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 2gag_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSKPQRLSAE QSSRARINRE EALSLTVDGA KLSAFRGDTV ASALLANGVR DATA SEQUENCE RAGNSLYLDR PRGIFAAGVE EPNALVTVSA RHEQDIDESM LPATTVPVTE DATA SEQUENCE DLNATLLSGL GVLDPTKDPA YYDHVHVHTD VLVVGAGPAG LAAAREASRS DATA SEQUENCE GARVMLLDER AEAGGTLLDT AGEQIDGMDS SAWIEQVTSE LAEAEETTHL DATA SEQUENCE QRTTVFGSYD ANYLIAAQRR TVHLDGPSGP GVSRERIWHI RAKQVVLATG DATA SEQUENCE AHERPIVFEN NDRPGIMLAG AVRSYLNRYG VRAGARIAVA TTNDSAYELV DATA SEQUENCE RELAATGGVV AVIDARSSIS AAAAQAVADG VQVISGSVVV DTEADENGEL DATA SEQUENCE SAIVVAELDE ARELGGTQRF EADVLAVAGG FNPVVHLHSQ RQGKLDWDTT DATA SEQUENCE IHAFVPADAV ANQHLAGAMT GRLDTASALS TGAATGAAAA TAAGFATVAR DATA SEQUENCE TPQALETALG ETRPVWLVPS VSGDDAVNYK FHFVDLQRDQ TVADVLRATG DATA SEQUENCE AGMKSVEHIK RYTSISTAND QGKTSGVAAI GVIAAVLGIE NPAAIGTTTF DATA SEQUENCE RAPYTPVAFA ALAGRNRGDQ LDPARITAMH SWHLSHGAEF EDVGQWKRPW DATA SEQUENCE YYPQAGETMD QAVYRESKAV RDSVGMLDAT TLGKIEIRGK DAAEFLNRIY DATA SEQUENCE TNGYTKLKVG MGRYGVMCKA DGMIFDDGVT LRLAEDRFLL HTTTGGAADV DATA SEQUENCE LDWLEEWLQT EWPDLDVTCT SVTEQLATVA VVGPRSRDVI AKLASTVDVS DATA SEQUENCE NEGFKFMAFK DVVLDSGIEA RISRISFSGE LAFEIAVPAW HGLRVWEDVY DATA SEQUENCE AAGEEFNITP YGTETMHVLR AEKGFIIVGQ DTDGTVTPQD AGMEWVVSKL DATA SEQUENCE KDFIGNRSYS RADNAREDRK QLVSVLPVDK SLRLPEGAAL VASDALASEG DATA SEQUENCE ITPMEGWVTS SYDSPNLGRT FGLALIKNGR NRIGEVLKTP VGDQLVDVVV DATA SEQUENCE SETVLYDPEG SRRDG 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 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.304 55.300 0.007 0.000 0.988 1 M CB 0.000 32.606 32.600 0.011 0.000 1.302 2 S N 0.993 116.694 115.700 0.002 0.000 2.387 2 S HA 0.059 4.527 4.470 -0.004 0.000 0.226 2 S C 0.807 175.402 174.600 -0.007 0.000 1.026 2 S CA 0.927 59.126 58.200 -0.001 0.000 0.972 2 S CB -0.043 63.157 63.200 -0.001 0.000 0.814 2 S HN 0.374 nan 8.310 nan 0.000 0.477 3 K N 2.556 122.950 120.400 -0.010 0.000 2.382 3 K HA 0.135 4.453 4.320 -0.004 0.000 0.275 3 K C -2.486 174.103 176.600 -0.020 0.000 1.009 3 K CA -1.316 54.961 56.287 -0.017 0.000 0.970 3 K CB 0.119 32.609 32.500 -0.017 0.000 0.934 3 K HN 0.175 nan 8.250 nan 0.000 0.479 4 P HA -0.002 nan 4.420 nan 0.000 0.274 4 P C -1.346 175.938 177.300 -0.026 0.000 1.246 4 P CA -0.208 62.868 63.100 -0.039 0.000 0.795 4 P CB 0.798 32.451 31.700 -0.079 0.000 1.006 5 Q N -1.216 118.578 119.800 -0.010 0.000 2.578 5 Q HA 0.562 4.900 4.340 -0.004 0.000 0.284 5 Q C -1.089 174.931 176.000 0.033 0.000 0.960 5 Q CA -1.217 54.590 55.803 0.007 0.000 0.809 5 Q CB 1.110 29.856 28.738 0.013 0.000 1.462 5 Q HN 0.141 nan 8.270 nan 0.000 0.392 6 R N 1.165 121.697 120.500 0.053 0.000 2.340 6 R HA 0.463 4.801 4.340 -0.004 0.000 0.300 6 R C -0.829 175.516 176.300 0.076 0.000 1.069 6 R CA -0.168 55.985 56.100 0.089 0.000 0.984 6 R CB 0.439 30.821 30.300 0.136 0.000 1.003 6 R HN 0.711 nan 8.270 nan 0.000 0.459 7 L N 2.356 123.623 121.223 0.074 0.000 2.475 7 L HA 0.244 4.582 4.340 -0.004 0.000 0.250 7 L C 0.582 177.481 176.870 0.049 0.000 1.224 7 L CA -0.352 54.521 54.840 0.054 0.000 0.821 7 L CB 0.765 42.853 42.059 0.048 0.000 1.141 7 L HN 0.858 nan 8.230 nan 0.000 0.494 8 S N 0.025 115.745 115.700 0.033 0.000 2.603 8 S HA 0.273 4.740 4.470 -0.004 0.000 0.268 8 S C 0.982 175.585 174.600 0.004 0.000 1.317 8 S CA -0.230 57.984 58.200 0.023 0.000 1.012 8 S CB 1.424 64.635 63.200 0.018 0.000 0.926 8 S HN 0.682 nan 8.310 nan 0.000 0.539 9 A N 1.113 123.925 122.820 -0.014 0.000 1.948 9 A HA -0.119 4.198 4.320 -0.004 0.000 0.220 9 A C 2.070 179.639 177.584 -0.025 0.000 1.177 9 A CA 1.976 53.989 52.037 -0.041 0.000 0.636 9 A CB -1.231 17.734 19.000 -0.058 0.000 0.815 9 A HN 0.947 nan 8.150 nan 0.000 0.449 10 E N -0.193 120.000 120.200 -0.012 0.000 2.085 10 E HA -0.191 4.157 4.350 -0.004 0.000 0.194 10 E C 1.863 178.461 176.600 -0.003 0.000 0.994 10 E CA 1.633 58.028 56.400 -0.007 0.000 0.801 10 E CB -0.140 29.559 29.700 -0.001 0.000 0.743 10 E HN 0.779 nan 8.360 nan 0.000 0.453 11 Q N -0.839 118.962 119.800 0.002 0.000 2.280 11 Q HA 0.120 4.457 4.340 -0.004 0.000 0.202 11 Q C -0.034 175.971 176.000 0.009 0.000 0.903 11 Q CA 0.401 56.209 55.803 0.008 0.000 0.948 11 Q CB 0.755 29.501 28.738 0.015 0.000 1.058 11 Q HN 0.112 nan 8.270 nan 0.000 0.493 12 S N -1.786 113.915 115.700 0.001 0.000 2.825 12 S HA 0.091 4.558 4.470 -0.004 0.000 0.242 12 S C 1.046 175.636 174.600 -0.017 0.000 0.980 12 S CA -0.177 58.024 58.200 0.001 0.000 1.107 12 S CB 0.314 63.521 63.200 0.012 0.000 1.172 12 S HN 0.210 nan 8.310 nan 0.000 0.483 13 S N 2.114 117.803 115.700 -0.017 0.000 2.442 13 S HA -0.079 4.389 4.470 -0.004 0.000 0.236 13 S C 1.588 176.172 174.600 -0.027 0.000 1.007 13 S CA 0.348 58.534 58.200 -0.024 0.000 0.965 13 S CB -0.465 62.724 63.200 -0.018 0.000 0.773 13 S HN 0.656 nan 8.310 nan 0.000 0.504 14 R N 1.311 121.796 120.500 -0.024 0.000 2.317 14 R HA 0.417 4.755 4.340 -0.004 0.000 0.208 14 R C 0.802 177.076 176.300 -0.044 0.000 0.914 14 R CA 0.344 56.426 56.100 -0.030 0.000 1.060 14 R CB -0.191 30.092 30.300 -0.027 0.000 1.015 14 R HN 0.474 nan 8.270 nan 0.000 0.498 15 A N 1.967 124.763 122.820 -0.040 0.000 2.540 15 A HA 0.004 4.321 4.320 -0.004 0.000 0.239 15 A C 0.400 177.950 177.584 -0.058 0.000 1.061 15 A CA 0.075 52.084 52.037 -0.047 0.000 0.758 15 A CB 0.271 19.266 19.000 -0.008 0.000 0.991 15 A HN 0.159 nan 8.150 nan 0.000 0.502 16 R N 1.900 122.343 120.500 -0.094 0.000 4.031 16 R HA 0.211 4.549 4.340 -0.004 0.000 0.269 16 R C -0.105 176.197 176.300 0.004 0.000 1.668 16 R CA 0.189 56.247 56.100 -0.069 0.000 1.432 16 R CB -1.396 28.829 30.300 -0.125 0.000 1.374 16 R HN 0.761 nan 8.270 nan 0.000 0.681 17 I N -2.738 117.847 120.570 0.026 0.000 2.785 17 I HA 0.480 4.648 4.170 -0.004 0.000 0.302 17 I C -0.392 175.727 176.117 0.003 0.000 1.069 17 I CA -1.217 60.133 61.300 0.083 0.000 1.045 17 I CB 2.329 40.426 38.000 0.163 0.000 1.236 17 I HN -0.233 nan 8.210 nan 0.000 0.429 18 N N 3.757 122.482 118.700 0.042 0.000 2.589 18 N HA 0.320 5.057 4.740 -0.004 0.000 0.232 18 N C 0.351 175.814 175.510 -0.077 0.000 1.015 18 N CA -0.414 52.632 53.050 -0.006 0.000 0.931 18 N CB 0.850 39.366 38.487 0.050 0.000 1.150 18 N HN 0.652 nan 8.380 nan 0.000 0.512 19 R N 1.197 121.504 120.500 -0.321 0.000 2.285 19 R HA -0.010 4.328 4.340 -0.004 0.000 0.213 19 R C 0.420 176.640 176.300 -0.135 0.000 1.068 19 R CA 0.750 56.453 56.100 -0.663 0.000 1.004 19 R CB 0.341 30.231 30.300 -0.683 0.000 0.873 19 R HN 0.517 nan 8.270 nan 0.000 0.467 20 E N 0.499 120.684 120.200 -0.024 0.000 2.435 20 E HA -0.080 4.268 4.350 -0.004 0.000 0.195 20 E C 0.006 176.672 176.600 0.110 0.000 1.029 20 E CA 0.542 56.968 56.400 0.045 0.000 0.865 20 E CB 0.221 29.933 29.700 0.020 0.000 0.833 20 E HN 0.353 nan 8.360 nan 0.000 0.510 21 E N 0.711 121.015 120.200 0.173 0.000 2.593 21 E HA 0.435 4.782 4.350 -0.004 0.000 0.232 21 E C -1.081 175.676 176.600 0.262 0.000 1.026 21 E CA -0.403 56.102 56.400 0.176 0.000 0.772 21 E CB 0.621 30.394 29.700 0.123 0.000 1.310 21 E HN -0.010 nan 8.360 nan 0.000 0.413 22 A N 4.176 127.136 122.820 0.232 0.000 2.407 22 A HA 0.513 4.831 4.320 -0.004 0.000 0.248 22 A C -0.536 177.032 177.584 -0.026 0.000 1.082 22 A CA -0.051 52.019 52.037 0.055 0.000 0.785 22 A CB 0.383 19.383 19.000 -0.001 0.000 1.020 22 A HN 0.679 nan 8.150 nan 0.000 0.489 23 L N 1.019 122.167 121.223 -0.125 0.000 2.388 23 L HA 0.561 4.898 4.340 -0.004 0.000 0.264 23 L C 0.217 177.023 176.870 -0.107 0.000 0.998 23 L CA -0.543 54.254 54.840 -0.073 0.000 0.817 23 L CB 2.349 44.390 42.059 -0.031 0.000 1.338 23 L HN 0.714 nan 8.230 nan 0.000 0.414 24 S N 2.506 118.166 115.700 -0.067 0.000 2.549 24 S HA 0.921 5.389 4.470 -0.004 0.000 0.297 24 S C -0.829 173.742 174.600 -0.049 0.000 1.115 24 S CA -0.511 57.650 58.200 -0.065 0.000 1.059 24 S CB 1.112 64.283 63.200 -0.047 0.000 1.046 24 S HN 0.539 nan 8.310 nan 0.000 0.506 25 L N 0.895 122.087 121.223 -0.052 0.000 2.671 25 L HA 0.831 5.168 4.340 -0.004 0.000 0.259 25 L C -1.235 175.611 176.870 -0.040 0.000 1.021 25 L CA -0.840 53.976 54.840 -0.040 0.000 0.871 25 L CB 1.825 43.860 42.059 -0.040 0.000 1.472 25 L HN 0.497 nan 8.230 nan 0.000 0.410 26 T N 0.866 115.400 114.554 -0.034 0.000 2.881 26 T HA 0.721 5.069 4.350 -0.004 0.000 0.290 26 T C -0.977 173.704 174.700 -0.033 0.000 1.000 26 T CA -0.521 61.559 62.100 -0.033 0.000 0.978 26 T CB 1.968 70.820 68.868 -0.028 0.000 0.997 26 T HN 0.516 nan 8.240 nan 0.000 0.443 27 V N 2.903 122.796 119.914 -0.035 0.000 2.483 27 V HA 0.353 4.471 4.120 -0.004 0.000 0.297 27 V C -0.416 175.659 176.094 -0.033 0.000 1.027 27 V CA -0.952 61.327 62.300 -0.035 0.000 0.855 27 V CB 1.582 33.381 31.823 -0.040 0.000 0.995 27 V HN 1.005 nan 8.190 nan 0.000 0.424 28 D N 4.109 124.490 120.400 -0.031 0.000 2.708 28 D HA -0.199 4.439 4.640 -0.004 0.000 0.236 28 D C 1.373 177.657 176.300 -0.027 0.000 1.146 28 D CA 1.880 55.862 54.000 -0.029 0.000 0.662 28 D CB -1.096 39.685 40.800 -0.031 0.000 1.059 28 D HN 1.478 nan 8.370 nan 0.000 0.428 29 G N -1.431 107.354 108.800 -0.026 0.000 2.234 29 G HA2 -0.185 3.773 3.960 -0.004 0.000 0.260 29 G HA3 -0.185 3.773 3.960 -0.004 0.000 0.260 29 G C 0.474 175.359 174.900 -0.024 0.000 0.987 29 G CA 0.660 45.746 45.100 -0.023 0.000 0.625 29 G HN 1.295 nan 8.290 nan 0.000 0.532 30 A N 0.070 122.874 122.820 -0.028 0.000 2.289 30 A HA 0.725 5.043 4.320 -0.004 0.000 0.298 30 A C 0.289 177.853 177.584 -0.033 0.000 1.208 30 A CA -0.057 51.962 52.037 -0.029 0.000 0.845 30 A CB 0.532 19.514 19.000 -0.031 0.000 1.125 30 A HN 0.292 nan 8.150 nan 0.000 0.517 31 K N 1.649 122.029 120.400 -0.032 0.000 2.339 31 K HA 0.537 4.854 4.320 -0.004 0.000 0.286 31 K C -0.588 175.985 176.600 -0.045 0.000 1.050 31 K CA 0.597 56.862 56.287 -0.037 0.000 0.956 31 K CB 0.405 32.885 32.500 -0.033 0.000 0.990 31 K HN 0.625 nan 8.250 nan 0.000 0.475 32 L N 1.035 122.226 121.223 -0.054 0.000 2.309 32 L HA 0.568 4.905 4.340 -0.004 0.000 0.261 32 L C -0.298 176.518 176.870 -0.091 0.000 1.021 32 L CA -1.108 53.691 54.840 -0.068 0.000 0.823 32 L CB 2.191 44.209 42.059 -0.068 0.000 1.366 32 L HN 0.649 nan 8.230 nan 0.000 0.423 33 S N 0.161 115.788 115.700 -0.122 0.000 2.503 33 S HA 0.941 5.408 4.470 -0.004 0.000 0.301 33 S C -0.622 173.813 174.600 -0.275 0.000 1.087 33 S CA -0.457 57.627 58.200 -0.194 0.000 1.042 33 S CB 2.281 65.359 63.200 -0.203 0.000 1.043 33 S HN 0.872 nan 8.310 nan 0.000 0.489 34 A N 1.638 124.238 122.820 -0.366 0.000 2.524 34 A HA 0.930 5.248 4.320 -0.004 0.000 0.289 34 A C -1.764 175.453 177.584 -0.611 0.000 1.248 34 A CA -0.844 50.964 52.037 -0.382 0.000 0.712 34 A CB 0.784 19.701 19.000 -0.138 0.000 1.312 34 A HN 0.715 nan 8.150 nan 0.000 0.441 35 F N -0.525 119.453 119.950 0.046 0.000 2.588 35 F HA 0.697 5.221 4.527 -0.004 0.000 0.314 35 F C 0.388 176.228 175.800 0.066 0.000 1.069 35 F CA -0.664 57.368 58.000 0.054 0.000 0.931 35 F CB 1.708 40.745 39.000 0.061 0.000 1.260 35 F HN 0.611 nan 8.300 nan 0.000 0.465 36 R N 0.790 121.446 120.500 0.260 0.000 2.538 36 R HA 0.424 4.762 4.340 -0.004 0.000 0.282 36 R C 0.877 177.294 176.300 0.195 0.000 1.009 36 R CA 1.309 57.516 56.100 0.179 0.000 1.063 36 R CB -0.224 30.161 30.300 0.143 0.000 0.945 36 R HN 0.915 nan 8.270 nan 0.000 0.414 37 G N 2.678 111.587 108.800 0.182 0.000 2.316 37 G HA2 -0.204 3.753 3.960 -0.004 0.000 0.203 37 G HA3 -0.204 3.753 3.960 -0.004 0.000 0.203 37 G C -0.294 174.779 174.900 0.289 0.000 0.999 37 G CA 0.002 45.224 45.100 0.203 0.000 0.649 37 G HN 0.629 nan 8.290 nan 0.000 0.489 38 D N 1.820 122.367 120.400 0.246 0.000 2.357 38 D HA 0.516 5.154 4.640 -0.004 0.000 0.242 38 D C 1.075 177.418 176.300 0.071 0.000 1.153 38 D CA 1.203 55.302 54.000 0.166 0.000 0.918 38 D CB 1.270 42.125 40.800 0.091 0.000 1.181 38 D HN 0.481 nan 8.370 nan 0.000 0.435 39 T N -2.821 111.684 114.554 -0.081 0.000 2.948 39 T HA 0.299 4.647 4.350 -0.004 0.000 0.285 39 T C 1.408 176.067 174.700 -0.068 0.000 1.019 39 T CA -0.853 61.218 62.100 -0.047 0.000 1.013 39 T CB 0.980 69.807 68.868 -0.068 0.000 1.117 39 T HN 0.014 nan 8.240 nan 0.000 0.533 40 V N 1.127 121.020 119.914 -0.035 0.000 2.469 40 V HA -0.126 3.991 4.120 -0.004 0.000 0.251 40 V C 2.975 179.029 176.094 -0.067 0.000 1.064 40 V CA 2.352 64.626 62.300 -0.043 0.000 1.066 40 V CB -1.561 30.246 31.823 -0.026 0.000 0.667 40 V HN 1.065 nan 8.190 nan 0.000 0.461 41 A N 0.819 123.603 122.820 -0.060 0.000 1.858 41 A HA -0.214 4.104 4.320 -0.004 0.000 0.216 41 A C 2.585 180.072 177.584 -0.162 0.000 1.190 41 A CA 2.347 54.344 52.037 -0.067 0.000 0.617 41 A CB -0.941 18.093 19.000 0.057 0.000 0.827 41 A HN 0.676 nan 8.150 nan 0.000 0.443 42 S N 0.250 115.834 115.700 -0.193 0.000 2.399 42 S HA 0.005 4.473 4.470 -0.004 0.000 0.231 42 S C 2.067 176.564 174.600 -0.171 0.000 1.022 42 S CA 1.461 59.497 58.200 -0.272 0.000 0.983 42 S CB -0.683 62.073 63.200 -0.741 0.000 0.803 42 S HN 0.921 nan 8.310 nan 0.000 0.480 43 A N 2.100 124.841 122.820 -0.131 0.000 1.873 43 A HA 0.157 4.474 4.320 -0.004 0.000 0.215 43 A C 2.333 179.860 177.584 -0.094 0.000 1.186 43 A CA 1.369 53.355 52.037 -0.085 0.000 0.616 43 A CB -0.900 18.057 19.000 -0.072 0.000 0.823 43 A HN 0.527 nan 8.150 nan 0.000 0.442 44 L N -0.575 120.583 121.223 -0.109 0.000 1.989 44 L HA -0.225 4.113 4.340 -0.004 0.000 0.211 44 L C 2.609 179.406 176.870 -0.121 0.000 1.071 44 L CA 1.428 56.205 54.840 -0.105 0.000 0.749 44 L CB -0.571 41.426 42.059 -0.104 0.000 0.890 44 L HN 0.385 nan 8.230 nan 0.000 0.431 45 L N -0.678 120.436 121.223 -0.183 0.000 2.083 45 L HA -0.188 4.149 4.340 -0.004 0.000 0.209 45 L C 2.831 179.634 176.870 -0.112 0.000 1.083 45 L CA 1.056 55.779 54.840 -0.195 0.000 0.752 45 L CB -0.787 41.050 42.059 -0.370 0.000 0.899 45 L HN 0.252 nan 8.230 nan 0.000 0.433 46 A N -0.152 122.619 122.820 -0.081 0.000 2.019 46 A HA -0.175 4.142 4.320 -0.004 0.000 0.219 46 A C 1.819 179.390 177.584 -0.021 0.000 1.164 46 A CA 1.564 53.592 52.037 -0.015 0.000 0.644 46 A CB -0.465 18.549 19.000 0.022 0.000 0.805 46 A HN 0.495 nan 8.150 nan 0.000 0.449 47 N N -0.901 117.771 118.700 -0.047 0.000 2.268 47 N HA 0.179 4.916 4.740 -0.004 0.000 0.204 47 N C 0.902 176.387 175.510 -0.042 0.000 1.124 47 N CA 0.748 53.772 53.050 -0.044 0.000 0.838 47 N CB 0.485 38.939 38.487 -0.055 0.000 0.994 47 N HN 0.599 nan 8.380 nan 0.000 0.489 48 G N 0.628 109.401 108.800 -0.045 0.000 2.143 48 G HA2 -0.253 3.705 3.960 -0.004 0.000 0.248 48 G HA3 -0.253 3.705 3.960 -0.004 0.000 0.248 48 G C -0.046 174.825 174.900 -0.048 0.000 0.991 48 G CA -0.033 45.042 45.100 -0.041 0.000 0.689 48 G HN 0.177 nan 8.290 nan 0.000 0.522 49 V N 0.638 120.516 119.914 -0.061 0.000 2.333 49 V HA 0.482 4.599 4.120 -0.004 0.000 0.274 49 V C 1.384 177.434 176.094 -0.073 0.000 1.028 49 V CA 0.245 62.509 62.300 -0.060 0.000 0.851 49 V CB 1.304 33.090 31.823 -0.061 0.000 1.000 49 V HN 0.413 nan 8.190 nan 0.000 0.456 50 R N 3.801 124.265 120.500 -0.060 0.000 2.128 50 R HA 0.221 4.559 4.340 -0.004 0.000 0.211 50 R C 0.947 177.216 176.300 -0.052 0.000 1.067 50 R CA 0.069 56.132 56.100 -0.062 0.000 1.010 50 R CB 0.341 30.614 30.300 -0.045 0.000 0.922 50 R HN 0.579 nan 8.270 nan 0.000 0.457 51 R N 0.633 121.107 120.500 -0.044 0.000 2.490 51 R HA 0.274 4.612 4.340 -0.004 0.000 0.280 51 R C -0.355 175.919 176.300 -0.044 0.000 1.077 51 R CA -0.002 56.074 56.100 -0.040 0.000 1.065 51 R CB 1.506 31.784 30.300 -0.038 0.000 1.003 51 R HN 0.194 nan 8.270 nan 0.000 0.470 52 A N 1.797 124.591 122.820 -0.043 0.000 2.806 52 A HA 0.672 4.990 4.320 -0.004 0.000 0.254 52 A C 0.188 177.742 177.584 -0.050 0.000 1.437 52 A CA -0.363 51.647 52.037 -0.045 0.000 0.903 52 A CB 0.217 19.193 19.000 -0.040 0.000 1.609 52 A HN 0.706 nan 8.150 nan 0.000 0.505 53 G N -0.142 108.625 108.800 -0.054 0.000 2.569 53 G HA2 0.396 4.353 3.960 -0.004 0.000 0.249 53 G HA3 0.396 4.353 3.960 -0.004 0.000 0.249 53 G C -0.205 174.654 174.900 -0.068 0.000 1.216 53 G CA -0.375 44.690 45.100 -0.058 0.000 0.845 53 G HN 0.626 nan 8.290 nan 0.000 0.568 54 N N -0.353 118.308 118.700 -0.064 0.000 2.415 54 N HA 0.177 4.914 4.740 -0.004 0.000 0.248 54 N C 1.005 176.461 175.510 -0.090 0.000 1.271 54 N CA 0.015 53.024 53.050 -0.069 0.000 0.913 54 N CB 0.818 39.276 38.487 -0.050 0.000 1.129 54 N HN 0.651 nan 8.380 nan 0.000 0.444 55 S N 0.481 116.119 115.700 -0.102 0.000 2.566 55 S HA -0.041 4.426 4.470 -0.004 0.000 0.280 55 S C 1.417 175.940 174.600 -0.129 0.000 1.343 55 S CA -0.609 57.515 58.200 -0.127 0.000 1.036 55 S CB 0.355 63.475 63.200 -0.135 0.000 0.866 55 S HN 0.525 nan 8.310 nan 0.000 0.526 56 L N 2.155 123.254 121.223 -0.208 0.000 2.042 56 L HA -0.034 4.304 4.340 -0.004 0.000 0.210 56 L C 1.485 178.116 176.870 -0.398 0.000 1.076 56 L CA 2.000 56.616 54.840 -0.373 0.000 0.749 56 L CB -0.802 40.898 42.059 -0.598 0.000 0.893 56 L HN 0.862 nan 8.230 nan 0.000 0.432 57 Y N -2.109 118.197 120.300 0.008 0.000 2.607 57 Y HA 0.259 4.806 4.550 -0.004 0.000 0.276 57 Y C 2.011 177.935 175.900 0.039 0.000 1.117 57 Y CA 0.149 58.262 58.100 0.022 0.000 1.273 57 Y CB -0.129 38.349 38.460 0.030 0.000 1.282 57 Y HN -0.053 nan 8.280 nan 0.000 0.514 58 L N -0.105 121.242 121.223 0.208 0.000 2.558 58 L HA 0.045 4.382 4.340 -0.004 0.000 0.225 58 L C 0.218 177.151 176.870 0.106 0.000 1.128 58 L CA 0.788 55.733 54.840 0.175 0.000 0.868 58 L CB -0.203 42.002 42.059 0.244 0.000 1.006 58 L HN 0.159 nan 8.230 nan 0.000 0.454 59 D N 1.295 121.727 120.400 0.053 0.000 2.723 59 D HA -0.180 4.458 4.640 -0.004 0.000 0.236 59 D C 0.176 176.480 176.300 0.008 0.000 1.138 59 D CA 0.470 54.479 54.000 0.014 0.000 0.676 59 D CB -0.142 40.673 40.800 0.024 0.000 1.069 59 D HN 0.177 nan 8.370 nan 0.000 0.430 60 R N 0.119 120.615 120.500 -0.007 0.000 2.500 60 R HA 0.511 4.849 4.340 -0.004 0.000 0.275 60 R C -2.297 173.963 176.300 -0.067 0.000 1.051 60 R CA -1.619 54.465 56.100 -0.026 0.000 1.088 60 R CB 0.303 30.572 30.300 -0.052 0.000 1.063 60 R HN 0.131 nan 8.270 nan 0.000 0.511 61 P HA 0.155 nan 4.420 nan 0.000 0.271 61 P C -0.464 176.784 177.300 -0.087 0.000 1.216 61 P CA 0.117 63.180 63.100 -0.062 0.000 0.776 61 P CB 0.709 32.381 31.700 -0.046 0.000 0.881 62 R N 1.447 121.898 120.500 -0.081 0.000 2.774 62 R HA 0.794 5.132 4.340 -0.004 0.000 0.272 62 R C -0.084 176.187 176.300 -0.049 0.000 1.000 62 R CA -0.765 55.282 56.100 -0.088 0.000 0.906 62 R CB 2.322 32.548 30.300 -0.122 0.000 1.227 62 R HN 0.644 nan 8.270 nan 0.000 0.468 63 G N 0.339 109.129 108.800 -0.017 0.000 2.818 63 G HA2 0.548 4.505 3.960 -0.004 0.000 0.286 63 G HA3 0.548 4.505 3.960 -0.004 0.000 0.286 63 G C -0.541 174.383 174.900 0.041 0.000 1.364 63 G CA -0.865 44.236 45.100 0.001 0.000 0.938 63 G HN 0.372 nan 8.290 nan 0.000 0.490 64 I N 0.463 121.049 120.570 0.027 0.000 2.683 64 I HA 0.059 4.227 4.170 -0.004 0.000 0.286 64 I C 0.608 176.828 176.117 0.171 0.000 1.175 64 I CA 0.218 61.559 61.300 0.069 0.000 1.429 64 I CB 0.706 38.700 38.000 -0.009 0.000 1.371 64 I HN 0.497 nan 8.210 nan 0.000 0.569 65 F N 5.705 125.674 119.950 0.032 0.000 2.553 65 F HA 0.443 4.968 4.527 -0.004 0.000 0.282 65 F C 1.005 176.858 175.800 0.088 0.000 1.089 65 F CA 0.380 58.405 58.000 0.043 0.000 1.411 65 F CB 0.349 39.353 39.000 0.007 0.000 1.125 65 F HN 0.474 nan 8.300 nan 0.000 0.610 66 A N -0.562 122.377 122.820 0.199 0.000 2.548 66 A HA 0.797 5.114 4.320 -0.004 0.000 0.262 66 A C 0.101 177.776 177.584 0.151 0.000 1.271 66 A CA -0.013 52.086 52.037 0.103 0.000 0.839 66 A CB 0.361 19.432 19.000 0.118 0.000 1.381 66 A HN 0.286 nan 8.150 nan 0.000 0.468 67 A N -1.797 121.036 122.820 0.021 0.000 2.551 67 A HA 0.610 4.928 4.320 -0.004 0.000 0.252 67 A C 0.767 178.364 177.584 0.021 0.000 1.199 67 A CA 1.072 53.063 52.037 -0.076 0.000 0.972 67 A CB -0.210 18.548 19.000 -0.403 0.000 1.153 67 A HN 1.792 nan 8.150 nan 0.000 0.559 68 G N -1.042 107.786 108.800 0.047 0.000 3.183 68 G HA2 0.434 4.392 3.960 -0.004 0.000 0.247 68 G HA3 0.434 4.392 3.960 -0.004 0.000 0.247 68 G C 0.918 175.847 174.900 0.049 0.000 1.211 68 G CA 0.479 45.619 45.100 0.066 0.000 0.835 68 G HN 0.666 nan 8.290 nan 0.000 0.604 69 V N -0.430 119.518 119.914 0.056 0.000 3.078 69 V HA 0.019 4.136 4.120 -0.004 0.000 0.265 69 V C 1.839 177.893 176.094 -0.067 0.000 1.122 69 V CA 2.366 64.670 62.300 0.007 0.000 1.141 69 V CB -0.519 31.316 31.823 0.020 0.000 0.735 69 V HN 0.685 nan 8.190 nan 0.000 0.498 70 E N 1.321 121.448 120.200 -0.121 0.000 2.476 70 E HA -0.035 4.313 4.350 -0.004 0.000 0.191 70 E C 0.681 177.264 176.600 -0.027 0.000 1.064 70 E CA -0.082 56.207 56.400 -0.185 0.000 0.866 70 E CB -0.198 29.242 29.700 -0.433 0.000 0.952 70 E HN 0.711 nan 8.360 nan 0.000 0.492 71 E N 3.157 123.367 120.200 0.016 0.000 2.480 71 E HA -0.014 4.334 4.350 -0.004 0.000 0.258 71 E C -1.676 174.937 176.600 0.023 0.000 0.984 71 E CA -1.339 55.102 56.400 0.068 0.000 0.930 71 E CB 1.140 30.878 29.700 0.063 0.000 0.936 71 E HN 0.004 nan 8.360 nan 0.000 0.466 72 P HA 0.137 nan 4.420 nan 0.000 0.251 72 P C -0.057 177.192 177.300 -0.084 0.000 1.198 72 P CA 0.204 63.266 63.100 -0.064 0.000 0.847 72 P CB 0.753 32.367 31.700 -0.144 0.000 1.082 73 N N 0.747 119.411 118.700 -0.061 0.000 2.499 73 N HA 0.091 4.829 4.740 -0.004 0.000 0.182 73 N C 0.922 176.403 175.510 -0.047 0.000 1.034 73 N CA 0.368 53.373 53.050 -0.074 0.000 0.882 73 N CB -0.355 38.087 38.487 -0.076 0.000 1.125 73 N HN 0.010 nan 8.380 nan 0.000 0.436 74 A N 2.194 125.006 122.820 -0.014 0.000 2.666 74 A HA 0.515 4.833 4.320 -0.004 0.000 0.312 74 A C -0.252 177.320 177.584 -0.019 0.000 1.471 74 A CA -0.201 51.826 52.037 -0.016 0.000 1.134 74 A CB -0.664 18.337 19.000 0.002 0.000 1.129 74 A HN 0.148 nan 8.150 nan 0.000 0.539 75 L N 3.005 124.207 121.223 -0.034 0.000 2.342 75 L HA 0.789 5.126 4.340 -0.004 0.000 0.271 75 L C -0.156 176.692 176.870 -0.036 0.000 1.008 75 L CA -1.019 53.800 54.840 -0.035 0.000 0.818 75 L CB 1.996 44.027 42.059 -0.046 0.000 1.296 75 L HN 0.516 nan 8.230 nan 0.000 0.427 76 V N -1.450 118.445 119.914 -0.032 0.000 3.130 76 V HA 0.641 4.759 4.120 -0.004 0.000 0.310 76 V C -0.410 175.665 176.094 -0.033 0.000 1.158 76 V CA -0.521 61.760 62.300 -0.033 0.000 1.029 76 V CB 2.006 33.813 31.823 -0.027 0.000 1.057 76 V HN 0.678 nan 8.190 nan 0.000 0.436 77 T N 2.153 116.687 114.554 -0.034 0.000 2.749 77 T HA 0.608 4.956 4.350 -0.004 0.000 0.287 77 T C -0.347 174.335 174.700 -0.030 0.000 0.970 77 T CA -0.200 61.880 62.100 -0.034 0.000 0.980 77 T CB 1.211 70.057 68.868 -0.036 0.000 0.924 77 T HN 0.702 nan 8.240 nan 0.000 0.456 78 V N 3.970 123.867 119.914 -0.028 0.000 2.407 78 V HA 0.309 4.427 4.120 -0.004 0.000 0.278 78 V C 0.563 176.637 176.094 -0.033 0.000 1.037 78 V CA -0.599 61.685 62.300 -0.027 0.000 0.900 78 V CB 1.614 33.425 31.823 -0.020 0.000 0.983 78 V HN 0.944 nan 8.190 nan 0.000 0.459 79 S N 3.486 119.165 115.700 -0.035 0.000 2.580 79 S HA 0.504 4.972 4.470 -0.004 0.000 0.274 79 S C 0.628 175.195 174.600 -0.056 0.000 1.329 79 S CA -0.255 57.922 58.200 -0.039 0.000 1.036 79 S CB 1.154 64.335 63.200 -0.032 0.000 0.919 79 S HN 1.114 nan 8.310 nan 0.000 0.515 80 A N 2.531 125.313 122.820 -0.063 0.000 2.598 80 A HA -0.027 4.290 4.320 -0.004 0.000 0.239 80 A C 1.235 178.743 177.584 -0.127 0.000 1.032 80 A CA 0.403 52.378 52.037 -0.104 0.000 0.760 80 A CB -0.028 18.926 19.000 -0.077 0.000 0.946 80 A HN 0.922 nan 8.150 nan 0.000 0.512 81 R N 0.585 120.943 120.500 -0.237 0.000 2.246 81 R HA 0.110 4.447 4.340 -0.004 0.000 0.199 81 R C -0.058 176.173 176.300 -0.115 0.000 0.984 81 R CA 1.261 57.247 56.100 -0.191 0.000 1.015 81 R CB 0.013 30.194 30.300 -0.199 0.000 0.930 81 R HN 1.067 nan 8.270 nan 0.000 0.475 82 H N -3.737 115.330 119.070 -0.005 0.000 2.876 82 H HA 0.035 4.589 4.556 -0.004 0.000 0.284 82 H C 0.224 175.549 175.328 -0.004 0.000 1.445 82 H CA -0.786 55.258 56.048 -0.007 0.000 1.141 82 H CB 0.185 29.939 29.762 -0.013 0.000 1.816 82 H HN -0.172 nan 8.280 nan 0.000 0.511 83 E N -0.153 120.181 120.200 0.223 0.000 2.331 83 E HA -0.163 4.185 4.350 -0.004 0.000 0.199 83 E C 0.096 176.791 176.600 0.158 0.000 1.008 83 E CA 1.043 57.522 56.400 0.133 0.000 0.843 83 E CB -0.116 29.631 29.700 0.077 0.000 0.761 83 E HN 0.556 nan 8.360 nan 0.000 0.507 84 Q N 1.038 121.039 119.800 0.335 0.000 2.211 84 Q HA 0.269 4.607 4.340 -0.004 0.000 0.231 84 Q C -0.783 175.306 176.000 0.149 0.000 0.865 84 Q CA 0.104 56.041 55.803 0.224 0.000 0.997 84 Q CB 0.412 29.265 28.738 0.191 0.000 1.101 84 Q HN 0.216 nan 8.270 nan 0.000 0.468 85 D N -0.133 120.273 120.400 0.009 0.000 2.559 85 D HA 0.624 5.262 4.640 -0.004 0.000 0.250 85 D C -0.675 175.590 176.300 -0.059 0.000 1.135 85 D CA -0.641 53.288 54.000 -0.119 0.000 0.955 85 D CB 1.783 42.320 40.800 -0.438 0.000 1.442 85 D HN 0.052 nan 8.370 nan 0.000 0.471 86 I N -2.364 118.179 120.570 -0.046 0.000 3.343 86 I HA 0.599 4.767 4.170 -0.004 0.000 0.315 86 I C -0.949 175.147 176.117 -0.036 0.000 1.153 86 I CA -1.026 60.259 61.300 -0.025 0.000 0.952 86 I CB 1.688 39.690 38.000 0.003 0.000 1.287 86 I HN -0.008 nan 8.210 nan 0.000 0.472 87 D N 1.918 122.300 120.400 -0.029 0.000 2.345 87 D HA 0.304 4.942 4.640 -0.004 0.000 0.247 87 D C -0.764 175.519 176.300 -0.029 0.000 1.108 87 D CA 0.352 54.332 54.000 -0.033 0.000 0.894 87 D CB 1.201 41.983 40.800 -0.031 0.000 1.203 87 D HN 0.581 nan 8.370 nan 0.000 0.430 88 E N 0.688 120.870 120.200 -0.029 0.000 2.224 88 E HA 0.420 4.768 4.350 -0.004 0.000 0.265 88 E C -1.257 175.322 176.600 -0.035 0.000 0.878 88 E CA -0.587 55.796 56.400 -0.029 0.000 0.759 88 E CB 1.382 31.076 29.700 -0.011 0.000 1.164 88 E HN 0.223 nan 8.360 nan 0.000 0.414 89 S N 3.382 119.053 115.700 -0.047 0.000 2.704 89 S HA 0.459 4.927 4.470 -0.004 0.000 0.305 89 S C 0.073 174.642 174.600 -0.053 0.000 1.107 89 S CA -0.362 57.808 58.200 -0.050 0.000 0.993 89 S CB 0.751 63.917 63.200 -0.057 0.000 1.110 89 S HN 0.759 nan 8.310 nan 0.000 0.534 90 M N 0.880 120.450 119.600 -0.050 0.000 2.537 90 M HA -0.155 4.323 4.480 -0.004 0.000 0.205 90 M C -1.220 175.056 176.300 -0.040 0.000 0.450 90 M CA 0.663 55.933 55.300 -0.050 0.000 0.553 90 M CB -2.406 30.159 32.600 -0.059 0.000 2.046 90 M HN 0.469 nan 8.290 nan 0.000 0.797 91 L N 0.572 121.776 121.223 -0.031 0.000 2.307 91 L HA 0.467 4.804 4.340 -0.004 0.000 0.282 91 L C -1.802 175.059 176.870 -0.015 0.000 1.051 91 L CA -1.826 53.003 54.840 -0.019 0.000 0.804 91 L CB 1.297 43.350 42.059 -0.010 0.000 1.197 91 L HN -0.101 nan 8.230 nan 0.000 0.431 92 P HA 0.043 nan 4.420 nan 0.000 0.271 92 P C 0.191 177.496 177.300 0.009 0.000 1.226 92 P CA -0.026 63.074 63.100 -0.000 0.000 0.765 92 P CB 1.216 32.919 31.700 0.005 0.000 0.835 93 A N 3.652 126.476 122.820 0.007 0.000 2.024 93 A HA -0.184 4.133 4.320 -0.004 0.000 0.220 93 A C 1.895 179.490 177.584 0.019 0.000 1.164 93 A CA 2.355 54.395 52.037 0.005 0.000 0.643 93 A CB -1.671 17.324 19.000 -0.007 0.000 0.806 93 A HN 0.578 nan 8.150 nan 0.000 0.451 94 T N -3.107 111.473 114.554 0.043 0.000 3.035 94 T HA -0.057 4.291 4.350 -0.004 0.000 0.268 94 T C 1.313 176.050 174.700 0.062 0.000 1.109 94 T CA 1.815 63.956 62.100 0.067 0.000 1.119 94 T CB -0.615 68.308 68.868 0.091 0.000 0.900 94 T HN 0.652 nan 8.240 nan 0.000 0.503 95 T N -1.474 113.110 114.554 0.050 0.000 3.091 95 T HA 0.435 4.783 4.350 -0.004 0.000 0.277 95 T C 0.165 174.897 174.700 0.052 0.000 0.996 95 T CA -0.476 61.659 62.100 0.058 0.000 0.897 95 T CB -0.034 68.865 68.868 0.053 0.000 1.109 95 T HN 0.161 nan 8.240 nan 0.000 0.534 96 V N 5.303 125.242 119.914 0.040 0.000 2.432 96 V HA 0.397 4.514 4.120 -0.004 0.000 0.271 96 V C -2.149 173.975 176.094 0.050 0.000 1.046 96 V CA -2.026 60.298 62.300 0.040 0.000 0.945 96 V CB 1.158 32.994 31.823 0.021 0.000 0.992 96 V HN 0.332 nan 8.190 nan 0.000 0.471 97 P HA 0.200 nan 4.420 nan 0.000 0.281 97 P C -0.438 176.908 177.300 0.076 0.000 1.252 97 P CA -0.139 63.018 63.100 0.095 0.000 0.778 97 P CB 1.358 33.146 31.700 0.147 0.000 0.895 98 V N 4.527 124.480 119.914 0.064 0.000 2.572 98 V HA 0.184 4.302 4.120 -0.004 0.000 0.291 98 V C 1.120 177.247 176.094 0.054 0.000 1.039 98 V CA 0.644 62.968 62.300 0.041 0.000 1.055 98 V CB 0.377 32.215 31.823 0.024 0.000 0.969 98 V HN 0.760 nan 8.190 nan 0.000 0.482 99 T N 1.274 115.850 114.554 0.037 0.000 2.924 99 T HA 0.543 4.891 4.350 -0.004 0.000 0.291 99 T C -0.423 174.288 174.700 0.019 0.000 1.045 99 T CA -0.900 61.222 62.100 0.037 0.000 1.015 99 T CB 1.743 70.633 68.868 0.037 0.000 1.103 99 T HN 0.537 nan 8.240 nan 0.000 0.496 100 E N 1.064 121.275 120.200 0.019 0.000 2.558 100 E HA 0.089 4.436 4.350 -0.004 0.000 0.255 100 E C -0.079 176.523 176.600 0.003 0.000 0.968 100 E CA 0.814 57.219 56.400 0.008 0.000 0.939 100 E CB -0.478 29.229 29.700 0.011 0.000 0.921 100 E HN 0.669 nan 8.360 nan 0.000 0.477 