L HA -0.014 4.338 4.340 0.019 0.000 0.210 943 L C 2.340 179.549 176.870 0.565 0.000 1.081 943 L CA 2.052 57.099 54.840 0.345 0.000 0.752 943 L CB -1.381 40.840 42.059 0.269 0.000 0.896 943 L HN 0.546 nan 8.230 nan 0.000 0.433 944 H N -2.280 117.095 119.070 0.507 0.000 2.462 944 H HA -0.092 4.476 4.556 0.019 0.000 0.292 944 H C 1.899 177.505 175.328 0.463 0.000 1.049 944 H CA 1.188 57.585 56.048 0.580 0.000 1.334 944 H CB 0.052 30.158 29.762 0.573 0.000 1.404 944 H HN 0.187 nan 8.280 nan 0.000 0.544 945 F N -0.467 119.605 119.950 0.203 0.000 2.098 945 F HA -0.071 4.468 4.527 0.019 0.000 0.294 945 F C 2.258 178.167 175.800 0.181 0.000 1.107 945 F CA 0.659 58.788 58.000 0.215 0.000 1.234 945 F CB -0.907 38.182 39.000 0.149 0.000 1.002 945 F HN 0.161 nan 8.300 nan 0.000 0.472 946 L N 0.243 121.657 121.223 0.319 0.000 2.034 946 L HA -0.294 4.058 4.340 0.019 0.000 0.217 946 L C 2.360 179.247 176.870 0.029 0.000 1.077 946 L CA 1.664 56.610 54.840 0.178 0.000 0.769 946 L CB -0.807 41.351 42.059 0.165 0.000 0.890 946 L HN 0.188 nan 8.230 nan 0.000 0.435 947 I N -1.834 118.662 120.570 -0.123 0.000 2.361 947 I HA -0.305 3.876 4.170 0.019 0.000 0.251 947 I C 2.037 177.930 176.117 -0.374 0.000 1.133 947 I CA 1.012 62.066 61.300 -0.410 0.000 1.413 947 I CB 0.144 37.536 38.000 -1.014 0.000 1.073 947 I HN 0.248 nan 8.210 nan 0.000 0.424 948 L N -0.559 120.419 121.223 -0.409 0.000 2.131 948 L HA -0.132 4.219 4.340 0.019 0.000 0.206 948 L C 1.421 177.894 176.870 -0.662 0.000 1.087 948 L CA 1.838 56.287 54.840 -0.651 0.000 0.767 948 L CB -0.566 40.895 42.059 -0.997 0.000 0.917 948 L HN 0.230 nan 8.230 nan 0.000 0.441 949 Y N -2.720 117.528 120.300 -0.086 0.000 2.500 949 Y HA 0.315 4.877 4.550 0.019 0.000 0.246 949 Y C 0.394 176.288 175.900 -0.011 0.000 1.146 949 Y CA -0.655 57.422 58.100 -0.038 0.000 1.230 949 Y CB 0.378 38.832 38.460 -0.010 0.000 1.214 949 Y HN -0.325 nan 8.280 nan 0.000 0.526 950 V N 1.832 121.799 119.914 0.088 0.000 2.320 950 V HA 0.041 4.173 4.120 0.019 0.000 0.265 950 V C 0.633 176.747 176.094 0.034 0.000 1.048 950 V CA -0.530 61.811 62.300 0.068 0.000 0.865 950 V CB 0.694 32.557 31.823 0.067 0.000 1.043 950 V HN 0.279 nan 8.190 nan 0.000 0.474 951 D N 5.981 126.401 120.400 0.033 0.000 2.200 951 D HA -0.174 4.478 4.640 0.019 0.000 0.192 951 D C -0.044 176.261 176.300 0.009 0.000 1.008 951 D CA 2.107 56.116 54.000 0.014 0.000 0.872 951 D CB -0.566 40.246 40.800 0.019 0.000 0.923 951 D HN 0.493 nan 8.370 nan 0.000 0.447 952 P HA -0.097 nan 4.420 nan 0.000 0.218 952 P C 1.761 179.077 177.300 0.027 0.000 1.149 952 P CA 0.632 63.744 63.100 0.019 0.000 0.817 952 P CB 0.098 31.815 31.700 0.027 0.000 0.785 953 L N 0.399 121.649 121.223 0.045 0.000 1.994 953 L HA -0.032 4.320 4.340 0.019 0.000 0.208 953 L C -0.380 176.550 176.870 0.100 0.000 1.071 953 L CA 2.464 57.365 54.840 0.102 0.000 0.745 