101 D N 1.322 121.717 120.400 -0.008 0.000 3.012 101 D HA -0.239 4.398 4.640 -0.004 0.000 0.222 101 D C -0.214 176.079 176.300 -0.011 0.000 1.167 101 D CA 0.585 54.579 54.000 -0.010 0.000 0.854 101 D CB -1.512 39.285 40.800 -0.004 0.000 1.107 101 D HN 0.381 nan 8.370 nan 0.000 0.421 102 L N 1.031 122.248 121.223 -0.011 0.000 2.506 102 L HA 0.190 4.528 4.340 -0.004 0.000 0.281 102 L C 0.457 177.315 176.870 -0.020 0.000 1.228 102 L CA 0.528 55.360 54.840 -0.013 0.000 0.850 102 L CB 0.503 42.557 42.059 -0.008 0.000 1.110 102 L HN 0.171 nan 8.230 nan 0.000 0.496 103 N N 3.491 122.178 118.700 -0.022 0.000 2.346 103 N HA 0.712 5.449 4.740 -0.004 0.000 0.289 103 N C -1.677 173.818 175.510 -0.026 0.000 1.027 103 N CA -0.223 52.813 53.050 -0.024 0.000 0.864 103 N CB 1.726 40.199 38.487 -0.023 0.000 1.370 103 N HN 0.839 nan 8.380 nan 0.000 0.481 104 A N 2.098 124.902 122.820 -0.027 0.000 2.515 104 A HA 0.722 5.039 4.320 -0.004 0.000 0.296 104 A C -1.051 176.515 177.584 -0.030 0.000 1.094 104 A CA -0.495 51.526 52.037 -0.028 0.000 0.718 104 A CB 1.740 20.724 19.000 -0.027 0.000 1.307 104 A HN 0.494 nan 8.150 nan 0.000 0.408 105 T N 1.612 116.148 114.554 -0.031 0.000 2.841 105 T HA 0.501 4.849 4.350 -0.004 0.000 0.285 105 T C -0.465 174.214 174.700 -0.035 0.000 0.991 105 T CA -0.265 61.816 62.100 -0.032 0.000 0.966 105 T CB 0.824 69.673 68.868 -0.032 0.000 0.962 105 T HN 0.487 nan 8.240 nan 0.000 0.438 106 L N 3.743 124.944 121.223 -0.037 0.000 2.367 106 L HA 0.415 4.752 4.340 -0.004 0.000 0.275 106 L C -0.050 176.794 176.870 -0.045 0.000 1.129 106 L CA -0.419 54.396 54.840 -0.041 0.000 0.839 106 L CB 0.364 42.398 42.059 -0.042 0.000 1.133 106 L HN 0.403 nan 8.230 nan 0.000 0.453 107 L N 2.083 123.276 121.223 -0.049 0.000 2.365 107 L HA 0.386 4.723 4.340 -0.004 0.000 0.267 107 L C 0.539 177.368 176.870 -0.069 0.000 1.033 107 L CA -0.376 54.429 54.840 -0.057 0.000 0.802 107 L CB 1.526 43.550 42.059 -0.058 0.000 1.267 107 L HN 0.479 nan 8.230 nan 0.000 0.457 108 S N 0.317 115.969 115.700 -0.080 0.000 2.383 108 S HA 0.348 4.815 4.470 -0.004 0.000 0.227 108 S C 0.773 175.293 174.600 -0.134 0.000 1.261 108 S CA 0.249 58.388 58.200 -0.101 0.000 1.262 108 S CB 0.450 63.595 63.200 -0.093 0.000 0.992 108 S HN 1.023 nan 8.310 nan 0.000 0.491 109 G N 1.168 109.894 108.800 -0.123 0.000 2.184 109 G HA2 -0.228 3.729 3.960 -0.004 0.000 0.264 109 G HA3 -0.228 3.729 3.960 -0.004 0.000 0.264 109 G C -0.315 174.509 174.900 -0.127 0.000 0.975 109 G CA 0.310 45.326 45.100 -0.140 0.000 0.642 109 G HN 0.543 nan 8.290 nan 0.000 0.536 110 L N 0.874 122.034 121.223 -0.105 0.000 2.409 110 L HA 0.815 5.152 4.340 -0.004 0.000 0.272 110 L C 0.617 177.446 176.870 -0.068 0.000 0.980 110 L CA -0.058 54.732 54.840 -0.084 0.000 0.826 110 L CB 1.464 43.473 42.059 -0.083 0.000 1.268 110 L HN 0.415 nan 8.230 nan 0.000 0.407 111 G N 3.123 111.886 108.800 -0.063 0.000 2.535 111 G HA2 0.608 4.566 3.960 -0.004 0.000 0.303 111 G HA3 0.608 4.566 3.960 -0.004 0.000 0.303 111 G C -1.403 173.464 174.900 -0.055 0.000 1.237 111 G CA -0.523 44.540 45.100 -0.060 0.000 0.986 111 G HN 0.467 nan 8.290 nan 0.000 0.494 112 V N 0.460 120.341 119.914 -0.054 0.000 2.525 112 V HA 0.309 4.427 4.120 -0.004 0.000 0.299 112 V C -0.181 175.880 176.094 -0.055 0.000 1.034 112 V CA -0.488 61.782 62.300 -0.049 0.000 0.863 112 V CB 1.502 33.301 31.823 -0.040 0.000 0.999 112 V HN 0.543 nan 8.190 nan 0.000 0.423 113 L N 3.869 125.056 121.223 -0.059 0.000 2.319 113 L HA 0.384 4.722 4.340 -0.004 0.000 0.280 113 L C 0.340 177.181 176.870 -0.048 0.000 1.099 113 L CA -0.242 54.557 54.840 -0.068 0.000 0.828 113 L CB 0.823 42.834 42.059 -0.081 0.000 1.150 113 L HN 0.585 nan 8.230 nan 0.000 0.442 114 D N 6.002 126.376 120.400 -0.043 0.000 2.371 114 D HA 0.063 4.701 4.640 -0.004 0.000 0.256 114 D C -1.202 175.085 176.300 -0.021 0.000 1.193 114 D CA -1.461 52.522 54.000 -0.028 0.000 0.881 114 D CB 1.421 42.207 40.800 -0.023 0.000 1.143 114 D HN 0.318 nan 8.370 nan 0.000 0.473 115 P HA -0.059 nan 4.420 nan 0.000 0.226 115 P C 0.120 177.420 177.300 0.000 0.000 1.153 115 P CA 0.215 63.310 63.100 -0.008 0.000 0.777 115 P CB 0.067 31.763 31.700 -0.006 0.000 0.794 116 T N 1.804 116.359 114.554 0.001 0.000 2.888 116 T HA 0.042 4.390 4.350 -0.004 0.000 0.301 116 T C 0.387 175.097 174.700 0.017 0.000 1.001 116 T CA -0.095 62.010 62.100 0.009 0.000 1.147 116 T CB 0.729 69.601 68.868 0.007 0.000 0.931 116 T HN 0.081 nan 8.240 nan 0.000 0.541 117 K N 2.721 123.136 120.400 0.024 0.000 2.451 117 K HA -0.034 4.284 4.320 -0.004 0.000 0.280 117 K C -0.032 176.597 176.600 0.048 0.000 1.020 117 K CA -0.366 55.943 56.287 0.036 0.000 1.008 117 K CB 0.368 32.890 32.500 0.037 0.000 0.917 117 K HN 0.493 nan 8.250 nan 0.000 0.478 118 D N 5.639 126.080 120.400 0.068 0.000 2.339 118 D HA 0.064 4.701 4.640 -0.004 0.000 0.256 118 D C -1.438 174.926 176.300 0.105 0.000 1.214 118 D CA -2.026 52.033 54.000 0.097 0.000 0.877 118 D CB 1.339 42.230 40.800 0.152 0.000 1.111 118 D HN 0.421 nan 8.370 nan 0.000 0.478 119 P HA 0.150 nan 4.420 nan 0.000 0.251 119 P C 0.129 177.465 177.300 0.061 0.000 1.223 119 P CA -0.195 62.949 63.100 0.073 0.000 0.796 119 P CB 0.275 32.012 31.700 0.062 0.000 1.068 120 A N 0.607 123.443 122.820 0.026 0.000 2.507 120 A HA 0.055 4.373 4.320 -0.004 0.000 0.235 120 A C -0.585 176.868 177.584 -0.219 0.000 1.070 120 A CA 0.011 51.970 52.037 -0.130 0.000 0.768 120 A CB -0.520 18.299 19.000 -0.303 0.000 1.011 120 A HN 0.242 nan 8.150 nan 0.000 0.502 121 Y N 1.206 121.292 120.300 -0.357 0.000 2.326 121 Y HA 0.551 5.099 4.550 -0.004 0.000 0.337 121 Y C -1.196 174.475 175.900 -0.381 0.000 1.023 121 Y CA -0.006 57.957 58.100 -0.228 0.000 1.143 121 Y CB 0.801 39.198 38.460 -0.106 0.000 1.183 121 Y HN 0.559 nan 8.280 nan 0.000 0.485 122 Y N 4.489 124.641 120.300 -0.246 0.000 2.442 122 Y HA 0.432 4.980 4.550 -0.004 0.000 0.344 122 Y C -0.734 175.076 175.900 -0.149 0.000 0.976 122 Y CA -1.072 56.988 58.100 -0.068 0.000 1.040 122 Y CB 1.729 40.197 38.460 0.013 0.000 1.228 122 Y HN 0.674 nan 8.280 nan 0.000 0.451 123 D N -0.985 119.547 120.400 0.220 0.000 2.664 123 D HA 0.386 5.024 4.640 -0.004 0.000 0.292 123 D C -1.387 175.142 176.300 0.381 0.000 1.214 123 D CA -0.725 53.395 54.000 0.200 0.000 0.932 123 D CB 1.280 42.159 40.800 0.132 0.000 1.420 123 D HN 0.656 nan 8.370 nan 0.000 0.471 124 H N -1.850 117.217 119.070 -0.005 0.000 2.797 124 H HA 0.671 5.224 4.556 -0.004 0.000 0.372 124 H C -0.712 174.499 175.328 -0.195 0.000 1.168 124 H CA -1.402 54.604 56.048 -0.070 0.000 1.163 124 H CB 2.567 32.341 29.762 0.019 0.000 1.778 124 H HN 0.409 nan 8.280 nan 0.000 0.551 125 V N -0.819 118.914 119.914 -0.301 0.000 2.962 125 V HA 0.458 4.575 4.120 -0.004 0.000 0.313 125 V C -1.183 174.674 176.094 -0.394 0.000 1.099 125 V CA -0.935 61.143 62.300 -0.370 0.000 0.971 125 V CB 2.140 33.502 31.823 -0.768 0.000 1.028 125 V HN 0.773 nan 8.190 nan 0.000 0.430 126 H N 2.348 121.385 119.070 -0.053 0.000 2.727 126 H HA 0.817 5.371 4.556 -0.004 0.000 0.330 126 H C -0.175 175.202 175.328 0.081 0.000 0.986 126 H CA -0.268 55.804 56.048 0.039 0.000 1.251 126 H CB 1.823 31.600 29.762 0.025 0.000 1.493 126 H HN 0.983 nan 8.280 nan 0.000 0.515 127 V N 0.029 120.057 119.914 0.189 0.000 3.130 127 V HA 0.635 4.753 4.120 -0.004 0.000 0.310 127 V C -0.701 175.496 176.094 0.173 0.000 1.158 127 V CA -0.909 61.533 62.300 0.235 0.000 1.029 127 V CB 2.323 34.307 31.823 0.267 0.000 1.057 127 V HN 0.699 nan 8.190 nan 0.000 0.436 128 H N 0.089 119.230 119.070 0.120 0.000 2.616 128 H HA 0.899 5.453 4.556 -0.004 0.000 0.353 128 H C -0.133 175.243 175.328 0.079 0.000 1.170 128 H CA 0.238 56.346 56.048 0.099 0.000 1.212 128 H CB 2.012 31.831 29.762 0.095 0.000 1.653 128 H HN 1.084 nan 8.280 nan 0.000 0.537 129 T N -0.150 114.502 114.554 0.164 0.000 2.853 129 T HA 0.145 4.493 4.350 -0.004 0.000 0.311 129 T C 0.015 174.761 174.700 0.077 0.000 1.307 129 T CA -0.629 61.524 62.100 0.089 0.000 1.019 129 T CB 1.130 70.019 68.868 0.036 0.000 1.264 129 T HN 0.575 nan 8.240 nan 0.000 0.497 130 D N 0.713 121.134 120.400 0.034 0.000 2.162 130 D HA 0.133 4.771 4.640 -0.004 0.000 0.205 130 D C 0.440 176.758 176.300 0.030 0.000 0.964 130 D CA 1.199 55.230 54.000 0.050 0.000 0.847 130 D CB 0.396 41.197 40.800 0.000 0.000 0.988 130 D HN 0.278 nan 8.370 nan 0.000 0.480 131 V N 1.799 121.701 119.914 -0.020 0.000 2.569 131 V HA 0.243 4.360 4.120 -0.004 0.000 0.301 131 V C -0.813 175.254 176.094 -0.046 0.000 1.044 131 V CA -0.947 61.335 62.300 -0.029 0.000 0.874 131 V CB 2.489 34.274 31.823 -0.063 0.000 1.002 131 V HN -0.058 nan 8.190 nan 0.000 0.424 132 L N 6.773 127.975 121.223 -0.035 0.000 2.282 132 L HA 0.765 5.103 4.340 -0.004 0.000 0.288 132 L C -0.579 176.252 176.870 -0.065 0.000 1.033 132 L CA 0.064 54.868 54.840 -0.060 0.000 0.807 132 L CB 1.686 43.709 42.059 -0.059 0.000 1.209 132 L HN 0.436 nan 8.230 nan 0.000 0.423 133 V N 6.075 125.936 119.914 -0.089 0.000 2.384 133 V HA 0.457 4.574 4.120 -0.004 0.000 0.287 133 V C -0.366 175.668 176.094 -0.099 0.000 1.020 133 V CA -0.671 61.575 62.300 -0.089 0.000 0.850 133 V CB 1.743 33.503 31.823 -0.106 0.000 0.987 133 V HN 0.542 nan 8.190 nan 0.000 0.436 134 V N 4.112 123.970 119.914 -0.093 0.000 2.350 134 V HA 0.900 5.017 4.120 -0.004 0.000 0.276 134 V C 0.555 176.589 176.094 -0.101 0.000 1.028 134 V CA 0.221 62.458 62.300 -0.105 0.000 0.860 134 V CB 0.774 32.525 31.823 -0.120 0.000 0.990 134 V HN 1.274 nan 8.190 nan 0.000 0.453 135 G N 4.042 112.788 108.800 -0.089 0.000 3.233 135 G HA2 0.326 4.283 3.960 -0.004 0.000 0.686 135 G HA3 0.326 4.283 3.960 -0.004 0.000 0.686 135 G C -0.223 174.639 174.900 -0.063 0.000 1.153 135 G CA -0.256 44.801 45.100 -0.072 0.000 0.853 135 G HN 1.486 nan 8.290 nan 0.000 0.582 136 A N 1.636 124.433 122.820 -0.039 0.000 2.827 136 A HA 0.789 5.106 4.320 -0.004 0.000 0.300 136 A C 1.362 178.943 177.584 -0.005 0.000 1.237 136 A CA 1.108 53.121 52.037 -0.040 0.000 0.964 136 A CB -0.166 18.823 19.000 -0.019 0.000 1.143 136 A HN 2.118 nan 8.150 nan 0.000 0.554 137 G N 0.298 109.095 108.800 -0.004 0.000 2.508 137 G HA2 0.414 4.372 3.960 -0.004 0.000 0.278 137 G HA3 0.414 4.372 3.960 -0.004 0.000 0.278 137 G C -0.779 174.152 174.900 0.051 0.000 1.389 137 G CA -0.637 44.472 45.100 0.014 0.000 1.050 137 G HN 0.117 nan 8.290 nan 0.000 0.522 138 P HA -0.128 nan 4.420 nan 0.000 0.216 138 P C 1.826 179.173 177.300 0.078 0.000 1.150 138 P CA 2.032 65.189 63.100 0.095 0.000 0.837 138 P CB 0.033 31.700 31.700 -0.055 0.000 0.786 139 A N 0.583 123.407 122.820 0.008 0.000 1.873 139 A HA -0.031 4.286 4.320 -0.004 0.000 0.215 139 A C 2.665 180.247 177.584 -0.003 0.000 1.186 139 A CA 2.069 54.101 52.037 -0.008 0.000 0.616 139 A CB -1.912 17.064 19.000 -0.040 0.000 0.823 139 A HN 0.294 nan 8.150 nan 0.000 0.442 140 G N -0.448 108.340 108.800 -0.020 0.000 2.408 140 G HA2 -0.094 3.863 3.960 -0.004 0.000 0.217 140 G HA3 -0.094 3.863 3.960 -0.004 0.000 0.217 140 G C 1.564 176.429 174.900 -0.058 0.000 1.150 140 G CA 0.924 45.995 45.100 -0.049 0.000 0.776 140 G HN 0.407 nan 8.290 nan 0.000 0.542 141 L N 0.581 121.793 121.223 -0.018 0.000 2.017 141 L HA -0.057 4.280 4.340 -0.004 0.000 0.208 141 L C 3.412 180.274 176.870 -0.014 0.000 1.073 141 L CA 1.088 55.894 54.840 -0.057 0.000 0.745 141 L CB -0.365 41.699 42.059 0.009 0.000 0.894 141 L HN 0.305 nan 8.230 nan 0.000 0.432 142 A N -0.114 122.788 122.820 0.136 0.000 1.902 142 A HA -0.181 4.137 4.320 -0.004 0.000 0.217 142 A C 2.514 180.108 177.584 0.016 0.000 1.181 142 A CA 1.754 53.874 52.037 0.138 0.000 0.623 142 A CB -0.751 18.344 19.000 0.158 0.000 0.818 142 A HN 0.412 nan 8.150 nan 0.000 0.443 143 A N -0.094 122.716 122.820 -0.017 0.000 1.877 143 A HA 0.130 4.448 4.320 -0.004 0.000 0.216 143 A C 2.529 180.063 177.584 -0.083 0.000 1.186 143 A CA 2.265 54.268 52.037 -0.056 0.000 0.620 143 A CB -1.099 17.861 19.000 -0.065 0.000 0.822 143 A HN 1.100 nan 8.150 nan 0.000 0.443 144 A N -0.588 122.169 122.820 -0.105 0.000 1.933 144 A HA -0.163 4.155 4.320 -0.004 0.000 0.218 144 A C 2.268 179.772 177.584 -0.133 0.000 1.175 144 A CA 1.727 53.682 52.037 -0.138 0.000 0.628 144 A CB -0.490 18.393 19.000 -0.196 0.000 0.814 144 A HN 0.555 nan 8.150 nan 0.000 0.444 145 R N -0.577 119.848 120.500 -0.125 0.000 2.066 145 R HA -0.129 4.209 4.340 -0.004 0.000 0.232 145 R C 1.763 178.015 176.300 -0.081 0.000 1.131 145 R CA 1.552 57.581 56.100 -0.119 0.000 0.955 145 R CB -0.150 30.077 30.300 -0.122 0.000 0.851 145 R HN 0.408 nan 8.270 nan 0.000 0.432 146 E N 0.142 120.307 120.200 -0.059 0.000 2.152 146 E HA -0.088 4.260 4.350 -0.004 0.000 0.192 146 E C 1.694 178.258 176.600 -0.059 0.000 0.983 146 E CA 1.121 57.493 56.400 -0.047 0.000 0.818 146 E CB -0.085 29.595 29.700 -0.034 0.000 0.758 146 E HN 0.440 nan 8.360 nan 0.000 0.467 147 A N 0.699 123.471 122.820 -0.080 0.000 1.930 147 A HA -0.090 4.228 4.320 -0.004 0.000 0.215 147 A C 2.378 179.898 177.584 -0.107 0.000 1.176 147 A CA 1.560 53.542 52.037 -0.091 0.000 0.632 147 A CB -0.489 18.447 19.000 -0.107 0.000 0.819 147 A HN 0.241 nan 8.150 nan 0.000 0.445 148 S N -0.381 115.253 115.700 -0.110 0.000 2.382 148 S HA -0.217 4.251 4.470 -0.004 0.000 0.228 148 S C 2.197 176.740 174.600 -0.095 0.000 1.027 148 S CA 1.529 59.659 58.200 -0.116 0.000 0.991 148 S CB -0.443 62.688 63.200 -0.115 0.000 0.823 148 S HN 0.601 nan 8.310 nan 0.000 0.469 149 R N 0.744 121.202 120.500 -0.071 0.000 2.127 149 R HA -0.088 4.249 4.340 -0.004 0.000 0.238 149 R C 2.276 178.560 176.300 -0.026 0.000 1.134 149 R CA 1.853 57.925 56.100 -0.045 0.000 0.975 149 R CB -0.559 29.721 30.300 -0.033 0.000 0.865 149 R HN 0.621 nan 8.270 nan 0.000 0.447 150 S N -1.357 114.328 115.700 -0.025 0.000 2.515 150 S HA 0.054 4.521 4.470 -0.004 0.000 0.231 150 S C 1.388 176.013 174.600 0.040 0.000 0.987 150 S CA 0.785 59.005 58.200 0.034 0.000 0.936 150 S CB 0.240 63.486 63.200 0.076 0.000 0.766 150 S HN 0.623 nan 8.310 nan 0.000 0.528 151 G N 0.572 109.321 108.800 -0.085 0.000 2.175 151 G HA2 -0.104 3.854 3.960 -0.004 0.000 0.244 151 G HA3 -0.104 3.854 3.960 -0.004 0.000 0.244 151 G C 0.310 174.905 174.900 -0.507 0.000 0.982 151 G CA 0.015 45.038 45.100 -0.129 0.000 0.641 151 G HN 1.285 nan 8.290 nan 0.000 0.527 152 A N 0.123 122.462 122.820 -0.802 0.000 2.406 152 A HA 0.651 4.968 4.320 -0.004 0.000 0.243 152 A C 0.835 178.058 177.584 -0.601 0.000 1.082 152 A CA 0.178 51.432 52.037 -1.305 0.000 0.786 152 A CB 0.242 18.769 19.000 -0.788 0.000 1.029 152 A HN 0.501 nan 8.150 nan 0.000 0.495 153 R N 0.085 120.308 120.500 -0.462 0.000 2.347 153 R HA 0.438 4.775 4.340 -0.004 0.000 0.304 153 R C -1.130 175.075 176.300 -0.158 0.000 1.072 153 R CA -0.045 55.932 56.100 -0.204 0.000 0.980 153 R CB 0.687 30.933 30.300 -0.090 0.000 0.986 153 R HN 0.450 nan 8.270 nan 0.000 0.448 154 V N 4.942 124.781 119.914 -0.126 0.000 2.789 154 V HA 0.467 4.584 4.120 -0.004 0.000 0.311 154 V C -0.252 175.787 176.094 -0.091 0.000 1.073 154 V CA -0.827 61.407 62.300 -0.111 0.000 0.921 154 V CB 2.245 33.991 31.823 -0.130 0.000 1.009 154 V HN 0.719 nan 8.190 nan 0.000 0.426 155 M N 4.833 124.376 119.600 -0.095 0.000 2.326 155 M HA 0.589 5.066 4.480 -0.004 0.000 0.306 155 M C -1.581 174.641 176.300 -0.129 0.000 1.054 155 M CA -0.653 54.580 55.300 -0.112 0.000 0.922 155 M CB 2.345 34.872 32.600 -0.123 0.000 1.632 155 M HN 0.482 nan 8.290 nan 0.000 0.436 156 L N 4.757 125.899 121.223 -0.135 0.000 2.316 156 L HA 0.659 4.996 4.340 -0.004 0.000 0.280 156 L C -1.969 174.848 176.870 -0.089 0.000 1.006 156 L CA -0.395 54.356 54.840 -0.149 0.000 0.836 156 L CB 1.047 42.940 42.059 -0.277 0.000 1.221 156 L HN 0.569 nan 8.230 nan 0.000 0.418 157 L N 4.647 125.804 121.223 -0.109 0.000 2.346 157 L HA 0.669 5.007 4.340 -0.004 0.000 0.276 157 L C -0.768 176.066 176.870 -0.061 0.000 1.006 157 L CA -0.212 54.564 54.840 -0.106 0.000 0.817 157 L CB 1.841 43.797 42.059 -0.172 0.000 1.272 157 L HN 0.676 nan 8.230 nan 0.000 0.421 158 D N -0.382 120.002 120.400 -0.027 0.000 2.947 158 D HA 0.227 4.864 4.640 -0.004 0.000 0.224 158 D C 0.396 176.701 176.300 0.007 0.000 1.230 158 D CA -0.366 53.631 54.000 -0.005 0.000 0.871 158 D CB 1.536 42.352 40.800 0.026 0.000 1.671 158 D HN 0.669 nan 8.370 nan 0.000 0.507 159 E N 2.393 122.611 120.200 0.031 0.000 2.418 159 E HA -0.019 4.329 4.350 -0.004 0.000 0.197 159 E C 0.159 176.787 176.600 0.048 0.000 1.026 159 E CA 0.336 56.771 56.400 0.058 0.000 0.862 159 E CB 0.367 30.136 29.700 0.115 0.000 0.799 159 E HN 0.267 nan 8.360 nan 0.000 0.518 160 R N -0.061 120.460 120.500 0.035 0.000 2.541 160 R HA 0.445 4.783 4.340 -0.004 0.000 0.263 160 R C 1.234 177.531 176.300 -0.005 0.000 1.112 160 R CA 0.172 56.289 56.100 0.029 0.000 1.170 160 R CB 0.537 30.856 30.300 0.031 0.000 1.167 160 R HN 0.077 nan 8.270 nan 0.000 0.582 161 A N 0.790 123.606 122.820 -0.008 0.000 1.933 161 A HA -0.141 4.176 4.320 -0.004 0.000 0.218 161 A C 0.452 178.002 177.584 -0.057 0.000 1.175 161 A CA 1.476 53.483 52.037 -0.050 0.000 0.628 161 A CB -0.482 18.507 19.000 -0.019 0.000 0.814 161 A HN 0.770 nan 8.150 nan 0.000 0.444 162 E N -2.006 118.178 120.200 -0.028 0.000 2.408 162 E HA 0.673 5.021 4.350 -0.004 0.000 0.275 162 E C -0.541 176.066 176.600 0.012 0.000 0.935 162 E CA -0.693 55.693 56.400 -0.023 0.000 0.775 162 E CB 1.440 31.125 29.700 -0.024 0.000 1.277 162 E HN 0.212 nan 8.360 nan 0.000 0.455 163 A N 0.272 123.120 122.820 0.046 0.000 2.406 163 A HA 0.546 4.864 4.320 -0.004 0.000 0.243 163 A C 1.092 178.703 177.584 0.044 0.000 1.082 163 A CA 0.680 52.766 52.037 0.083 0.000 0.786 163 A CB -0.280 18.814 19.000 0.157 0.000 1.029 163 A HN 1.372 nan 8.150 nan 0.000 0.495 164 G N -0.568 108.259 108.800 0.044 0.000 2.296 164 G HA2 0.307 4.265 3.960 -0.004 0.000 0.188 164 G HA3 0.307 4.265 3.960 -0.004 0.000 0.188 164 G C 1.654 176.575 174.900 0.034 0.000 1.000 164 G CA 0.698 45.831 45.100 0.054 0.000 0.672 164 G HN 2.767 nan 8.290 nan 0.000 0.483 165 G N -0.081 108.731 108.800 0.020 0.000 2.634 165 G HA2 -0.101 3.857 3.960 -0.004 0.000 0.309 165 G HA3 -0.101 3.857 3.960 -0.004 0.000 0.309 165 G C 1.490 176.391 174.900 0.001 0.000 1.265 165 G CA 2.801 47.907 45.100 0.011 0.000 0.998 165 G HN 1.985 nan 8.290 nan 0.000 0.551 166 T N -0.221 114.331 114.554 -0.004 0.000 3.118 166 T HA 0.318 4.666 4.350 -0.004 0.000 0.260 166 T C 2.452 177.137 174.700 -0.025 0.000 1.139 166 T CA 1.384 63.477 62.100 -0.012 0.000 1.085 166 T CB -0.028 68.835 68.868 -0.007 0.000 0.934 166 T HN 0.522 nan 8.240 nan 0.000 0.518 167 L N 0.228 121.440 121.223 -0.019 0.000 2.131 167 L HA 0.067 4.405 4.340 -0.004 0.000 0.210 167 L C 2.361 179.215 176.870 -0.026 0.000 1.092 167 L CA 1.073 55.901 54.840 -0.021 0.000 0.759 167 L CB -0.490 41.570 42.059 0.002 0.000 0.903 167 L HN 0.329 nan 8.230 nan 0.000 0.435 168 L N -0.698 120.506 121.223 -0.032 0.000 2.610 168 L HA -0.101 4.236 4.340 -0.004 0.000 0.232 168 L C 1.096 177.913 176.870 -0.088 0.000 1.149 168 L CA 0.448 55.253 54.840 -0.058 0.000 0.872 168 L CB -0.354 41.662 42.059 -0.071 0.000 0.992 168 L HN 0.273 nan 8.230 nan 0.000 0.447 169 D N -0.630 119.727 120.400 -0.072 0.000 2.349 169 D HA 0.033 4.670 4.640 -0.004 0.000 0.214 169 D C 1.190 177.463 176.300 -0.045 0.000 1.063 169 D CA 0.336 54.291 54.000 -0.075 0.000 0.847 169 D CB 0.532 41.295 40.800 -0.062 0.000 0.933 169 D HN 0.314 nan 8.370 nan 0.000 0.513 170 T N -2.755 111.776 114.554 -0.038 0.000 2.910 170 T HA 0.573 4.921 4.350 -0.004 0.000 0.279 170 T C 0.990 175.675 174.700 -0.025 0.000 0.989 170 T CA -0.666 61.418 62.100 -0.027 0.000 0.968 170 T CB 2.063 70.913 68.868 -0.029 0.000 1.135 170 T HN -0.154 nan 8.240 nan 0.000 0.562 171 A N -0.247 122.563 122.820 -0.018 0.000 2.302 171 A HA 0.655 4.973 4.320 -0.004 0.000 0.219 171 A C 1.237 178.811 177.584 -0.018 0.000 1.243 171 A CA 0.199 52.228 52.037 -0.015 0.000 0.856 171 A CB -1.440 17.556 19.000 -0.007 0.000 0.893 171 A HN 2.101 nan 8.150 nan 0.000 0.491 172 G N -0.753 108.033 108.800 -0.023 0.000 2.712 172 G HA2 0.052 4.010 3.960 -0.004 0.000 0.686 172 G HA3 0.052 4.010 3.960 -0.004 0.000 0.686 172 G C -0.925 173.954 174.900 -0.035 0.000 1.181 172 G CA -0.394 44.691 45.100 -0.025 0.000 0.762 172 G HN 0.458 nan 8.290 nan 0.000 0.641 173 E N 0.434 120.605 120.200 -0.048 0.000 2.393 173 E HA 0.490 4.838 4.350 -0.004 0.000 0.273 173 E C -0.642 175.909 176.600 -0.082 0.000 0.918 173 E CA -1.071 55.288 56.400 -0.069 0.000 0.773 173 E CB 1.605 31.248 29.700 -0.094 0.000 1.275 173 E HN 0.426 nan 8.360 nan 0.000 0.451 174 Q N 1.272 121.017 119.800 -0.091 0.000 2.267 174 Q HA 0.455 4.793 4.340 -0.004 0.000 0.255 174 Q C -0.602 175.296 176.000 -0.170 0.000 0.923 174 Q CA 0.122 55.867 55.803 -0.098 0.000 0.925 174 Q CB 1.130 29.825 28.738 -0.072 0.000 1.195 174 Q HN 0.455 nan 8.270 nan 0.000 0.417 175 I N 2.254 122.694 120.570 -0.217 0.000 2.512 175 I HA 0.108 4.275 4.170 -0.004 0.000 0.287 175 I C -0.457 175.492 176.117 -0.281 0.000 1.069 175 I CA -0.541 60.508 61.300 -0.417 0.000 1.056 175 I CB 1.846 39.309 38.000 -0.894 0.000 1.229 175 I HN 0.499 nan 8.210 nan 0.000 0.429 176 D N 5.111 125.395 120.400 -0.193 0.000 2.751 176 D HA -0.190 4.448 4.640 -0.004 0.000 0.233 176 D C 1.156 177.463 176.300 0.011 0.000 1.149 176 D CA 1.810 55.792 54.000 -0.030 0.000 0.682 176 D CB -0.799 40.075 40.800 0.122 0.000 1.068 176 D HN 1.169 nan 8.370 nan 0.000 0.429 177 G N -1.358 107.426 108.800 -0.026 0.000 2.155 177 G HA2 -0.352 3.606 3.960 -0.004 0.000 0.257 177 G HA3 -0.352 3.606 3.960 -0.004 0.000 0.257 177 G C 0.343 175.248 174.900 0.009 0.000 0.983 177 G CA 0.861 45.956 45.100 -0.009 0.000 0.676 177 G HN 0.461 nan 8.290 nan 0.000 0.528 178 M N 0.247 119.859 119.600 0.020 0.000 2.662 178 M HA 0.343 4.821 4.480 -0.004 0.000 0.310 178 M C -0.158 176.158 176.300 0.028 0.000 1.204 178 M CA -0.822 54.509 55.300 0.051 0.000 0.891 178 M CB 1.574 34.255 32.600 0.135 0.000 1.732 178 M HN 0.194 nan 8.290 nan 0.000 0.467 179 D N 0.864 121.285 120.400 0.035 0.000 2.425 179 D HA 0.013 4.650 4.640 -0.004 0.000 0.247 179 D C 0.803 177.136 176.300 0.056 0.000 1.147 179 D CA 0.218 54.231 54.000 0.022 0.000 0.879 179 D CB 1.146 41.958 40.800 0.020 0.000 1.179 179 D HN 0.767 nan 8.370 nan 0.000 0.456 180 S N 2.664 118.379 115.700 0.025 0.000 2.392 180 S HA -0.221 4.246 4.470 -0.004 0.000 0.232 180 S C 1.915 176.602 174.600 0.144 0.000 1.041 180 S CA 1.281 59.520 58.200 0.064 0.000 1.026 180 S CB -0.251 62.940 63.200 -0.016 0.000 0.845 180 S HN 0.465 nan 8.310 nan 0.000 0.465 181 S N 2.128 117.876 115.700 0.080 0.000 2.399 181 S HA 0.139 4.607 4.470 -0.004 0.000 0.231 181 S C 2.264 176.913 174.600 0.081 0.000 1.022 181 S CA 0.936 59.177 58.200 0.069 0.000 0.983 181 S CB -0.675 62.540 63.200 0.026 0.000 0.803 181 S HN 0.794 nan 8.310 nan 0.000 0.480 182 A N 0.051 122.925 122.820 0.091 0.000 1.929 182 A HA -0.053 4.265 4.320 -0.004 0.000 0.216 182 A C 1.792 179.448 177.584 0.119 0.000 1.176 182 A CA 0.956 53.040 52.037 0.078 0.000 0.628 182 A CB -0.894 18.146 19.000 0.067 0.000 0.816 182 A HN 0.703 nan 8.150 nan 0.000 0.444 183 W N 0.780 122.065 121.300 -0.026 0.000 2.358 183 W HA -0.158 4.500 4.660 -0.004 0.000 0.303 183 W C 1.668 178.169 176.519 -0.030 0.000 1.208 183 W CA 1.925 59.253 57.345 -0.028 0.000 1.274 183 W CB -0.189 29.252 29.460 -0.032 0.000 1.138 183 W HN 0.290 nan 8.180 nan 0.000 0.515 184 I N 0.480 121.162 120.570 0.186 0.000 2.179 184 I HA -0.334 3.833 4.170 -0.004 0.000 0.242 184 I C 2.540 178.578 176.117 -0.131 0.000 1.088 184 I CA 2.119 63.409 61.300 -0.017 0.000 1.357 184 I CB -0.799 37.264 38.000 0.104 0.000 1.051 184 I HN 0.082 nan 8.210 nan 0.000 0.409 185 E N 0.684 120.851 120.200 -0.055 0.000 2.085 185 E HA -0.330 4.017 4.350 -0.004 0.000 0.194 185 E C 2.216 178.748 176.600 -0.112 0.000 0.994 185 E CA 1.561 57.924 56.400 -0.060 0.000 0.801 185 E CB -0.069 29.616 29.700 -0.026 0.000 0.743 185 E HN 0.506 nan 8.360 nan 0.000 0.453 186 Q N 0.108 119.813 119.800 -0.157 0.000 2.079 186 Q HA -0.124 4.214 4.340 -0.004 0.000 0.200 186 Q C 2.181 178.008 176.000 -0.289 0.000 0.974 186 Q CA 1.456 57.143 55.803 -0.193 0.000 0.840 186 Q CB 0.178 28.806 28.738 -0.183 0.000 0.898 186 Q HN 0.229 nan 8.270 nan 0.000 0.430 187 V N 1.290 120.916 119.914 -0.480 0.000 2.358 187 V HA -0.244 3.873 4.120 -0.004 0.000 0.246 187 V C 2.575 178.489 176.094 -0.300 0.000 1.047 187 V CA 2.116 64.108 62.300 -0.514 0.000 1.035 187 V CB -1.003 30.314 31.823 -0.843 0.000 0.658 187 V HN 0.684 nan 8.190 nan 0.000 0.452 188 T N -2.614 111.810 114.554 -0.216 0.000 2.833 188 T HA -0.186 4.161 4.350 -0.004 0.000 0.269 188 T C 1.960 176.629 174.700 -0.053 0.000 1.054 188 T CA 1.764 63.818 62.100 -0.077 0.000 1.135 188 T CB -0.453 68.428 68.868 0.021 0.000 0.869 188 T HN 0.400 nan 8.240 nan 0.000 0.466 189 S N 1.639 117.289 115.700 -0.085 0.000 2.383 189 S HA -0.057 4.411 4.470 -0.004 0.000 0.227 189 S C 2.091 176.648 174.600 -0.072 0.000 1.026 189 S CA 1.142 59.303 58.200 -0.065 0.000 0.981 189 S CB -0.301 62.859 63.200 -0.066 0.000 0.818 189 S HN 0.676 nan 8.310 nan 0.000 0.472 190 E N 1.070 121.205 120.200 -0.108 0.000 2.110 190 E HA -0.077 4.271 4.350 -0.004 0.000 0.193 190 E C 1.956 178.501 176.600 -0.091 0.000 0.988 190 E CA 0.881 57.219 56.400 -0.103 0.000 0.804 190 E CB -0.277 29.342 29.700 -0.135 0.000 0.745 190 E HN 0.420 nan 8.360 nan 0.000 0.458 191 L N 0.502 121.663 121.223 -0.103 0.000 2.093 191 L HA -0.135 4.203 4.340 -0.004 0.000 0.208 191 L C 2.596 179.442 176.870 -0.040 0.000 1.085 191 L CA 0.857 55.644 54.840 -0.088 0.000 0.755 191 L CB -0.490 41.495 42.059 -0.124 0.000 0.904 191 L HN 0.143 nan 8.230 nan 0.000 0.435 192 A N -0.433 122.376 122.820 -0.018 0.000 1.902 192 A HA -0.186 4.132 4.320 -0.004 0.000 0.217 192 A C 2.241 179.813 177.584 -0.019 0.000 1.181 192 A CA 1.409 53.441 52.037 -0.007 0.000 0.623 192 A CB -0.327 18.669 19.000 -0.007 0.000 0.818 192 A HN 0.286 nan 8.150 nan 0.000 0.443 193 E N 0.126 120.308 120.200 -0.030 0.000 2.208 193 E HA 0.063 4.411 4.350 -0.004 0.000 0.193 193 E C 0.972 177.554 176.600 -0.030 0.000 0.988 193 E CA 0.693 57.076 56.400 -0.029 0.000 0.828 193 E CB -0.434 29.246 29.700 -0.033 0.000 0.763 193 E HN 0.508 nan 8.360 nan 0.000 0.478 194 A N 1.499 124.294 122.820 -0.040 0.000 2.451 194 A HA 0.066 4.384 4.320 -0.004 0.000 0.266 194 A C 0.847 178.409 177.584 -0.036 0.000 1.119 194 A CA -0.173 51.837 52.037 -0.045 0.000 0.786 194 A CB 0.179 19.141 19.000 -0.063 0.000 1.061 194 A HN -0.047 nan 8.150 nan 0.000 0.503 195 E N 1.713 121.896 120.200 -0.029 0.000 2.085 195 E HA -0.168 4.180 4.350 -0.004 0.000 0.194 195 E C 0.755 177.341 176.600 -0.023 0.000 0.994 195 E CA 1.675 58.064 56.400 -0.019 0.000 0.801 195 E CB 0.095 29.788 29.700 -0.012 0.000 0.743 195 E HN 0.704 nan 8.360 nan 0.000 0.453 196 E N 0.311 120.485 120.200 -0.044 0.000 2.394 196 E HA 0.124 4.472 4.350 -0.004 0.000 0.191 196 E C -0.447 176.113 176.600 -0.067 0.000 1.044 196 E CA 0.139 56.506 56.400 -0.055 0.000 0.939 196 E CB 0.554 30.199 29.700 -0.091 0.000 1.089 196 E HN 0.044 nan 8.360 nan 0.000 0.456 197 T N 0.855 115.375 114.554 -0.056 0.000 2.779 197 T HA 0.380 4.727 4.350 -0.004 0.000 0.280 197 T C -0.121 174.559 174.700 -0.034 0.000 0.987 197 T CA -0.311 61.752 62.100 -0.063 0.000 0.966 197 T CB 1.801 70.622 68.868 -0.078 0.000 0.933 197 T HN -0.191 nan 8.240 nan 0.000 0.442 198 T N 3.163 117.693 114.554 -0.039 0.000 2.792 198 T HA 0.346 4.694 4.350 -0.004 0.000 0.280 198 T C -0.792 173.894 174.700 -0.022 0.000 0.990 198 T CA -0.556 61.526 62.100 -0.030 0.000 0.960 198 T CB 0.536 69.375 68.868 -0.048 0.000 0.939 198 T HN 0.678 nan 8.240 nan 0.000 0.439 199 H N 3.981 122.972 119.070 -0.131 0.000 2.587 199 H HA 0.581 5.134 4.556 -0.004 0.000 0.325 199 H C -1.260 173.973 175.328 -0.157 0.000 1.012 199 H CA -1.030 54.933 56.048 -0.142 0.000 1.213 199 H CB 0.581 30.276 29.762 -0.112 0.000 1.431 199 H HN 0.397 nan 8.280 nan 0.000 0.492 200 L N 5.205 126.408 121.223 -0.033 0.000 2.343 200 L HA 0.308 4.646 4.340 -0.004 0.000 0.278 200 L C -0.278 176.509 176.870 -0.137 0.000 0.996 200 L CA -0.851 53.872 54.840 -0.194 0.000 0.831 200 L CB 1.721 43.569 42.059 -0.352 0.000 1.232 200 L HN 0.562 nan 8.230 nan 0.000 0.413 201 Q N 2.069 121.755 119.800 -0.190 0.000 2.185 201 Q HA 0.424 4.762 4.340 -0.004 0.000 0.225 201 Q C 0.258 176.206 176.000 -0.087 0.000 0.983 201 Q CA -0.564 55.167 55.803 -0.120 0.000 0.950 201 Q CB 1.182 29.824 28.738 -0.161 0.000 1.176 201 Q HN 0.410 nan 8.270 nan 0.000 0.510 202 R N -1.094 119.373 120.500 -0.055 0.000 3.741 202 R HA -0.131 4.207 4.340 -0.004 0.000 0.292 202 R C -0.619 175.685 176.300 0.007 0.000 1.176 202 R CA 0.861 56.945 56.100 -0.026 0.000 0.794 202 R CB -2.227 28.036 30.300 -0.062 0.000 1.213 202 R HN 0.430 nan 8.270 nan 0.000 0.494 203 T N 0.378 114.926 114.554 -0.009 0.000 2.809 203 T HA 0.326 4.673 4.350 -0.004 0.000 0.284 203 T C -0.069 174.645 174.700 0.023 0.000 0.992 203 T CA -0.423 61.672 62.100 -0.007 0.000 0.957 203 T CB 2.079 70.875 68.868 -0.119 0.000 0.942 203 T HN -0.034 nan 8.240 nan 0.000 0.439 204 T N 2.918 117.529 114.554 0.095 0.000 2.756 204 T HA 0.354 4.701 4.350 -0.004 0.000 0.290 204 T C 0.301 175.091 174.700 0.150 0.000 0.985 204 T CA -0.497 61.692 62.100 0.149 0.000 0.955 204 T CB 0.875 69.886 68.868 0.239 0.000 0.930 204 T HN 0.338 nan 8.240 nan 0.000 0.451 205 V N 6.202 126.140 119.914 0.040 0.000 2.387 205 V HA 0.121 4.238 4.120 -0.004 0.000 0.260 205 V C 0.838 176.955 176.094 0.039 0.000 1.054 205 V CA -0.040 62.224 62.300 -0.060 0.000 0.967 205 V CB -0.824 30.923 31.823 -0.128 0.000 1.036 205 V HN 0.942 nan 8.190 nan 0.000 0.481 206 F N 2.709 122.697 119.950 0.064 0.000 2.656 206 F HA 0.624 5.148 4.527 -0.005 0.000 0.291 206 F C 0.976 176.839 175.800 0.104 0.000 1.122 206 F CA -0.057 58.023 58.000 0.132 0.000 1.427 206 F CB -0.043 39.039 39.000 0.137 0.000 1.125 206 F HN 0.390 nan 8.300 nan 0.000 0.583 207 G N 0.070 108.720 108.800 -0.250 0.000 2.617 207 G HA2 0.464 4.421 3.960 -0.004 0.000 0.306 207 G HA3 0.464 4.421 3.960 -0.004 0.000 0.306 207 G C -1.693 172.963 174.900 -0.407 0.000 1.360 207 G CA -0.720 44.259 45.100 -0.202 0.000 0.983 207 G HN 0.155 nan 8.290 nan 0.000 0.496 208 S N 0.845 116.145 115.700 -0.666 0.000 2.659 208 S HA 0.759 5.226 4.470 -0.004 0.000 0.312 208 S C -1.152 173.062 174.600 -0.643 0.000 1.114 208 S CA -0.595 57.340 58.200 -0.442 0.000 1.063 208 S CB 0.257 63.311 63.200 -0.243 0.000 0.996 208 S HN 0.435 nan 8.310 nan 0.000 0.478 209 Y N 1.293 121.631 120.300 0.064 0.000 2.686 209 Y HA 0.423 4.970 4.550 -0.005 0.000 0.330 209 Y C 0.275 176.219 175.900 0.074 0.000 1.082 209 Y CA -1.330 56.821 58.100 0.085 0.000 1.158 209 Y CB 0.357 38.901 38.460 0.141 0.000 1.333 209 Y HN 0.499 nan 8.280 nan 0.000 0.519 210 D N 0.689 121.226 120.400 0.229 0.000 2.629 210 D HA 0.255 4.893 4.640 -0.004 0.000 0.228 210 D C 0.296 176.668 176.300 0.119 0.000 1.127 210 D CA 1.894 55.966 54.000 0.120 0.000 0.855 210 D CB 0.107 40.953 40.800 0.077 0.000 1.180 210 D HN 0.865 nan 8.370 nan 0.000 0.484 211 A N 3.522 126.388 122.820 0.078 0.000 2.745 211 A HA -0.378 3.940 4.320 -0.004 0.000 0.296 211 A C 0.637 178.286 177.584 0.107 0.000 1.500 211 A CA 1.013 53.096 52.037 0.077 0.000 0.766 211 A CB -2.225 16.816 19.000 0.068 0.000 1.030 211 A HN 0.916 nan 8.150 nan 0.000 0.489 212 N N -2.864 115.895 118.700 0.099 0.000 2.738 212 N HA -0.255 4.483 4.740 -0.004 0.000 0.249 212 N C -0.427 175.167 175.510 0.139 0.000 1.047 212 N CA 1.129 54.233 53.050 0.089 0.000 0.707 212 N CB -1.025 37.500 38.487 0.062 0.000 0.937 212 N HN 0.931 nan 8.380 nan 0.000 0.545 213 Y N 1.167 121.505 120.300 0.062 0.000 2.385 213 Y HA 0.540 5.088 4.550 -0.004 0.000 0.341 213 Y C -0.667 175.307 175.900 0.124 0.000 0.965 213 Y CA -0.570 57.578 58.100 0.080 0.000 1.180 213 Y CB 0.574 39.096 38.460 0.102 0.000 1.139 213 Y HN 0.065 nan 8.280 nan 0.000 0.502 214 L N 6.916 128.030 121.223 -0.181 0.000 2.354 214 L HA 0.610 4.948 4.340 -0.004 0.000 0.269 214 L C -0.874 175.778 176.870 -0.363 0.000 1.005 214 L CA -0.543 54.194 54.840 -0.172 0.000 0.819 214 L CB 2.099 44.064 42.059 -0.157 0.000 1.311 214 L HN 0.483 nan 8.230 nan 0.000 0.423 215 I N 1.627 121.952 120.570 -0.408 0.000 2.498 215 I HA 0.809 4.977 4.170 -0.004 0.000 0.290 215 I C -0.402 175.198 176.117 -0.861 0.000 1.032 215 I CA -0.624 60.279 61.300 -0.662 0.000 1.073 215 I CB 1.963 39.528 38.000 -0.725 0.000 1.251 215 I HN 0.678 nan 8.210 nan 0.000 0.426 216 A N 4.377 126.934 122.820 -0.438 0.000 2.423 216 A HA 0.951 5.269 4.320 -0.004 0.000 0.304 216 A C -0.919 176.796 177.584 0.219 0.000 1.104 216 A CA -0.716 51.247 52.037 -0.123 0.000 0.757 216 A CB 1.832 20.780 19.000 -0.087 0.000 1.313 216 A HN 0.798 nan 8.150 nan 0.000 0.423 217 A N 0.954 123.995 122.820 0.368 0.000 2.285 217 A HA 0.612 4.930 4.320 -0.004 0.000 0.310 217 A C -0.346 177.376 177.584 0.230 0.000 1.266 217 A CA -0.411 51.818 52.037 0.321 0.000 0.832 217 A CB 0.442 19.605 19.000 0.272 0.000 1.163 217 A HN 0.835 nan 8.150 nan 0.000 0.499 218 Q N 2.189 122.152 119.800 0.271 0.000 2.303 218 Q HA 0.430 4.768 4.340 -0.004 0.000 0.257 218 Q C -0.840 175.284 176.000 0.206 0.000 0.941 218 Q CA -0.765 55.163 55.803 0.208 0.000 0.931 218 Q CB 0.662 29.585 28.738 0.309 0.000 1.215 218 Q HN 0.570 nan 8.270 nan 0.000 0.437 219 R N 3.244 123.835 120.500 0.152 0.000 2.296 219 R HA 0.202 4.539 4.340 -0.004 0.000 0.327 219 R C 0.540 176.942 176.300 0.170 0.000 1.137 219 R CA 0.054 56.251 56.100 0.161 0.000 1.020 219 R CB 0.312 30.691 30.300 0.131 0.000 1.110 219 R HN 0.696 nan 8.270 nan 0.000 0.499 220 R N 0.036 120.655 120.500 0.198 0.000 2.080 220 R HA -0.002 4.336 4.340 -0.004 0.000 0.222 220 R C 0.779 177.232 176.300 0.256 0.000 1.107 220 R CA 1.559 57.784 56.100 0.209 0.000 0.980 220 R CB 0.361 30.773 30.300 0.185 0.000 0.879 220 R HN 0.549 nan 8.270 nan 0.000 0.439 221 T N -2.950 111.721 114.554 0.195 0.000 3.231 221 T HA 0.199 4.547 4.350 -0.004 0.000 0.292 221 T C 1.345 176.106 174.700 0.102 0.000 1.001 221 T CA -0.306 61.855 62.100 0.101 0.000 0.920 221 T CB 0.482 69.380 68.868 0.049 0.000 1.140 221 T HN -0.137 nan 8.240 nan 0.000 0.525 222 V N 2.573 122.614 119.914 0.211 0.000 2.515 222 V HA -0.108 4.010 4.120 -0.004 0.000 0.250 222 V C 2.505 178.698 176.094 0.165 0.000 1.058 222 V CA 1.777 64.180 62.300 0.172 0.000 1.064 222 V CB -0.904 31.022 31.823 0.171 0.000 0.675 222 V HN 0.830 nan 8.190 nan 0.000 0.461 223 H N -0.947 118.164 119.070 0.069 0.000 2.524 223 H HA 0.302 4.855 4.556 -0.004 0.000 0.280 223 H C 0.427 175.794 175.328 0.065 0.000 1.018 223 H CA -0.377 55.709 56.048 0.062 0.000 1.165 223 H CB -0.561 29.236 29.762 0.058 0.000 1.411 223 H HN 0.327 nan 8.280 nan 0.000 0.569 224 L N 1.155 122.189 121.223 -0.316 0.000 2.334 224 L HA 0.120 4.458 4.340 -0.004 0.000 0.277 224 L C 0.898 177.752 176.870 -0.028 0.000 1.075 224 L CA -0.556 54.143 54.840 -0.235 0.000 0.804 224 L CB 1.352 43.278 42.059 -0.221 0.000 1.174 224 L HN 0.002 nan 8.230 nan 0.000 0.438 225 D N 1.759 122.147 120.400 -0.019 0.000 2.149 225 D HA -0.002 4.635 4.640 -0.004 0.000 0.201 225 D C 0.814 177.168 176.300 0.089 0.000 0.972 225 D CA 0.865 54.889 54.000 0.040 0.000 0.835 225 D CB 0.333 41.142 40.800 0.015 0.000 0.966 225 D HN 0.689 nan 8.370 nan 0.000 0.476 226 G N 0.192 108.978 108.800 -0.023 0.000 2.735 226 G HA2 0.507 4.464 3.960 -0.004 0.000 0.301 226 G HA3 0.507 4.464 3.960 -0.004 0.000 0.301 226 G C -2.684 171.890 174.900 -0.543 0.000 1.279 226 G CA -1.067 43.928 45.100 -0.175 0.000 1.019 226 G HN -0.145 nan 8.290 nan 0.000 0.497 227 P HA 0.270 nan 4.420 nan 0.000 0.274 227 P C -0.271 176.842 177.300 -0.311 0.000 1.237 227 P CA -0.082 62.585 63.100 -0.722 0.000 0.793 227 P CB 1.508 32.914 31.700 -0.491 0.000 0.977 228 S N -0.175 115.400 115.700 -0.208 0.000 2.730 228 S HA 0.607 5.074 4.470 -0.004 0.000 0.284 228 S C 0.725 175.253 174.600 -0.119 0.000 1.153 228 S CA -0.449 57.672 58.200 -0.131 0.000 0.995 228 S CB 0.795 63.941 63.200 -0.090 0.000 1.058 228 S HN 0.672 nan 8.310 nan 0.000 0.552 229 G N 0.913 109.651 108.800 -0.105 0.000 2.667 229 G HA2 0.394 4.352 3.960 -0.004 0.000 0.250 229 G HA3 0.394 4.352 3.960 -0.004 0.000 0.250 229 G C -2.818 171.995 174.900 -0.144 0.000 1.212 229 G CA -0.982 44.054 45.100 -0.106 0.000 0.874 229 G HN 0.367 nan 8.290 nan 0.000 0.561 230 P HA 0.211 nan 4.420 nan 0.000 0.266 230 P C 0.887 177.985 177.300 -0.336 0.000 1.195 230 P CA 1.466 64.449 63.100 -0.195 0.000 0.768 230 P CB 0.882 32.507 31.700 -0.126 0.000 0.838 231 G N 1.303 109.708 108.800 -0.659 0.000 2.168 231 G HA2 -0.211 3.747 3.960 -0.004 0.000 0.257 231 G HA3 -0.211 3.747 3.960 -0.004 0.000 0.257 231 G C -0.010 174.365 174.900 -0.876 0.000 0.997 231 G CA -0.116 44.270 45.100 -1.188 0.000 0.708 231 G HN 0.505 nan 8.290 nan 0.000 0.520 232 V N 2.074 121.673 119.914 -0.525 0.000 2.333 232 V HA 0.556 4.674 4.120 -0.004 0.000 0.274 232 V C 0.963 177.039 176.094 -0.029 0.000 1.028 232 V CA -0.197 61.993 62.300 -0.184 0.000 0.851 232 V CB 1.272 33.028 31.823 -0.111 0.000 1.000 232 V HN 0.799 nan 8.190 nan 0.000 0.456 233 S N 4.983 120.788 115.700 0.174 0.000 2.562 233 S HA 0.236 4.703 4.470 -0.004 0.000 0.281 233 S C 1.067 175.736 174.600 0.115 0.000 1.333 233 S CA -0.381 57.978 58.200 0.266 0.000 1.052 233 S CB 1.259 64.643 63.200 0.306 0.000 0.884 233 S HN 0.750 nan 8.310 nan 0.000 0.506 234 R N 1.552 122.055 120.500 0.005 0.000 2.066 234 R HA 0.025 4.363 4.340 -0.004 0.000 0.232 234 R C 0.072 176.454 176.300 0.137 0.000 1.131 234 R CA 1.161 57.270 56.100 0.015 0.000 0.955 234 R CB 0.074 30.286 30.300 -0.147 0.000 0.851 234 R HN 0.857 nan 8.270 nan 0.000 0.432 235 E N -0.361 119.968 120.200 0.215 0.000 2.317 235 E HA 0.284 4.631 4.350 -0.004 0.000 0.270 235 E C -1.367 175.417 176.600 0.307 0.000 0.885 235 E CA -0.872 55.710 56.400 0.303 0.000 0.760 235 E CB 2.552 32.481 29.700 0.382 0.000 1.227 235 E HN 0.056 nan 8.360 nan 0.000 0.434 236 R N 2.991 123.647 120.500 0.260 0.000 2.561 236 R HA 0.386 4.723 4.340 -0.004 0.000 0.297 236 R C -1.210 175.174 176.300 0.139 0.000 0.969 236 R CA -0.616 55.595 56.100 0.185 0.000 0.879 236 R CB 0.850 31.252 30.300 0.170 0.000 1.178 236 R HN 0.383 nan 8.270 nan 0.000 0.445 237 I N 4.454 124.957 120.570 -0.111 0.000 2.304 237 I HA 0.232 4.400 4.170 -0.004 0.000 0.291 237 I C -0.631 175.318 176.117 -0.281 0.000 1.018 237 I CA -0.819 60.334 61.300 -0.245 0.000 1.260 237 I CB 0.606 38.135 38.000 -0.785 0.000 1.390 237 I HN 0.599 nan 8.210 nan 0.000 0.475 238 W N 5.454 126.612 121.300 -0.237 0.000 2.361 238 W HA 0.355 5.013 4.660 -0.005 0.000 0.309 238 W C 0.069 176.354 176.519 -0.391 0.000 1.122 238 W CA -0.226 56.997 57.345 -0.203 0.000 1.208 238 W CB 0.366 29.740 29.460 -0.142 0.000 1.246 238 W HN 0.382 nan 8.180 nan 0.000 0.490 239 H N 3.661 122.597 119.070 -0.223 0.000 2.581 239 H HA 0.474 5.027 4.556 -0.004 0.000 0.308 239 H C -0.351 174.777 175.328 -0.332 0.000 1.040 239 H CA -0.413 55.403 56.048 -0.387 0.000 1.231 239 H CB 0.621 30.188 29.762 -0.325 0.000 1.396 239 H HN 0.200 nan 8.280 nan 0.000 0.467 240 I N 2.858 123.217 120.570 -0.352 0.000 2.389 240 I HA 0.316 4.484 4.170 -0.004 0.000 0.288 240 I C -0.055 175.887 176.117 -0.291 0.000 0.999 240 I CA -0.884 60.286 61.300 -0.216 0.000 1.129 240 I CB 1.412 39.346 38.000 -0.110 0.000 1.288 240 I HN 0.305 nan 8.210 nan 0.000 0.444 241 R N 5.781 126.140 120.500 -0.235 0.000 2.239 241 R HA 0.682 5.020 4.340 -0.004 0.000 0.332 241 R C -1.009 175.248 176.300 -0.071 0.000 0.988 241 R CA -0.270 55.739 56.100 -0.151 0.000 0.859 241 R CB 0.975 31.085 30.300 -0.316 0.000 1.148 241 R HN 0.716 nan 8.270 nan 0.000 0.482 242 A N 4.183 127.002 122.820 -0.002 0.000 2.304 242 A HA 0.360 4.677 4.320 -0.004 0.000 0.323 242 A C 0.212 177.838 177.584 0.070 0.000 1.195 242 A CA -0.725 51.332 52.037 0.034 0.000 0.826 242 A CB 0.977 19.982 19.000 0.009 0.000 1.184 242 A HN 0.888 nan 8.150 nan 0.000 0.496 243 K N 0.474 120.930 120.400 0.093 0.000 2.026 243 K HA -0.062 4.256 4.320 -0.004 0.000 0.208 243 K C 0.125 176.783 176.600 0.096 0.000 1.048 243 K CA 1.152 57.501 56.287 0.104 0.000 0.929 243 K CB -0.003 32.571 32.500 0.124 0.000 0.713 243 K HN 0.696 nan 8.250 nan 0.000 0.439 244 Q N 0.203 120.060 119.800 0.094 0.000 2.372 244 Q HA 0.389 4.727 4.340 -0.004 0.000 0.273 244 Q C -1.233 174.827 176.000 0.099 0.000 1.078 244 Q CA -0.591 55.287 55.803 0.126 0.000 0.806 244 Q CB 2.721 31.559 28.738 0.166 0.000 1.332 244 Q HN -0.139 nan 8.270 nan 0.000 0.435 245 V N 1.522 121.513 119.914 0.130 0.000 2.540 245 V HA 0.493 4.610 4.120 -0.004 0.000 0.302 245 V C -0.408 175.763 176.094 0.128 0.000 1.035 245 V CA -0.774 61.573 62.300 0.078 0.000 0.873 245 V CB 2.150 33.989 31.823 0.027 0.000 0.992 245 V HN 0.515 nan 8.190 nan 0.000 0.428 246 V N 6.223 126.167 119.914 0.049 0.000 2.357 246 V HA 0.452 4.570 4.120 -0.004 0.000 0.284 246 V C -0.183 175.904 176.094 -0.011 0.000 1.018 246 V CA -0.458 61.867 62.300 0.041 0.000 0.841 246 V CB 1.540 33.350 31.823 -0.022 0.000 0.991 246 V HN 0.619 nan 8.190 nan 0.000 0.437 247 L N 4.479 125.695 121.223 -0.011 0.000 2.275 247 L HA 0.755 5.092 4.340 -0.004 0.000 0.288 247 L C 0.446 177.277 176.870 -0.065 0.000 1.046 247 L CA -0.290 54.517 54.840 -0.055 0.000 0.805 247 L CB 1.493 43.517 42.059 -0.059 0.000 1.193 247 L HN 0.742 nan 8.230 nan 0.000 0.426 248 A N 1.028 123.799 122.820 -0.082 0.000 3.410 248 A HA 0.302 4.620 4.320 -0.004 0.000 0.276 248 A C 0.653 178.180 177.584 -0.095 0.000 0.995 248 A CA -0.313 51.677 52.037 -0.079 0.000 0.934 248 A CB -0.025 18.937 19.000 -0.063 0.000 1.191 248 A HN 0.739 nan 8.150 nan 0.000 0.511 249 T N -2.358 112.122 114.554 -0.122 0.000 3.169 249 T HA 0.457 4.805 4.350 -0.004 0.000 0.250 249 T C 1.262 175.877 174.700 -0.142 0.000 1.111 249 T CA 0.901 62.908 62.100 -0.156 0.000 1.010 249 T CB -0.267 68.459 68.868 -0.236 0.000 0.984 249 T HN 2.121 nan 8.240 nan 0.000 0.537 250 G N 1.231 109.966 108.800 -0.108 0.000 2.598 250 G HA2 0.255 4.213 3.960 -0.004 0.000 0.244 250 G HA3 0.255 4.213 3.960 -0.004 0.000 0.244 250 G C -0.239 174.609 174.900 -0.087 0.000 1.302 250 G CA -0.340 44.707 45.100 -0.089 0.000 0.903 250 G HN 1.494 nan 8.290 nan 0.000 0.575 251 A N -1.086 121.712 122.820 -0.037 0.000 2.455 251 A HA 0.776 5.094 4.320 -0.004 0.000 0.300 251 A C -0.600 177.110 177.584 0.210 0.000 1.040 251 A CA -0.130 51.941 52.037 0.057 0.000 0.697 251 A CB 1.084 20.148 19.000 0.108 0.000 1.265 251 A HN 1.082 nan 8.150 nan 0.000 0.407 252 H N 0.776 120.012 119.070 0.277 0.000 2.548 252 H HA 0.324 4.877 4.556 -0.004 0.000 0.331 252 H C 0.276 175.772 175.328 0.281 0.000 1.093 252 H CA -0.163 56.045 56.048 0.267 0.000 1.367 252 H CB 1.249 31.155 29.762 0.241 0.000 1.455 252 H HN 0.846 nan 8.280 nan 0.000 0.519 253 E N 2.671 123.065 120.200 0.324 0.000 2.392 253 E HA 0.099 4.446 4.350 -0.004 0.000 0.256 253 E C -0.275 176.335 176.600 0.017 0.000 1.145 253 E CA -0.656 55.705 56.400 -0.065 0.000 0.929 253 E CB 0.711 30.328 29.700 -0.139 0.000 0.998 253 E HN 0.659 nan 8.360 nan 0.000 0.442 254 R N 1.973 122.430 120.500 -0.072 0.000 2.771 254 R HA 0.558 4.896 4.340 -0.004 0.000 0.274 254 R C -2.763 173.601 176.300 0.107 0.000 0.987 254 R CA -1.998 54.162 56.100 0.100 0.000 0.908 254 R CB 1.727 32.134 30.300 0.177 0.000 1.213 254 R HN 0.319 nan 8.270 nan 0.000 0.468 255 P HA 0.297 nan 4.420 nan 0.000 0.289 255 P C -0.489 176.951 177.300 0.233 0.000 1.299 255 P CA -0.508 62.753 63.100 0.267 0.000 0.766 255 P CB 0.922 32.844 31.700 0.369 0.000 1.226 256 I N -0.624 120.111 120.570 0.274 0.000 2.509 256 I HA 0.223 4.391 4.170 -0.004 0.000 0.293 256 I C -0.182 176.118 176.117 0.306 0.000 1.020 256 I CA -1.324 60.162 61.300 0.310 0.000 1.088 256 I CB 2.313 40.535 38.000 0.371 0.000 1.267 256 I HN -0.059 nan 8.210 nan 0.000 0.430 257 V N 7.199 127.288 119.914 0.290 0.000 2.405 257 V HA 0.307 4.425 4.120 -0.004 0.000 0.264 257 V C -0.378 175.910 176.094 0.323 0.000 1.048 257 V CA 0.060 62.496 62.300 0.226 0.000 0.966 257 V CB -0.401 31.586 31.823 0.273 0.000 1.015 257 V HN 0.575 nan 8.190 nan 0.000 0.477 258 F N 1.504 121.501 119.950 0.078 0.000 2.711 258 F HA 0.625 5.150 4.527 -0.004 0.000 0.313 258 F C -0.400 175.043 175.800 -0.596 0.000 1.141 258 F CA -1.670 56.219 58.000 -0.185 0.000 0.941 258 F CB 1.405 40.381 39.000 -0.041 0.000 1.349 258 F HN 0.316 nan 8.300 nan 0.000 0.464 259 E N 1.013 120.816 120.200 -0.662 0.000 2.417 259 E HA 0.143 4.490 4.350 -0.004 0.000 0.261 259 E C -0.460 176.146 176.600 0.010 0.000 1.000 259 E CA 0.624 56.778 56.400 -0.410 0.000 0.919 259 E CB -0.188 29.443 29.700 -0.115 0.000 0.955 259 E HN 0.772 nan 8.360 nan 0.000 0.455 260 N N 3.027 121.761 118.700 0.057 0.000 2.738 260 N HA -0.232 4.505 4.740 -0.004 0.000 0.249 260 N C -0.539 174.990 175.510 0.031 0.000 1.047 260 N CA 0.593 53.708 53.050 0.108 0.000 0.707 260 N CB -0.796 37.730 38.487 0.064 0.000 0.937 260 N HN 0.559 nan 8.380 nan 0.000 0.545 261 N N -0.004 118.560 118.700 -0.227 0.000 2.313 261 N HA -0.026 4.712 4.740 -0.004 0.000 0.207 261 N C 0.186 175.617 175.510 -0.131 0.000 1.141 261 N CA 0.338 53.063 53.050 -0.542 0.000 0.830 261 N CB 0.250 37.871 38.487 -1.443 0.000 1.008 261 N HN 0.508 nan 8.380 nan 0.000 0.481 262 D N -0.668 119.705 120.400 -0.046 0.000 2.433 262 D HA 0.031 4.669 4.640 -0.004 0.000 0.211 262 D C 0.108 176.345 176.300 -0.106 0.000 1.114 262 D CA -0.342 53.553 54.000 -0.176 0.000 0.837 262 D CB 0.175 40.640 40.800 -0.558 0.000 0.984 262 D HN 0.029 nan 8.370 nan 0.000 0.505 263 R N 1.335 121.823 120.500 -0.019 0.000 2.679 263 R HA 0.236 4.574 4.340 -0.004 0.000 0.268 263 R C -2.340 173.972 176.300 0.019 0.000 1.044 263 R CA -1.129 54.966 56.100 -0.007 0.000 1.105 263 R CB -0.284 30.029 30.300 0.021 0.000 0.989 263 R HN 0.034 nan 8.270 nan 0.000 0.447 264 P HA -0.015 nan 4.420 nan 0.000 0.267 264 P C 0.526 177.842 177.300 0.027 0.000 1.205 264 P CA 0.858 63.965 63.100 0.012 0.000 0.765 264 P CB 0.796 32.489 31.700 -0.012 0.000 0.828 265 G N 2.868 111.692 108.800 0.040 0.000 2.352 265 G HA2 -0.178 3.780 3.960 -0.004 0.000 0.204 265 G HA3 -0.178 3.780 3.960 -0.004 0.000 0.204 265 G C 0.063 174.994 174.900 0.052 0.000 1.004 265 G CA -0.501 44.618 45.100 0.032 0.000 0.648 265 G HN 0.467 nan 8.290 nan 0.000 0.491 266 I N 2.380 123.010 120.570 0.101 0.000 2.416 266 I HA 0.590 4.757 4.170 -0.004 0.000 0.288 266 I C 0.587 176.755 176.117 0.085 0.000 1.051 266 I CA 0.359 61.739 61.300 0.133 0.000 1.375 266 I CB 0.928 39.066 38.000 0.230 0.000 1.407 266 I HN 0.175 nan 8.210 nan 0.000 0.516 267 M N 6.038 125.561 119.600 -0.129 0.000 2.622 267 M HA 0.442 4.920 4.480 -0.004 0.000 0.276 267 M C -0.981 174.994 176.300 -0.541 0.000 1.265 267 M CA -0.799 54.221 55.300 -0.465 0.000 0.850 267 M CB 2.400 34.894 32.600 -0.177 0.000 1.720 267 M HN 0.277 nan 8.290 nan 0.000 0.465 268 L N 1.299 122.072 121.223 -0.749 0.000 2.453 268 L HA 0.164 4.502 4.340 -0.004 0.000 0.272 268 L C 1.371 178.119 176.870 -0.202 0.000 1.182 268 L CA -0.133 54.459 54.840 -0.415 0.000 0.858 268 L CB 0.734 42.597 42.059 -0.326 0.000 1.120 268 L HN 1.040 nan 8.230 nan 0.000 0.474 269 A N 3.454 126.192 122.820 -0.137 0.000 1.908 269 A HA -0.142 4.176 4.320 -0.004 0.000 0.218 269 A C 2.111 179.676 177.584 -0.031 0.000 1.181 269 A CA 1.881 53.873 52.037 -0.076 0.000 0.627 269 A CB -0.947 18.008 19.000 -0.076 0.000 0.818 269 A HN 0.984 nan 8.150 nan 0.000 0.445 270 G N -1.025 107.770 108.800 -0.009 0.000 2.471 270 G HA2 0.089 4.047 3.960 -0.004 0.000 0.219 270 G HA3 0.089 4.047 3.960 -0.004 0.000 0.219 270 G C 1.549 176.441 174.900 -0.013 0.000 1.125 270 G CA 1.238 46.358 45.100 0.034 0.000 0.775 270 G HN 0.776 nan 8.290 nan 0.000 0.548 271 A N 0.077 122.871 122.820 -0.042 0.000 1.930 271 A HA 0.226 4.544 4.320 -0.004 0.000 0.215 271 A C 2.521 180.120 177.584 0.024 0.000 1.176 271 A CA 1.323 53.315 52.037 -0.076 0.000 0.632 271 A CB -0.355 18.624 19.000 -0.034 0.000 0.819 271 A HN 0.191 nan 8.150 nan 0.000 0.445 272 V N 0.108 120.070 119.914 0.079 0.000 2.343 272 V HA -0.238 3.880 4.120 -0.004 0.000 0.247 272 V C 2.624 178.782 176.094 0.107 0.000 1.051 272 V CA 2.258 64.644 62.300 0.142 0.000 1.036 272 V CB -0.770 31.086 31.823 0.055 0.000 0.654 272 V HN 0.628 nan 8.190 nan 0.000 0.451 273 R N -0.166 120.357 120.500 0.039 0.000 2.081 273 R HA -0.167 4.171 4.340 -0.004 0.000 0.235 273 R C 2.679 178.981 176.300 0.004 0.000 1.131 273 R CA 1.743 57.857 56.100 0.023 0.000 0.960 273 R CB -0.442 29.865 30.300 0.011 0.000 0.856 273 R HN 0.487 nan 8.270 nan 0.000 0.436 274 S N -0.453 115.213 115.700 -0.056 0.000 2.353 274 S HA -0.194 4.273 4.470 -0.004 0.000 0.222 274 S C 1.809 176.373 174.600 -0.059 0.000 1.035 274 S CA 1.350 59.472 58.200 -0.129 0.000 1.025 274 S CB -0.387 62.671 63.200 -0.236 0.000 0.902 274 S HN 0.453 nan 8.310 nan 0.000 0.440 275 Y N 1.193 121.604 120.300 0.186 0.000 2.207 275 Y HA -0.037 4.510 4.550 -0.004 0.000 0.287 275 Y C 2.232 178.231 175.900 0.164 0.000 1.156 275 Y CA 1.046 59.300 58.100 0.256 0.000 1.182 275 Y CB -0.864 37.681 38.460 0.142 0.000 0.979 275 Y HN 0.306 nan 8.280 nan 0.000 0.521 276 L N 0.344 121.697 121.223 0.217 0.000 1.976 276 L HA -0.211 4.126 4.340 -0.004 0.000 0.209 276 L C 1.619 178.536 176.870 0.078 0.000 1.071 276 L CA 2.183 57.102 54.840 0.130 0.000 0.746 276 L CB -0.815 41.293 42.059 0.083 0.000 0.890 276 L HN 0.173 nan 8.230 nan 0.000 0.432 277 N N -1.435 117.282 118.700 0.028 0.000 2.251 277 N HA -0.076 4.661 4.740 -0.004 0.000 0.181 277 N C 1.891 177.357 175.510 -0.074 0.000 1.019 277 N CA 0.796 53.835 53.050 -0.018 0.000 0.862 277 N CB -0.144 38.324 38.487 -0.032 0.000 0.992 277 N HN 0.237 nan 8.380 nan 0.000 0.429 278 R N -0.098 120.303 120.500 -0.166 0.000 2.093 278 R HA -0.018 4.320 4.340 -0.004 0.000 0.224 278 R C 0.644 176.671 176.300 -0.454 0.000 1.101 278 R CA 1.226 57.092 56.100 -0.391 0.000 0.979 278 R CB 0.101 30.001 30.300 -0.667 0.000 0.877 278 R HN 0.305 nan 8.270 nan 0.000 0.441 279 Y N -1.053 119.289 120.300 0.071 0.000 2.481 279 Y HA 0.361 4.909 4.550 -0.004 0.000 0.247 279 Y C 0.960 176.927 175.900 0.112 0.000 1.151 279 Y CA 0.064 58.234 58.100 0.117 0.000 1.238 279 Y CB 1.007 39.589 38.460 0.203 0.000 1.179 279 Y HN 0.258 nan 8.280 nan 0.000 0.524 280 G N 1.332 110.242 108.800 0.183 0.000 2.323 280 G HA2 -0.220 3.738 3.960 -0.004 0.000 0.292 280 G HA3 -0.220 3.738 3.960 -0.004 0.000 0.292 280 G C -0.546 174.446 174.900 0.154 0.000 1.040 280 G CA 0.427 45.606 45.100 0.131 0.000 0.942 280 G HN 0.160 nan 8.290 nan 0.000 0.506 281 V N -0.023 120.006 119.914 0.191 0.000 2.588 281 V HA 0.590 4.708 4.120 -0.004 0.000 0.304 281 V C 0.525 176.694 176.094 0.124 0.000 1.042 281 V CA -1.030 61.360 62.300 0.149 0.000 0.877 281 V CB 2.004 33.917 31.823 0.151 0.000 0.996 281 V HN 0.457 nan 8.190 nan 0.000 0.425 282 R N 2.976 123.520 120.500 0.072 0.000 2.229 282 R HA 0.567 4.904 4.340 -0.004 0.000 0.332 282 R C 1.132 177.448 176.300 0.026 0.000 0.989 282 R CA 0.153 56.287 56.100 0.056 0.000 0.842 282 R CB 1.460 31.785 30.300 0.040 0.000 1.119 282 R HN 0.907 nan 8.270 nan 0.000 0.456 283 A N 3.428 126.264 122.820 0.027 0.000 2.024 283 A HA 0.036 4.354 4.320 -0.004 0.000 0.220 283 A C 0.887 178.462 177.584 -0.016 0.000 1.164 283 A CA 1.661 53.690 52.037 -0.014 0.000 0.643 283 A CB -0.092 18.912 19.000 0.007 0.000 0.806 283 A HN 0.800 nan 8.150 nan 0.000 0.451 284 G N -4.654 104.146 108.800 0.001 0.000 2.550 284 G HA2 0.536 4.493 3.960 -0.004 0.000 0.293 284 G HA3 0.536 4.493 3.960 -0.004 0.000 0.293 284 G C 0.199 175.104 174.900 0.008 0.000 1.402 284 G CA 0.042 45.142 45.100 0.000 0.000 0.784 284 G HN 0.720 nan 8.290 nan 0.000 0.482 285 A N -0.829 121.996 122.820 0.008 0.000 2.140 285 A HA 0.439 4.757 4.320 -0.004 0.000 0.209 285 A C 1.002 178.595 177.584 0.013 0.000 1.181 285 A CA 0.574 52.618 52.037 0.011 0.000 0.824 285 A CB 0.204 19.210 19.000 0.011 0.000 0.879 285 A HN 0.242 nan 8.150 nan 0.000 0.480 286 R N 0.627 121.135 120.500 0.014 0.000 2.494 286 R HA 0.427 4.765 4.340 -0.004 0.000 0.284 286 R C -1.411 174.896 176.300 0.012 0.000 1.525 286 R CA -0.179 55.931 56.100 0.017 0.000 1.460 286 R CB 0.043 30.358 30.300 0.025 0.000 1.134 286 R HN 0.342 nan 8.270 nan 0.000 0.592 287 I N 1.703 122.275 120.570 0.004 0.000 2.352 287 I HA 0.291 4.459 4.170 -0.004 0.000 0.290 287 I C 0.707 176.808 176.117 -0.027 0.000 1.036 287 I CA -0.370 60.925 61.300 -0.008 0.000 1.336 287 I CB 1.382 39.377 38.000 -0.008 0.000 1.407 287 I HN 0.296 nan 8.210 nan 0.000 0.497 288 A N 6.665 129.462 122.820 -0.038 0.000 2.306 288 A HA 0.818 5.136 4.320 -0.004 0.000 0.330 288 A C -0.564 176.963 177.584 -0.095 0.000 1.146 288 A CA -0.482 51.505 52.037 -0.083 0.000 0.827 288 A CB 1.280 20.226 19.000 -0.090 0.000 1.178 288 A HN 0.461 nan 8.150 nan 0.000 0.490 289 V N 0.638 120.470 119.914 -0.137 0.000 2.588 289 V HA 0.682 4.800 4.120 -0.004 0.000 0.304 289 V C 0.140 176.132 176.094 -0.169 0.000 1.042 289 V CA -0.276 61.938 62.300 -0.145 0.000 0.877 289 V CB 1.477 33.196 31.823 -0.174 0.000 0.996 289 V HN 1.251 nan 8.190 nan 0.000 0.425 290 A N 3.015 125.749 122.820 -0.144 0.000 2.318 290 A HA 0.875 5.192 4.320 -0.004 0.000 0.317 290 A C -0.295 177.210 177.584 -0.132 0.000 1.159 290 A CA -0.483 51.467 52.037 -0.146 0.000 0.799 290 A CB 1.722 20.638 19.000 -0.140 0.000 1.194 290 A HN 0.766 nan 8.150 nan 0.000 0.479 291 T N -0.019 114.453 114.554 -0.136 0.000 2.896 291 T HA 0.583 4.930 4.350 -0.004 0.000 0.297 291 T C 0.739 175.393 174.700 -0.077 0.000 1.108 291 T CA 0.411 62.438 62.100 -0.121 0.000 1.004 291 T CB 1.518 70.275 68.868 -0.186 0.000 1.159 291 T HN 1.092 nan 8.240 nan 0.000 0.499 292 T N 0.057 114.576 114.554 -0.058 0.000 3.040 292 T HA 0.344 4.692 4.350 -0.004 0.000 0.266 292 T C 0.393 175.099 174.700 0.011 0.000 1.005 292 T CA -0.383 61.691 62.100 -0.043 0.000 0.906 292 T CB -0.307 68.513 68.868 -0.080 0.000 1.082 292 T HN 0.740 nan 8.240 nan 0.000 0.531 293 N N -0.252 118.473 118.700 0.041 0.000 3.106 293 N HA 0.188 4.926 4.740 -0.004 0.000 0.253 293 N C -0.980 174.622 175.510 0.153 0.000 1.506 293 N CA -0.510 52.603 53.050 0.105 0.000 0.876 293 N CB 0.801 39.373 38.487 0.140 0.000 1.452 293 N HN -0.254 nan 8.380 nan 0.000 0.542 294 D N 0.256 120.772 120.400 0.194 0.000 2.269 294 D HA -0.098 4.539 4.640 -0.004 0.000 0.208 294 D C 1.831 178.272 176.300 0.235 0.000 0.963 294 D CA 1.319 55.492 54.000 0.288 0.000 0.864 294 D CB -0.177 40.732 40.800 0.182 0.000 0.936 294 D HN 0.626 nan 8.370 nan 0.000 0.505 295 S N 0.882 116.689 115.700 0.178 0.000 2.387 295 S HA -0.234 4.233 4.470 -0.004 0.000 0.230 295 S C 2.188 176.837 174.600 0.081 0.000 1.035 295 S CA 1.425 59.725 58.200 0.165 0.000 1.014 295 S CB -0.403 63.008 63.200 0.352 0.000 0.836 295 S HN 0.220 nan 8.310 nan 0.000 0.466 296 A N 0.383 123.182 122.820 -0.035 0.000 2.024 296 A HA 0.012 4.330 4.320 -0.004 0.000 0.220 296 A C 1.894 179.328 177.584 -0.251 0.000 1.164 296 A CA 1.338 53.262 52.037 -0.190 0.000 0.643 296 A CB -1.092 17.703 19.000 -0.342 0.000 0.806 296 A HN 0.679 nan 8.150 nan 0.000 0.451 297 Y N 0.362 120.670 120.300 0.013 0.000 2.497 297 Y HA -0.083 4.465 4.550 -0.004 0.000 0.292 297 Y C 2.270 178.171 175.900 0.001 0.000 1.137 297 Y CA 1.247 59.348 58.100 0.001 0.000 1.285 297 Y CB -0.225 38.233 38.460 -0.003 0.000 0.991 297 Y HN 0.480 nan 8.280 nan 0.000 0.556 298 E N -0.477 119.785 120.200 0.103 0.000 2.112 298 E HA -0.149 4.199 4.350 -0.004 0.000 0.190 298 E C 1.952 178.573 176.600 0.035 0.000 0.979 298 E CA 0.855 57.293 56.400 0.063 0.000 0.814 298 E CB -0.223 29.503 29.700 0.043 0.000 0.762 298 E HN 0.333 nan 8.360 nan 0.000 0.460 299 L N 0.910 122.140 121.223 0.012 0.000 2.056 299 L HA -0.134 4.203 4.340 -0.004 0.000 0.207 299 L C 2.173 179.043 176.870 -0.000 0.000 1.078 299 L CA 1.321 56.161 54.840 -0.000 0.000 0.749 299 L CB -0.354 41.693 42.059 -0.020 0.000 0.901 299 L HN -0.089 nan 8.230 nan 0.000 0.433 300 V N 0.375 120.283 119.914 -0.009 0.000 2.252 300 V HA -0.351 3.767 4.120 -0.004 0.000 0.249 300 V C 2.824 178.939 176.094 0.035 0.000 1.056 300 V CA 2.373 64.678 62.300 0.009 0.000 1.022 300 V CB -0.828 31.017 31.823 0.036 0.000 0.641 300 V HN 0.572 nan 8.190 nan 0.000 0.445 301 R N 0.023 120.555 120.500 0.054 0.000 2.091 301 R HA -0.200 4.137 4.340 -0.004 0.000 0.238 301 R C 2.210 178.526 176.300 0.026 0.000 1.136 301 R CA 1.965 58.090 56.100 0.043 0.000 0.959 301 R CB -0.219 30.108 30.300 0.046 0.000 0.856 301 R HN 0.641 nan 8.270 nan 0.000 0.437 302 E N 0.026 120.239 120.200 0.023 0.000 2.338 302 E HA -0.131 4.217 4.350 -0.004 0.000 0.197 302 E C 1.655 178.266 176.600 0.017 0.000 1.007 302 E CA 0.686 57.096 56.400 0.017 0.000 0.849 302 E CB 0.119 29.827 29.700 0.014 0.000 0.774 302 E HN 0.404 nan 8.360 nan 0.000 0.506 303 L N -0.001 121.233 121.223 0.018 0.000 2.529 303 L HA 0.126 4.463 4.340 -0.004 0.000 0.223 303 L C 2.314 179.194 176.870 0.017 0.000 1.113 303 L CA -0.024 54.826 54.840 0.017 0.000 0.861 303 L CB -0.078 41.989 42.059 0.013 0.000 1.012 303 L HN 0.106 nan 8.230 nan 0.000 0.461 304 A N 0.845 123.676 122.820 0.017 0.000 1.873 304 A HA -0.289 4.029 4.320 -0.004 0.000 0.218 304 A C 2.523 180.116 177.584 0.015 0.000 1.193 304 A CA 2.050 54.097 52.037 0.017 0.000 0.629 304 A CB -0.710 18.301 19.000 0.018 0.000 0.826 304 A HN 0.388 nan 8.150 nan 0.000 0.447 305 A N -0.837 121.992 122.820 0.014 0.000 2.024 305 A HA -0.062 