953 L CB -2.767 39.337 42.059 0.076 0.000 0.892 953 L HN 0.034 nan 8.230 nan 0.000 0.431 954 P HA -0.203 nan 4.420 nan 0.000 0.220 954 P C 2.045 179.328 177.300 -0.029 0.000 1.144 954 P CA 1.364 64.432 63.100 -0.053 0.000 0.800 954 P CB -0.116 31.513 31.700 -0.119 0.000 0.772 955 M N -1.053 118.534 119.600 -0.021 0.000 2.123 955 M HA -0.112 4.380 4.480 0.019 0.000 0.263 955 M C 1.864 178.130 176.300 -0.056 0.000 1.069 955 M CA 1.944 57.224 55.300 -0.033 0.000 1.133 955 M CB -0.565 32.019 32.600 -0.027 0.000 1.356 955 M HN -0.136 nan 8.290 nan 0.000 0.415 956 I N -0.323 120.196 120.570 -0.084 0.000 2.286 956 I HA -0.285 3.897 4.170 0.019 0.000 0.248 956 I C 1.807 177.687 176.117 -0.395 0.000 1.115 956 I CA 1.306 62.460 61.300 -0.243 0.000 1.392 956 I CB -0.466 37.328 38.000 -0.343 0.000 1.065 956 I HN 0.177 nan 8.210 nan 0.000 0.418 957 F N 0.562 120.446 119.950 -0.110 0.000 2.138 957 F HA 0.193 4.731 4.527 0.019 0.000 0.283 957 F C 0.307 176.035 175.800 -0.121 0.000 1.100 957 F CA 0.633 58.548 58.000 -0.141 0.000 1.189 957 F CB 0.190 39.027 39.000 -0.273 0.000 1.060 957 F HN -0.206 nan 8.300 nan 0.000 0.492 958 K N 0.121 120.542 120.400 0.035 0.000 2.713 958 K HA 0.154 4.486 4.320 0.019 0.000 0.323 958 K C -1.015 175.522 176.600 -0.105 0.000 1.293 958 K CA -0.298 55.964 56.287 -0.042 0.000 1.125 958 K CB -0.453 32.024 32.500 -0.038 0.000 1.399 958 K HN 0.136 nan 8.250 nan 0.000 0.438 959 L N 2.001 123.155 121.223 -0.115 0.000 4.470 959 L HA -0.304 4.047 4.340 0.019 0.000 0.561 959 L C 1.579 178.309 176.870 -0.234 0.000 1.168 959 L CA 0.909 55.654 54.840 -0.158 0.000 0.520 959 L CB -0.148 41.830 42.059 -0.135 0.000 0.535 959 L HN 0.741 nan 8.230 nan 0.000 1.102 960 K N 2.593 122.831 120.400 -0.269 0.000 2.679 960 K HA 0.749 5.080 4.320 0.019 0.000 0.280 960 K C -0.221 176.189 176.600 -0.317 0.000 1.040 960 K CA -0.268 55.793 56.287 -0.376 0.000 1.002 960 K CB 0.512 32.726 32.500 -0.478 0.000 1.276 960 K HN 0.620 nan 8.250 nan 0.000 0.492 961 A N 0.285 122.932 122.820 -0.289 0.000 2.488 961 A HA 0.381 4.712 4.320 0.019 0.000 0.298 961 A C -0.818 176.760 177.584 -0.010 0.000 1.044 961 A CA -1.028 50.885 52.037 -0.206 0.000 0.693 961 A CB 0.907 19.700 19.000 -0.345 0.000 1.272 961 A HN 0.617 nan 8.150 nan 0.000 0.402 962 L N 2.987 124.239 121.223 0.049 0.000 2.745 962 L HA -0.059 4.292 4.340 0.019 0.000 0.273 962 L C 1.035 178.052 176.870 0.244 0.000 1.156 962 L CA -0.356 54.575 54.840 0.151 0.000 0.982 962 L CB -0.330 41.820 42.059 0.152 0.000 1.295 962 L HN 0.830 nan 8.230 nan 0.000 0.483 963 D N 2.729 123.328 120.400 0.332 0.000 2.421 963 D HA -0.257 4.395 4.640 0.019 0.000 0.195 963 D C 1.957 178.481 176.300 0.374 0.000 1.022 963 D CA 1.891 56.140 54.000 0.415 0.000 0.871 963 D CB 0.081 40.989 40.800 0.179 0.000 1.026 963 D HN 0.532 nan 8.370 nan 0.000 0.462 964 L N -0.085 121.275 121.223 