4.256 4.320 -0.004 0.000 0.220 305 A C 2.038 179.630 177.584 0.014 0.000 1.164 305 A CA 2.306 54.351 52.037 0.012 0.000 0.643 305 A CB -0.982 18.025 19.000 0.011 0.000 0.806 305 A HN 0.970 nan 8.150 nan 0.000 0.451 306 T N -5.784 108.780 114.554 0.016 0.000 3.215 306 T HA 0.506 4.853 4.350 -0.004 0.000 0.271 306 T C 0.898 175.608 174.700 0.017 0.000 1.012 306 T CA 0.877 62.987 62.100 0.017 0.000 0.899 306 T CB 0.415 69.295 68.868 0.021 0.000 1.089 306 T HN 1.461 nan 8.240 nan 0.000 0.552 307 G N -0.254 108.555 108.800 0.016 0.000 2.425 307 G HA2 0.346 4.303 3.960 -0.004 0.000 0.177 307 G HA3 0.346 4.303 3.960 -0.004 0.000 0.177 307 G C 0.825 175.734 174.900 0.015 0.000 0.999 307 G CA 0.178 45.288 45.100 0.015 0.000 0.723 307 G HN 1.488 nan 8.290 nan 0.000 0.491 308 G N -1.197 107.612 108.800 0.015 0.000 2.601 308 G HA2 0.238 4.195 3.960 -0.004 0.000 0.261 308 G HA3 0.238 4.195 3.960 -0.004 0.000 0.261 308 G C 0.498 175.403 174.900 0.008 0.000 1.289 308 G CA 1.400 46.508 45.100 0.013 0.000 0.920 308 G HN 2.044 nan 8.290 nan 0.000 0.571 309 V N -3.261 116.655 119.914 0.004 0.000 3.074 309 V HA 0.778 4.896 4.120 -0.004 0.000 0.314 309 V C 1.347 177.436 176.094 -0.008 0.000 1.117 309 V CA 0.063 62.358 62.300 -0.010 0.000 1.014 309 V CB 1.256 33.061 31.823 -0.030 0.000 1.057 309 V HN 1.302 nan 8.190 nan 0.000 0.438 310 V N 1.038 120.942 119.914 -0.017 0.000 2.358 310 V HA 0.391 4.509 4.120 -0.004 0.000 0.246 310 V C 1.086 177.151 176.094 -0.049 0.000 1.047 310 V CA 2.185 64.485 62.300 -0.000 0.000 1.035 310 V CB -0.446 31.385 31.823 0.013 0.000 0.658 310 V HN 1.614 nan 8.190 nan 0.000 0.452 311 A N -1.716 121.024 122.820 -0.134 0.000 2.550 311 A HA 0.570 4.887 4.320 -0.004 0.000 0.295 311 A C -1.506 175.948 177.584 -0.217 0.000 1.001 311 A CA -0.443 51.470 52.037 -0.207 0.000 0.660 311 A CB 0.893 19.615 19.000 -0.463 0.000 1.308 311 A HN -0.008 nan 8.150 nan 0.000 0.426 312 V N 2.264 122.075 119.914 -0.171 0.000 2.384 312 V HA 0.461 4.578 4.120 -0.004 0.000 0.287 312 V C -0.580 175.415 176.094 -0.165 0.000 1.020 312 V CA -0.529 61.673 62.300 -0.162 0.000 0.850 312 V CB 1.432 33.197 31.823 -0.096 0.000 0.987 312 V HN 0.622 nan 8.190 nan 0.000 0.436 313 I N 3.927 124.381 120.570 -0.193 0.000 2.307 313 I HA 0.351 4.519 4.170 -0.004 0.000 0.287 313 I C 0.022 176.073 176.117 -0.109 0.000 1.054 313 I CA -0.213 60.987 61.300 -0.166 0.000 1.218 313 I CB 0.851 38.730 38.000 -0.202 0.000 1.398 313 I HN 0.563 nan 8.210 nan 0.000 0.475 314 D N 5.193 125.564 120.400 -0.049 0.000 2.317 314 D HA 0.385 5.022 4.640 -0.004 0.000 0.234 314 D C 0.936 177.226 176.300 -0.017 0.000 1.112 314 D CA -0.244 53.751 54.000 -0.007 0.000 0.840 314 D CB 2.158 43.011 40.800 0.090 0.000 1.078 314 D HN 0.587 nan 8.370 nan 0.000 0.486 315 A N 5.017 127.817 122.820 -0.034 0.000 2.070 315 A HA -0.119 4.198 4.320 -0.004 0.000 0.220 315 A C 1.160 178.730 177.584 -0.025 0.000 1.159 315 A CA 0.777 52.789 52.037 -0.041 0.000 0.656 315 A CB -0.042 18.919 19.000 -0.065 0.000 0.800 315 A HN 0.553 nan 8.150 nan 0.000 0.453 316 R N 0.674 121.171 120.500 -0.005 0.000 2.347 316 R HA 0.199 4.537 4.340 -0.004 0.000 0.304 316 R C 1.330 177.634 176.300 0.007 0.000 1.072 316 R CA 0.441 56.543 56.100 0.004 0.000 0.980 316 R CB 0.635 30.948 30.300 0.022 0.000 0.986 316 R HN 0.510 nan 8.270 nan 0.000 0.448 317 S N 0.774 116.475 115.700 0.002 0.000 2.481 317 S HA -0.033 4.435 4.470 -0.004 0.000 0.231 317 S C 0.675 175.277 174.600 0.004 0.000 0.996 317 S CA 0.096 58.299 58.200 0.003 0.000 0.942 317 S CB 0.311 63.512 63.200 0.002 0.000 0.768 317 S HN 0.373 nan 8.310 nan 0.000 0.520 318 S N 1.296 116.999 115.700 0.005 0.000 2.585 318 S HA 0.535 5.002 4.470 -0.004 0.000 0.277 318 S C -0.168 174.431 174.600 -0.003 0.000 1.241 318 S CA -0.682 57.518 58.200 0.001 0.000 1.041 318 S CB 0.816 64.017 63.200 0.002 0.000 0.987 318 S HN 0.360 nan 8.310 nan 0.000 0.512 319 I N 3.148 123.709 120.570 -0.014 0.000 2.297 319 I HA 0.165 4.333 4.170 -0.004 0.000 0.291 319 I C 0.911 176.998 176.117 -0.051 0.000 1.033 319 I CA -0.331 60.950 61.300 -0.033 0.000 1.253 319 I CB 0.839 38.816 38.000 -0.039 0.000 1.396 319 I HN 0.649 nan 8.210 nan 0.000 0.476 320 S N 5.030 120.692 115.700 -0.063 0.000 2.617 320 S HA 0.319 4.786 4.470 -0.004 0.000 0.259 320 S C 1.373 175.903 174.600 -0.117 0.000 1.301 320 S CA -0.053 58.104 58.200 -0.071 0.000 0.984 320 S CB 1.424 64.591 63.200 -0.055 0.000 0.954 320 S HN 0.680 nan 8.310 nan 0.000 0.572 321 A N 1.211 123.971 122.820 -0.099 0.000 1.902 321 A HA 0.150 4.467 4.320 -0.004 0.000 0.217 321 A C 2.439 179.920 177.584 -0.172 0.000 1.181 321 A CA 1.864 53.836 52.037 -0.108 0.000 0.623 321 A CB -1.764 17.192 19.000 -0.074 0.000 0.818 321 A HN 1.364 nan 8.150 nan 0.000 0.443 322 A N -0.196 122.496 122.820 -0.213 0.000 1.933 322 A HA 0.155 4.473 4.320 -0.004 0.000 0.218 322 A C 2.487 179.643 177.584 -0.712 0.000 1.175 322 A CA 2.094 53.929 52.037 -0.335 0.000 0.628 322 A CB -0.953 17.914 19.000 -0.222 0.000 0.814 322 A HN 1.051 nan 8.150 nan 0.000 0.444 323 A N -0.200 122.116 122.820 -0.839 0.000 1.898 323 A HA 0.203 4.520 4.320 -0.004 0.000 0.216 323 A C 2.487 179.846 177.584 -0.374 0.000 1.181 323 A CA 1.921 53.430 52.037 -0.880 0.000 0.620 323 A CB -0.952 17.794 19.000 -0.422 0.000 0.819 323 A HN 1.034 nan 8.150 nan 0.000 0.442 324 A N -0.877 121.795 122.820 -0.246 0.000 1.933 324 A HA -0.191 4.126 4.320 -0.004 0.000 0.218 324 A C 2.149 179.659 177.584 -0.122 0.000 1.175 324 A CA 2.118 54.072 52.037 -0.138 0.000 0.628 324 A CB -0.478 18.460 19.000 -0.102 0.000 0.814 324 A HN 0.531 nan 8.150 nan 0.000 0.444 325 Q N -0.016 119.694 119.800 -0.150 0.000 2.079 325 Q HA -0.011 4.327 4.340 -0.004 0.000 0.200 325 Q C 2.043 177.995 176.000 -0.080 0.000 0.974 325 Q CA 2.131 57.873 55.803 -0.101 0.000 0.840 325 Q CB -0.661 28.019 28.738 -0.098 0.000 0.898 325 Q HN 0.538 nan 8.270 nan 0.000 0.430 326 A N -0.446 122.304 122.820 -0.118 0.000 1.865 326 A HA -0.160 4.157 4.320 -0.004 0.000 0.217 326 A C 2.311 179.892 177.584 -0.006 0.000 1.191 326 A CA 1.816 53.841 52.037 -0.020 0.000 0.623 326 A CB -1.071 17.961 19.000 0.053 0.000 0.826 326 A HN 0.273 nan 8.150 nan 0.000 0.444 327 V N -0.124 119.771 119.914 -0.031 0.000 2.332 327 V HA -0.285 3.832 4.120 -0.004 0.000 0.248 327 V C 3.030 179.116 176.094 -0.012 0.000 1.055 327 V CA 2.043 64.335 62.300 -0.013 0.000 1.038 327 V CB -1.171 30.638 31.823 -0.023 0.000 0.651 327 V HN 0.638 nan 8.190 nan 0.000 0.450 328 A N -0.534 122.271 122.820 -0.025 0.000 2.019 328 A HA -0.211 4.106 4.320 -0.004 0.000 0.219 328 A C 1.856 179.434 177.584 -0.009 0.000 1.164 328 A CA 1.764 53.790 52.037 -0.019 0.000 0.644 328 A CB -0.420 18.563 19.000 -0.027 0.000 0.805 328 A HN 0.575 nan 8.150 nan 0.000 0.449 329 D N -1.361 119.036 120.400 -0.006 0.000 2.349 329 D HA 0.221 4.859 4.640 -0.004 0.000 0.224 329 D C 1.301 177.607 176.300 0.010 0.000 1.029 329 D CA 1.112 55.114 54.000 0.003 0.000 0.879 329 D CB 0.220 41.025 40.800 0.009 0.000 0.906 329 D HN 0.615 nan 8.370 nan 0.000 0.528 330 G N 0.315 109.121 108.800 0.011 0.000 2.163 330 G HA2 -0.246 3.711 3.960 -0.004 0.000 0.213 330 G HA3 -0.246 3.711 3.960 -0.004 0.000 0.213 330 G C 0.295 175.208 174.900 0.023 0.000 0.991 330 G CA -0.065 45.044 45.100 0.016 0.000 0.653 330 G HN 0.239 nan 8.290 nan 0.000 0.518 331 V N 1.471 121.401 119.914 0.028 0.000 2.583 331 V HA 0.413 4.530 4.120 -0.004 0.000 0.287 331 V C 0.922 177.037 176.094 0.034 0.000 1.051 331 V CA -0.049 62.272 62.300 0.036 0.000 1.010 331 V CB 1.754 33.613 31.823 0.061 0.000 0.988 331 V HN 0.485 nan 8.190 nan 0.000 0.478 332 Q N 3.935 123.751 119.800 0.026 0.000 2.307 332 Q HA 0.354 4.691 4.340 -0.004 0.000 0.261 332 Q C -1.251 174.749 176.000 0.000 0.000 1.051 332 Q CA -0.235 55.583 55.803 0.025 0.000 0.911 332 Q CB 1.015 29.781 28.738 0.046 0.000 1.227 332 Q HN 0.626 nan 8.270 nan 0.000 0.418 333 V N 6.487 126.413 119.914 0.020 0.000 2.378 333 V HA 0.299 4.417 4.120 -0.004 0.000 0.288 333 V C -0.239 175.862 176.094 0.011 0.000 1.016 333 V CA -0.770 61.546 62.300 0.026 0.000 0.840 333 V CB 1.471 33.338 31.823 0.073 0.000 0.994 333 V HN 0.725 nan 8.190 nan 0.000 0.431 334 I N 4.007 124.563 120.570 -0.024 0.000 2.313 334 I HA 0.321 4.488 4.170 -0.004 0.000 0.286 334 I C 0.791 176.905 176.117 -0.006 0.000 1.091 334 I CA 0.264 61.557 61.300 -0.010 0.000 1.216 334 I CB 0.303 38.278 38.000 -0.041 0.000 1.434 334 I HN 0.501 nan 8.210 nan 0.000 0.487 335 S N 3.285 118.993 115.700 0.012 0.000 2.593 335 S HA 0.432 4.900 4.470 -0.004 0.000 0.269 335 S C 1.350 175.954 174.600 0.006 0.000 1.334 335 S CA 0.227 58.435 58.200 0.014 0.000 1.015 335 S CB 1.054 64.263 63.200 0.016 0.000 0.912 335 S HN 0.985 nan 8.310 nan 0.000 0.541 336 G N 1.062 109.863 108.800 0.002 0.000 2.233 336 G HA2 -0.243 3.714 3.960 -0.004 0.000 0.270 336 G HA3 -0.243 3.714 3.960 -0.004 0.000 0.270 336 G C 0.069 174.964 174.900 -0.008 0.000 1.011 336 G CA 0.516 45.614 45.100 -0.003 0.000 0.762 336 G HN 0.654 nan 8.290 nan 0.000 0.511 337 S N -1.750 113.940 115.700 -0.017 0.000 2.634 337 S HA 0.871 5.339 4.470 -0.004 0.000 0.296 337 S C -0.051 174.515 174.600 -0.056 0.000 1.104 337 S CA -0.186 57.998 58.200 -0.025 0.000 0.920 337 S CB 2.917 66.108 63.200 -0.014 0.000 1.111 337 S HN 1.587 nan 8.310 nan 0.000 0.493 338 V N -1.649 118.223 119.914 -0.071 0.000 3.114 338 V HA 0.742 4.860 4.120 -0.004 0.000 0.308 338 V C -0.732 175.251 176.094 -0.184 0.000 1.168 338 V CA -0.986 61.238 62.300 -0.127 0.000 1.015 338 V CB 1.334 33.098 31.823 -0.100 0.000 1.050 338 V HN 0.579 nan 8.190 nan 0.000 0.433 339 V N 2.953 122.660 119.914 -0.346 0.000 2.521 339 V HA 0.203 4.321 4.120 -0.004 0.000 0.286 339 V C 1.349 177.145 176.094 -0.497 0.000 1.034 339 V CA 0.770 62.790 62.300 -0.466 0.000 1.045 339 V CB 1.125 32.486 31.823 -0.770 0.000 0.974 339 V HN 1.178 nan 8.190 nan 0.000 0.480 340 V N 0.081 119.866 119.914 -0.215 0.000 3.661 340 V HA 0.482 4.599 4.120 -0.004 0.000 0.271 340 V C 0.302 176.425 176.094 0.048 0.000 1.315 340 V CA 0.493 62.763 62.300 -0.049 0.000 1.072 340 V CB 0.470 32.302 31.823 0.015 0.000 0.830 340 V HN 0.804 nan 8.190 nan 0.000 0.443 341 D N -0.397 120.024 120.400 0.035 0.000 2.710 341 D HA 0.541 5.178 4.640 -0.004 0.000 0.276 341 D C -0.985 175.386 176.300 0.118 0.000 1.267 341 D CA 0.714 54.788 54.000 0.122 0.000 0.772 341 D CB 2.204 43.047 40.800 0.072 0.000 1.299 341 D HN 0.467 nan 8.370 nan 0.000 0.421 342 T N -1.852 112.782 114.554 0.134 0.000 2.864 342 T HA 0.800 5.148 4.350 -0.004 0.000 0.299 342 T C -0.784 173.949 174.700 0.056 0.000 1.166 342 T CA -0.737 61.429 62.100 0.109 0.000 1.007 342 T CB 2.100 71.067 68.868 0.164 0.000 1.219 342 T HN 0.268 nan 8.240 nan 0.000 0.506 343 E N -0.255 119.970 120.200 0.041 0.000 2.299 343 E HA 0.708 5.056 4.350 -0.004 0.000 0.265 343 E C -0.857 175.750 176.600 0.010 0.000 0.911 343 E CA -1.405 55.003 56.400 0.014 0.000 0.789 343 E CB 2.336 32.043 29.700 0.012 0.000 1.246 343 E HN 0.960 nan 8.360 nan 0.000 0.427 344 A N 1.481 124.297 122.820 -0.007 0.000 2.384 344 A HA 0.538 4.856 4.320 -0.004 0.000 0.312 344 A C -0.942 176.636 177.584 -0.010 0.000 1.113 344 A CA -0.810 51.221 52.037 -0.009 0.000 0.779 344 A CB 0.985 19.971 19.000 -0.023 0.000 1.307 344 A HN 0.689 nan 8.150 nan 0.000 0.436 345 D N -0.212 120.183 120.400 -0.008 0.000 2.511 345 D HA 0.199 4.837 4.640 -0.004 0.000 0.276 345 D C 1.149 177.442 176.300 -0.012 0.000 1.220 345 D CA 0.108 54.103 54.000 -0.008 0.000 1.077 345 D CB 0.142 40.940 40.800 -0.005 0.000 1.126 345 D HN 0.533 nan 8.370 nan 0.000 0.583 346 E N 0.142 120.336 120.200 -0.010 0.000 2.209 346 E HA -0.277 4.070 4.350 -0.004 0.000 0.196 346 E C 0.429 177.021 176.600 -0.013 0.000 0.993 346 E CA 1.264 57.657 56.400 -0.011 0.000 0.819 346 E CB -0.886 28.808 29.700 -0.009 0.000 0.745 346 E HN 0.572 nan 8.360 nan 0.000 0.477 347 N N 0.223 118.915 118.700 -0.013 0.000 2.314 347 N HA 0.192 4.930 4.740 -0.004 0.000 0.200 347 N C 0.741 176.240 175.510 -0.019 0.000 1.135 347 N CA 0.449 53.490 53.050 -0.016 0.000 0.835 347 N CB 0.869 39.347 38.487 -0.015 0.000 0.989 347 N HN 0.396 nan 8.380 nan 0.000 0.478 348 G N 0.567 109.355 108.800 -0.020 0.000 2.162 348 G HA2 -0.310 3.648 3.960 -0.004 0.000 0.260 348 G HA3 -0.310 3.648 3.960 -0.004 0.000 0.260 348 G C -0.149 174.738 174.900 -0.021 0.000 0.976 348 G CA 0.076 45.161 45.100 -0.024 0.000 0.655 348 G HN 0.409 nan 8.290 nan 0.000 0.533 349 E N -0.645 119.546 120.200 -0.014 0.000 2.283 349 E HA 0.566 4.914 4.350 -0.004 0.000 0.271 349 E C 0.412 177.013 176.600 0.002 0.000 1.031 349 E CA -1.103 55.292 56.400 -0.008 0.000 0.868 349 E CB 1.483 31.178 29.700 -0.009 0.000 1.094 349 E HN 0.222 nan 8.360 nan 0.000 0.401 350 L N 2.295 123.526 121.223 0.014 0.000 2.578 350 L HA -0.095 4.243 4.340 -0.004 0.000 0.279 350 L C 0.667 177.551 176.870 0.023 0.000 1.227 350 L CA 1.055 55.911 54.840 0.028 0.000 0.900 350 L CB 0.461 42.546 42.059 0.043 0.000 1.144 350 L HN 0.657 nan 8.230 nan 0.000 0.496 351 S N 2.716 118.431 115.700 0.025 0.000 2.619 351 S HA 0.729 5.196 4.470 -0.004 0.000 0.238 351 S C 0.320 174.940 174.600 0.034 0.000 1.068 351 S CA 0.142 58.355 58.200 0.023 0.000 0.926 351 S CB 0.306 63.513 63.200 0.013 0.000 0.864 351 S HN 1.023 nan 8.310 nan 0.000 0.493 352 A N 1.258 124.103 122.820 0.043 0.000 2.601 352 A HA 0.738 5.056 4.320 -0.004 0.000 0.291 352 A C -1.388 176.239 177.584 0.071 0.000 1.075 352 A CA -0.984 51.089 52.037 0.060 0.000 0.671 352 A CB 0.732 19.759 19.000 0.045 0.000 1.277 352 A HN 0.858 nan 8.150 nan 0.000 0.417 353 I N -1.226 119.402 120.570 0.096 0.000 2.646 353 I HA 0.863 5.031 4.170 -0.004 0.000 0.299 353 I C -1.140 175.041 176.117 0.107 0.000 1.036 353 I CA -1.170 60.179 61.300 0.082 0.000 1.074 353 I CB 2.061 40.087 38.000 0.044 0.000 1.258 353 I HN 0.255 nan 8.210 nan 0.000 0.430 354 V N 5.893 125.842 119.914 0.060 0.000 2.384 354 V HA 0.488 4.606 4.120 -0.004 0.000 0.287 354 V C 0.092 176.209 176.094 0.039 0.000 1.020 354 V CA -0.527 61.808 62.300 0.059 0.000 0.850 354 V CB 1.554 33.398 31.823 0.034 0.000 0.987 354 V HN 0.597 nan 8.190 nan 0.000 0.436 355 V N 3.600 123.572 119.914 0.097 0.000 2.715 355 V HA 0.987 5.105 4.120 -0.004 0.000 0.310 355 V C 0.164 176.294 176.094 0.060 0.000 1.054 355 V CA -0.324 62.017 62.300 0.069 0.000 0.928 355 V CB 1.808 33.721 31.823 0.150 0.000 1.007 355 V HN 1.075 nan 8.190 nan 0.000 0.437 356 A N 2.293 125.127 122.820 0.024 0.000 2.609 356 A HA 0.697 5.015 4.320 -0.004 0.000 0.291 356 A C -0.737 176.856 177.584 0.015 0.000 1.096 356 A CA -0.626 51.428 52.037 0.027 0.000 0.684 356 A CB 1.489 20.504 19.000 0.025 0.000 1.282 356 A HN 0.825 nan 8.150 nan 0.000 0.412 357 E N 0.199 120.410 120.200 0.019 0.000 2.373 357 E HA 0.364 4.711 4.350 -0.004 0.000 0.267 357 E C -1.457 175.150 176.600 0.012 0.000 1.032 357 E CA -0.320 56.088 56.400 0.013 0.000 0.889 357 E CB 0.762 30.471 29.700 0.016 0.000 0.984 357 E HN 0.587 nan 8.360 nan 0.000 0.425 358 L N 5.127 126.354 121.223 0.006 0.000 2.353 358 L HA 0.279 4.617 4.340 -0.004 0.000 0.270 358 L C -1.108 175.765 176.870 0.005 0.000 1.003 358 L CA -0.496 54.350 54.840 0.010 0.000 0.862 358 L CB 1.013 43.074 42.059 0.003 0.000 1.221 358 L HN 0.571 nan 8.230 nan 0.000 0.430 359 D N 1.752 122.159 120.400 0.011 0.000 2.433 359 D HA 0.058 4.696 4.640 -0.004 0.000 0.255 359 D C 0.901 177.205 176.300 0.006 0.000 1.226 359 D CA 0.124 54.129 54.000 0.008 0.000 1.015 359 D CB 0.468 41.275 40.800 0.011 0.000 1.091 359 D HN 0.669 nan 8.370 nan 0.000 0.527 360 E N -0.868 119.335 120.200 0.005 0.000 2.331 360 E HA -0.210 4.137 4.350 -0.004 0.000 0.199 360 E C 1.272 177.877 176.600 0.009 0.000 1.008 360 E CA 1.016 57.419 56.400 0.004 0.000 0.843 360 E CB -0.286 29.419 29.700 0.007 0.000 0.761 360 E HN 0.443 nan 8.360 nan 0.000 0.507 361 A N 1.002 123.830 122.820 0.013 0.000 2.251 361 A HA 0.185 4.502 4.320 -0.004 0.000 0.209 361 A C 0.735 178.332 177.584 0.021 0.000 1.187 361 A CA 0.200 52.247 52.037 0.016 0.000 0.823 361 A CB -0.276 18.733 19.000 0.016 0.000 0.846 361 A HN 0.264 nan 8.150 nan 0.000 0.486 362 R N -1.094 119.419 120.500 0.020 0.000 3.656 362 R HA -0.155 4.183 4.340 -0.004 0.000 0.297 362 R C -0.646 175.678 176.300 0.040 0.000 1.166 362 R CA 0.962 57.080 56.100 0.030 0.000 0.799 362 R CB -1.756 28.565 30.300 0.036 0.000 1.285 362 R HN 0.686 nan 8.270 nan 0.000 0.477 363 E N 0.366 120.586 120.200 0.033 0.000 2.191 363 E HA 0.449 4.796 4.350 -0.004 0.000 0.274 363 E C -0.295 176.328 176.600 0.037 0.000 0.948 363 E CA -0.563 55.860 56.400 0.038 0.000 0.802 363 E CB 1.009 30.727 29.700 0.030 0.000 1.137 363 E HN 0.142 nan 8.360 nan 0.000 0.397 364 L N 2.628 123.878 121.223 0.045 0.000 2.334 364 L HA 0.537 4.875 4.340 -0.004 0.000 0.277 364 L C 0.886 177.775 176.870 0.032 0.000 1.075 364 L CA -0.501 54.363 54.840 0.041 0.000 0.804 364 L CB 1.270 43.360 42.059 0.052 0.000 1.174 364 L HN 0.620 nan 8.230 nan 0.000 0.438 365 G N 0.962 109.778 108.800 0.027 0.000 2.583 365 G HA2 0.519 4.476 3.960 -0.004 0.000 0.280 365 G HA3 0.519 4.476 3.960 -0.004 0.000 0.280 365 G C -0.040 174.874 174.900 0.023 0.000 1.376 365 G CA -0.400 44.714 45.100 0.023 0.000 1.043 365 G HN 0.728 nan 8.290 nan 0.000 0.538 366 G N -1.025 107.787 108.800 0.019 0.000 2.614 366 G HA2 0.448 4.406 3.960 -0.004 0.000 0.239 366 G HA3 0.448 4.406 3.960 -0.004 0.000 0.239 366 G C 0.469 175.380 174.900 0.018 0.000 1.240 366 G CA 0.709 45.818 45.100 0.016 0.000 0.842 366 G HN 0.919 nan 8.290 nan 0.000 0.584 367 T N -1.837 112.725 114.554 0.014 0.000 2.944 367 T HA 0.673 5.021 4.350 -0.004 0.000 0.284 367 T C -0.310 174.389 174.700 -0.002 0.000 1.010 367 T CA -0.732 61.378 62.100 0.016 0.000 1.025 367 T CB 2.042 70.920 68.868 0.016 0.000 1.079 367 T HN 0.700 nan 8.240 nan 0.000 0.516 368 Q N -0.125 119.675 119.800 0.001 0.000 2.418 368 Q HA 0.489 4.826 4.340 -0.004 0.000 0.282 368 Q C -1.505 174.438 176.000 -0.095 0.000 1.044 368 Q CA -0.965 54.789 55.803 -0.083 0.000 0.813 368 Q CB 2.151 30.826 28.738 -0.106 0.000 1.428 368 Q HN 0.756 nan 8.270 nan 0.000 0.402 369 R N 1.369 121.723 120.500 -0.244 0.000 2.732 369 R HA 0.635 4.973 4.340 -0.004 0.000 0.278 369 R C -1.250 174.801 176.300 -0.414 0.000 0.976 369 R CA -0.457 55.542 56.100 -0.167 0.000 0.963 369 R CB 1.415 31.656 30.300 -0.099 0.000 1.150 369 R HN 0.410 nan 8.270 nan 0.000 0.478 370 F N 0.839 120.780 119.950 -0.015 0.000 2.585 370 F HA 0.224 4.748 4.527 -0.004 0.000 0.319 370 F C 0.116 175.911 175.800 -0.010 0.000 1.165 370 F CA -0.988 57.004 58.000 -0.013 0.000 0.949 370 F CB 1.863 40.853 39.000 -0.017 0.000 1.218 370 F HN 0.235 nan 8.300 nan 0.000 0.453 371 E N 2.496 122.781 120.200 0.141 0.000 2.373 371 E HA 0.637 4.985 4.350 -0.004 0.000 0.267 371 E C -0.495 176.162 176.600 0.093 0.000 1.032 371 E CA -0.275 56.177 56.400 0.087 0.000 0.889 371 E CB 1.713 31.442 29.700 0.048 0.000 0.984 371 E HN 0.656 nan 8.360 nan 0.000 0.425 372 A N 2.050 124.909 122.820 0.065 0.000 2.594 372 A HA 0.321 4.638 4.320 -0.004 0.000 0.296 372 A C -0.596 177.008 177.584 0.034 0.000 1.061 372 A CA -0.728 51.338 52.037 0.047 0.000 0.689 372 A CB 1.172 20.198 19.000 0.042 0.000 1.280 372 A HN 0.605 nan 8.150 nan 0.000 0.406 373 D N -0.096 120.318 120.400 0.023 0.000 2.379 373 D HA 0.319 4.957 4.640 -0.004 0.000 0.208 373 D C 0.030 176.339 176.300 0.016 0.000 1.065 373 D CA 0.314 54.325 54.000 0.017 0.000 0.848 373 D CB 0.542 41.348 40.800 0.010 0.000 0.949 373 D HN 0.337 nan 8.370 nan 0.000 0.509 374 V N 0.670 120.594 119.914 0.015 0.000 2.808 374 V HA 0.404 4.521 4.120 -0.004 0.000 0.308 374 V C -1.651 174.449 176.094 0.011 0.000 1.099 374 V CA -1.041 61.267 62.300 0.013 0.000 0.920 374 V CB 2.662 34.487 31.823 0.004 0.000 1.014 374 V HN 0.094 nan 8.190 nan 0.000 0.425 375 L N 4.442 125.677 121.223 0.020 0.000 2.345 375 L HA 0.869 5.206 4.340 -0.004 0.000 0.274 375 L C 0.202 177.069 176.870 -0.004 0.000 0.999 375 L CA -0.289 54.560 54.840 0.015 0.000 0.849 375 L CB 1.199 43.297 42.059 0.066 0.000 1.220 375 L HN 0.777 nan 8.230 nan 0.000 0.422 376 A N 5.358 128.156 122.820 -0.037 0.000 2.310 376 A HA 0.601 4.919 4.320 -0.004 0.000 0.300 376 A C -0.524 177.018 177.584 -0.070 0.000 1.269 376 A CA -0.395 51.605 52.037 -0.062 0.000 0.909 376 A CB 0.115 19.079 19.000 -0.061 0.000 1.144 376 A HN 0.505 nan 8.150 nan 0.000 0.540 377 V N 2.750 122.619 119.914 -0.074 0.000 2.364 377 V HA 0.478 4.596 4.120 -0.004 0.000 0.272 377 V C 0.731 176.771 176.094 -0.090 0.000 1.036 377 V CA 0.045 62.320 62.300 -0.042 0.000 0.880 377 V CB 1.065 32.924 31.823 0.061 0.000 0.991 377 V HN 0.978 nan 8.190 nan 0.000 0.460 378 A N 3.789 126.547 122.820 -0.103 0.000 2.969 378 A HA 0.588 4.906 4.320 -0.004 0.000 0.328 378 A C 1.334 178.829 177.584 -0.149 0.000 1.355 378 A CA 0.106 52.051 52.037 -0.153 0.000 1.018 378 A CB 0.080 19.004 19.000 -0.127 0.000 1.159 378 A HN 0.968 nan 8.150 nan 0.000 0.505 379 G N 0.362 109.078 108.800 -0.140 0.000 2.920 379 G HA2 0.468 4.425 3.960 -0.004 0.000 0.208 379 G HA3 0.468 4.425 3.960 -0.004 0.000 0.208 379 G C 0.868 175.691 174.900 -0.129 0.000 1.159 379 G CA 0.696 45.747 45.100 -0.081 0.000 0.784 379 G HN 1.837 nan 8.290 nan 0.000 0.535 380 G N -1.090 107.528 108.800 -0.303 0.000 2.422 380 G HA2 0.127 4.085 3.960 -0.004 0.000 0.607 380 G HA3 0.127 4.085 3.960 -0.004 0.000 0.607 380 G C -0.993 173.561 174.900 -0.577 0.000 1.270 380 G CA -1.026 43.921 45.100 -0.255 0.000 0.992 380 G HN 0.357 nan 8.290 nan 0.000 0.499 381 F N 0.276 120.298 119.950 0.120 0.000 2.556 381 F HA 0.578 5.102 4.527 -0.005 0.000 0.314 381 F C 0.268 176.162 175.800 0.157 0.000 1.106 381 F CA -0.782 57.297 58.000 0.132 0.000 0.911 381 F CB 2.510 41.558 39.000 0.079 0.000 1.190 381 F HN 0.424 nan 8.300 nan 0.000 0.448 382 N N 3.649 122.570 118.700 0.369 0.000 2.558 382 N HA 0.364 5.102 4.740 -0.004 0.000 0.242 382 N C -2.816 172.860 175.510 0.278 0.000 0.979 382 N CA -1.609 51.641 53.050 0.332 0.000 0.931 382 N CB 1.230 39.947 38.487 0.384 0.000 1.122 382 N HN 0.150 nan 8.380 nan 0.000 0.508 383 P HA -0.093 nan 4.420 nan 0.000 0.263 383 P C -0.384 176.977 177.300 0.101 0.000 1.175 383 P CA 0.097 63.252 63.100 0.092 0.000 0.761 383 P CB 0.663 32.385 31.700 0.037 0.000 0.794 384 V N 5.179 125.100 119.914 0.012 0.000 2.287 384 V HA -0.018 4.099 4.120 -0.004 0.000 0.246 384 V C 1.578 177.691 176.094 0.032 0.000 1.165 384 V CA 0.363 62.687 62.300 0.040 0.000 1.088 384 V CB -0.072 31.614 31.823 -0.228 0.000 1.242 384 V HN 0.474 nan 8.190 nan 0.000 0.497 385 V N 0.587 120.519 119.914 0.031 0.000 3.649 385 V HA 0.042 4.160 4.120 -0.004 0.000 0.275 385 V C 1.877 177.787 176.094 -0.306 0.000 1.281 385 V CA 0.543 62.737 62.300 -0.176 0.000 1.143 385 V CB -1.121 30.547 31.823 -0.258 0.000 0.892 385 V HN 0.756 nan 8.190 nan 0.000 0.441 386 H N 1.711 120.546 119.070 -0.392 0.000 2.272 386 H HA -0.216 4.339 4.556 -0.003 0.000 0.289 386 H C 2.026 177.245 175.328 -0.182 0.000 1.100 386 H CA 2.750 58.640 56.048 -0.263 0.000 1.209 386 H CB -0.815 29.066 29.762 0.198 0.000 1.348 386 H HN 0.422 nan 8.280 nan 0.000 0.481 387 L N -0.571 120.631 121.223 -0.034 0.000 2.201 387 L HA -0.169 4.169 4.340 -0.004 0.000 0.212 387 L C 2.593 179.420 176.870 -0.071 0.000 1.105 387 L CA 1.247 56.043 54.840 -0.074 0.000 0.775 387 L CB -0.495 41.492 42.059 -0.120 0.000 0.913 387 L HN 0.509 nan 8.230 nan 0.000 0.440 388 H N -0.189 118.776 119.070 -0.174 0.000 2.333 388 H HA -0.096 4.458 4.556 -0.003 0.000 0.302 388 H C 2.198 177.430 175.328 -0.160 0.000 1.075 388 H CA 1.660 57.614 56.048 -0.157 0.000 1.348 388 H CB 0.405 30.071 29.762 -0.160 0.000 1.393 388 H HN 0.208 nan 8.280 nan 0.000 0.509 389 S N 0.849 116.414 115.700 -0.225 0.000 2.423 389 S HA -0.119 4.349 4.470 -0.004 0.000 0.231 389 S C 2.039 176.572 174.600 -0.112 0.000 1.014 389 S CA 0.837 58.898 58.200 -0.231 0.000 0.965 389 S CB -0.137 62.837 63.200 -0.376 0.000 0.785 389 S HN 0.525 nan 8.310 nan 0.000 0.495 390 Q N 0.284 120.030 119.800 -0.091 0.000 2.291 390 Q HA 0.043 4.381 4.340 -0.004 0.000 0.206 390 Q C 1.199 177.131 176.000 -0.113 0.000 0.976 390 Q CA 0.684 56.447 55.803 -0.066 0.000 0.875 390 Q CB 0.034 28.708 28.738 -0.106 0.000 0.927 390 Q HN 0.193 nan 8.270 nan 0.000 0.450 391 R N 0.477 120.885 120.500 -0.154 0.000 2.480 391 R HA 0.065 4.403 4.340 -0.004 0.000 0.277 391 R C -0.172 176.037 176.300 -0.152 0.000 1.008 391 R CA 0.053 56.069 56.100 -0.140 0.000 1.090 391 R CB 0.434 30.646 30.300 -0.147 0.000 1.234 391 R HN 0.200 nan 8.270 nan 0.000 0.549 392 Q N -1.701 118.013 119.800 -0.143 0.000 2.489 392 Q HA -0.147 4.191 4.340 -0.004 0.000 0.259 392 Q C 0.384 176.257 176.000 -0.212 0.000 0.934 392 Q CA 1.156 56.883 55.803 -0.126 0.000 1.131 392 Q CB -2.065 26.629 28.738 -0.073 0.000 1.472 392 Q HN 0.540 nan 8.270 nan 0.000 0.560 393 G N 0.490 109.025 108.800 -0.442 0.000 2.432 393 G HA2 0.270 4.228 3.960 -0.004 0.000 0.239 393 G HA3 0.270 4.228 3.960 -0.004 0.000 0.239 393 G C -0.038 174.675 174.900 -0.312 0.000 1.291 393 G CA -0.387 44.251 45.100 -0.770 0.000 0.863 393 G HN 0.092 nan 8.290 nan 0.000 0.560 394 K N 0.237 120.626 120.400 -0.018 0.000 2.090 394 K HA 0.568 4.886 4.320 -0.004 0.000 0.250 394 K C -0.173 176.569 176.600 0.236 0.000 1.004 394 K CA -0.414 55.934 56.287 0.102 0.000 0.919 394 K CB 1.272 33.820 32.500 0.080 0.000 1.045 394 K HN 0.277 nan 8.250 nan 0.000 0.471 395 L N 1.081 122.414 121.223 0.184 0.000 2.381 395 L HA 0.416 4.753 4.340 -0.004 0.000 0.268 395 L C -0.781 176.252 176.870 0.272 0.000 0.997 395 L CA -1.036 53.938 54.840 0.224 0.000 0.818 395 L CB 1.983 44.188 42.059 0.242 0.000 1.310 395 L HN 0.523 nan 8.230 nan 0.000 0.416 396 D N 0.435 120.985 120.400 0.250 0.000 2.269 396 D HA 0.218 4.855 4.640 -0.004 0.000 0.244 396 D C -1.210 175.244 176.300 0.257 0.000 0.992 396 D CA -0.245 53.894 54.000 0.231 0.000 0.894 396 D CB 2.659 43.525 40.800 0.111 0.000 1.248 396 D HN 0.409 nan 8.370 nan 0.000 0.468 397 W N 2.796 124.105 121.300 0.015 0.000 2.335 397 W HA 0.136 4.793 4.660 -0.004 0.000 0.306 397 W C -0.577 175.878 176.519 -0.107 0.000 1.216 397 W CA -0.374 56.851 57.345 -0.200 0.000 1.237 397 W CB 0.898 30.190 29.460 -0.279 0.000 1.243 397 W HN 0.263 nan 8.180 nan 0.000 0.493 398 D N 4.385 124.340 120.400 -0.741 0.000 2.280 398 D HA 0.003 4.640 4.640 -0.004 0.000 0.243 398 D C 1.179 177.049 176.300 -0.717 0.000 1.129 398 D CA 0.106 53.781 54.000 -0.541 0.000 0.848 398 D CB 1.491 42.043 40.800 -0.414 0.000 1.107 398 D HN 0.455 nan 8.370 nan 0.000 0.471 399 T N 0.099 114.427 114.554 -0.376 0.000 3.129 399 T HA 0.026 4.374 4.350 -0.004 0.000 0.251 399 T C 1.348 175.721 174.700 -0.545 0.000 1.117 399 T CA 0.247 62.150 62.100 -0.330 0.000 1.034 399 T CB 0.186 69.055 68.868 0.001 0.000 0.968 399 T HN 0.253 nan 8.240 nan 0.000 0.526 400 T N 2.384 116.667 114.554 -0.452 0.000 2.983 400 T HA 0.275 4.623 4.350 -0.004 0.000 0.250 400 T C 1.667 176.140 174.700 -0.377 0.000 1.037 400 T CA 0.747 62.645 62.100 -0.338 0.000 1.142 400 T CB -0.140 68.618 68.868 -0.183 0.000 0.876 400 T HN 0.701 nan 8.240 nan 0.000 0.455 401 I N -1.901 118.448 120.570 -0.367 0.000 3.956 401 I HA 0.331 4.499 4.170 -0.004 0.000 0.333 401 I C -0.439 175.585 176.117 -0.155 0.000 1.302 401 I CA -0.333 60.861 61.300 -0.177 0.000 1.122 401 I CB -0.306 37.644 38.000 -0.084 0.000 1.013 401 I HN 0.140 nan 8.210 nan 0.000 0.405 402 H N 1.591 120.522 119.070 -0.231 0.000 2.680 402 H HA -0.052 4.501 4.556 -0.004 0.000 0.328 402 H C 0.025 175.034 175.328 -0.533 0.000 1.139 402 H CA 0.659 56.545 56.048 -0.271 0.000 1.124 402 H CB -1.342 28.543 29.762 0.205 0.000 1.584 402 H HN 0.760 nan 8.280 nan 0.000 0.410 403 A N 0.720 122.851 122.820 -1.148 0.000 2.610 403 A HA 0.624 4.942 4.320 -0.004 0.000 0.291 403 A C -0.934 176.168 177.584 -0.803 0.000 1.086 403 A CA -0.867 50.721 52.037 -0.749 0.000 0.677 403 A CB 1.086 20.020 19.000 -0.110 0.000 1.278 403 A HN 0.065 nan 8.150 nan 0.000 0.414 404 F N 0.919 120.818 119.950 -0.085 0.000 2.438 404 F HA 0.466 4.990 4.527 -0.005 0.000 0.356 404 F C 0.820 176.616 175.800 -0.007 0.000 1.099 404 F CA 0.282 58.331 58.000 0.082 0.000 1.185 404 F CB 1.542 40.694 39.000 0.254 0.000 1.115 404 F HN 0.533 nan 8.300 nan 0.000 0.526 405 V N 1.898 121.888 119.914 0.126 0.000 3.046 405 V HA 0.731 4.848 4.120 -0.004 0.000 0.316 405 V C -2.722 173.373 176.094 0.003 0.000 1.104 405 V CA -2.988 59.320 62.300 0.013 0.000 1.006 405 V CB 1.797 33.582 31.823 -0.063 0.000 1.058 405 V HN 0.433 nan 8.190 nan 0.000 0.440 406 P HA 0.399 nan 4.420 nan 0.000 0.275 406 P C -0.058 177.171 177.300 -0.119 0.000 1.228 406 P CA 0.166 63.101 63.100 -0.274 0.000 0.786 406 P CB 1.444 32.671 31.700 -0.787 0.000 0.927 407 A N 3.278 126.109 122.820 0.017 0.000 3.474 407 A HA 0.214 4.531 4.320 -0.004 0.000 0.159 407 A C 0.147 177.757 177.584 0.044 0.000 1.939 407 A CA -0.014 52.053 52.037 0.051 0.000 1.265 407 A CB -0.926 18.133 19.000 0.098 0.000 1.818 407 A HN 0.463 nan 8.150 nan 0.000 0.767 408 D N 0.800 121.245 120.400 0.074 0.000 2.455 408 D HA 0.414 5.052 4.640 -0.004 0.000 0.241 408 D C 0.439 176.818 176.300 0.132 0.000 1.138 408 D CA 0.872 54.908 54.000 0.060 0.000 0.877 408 D CB 0.722 41.544 40.800 0.037 0.000 1.187 408 D HN 0.633 nan 8.370 nan 0.000 0.451 409 A N 2.189 125.046 122.820 0.061 0.000 2.466 409 A HA 0.187 4.504 4.320 -0.004 0.000 0.238 409 A C 0.502 178.111 177.584 0.043 0.000 1.074 409 A CA -0.439 51.645 52.037 0.078 0.000 0.774 409 A CB 0.373 19.345 19.000 -0.048 0.000 1.015 409 A HN 0.396 nan 8.150 nan 0.000 0.498 410 V N 1.343 121.275 119.914 0.031 0.000 3.096 410 V HA 0.326 4.443 4.120 -0.004 0.000 0.306 410 V C 1.313 177.372 176.094 -0.058 0.000 1.088 410 V CA 0.159 62.430 62.300 -0.047 0.000 1.129 410 V CB 0.814 32.588 31.823 -0.083 0.000 1.014 410 V HN 1.232 nan 8.190 nan 0.000 0.486 411 A N 3.385 126.174 122.820 -0.051 0.000 2.565 411 A HA 0.125 4.443 4.320 -0.004 0.000 0.237 411 A C 0.922 178.473 177.584 -0.054 0.000 1.053 411 A CA 0.743 52.750 52.037 -0.049 0.000 0.755 411 A CB -0.996 17.989 19.000 -0.026 0.000 0.980 411 A HN 1.215 nan 8.150 nan 0.000 0.506 412 N N -0.305 118.350 118.700 -0.075 0.000 2.714 412 N HA -0.187 4.551 4.740 -0.004 0.000 0.250 412 N C -0.349 175.117 175.510 -0.074 0.000 1.117 412 N CA 1.452 54.472 53.050 -0.051 0.000 0.719 412 N CB -0.967 37.531 38.487 0.019 0.000 1.081 412 N HN 0.860 nan 8.380 nan 0.000 0.557 413 Q N -0.233 119.447 119.800 -0.201 0.000 2.433 413 Q HA 0.500 4.838 4.340 -0.004 0.000 0.279 413 Q C -0.755 174.990 176.000 -0.425 0.000 1.105 413 Q CA -0.668 55.050 55.803 -0.142 0.000 0.815 413 Q CB 2.236 30.948 28.738 -0.044 0.000 1.403 413 Q HN 0.270 nan 8.270 nan 0.000 0.435 414 H N 0.489 119.556 119.070 -0.005 0.000 2.851 414 H HA 0.520 5.074 4.556 -0.003 0.000 0.372 414 H C -1.045 174.263 175.328 -0.035 0.000 1.158 414 H CA -0.634 55.404 56.048 -0.016 0.000 1.159 414 H CB 1.782 31.532 29.762 -0.019 0.000 1.757 414 H HN 0.379 nan 8.280 nan 0.000 0.546 415 L N 1.507 122.760 121.223 0.051 0.000 2.362 415 L HA 0.767 5.105 4.340 -0.004 0.000 0.275 415 L C -0.207 176.650 176.870 -0.022 0.000 0.998 415 L CA -0.797 54.029 54.840 -0.022 0.000 0.820 415 L CB 1.892 43.896 42.059 -0.092 0.000 1.270 415 L HN 0.629 nan 8.230 nan 0.000 0.415 416 A N 1.860 124.656 122.820 -0.039 0.000 2.515 416 A HA 0.941 5.259 4.320 -0.004 0.000 0.298 416 A C 0.000 177.548 177.584 -0.061 0.000 1.059 416 A CA 0.035 52.046 52.037 -0.043 0.000 0.698 416 A CB 1.665 20.646 19.000 -0.031 0.000 1.289 416 A HN 1.078 nan 8.150 nan 0.000 0.404 417 G N -0.056 108.705 108.800 -0.065 0.000 2.584 417 G HA2 0.266 4.224 3.960 -0.004 0.000 0.229 417 G HA3 0.266 4.224 3.960 -0.004 0.000 0.229 417 G C 1.130 175.977 174.900 -0.089 0.000 1.320 417 G CA 0.724 45.778 45.100 -0.077 0.000 0.891 417 G HN 2.246 nan 8.290 nan 0.000 0.573 418 A N -0.260 122.500 122.820 -0.100 0.000 2.076 418 A HA 0.094 4.411 4.320 -0.004 0.000 0.220 418 A C 2.484 180.015 177.584 -0.088 0.000 1.160 418 A CA 3.071 55.042 52.037 -0.111 0.000 0.653 418 A CB -0.668 18.249 19.000 -0.138 0.000 0.801 418 A HN 1.736 nan 8.150 nan 0.000 0.455 419 M N -0.538 119.009 119.600 -0.088 0.000 2.549 419 M HA -0.048 4.430 4.480 -0.004 0.000 0.260 419 M C 1.499 177.740 176.300 -0.099 0.000 1.076 419 M CA 1.916 57.164 55.300 -0.087 0.000 1.090 419 M CB -0.865 31.671 32.600 -0.107 0.000 1.418 419 M HN 0.312 nan 8.290 nan 0.000 0.486 420 T N -3.651 110.844 114.554 -0.098 0.000 3.081 420 T HA 0.487 4.835 4.350 -0.004 0.000 0.250 420 T C 1.551 176.196 174.700 -0.092 0.000 1.100 420 T CA 0.508 62.546 62.100 -0.103 0.000 1.038 420 T CB 0.208 69.021 68.868 -0.091 0.000 0.962 420 T HN 0.743 nan 8.240 nan 0.000 0.516 421 G N 1.683 110.432 108.800 -0.085 0.000 2.194 421 G HA2 -0.214 3.743 3.960 -0.004 0.000 0.236 421 G HA3 -0.214 3.743 3.960 -0.004 0.000 0.236 421 G C 0.146 174.990 174.900 -0.094 0.000 0.987 421 G CA -0.417 44.631 45.100 -0.086 0.000 0.635 421 G HN 0.626 nan 8.290 nan 0.000 0.520 422 R N 0.516 120.959 120.500 -0.095 0.000 2.196 422 R HA 0.526 4.864 4.340 -0.004 0.000 0.340 422 R C 1.082 177.312 176.300 -0.117 0.000 1.043 422 R CA -0.446 55.596 56.100 -0.096 0.000 0.883 422 R CB 0.467 30.716 30.300 -0.084 0.000 1.078 422 R HN 0.275 nan 8.270 nan 0.000 0.462 423 L N 2.294 123.436 121.223 -0.134 0.000 2.653 423 L HA 0.091 4.428 4.340 -0.004 0.000 0.231 423 L C 0.390 177.152 176.870 -0.180 0.000 1.153 423 L CA -0.014 54.711 54.840 -0.193 0.000 0.933 423 L CB -0.533 41.371 42.059 -0.257 0.000 1.175 423 L HN 0.599 nan 8.230 nan 0.000 0.473 424 D N -1.782 118.537 120.400 -0.134 0.000 2.217 424 D HA 0.118 4.756 4.640 -0.004 0.000 0.248 424 D C 0.579 176.806 176.300 -0.122 0.000 1.008 424 D CA -0.427 53.501 54.000 -0.120 0.000 0.914 424 D CB 1.735 42.478 40.800 -0.096 0.000 1.182 424 D HN -0.219 nan 8.370 nan 0.000 0.451 425 T N 1.011 115.490 114.554 -0.124 0.000 2.746 425 T HA -0.105 4.242 4.350 -0.004 0.000 0.267 425 T C 1.940 176.554 174.700 -0.143 0.000 1.039 425 T CA 1.894 63.910 62.100 -0.139 0.000 1.142 425 T CB -0.371 68.406 68.868 -0.153 0.000 0.866 425 T HN 0.654 nan 8.240 nan 0.000 0.444 426 A N 2.040 124.783 122.820 -0.129 0.000 1.892 426 A HA -0.172 4.146 4.320 -0.004 0.000 0.218 426 A C 2.593 180.115 177.584 -0.102 0.000 1.188 426 A CA 2.518 54.483 52.037 -0.120 0.000 0.631 426 A CB -1.005 17.936 19.000 -0.099 0.000 0.822 426 A HN 0.630 nan 8.150 nan 0.000 0.447 427 S N -0.370 115.275 115.700 -0.091 0.000 2.436 427 S HA 0.215 4.682 4.470 -0.004 0.000 0.228 427 S C 2.025 176.578 174.600 -0.078 0.000 1.014 427 S CA 1.107 59.260 58.200 -0.078 0.000 0.950 427 S CB -0.490 62.666 63.200 -0.073 0.000 0.784 427 S HN 0.887 nan 8.310 nan 0.000 0.504 428 A N 2.229 124.994 122.820 -0.091 0.000 1.902 428 A HA 0.149 4.467 4.320 -0.004 0.000 0.217 428 A C 2.286 179.828 177.584 -0.070 0.000 1.181 428 A CA 1.385 53.373 52.037 -0.082 0.000 0.623 428 A CB -0.836 18.108 19.000 -0.093 0.000 0.818 428 A HN 0.541 nan 8.150 nan 0.000 0.443 429 L N 0.306 121.473 121.223 -0.093 0.000 2.056 429 L HA -0.170 4.168 4.340 -0.004 0.000 0.207 429 L C 3.078 179.919 176.870 -0.048 0.000 1.078 429 L CA 1.607 56.397 54.840 -0.082 0.000 0.749 429 L CB -0.510 41.449 42.059 -0.167 0.000 0.901 429 L HN 0.609 nan 8.230 nan 0.000 0.433 430 S N -0.971 114.695 115.700 -0.057 0.000 2.355 430 S HA -0.185 4.283 4.470 -0.004 0.000 0.222 430 S C 2.088 176.669 174.600 -0.032 0.000 1.031 430 S CA 1.406 59.582 58.200 -0.040 0.000 0.993 430 S CB -1.061 62.112 63.200 -0.044 0.000 0.859 430 S HN 0.559 nan 8.310 nan 0.000 0.453 431 T N -0.516 114.015 114.554 -0.037 0.000 2.821 431 T HA 0.107 4.454 4.350 -0.004 0.000 0.267 431 T C 2.029 176.712 174.700 -0.027 0.000 1.046 431 T CA 1.212 63.293 62.100 -0.031 0.000 1.139 431 T CB -1.321 67.525 68.868 -0.038 0.000 0.871 431 T HN 0.477 nan 8.240 nan 0.000 0.454 432 G N 1.424 110.207 108.800 -0.027 0.000 2.421 432 G HA2 0.059 4.017 3.960 -0.004 0.000 0.216 432 G HA3 0.059 4.017 3.960 -0.004 0.000 0.216 432 G C 1.958 176.845 174.900 -0.022 0.000 1.171 432 G CA 0.908 45.995 45.100 -0.022 0.000 0.775 432 G HN 0.736 nan 8.290 nan 0.000 0.543 433 A N 1.224 124.039 122.820 -0.008 0.000 1.883 433 A HA 0.206 4.524 4.320 -0.004 0.000 0.217 433 A C 2.835 180.403 177.584 -0.026 0.000 1.186 433 A CA 2.513 54.545 52.037 -0.007 0.000 0.624 433 A CB -0.898 18.107 19.000 0.009 0.000 0.822 433 A HN 0.832 nan 8.150 nan 0.000 0.444 434 A N -0.346 122.459 122.820 -0.026 0.000 1.877 434 A HA -0.102 4.216 4.320 -0.004 0.000 0.216 434 A C 2.459 180.012 177.584 -0.052 0.000 1.186 434 A CA 2.633 54.653 52.037 -0.028 0.000 0.620 434 A CB -1.450 17.540 19.000 -0.015 0.000 0.822 434 A HN 0.770 nan 8.150 nan 0.000 0.443 435 T N -2.576 111.943 114.554 -0.059 0.000 2.821 435 T HA 0.028 4.376 4.350 -0.004 0.000 0.267 435 T C 1.920 176.477 174.700 -0.239 0.000 1.046 435 T CA 1.523 63.548 62.100 -0.125 0.000 1.139 435 T CB -0.953 67.891 68.868 -0.040 0.000 0.871 435 T HN 0.423 nan 8.240 nan 0.000 0.454 436 G N 1.361 110.075 108.800 -0.144 0.000 2.418 436 G HA2 0.044 4.002 3.960 -0.004 0.000 0.217 436 G HA3 0.044 4.002 3.960 -0.004 0.000 0.217 436 G C 1.898 176.718 174.900 -0.133 0.000 1.158 436 G CA 0.837 45.853 45.100 -0.140 0.000 0.771 436 G HN 0.739 nan 8.290 nan 0.000 0.545 437 A N 1.056 123.817 122.820 -0.098 0.000 1.898 437 A HA 0.361 4.679 4.320 -0.004 0.000 0.216 437 A C 2.800 180.337 177.584 -0.077 0.000 1.181 437 A CA 2.058 54.057 52.037 -0.064 0.000 0.620 437 A CB -0.714 18.265 19.000 -0.036 0.000 0.819 437 A HN 0.736 nan 8.150 nan 0.000 0.442 438 A N -0.073 122.674 122.820 -0.122 0.000 1.902 438 A HA 0.184 4.501 4.320 -0.004 0.000 0.217 438 A C 2.485 179.963 177.584 -0.175 0.000 1.181 438 A CA 2.001 53.973 52.037 -0.108 0.000 0.623 438 A CB -0.951 18.008 19.000 -0.068 0.000 0.818 438 A HN 0.978 nan 8.150 nan 0.000 0.443 439 A N -0.036 122.531 122.820 -0.422 0.000 1.877 439 A HA 0.163 4.481 4.320 -0.004 0.000 0.216 439 A C 2.537 180.086 177.584 -0.059 0.000 1.186 439 A CA 2.154 53.996 52.037 -0.325 0.000 0.620 439 A CB -1.123 17.645 19.000 -0.387 0.000 0.822 439 A HN 1.061 nan 8.150 nan 0.000 0.443 440 A N -1.043 121.747 122.820 -0.050 0.000 1.902 440 A HA -0.106 4.211 4.320 -0.004 0.000 0.217 440 A C 2.316 179.974 177.584 0.123 0.000 1.181 440 A CA 2.393 54.459 52.037 0.048 0.000 0.623 440 A CB -1.353 17.660 19.000 0.021 0.000 0.818 440 A HN 0.437 nan 8.150 nan 0.000 0.443 441 T N 0.298 114.890 114.554 0.063 0.000 2.708 441 T HA -0.038 4.310 4.350 -0.004 0.000 0.266 441 T C 2.174 176.915 174.700 0.067 0.000 1.037 441 T CA 1.628 63.766 62.100 0.063 0.000 1.146 441 T CB -0.451 68.437 68.868 0.033 0.000 0.865 441 T HN 0.605 nan 8.240 nan 0.000 0.435 442 A N 1.090 123.954 122.820 0.074 0.000 2.070 442 A HA 0.258 4.575 4.320 -0.004 0.000 0.220 442 A C 2.355 179.997 177.584 0.097 0.000 1.159 442 A CA 1.492 53.582 52.037 0.089 0.000 0.656 442 A CB -0.658 18.424 19.000 0.136 0.000 0.800 442 A HN 0.500 nan 8.150 nan 0.000 0.453 443 A N -1.909 120.990 122.820 0.132 0.000 2.251 443 A HA 0.430 4.748 4.320 -0.004 0.000 0.209 443 A C 1.621 179.309 177.584 0.174 0.000 1.187 443 A CA 1.119 53.262 52.037 0.177 0.000 0.823 443 A CB -0.723 18.412 19.000 0.226 0.000 0.846 443 A HN 1.804 nan 8.150 nan 0.000 0.486 444 G N -2.172 106.672 108.800 0.073 0.000 2.144 444 G HA2 -0.203 3.755 3.960 -0.004 0.000 0.218 444 G HA3 -0.203 3.755 3.960 -0.004 0.000 0.218 444 G C -0.125 174.551 174.900 -0.373 0.000 0.988 444 G CA -0.005 45.011 45.100 -0.141 0.000 0.659 444 G HN 0.418 nan 8.290 nan 0.000 0.522 445 F N 1.651 121.601 119.950 0.000 0.000 2.550 445 F HA 0.685 5.209 4.527 -0.004 0.000 0.348 445 F C 0.882 176.676 175.800 -0.010 0.000 1.219 445 F CA -0.546 57.452 58.000 -0.005 0.000 1.203 445 F CB 1.052 40.048 39.000 -0.008 0.000 1.436 445 F HN 0.382 nan 8.300 nan 0.000 0.541 446 A N 1.552 124.413 122.820 0.068 0.000 2.565 446 A HA 0.441 4.759 4.320 -0.004 0.000 0.237 446 A C 0.499 178.118 177.584 0.058 0.000 1.053 446 A CA 0.733 52.798 52.037 0.047 0.000 0.755 446 A CB 0.240 19.246 19.000 0.010 0.000 0.980 446 A HN 0.563 nan 8.150 nan 0.000 0.506 447 T N 1.015 115.593 114.554 0.040 0.000 2.886 447 T HA 0.453 4.801 4.350 -0.004 0.000 0.330 447 T C -1.367 173.341 174.700 0.013 0.000 1.488 447 T CA -0.395 61.722 62.100 0.029 0.000 1.054 447 T CB 0.951 69.838 68.868 0.032 0.000 1.348 447 T HN 0.835 nan 8.240 nan 0.000 0.489 448 V N 3.412 123.331 119.914 0.008 0.000 2.435 448 V HA 0.756 4.874 4.120 -0.004 0.000 0.290 448 V C 0.960 177.053 176.094 -0.001 0.000 1.030 448 V CA -0.710 61.592 62.300 0.002 0.000 0.881 448 V CB 1.144 32.969 31.823 0.003 0.000 0.983 448 V HN 1.192 nan 8.190 nan 0.000 0.445 449 A N 5.214 128.031 122.820 -0.005 0.000 2.511 449 A HA 0.473 4.791 4.320 -0.004 0.000 0.242 449 A C 0.220 177.804 177.584 0.001 0.000 1.069 449 A CA 0.028 52.062 52.037 -0.006 0.000 0.763 449 A CB -0.109 18.885 19.000 -0.010 0.000 1.001 449 A HN 0.763 nan 8.150 nan 0.000 0.498 450 R N 1.571 122.075 120.500 0.007 0.000 2.229 450 R HA 0.446 4.783 4.340 -0.004 0.000 0.332 450 R C -0.536 175.780 176.300 0.025 0.000 0.989 450 R CA 0.076 56.185 56.100 0.015 0.000 0.842 450 R CB 1.178 31.491 30.300 0.021 0.000 1.119 450 R HN 0.672 nan 8.270 nan 0.000 0.456 451 T N 6.550 121.114 114.554 0.017 0.000 2.728 451 T HA 0.315 4.662 4.350 -0.004 0.000 0.296 451 T C -2.261 172.448 174.700 0.015 0.000 0.940 451 T CA -1.498 60.610 62.100 0.013 0.000 1.013 451 T CB 1.092 69.955 68.868 -0.009 0.000 0.912 451 T HN 0.262 nan 8.240 nan 0.000 0.484 452 P HA 0.124 nan 4.420 nan 0.000 0.268 452 P C -0.332 176.907 177.300 -0.101 0.000 1.205 452 P CA -0.370 62.729 63.100 -0.002 0.000 0.771 452 P CB 0.484 32.176 31.700 -0.013 0.000 0.858 453 Q N 1.343 121.074 119.800 -0.114 0.000 2.256 453 Q HA 0.720 5.058 4.340 -0.004 0.000 0.257 453 Q C -0.429 175.467 176.000 -0.173 0.000 0.936 453 Q CA -0.426 55.306 55.803 -0.118 0.000 0.903 453 Q CB 2.287 30.981 28.738 -0.074 0.000 1.263 453 Q HN 0.500 nan 8.270 nan 0.000 0.440 454 A N 1.923 124.650 122.820 -0.155 0.000 2.587 454 A HA 0.589 4.907 4.320 -0.004 0.000 0.293 454 A C -1.234 176.282 177.584 -0.114 0.000 1.087 454 A CA -0.727 51.213 52.037 -0.162 0.000 0.692 454 A CB 0.936 19.812 19.000 -0.206 0.000 1.291 454 A HN 0.511 nan 8.150 nan 0.000 0.407 455 L N 1.793 122.956 121.223 -0.100 0.000 2.499 455 L HA 0.166 4.503 4.340 -0.004 0.000 0.273 455 L C 1.133 177.958 176.870 -0.075 0.000 1.195 455 L CA 0.674 55.468 54.840 -0.077 0.000 0.882 455 L CB -0.019 42.000 42.059 -0.067 0.000 1.133 455 L HN 0.824 nan 8.230 nan 0.000 0.483 456 E N 1.263 121.424 120.200 -0.064 0.000 2.383 456 E HA 0.247 4.595 4.350 -0.004 0.000 0.264 456 E C -0.696 175.871 176.600 -0.056 0.000 1.050 456 E CA -0.592 55.771 56.400 -0.061 0.000 0.896 456 E CB 0.507 30.176 29.700 -0.051 0.000 0.982 456 E HN 0.516 nan 8.360 nan 0.000 0.424 457 T N 1.536 116.056 114.554 -0.057 0.000 2.907 457 T HA 0.470 4.817 4.350 -0.004 0.000 0.284 457 T C -0.160 174.514 174.700 -0.042 0.000 1.004 457 T CA -0.380 61.690 62.100 -0.050 0.000 1.063 457 T CB 1.423 70.258 68.868 -0.056 0.000 0.992 457 T HN 0.673 nan 8.240 nan 0.000 0.483 458 A N 2.592 125.390 122.820 -0.036 0.000 2.492 458 A HA 0.388 4.706 4.320 -0.004 0.000 0.254 458 A C 0.156 177.723 177.584 -0.028 0.000 1.091 458 A CA -0.428 51.590 52.037 -0.031 0.000 0.768 458 A CB -0.278 18.704 19.000 -0.030 0.000 1.028 458 A HN 0.705 nan 8.150 nan 0.000 0.498 459 L N 3.158 124.364 121.223 -0.028 0.000 2.513 459 L HA 0.382 4.720 4.340 -0.004 0.000 0.272 459 L C 0.929 177.790 176.870 -0.015 0.000 1.187 459 L CA 1.238 56.062 54.840 -0.026 0.000 0.895 459 L CB 0.288 42.331 42.059 -0.026 0.000 1.147 459 L HN 0.749 nan 8.230 nan 0.000 0.483 460 G N 3.653 112.449 108.800 -0.007 0.000 2.441 460 G HA2 0.468 4.426 3.960 -0.004 0.000 0.334 460 G HA3 0.468 4.426 3.960 -0.004 0.000 0.334 460 G C -1.070 173.842 174.900 0.020 0.000 1.161 460 G CA -0.532 44.575 45.100 0.012 0.000 0.935 460 G HN 0.638 nan 8.290 nan 0.000 0.488 461 E N -0.359 119.863 120.200 0.035 0.000 2.231 461 E HA 0.542 4.890 4.350 -0.004 0.000 0.277 461 E C -0.858 175.787 176.600 0.075 0.000 0.999 461 E CA -0.437 55.992 56.400 0.048 0.000 0.827 461 E CB 1.228 30.953 29.700 0.043 0.000 1.101 461 E HN 0.246 nan 8.360 nan 0.000 0.393 462 T N 3.973 118.593 114.554 0.110 0.000 2.841 462 T HA 0.304 4.652 4.350 -0.004 0.000 0.285 462 T C -0.626 174.161 174.700 0.144 0.000 0.991 462 T CA -0.628 61.555 62.100 0.139 0.000 0.966 462 T CB 1.059 70.038 68.868 0.186 0.000 0.962 462 T HN 0.424 nan 8.240 nan 0.000 0.438 463 R N 4.314 124.814 120.500 0.001 0.000 2.265 463 R HA 0.399 4.736 4.340 -0.004 0.000 0.319 463 R C -2.530 173.569 176.300 -0.336 0.000 1.006 463 R CA -1.979 54.039 56.100 -0.138 0.000 0.880 463 R CB 0.771 31.007 30.300 -0.107 0.000 1.077 463 R HN 0.308 nan 8.270 nan 0.000 0.454 464 P HA 0.091 nan 4.420 nan 0.000 0.282 464 P C -0.996 175.829 177.300 -0.792 0.000 1.262 464 P CA -0.256 62.305 63.100 -0.898 0.000 0.773 464 P CB 1.437 32.581 31.700 -0.927 0.000 0.879 465 V N 4.924 124.324 119.914 -0.857 0.000 2.327 465 V HA 0.180 4.297 4.120 -0.004 0.000 0.272 465 V C 0.459 176.342 176.094 -0.352 0.000 1.019 465 V CA -0.202 61.836 62.300 -0.436 0.000 0.814 465 V CB 0.575 32.278 31.823 -0.201 0.000 1.040 465 V HN 0.642 nan 8.190 nan 0.000 0.440 466 W N 3.359 124.703 121.300 0.074 0.000 2.737 466 W HA 0.420 5.079 4.660 -0.002 0.000 0.262 466 W C 0.564 177.143 176.519 0.100 0.000 1.282 466 W CA -0.149 57.248 57.345 0.086 0.000 1.386 466 W CB 0.816 30.307 29.460 0.052 0.000 1.099 466 W HN 0.352 nan 8.180 nan 0.000 0.621 467 L N 0.868 122.261 121.223 0.283 0.000 2.680 467 L HA 0.279 4.617 4.340 -0.004 0.000 0.260 467 L C -0.785 176.234 176.870 0.250 0.000 0.975 467 L CA -0.608 54.385 54.840 0.255 0.000 0.920 467 L CB 0.953 43.105 42.059 0.155 0.000 1.234 467 L HN -0.411 nan 8.230 nan 0.000 0.429 468 V N 5.786 125.899 119.914 0.331 0.000 2.521 468 V HA 0.204 4.321 4.120 -0.004 0.000 0.286 468 V C -1.842 174.514 176.094 0.436 0.000 1.034 468 V CA -1.024 61.461 62.300 0.309 0.000 1.045 468 V CB 0.812 32.813 31.823 0.298 0.000 0.974 468 V HN 0.581 nan 8.190 nan 0.000 0.480 469 P HA 0.082 nan 4.420 nan 0.000 0.270 469 P C -0.252 177.274 177.300 0.376 0.000 1.223 469 P CA 0.038 63.365 63.100 0.379 0.000 0.785 469 P CB 0.488 32.323 31.700 0.225 0.000 0.923 470 S N 0.842 116.700 115.700 0.263 0.000 2.562 470 S HA 0.111 4.579 4.470 -0.004 0.000 0.275 470 S C 1.350 175.986 174.600 0.060 0.000 1.281 470 S CA -0.662 57.571 58.200 0.054 0.000 1.045 470 S CB 0.072 63.035 63.200 -0.396 0.000 0.962 470 S HN 0.154 nan 8.310 nan 0.000 0.503 471 V N 4.931 124.879 119.914 0.057 0.000 2.469 471 V HA -0.109 4.008 4.120 -0.004 0.000 0.251 471 V C 2.348 178.460 176.094 0.029 0.000 1.064 471 V CA 2.239 64.567 62.300 0.046 0.000 1.066 471 V CB -0.807 31.040 31.823 0.039 0.000 0.667 471 V HN 0.916 nan 8.190 nan 0.000 0.461 472 S N -0.672 115.032 115.700 0.007 0.000 2.555 472 S HA 0.329 4.797 4.470 -0.004 0.000 0.230 472 S C 0.898 175.503 174.600 0.009 0.000 0.978 472 S CA 0.733 58.934 58.200 0.001 0.000 0.934 472 S CB -0.159 63.033 63.200 -0.013 0.000 0.766 472 S HN 0.982 nan 8.310 nan 0.000 0.533 473 G N 1.213 110.028 108.800 0.026 0.000 2.373 473 G HA2 -0.096 3.862 3.960 -0.004 0.000 0.634 473 G HA3 -0.096 3.862 3.960 -0.004 0.000 0.634 473 G C -1.004 173.982 174.900 0.142 0.000 1.267 473 G CA -0.274 44.866 45.100 0.066 0.000 1.008 473 G HN 0.144 nan 8.290 nan 0.000 0.497 474 D N 0.501 120.990 120.400 0.149 0.000 2.350 474 D HA 0.173 4.811 4.640 -0.004 0.000 0.213 474 D C 0.446 176.862 176.300 0.193 0.000 1.031 474 D CA 0.270 54.389 54.000 0.198 0.000 0.861 474 D CB 0.073 40.926 40.800 0.088 0.000 0.926 474 D HN 0.359 nan 8.370 nan 0.000 0.520 475 D N 0.293 120.780 120.400 0.145 0.000 2.414 475 D HA 0.103 4.741 4.640 -0.004 0.000 0.242 475 D C 1.299 177.705 176.300 0.177 0.000 1.129 475 D CA 0.011 54.073 54.000 0.103 0.000 0.885 475 D CB 1.405 42.238 40.800 0.055 0.000 1.198 475 D HN -0.022 nan 8.370 nan 0.000 0.437 476 A N 2.729 125.610 122.820 0.103 0.000 1.986 476 A HA -0.174 4.144 4.320 -0.004 0.000 0.220 476 A C 2.118 179.768 177.584 0.110 0.000 1.171 476 A CA 1.089 53.192 52.037 0.109 0.000 0.640 476 A CB -0.487 18.511 19.000 -0.002 0.000 0.811 476 A HN 0.475 nan 8.150 nan 0.000 0.451 477 V N 0.664 120.603 119.914 0.043 0.000 2.867 477 V HA -0.241 3.877 4.120 -0.004 0.000 0.260 477 V C 1.519 177.579 176.094 -0.056 0.000 1.099 477 V CA 2.398 64.688 62.300 -0.016 0.000 1.122 477 V CB -0.997 30.818 31.823 -0.014 0.000 0.708 477 V HN 0.730 nan 8.190 nan 0.000 0.490 478 N N -1.473 117.191 118.700 -0.060 0.000 2.461 478 N HA 0.024 4.761 4.740 -0.004 0.000 0.188 478 N C 0.406 175.593 175.510 -0.539 0.000 1.134 478 N CA 0.516 53.414 53.050 -0.253 0.000 0.878 478 N CB 0.052 38.345 38.487 -0.324 0.000 0.972 478 N HN 0.613 nan 8.380 nan 0.000 0.456 479 Y N 0.131 120.347 120.300 -0.139 0.000 2.636 479 Y HA 0.280 4.828 4.550 -0.003 0.000 0.260 479 Y C 0.933 176.694 175.900 -0.231 0.000 1.177 479 Y CA -0.312 57.651 58.100 -0.228 0.000 1.209 479 Y CB 0.404 38.637 38.460 -0.379 0.000 1.166 479 Y HN -0.108 nan 8.280 nan 0.000 0.531 480 K N -0.299 119.908 120.400 -0.322 0.000 2.555 480 K HA 0.023 4.341 4.320 -0.004 0.000 0.193 480 K C -0.157 175.875 176.600 -0.947 0.000 1.032 480 K CA 0.929 56.842 56.287 -0.624 0.000 1.004 480 K CB 0.009 32.046 32.500 -0.771 0.000 0.804 480 K HN 0.285 nan 8.250 nan 0.000 0.496 481 F N -0.999 118.864 119.950 -0.146 0.000 2.729 481 F HA 0.167 4.691 4.527 -0.004 0.000 0.315 481 F C -0.093 175.522 175.800 -0.309 0.000 1.102 481 F CA -0.696 57.142 58.000 -0.270 0.000 1.204 481 F CB 0.064 39.059 39.000 -0.007 0.000 1.052 481 F HN -0.094 nan 8.300 nan 0.000 0.551 482 H N 0.465 119.389 119.070 -0.244 0.000 3.008 482 H HA 0.239 4.793 4.556 -0.004 0.000 0.268 482 H C -0.532 174.643 175.328 -0.255 0.000 1.323 482 H CA -0.646 55.336 56.048 -0.110 0.000 1.401 482 H CB -0.430 29.380 29.762 0.080 0.000 1.556 482 H HN -0.089 nan 8.280 nan 0.000 0.502 483 F N 2.130 122.102 119.950 0.037 0.000 2.467 483 F HA 0.030 4.554 4.527 -0.004 0.000 0.362 483 F C 1.173 176.977 175.800 0.006 0.000 1.090 483 F CA -0.111 57.894 58.000 0.008 0.000 1.202 483 F CB 0.787 39.755 39.000 -0.053 0.000 1.113 483 F HN 0.307 nan 8.300 nan 0.000 0.541 484 V N 0.438 120.447 119.914 0.157 0.000 2.690 484 V HA 0.010 4.128 4.120 -0.004 0.000 0.240 484 V C 0.177 176.336 176.094 0.109 0.000 1.078 484 V CA 0.877 63.249 62.300 0.120 0.000 1.102 484 V CB 0.025 31.899 31.823 0.084 0.000 0.800 484 V HN 0.655 nan 8.190 nan 0.000 0.479 485 D N -0.148 120.327 120.400 0.124 0.000 2.462 485 D HA 0.317 4.955 4.640 -0.004 0.000 0.245 485 D C 0.651 176.997 176.300 0.077 0.000 1.122 485 D CA -0.184 53.863 54.000 0.077 0.000 0.864 485 D CB 1.909 42.752 40.800 0.072 0.000 1.098 485 D HN 0.045 nan 8.370 nan 0.000 0.541 486 L N 2.706 123.900 121.223 -0.049 0.000 2.027 486 L HA -0.132 4.205 4.340 -0.004 0.000 0.206 486 L C 2.546 179.333 176.870 -0.138 0.000 1.074 486 L CA 1.056 55.794 54.840 -0.169 0.000 0.745 486 L CB -0.212 41.621 42.059 -0.378 0.000 0.898 486 L HN 0.484 nan 8.230 nan 0.000 0.433 487 Q N -0.210 119.525 119.800 -0.109 0.000 2.170 487 Q HA -0.155 4.183 4.340 -0.004 0.000 0.203 487 Q C 1.951 177.922 176.000 -0.049 0.000 0.976 487 Q CA 1.079 56.826 55.803 -0.095 0.000 0.858 487 Q CB 0.234 28.924 28.738 -0.080 0.000 0.907 487 Q HN 0.280 nan 8.270 nan 0.000 0.433 488 R N 0.546 121.064 120.500 0.029 0.000 2.310 488 R HA 0.008 4.346 4.340 -0.004 0.000 0.202 488 R C -0.229 176.214 176.300 0.237 0.000 0.933 488 R CA 0.314 56.493 56.100 0.131 0.000 1.054 488 R CB -0.051 30.327 30.300 0.130 0.000 0.985 488 R HN 0.258 nan 8.270 nan 0.000 0.489 489 D N 1.471 121.987 120.400 0.194 0.000 2.751 489 D HA -0.148 4.490 4.640 -0.004 0.000 0.233 489 D C -0.515 176.009 176.300 0.374 0.000 1.149 489 D CA 1.054 55.257 54.000 0.338 0.000 0.682 489 D CB -0.352 40.659 40.800 0.352 0.000 1.068 489 D HN 0.142 nan 8.370 nan 0.000 0.429 490 Q N -0.307 119.661 119.800 0.280 0.000 2.245 490 Q HA 0.604 4.942 4.340 -0.004 0.000 0.256 490 Q C 0.950 176.995 176.000 0.076 0.000 0.942 490 Q CA -0.208 55.683 55.803 0.147 0.000 0.896 490 Q CB 1.961 30.763 28.738 0.106 0.000 1.272 490 Q HN 0.401 nan 8.270 nan 0.000 0.442 491 T N -3.517 111.002 114.554 -0.059 0.000 2.773 491 T HA 0.431 4.778 4.350 -0.004 0.000 0.278 491 T C 1.072 175.728 174.700 -0.074 0.000 1.011 491 T CA -0.654 61.349 62.100 -0.162 0.000 1.014 491 T CB 0.412 69.049 68.868 -0.385 0.000 1.293 491 T HN 0.121 nan 8.240 nan 0.000 0.554 492 V N 1.146 121.030 119.914 -0.050 0.000 2.490 492 V HA -0.044 4.074 4.120 -0.004 0.000 0.250 492 V C 3.133 179.172 176.094 -0.092 0.000 1.061 492 V CA 2.340 64.604 62.300 -0.061 0.000 1.064 492 V CB -1.522 30.253 31.823 -0.081 0.000 0.670 492 V HN 1.027 nan 8.190 nan 0.000 0.461 493 A N -0.341 122.435 122.820 -0.074 0.000 1.972 493 A HA -0.224 4.093 4.320 -0.004 0.000 0.219 493 A C 1.997 179.542 177.584 -0.065 0.000 1.169 493 A CA 1.835 53.829 52.037 -0.071 0.000 0.635 493 A CB -0.438 18.505 19.000 -0.095 0.000 0.810 493 A HN 0.564 nan 8.150 nan 0.000 0.446 494 D N -0.300 120.067 120.400 -0.056 0.000 2.149 494 D HA -0.063 4.575 4.640 -0.004 0.000 0.201 494 D C 2.041 178.340 176.300 -0.000 0.000 0.972 494 D CA 1.264 55.262 54.000 -0.004 0.000 0.835 494 D CB -0.188 40.617 40.800 0.009 0.000 0.966 494 D HN 0.253 nan 8.370 nan 0.000 0.476 495 V N 1.420 121.311 119.914 -0.038 0.000 2.427 495 V HA -0.180 3.938 4.120 -0.004 0.000 0.248 495 V C 2.625 178.649 176.094 -0.117 0.000 1.051 495 V CA 0.961 63.223 62.300 -0.064 0.000 1.048 495 V CB -0.394 31.390 31.823 -0.064 0.000 0.666 495 V HN 0.167 nan 8.190 nan 0.000 0.456 496 L N -0.363 120.789 121.223 -0.119 0.000 2.191 496 L HA -0.150 4.187 4.340 -0.004 0.000 0.212 496 L C 2.690 179.475 176.870 -0.140 0.000 1.103 496 L CA 1.460 56.219 54.840 -0.136 0.000 0.769 496 L CB -0.505 41.473 42.059 -0.135 0.000 0.908 496 L HN 0.262 nan 8.230 nan 0.000 0.438 497 R N 0.104 120.533 120.500 -0.118 0.000 2.090 497 R HA -0.114 4.223 4.340 -0.004 0.000 0.228 497 R C 2.321 178.403 176.300 -0.363 0.000 1.110 497 R CA 1.171 57.202 56.100 -0.116 0.000 0.973 497 R CB -0.098 30.229 30.300 0.046 0.000 0.869 497 R HN 0.322 nan 8.270 nan 0.000 0.440 498 A N 0.320 122.814 122.820 -0.543 0.000 1.873 498 A HA -0.149 4.169 4.320 -0.004 0.000 0.215 498 A C 2.186 179.463 177.584 -0.512 0.000 1.186 498 A CA 1.997 53.453 52.037 -0.969 0.000 0.616 498 A CB -0.998 17.630 19.000 -0.620 0.000 0.823 498 A HN 0.590 nan 8.150 nan 0.000 0.442 499 T N -2.712 111.664 114.554 -0.298 0.000 2.867 499 T HA 0.041 4.389 4.350 -0.004 0.000 0.268 499 T C 1.800 176.392 174.700 -0.180 0.000 1.057 499 T CA 1.465 63.445 62.100 -0.200 0.000 1.136 499 T CB -0.708 68.072 68.868 -0.146 0.000 0.874 499 T HN 0.411 nan 8.240 nan 0.000 0.466 500 G N 0.854 109.542 108.800 -0.186 0.000 2.484 500 G HA2 0.210 4.167 3.960 -0.004 0.000 0.218 500 G HA3 0.210 4.167 3.960 -0.004 0.000 0.218 500 G C 1.697 176.515 174.900 -0.138 0.000 1.130 500 G CA 0.440 45.458 45.100 -0.137 0.000 0.784 500 G HN 0.721 nan 8.290 nan 0.000 0.543 501 A N -0.529 122.167 122.820 -0.207 0.000 2.167 501 A HA 0.467 4.785 4.320 -0.004 0.000 0.214 501 A C 1.953 179.452 177.584 -0.142 0.000 1.151 501 A CA 1.527 53.463 52.037 -0.169 0.000 0.735 501 A CB -0.219 18.639 19.000 -0.237 0.000 0.802 501 A HN 1.466 nan 8.150 nan 0.000 0.467 502 G N -2.314 106.396 108.800 -0.151 0.000 2.205 502 G HA2 -0.149 3.808 3.960 -0.004 0.000 0.180 502 G HA3 -0.149 3.808 3.960 -0.004 0.000 0.180 502 G C 0.097 174.933 174.900 -0.107 0.000 1.004 502 G CA -0.014 45.021 45.100 -0.109 0.000 0.670 502 G HN 0.296 nan 8.290 nan 0.000 0.496 503 M N 0.253 119.762 119.600 -0.152 0.000 2.249 503 M HA 0.552 5.030 4.480 -0.004 0.000 0.351 503 M C 1.162 177.436 176.300 -0.044 0.000 1.180 503 M CA 0.183 55.430 55.300 -0.088 0.000 1.127 503 M CB 1.446 33.960 32.600 -0.144 0.000 1.546 503 M HN 0.097 nan 8.290 nan 0.000 0.461 504 K N 0.057 120.475 120.400 0.030 0.000 2.493 504 K HA 0.132 4.449 4.320 -0.004 0.000 0.201 504 K C 0.511 177.103 176.600 -0.012 0.000 1.355 504 K CA -0.007 56.274 56.287 -0.010 0.000 0.953 504 K CB 0.882 33.373 32.500 -0.015 0.000 1.316 504 K HN 0.678 nan 8.250 nan 0.000 0.522 505 S N 1.315 117.020 115.700 0.008 0.000 2.560 505 S HA -0.001 4.466 4.470 -0.004 0.000 0.284 505 S C 1.281 175.848 174.600 -0.054 0.000 1.327 505 S CA -0.368 57.790 58.200 -0.070 0.000 1.055 505 S CB 1.320 64.392 63.200 -0.214 0.000 0.868 505 S HN 0.112 nan 8.310 nan 0.000 0.506 506 V N 4.552 124.421 119.914 -0.075 0.000 2.594 506 V HA -0.057 4.061 4.120 -0.004 0.000 0.253 506 V C 2.110 178.168 176.094 -0.060 0.000 1.069 506 V CA 2.059 64.319 62.300 -0.067 0.000 1.082 506 V CB -0.702 31.069 31.823 -0.086 0.000 0.680 506 V HN 0.908 nan 8.190 nan 0.000 0.469 507 E N -0.531 119.613 120.200 -0.094 0.000 2.107 507 E HA -0.179 4.169 4.350 -0.004 0.000 0.191 507 E C 1.966 178.565 176.600 -0.002 0.000 0.982 507 E CA 1.671 58.020 56.400 -0.086 0.000 0.809 507 E CB -0.380 29.232 29.700 -0.147 0.000 0.756 507 E HN 0.827 nan 8.360 nan 0.000 0.459 508 H N 0.033 119.091 119.070 -0.019 0.000 2.326 508 H HA -0.046 4.508 4.556 -0.003 0.000 0.301 508 H C 2.046 177.387 175.328 0.022 0.000 1.081 508 H CA 0.616 56.665 56.048 0.003 0.000 1.334 508 H CB 0.264 30.016 29.762 -0.016 0.000 1.385 508 H HN 