0.228 0.000 2.017 964 L HA -0.172 4.180 4.340 0.019 0.000 0.208 964 L C 2.512 179.503 176.870 0.201 0.000 1.073 964 L CA 1.865 56.815 54.840 0.184 0.000 0.745 964 L CB -0.605 41.531 42.059 0.128 0.000 0.894 964 L HN 0.192 nan 8.230 nan 0.000 0.432 965 T N -5.315 109.360 114.554 0.200 0.000 2.990 965 T HA 0.060 4.422 4.350 0.019 0.000 0.249 965 T C 1.747 176.565 174.700 0.198 0.000 1.039 965 T CA -0.291 61.925 62.100 0.193 0.000 1.036 965 T CB 0.209 69.193 68.868 0.193 0.000 0.994 965 T HN 0.128 nan 8.240 nan 0.000 0.489 966 Q N 0.604 120.518 119.800 0.190 0.000 2.049 966 Q HA 0.006 4.358 4.340 0.019 0.000 0.198 966 Q C 1.886 177.881 176.000 -0.009 0.000 0.971 966 Q CA 1.190 57.050 55.803 0.095 0.000 0.833 966 Q CB -0.436 28.305 28.738 0.005 0.000 0.896 966 Q HN 0.646 nan 8.270 nan 0.000 0.434 967 W N 1.444 122.788 121.300 0.072 0.000 2.338 967 W HA -0.121 4.551 4.660 0.019 0.000 0.304 967 W C 2.198 178.745 176.519 0.047 0.000 1.212 967 W CA 0.543 57.931 57.345 0.072 0.000 1.264 967 W CB -0.405 29.123 29.460 0.113 0.000 1.142 967 W HN 0.092 nan 8.180 nan 0.000 0.512 968 L N -0.736 120.647 121.223 0.267 0.000 2.081 968 L HA -0.293 4.059 4.340 0.019 0.000 0.212 968 L C 2.390 179.285 176.870 0.041 0.000 1.080 968 L CA 1.134 56.062 54.840 0.147 0.000 0.754 968 L CB -0.530 41.602 42.059 0.122 0.000 0.893 968 L HN 0.094 nan 8.230 nan 0.000 0.433 969 M N -1.031 118.537 119.600 -0.053 0.000 2.160 969 M HA -0.095 4.397 4.480 0.019 0.000 0.264 969 M C 2.096 178.278 176.300 -0.196 0.000 1.073 969 M CA 1.573 56.715 55.300 -0.263 0.000 1.142 969 M CB -0.310 31.918 32.600 -0.620 0.000 1.358 969 M HN -0.072 nan 8.290 nan 0.000 0.422 970 V N 0.381 120.219 119.914 -0.127 0.000 2.282 970 V HA -0.264 3.868 4.120 0.019 0.000 0.249 970 V C 2.333 178.451 176.094 0.040 0.000 1.057 970 V CA 1.844 64.100 62.300 -0.074 0.000 1.032 970 V CB -1.004 30.741 31.823 -0.131 0.000 0.645 970 V HN 0.532 nan 8.190 nan 0.000 0.447 971 L N -0.552 120.748 121.223 0.127 0.000 2.465 971 L HA -0.021 4.330 4.340 0.019 0.000 0.224 971 L C 2.078 178.989 176.870 0.070 0.000 1.145 971 L CA 1.742 56.666 54.840 0.140 0.000 0.834 971 L CB -0.561 41.614 42.059 0.192 0.000 0.944 971 L HN 0.183 nan 8.230 nan 0.000 0.451 972 K N -0.942 119.467 120.400 0.016 0.000 2.211 972 K HA 0.148 4.480 4.320 0.019 0.000 0.201 972 K C 1.857 178.457 176.600 0.001 0.000 1.052 972 K CA 0.865 57.148 56.287 -0.007 0.000 0.973 972 K CB 0.062 32.526 32.500 -0.059 0.000 0.766 972 K HN 0.332 nan 8.250 nan 0.000 0.466 973 I N -0.239 120.318 120.570 -0.022 0.000 2.584 973 I HA -0.126 4.056 4.170 0.019 0.000 0.255 973 I C 1.703 177.897 176.117 0.128 0.000 1.145 973 I CA 0.647 61.952 61.300 0.009 0.000 1.462 973 I CB 0.112 38.062 38.000 -0.083 0.000 1.102 973 I HN 0.018 nan 8.210 nan 0.000 0.433 974 S N 0.794 116.555 115.700 0.101 0.000 2.377 974 S HA -0.041 4.441 