0.042 nan 8.280 nan 0.000 0.504 509 I N 1.416 122.057 120.570 0.119 0.000 2.226 509 I HA -0.264 3.904 4.170 -0.004 0.000 0.245 509 I C 2.386 178.551 176.117 0.081 0.000 1.100 509 I CA 1.352 62.688 61.300 0.059 0.000 1.374 509 I CB -0.978 37.021 38.000 -0.002 0.000 1.057 509 I HN 0.281 nan 8.210 nan 0.000 0.413 510 K N 1.317 121.748 120.400 0.050 0.000 2.032 510 K HA -0.198 4.119 4.320 -0.004 0.000 0.209 510 K C 2.313 178.950 176.600 0.061 0.000 1.048 510 K CA 1.686 57.994 56.287 0.035 0.000 0.927 510 K CB -0.047 32.451 32.500 -0.003 0.000 0.712 510 K HN 0.207 nan 8.250 nan 0.000 0.441 511 R N -0.981 119.570 120.500 0.085 0.000 2.090 511 R HA -0.114 4.224 4.340 -0.004 0.000 0.228 511 R C 2.360 178.714 176.300 0.090 0.000 1.110 511 R CA 1.437 57.584 56.100 0.079 0.000 0.973 511 R CB -0.423 29.931 30.300 0.090 0.000 0.869 511 R HN 0.327 nan 8.270 nan 0.000 0.440 512 Y N 1.446 121.745 120.300 -0.001 0.000 2.145 512 Y HA -0.253 4.294 4.550 -0.005 0.000 0.286 512 Y C 2.588 178.470 175.900 -0.031 0.000 1.145 512 Y CA 2.059 60.143 58.100 -0.027 0.000 1.148 512 Y CB -0.040 38.398 38.460 -0.037 0.000 0.981 512 Y HN 0.118 nan 8.280 nan 0.000 0.507 513 T N -3.611 111.068 114.554 0.209 0.000 3.009 513 T HA 0.037 4.385 4.350 -0.004 0.000 0.258 513 T C 1.278 176.005 174.700 0.044 0.000 1.063 513 T CA 0.888 63.058 62.100 0.117 0.000 1.139 513 T CB -0.439 68.499 68.868 0.118 0.000 0.890 513 T HN 0.660 nan 8.240 nan 0.000 0.471 514 S N -0.084 115.643 115.700 0.044 0.000 2.827 514 S HA -0.148 4.319 4.470 -0.004 0.000 0.269 514 S C 0.052 174.680 174.600 0.047 0.000 1.323 514 S CA 0.225 58.448 58.200 0.037 0.000 1.176 514 S CB -2.930 60.292 63.200 0.036 0.000 1.436 514 S HN 0.696 nan 8.310 nan 0.000 0.673 515 I N 3.012 123.611 120.570 0.048 0.000 2.775 515 I HA 0.204 4.372 4.170 -0.004 0.000 0.290 515 I C 1.579 177.709 176.117 0.021 0.000 1.203 515 I CA 1.396 62.722 61.300 0.042 0.000 1.433 515 I CB 0.546 38.569 38.000 0.039 0.000 1.354 515 I HN 1.275 nan 8.210 nan 0.000 0.579 516 S N 1.868 117.579 115.700 0.019 0.000 3.171 516 S HA -0.223 4.244 4.470 -0.004 0.000 0.279 516 S C 0.846 175.447 174.600 0.001 0.000 1.294 516 S CA 1.031 59.233 58.200 0.003 0.000 1.077 516 S CB -2.338 60.844 63.200 -0.030 0.000 1.298 516 S HN 0.950 nan 8.310 nan 0.000 0.666 517 T N -1.640 112.923 114.554 0.014 0.000 3.069 517 T HA 0.716 5.064 4.350 -0.004 0.000 0.252 517 T C 0.957 175.667 174.700 0.017 0.000 1.053 517 T CA 0.637 62.747 62.100 0.016 0.000 0.964 517 T CB 0.352 69.234 68.868 0.023 0.000 1.005 517 T HN 1.446 nan 8.240 nan 0.000 0.532 518 A N 2.628 125.456 122.820 0.013 0.000 2.262 518 A HA 0.400 4.717 4.320 -0.004 0.000 0.273 518 A C 1.437 179.015 177.584 -0.009 0.000 1.202 518 A CA -0.011 52.026 52.037 -0.000 0.000 0.811 518 A CB -0.216 18.777 19.000 -0.011 0.000 1.159 518 A HN 0.620 nan 8.150 nan 0.000 0.505 519 N N -1.167 117.519 118.700 -0.023 0.000 2.573 519 N HA -0.148 4.590 4.740 -0.004 0.000 0.187 519 N C 0.321 175.810 175.510 -0.035 0.000 1.107 519 N CA 1.226 54.259 53.050 -0.028 0.000 0.918 519 N CB -0.090 38.375 38.487 -0.037 0.000 0.966 519 N HN 0.629 nan 8.380 nan 0.000 0.448 520 D N -0.754 119.628 120.400 -0.030 0.000 2.349 520 D HA -0.081 4.557 4.640 -0.004 0.000 0.214 520 D C -0.079 176.217 176.300 -0.006 0.000 1.063 520 D CA 0.045 54.024 54.000 -0.035 0.000 0.847 520 D CB -0.258 40.522 40.800 -0.033 0.000 0.933 520 D HN 0.052 nan 8.370 nan 0.000 0.513 521 Q N 0.217 120.022 119.800 0.008 0.000 2.439 521 Q HA -0.175 4.163 4.340 -0.004 0.000 0.325 521 Q C 1.157 177.196 176.000 0.065 0.000 1.372 521 Q CA 1.064 56.888 55.803 0.034 0.000 0.909 521 Q CB -2.421 26.350 28.738 0.054 0.000 1.167 521 Q HN 0.738 nan 8.270 nan 0.000 0.418 522 G N -0.305 108.524 108.800 0.048 0.000 2.187 522 G HA2 -0.417 3.541 3.960 -0.004 0.000 0.261 522 G HA3 -0.417 3.541 3.960 -0.004 0.000 0.261 522 G C 1.030 176.015 174.900 0.142 0.000 1.000 522 G CA 1.030 46.170 45.100 0.065 0.000 0.718 522 G HN 0.497 nan 8.290 nan 0.000 0.519 523 K N -0.572 119.926 120.400 0.163 0.000 2.113 523 K HA -0.122 4.196 4.320 -0.004 0.000 0.208 523 K C 2.644 179.361 176.600 0.196 0.000 1.047 523 K CA 2.027 58.452 56.287 0.230 0.000 0.928 523 K CB -0.176 32.354 32.500 0.050 0.000 0.716 523 K HN 0.672 nan 8.250 nan 0.000 0.446 524 T N -3.325 111.305 114.554 0.126 0.000 2.985 524 T HA 0.065 4.413 4.350 -0.004 0.000 0.254 524 T C 1.670 176.460 174.700 0.150 0.000 1.021 524 T CA 0.374 62.567 62.100 0.156 0.000 0.957 524 T CB 0.415 69.375 68.868 0.153 0.000 1.047 524 T HN 0.118 nan 8.240 nan 0.000 0.511 525 S N 0.418 116.186 115.700 0.114 0.000 2.506 525 S HA 0.362 4.830 4.470 -0.004 0.000 0.219 525 S C 2.219 176.876 174.600 0.095 0.000 1.031 525 S CA 0.424 58.683 58.200 0.099 0.000 0.911 525 S CB -0.600 62.637 63.200 0.062 0.000 0.812 525 S HN 0.471 nan 8.310 nan 0.000 0.497 526 G N 2.423 111.278 108.800 0.092 0.000 2.514 526 G HA2 -0.163 3.794 3.960 -0.004 0.000 0.217 526 G HA3 -0.163 3.794 3.960 -0.004 0.000 0.217 526 G C 1.357 176.302 174.900 0.076 0.000 1.198 526 G CA 1.400 46.529 45.100 0.049 0.000 0.780 526 G HN 0.445 nan 8.290 nan 0.000 0.565 527 V N 1.496 121.508 119.914 0.162 0.000 2.667 527 V HA -0.023 4.095 4.120 -0.004 0.000 0.252 527 V C 3.255 179.411 176.094 0.104 0.000 1.065 527 V CA 1.686 64.104 62.300 0.196 0.000 1.083 527 V CB -0.612 31.424 31.823 0.356 0.000 0.692 527 V HN 0.504 nan 8.190 nan 0.000 0.468 528 A N 0.338 123.260 122.820 0.170 0.000 1.902 528 A HA -0.124 4.193 4.320 -0.004 0.000 0.217 528 A C 2.447 180.085 177.584 0.089 0.000 1.181 528 A CA 2.042 54.197 52.037 0.195 0.000 0.623 528 A CB -0.716 18.407 19.000 0.206 0.000 0.818 528 A HN 0.551 nan 8.150 nan 0.000 0.443 529 A N -0.114 122.736 122.820 0.051 0.000 1.902 529 A HA -0.080 4.237 4.320 -0.004 0.000 0.217 529 A C 2.113 179.664 177.584 -0.055 0.000 1.181 529 A CA 1.517 53.558 52.037 0.007 0.000 0.623 529 A CB -0.605 18.398 19.000 0.005 0.000 0.818 529 A HN 0.494 nan 8.150 nan 0.000 0.443 530 I N -0.277 120.242 120.570 -0.085 0.000 2.226 530 I HA -0.213 3.954 4.170 -0.004 0.000 0.245 530 I C 2.667 178.590 176.117 -0.323 0.000 1.100 530 I CA 1.134 62.339 61.300 -0.159 0.000 1.374 530 I CB -0.517 37.436 38.000 -0.079 0.000 1.057 530 I HN 0.404 nan 8.210 nan 0.000 0.413 531 G N 0.246 108.769 108.800 -0.462 0.000 2.422 531 G HA2 -0.172 3.785 3.960 -0.004 0.000 0.218 531 G HA3 -0.172 3.785 3.960 -0.004 0.000 0.218 531 G C 1.696 176.497 174.900 -0.165 0.000 1.146 531 G CA 0.822 45.509 45.100 -0.687 0.000 0.769 531 G HN 0.250 nan 8.290 nan 0.000 0.547 532 V N 1.096 120.985 119.914 -0.042 0.000 2.358 532 V HA -0.108 4.009 4.120 -0.004 0.000 0.246 532 V C 2.776 178.830 176.094 -0.067 0.000 1.047 532 V CA 1.344 63.642 62.300 -0.004 0.000 1.035 532 V CB -0.349 31.480 31.823 0.009 0.000 0.658 532 V HN 0.387 nan 8.190 nan 0.000 0.452 533 I N 0.619 121.130 120.570 -0.097 0.000 2.163 533 I HA -0.270 3.898 4.170 -0.004 0.000 0.243 533 I C 2.697 178.745 176.117 -0.115 0.000 1.085 533 I CA 1.627 62.864 61.300 -0.105 0.000 1.347 533 I CB -0.632 37.305 38.000 -0.105 0.000 1.044 533 I HN 0.295 nan 8.210 nan 0.000 0.408 534 A N 0.715 123.442 122.820 -0.155 0.000 1.908 534 A HA -0.184 4.134 4.320 -0.004 0.000 0.218 534 A C 2.534 180.070 177.584 -0.081 0.000 1.181 534 A CA 1.989 53.936 52.037 -0.151 0.000 0.627 534 A CB -0.833 18.016 19.000 -0.251 0.000 0.818 534 A HN 0.453 nan 8.150 nan 0.000 0.445 535 A N -0.137 122.656 122.820 -0.045 0.000 1.873 535 A HA 0.011 4.329 4.320 -0.004 0.000 0.215 535 A C 2.336 179.889 177.584 -0.052 0.000 1.186 535 A CA 2.209 54.242 52.037 -0.006 0.000 0.616 535 A CB -1.205 17.822 19.000 0.044 0.000 0.823 535 A HN 1.164 nan 8.150 nan 0.000 0.442 536 V N -2.447 117.418 119.914 -0.082 0.000 2.548 536 V HA 0.001 4.119 4.120 -0.004 0.000 0.249 536 V C 1.906 177.948 176.094 -0.088 0.000 1.055 536 V CA 1.692 63.929 62.300 -0.106 0.000 1.065 536 V CB -0.716 31.027 31.823 -0.133 0.000 0.681 536 V HN 0.396 nan 8.190 nan 0.000 0.462 537 L N 1.323 122.498 121.223 -0.080 0.000 2.592 537 L HA 0.477 4.815 4.340 -0.004 0.000 0.227 537 L C 1.689 178.524 176.870 -0.058 0.000 1.127 537 L CA 0.541 55.339 54.840 -0.071 0.000 0.884 537 L CB -0.561 41.454 42.059 -0.073 0.000 1.065 537 L HN 0.613 nan 8.230 nan 0.000 0.457 538 G N 1.722 110.491 108.800 -0.053 0.000 2.295 538 G HA2 -0.288 3.670 3.960 -0.004 0.000 0.287 538 G HA3 -0.288 3.670 3.960 -0.004 0.000 0.287 538 G C -0.020 174.856 174.900 -0.041 0.000 1.055 538 G CA 0.008 45.085 45.100 -0.038 0.000 0.922 538 G HN 0.334 nan 8.290 nan 0.000 0.503 539 I N -0.272 120.264 120.570 -0.057 0.000 2.336 539 I HA 0.259 4.427 4.170 -0.004 0.000 0.292 539 I C 1.387 177.460 176.117 -0.072 0.000 0.991 539 I CA -0.473 60.785 61.300 -0.070 0.000 1.227 539 I CB 1.601 39.543 38.000 -0.096 0.000 1.366 539 I HN 0.355 nan 8.210 nan 0.000 0.466 540 E N 4.904 125.071 120.200 -0.056 0.000 2.112 540 E HA -0.132 4.215 4.350 -0.004 0.000 0.190 540 E C 0.564 177.111 176.600 -0.089 0.000 0.979 540 E CA 0.590 56.967 56.400 -0.038 0.000 0.814 540 E CB 0.307 30.003 29.700 -0.007 0.000 0.762 540 E HN 0.596 nan 8.360 nan 0.000 0.460 541 N N 0.667 119.287 118.700 -0.134 0.000 2.485 541 N HA 0.142 4.880 4.740 -0.004 0.000 0.243 541 N C -2.231 173.038 175.510 -0.402 0.000 0.987 541 N CA -2.229 50.677 53.050 -0.240 0.000 0.940 541 N CB 1.593 40.008 38.487 -0.120 0.000 1.122 541 N HN -0.141 nan 8.380 nan 0.000 0.509 542 P HA -0.095 nan 4.420 nan 0.000 0.222 542 P C 0.587 177.634 177.300 -0.423 0.000 1.142 542 P CA 0.887 63.474 63.100 -0.855 0.000 0.788 542 P CB 0.231 30.823 31.700 -1.848 0.000 0.767 543 A N -0.092 122.523 122.820 -0.341 0.000 2.067 543 A HA 0.015 4.332 4.320 -0.004 0.000 0.219 543 A C 2.201 179.815 177.584 0.050 0.000 1.158 543 A CA 1.513 53.594 52.037 0.073 0.000 0.661 543 A CB -1.255 17.820 19.000 0.125 0.000 0.801 543 A HN 0.214 nan 8.150 nan 0.000 0.452 544 A N -0.397 122.392 122.820 -0.050 0.000 2.066 544 A HA 0.091 4.409 4.320 -0.004 0.000 0.218 544 A C 1.847 179.408 177.584 -0.038 0.000 1.157 544 A CA 1.208 53.223 52.037 -0.037 0.000 0.670 544 A CB -0.283 18.681 19.000 -0.060 0.000 0.804 544 A HN 0.401 nan 8.150 nan 0.000 0.453 545 I N -1.131 119.409 120.570 -0.049 0.000 2.429 545 I HA 0.173 4.340 4.170 -0.004 0.000 0.247 545 I C 1.554 177.658 176.117 -0.022 0.000 1.099 545 I CA 1.556 62.825 61.300 -0.052 0.000 1.422 545 I CB -2.127 35.820 38.000 -0.089 0.000 1.112 545 I HN 0.438 nan 8.210 nan 0.000 0.430 546 G N 1.383 110.218 108.800 0.058 0.000 2.829 546 G HA2 -0.179 3.779 3.960 -0.004 0.000 0.628 546 G HA3 -0.179 3.779 3.960 -0.004 0.000 0.628 546 G C 0.117 174.896 174.900 -0.202 0.000 1.412 546 G CA -0.071 45.014 45.100 -0.025 0.000 0.864 546 G HN 0.537 nan 8.290 nan 0.000 0.544 547 T N -2.312 112.018 114.554 -0.373 0.000 2.923 547 T HA 0.824 5.172 4.350 -0.004 0.000 0.281 547 T C 0.995 175.540 174.700 -0.259 0.000 0.995 547 T CA 0.548 62.426 62.100 -0.370 0.000 0.985 547 T CB 1.474 70.084 68.868 -0.430 0.000 1.114 547 T HN 2.004 nan 8.240 nan 0.000 0.548 548 T N -0.912 113.457 114.554 -0.309 0.000 2.847 548 T HA 0.421 4.768 4.350 -0.004 0.000 0.279 548 T C 0.258 174.756 174.700 -0.336 0.000 0.984 548 T CA -0.793 61.148 62.100 -0.265 0.000 0.988 548 T CB 0.049 68.772 68.868 -0.242 0.000 1.040 548 T HN 0.691 nan 8.240 nan 0.000 0.528 549 T N 1.967 116.395 114.554 -0.211 0.000 2.928 549 T HA 0.244 4.592 4.350 -0.004 0.000 0.305 549 T C -0.361 174.211 174.700 -0.214 0.000 1.035 549 T CA 0.104 62.124 62.100 -0.132 0.000 1.145 549 T CB -0.455 68.382 68.868 -0.052 0.000 0.963 549 T HN 0.416 nan 8.240 nan 0.000 0.545 550 F N 3.318 123.232 119.950 -0.060 0.000 2.411 550 F HA 0.460 4.983 4.527 -0.006 0.000 0.350 550 F C 1.199 177.006 175.800 0.012 0.000 1.114 550 F CA -0.574 57.401 58.000 -0.041 0.000 1.135 550 F CB 0.820 39.770 39.000 -0.082 0.000 1.120 550 F HN 0.159 nan 8.300 nan 0.000 0.495 551 R N 1.890 122.509 120.500 0.198 0.000 2.744 551 R HA 0.693 5.031 4.340 -0.004 0.000 0.279 551 R C -0.655 175.770 176.300 0.208 0.000 0.977 551 R CA -1.215 54.982 56.100 0.162 0.000 0.906 551 R CB 1.885 32.250 30.300 0.108 0.000 1.197 551 R HN 0.688 nan 8.270 nan 0.000 0.463 552 A N 3.583 126.522 122.820 0.198 0.000 2.386 552 A HA 0.479 4.796 4.320 -0.004 0.000 0.248 552 A C -1.795 175.934 177.584 0.241 0.000 1.082 552 A CA -0.837 51.362 52.037 0.269 0.000 0.789 552 A CB -0.325 18.865 19.000 0.317 0.000 1.025 552 A HN 0.452 nan 8.150 nan 0.000 0.490 553 P HA 0.171 nan 4.420 nan 0.000 0.284 553 P C 0.149 177.624 177.300 0.291 0.000 1.258 553 P CA -0.358 62.930 63.100 0.314 0.000 0.824 553 P CB 0.793 32.504 31.700 0.019 0.000 1.038 554 Y N 2.284 122.733 120.300 0.249 0.000 2.128 554 Y HA -0.173 4.374 4.550 -0.005 0.000 0.284 554 Y C 0.873 176.853 175.900 0.133 0.000 1.154 554 Y CA 1.952 60.164 58.100 0.188 0.000 1.149 554 Y CB 0.041 38.583 38.460 0.137 0.000 0.976 554 Y HN 0.451 nan 8.280 nan 0.000 0.505 555 T N -1.613 112.919 114.554 -0.038 0.000 2.906 555 T HA 0.486 4.833 4.350 -0.004 0.000 0.295 555 T C -2.836 171.830 174.700 -0.056 0.000 1.061 555 T CA -2.303 59.713 62.100 -0.140 0.000 1.000 555 T CB 1.832 70.614 68.868 -0.144 0.000 1.103 555 T HN -0.182 nan 8.240 nan 0.000 0.486 556 P HA 0.327 nan 4.420 nan 0.000 0.265 556 P C -1.056 176.182 177.300 -0.102 0.000 1.187 556 P CA -0.398 62.661 63.100 -0.068 0.000 0.766 556 P CB 0.378 32.052 31.700 -0.044 0.000 0.820 557 V N 2.104 121.931 119.914 -0.145 0.000 2.531 557 V HA 0.538 4.655 4.120 -0.004 0.000 0.301 557 V C 0.242 176.300 176.094 -0.060 0.000 1.034 557 V CA -1.211 60.984 62.300 -0.176 0.000 0.865 557 V CB 1.551 33.100 31.823 -0.456 0.000 0.995 557 V HN 0.706 nan 8.190 nan 0.000 0.424 558 A N 3.568 126.361 122.820 -0.045 0.000 2.565 558 A HA 0.311 4.628 4.320 -0.004 0.000 0.237 558 A C 0.904 178.521 177.584 0.054 0.000 1.053 558 A CA 0.157 52.178 52.037 -0.026 0.000 0.755 558 A CB -0.240 18.712 19.000 -0.080 0.000 0.980 558 A HN 0.670 nan 8.150 nan 0.000 0.506 559 F N 2.235 122.096 119.950 -0.148 0.000 2.091 559 F HA -0.258 4.267 4.527 -0.004 0.000 0.299 559 F C 2.685 178.368 175.800 -0.195 0.000 1.103 559 F CA 1.808 59.728 58.000 -0.132 0.000 1.228 559 F CB -1.371 37.575 39.000 -0.089 0.000 0.984 559 F HN 0.656 nan 8.300 nan 0.000 0.477 560 A N -0.215 122.552 122.820 -0.087 0.000 1.940 560 A HA -0.058 4.260 4.320 -0.004 0.000 0.219 560 A C 2.462 179.620 177.584 -0.709 0.000 1.176 560 A CA 1.933 53.756 52.037 -0.357 0.000 0.631 560 A CB -1.228 17.527 19.000 -0.409 0.000 0.814 560 A HN 0.321 nan 8.150 nan 0.000 0.446 561 A N -0.229 122.104 122.820 -0.812 0.000 1.898 561 A HA -0.006 4.311 4.320 -0.004 0.000 0.216 561 A C 2.115 179.681 177.584 -0.030 0.000 1.181 561 A CA 1.410 53.145 52.037 -0.503 0.000 0.620 561 A CB -0.559 18.326 19.000 -0.191 0.000 0.819 561 A HN 0.477 nan 8.150 nan 0.000 0.442 562 L N -0.871 120.341 121.223 -0.017 0.000 2.141 562 L HA -0.152 4.186 4.340 -0.004 0.000 0.209 562 L C 2.928 179.919 176.870 0.202 0.000 1.094 562 L CA 0.891 55.812 54.840 0.135 0.000 0.763 562 L CB -0.475 41.600 42.059 0.028 0.000 0.908 562 L HN 0.437 nan 8.230 nan 0.000 0.437 563 A N -0.177 122.671 122.820 0.046 0.000 2.066 563 A HA 0.207 4.524 4.320 -0.004 0.000 0.218 563 A C 1.741 179.289 177.584 -0.060 0.000 1.157 563 A CA 0.976 53.006 52.037 -0.011 0.000 0.670 563 A CB -0.644 18.337 19.000 -0.031 0.000 0.804 563 A HN 0.484 nan 8.150 nan 0.000 0.453 564 G N -0.347 108.474 108.800 0.036 0.000 2.596 564 G HA2 -0.337 3.620 3.960 -0.004 0.000 0.295 564 G HA3 -0.337 3.620 3.960 -0.004 0.000 0.295 564 G C 0.650 175.498 174.900 -0.086 0.000 1.240 564 G CA 0.390 45.471 45.100 -0.031 0.000 0.985 564 G HN 0.394 nan 8.290 nan 0.000 0.555 565 R N 1.488 121.890 120.500 -0.164 0.000 2.334 565 R HA 0.103 4.440 4.340 -0.004 0.000 0.220 565 R C 0.697 176.934 176.300 -0.105 0.000 0.917 565 R CA 0.240 56.247 56.100 -0.154 0.000 1.073 565 R CB -0.911 29.295 30.300 -0.157 0.000 1.056 565 R HN 0.530 nan 8.270 nan 0.000 0.506 566 N N 1.888 120.523 118.700 -0.107 0.000 3.050 566 N HA 0.052 4.789 4.740 -0.004 0.000 0.289 566 N C -0.453 175.026 175.510 -0.052 0.000 1.209 566 N CA 0.147 53.149 53.050 -0.081 0.000 1.154 566 N CB 0.348 38.780 38.487 -0.091 0.000 1.444 566 N HN -0.214 nan 8.380 nan 0.000 0.529 567 R N 0.294 120.770 120.500 -0.040 0.000 2.774 567 R HA 0.595 4.933 4.340 -0.004 0.000 0.272 567 R C 0.784 177.076 176.300 -0.013 0.000 1.000 567 R CA -0.602 55.487 56.100 -0.017 0.000 0.906 567 R CB 1.046 31.344 30.300 -0.003 0.000 1.227 567 R HN 0.427 nan 8.270 nan 0.000 0.468 568 G N 1.915 110.713 108.800 -0.003 0.000 2.596 568 G HA2 -0.374 3.584 3.960 -0.004 0.000 0.295 568 G HA3 -0.374 3.584 3.960 -0.004 0.000 0.295 568 G C 0.378 175.269 174.900 -0.014 0.000 1.240 568 G CA 0.731 45.830 45.100 -0.002 0.000 0.985 568 G HN 0.600 nan 8.290 nan 0.000 0.555 569 D N 0.545 120.936 120.400 -0.016 0.000 2.218 569 D HA -0.043 4.594 4.640 -0.004 0.000 0.204 569 D C 2.405 178.681 176.300 -0.039 0.000 0.976 569 D CA 1.371 55.354 54.000 -0.028 0.000 0.853 569 D CB -0.077 40.706 40.800 -0.029 0.000 0.939 569 D HN 0.434 nan 8.370 nan 0.000 0.481 570 Q N 0.097 119.875 119.800 -0.036 0.000 2.444 570 Q HA 0.021 4.358 4.340 -0.004 0.000 0.206 570 Q C 1.974 177.943 176.000 -0.052 0.000 0.948 570 Q CA -0.108 55.668 55.803 -0.046 0.000 0.946 570 Q CB 0.201 28.914 28.738 -0.042 0.000 1.027 570 Q HN 0.297 nan 8.270 nan 0.000 0.513 571 L N 0.432 121.628 121.223 -0.045 0.000 2.083 571 L HA -0.065 4.272 4.340 -0.004 0.000 0.209 571 L C -0.031 176.807 176.870 -0.053 0.000 1.083 571 L CA 1.662 56.474 54.840 -0.046 0.000 0.752 571 L CB 0.292 42.331 42.059 -0.034 0.000 0.899 571 L HN -0.036 nan 8.230 nan 0.000 0.433 572 D N -2.044 118.321 120.400 -0.057 0.000 2.837 572 D HA 0.361 4.999 4.640 -0.004 0.000 0.220 572 D C -2.715 173.537 176.300 -0.080 0.000 1.236 572 D CA -1.503 52.457 54.000 -0.066 0.000 0.838 572 D CB 1.625 42.391 40.800 -0.057 0.000 1.647 572 D HN -0.191 nan 8.370 nan 0.000 0.486 573 P HA 0.348 nan 4.420 nan 0.000 0.265 573 P C -1.366 175.849 177.300 -0.141 0.000 1.187 573 P CA -0.289 62.737 63.100 -0.125 0.000 0.766 573 P CB 0.697 32.308 31.700 -0.147 0.000 0.820 574 A N 3.690 126.419 122.820 -0.152 0.000 2.293 574 A HA 0.412 4.730 4.320 -0.004 0.000 0.312 574 A C -0.028 177.423 177.584 -0.221 0.000 1.309 574 A CA -0.710 51.230 52.037 -0.161 0.000 0.839 574 A CB 0.417 19.333 19.000 -0.139 0.000 1.155 574 A HN 0.442 nan 8.150 nan 0.000 0.501 575 R N 1.736 122.063 120.500 -0.288 0.000 2.357 575 R HA 0.609 4.946 4.340 -0.004 0.000 0.296 575 R C -0.252 175.963 176.300 -0.142 0.000 1.052 575 R CA -0.094 55.756 56.100 -0.416 0.000 0.988 575 R CB 0.981 30.647 30.300 -1.058 0.000 1.025 575 R HN 0.801 nan 8.270 nan 0.000 0.469 576 I N -1.890 118.614 120.570 -0.110 0.000 2.730 576 I HA 0.500 4.668 4.170 -0.004 0.000 0.298 576 I C 0.201 176.456 176.117 0.229 0.000 1.089 576 I CA -0.989 60.286 61.300 -0.043 0.000 1.041 576 I CB 2.340 39.993 38.000 -0.579 0.000 1.235 576 I HN 0.570 nan 8.210 nan 0.000 0.423 577 T N 1.462 116.208 114.554 0.321 0.000 2.824 577 T HA 0.523 4.871 4.350 -0.004 0.000 0.277 577 T C 1.192 175.995 174.700 0.171 0.000 0.975 577 T CA -0.049 62.212 62.100 0.269 0.000 0.966 577 T CB 1.558 70.524 68.868 0.162 0.000 1.054 577 T HN 0.859 nan 8.240 nan 0.000 0.533 578 A N 0.287 123.181 122.820 0.123 0.000 2.172 578 A HA 0.082 4.399 4.320 -0.004 0.000 0.216 578 A C 1.984 179.593 177.584 0.042 0.000 1.154 578 A CA 0.954 53.050 52.037 0.098 0.000 0.701 578 A CB -0.933 18.131 19.000 0.108 0.000 0.789 578 A HN 0.751 nan 8.150 nan 0.000 0.465 579 M N -2.281 117.289 119.600 -0.050 0.000 2.428 579 M HA 0.173 4.650 4.480 -0.004 0.000 0.239 579 M C 1.417 177.478 176.300 -0.398 0.000 1.121 579 M CA 0.431 55.531 55.300 -0.333 0.000 1.019 579 M CB -0.401 31.756 32.600 -0.738 0.000 1.485 579 M HN 0.539 nan 8.290 nan 0.000 0.484 580 H N 0.552 119.550 119.070 -0.119 0.000 2.357 580 H HA -0.189 4.364 4.556 -0.004 0.000 0.296 580 H C 2.128 177.497 175.328 0.068 0.000 1.108 580 H CA 2.475 58.560 56.048 0.061 0.000 1.273 580 H CB 0.096 29.915 29.762 0.096 0.000 1.367 580 H HN 0.473 nan 8.280 nan 0.000 0.498 581 S N -1.404 114.346 115.700 0.083 0.000 2.383 581 S HA -0.235 4.233 4.470 -0.004 0.000 0.229 581 S C 2.198 176.846 174.600 0.079 0.000 1.030 581 S CA 1.179 59.423 58.200 0.073 0.000 1.002 581 S CB -0.979 62.281 63.200 0.101 0.000 0.829 581 S HN 0.676 nan 8.310 nan 0.000 0.467 582 W N 2.337 123.538 121.300 -0.165 0.000 2.379 582 W HA -0.019 4.638 4.660 -0.004 0.000 0.307 582 W C 2.309 178.822 176.519 -0.009 0.000 1.200 582 W CA 1.778 59.049 57.345 -0.123 0.000 1.297 582 W CB -0.472 28.777 29.460 -0.352 0.000 1.140 582 W HN 0.459 nan 8.180 nan 0.000 0.507 583 H N -0.406 118.867 119.070 0.338 0.000 2.352 583 H HA -0.225 4.329 4.556 -0.004 0.000 0.299 583 H C 2.270 177.678 175.328 0.134 0.000 1.097 583 H CA 1.863 58.084 56.048 0.288 0.000 1.311 583 H CB -0.504 29.349 29.762 0.152 0.000 1.377 583 H HN 0.163 nan 8.280 nan 0.000 0.504 584 L N 0.309 121.642 121.223 0.184 0.000 1.994 584 L HA -0.191 4.146 4.340 -0.004 0.000 0.208 584 L C 2.720 179.620 176.870 0.051 0.000 1.071 584 L CA 1.520 56.432 54.840 0.119 0.000 0.745 584 L CB -0.494 41.570 42.059 0.008 0.000 0.892 584 L HN 0.387 nan 8.230 nan 0.000 0.431 585 S N -1.993 113.709 115.700 0.002 0.000 2.474 585 S HA -0.179 4.288 4.470 -0.004 0.000 0.235 585 S C 1.464 175.911 174.600 -0.256 0.000 0.997 585 S CA 0.746 58.885 58.200 -0.102 0.000 0.949 585 S CB -0.547 62.586 63.200 -0.111 0.000 0.766 585 S HN 0.483 nan 8.310 nan 0.000 0.517 586 H N 0.755 119.653 119.070 -0.287 0.000 2.505 586 H HA 0.320 4.873 4.556 -0.004 0.000 0.289 586 H C 1.527 176.822 175.328 -0.055 0.000 1.052 586 H CA 0.111 55.975 56.048 -0.308 0.000 1.156 586 H CB 0.039 29.357 29.762 -0.740 0.000 1.507 586 H HN 0.618 nan 8.280 nan 0.000 0.548 587 G N 1.313 110.121 108.800 0.014 0.000 2.153 587 G HA2 -0.304 3.654 3.960 -0.004 0.000 0.252 587 G HA3 -0.304 3.654 3.960 -0.004 0.000 0.252 587 G C 0.579 175.435 174.900 -0.073 0.000 0.994 587 G CA 0.243 45.345 45.100 0.003 0.000 0.698 587 G HN 0.631 nan 8.290 nan 0.000 0.521 588 A N -0.464 122.249 122.820 -0.179 0.000 2.483 588 A HA 0.541 4.859 4.320 -0.004 0.000 0.238 588 A C 0.617 177.778 177.584 -0.706 0.000 1.070 588 A CA 0.328 51.957 52.037 -0.680 0.000 0.770 588 A CB 0.403 18.685 19.000 -1.196 0.000 1.008 588 A HN 0.327 nan 8.150 nan 0.000 0.497 589 E N 0.133 119.828 120.200 -0.843 0.000 2.242 589 E HA 0.586 4.933 4.350 -0.004 0.000 0.275 589 E C -1.277 174.975 176.600 -0.579 0.000 1.002 589 E CA -0.009 56.064 56.400 -0.545 0.000 0.841 589 E CB 1.211 30.450 29.700 -0.769 0.000 1.109 589 E HN 0.452 nan 8.360 nan 0.000 0.394 590 F N 0.383 120.331 119.950 -0.004 0.000 2.538 590 F HA 0.309 4.834 4.527 -0.004 0.000 0.325 590 F C 0.761 176.529 175.800 -0.054 0.000 1.066 590 F CA -0.769 57.234 58.000 0.006 0.000 0.946 590 F CB 1.625 40.631 39.000 0.010 0.000 1.199 590 F HN 0.251 nan 8.300 nan 0.000 0.473 591 E N 1.438 121.664 120.200 0.043 0.000 2.199 591 E HA 0.199 4.547 4.350 -0.004 0.000 0.269 591 E C -1.529 175.033 176.600 -0.063 0.000 0.899 591 E CA -0.864 55.372 56.400 -0.273 0.000 0.772 591 E CB 1.109 30.513 29.700 -0.495 0.000 1.155 591 E HN 0.487 nan 8.360 nan 0.000 0.408 592 D N 3.511 123.856 120.400 -0.093 0.000 2.325 592 D HA 0.154 4.791 4.640 -0.004 0.000 0.251 592 D C -0.712 175.591 176.300 0.006 0.000 1.196 592 D CA -0.003 53.991 54.000 -0.010 0.000 0.866 592 D CB 1.494 42.278 40.800 -0.027 0.000 1.101 592 D HN 0.094 nan 8.370 nan 0.000 0.476 593 V N 2.937 122.903 119.914 0.086 0.000 2.284 593 V HA 0.487 4.604 4.120 -0.004 0.000 0.274 593 V C 1.106 177.306 176.094 0.177 0.000 1.023 593 V CA -0.193 62.173 62.300 0.111 0.000 0.808 593 V CB 0.610 32.501 31.823 0.114 0.000 1.035 593 V HN 0.867 nan 8.190 nan 0.000 0.445 594 G N 4.909 113.777 108.800 0.112 0.000 2.583 594 G HA2 -0.322 3.636 3.960 -0.004 0.000 0.292 594 G HA3 -0.322 3.636 3.960 -0.004 0.000 0.292 594 G C 0.526 175.463 174.900 0.061 0.000 1.203 594 G CA 0.797 45.955 45.100 0.095 0.000 0.987 594 G HN 0.585 nan 8.290 nan 0.000 0.554 595 Q N -0.341 119.466 119.800 0.011 0.000 2.360 595 Q HA 0.226 4.563 4.340 -0.004 0.000 0.202 595 Q C 0.298 176.256 176.000 -0.069 0.000 0.915 595 Q CA -0.130 55.627 55.803 -0.078 0.000 0.943 595 Q CB 0.431 29.063 28.738 -0.176 0.000 1.064 595 Q HN 0.483 nan 8.270 nan 0.000 0.511 596 W N 1.664 122.945 121.300 -0.033 0.000 2.251 596 W HA 0.199 4.857 4.660 -0.004 0.000 0.329 596 W C 0.378 176.884 176.519 -0.021 0.000 1.234 596 W CA -0.613 56.714 57.345 -0.029 0.000 1.228 596 W CB 0.764 30.224 29.460 -0.001 0.000 1.135 596 W HN -0.345 nan 8.180 nan 0.000 0.576 597 K N 4.360 124.932 120.400 0.286 0.000 2.281 597 K HA 0.375 4.693 4.320 -0.004 0.000 0.272 597 K C -0.232 176.581 176.600 0.354 0.000 1.048 597 K CA -0.528 55.875 56.287 0.193 0.000 0.898 597 K CB 1.048 33.524 32.500 -0.039 0.000 1.128 597 K HN 0.471 nan 8.250 nan 0.000 0.460 598 R N 2.701 123.399 120.500 0.331 0.000 2.664 598 R HA 0.389 4.726 4.340 -0.004 0.000 0.286 598 R C -2.483 173.923 176.300 0.177 0.000 0.967 598 R CA -2.153 54.083 56.100 0.226 0.000 0.933 598 R CB 1.325 31.665 30.300 0.067 0.000 1.146 598 R HN 0.204 nan 8.270 nan 0.000 0.468 599 P HA -0.085 nan 4.420 nan 0.000 0.267 599 P C -0.403 176.765 177.300 -0.219 0.000 1.209 599 P CA 0.040 62.777 63.100 -0.606 0.000 0.763 599 P CB 0.432 31.633 31.700 -0.832 0.000 0.816 600 W N 6.263 127.293 121.300 -0.449 0.000 2.526 600 W HA 0.084 4.742 4.660 -0.004 0.000 0.294 600 W C -0.099 176.435 176.519 0.026 0.000 1.181 600 W CA 1.210 58.471 57.345 -0.141 0.000 1.373 600 W CB -0.168 29.233 29.460 -0.099 0.000 1.112 600 W HN 0.442 nan 8.180 nan 0.000 0.545 601 Y N -4.127 116.084 120.300 -0.148 0.000 2.702 601 Y HA 0.383 4.930 4.550 -0.004 0.000 0.336 601 Y C -2.140 173.619 175.900 -0.235 0.000 1.203 601 Y CA -2.374 55.657 58.100 -0.115 0.000 1.072 601 Y CB -0.104 38.245 38.460 -0.185 0.000 1.327 601 Y HN -0.110 nan 8.280 nan 0.000 0.456 602 Y N 2.988 123.377 120.300 0.149 0.000 2.686 602 Y HA 0.490 5.038 4.550 -0.004 0.000 0.331 602 Y C -2.567 173.437 175.900 0.173 0.000 0.996 602 Y CA -2.267 55.881 58.100 0.080 0.000 1.293 602 Y CB 1.343 39.903 38.460 0.167 0.000 1.092 602 Y HN 0.304 nan 8.280 nan 0.000 0.524 603 P HA 0.110 nan 4.420 nan 0.000 0.279 603 P C -0.882 176.522 177.300 0.174 0.000 1.239 603 P CA -0.292 62.964 63.100 0.260 0.000 0.789 603 P CB 1.479 33.351 31.700 0.286 0.000 0.933 604 Q N 0.974 120.862 119.800 0.146 0.000 2.205 604 Q HA 0.532 4.869 4.340 -0.004 0.000 0.249 604 Q C 0.132 176.180 176.000 0.080 0.000 0.948 604 Q CA -1.043 54.826 55.803 0.110 0.000 0.895 604 Q CB 1.018 29.819 28.738 0.105 0.000 1.249 604 Q HN 0.549 nan 8.270 nan 0.000 0.458 605 A N 0.781 123.637 122.820 0.059 0.000 2.600 605 A HA 0.194 4.511 4.320 -0.004 0.000 0.253 605 A C 1.247 178.857 177.584 0.043 0.000 0.997 605 A CA 1.163 53.226 52.037 0.044 0.000 0.820 605 A CB -1.223 17.797 19.000 0.033 0.000 0.888 605 A HN 1.077 nan 8.150 nan 0.000 0.508 606 G N 1.887 110.711 108.800 0.040 0.000 2.162 606 G HA2 -0.233 3.725 3.960 -0.004 0.000 0.260 606 G HA3 -0.233 3.725 3.960 -0.004 0.000 0.260 606 G C 0.015 174.936 174.900 0.034 0.000 0.976 606 G CA 0.629 45.749 45.100 0.034 0.000 0.655 606 G HN 0.937 nan 8.290 nan 0.000 0.533 607 E N 1.280 121.509 120.200 0.048 0.000 2.266 607 E HA 0.477 4.824 4.350 -0.004 0.000 0.277 607 E C 1.011 177.630 176.600 0.031 0.000 1.018 607 E CA 0.169 56.593 56.400 0.041 0.000 0.840 607 E CB 0.926 30.664 29.700 0.063 0.000 1.082 607 E HN 0.416 nan 8.360 nan 0.000 0.395 608 T N -0.483 114.063 114.554 -0.013 0.000 2.824 608 T HA 0.133 4.480 4.350 -0.004 0.000 0.277 608 T C 1.189 175.800 174.700 -0.148 0.000 0.975 608 T CA -0.640 61.431 62.100 -0.048 0.000 0.966 608 T CB 0.934 69.761 68.868 -0.068 0.000 1.054 608 T HN 0.580 nan 8.240 nan 0.000 0.533 609 M N 0.345 119.767 119.600 -0.297 0.000 2.086 609 M HA -0.139 4.339 4.480 -0.004 0.000 0.261 609 M C 1.314 177.272 176.300 -0.570 0.000 1.067 609 M CA 2.055 56.872 55.300 -0.805 0.000 1.116 609 M CB -0.596 31.425 32.600 -0.965 0.000 1.348 609 M HN 0.636 nan 8.290 nan 0.000 0.407 610 D N 0.289 120.497 120.400 -0.321 0.000 2.123 610 D HA -0.195 4.443 4.640 -0.004 0.000 0.196 610 D C 2.034 178.270 176.300 -0.107 0.000 0.992 610 D CA 1.493 55.378 54.000 -0.191 0.000 0.833 610 D CB -0.403 40.313 40.800 -0.139 0.000 0.954 610 D HN 0.589 nan 8.370 nan 0.000 0.455 611 Q N 0.207 119.949 119.800 -0.098 0.000 2.046 611 Q HA -0.035 4.303 4.340 -0.004 0.000 0.200 611 Q C 2.267 178.282 176.000 0.025 0.000 0.975 611 Q CA 1.341 57.134 55.803 -0.016 0.000 0.836 611 Q CB -0.114 28.614 28.738 -0.017 0.000 0.896 611 Q HN 0.225 nan 8.270 nan 0.000 0.428 612 A N 0.393 123.193 122.820 -0.034 0.000 1.883 612 A HA -0.162 4.155 4.320 -0.004 0.000 0.217 612 A C 2.320 179.917 177.584 0.022 0.000 1.186 612 A CA 1.571 53.624 52.037 0.027 0.000 0.624 612 A CB -0.803 18.239 19.000 0.070 0.000 0.822 612 A HN 0.225 nan 8.150 nan 0.000 0.444 613 V N -1.720 118.144 119.914 -0.083 0.000 2.515 613 V HA -0.234 3.883 4.120 -0.004 0.000 0.250 613 V C 2.319 178.429 176.094 0.027 0.000 1.058 613 V CA 1.909 64.184 62.300 -0.042 0.000 1.064 613 V CB -0.982 30.763 31.823 -0.129 0.000 0.675 613 V HN 0.666 nan 8.190 nan 0.000 0.461 614 Y N 1.154 121.412 120.300 -0.070 0.000 2.200 614 Y HA -0.195 4.352 4.550 -0.004 0.000 0.290 614 Y C 2.779 178.656 175.900 -0.038 0.000 1.137 614 Y CA 2.129 60.201 58.100 -0.047 0.000 1.163 614 Y CB -0.214 38.222 38.460 -0.040 0.000 0.988 614 Y HN 0.116 nan 8.280 nan 0.000 0.518 615 R N 0.369 120.913 120.500 0.074 0.000 2.066 615 R HA -0.171 4.167 4.340 -0.004 0.000 0.232 615 R C 2.040 178.317 176.300 -0.038 0.000 1.131 615 R CA 2.054 58.163 56.100 0.016 0.000 0.955 615 R CB -0.316 30.026 30.300 0.069 0.000 0.851 615 R HN 0.404 nan 8.270 nan 0.000 0.432 616 E N 0.088 120.287 120.200 -0.002 0.000 2.051 616 E HA -0.148 4.200 4.350 -0.004 0.000 0.192 616 E C 2.094 178.608 176.600 -0.144 0.000 0.991 616 E CA 1.731 58.123 56.400 -0.013 0.000 0.799 616 E CB -0.030 29.724 29.700 0.090 0.000 0.748 616 E HN 0.298 nan 8.360 nan 0.000 0.449 617 S N 0.674 116.268 115.700 -0.177 0.000 2.400 617 S HA -0.184 4.284 4.470 -0.004 0.000 0.232 617 S C 1.864 176.286 174.600 -0.296 0.000 1.025 617 S CA 1.364 59.407 58.200 -0.261 0.000 0.993 617 S CB -0.094 62.962 63.200 -0.241 0.000 0.808 617 S HN 0.059 nan 8.310 nan 0.000 0.478 618 K N 1.895 122.125 120.400 -0.285 0.000 2.098 618 K HA 0.252 4.569 4.320 -0.004 0.000 0.203 618 K C 2.029 178.522 176.600 -0.179 0.000 1.051 618 K CA 1.071 57.200 56.287 -0.262 0.000 0.957 618 K CB -0.657 31.676 32.500 -0.278 0.000 0.738 618 K HN 0.183 nan 8.250 nan 0.000 0.447 619 A N 0.300 123.039 122.820 -0.136 0.000 1.908 619 A HA -0.126 4.191 4.320 -0.004 0.000 0.218 619 A C 2.260 179.786 177.584 -0.097 0.000 1.181 619 A CA 1.928 53.916 52.037 -0.083 0.000 0.627 619 A CB -0.876 18.104 19.000 -0.033 0.000 0.818 619 A HN 0.121 nan 8.150 nan 0.000 0.445 620 V N 0.043 119.858 119.914 -0.165 0.000 2.343 620 V HA -0.265 3.853 4.120 -0.004 0.000 0.247 620 V C 2.629 178.640 176.094 -0.138 0.000 1.051 620 V CA 2.267 64.460 62.300 -0.178 0.000 1.036 620 V CB -0.772 30.828 31.823 -0.371 0.000 0.654 620 V HN 0.531 nan 8.190 nan 0.000 0.451 621 R N -0.407 119.992 120.500 -0.169 0.000 2.153 621 R HA -0.078 4.259 4.340 -0.004 0.000 0.218 621 R C 1.925 178.174 176.300 -0.085 0.000 1.072 621 R CA 1.159 57.179 56.100 -0.133 0.000 0.990 621 R CB -0.306 29.876 30.300 -0.196 0.000 0.889 621 R HN 0.514 nan 8.270 nan 0.000 0.452 622 D N -0.379 119.970 120.400 -0.085 0.000 2.123 622 D HA -0.059 4.578 4.640 -0.004 0.000 0.200 622 D C 1.532 177.807 176.300 -0.041 0.000 0.976 622 D CA 1.299 55.266 54.000 -0.055 0.000 0.831 622 D CB 0.291 41.063 40.800 -0.048 0.000 0.974 622 D HN 0.046 nan 8.370 nan 0.000 0.469 623 S N -1.812 113.865 115.700 -0.039 0.000 4.948 623 S HA 0.303 4.771 4.470 -0.004 0.000 0.154 623 S C -0.668 173.909 174.600 -0.039 0.000 1.026 623 S CA -0.063 58.118 58.200 -0.031 0.000 1.308 623 S CB 0.474 63.689 63.200 0.026 0.000 1.915 623 S HN -0.033 nan 8.310 nan 0.000 0.680 624 V N 0.769 120.682 119.914 -0.002 0.000 3.098 624 V HA 0.740 4.857 4.120 -0.004 0.000 0.294 624 V C -0.744 175.379 176.094 0.049 0.000 1.351 624 V CA 0.393 62.701 62.300 0.013 0.000 0.999 624 V CB 1.347 33.175 31.823 0.009 0.000 1.104 624 V HN 0.819 nan 8.190 nan 0.000 0.438 625 G N 4.907 113.765 108.800 0.097 0.000 2.658 625 G HA2 0.827 4.785 3.960 -0.004 0.000 0.292 625 G HA3 0.827 4.785 3.960 -0.004 0.000 0.292 625 G C -1.082 173.964 174.900 0.244 0.000 1.320 625 G CA -0.663 44.567 45.100 0.216 0.000 0.933 625 G HN 1.334 nan 8.290 nan 0.000 0.476 626 M N -0.112 119.598 119.600 0.183 0.000 2.386 626 M HA 0.849 5.327 4.480 -0.004 0.000 0.293 626 M C -1.961 174.244 176.300 -0.159 0.000 1.120 626 M CA -1.033 54.213 55.300 -0.090 0.000 0.909 626 M CB 2.523 34.843 32.600 -0.467 0.000 1.661 626 M HN 0.523 nan 8.290 nan 0.000 0.452 627 L N 1.957 123.098 121.223 -0.137 0.000 2.431 627 L HA 0.588 4.926 4.340 -0.004 0.000 0.266 627 L C -1.383 175.629 176.870 0.237 0.000 0.978 627 L CA -0.037 54.721 54.840 -0.137 0.000 0.822 627 L CB 2.163 43.821 42.059 -0.669 0.000 1.310 627 L HN 0.823 nan 8.230 nan 0.000 0.409 628 D N 3.948 124.477 120.400 0.214 0.000 2.402 628 D HA 0.343 4.980 4.640 -0.004 0.000 0.235 628 D C 0.289 176.592 176.300 0.005 0.000 1.226 628 D CA 0.340 54.404 54.000 0.106 0.000 0.918 628 D CB 1.471 42.221 40.800 -0.084 0.000 1.043 628 D HN 0.699 nan 8.370 nan 0.000 0.506 629 A N 3.198 126.032 122.820 0.023 0.000 2.462 629 A HA 0.106 4.423 4.320 -0.004 0.000 0.261 629 A C 1.816 179.356 177.584 -0.073 0.000 1.323 629 A CA -0.231 51.786 52.037 -0.033 0.000 0.913 629 A CB -0.093 18.904 19.000 -0.004 0.000 1.028 629 A HN 0.517 nan 8.150 nan 0.000 0.511 630 T N 0.527 115.025 114.554 -0.094 0.000 2.759 630 T HA -0.164 4.184 4.350 -0.004 0.000 0.269 630 T C 2.172 176.705 174.700 -0.278 0.000 1.042 630 T CA 2.233 64.257 62.100 -0.128 0.000 1.140 630 T CB -0.424 68.385 68.868 -0.099 0.000 0.864 630 T HN 0.812 nan 8.240 nan 0.000 0.455 631 T N -0.079 114.151 114.554 -0.540 0.000 3.098 631 T HA 0.085 4.433 4.350 -0.004 0.000 0.266 631 T C 0.677 175.138 174.700 -0.399 0.000 1.145 631 T CA -0.021 61.531 62.100 -0.913 0.000 1.092 631 T CB -0.576 67.406 68.868 -1.476 0.000 0.908 631 T HN 0.020 nan 8.240 nan 0.000 0.526 632 L N 2.263 123.365 121.223 -0.200 0.000 2.483 632 L HA 0.476 4.814 4.340 -0.004 0.000 0.276 632 L C 1.272 178.133 176.870 -0.014 0.000 1.213 632 L CA 0.348 55.142 54.840 -0.077 0.000 0.843 632 L CB -0.022 42.027 42.059 -0.018 0.000 1.107 632 L HN 0.368 nan 8.230 nan 0.000 0.487 633 G N 2.825 111.627 108.800 0.003 0.000 2.442 633 G HA2 0.395 4.352 3.960 -0.004 0.000 0.249 633 G HA3 0.395 4.352 3.960 -0.004 0.000 0.249 633 G C -0.671 174.195 174.900 -0.056 0.000 1.263 633 G CA -0.472 44.633 45.100 0.008 0.000 0.846 633 G HN 0.595 nan 8.290 nan 0.000 0.555 634 K N 1.485 121.833 120.400 -0.086 0.000 2.535 634 K HA 0.438 4.756 4.320 -0.004 0.000 0.250 634 K C -1.211 175.312 176.600 -0.127 0.000 0.948 634 K CA -0.534 55.620 56.287 -0.221 0.000 0.796 634 K CB 2.571 34.917 32.500 -0.256 0.000 1.216 634 K HN 0.357 nan 8.250 nan 0.000 0.432 635 I N 1.836 122.332 120.570 -0.122 0.000 2.478 635 I HA 0.209 4.377 4.170 -0.004 0.000 0.287 635 I C -0.518 175.587 176.117 -0.019 0.000 1.042 635 I CA -0.662 60.619 61.300 -0.033 0.000 1.067 635 I CB 2.152 40.169 38.000 0.029 0.000 1.233 635 I HN 0.600 nan 8.210 nan 0.000 0.431 636 E N 7.586 127.784 120.200 -0.003 0.000 2.174 636 E HA 0.572 4.920 4.350 -0.004 0.000 0.282 636 E C -1.080 175.561 176.600 0.068 0.000 0.992 636 E CA -0.637 55.777 56.400 0.024 0.000 0.803 636 E CB 1.427 31.127 29.700 0.001 0.000 1.090 636 E HN 0.596 nan 8.360 nan 0.000 0.396 637 I N 1.227 121.870 120.570 0.123 0.000 2.646 637 I HA 0.671 4.838 4.170 -0.004 0.000 0.299 637 I C -0.856 175.355 176.117 0.157 0.000 1.036 637 I CA -1.109 60.278 61.300 0.145 0.000 1.074 637 I CB 2.012 40.134 38.000 0.203 0.000 1.258 637 I HN 0.441 nan 8.210 nan 0.000 0.430 638 R N 3.690 124.257 120.500 0.111 0.000 2.604 638 R HA 0.808 5.145 4.340 -0.004 0.000 0.281 638 R C -1.038 175.307 176.300 0.076 0.000 1.020 638 R CA -0.337 55.819 56.100 0.094 0.000 0.899 638 R CB 2.279 32.610 30.300 0.051 0.000 1.205 638 R HN 1.210 nan 8.270 nan 0.000 0.450 639 G N 2.229 111.081 108.800 0.086 0.000 2.340 639 G HA2 0.044 4.002 3.960 -0.004 0.000 0.300 639 G HA3 0.044 4.002 3.960 -0.004 0.000 0.300 639 G C -0.802 174.146 174.900 0.081 0.000 1.488 639 G CA -0.761 44.376 45.100 0.062 0.000 0.878 639 G HN 0.449 nan 8.290 nan 0.000 0.618 640 K N -0.228 120.206 120.400 0.056 0.000 2.211 640 K HA 0.081 4.398 4.320 -0.004 0.000 0.203 640 K C 1.285 177.932 176.600 0.077 0.000 1.050 640 K CA 1.434 57.757 56.287 0.060 0.000 0.945 640 K CB 0.205 32.728 32.500 0.038 0.000 0.732 640 K HN 0.439 nan 8.250 nan 0.000 0.451 641 D N -0.823 119.618 120.400 0.069 0.000 2.368 641 D HA 0.160 4.797 4.640 -0.004 0.000 0.218 641 D C 1.165 177.538 176.300 0.122 0.000 1.112 641 D CA 0.212 54.255 54.000 0.071 0.000 0.834 641 D CB 0.563 41.380 40.800 0.028 0.000 0.953 641 D HN 0.067 nan 8.370 nan 0.000 0.505 642 A N 1.346 124.270 122.820 0.173 0.000 1.883 642 A HA -0.157 4.160 4.320 -0.004 0.000 0.217 642 A C 2.333 179.994 177.584 0.127 0.000 1.186 642 A CA 2.083 54.261 52.037 0.235 0.000 0.624 642 A CB -0.502 18.734 19.000 0.392 0.000 0.822 642 A HN 0.268 nan 8.150 nan 0.000 0.444 643 A N -1.068 121.861 122.820 0.181 0.000 1.902 643 A HA -0.162 4.155 4.320 -0.004 0.000 0.217 643 A C 2.056 179.646 177.584 0.010 0.000 1.181 643 A CA 1.824 53.878 52.037 0.028 0.000 0.623 643 A CB -0.459 18.684 19.000 0.238 0.000 0.818 643 A HN 0.454 nan 8.150 nan 0.000 0.443 644 E N -0.889 119.345 120.200 0.057 0.000 2.110 644 E HA -0.162 4.186 4.350 -0.004 0.000 0.193 644 E C 1.713 178.312 176.600 -0.002 0.000 0.988 644 E CA 0.967 57.377 56.400 0.016 0.000 0.804 644 E CB -0.380 29.322 29.700 0.002 0.000 0.745 644 E HN 0.575 nan 8.360 nan 0.000 0.458 645 F N 1.213 121.089 119.950 -0.123 0.000 2.134 645 F HA -0.132 4.392 4.527 -0.004 0.000 0.299 645 F C 2.157 177.884 175.800 -0.122 0.000 1.097 645 F CA 1.050 58.972 58.000 -0.131 0.000 1.264 645 F CB -0.465 38.508 39.000 -0.045 0.000 1.001 645 F HN -0.041 nan 8.300 nan 0.000 0.479 646 L N -0.022 121.058 121.223 -0.238 0.000 2.131 646 L HA -0.261 4.077 4.340 -0.004 0.000 0.210 646 L C 2.128 178.893 176.870 -0.175 0.000 1.092 646 L CA 1.630 56.248 54.840 -0.370 0.000 0.759 646 L CB -0.862 40.777 42.059 -0.699 0.000 0.903 646 L HN 0.235 nan 8.230 nan 0.000 0.435 647 N N -0.322 118.336 118.700 -0.070 0.000 2.309 647 N HA -0.134 4.603 4.740 -0.004 0.000 0.182 647 N C 1.844 177.347 175.510 -0.011 0.000 1.018 647 N CA 0.635 53.705 53.050 0.033 0.000 0.876 647 N CB 0.107 38.616 38.487 0.036 0.000 0.972 647 N HN 0.362 nan 8.380 nan 0.000 0.434 648 R N 0.134 120.543 120.500 -0.153 0.000 2.140 648 R HA 0.119 4.456 4.340 -0.004 0.000 0.213 648 R C 1.797 177.997 176.300 -0.167 0.000 1.059 648 R CA 0.486 56.478 56.100 -0.180 0.000 1.000 648 R CB 0.141 30.166 30.300 -0.459 0.000 0.910 648 R HN 0.164 nan 8.270 nan 0.000 0.455 649 I N -0.100 120.266 120.570 -0.340 0.000 2.277 649 I HA -0.091 4.076 4.170 -0.004 0.000 0.243 649 I C 0.754 176.690 176.117 -0.302 0.000 1.094 649 I CA 0.974 62.031 61.300 -0.405 0.000 1.393 649 I CB -0.510 37.071 38.000 -0.697 0.000 1.078 649 I HN -0.034 nan 8.210 nan 0.000 0.417 650 Y N 1.270 121.437 120.300 -0.222 0.000 2.307 650 Y HA 0.073 4.621 4.550 -0.003 0.000 0.324 650 Y C 2.102 177.796 175.900 -0.342 0.000 1.238 650 Y CA -0.058 57.916 58.100 -0.210 0.000 1.280 650 Y CB 0.756 39.109 38.460 -0.177 0.000 1.248 650 Y HN 0.058 nan 8.280 nan 0.000 0.508 651 T N -2.142 112.195 114.554 -0.362 0.000 2.904 651 T HA -0.083 4.265 4.350 -0.004 0.000 0.267 651 T C 0.489 174.769 174.700 -0.699 0.000 1.059 651 T CA 0.880 62.320 62.100 -1.101 0.000 1.137 651 T CB -0.425 67.996 68.868 -0.745 0.000 0.879 651 T HN 0.639 nan 8.240 nan 0.000 0.467 652 N N 1.408 119.954 118.700 -0.256 0.000 2.530 652 N HA 0.510 5.248 4.740 -0.004 0.000 0.283 652 N C 0.066 175.519 175.510 -0.095 0.000 1.238 652 N CA -0.628 52.311 53.050 -0.185 0.000 0.971 652 N CB 0.494 38.854 38.487 -0.213 0.000 1.195 652 N HN 0.288 nan 8.380 nan 0.000 0.583 653 G N -1.928 106.744 108.800 -0.214 0.000 2.389 653 G HA2 0.468 4.425 3.960 -0.004 0.000 0.317 653 G HA3 0.468 4.425 3.960 -0.004 0.000 0.317 653 G C -1.011 173.575 174.900 -0.524 0.000 1.137 653 G CA -0.422 44.574 45.100 -0.174 0.000 0.870 653 G HN 0.601 nan 8.290 nan 0.000 0.496 654 Y N -0.362 119.897 120.300 -0.069 0.000 2.540 654 Y HA 0.070 4.618 4.550 -0.004 0.000 0.257 654 Y C 2.797 178.720 175.900 0.038 0.000 1.090 654 Y CA 0.441 58.503 58.100 -0.062 0.000 1.242 654 Y CB 0.628 38.947 38.460 -0.235 0.000 1.325 654 Y HN 0.666 nan 8.280 nan 0.000 0.544 655 T N -1.736 112.895 114.554 0.129 0.000 2.803 655 T HA -0.143 4.205 4.350 -0.004 0.000 0.269 655 T C 1.517 176.290 174.700 0.123 0.000 1.052 655 T CA 1.287 63.471 62.100 0.139 0.000 1.136 655 T CB -0.016 68.906 68.868 0.089 0.000 0.864 655 T HN -0.060 nan 8.240 nan 0.000 0.467 656 K N 0.619 121.061 120.400 0.071 0.000 2.374 656 K HA 0.360 4.677 4.320 -0.004 0.000 0.196 656 K C 0.461 177.094 176.600 0.055 0.000 1.023 656 K CA -0.378 55.941 56.287 0.052 0.000 1.103 656 K CB -0.286 32.227 32.500 0.022 0.000 0.848 656 K HN 0.392 nan 8.250 nan 0.000 0.528 657 L N 2.199 123.477 121.223 0.092 0.000 2.490 657 L HA -0.004 4.333 4.340 -0.004 0.000 0.274 657 L C -0.083 176.850 176.870 0.106 0.000 1.201 657 L CA 0.529 55.432 54.840 0.105 0.000 0.869 657 L CB 0.262 42.452 42.059 0.219 0.000 1.123 657 L HN -0.053 nan 8.230 nan 0.000 0.484 658 K N 3.759 124.192 120.400 0.054 0.000 2.218 658 K HA 0.333 4.651 4.320 -0.004 0.000 0.276 658 K C -0.651 175.950 176.600 0.002 0.000 1.022 658 K CA -0.898 55.398 56.287 0.015 0.000 0.946 658 K CB 1.196 33.685 32.500 -0.018 0.000 1.000 658 K HN 0.465 nan 8.250 nan 0.000 0.468 659 V N 2.111 122.005 119.914 -0.033 0.000 2.673 659 V HA 0.054 4.172 4.120 -0.004 0.000 0.303 659 V C 1.386 177.394 176.094 -0.143 0.000 1.046 659 V CA 1.689 63.959 62.300 -0.052 0.000 1.126 659 V CB 0.497 32.280 31.823 -0.066 0.000 0.934 659 V HN 1.166 nan 8.190 nan 0.000 0.487 660 G N 4.056 112.705 108.800 -0.251 0.000 2.176 660 G HA2 -0.173 3.785 3.960 -0.004 0.000 0.232 660 G HA3 -0.173 3.785 3.960 -0.004 0.000 0.232 660 G C -0.078 174.406 174.900 -0.693 0.000 0.986 660 G CA 0.026 44.574 45.100 -0.920 0.000 0.643 660 G HN 0.442 nan 8.290 nan 0.000 0.522 661 M N 0.375 119.906 119.600 -0.115 0.000 2.664 661 M HA 0.700 5.178 4.480 -0.004 0.000 0.314 661 M C 0.581 177.019 176.300 0.231 0.000 1.200 661 M CA -0.320 55.002 55.300 0.037 0.000 0.916 661 M CB 1.464 34.065 32.600 0.001 0.000 1.717 661 M HN 0.412 nan 8.290 nan 0.000 0.470 662 G N 0.746 109.641 108.800 0.157 0.000 2.511 662 G HA2 0.827 4.785 3.960 -0.004 0.000 0.318 662 G HA3 0.827 4.785 3.960 -0.004 0.000 0.318 662 G C -1.430 173.506 174.900 0.059 0.000 1.210 662 G CA -0.629 44.555 45.100 0.139 0.000 0.969 662 G HN 0.682 nan 8.290 nan 0.000 0.484 663 R N -0.119 120.435 120.500 0.090 0.000 2.522 663 R HA 0.364 4.701 4.340 -0.004 0.000 0.283 663 R C -1.813 174.555 176.300 0.113 0.000 1.074 663 R CA -0.829 55.316 56.100 0.074 0.000 0.925 663 R CB 1.632 31.937 30.300 0.007 0.000 1.205 663 R HN 0.613 nan 8.270 nan 0.000 0.436 664 Y N 2.745 123.066 120.300 0.035 0.000 2.346 664 Y HA 0.557 5.104 4.550 -0.004 0.000 0.330 664 Y C -0.162 175.782 175.900 0.073 0.000 1.178 664 Y CA 1.057 59.191 58.100 0.057 0.000 1.331 664 Y CB 1.326 39.853 38.460 0.113 0.000 1.253 664 Y HN 0.741 nan 8.280 nan 0.000 0.529 665 G N 3.442 111.760 108.800 -0.803 0.000 2.690 665 G HA2 0.573 4.530 3.960 -0.004 0.000 0.291 665 G HA3 0.573 4.530 3.960 -0.004 0.000 0.291 665 G C -2.298 172.265 174.900 -0.562 0.000 1.403 665 G CA -0.854 43.917 45.100 -0.548 0.000 0.864 665 G HN 0.651 nan 8.290 nan 0.000 0.480 666 V N 1.091 120.882 119.914 -0.204 0.000 2.604 666 V HA 0.618 4.735 4.120 -0.004 0.000 0.305 666 V C -0.134 175.928 176.094 -0.054 0.000 1.043 666 V CA -0.613 61.606 62.300 -0.135 0.000 0.888 666 V CB 1.852 33.597 31.823 -0.130 0.000 0.995 666 V HN 0.784 nan 8.190 nan 0.000 0.429 667 M N 3.967 123.484 119.600 -0.137 0.000 2.205 667 M HA 0.558 5.036 4.480 -0.004 0.000 0.344 667 M C -1.262 175.056 176.300 0.031 0.000 1.085 667 M CA -0.070 55.121 55.300 -0.182 0.000 1.001 667 M CB 1.077 33.475 32.600 -0.337 0.000 1.626 667 M HN 0.746 nan 8.290 nan 0.000 0.442 668 C N 3.604 122.971 119.300 0.111 0.000 2.614 668 C HA 0.628 5.085 4.460 -0.004 0.000 0.320 668 C C 0.179 175.233 174.990 0.108 0.000 1.200 668 C CA -1.208 57.899 59.018 0.149 0.000 1.700 668 C CB 2.007 29.870 27.740 0.205 0.000 2.275 668 C HN 0.746 nan 8.230 nan 0.000 0.492 669 K N 0.894 121.270 120.400 -0.041 0.000 2.140 669 K HA 0.320 4.638 4.320 -0.004 0.000 0.237 669 K C 1.154 177.833 176.600 0.132 0.000 1.045 669 K CA -0.061 56.175 56.287 -0.086 0.000 0.896 669 K CB 0.117 32.459 32.500 -0.263 0.000 1.122 669 K HN 0.774 nan 8.250 nan 0.000 0.503 670 A N 1.008 123.963 122.820 0.225 0.000 2.125 670 A HA -0.161 4.157 4.320 -0.004 0.000 0.219 670 A C 1.130 178.721 177.584 0.011 0.000 1.156 670 A CA 1.939 54.060 52.037 0.140 0.000 0.671 670 A CB -0.551 18.573 19.000 0.206 0.000 0.794 670 A HN 0.723 nan 8.150 nan 0.000 0.459 671 D N -1.938 118.466 120.400 0.006 0.000 2.363 671 D HA 0.219 4.856 4.640 -0.004 0.000 0.226 671 D C 1.226 177.488 176.300 -0.063 0.000 1.020 671 D CA 0.917 54.901 54.000 -0.027 0.000 0.892 671 D CB -0.710 40.091 40.800 0.002 0.000 0.900 671 D HN 0.737 nan 8.370 nan 0.000 0.531 672 G N -0.351 108.401 108.800 -0.079 0.000 2.179 672 G HA2 -0.268 3.689 3.960 -0.004 0.000 0.260 672 G HA3 -0.268 3.689 3.960 -0.004 0.000 0.260 672 G C 0.153 175.185 174.900 0.219 0.000 0.977 672 G CA 0.380 45.431 45.100 -0.081 0.000 0.641 672 G HN 0.232 nan 8.290 nan 0.000 0.533 673 M N 0.742 120.425 119.600 0.138 0.000 2.249 673 M HA 0.448 4.926 4.480 -0.004 0.000 0.351 673 M C 1.202 177.588 176.300 0.143 0.000 1.180 673 M CA -1.202 54.187 55.300 0.149 0.000 1.127 673 M CB 0.574 33.234 32.600 0.100 0.000 1.546 673 M HN 0.118 nan 8.290 nan 0.000 0.461 674 I N 2.883 123.540 120.570 0.144 0.000 2.752 674 I HA -0.196 3.971 4.170 -0.004 0.000 0.289 674 I C 0.820 177.024 176.117 0.145 0.000 1.197 674 I CA 0.418 61.792 61.300 0.124 0.000 1.432 674 I CB 0.111 38.173 38.000 0.103 0.000 1.359 674 I HN 0.667 nan 8.210 nan 0.000 0.571 675 F N 5.405 125.305 119.950 -0.083 0.000 2.557 675 F HA 0.338 4.863 4.527 -0.003 0.000 0.278 675 F C 0.448 176.169 175.800 -0.132 0.000 1.051 675 F CA 0.454 58.360 58.000 -0.156 0.000 1.357 675 F CB 0.478 39.289 39.000 -0.316 0.000 1.104 675 F HN 0.443 nan 8.300 nan 0.000 0.654 676 D N -0.437 119.699 120.400 -0.440 0.000 2.692 676 D HA 0.256 4.894 4.640 -0.004 0.000 0.290 676 D C -2.062 174.097 176.300 -0.234 0.000 1.281 676 D CA 0.004 53.725 54.000 -0.465 0.000 0.804 676 D CB 2.301 42.617 40.800 -0.806 0.000 1.331 676 D HN 0.207 nan 8.370 nan 0.000 0.432 677 D N -0.840 119.467 120.400 -0.155 0.000 2.692 677 D HA 0.627 5.265 4.640 -0.004 0.000 0.290 677 D C -0.146 176.119 176.300 -0.057 0.000 1.281 677 D CA -0.265 53.673 54.000 -0.104 0.000 0.804 677 D CB 1.160 41.948 40.800 -0.019 0.000 1.331 677 D HN 0.734 nan 8.370 nan 0.000 0.432 678 G N -1.557 107.181 108.800 -0.103 0.000 2.356 678 G HA2 0.444 4.402 3.960 -0.004 0.000 0.288 678 G HA3 0.444 4.402 3.960 -0.004 0.000 0.288 678 G C -1.890 173.005 174.900 -0.009 0.000 1.302 678 G CA -0.301 44.806 45.100 0.011 0.000 0.887 678 G HN 0.748 nan 8.290 nan 0.000 0.521 679 V N 0.509 120.448 119.914 0.042 0.000 2.435 679 V HA 0.690 4.808 4.120 -0.004 0.000 0.290 679 V C 0.227 176.365 176.094 0.074 0.000 1.030 679 V CA -0.379 61.938 62.300 0.027 0.000 0.881 679 V CB 1.550 33.351 31.823 -0.037 0.000 0.983 679 V HN 0.833 nan 8.190 nan 0.000 0.445 680 T N 6.428 121.009 114.554 0.045 0.000 2.771 680 T HA 0.608 4.956 4.350 -0.004 0.000 0.281 680 T C -0.323 174.490 174.700 0.187 0.000 0.982 680 T CA -0.297 61.857 62.100 0.089 0.000 0.978 680 T CB 0.781 69.570 68.868 -0.131 0.000 0.930 680 T HN 0.343 nan 8.240 nan 0.000 0.447 681 L N 3.005 124.350 121.223 0.202 0.000 2.322 681 L HA 0.577 4.914 4.340 -0.004 0.000 0.279 681 L C 0.595 177.623 176.870 0.264 0.000 1.036 681 L CA -0.952 53.995 54.840 0.179 0.000 0.807 681 L CB 1.341 43.316 42.059 -0.140 0.000 1.226 681 L HN 0.420 nan 8.230 nan 0.000 0.433 682 R N 2.717 123.406 120.500 0.315 0.000 2.204 682 R HA 0.333 4.671 4.340 -0.004 0.000 0.341 682 R C 0.475 176.825 176.300 0.083 0.000 1.035 682 R CA -0.330 55.776 56.100 0.009 0.000 0.887 682 R CB 0.634 30.922 30.300 -0.019 0.000 1.114 682 R HN 0.738 nan 8.270 nan 0.000 0.473 683 L N 2.791 123.975 121.223 -0.065 0.000 2.341 683 L HA 0.303 4.640 4.340 -0.004 0.000 0.214 683 L C 0.734 177.597 176.870 -0.011 0.000 1.115 683 L CA 0.475 55.348 54.840 0.055 0.000 0.820 683 L CB 0.021 42.061 42.059 -0.031 0.000 0.944 683 L HN 0.695 nan 8.230 nan 0.000 0.452 684 A N -1.280 121.441 122.820 -0.165 0.000 2.536 684 A HA 0.249 4.566 4.320 -0.004 0.000 0.293 684 A C 0.522 177.972 177.584 -0.223 0.000 1.119 684 A CA -0.455 51.501 52.037 -0.135 0.000 0.654 684 A CB 0.681 19.630 19.000 -0.085 0.000 1.291 684 A HN -0.107 nan 8.150 nan 0.000 0.439 685 E N 0.369 120.494 120.200 -0.125 0.000 2.160 685 E HA -0.211 4.136 4.350 -0.004 0.000 0.195 685 E C 0.420 176.963 176.600 -0.094 0.000 0.991 685 E CA 2.007 58.350 56.400 -0.094 0.000 0.810 685 E CB 0.032 29.715 29.700 -0.028 0.000 0.742 685 E HN 0.672 nan 8.360 nan 0.000 0.466 686 D N -0.981 119.370 120.400 -0.082 0.000 2.462 686 D HA 0.085 4.723 4.640 -0.004 0.000 0.221 686 D C -0.093 176.201 176.300 -0.010 0.000 1.173 686 D CA -0.236 53.764 54.000 0.000 0.000 0.831 686 D CB 0.041 40.858 40.800 0.029 0.000 1.001 686 D HN -0.053 nan 8.370 nan 0.000 0.499 687 R N -0.294 120.088 120.500 -0.197 0.000 2.621 687 R HA 0.594 4.932 4.340 -0.004 0.000 0.284 687 R C -1.368 174.733 176.300 -0.331 0.000 0.998 687 R CA -0.600 55.435 56.100 -0.108 0.000 0.895 687 R CB 1.721 31.985 30.300 -0.060 0.000 1.195 687 R HN -0.121 nan 8.270 nan 0.000 0.450 688 F N 1.555 121.527 119.950 0.037 0.000 2.613 688 F HA 0.511 5.036 4.527 -0.004 0.000 0.314 688 F C -0.861 174.934 175.800 -0.007 0.000 1.075 688 F CA -1.130 56.885 58.000 0.026 0.000 0.945 688 F CB 1.793 40.805 39.000 0.021 0.000 1.310 688 F HN 0.180 nan 8.300 nan 0.000 0.467 689 L N 3.387 124.717 121.223 0.177 0.000 2.345 689 L HA 0.614 4.951 4.340 -0.004 0.000 0.274 689 L C -1.564 175.326 176.870 0.033 0.000 0.999 689 L CA -0.539 54.321 54.840 0.033 0.000 0.849 689 L CB 0.768 42.804 42.059 -0.038 0.000 1.220 689 L HN 0.392 nan 8.230 nan 0.000 0.422 690 L N 5.168 126.375 121.223 -0.027 0.000 2.312 690 L HA 0.443 4.781 4.340 -0.004 0.000 0.281 690 L C -0.463 176.319 176.870 -0.147 0.000 1.070 690 L CA -0.041 54.800 54.840 0.002 0.000 0.805 690 L CB 0.914 43.008 42.059 0.058 0.000 1.174 690 L HN 0.519 nan 8.230 nan 0.000 0.434 691 H N -0.005 119.060 119.070 -0.008 0.000 2.505 691 H HA 0.664 5.217 4.556 -0.004 0.000 0.338 691 H C 0.062 175.371 175.328 -0.033 0.000 1.057 691 H CA -0.585 55.447 56.048 -0.027 0.000 1.202 691 H CB 1.549 31.284 29.762 -0.046 0.000 1.466 691 H HN 0.697 nan 8.280 nan 0.000 0.499 692 T N -0.770 113.805 114.554 0.034 0.000 2.926 692 T HA 0.439 4.787 4.350 -0.004 0.000 0.289 692 T C 0.362 175.033 174.700 -0.048 0.000 1.054 692 T CA -0.935 61.147 62.100 -0.030 0.000 1.015 692 T CB 1.177 70.003 68.868 -0.069 0.000 1.167 692 T HN 0.602 nan 8.240 nan 0.000 0.526 693 T N -0.422 114.081 114.554 -0.085 0.000 2.903 693 T HA 0.161 4.509 4.350 -0.004 0.000 0.314 693 T C 1.467 176.142 174.700 -0.041 0.000 1.078 693 T CA 0.189 62.244 62.100 -0.075 0.000 1.114 693 T CB -0.134 68.690 68.868 -0.074 0.000 0.987 693 T HN 0.671 nan 8.240 nan 0.000 0.548 694 T N 2.666 117.198 114.554 -0.036 0.000 2.665 694 T HA -0.045 4.303 4.350 -0.004 0.000 0.268 694 T C 2.267 177.021 174.700 0.089 0.000 1.035 694 T CA 1.778 63.874 62.100 -0.008 0.000 1.151 694 T CB -1.013 67.809 68.868 -0.076 0.000 0.862 694 T HN 0.888 nan 8.240 nan 0.000 0.438 695 G N 0.329 109.171 108.800 0.070 0.000 2.448 695 G HA2 0.098 4.056 3.960 -0.004 0.000 0.218 695 G HA3 0.098 4.056 3.960 -0.004 0.000 0.218 695 G C 1.398 176.329 174.900 0.052 0.000 1.135 695 G CA 0.712 45.864 45.100 0.087 0.000 0.784 695 G HN 0.591 nan 8.290 nan 0.000 0.543 696 G N 0.097 108.894 108.800 -0.004 0.000 3.284 696 G HA2 0.390 4.347 3.960 -0.004 0.000 0.236 696 G HA3 0.390 4.347 3.960 -0.004 0.000 0.236 696 G C 1.571 176.455 174.900 -0.026 0.000 1.158 696 G CA 1.051 46.123 45.100 -0.046 0.000 0.774 696 G HN 0.469 nan 8.290 nan 0.000 0.545 697 A N 1.579 124.413 122.820 0.023 0.000 1.869 697 A HA 0.043 4.361 4.320 -0.004 0.000 0.218 697 A C 2.795 180.413 177.584 0.058 0.000 1.203 697 A CA 2.534 54.596 52.037 0.042 0.000 0.638 697 A CB -0.922 18.133 19.000 0.092 0.000 0.831 697 A HN 0.822 nan 8.150 nan 0.000 0.450 698 A N -0.542 122.319 122.820 0.068 0.000 1.902 698 A HA -0.175 4.143 4.320 -0.004 0.000 0.217 698 A C 1.762 179.409 177.584 0.106 0.000 1.181 698 A CA 1.952 54.033 52.037 0.072 0.000 0.623 698 A CB -0.657 18.374 19.000 0.052 0.000 0.818 698 A HN 0.500 nan 8.150 nan 0.000 0.443 699 D N -0.256 120.216 120.400 0.119 0.000 2.144 699 D HA -0.101 4.536 4.640 -0.004 0.000 0.199 699 D C 2.054 178.537 176.300 0.306 0.000 0.984 699 D CA 1.402 55.524 54.000 0.203 0.000 0.834 699 D CB -0.394 40.547 40.800 0.235 0.000 0.955 699 D HN 0.241 nan 8.370 nan 0.000 0.465 700 V N 0.950 120.979 119.914 0.191 0.000 2.307 700 V HA -0.193 3.925 4.120 -0.004 0.000 0.245 700 V C 2.468 178.734 176.094 0.288 0.000 1.045 700 V CA 1.000 63.429 62.300 0.215 0.000 1.024 700 V CB -0.474 31.355 31.823 0.009 0.000 0.651 700 V HN 0.131 nan 8.190 nan 0.000 0.449 701 L N 0.576 121.912 121.223 0.189 0.000 2.042 701 L HA -0.199 4.138 4.340 -0.004 0.000 0.210 701 L C 2.058 179.054 176.870 0.209 0.000 1.076 701 L CA 2.144 57.090 54.840 0.175 0.000 0.749 701 L CB -0.894 41.231 42.059 0.110 0.000 0.893 701 L HN 0.307 nan 8.230 nan 0.000 0.432 702 D N -1.190 119.337 120.400 0.212 0.000 2.144 702 D HA -0.267 4.370 4.640 -0.004 0.000 0.199 702 D C 1.843 178.322 176.300 0.297 0.000 0.984 702 D CA 1.399 55.518 54.000 0.198 0.000 0.834 702 D CB -0.497 40.402 40.800 0.165 0.000 0.955 702 D HN 0.624 nan 8.370 nan 0.000 0.465 703 W N 1.548 122.953 121.300 0.175 0.000 2.355 703 W HA -0.169 4.488 4.660 -0.005 0.000 0.309 703 W C 1.709 178.445 176.519 0.361 0.000 1.206 703 W CA 0.768 58.263 57.345 0.249 0.000 1.284 703 W CB -0.210 29.442 29.460 0.321 0.000 1.145 703 W HN -0.023 nan 8.180 nan 0.000 0.502 704 L N 0.511 121.999 121.223 0.440 0.000 2.046 704 L HA -0.234 4.103 4.340 -0.004 0.000 0.208 704 L C 2.670 179.716 176.870 0.294 0.000 1.077 704 L CA 1.349 56.443 54.840 0.422 0.000 0.747 704 L CB -1.128 41.197 42.059 0.443 0.000 0.896 704 L HN -0.085 nan 8.230 nan 0.000 0.432 705 E N 0.192 120.499 120.200 0.178 0.000 2.110 705 E HA -0.253 4.094 4.350 -0.004 0.000 0.193 705 E C 1.985 178.578 176.600 -0.011 0.000 0.988 705 E CA 1.067 57.507 56.400 0.066 0.000 0.804 705 E CB -0.075 29.655 29.700 0.050 0.000 0.745 705 E HN 0.511 nan 8.360 nan 0.000 0.458 706 E N -0.249 119.928 120.200 -0.038 0.000 2.058 706 E HA -0.202 4.146 4.350 -0.004 0.000 0.194 706 E C 1.872 178.211 176.600 -0.436 0.000 0.997 706 E CA 1.285 57.541 56.400 -0.240 0.000 0.801 706 E CB -0.131 29.392 29.700 -0.294 0.000 0.746 706 E HN 0.253 nan 8.360 nan 0.000 0.450 707 W N 0.684 121.758 121.300 -0.377 0.000 2.381 707 W HA -0.075 4.583 4.660 -0.003 0.000 0.301 707 W C 2.260 178.566 176.519 -0.356 0.000 1.205 707 W CA 0.642 57.660 57.345 -0.545 0.000 1.285 707 W CB -0.369 28.744 29.460 -0.579 0.000 1.133 707 W HN 0.126 nan 8.180 nan 0.000 0.521 708 L N -0.307 120.952 121.223 0.061 0.000 2.027 708 L HA -0.240 4.098 4.340 -0.004 0.000 0.206 708 L C 2.479 179.314 176.870 -0.059 0.000 1.074 708 L CA 1.439 56.278 54.840 -0.002 0.000 0.745 708 L CB -0.960 41.023 42.059 -0.127 0.000 0.898 708 L HN 0.061 nan 8.230 nan 0.000 0.433 709 Q N -0.881 118.858 119.800 -0.101 0.000 2.123 709 Q HA -0.141 4.197 4.340 -0.004 0.000 0.199 709 Q C 2.149 178.059 176.000 -0.150 0.000 0.966 709 Q CA 1.964 57.703 55.803 -0.107 0.000 0.845 709 Q CB -0.020 28.659 28.738 -0.098 0.000 0.907 709 Q HN 0.623 nan 8.270 nan 0.000 0.439 710 T N -2.705 111.702 114.554 -0.246 0.000 3.015 710 T HA 0.111 4.459 4.350 -0.004 0.000 0.250 710 T C 1.415 175.914 174.700 -0.335 0.000 1.057 710 T CA 0.164 62.093 62.100 -0.286 0.000 1.066 710 T CB 0.383 69.035 68.868 -0.360 0.000 0.959 710 T HN -0.012 nan 8.240 nan 0.000 0.488 711 E N -0.106 119.830 120.200 -0.441 0.000 2.357 711 E HA 0.165 4.513 4.350 -0.004 0.000 0.202 711 E C 0.042 176.471 176.600 -0.286 0.000 0.855 711 E CA 0.361 56.443 56.400 -0.529 0.000 1.048 711 E CB 0.402 29.488 29.700 -1.025 0.000 1.037 711 E HN 0.574 nan 8.360 nan 0.000 0.499 712 W N 3.487 124.815 121.300 0.046 0.000 1.689 712 W HA 0.314 4.973 4.660 -0.003 0.000 0.294 712 W C -1.894 174.613 176.519 -0.020 0.000 0.824 712 W CA -2.221 55.147 57.345 0.038 0.000 2.398 712 W CB 0.251 