4.470 0.019 0.000 0.223 974 S C 1.906 176.576 174.600 0.117 0.000 1.030 974 S CA 0.648 58.930 58.200 0.136 0.000 0.970 974 S CB -0.219 63.045 63.200 0.106 0.000 0.830 974 S HN 0.189 nan 8.310 nan 0.000 0.473 975 L N 2.435 123.707 121.223 0.081 0.000 2.043 975 L HA -0.045 4.307 4.340 0.019 0.000 0.212 975 L C -1.163 175.705 176.870 -0.003 0.000 1.075 975 L CA 1.846 56.711 54.840 0.043 0.000 0.752 975 L CB -1.607 40.476 42.059 0.041 0.000 0.891 975 L HN 0.171 nan 8.230 nan 0.000 0.432 976 P HA -0.158 nan 4.420 nan 0.000 0.221 976 P C 2.104 179.202 177.300 -0.337 0.000 1.145 976 P CA 0.911 63.935 63.100 -0.126 0.000 0.795 976 P CB -0.052 31.617 31.700 -0.052 0.000 0.775 977 V N -0.488 119.216 119.914 -0.349 0.000 2.453 977 V HA -0.263 3.868 4.120 0.019 0.000 0.252 977 V C 2.023 178.000 176.094 -0.195 0.000 1.068 977 V CA 1.639 63.718 62.300 -0.369 0.000 1.070 977 V CB -0.851 30.913 31.823 -0.099 0.000 0.664 977 V HN 0.022 nan 8.190 nan 0.000 0.461 978 I N 0.163 120.665 120.570 -0.114 0.000 2.163 978 I HA -0.125 4.056 4.170 0.019 0.000 0.240 978 I C 2.626 178.696 176.117 -0.078 0.000 1.081 978 I CA 1.645 62.905 61.300 -0.068 0.000 1.353 978 I CB -1.100 36.879 38.000 -0.035 0.000 1.054 978 I HN 0.409 nan 8.210 nan 0.000 0.407 979 G N 0.924 109.667 108.800 -0.094 0.000 2.485 979 G HA2 -0.262 3.710 3.960 0.019 0.000 0.221 979 G HA3 -0.262 3.710 3.960 0.019 0.000 0.221 979 G C 1.611 176.457 174.900 -0.090 0.000 1.115 979 G CA 0.780 45.831 45.100 -0.081 0.000 0.751 979 G HN 0.258 nan 8.290 nan 0.000 0.567 980 L N 0.587 121.719 121.223 -0.152 0.000 2.034 980 L HA 0.177 4.528 4.340 0.019 0.000 0.203 980 L C 2.172 179.014 176.870 -0.047 0.000 1.074 980 L CA 2.427 57.187 54.840 -0.134 0.000 0.748 980 L CB -0.876 41.026 42.059 -0.262 0.000 0.905 980 L HN 0.199 nan 8.230 nan 0.000 0.439 981 D N -0.691 119.679 120.400 -0.051 0.000 2.133 981 D HA -0.288 4.364 4.640 0.019 0.000 0.195 981 D C 2.055 178.398 176.300 0.071 0.000 0.997 981 D CA 1.423 55.432 54.000 0.015 0.000 0.840 981 D CB 0.064 40.866 40.800 0.005 0.000 0.947 981 D HN 0.474 nan 8.370 nan 0.000 0.452 982 E N -0.654 119.572 120.200 0.043 0.000 2.204 982 E HA -0.109 4.253 4.350 0.019 0.000 0.195 982 E C 1.627 178.299 176.600 0.120 0.000 0.990 982 E CA 0.674 57.116 56.400 0.070 0.000 0.821 982 E CB 0.057 29.772 29.700 0.025 0.000 0.750 982 E HN 0.351 nan 8.360 nan 0.000 0.477 983 I N -0.117 120.514 120.570 0.101 0.000 2.703 983 I HA -0.095 4.086 4.170 0.019 0.000 0.259 983 I C 1.804 178.087 176.117 0.276 0.000 1.151 983 I CA 0.434 61.822 61.300 0.147 0.000 1.470 983 I CB -0.606 37.430 38.000 0.060 0.000 1.112 983 I HN 0.224 nan 8.210 nan 0.000 0.437 984 L N 1.019 122.389 121.223 0.245 0.000 2.156 984 L HA -0.086 4.266 4.340 0.019 0.000 0.208 984 L C 2.359 179.507 176.870 0.464 0.000 1.095 984 L CA 1.722 56.780 54.840 0.363 0.000 0.770 984 L CB -0.605 41.595 42.059 0.234 0.000 0.914 984 L HN 0.107 nan 8.230 nan 0.000 0.439 985 K N -1.858 118.735 120.400 0.323 0.000 2.155 985 K HA -0.167 4.165 4.320 0.019 0.000 0.203 985 K C 2.049 178.763 176.600 0.190 0.000 1.052 985 K CA 1.190 57.628 56.287 0.251 0.000 0.948 985 K CB -0.242 32.360 32.500 0.170 0.000 0.728 985 K HN 0.182 nan 8.250 nan 0.000 0.448 986 F N 1.911 121.921 119.950 0.099 0.000 2.134 986 F HA -0.154 4.385 4.527 0.020 0.000 0.299 986 F C 1.780 177.627 175.800 0.079 0.000 1.097 986 F CA 1.145 59.186 58.000 0.067 0.000 1.264 986 F CB -0.054 38.984 39.000 0.065 0.000 1.001 986 F HN -0.115 nan 8.300 nan 0.000 0.479 987 I N 0.417 121.145 120.570 0.264 0.000 2.058 987 I HA -0.347 3.834 4.170 0.019 0.000 0.235 987 I C 2.652 178.776 176.117 0.013 0.000 1.053 987 I CA 1.511 62.941 61.300 0.216 0.000 1.313 987 I CB -1.041 37.201 38.000 0.403 0.000 1.039 987 I HN 0.182 nan 8.210 nan 0.000 0.396 988 A N 0.168 122.875 122.820 -0.188 0.000 2.186 988 A HA -0.227 4.104 4.320 0.019 0.000 0.219 988 A C 2.339 179.614 177.584 -0.515 0.000 1.159 988 A CA 1.635 53.277 52.037 -0.659 0.000 0.680 988 A CB -0.664 17.829 19.000 -0.845 0.000 0.787 988 A HN 0.461 nan 8.150 nan 0.000 0.467 989 R N -0.518 119.777 120.500 -0.342 0.000 2.039 989 R HA 0.037 4.389 4.340 0.019 0.000 0.218 989 R C 1.424 177.500 176.300 -0.373 0.000 1.220 989 R CA 0.770 56.677 56.100 -0.323 0.000 0.993 989 R CB -0.327 29.832 30.300 -0.235 0.000 0.881 989 R HN 0.501 nan 8.270 nan 0.000 0.450 990 N N -0.022 118.384 118.700 -0.491 0.000 2.512 990 N HA -0.120 4.631 4.740 0.019 0.000 0.183 990 N C -0.217 175.153 175.510 -0.234 0.000 1.073 990 N CA 0.480 53.264 53.050 -0.442 0.000 0.911 990 N CB 0.185 38.203 38.487 -0.782 0.000 0.964 990 N HN 0.233 nan 8.380 nan 0.000 0.447 991 Y N 0.878 120.996 120.300 -0.305 0.000 2.446 991 Y HA 0.591 5.152 4.550 0.019 0.000 0.338 991 Y C -0.957 174.789 175.900 -0.258 0.000 1.055 991 Y CA -1.171 56.793 58.100 -0.226 0.000 1.101 991 Y CB 0.926 39.270 38.460 -0.193 0.000 1.221 991 Y HN -0.219 nan 8.280 nan 0.000 0.460 992 L N 3.810 124.450 121.223 -0.972 0.000 2.409 992 L HA 0.723 5.075 4.340 0.019 0.000 0.255 992 L C -1.421 175.003 176.870 -0.743 0.000 1.027 992 L CA -0.591 53.690 54.840 -0.931 0.000 0.834 992 L CB 2.361 44.147 42.059 -0.454 0.000 1.426 992 L HN 0.950 nan 8.230 nan 0.000 0.411 993 E N 0.271 120.145 120.200 -0.544 0.000 2.398 993 E HA 0.627 4.989 4.350 0.019 0.000 0.280 993 E C -1.403 175.081 176.600 -0.193 0.000 1.122 993 E CA -0.161 56.080 56.400 -0.265 0.000 0.873 993 E CB 1.646 31.256 29.700 -0.151 0.000 1.294 993 E HN 1.063 nan 8.360 nan 0.000 0.435 994 G N 0.000 108.742 108.800 -0.096 0.000 5.446 994 G HA2 0.000 3.972 3.960 0.019 0.000 0.244 994 G HA3 0.000 3.972 3.960 0.019 0.000 0.244 994 G CA 0.000 45.071 45.100 -0.048 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925