29.767 29.460 0.094 0.000 2.375 712 W HN 0.029 nan 8.180 nan 0.000 0.478 713 P HA -0.174 nan 4.420 nan 0.000 0.228 713 P C 1.132 178.462 177.300 0.049 0.000 1.151 713 P CA 1.541 64.667 63.100 0.045 0.000 0.770 713 P CB 0.176 31.880 31.700 0.007 0.000 0.786 714 D N -0.133 120.318 120.400 0.086 0.000 2.234 714 D HA -0.064 4.574 4.640 -0.004 0.000 0.205 714 D C 0.993 177.317 176.300 0.039 0.000 0.962 714 D CA 0.151 54.186 54.000 0.058 0.000 0.855 714 D CB -0.675 40.166 40.800 0.068 0.000 0.951 714 D HN 0.220 nan 8.370 nan 0.000 0.500 715 L N 1.593 122.848 121.223 0.053 0.000 2.453 715 L HA 0.038 4.376 4.340 -0.004 0.000 0.272 715 L C 0.320 177.172 176.870 -0.031 0.000 1.182 715 L CA -0.191 54.651 54.840 0.003 0.000 0.858 715 L CB 0.433 42.485 42.059 -0.012 0.000 1.120 715 L HN -0.109 nan 8.230 nan 0.000 0.474 716 D N 3.850 124.236 120.400 -0.023 0.000 2.483 716 D HA 0.355 4.993 4.640 -0.004 0.000 0.220 716 D C -1.004 175.275 176.300 -0.035 0.000 1.173 716 D CA -0.065 53.922 54.000 -0.022 0.000 0.964 716 D CB 0.415 41.216 40.800 0.001 0.000 1.046 716 D HN 0.080 nan 8.370 nan 0.000 0.517 717 V N 2.810 122.673 119.914 -0.085 0.000 2.733 717 V HA 0.468 4.586 4.120 -0.004 0.000 0.306 717 V C -0.049 175.987 176.094 -0.096 0.000 1.084 717 V CA -0.797 61.438 62.300 -0.108 0.000 0.905 717 V CB 2.277 33.916 31.823 -0.307 0.000 1.010 717 V HN 0.418 nan 8.190 nan 0.000 0.424 718 T N 3.147 117.681 114.554 -0.034 0.000 2.861 718 T HA 0.549 4.896 4.350 -0.004 0.000 0.287 718 T C -0.625 174.082 174.700 0.012 0.000 1.003 718 T CA -0.338 61.751 62.100 -0.018 0.000 0.977 718 T CB 1.325 70.191 68.868 -0.004 0.000 0.996 718 T HN 0.749 nan 8.240 nan 0.000 0.448 719 C N 2.397 121.707 119.300 0.017 0.000 2.456 719 C HA 0.893 5.351 4.460 -0.004 0.000 0.325 719 C C 0.263 175.273 174.990 0.035 0.000 1.217 719 C CA -0.696 58.351 59.018 0.048 0.000 1.687 719 C CB 1.308 29.095 27.740 0.077 0.000 2.270 719 C HN 0.900 nan 8.230 nan 0.000 0.499 720 T N 1.230 115.804 114.554 0.033 0.000 2.991 720 T HA 0.325 4.672 4.350 -0.004 0.000 0.303 720 T C -0.429 174.278 174.700 0.012 0.000 1.015 720 T CA -0.202 61.909 62.100 0.018 0.000 1.007 720 T CB 1.628 70.501 68.868 0.008 0.000 1.034 720 T HN 0.745 nan 8.240 nan 0.000 0.446 721 S N 1.780 117.487 115.700 0.011 0.000 2.531 721 S HA 0.300 4.768 4.470 -0.004 0.000 0.279 721 S C 1.023 175.616 174.600 -0.012 0.000 1.305 721 S CA -0.439 57.763 58.200 0.004 0.000 1.058 721 S CB 0.070 63.278 63.200 0.014 0.000 0.899 721 S HN 0.750 nan 8.310 nan 0.000 0.493 722 V N 2.669 122.566 119.914 -0.028 0.000 3.252 722 V HA 0.255 4.373 4.120 -0.004 0.000 0.320 722 V C 1.437 177.511 176.094 -0.034 0.000 1.459 722 V CA 0.263 62.539 62.300 -0.040 0.000 1.095 722 V CB -0.738 31.052 31.823 -0.055 0.000 0.997 722 V HN 0.758 nan 8.190 nan 0.000 0.469 723 T N 1.443 115.990 114.554 -0.011 0.000 2.620 723 T HA -0.229 4.119 4.350 -0.004 0.000 0.267 723 T C 1.575 176.310 174.700 0.058 0.000 1.044 723 T CA 2.652 64.769 62.100 0.028 0.000 1.161 723 T CB -0.239 68.677 68.868 0.080 0.000 0.862 723 T HN 0.683 nan 8.240 nan 0.000 0.438 724 E N 0.367 120.600 120.200 0.055 0.000 2.478 724 E HA -0.019 4.329 4.350 -0.004 0.000 0.194 724 E C 2.170 178.760 176.600 -0.016 0.000 1.045 724 E CA 0.185 56.620 56.400 0.059 0.000 0.868 724 E CB -0.025 29.703 29.700 0.046 0.000 0.885 724 E HN 0.393 nan 8.360 nan 0.000 0.505 725 Q N 0.695 120.465 119.800 -0.051 0.000 2.230 725 Q HA 0.006 4.344 4.340 -0.004 0.000 0.202 725 Q C 0.303 176.233 176.000 -0.117 0.000 0.963 725 Q CA 0.768 56.500 55.803 -0.119 0.000 0.866 725 Q CB 0.250 28.924 28.738 -0.107 0.000 0.931 725 Q HN 0.138 nan 8.270 nan 0.000 0.452 726 L N 0.493 121.686 121.223 -0.050 0.000 2.346 726 L HA 0.803 5.141 4.340 -0.004 0.000 0.274 726 L C -0.794 176.085 176.870 0.015 0.000 1.007 726 L CA -1.035 53.793 54.840 -0.020 0.000 0.818 726 L CB 2.018 44.076 42.059 -0.000 0.000 1.284 726 L HN -0.008 nan 8.230 nan 0.000 0.424 727 A N 1.391 124.232 122.820 0.035 0.000 2.350 727 A HA 0.896 5.213 4.320 -0.004 0.000 0.324 727 A C -0.613 177.015 177.584 0.073 0.000 1.118 727 A CA -0.427 51.643 52.037 0.055 0.000 0.783 727 A CB 1.568 20.615 19.000 0.078 0.000 1.236 727 A HN 0.623 nan 8.150 nan 0.000 0.457 728 T N 1.118 115.714 114.554 0.070 0.000 2.886 728 T HA 0.537 4.885 4.350 -0.004 0.000 0.292 728 T C -0.964 173.814 174.700 0.129 0.000 1.012 728 T CA -0.365 61.788 62.100 0.088 0.000 0.982 728 T CB 1.495 70.398 68.868 0.059 0.000 1.018 728 T HN 0.503 nan 8.240 nan 0.000 0.451 729 V N 2.439 122.440 119.914 0.145 0.000 2.378 729 V HA 0.728 4.845 4.120 -0.004 0.000 0.288 729 V C 0.164 176.321 176.094 0.106 0.000 1.016 729 V CA -0.936 61.471 62.300 0.179 0.000 0.840 729 V CB 1.280 33.192 31.823 0.149 0.000 0.994 729 V HN 1.100 nan 8.190 nan 0.000 0.431 730 A N 5.148 128.027 122.820 0.098 0.000 2.260 730 A HA 0.743 5.060 4.320 -0.004 0.000 0.308 730 A C -0.458 177.173 177.584 0.077 0.000 1.254 730 A CA -0.399 51.691 52.037 0.088 0.000 0.874 730 A CB 0.825 19.878 19.000 0.090 0.000 1.153 730 A HN 0.687 nan 8.150 nan 0.000 0.527 731 V N 4.220 124.196 119.914 0.102 0.000 2.328 731 V HA 0.433 4.551 4.120 -0.004 0.000 0.278 731 V C -0.303 175.882 176.094 0.152 0.000 1.021 731 V CA -0.349 62.005 62.300 0.091 0.000 0.838 731 V CB 1.017 32.877 31.823 0.062 0.000 0.999 731 V HN 0.625 nan 8.190 nan 0.000 0.447 732 V N 3.675 123.685 119.914 0.160 0.000 2.656 732 V HA 1.042 5.159 4.120 -0.004 0.000 0.307 732 V C 0.429 176.569 176.094 0.076 0.000 1.051 732 V CA 0.193 62.581 62.300 0.147 0.000 0.893 732 V CB 1.345 33.306 31.823 0.231 0.000 0.999 732 V HN 1.247 nan 8.190 nan 0.000 0.426 733 G N 5.168 113.991 108.800 0.037 0.000 2.381 733 G HA2 0.066 4.024 3.960 -0.004 0.000 0.672 733 G HA3 0.066 4.024 3.960 -0.004 0.000 0.672 733 G C -2.440 172.447 174.900 -0.021 0.000 1.324 733 G CA -0.103 44.991 45.100 -0.010 0.000 0.975 733 G HN 0.482 nan 8.290 nan 0.000 0.593 734 P HA -0.116 nan 4.420 nan 0.000 0.218 734 P C 1.212 178.441 177.300 -0.119 0.000 1.148 734 P CA 1.047 64.106 63.100 -0.068 0.000 0.822 734 P CB 0.129 31.786 31.700 -0.070 0.000 0.784 735 R N 0.066 120.456 120.500 -0.183 0.000 2.334 735 R HA 0.132 4.469 4.340 -0.004 0.000 0.220 735 R C 2.150 178.283 176.300 -0.280 0.000 0.917 735 R CA 0.446 56.321 56.100 -0.375 0.000 1.073 735 R CB -0.912 29.005 30.300 -0.637 0.000 1.056 735 R HN 0.345 nan 8.270 nan 0.000 0.506 736 S N 0.383 116.029 115.700 -0.089 0.000 2.382 736 S HA -0.185 4.283 4.470 -0.004 0.000 0.228 736 S C 2.053 176.580 174.600 -0.121 0.000 1.027 736 S CA 0.820 59.020 58.200 -0.000 0.000 0.991 736 S CB -0.162 63.163 63.200 0.208 0.000 0.823 736 S HN 0.300 nan 8.310 nan 0.000 0.469 737 R N 1.502 121.957 120.500 -0.074 0.000 2.073 737 R HA -0.131 4.207 4.340 -0.004 0.000 0.234 737 R C 1.459 177.589 176.300 -0.283 0.000 1.134 737 R CA 1.921 57.864 56.100 -0.261 0.000 0.952 737 R CB -0.499 29.782 30.300 -0.032 0.000 0.850 737 R HN 0.341 nan 8.270 nan 0.000 0.433 738 D N -0.056 120.196 120.400 -0.247 0.000 2.144 738 D HA -0.131 4.507 4.640 -0.004 0.000 0.199 738 D C 1.951 178.188 176.300 -0.105 0.000 0.984 738 D CA 1.162 55.037 54.000 -0.209 0.000 0.834 738 D CB -0.147 40.404 40.800 -0.416 0.000 0.955 738 D HN 0.109 nan 8.370 nan 0.000 0.465 739 V N 1.522 121.361 119.914 -0.125 0.000 2.295 739 V HA -0.205 3.912 4.120 -0.004 0.000 0.246 739 V C 2.454 178.482 176.094 -0.110 0.000 1.049 739 V CA 0.953 63.238 62.300 -0.026 0.000 1.024 739 V CB -0.238 31.570 31.823 -0.024 0.000 0.648 739 V HN 0.171 nan 8.190 nan 0.000 0.447 740 I N 0.739 121.160 120.570 -0.249 0.000 2.264 740 I HA -0.229 3.938 4.170 -0.004 0.000 0.248 740 I C 2.713 178.711 176.117 -0.198 0.000 1.111 740 I CA 1.948 63.069 61.300 -0.299 0.000 1.382 740 I CB -1.693 35.912 38.000 -0.659 0.000 1.060 740 I HN 0.319 nan 8.210 nan 0.000 0.418 741 A N 0.946 123.653 122.820 -0.187 0.000 1.940 741 A HA -0.216 4.101 4.320 -0.004 0.000 0.219 741 A C 2.310 179.863 177.584 -0.052 0.000 1.176 741 A CA 1.556 53.532 52.037 -0.102 0.000 0.631 741 A CB -0.503 18.448 19.000 -0.081 0.000 0.814 741 A HN 0.400 nan 8.150 nan 0.000 0.446 742 K N -0.625 119.754 120.400 -0.036 0.000 2.288 742 K HA 0.112 4.429 4.320 -0.004 0.000 0.201 742 K C 1.534 178.120 176.600 -0.023 0.000 1.048 742 K CA 0.822 57.101 56.287 -0.013 0.000 0.956 742 K CB -0.178 32.330 32.500 0.013 0.000 0.746 742 K HN 0.471 nan 8.250 nan 0.000 0.461 743 L N -0.292 120.908 121.223 -0.039 0.000 2.249 743 L HA 0.089 4.427 4.340 -0.004 0.000 0.207 743 L C 0.841 177.698 176.870 -0.022 0.000 1.090 743 L CA 0.066 54.886 54.840 -0.033 0.000 0.802 743 L CB 0.295 42.328 42.059 -0.044 0.000 0.947 743 L HN -0.026 nan 8.230 nan 0.000 0.453 744 A N -0.666 122.138 122.820 -0.026 0.000 3.030 744 A HA 0.316 4.634 4.320 -0.004 0.000 0.335 744 A C 1.129 178.709 177.584 -0.006 0.000 1.089 744 A CA -0.113 51.920 52.037 -0.008 0.000 0.807 744 A CB 0.225 19.229 19.000 0.008 0.000 1.099 744 A HN 0.197 nan 8.150 nan 0.000 0.474 745 S N 0.122 115.818 115.700 -0.006 0.000 2.465 745 S HA -0.150 4.317 4.470 -0.004 0.000 0.241 745 S C 1.447 176.048 174.600 0.003 0.000 1.000 745 S CA 2.155 60.353 58.200 -0.004 0.000 0.964 745 S CB -0.335 62.864 63.200 -0.003 0.000 0.763 745 S HN 0.746 nan 8.310 nan 0.000 0.512 746 T N 0.840 115.398 114.554 0.007 0.000 3.107 746 T HA 0.327 4.675 4.350 -0.004 0.000 0.249 746 T C 0.134 174.842 174.700 0.015 0.000 1.096 746 T CA -0.129 61.976 62.100 0.009 0.000 1.012 746 T CB -0.315 68.557 68.868 0.008 0.000 0.977 746 T HN 0.236 nan 8.240 nan 0.000 0.527 747 V N 2.490 122.418 119.914 0.024 0.000 2.472 747 V HA 0.392 4.510 4.120 -0.004 0.000 0.290 747 V C -0.129 176.002 176.094 0.063 0.000 1.037 747 V CA -1.260 61.068 62.300 0.047 0.000 0.908 747 V CB 1.598 33.471 31.823 0.084 0.000 0.985 747 V HN 0.263 nan 8.190 nan 0.000 0.454 748 D N 3.534 123.977 120.400 0.072 0.000 2.352 748 D HA 0.184 4.822 4.640 -0.004 0.000 0.245 748 D C 0.610 177.040 176.300 0.217 0.000 1.224 748 D CA -0.222 53.834 54.000 0.093 0.000 0.879 748 D CB 1.455 42.290 40.800 0.057 0.000 1.057 748 D HN 0.397 nan 8.370 nan 0.000 0.491 749 V N 1.739 121.762 119.914 0.182 0.000 3.376 749 V HA 0.222 4.339 4.120 -0.004 0.000 0.313 749 V C 0.721 176.929 176.094 0.190 0.000 1.393 749 V CA -0.108 62.327 62.300 0.226 0.000 1.125 749 V CB -1.053 30.727 31.823 -0.071 0.000 1.037 749 V HN 0.460 nan 8.190 nan 0.000 0.440 750 S N 0.081 115.877 115.700 0.160 0.000 2.579 750 S HA 0.077 4.544 4.470 -0.004 0.000 0.275 750 S C 1.142 175.839 174.600 0.162 0.000 1.345 750 S CA 0.471 58.743 58.200 0.120 0.000 1.031 750 S CB 0.488 63.736 63.200 0.079 0.000 0.892 750 S HN 0.567 nan 8.310 nan 0.000 0.529 751 N N 0.910 119.679 118.700 0.114 0.000 2.205 751 N HA -0.219 4.519 4.740 -0.004 0.000 0.186 751 N C 1.682 177.257 175.510 0.109 0.000 1.015 751 N CA 1.581 54.696 53.050 0.108 0.000 0.862 751 N CB -0.124 38.395 38.487 0.055 0.000 0.986 751 N HN 0.897 nan 8.380 nan 0.000 0.429 752 E N -0.606 119.644 120.200 0.084 0.000 2.112 752 E HA -0.045 4.303 4.350 -0.004 0.000 0.190 752 E C 1.705 178.349 176.600 0.074 0.000 0.979 752 E CA 0.999 57.438 56.400 0.064 0.000 0.814 752 E CB -0.152 29.571 29.700 0.039 0.000 0.762 752 E HN 0.393 nan 8.360 nan 0.000 0.460 753 G N -0.638 108.221 108.800 0.098 0.000 2.939 753 G HA2 -0.012 3.945 3.960 -0.004 0.000 0.210 753 G HA3 -0.012 3.945 3.960 -0.004 0.000 0.210 753 G C 0.087 175.068 174.900 0.135 0.000 1.160 753 G CA -0.286 44.864 45.100 0.084 0.000 0.770 753 G HN 0.255 nan 8.290 nan 0.000 0.543 754 F N 1.430 121.414 119.950 0.058 0.000 2.959 754 F HA 0.415 4.939 4.527 -0.004 0.000 0.379 754 F C 0.031 175.877 175.800 0.078 0.000 1.215 754 F CA -1.155 56.897 58.000 0.086 0.000 1.190 754 F CB 0.917 40.024 39.000 0.178 0.000 1.574 754 F HN -0.183 nan 8.300 nan 0.000 0.575 755 K N 2.679 123.286 120.400 0.346 0.000 2.120 755 K HA 0.168 4.485 4.320 -0.004 0.000 0.245 755 K C -0.368 176.376 176.600 0.240 0.000 1.024 755 K CA -0.646 55.780 56.287 0.231 0.000 0.906 755 K CB 0.906 33.488 32.500 0.137 0.000 1.051 755 K HN 0.414 nan 8.250 nan 0.000 0.491 756 F N 2.347 122.306 119.950 0.015 0.000 2.608 756 F HA -0.091 4.434 4.527 -0.004 0.000 0.380 756 F C 0.749 176.555 175.800 0.010 0.000 1.083 756 F CA 0.615 58.594 58.000 -0.034 0.000 1.266 756 F CB 0.087 39.054 39.000 -0.054 0.000 1.076 756 F HN 0.526 nan 8.300 nan 0.000 0.574 757 M N 2.797 122.029 119.600 -0.614 0.000 2.908 757 M HA -0.236 4.241 4.480 -0.004 0.000 0.191 757 M C -0.153 176.084 176.300 -0.104 0.000 0.619 757 M CA 1.116 56.122 55.300 -0.490 0.000 0.709 757 M CB -2.592 29.613 32.600 -0.658 0.000 2.554 757 M HN 0.730 nan 8.290 nan 0.000 0.356 758 A N 0.461 123.301 122.820 0.034 0.000 2.269 758 A HA 0.911 5.229 4.320 -0.004 0.000 0.319 758 A C -0.306 177.415 177.584 0.230 0.000 1.110 758 A CA -0.403 51.661 52.037 0.045 0.000 0.847 758 A CB 0.900 19.903 19.000 0.006 0.000 1.161 758 A HN 0.595 nan 8.150 nan 0.000 0.497 759 F N -1.356 118.619 119.950 0.042 0.000 2.599 759 F HA 0.822 5.346 4.527 -0.004 0.000 0.311 759 F C -0.763 174.965 175.800 -0.120 0.000 1.076 759 F CA -1.082 56.964 58.000 0.077 0.000 0.937 759 F CB 1.678 40.722 39.000 0.073 0.000 1.282 759 F HN 0.461 nan 8.300 nan 0.000 0.460 760 K N 1.556 122.029 120.400 0.121 0.000 2.468 760 K HA 0.327 4.645 4.320 -0.004 0.000 0.252 760 K C -1.876 174.824 176.600 0.168 0.000 0.932 760 K CA -1.005 55.255 56.287 -0.046 0.000 0.794 760 K CB 2.331 34.631 32.500 -0.334 0.000 1.241 760 K HN 0.564 nan 8.250 nan 0.000 0.428 761 D N 2.703 123.182 120.400 0.132 0.000 2.280 761 D HA 0.256 4.893 4.640 -0.004 0.000 0.243 761 D C -0.152 176.189 176.300 0.070 0.000 1.129 761 D CA -0.127 53.948 54.000 0.125 0.000 0.848 761 D CB 1.531 42.399 40.800 0.115 0.000 1.107 761 D HN 0.325 nan 8.370 nan 0.000 0.471 762 V N -0.392 119.568 119.914 0.076 0.000 3.167 762 V HA 0.711 4.828 4.120 -0.004 0.000 0.310 762 V C -0.724 175.396 176.094 0.044 0.000 1.207 762 V CA -0.841 61.492 62.300 0.055 0.000 1.059 762 V CB 2.105 33.970 31.823 0.070 0.000 1.079 762 V HN 0.136 nan 8.190 nan 0.000 0.446 763 V N 2.487 122.419 119.914 0.031 0.000 2.409 763 V HA 0.473 4.591 4.120 -0.004 0.000 0.291 763 V C 0.121 176.223 176.094 0.013 0.000 1.020 763 V CA -0.438 61.873 62.300 0.018 0.000 0.848 763 V CB 1.121 32.953 31.823 0.014 0.000 0.990 763 V HN 0.806 nan 8.190 nan 0.000 0.430 764 L N 2.822 124.047 121.223 0.005 0.000 2.472 764 L HA 0.292 4.630 4.340 -0.004 0.000 0.260 764 L C 1.381 178.248 176.870 -0.004 0.000 1.209 764 L CA -0.435 54.406 54.840 0.001 0.000 0.817 764 L CB 0.396 42.451 42.059 -0.006 0.000 1.106 764 L HN 0.580 nan 8.230 nan 0.000 0.479 765 D N -0.144 120.254 120.400 -0.003 0.000 2.221 765 D HA -0.149 4.489 4.640 -0.004 0.000 0.204 765 D C 2.062 178.360 176.300 -0.002 0.000 0.982 765 D CA 1.664 55.663 54.000 -0.002 0.000 0.857 765 D CB 0.008 40.806 40.800 -0.003 0.000 0.934 765 D HN 0.662 nan 8.370 nan 0.000 0.475 766 S N -1.002 114.695 115.700 -0.006 0.000 2.515 766 S HA 0.115 4.583 4.470 -0.004 0.000 0.231 766 S C 1.836 176.428 174.600 -0.013 0.000 0.987 766 S CA 1.018 59.215 58.200 -0.005 0.000 0.936 766 S CB 0.198 63.395 63.200 -0.005 0.000 0.766 766 S HN 0.358 nan 8.310 nan 0.000 0.528 767 G N 0.824 109.612 108.800 -0.019 0.000 2.232 767 G HA2 -0.213 3.744 3.960 -0.004 0.000 0.226 767 G HA3 -0.213 3.744 3.960 -0.004 0.000 0.226 767 G C 0.044 174.912 174.900 -0.053 0.000 0.996 767 G CA -0.089 44.998 45.100 -0.021 0.000 0.626 767 G HN 0.561 nan 8.290 nan 0.000 0.509 768 I N 2.221 122.727 120.570 -0.107 0.000 2.533 768 I HA 0.213 4.381 4.170 -0.004 0.000 0.284 768 I C 0.767 176.825 176.117 -0.098 0.000 1.109 768 I CA -0.001 61.168 61.300 -0.217 0.000 1.412 768 I CB 0.647 38.450 38.000 -0.328 0.000 1.396 768 I HN 0.172 nan 8.210 nan 0.000 0.543 769 E N 5.192 125.357 120.200 -0.058 0.000 2.354 769 E HA 0.599 4.946 4.350 -0.004 0.000 0.269 769 E C -0.459 176.159 176.600 0.030 0.000 1.036 769 E CA -0.398 56.008 56.400 0.011 0.000 0.876 769 E CB 1.340 31.067 29.700 0.044 0.000 1.009 769 E HN 0.715 nan 8.360 nan 0.000 0.416 770 A N 3.050 125.900 122.820 0.050 0.000 2.609 770 A HA 0.564 4.881 4.320 -0.004 0.000 0.291 770 A C -1.237 176.403 177.584 0.094 0.000 1.096 770 A CA -0.760 51.319 52.037 0.070 0.000 0.684 770 A CB 1.684 20.725 19.000 0.068 0.000 1.282 770 A HN 0.595 nan 8.150 nan 0.000 0.412 771 R N 1.164 121.725 120.500 0.101 0.000 2.343 771 R HA 0.689 5.027 4.340 -0.004 0.000 0.320 771 R C -1.569 174.837 176.300 0.178 0.000 0.956 771 R CA -0.440 55.740 56.100 0.134 0.000 0.836 771 R CB 0.625 30.962 30.300 0.062 0.000 1.151 771 R HN 0.651 nan 8.270 nan 0.000 0.450 772 I N 3.149 123.886 120.570 0.279 0.000 2.354 772 I HA 0.262 4.429 4.170 -0.004 0.000 0.292 772 I C -0.418 176.009 176.117 0.518 0.000 0.989 772 I CA -0.533 60.988 61.300 0.369 0.000 1.188 772 I CB 2.098 40.370 38.000 0.453 0.000 1.342 772 I HN 0.566 nan 8.210 nan 0.000 0.457 773 S N 5.707 121.619 115.700 0.353 0.000 2.500 773 S HA 0.462 4.930 4.470 -0.004 0.000 0.301 773 S C -0.117 174.542 174.600 0.098 0.000 1.092 773 S CA -0.856 57.528 58.200 0.307 0.000 1.030 773 S CB 1.781 65.061 63.200 0.135 0.000 1.031 773 S HN 0.491 nan 8.310 nan 0.000 0.483 774 R N 2.453 122.967 120.500 0.023 0.000 2.891 774 R HA 0.363 4.700 4.340 -0.004 0.000 0.248 774 R C -0.850 175.324 176.300 -0.210 0.000 1.439 774 R CA 0.117 56.035 56.100 -0.304 0.000 1.288 774 R CB -0.336 29.731 30.300 -0.389 0.000 1.212 774 R HN 0.526 nan 8.270 nan 0.000 0.605 775 I N 0.465 120.948 120.570 -0.146 0.000 2.433 775 I HA 0.204 4.372 4.170 -0.004 0.000 0.292 775 I C -0.077 176.032 176.117 -0.013 0.000 1.001 775 I CA -0.489 60.742 61.300 -0.115 0.000 1.119 775 I CB 2.158 40.087 38.000 -0.117 0.000 1.289 775 I HN 0.243 nan 8.210 nan 0.000 0.438 776 S N 5.076 120.824 115.700 0.080 0.000 2.557 776 S HA 0.484 4.952 4.470 -0.004 0.000 0.291 776 S C -0.559 174.178 174.600 0.229 0.000 1.116 776 S CA -0.337 57.962 58.200 0.165 0.000 0.992 776 S CB 1.062 64.380 63.200 0.197 0.000 1.028 776 S HN 0.484 nan 8.310 nan 0.000 0.484 777 F N 4.289 124.283 119.950 0.074 0.000 2.708 777 F HA 0.369 4.894 4.527 -0.004 0.000 0.300 777 F C 1.290 177.295 175.800 0.342 0.000 1.118 777 F CA -0.006 58.045 58.000 0.085 0.000 1.307 777 F CB 0.292 39.324 39.000 0.053 0.000 0.986 777 F HN 0.630 nan 8.300 nan 0.000 0.522 778 S N -2.518 113.368 115.700 0.309 0.000 2.679 778 S HA 0.407 4.875 4.470 -0.004 0.000 0.258 778 S C 1.533 176.183 174.600 0.084 0.000 1.068 778 S CA 0.341 58.618 58.200 0.128 0.000 1.115 778 S CB 0.410 63.651 63.200 0.067 0.000 1.078 778 S HN 0.624 nan 8.310 nan 0.000 0.603 779 G N 1.128 110.036 108.800 0.180 0.000 2.199 779 G HA2 -0.197 3.760 3.960 -0.004 0.000 0.254 779 G HA3 -0.197 3.760 3.960 -0.004 0.000 0.254 779 G C -0.142 174.774 174.900 0.027 0.000 0.982 779 G CA 0.289 45.438 45.100 0.082 0.000 0.632 779 G HN 0.514 nan 8.290 nan 0.000 0.529 780 E N -0.242 119.978 120.200 0.033 0.000 2.280 780 E HA 0.569 4.917 4.350 -0.004 0.000 0.264 780 E C 0.489 177.084 176.600 -0.009 0.000 1.064 780 E CA -1.043 55.358 56.400 0.002 0.000 0.900 780 E CB 1.507 31.204 29.700 -0.005 0.000 1.123 780 E HN 0.351 nan 8.360 nan 0.000 0.418 781 L N 1.210 122.412 121.223 -0.035 0.000 2.514 781 L HA 0.285 4.623 4.340 -0.004 0.000 0.280 781 L C -0.608 176.230 176.870 -0.054 0.000 1.223 781 L CA 0.519 55.318 54.840 -0.069 0.000 0.864 781 L CB 0.112 42.151 42.059 -0.034 0.000 1.118 781 L HN 0.541 nan 8.230 nan 0.000 0.494 782 A N 4.372 127.076 122.820 -0.193 0.000 2.589 782 A HA 0.724 5.042 4.320 -0.004 0.000 0.296 782 A C -1.633 175.713 177.584 -0.397 0.000 1.062 782 A CA -0.490 51.479 52.037 -0.114 0.000 0.686 782 A CB 0.717 19.724 19.000 0.012 0.000 1.282 782 A HN 0.521 nan 8.150 nan 0.000 0.404 783 F N 0.873 120.795 119.950 -0.047 0.000 2.539 783 F HA 0.445 4.970 4.527 -0.004 0.000 0.318 783 F C 0.283 176.073 175.800 -0.017 0.000 1.135 783 F CA -0.139 57.814 58.000 -0.078 0.000 0.915 783 F CB 2.429 41.346 39.000 -0.139 0.000 1.176 783 F HN 0.567 nan 8.300 nan 0.000 0.440 784 E N 4.656 124.941 120.200 0.141 0.000 2.134 784 E HA 0.445 4.792 4.350 -0.004 0.000 0.278 784 E C -0.797 175.881 176.600 0.130 0.000 0.959 784 E CA -0.514 55.950 56.400 0.106 0.000 0.783 784 E CB 2.127 31.852 29.700 0.041 0.000 1.095 784 E HN 0.490 nan 8.360 nan 0.000 0.399 785 I N 2.604 123.245 120.570 0.117 0.000 2.304 785 I HA 0.307 4.474 4.170 -0.004 0.000 0.291 785 I C -0.024 176.153 176.117 0.100 0.000 1.018 785 I CA -0.435 60.934 61.300 0.114 0.000 1.260 785 I CB 1.186 39.241 38.000 0.091 0.000 1.390 785 I HN 0.426 nan 8.210 nan 0.000 0.475 786 A N 7.300 130.177 122.820 0.095 0.000 2.303 786 A HA 0.824 5.141 4.320 -0.004 0.000 0.320 786 A C -0.369 177.264 177.584 0.082 0.000 1.192 786 A CA -0.475 51.611 52.037 0.083 0.000 0.821 786 A CB 1.074 20.117 19.000 0.072 0.000 1.188 786 A HN 0.596 nan 8.150 nan 0.000 0.492 787 V N -0.334 119.634 119.914 0.090 0.000 3.130 787 V HA 0.748 4.865 4.120 -0.004 0.000 0.310 787 V C -3.141 173.007 176.094 0.090 0.000 1.158 787 V CA -2.938 59.430 62.300 0.113 0.000 1.029 787 V CB 1.540 33.460 31.823 0.163 0.000 1.057 787 V HN 0.571 nan 8.190 nan 0.000 0.436 788 P HA 0.152 nan 4.420 nan 0.000 0.265 788 P C 0.816 178.036 177.300 -0.133 0.000 1.187 788 P CA 0.974 64.005 63.100 -0.115 0.000 0.766 788 P CB 0.831 32.435 31.700 -0.159 0.000 0.820 789 A N 4.155 126.842 122.820 -0.221 0.000 1.948 789 A HA -0.180 4.138 4.320 -0.004 0.000 0.220 789 A C 1.388 178.989 177.584 0.028 0.000 1.177 789 A CA 1.719 53.711 52.037 -0.074 0.000 0.636 789 A CB -1.557 17.406 19.000 -0.061 0.000 0.815 789 A HN 0.808 nan 8.150 nan 0.000 0.449 790 W N -1.354 119.906 121.300 -0.066 0.000 2.848 790 W HA 0.067 4.725 4.660 -0.004 0.000 0.241 790 W C 0.930 177.365 176.519 -0.139 0.000 1.289 790 W CA 0.467 57.744 57.345 -0.114 0.000 1.396 790 W CB -1.160 28.202 29.460 -0.163 0.000 1.138 790 W HN 0.422 nan 8.180 nan 0.000 0.677 791 H N -0.059 119.246 119.070 0.392 0.000 2.586 791 H HA 0.272 4.825 4.556 -0.004 0.000 0.273 791 H C 2.141 177.575 175.328 0.177 0.000 0.997 791 H CA 0.571 56.782 56.048 0.272 0.000 1.177 791 H CB -0.376 29.530 29.762 0.240 0.000 1.471 791 H HN 0.345 nan 8.280 nan 0.000 0.538 792 G N 1.562 110.512 108.800 0.249 0.000 2.491 792 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.218 792 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.218 792 G C 1.760 176.762 174.900 0.172 0.000 1.180 792 G CA 0.803 46.012 45.100 0.182 0.000 0.774 792 G HN 0.314 nan 8.290 nan 0.000 0.562 793 L N 0.747 122.058 121.223 0.147 0.000 2.017 793 L HA 0.024 4.362 4.340 -0.004 0.000 0.208 793 L C 2.760 179.735 176.870 0.175 0.000 1.073 793 L CA 2.333 57.252 54.840 0.132 0.000 0.745 793 L CB -0.648 41.485 42.059 0.122 0.000 0.894 793 L HN 0.250 nan 8.230 nan 0.000 0.432 794 R N -0.748 119.860 120.500 0.180 0.000 2.091 794 R HA -0.118 4.220 4.340 -0.004 0.000 0.238 794 R C 1.990 178.368 176.300 0.131 0.000 1.136 794 R CA 2.195 58.391 56.100 0.160 0.000 0.959 794 R CB -1.079 29.323 30.300 0.169 0.000 0.856 794 R HN 0.314 nan 8.270 nan 0.000 0.437 795 V N 0.051 120.051 119.914 0.143 0.000 2.515 795 V HA -0.201 3.917 4.120 -0.004 0.000 0.250 795 V C 2.062 178.196 176.094 0.065 0.000 1.058 795 V CA 1.667 64.024 62.300 0.096 0.000 1.064 795 V CB -0.717 31.173 31.823 0.112 0.000 0.675 795 V HN 0.495 nan 8.190 nan 0.000 0.461 796 W N 1.442 122.680 121.300 -0.103 0.000 2.355 796 W HA -0.173 4.484 4.660 -0.004 0.000 0.309 796 W C 2.237 178.589 176.519 -0.279 0.000 1.206 796 W CA 2.055 59.247 57.345 -0.255 0.000 1.284 796 W CB -0.124 29.099 29.460 -0.395 0.000 1.145 796 W HN 0.366 nan 8.180 nan 0.000 0.502 797 E N 0.162 120.354 120.200 -0.013 0.000 2.085 797 E HA -0.246 4.101 4.350 -0.004 0.000 0.194 797 E C 1.624 178.242 176.600 0.030 0.000 0.994 797 E CA 1.797 58.221 56.400 0.040 0.000 0.801 797 E CB -0.343 29.460 29.700 0.172 0.000 0.743 797 E HN 0.126 nan 8.360 nan 0.000 0.453 798 D N 0.118 120.523 120.400 0.008 0.000 2.144 798 D HA -0.104 4.534 4.640 -0.004 0.000 0.200 798 D C 2.021 178.285 176.300 -0.060 0.000 0.978 798 D CA 0.622 54.619 54.000 -0.005 0.000 0.833 798 D CB -0.131 40.672 40.800 0.005 0.000 0.961 798 D HN 0.010 nan 8.370 nan 0.000 0.470 799 V N 0.487 120.321 119.914 -0.134 0.000 2.358 799 V HA -0.246 3.871 4.120 -0.004 0.000 0.246 799 V C 2.133 178.110 176.094 -0.195 0.000 1.047 799 V CA 1.166 63.354 62.300 -0.187 0.000 1.035 799 V CB -0.542 31.106 31.823 -0.292 0.000 0.658 799 V HN 0.157 nan 8.190 nan 0.000 0.452 800 Y N 1.398 121.444 120.300 -0.422 0.000 2.128 800 Y HA -0.255 4.292 4.550 -0.004 0.000 0.284 800 Y C 2.382 178.206 175.900 -0.127 0.000 1.154 800 Y CA 1.534 59.435 58.100 -0.331 0.000 1.149 800 Y CB -0.660 37.596 38.460 -0.340 0.000 0.976 800 Y HN 0.168 nan 8.280 nan 0.000 0.505 801 A N 0.082 122.869 122.820 -0.054 0.000 1.873 801 A HA -0.060 4.258 4.320 -0.004 0.000 0.215 801 A C 2.421 179.927 177.584 -0.130 0.000 1.186 801 A CA 1.828 53.809 52.037 -0.093 0.000 0.616 801 A CB -1.466 17.536 19.000 0.003 0.000 0.823 801 A HN 0.543 nan 8.150 nan 0.000 0.442 802 A N -0.784 121.981 122.820 -0.093 0.000 2.019 802 A HA 0.164 4.481 4.320 -0.004 0.000 0.219 802 A C 2.155 179.701 177.584 -0.063 0.000 1.164 802 A CA 1.731 53.726 52.037 -0.070 0.000 0.644 802 A CB -0.928 18.050 19.000 -0.037 0.000 0.805 802 A HN 0.770 nan 8.150 nan 0.000 0.449 803 G N -1.131 107.618 108.800 -0.087 0.000 3.042 803 G HA2 0.047 4.005 3.960 -0.004 0.000 0.212 803 G HA3 0.047 4.005 3.960 -0.004 0.000 0.212 803 G C 1.128 175.940 174.900 -0.148 0.000 1.166 803 G CA 0.660 45.755 45.100 -0.009 0.000 0.767 803 G HN 0.635 nan 8.290 nan 0.000 0.546 804 E N 1.630 121.664 120.200 -0.277 0.000 2.114 804 E HA -0.258 4.090 4.350 -0.004 0.000 0.199 804 E C 2.244 178.671 176.600 -0.288 0.000 1.008 804 E CA 1.637 57.852 56.400 -0.309 0.000 0.810 804 E CB -0.103 29.420 29.700 -0.295 0.000 0.739 804 E HN 0.766 nan 8.360 nan 0.000 0.456 805 E N -0.845 119.092 120.200 -0.439 0.000 2.409 805 E HA -0.159 4.189 4.350 -0.004 0.000 0.198 805 E C 0.685 176.931 176.600 -0.590 0.000 1.024 805 E CA 0.687 56.745 56.400 -0.569 0.000 0.861 805 E CB -0.159 29.072 29.700 -0.783 0.000 0.788 805 E HN 0.287 nan 8.360 nan 0.000 0.521 806 F N 0.774 120.679 119.950 -0.074 0.000 2.708 806 F HA 0.293 4.818 4.527 -0.004 0.000 0.300 806 F C 0.168 175.935 175.800 -0.056 0.000 1.118 806 F CA -0.815 57.149 58.000 -0.059 0.000 1.307 806 F CB -0.260 38.706 39.000 -0.057 0.000 0.986 806 F HN -0.097 nan 8.300 nan 0.000 0.522 807 N N 1.709 120.423 118.700 0.023 0.000 2.740 807 N HA -0.284 4.453 4.740 -0.004 0.000 0.248 807 N C -0.001 175.527 175.510 0.030 0.000 1.062 807 N CA 0.156 53.213 53.050 0.011 0.000 0.704 807 N CB -1.304 37.202 38.487 0.031 0.000 0.968 807 N HN 0.504 nan 8.380 nan 0.000 0.547 808 I N 0.526 121.102 120.570 0.009 0.000 2.821 808 I HA -0.079 4.089 4.170 -0.004 0.000 0.294 808 I C -0.079 176.076 176.117 0.062 0.000 1.210 808 I CA 0.803 62.116 61.300 0.022 0.000 1.430 808 I CB 0.229 38.207 38.000 -0.036 0.000 1.356 808 I HN 0.247 nan 8.210 nan 0.000 0.563 809 T N 9.386 123.997 114.554 0.096 0.000 2.772 809 T HA 0.400 4.747 4.350 -0.004 0.000 0.288 809 T C -2.436 172.362 174.700 0.165 0.000 0.994 809 T CA -1.066 61.117 62.100 0.139 0.000 0.951 809 T CB 1.221 70.159 68.868 0.117 0.000 0.933 809 T HN 0.457 nan 8.240 nan 0.000 0.447 810 P HA 0.237 nan 4.420 nan 0.000 0.275 810 P C -1.324 176.037 177.300 0.101 0.000 1.227 810 P CA -0.300 62.752 63.100 -0.079 0.000 0.781 810 P CB 0.423 31.843 31.700 -0.467 0.000 0.906 811 Y N -0.136 120.275 120.300 0.185 0.000 2.615 811 Y HA 0.819 5.367 4.550 -0.004 0.000 0.341 811 Y C -0.100 176.093 175.900 0.487 0.000 1.089 811 Y CA -1.081 57.242 58.100 0.370 0.000 1.049 811 Y CB 0.830 39.418 38.460 0.214 0.000 1.296 811 Y HN 0.551 nan 8.280 nan 0.000 0.470 812 G N -0.233 108.873 108.800 0.511 0.000 3.252 812 G HA2 0.367 4.325 3.960 -0.004 0.000 0.181 812 G HA3 0.367 4.325 3.960 -0.004 0.000 0.181 812 G C 0.431 175.528 174.900 0.328 0.000 1.187 812 G CA -0.318 44.943 45.100 0.268 0.000 0.886 812 G HN 0.979 nan 8.290 nan 0.000 0.615 813 T N -1.587 113.144 114.554 0.294 0.000 2.788 813 T HA -0.124 4.224 4.350 -0.004 0.000 0.268 813 T C 1.883 176.810 174.700 0.378 0.000 1.044 813 T CA 2.059 64.372 62.100 0.354 0.000 1.139 813 T CB -0.158 68.859 68.868 0.249 0.000 0.867 813 T HN 0.371 nan 8.240 nan 0.000 0.454 814 E N 1.243 121.676 120.200 0.388 0.000 2.047 814 E HA -0.065 4.283 4.350 -0.004 0.000 0.191 814 E C 2.408 179.125 176.600 0.195 0.000 0.987 814 E CA 1.703 58.256 56.400 0.254 0.000 0.799 814 E CB -0.909 28.856 29.700 0.109 0.000 0.752 814 E HN 0.531 nan 8.360 nan 0.000 0.449 815 T N 1.196 115.886 114.554 0.226 0.000 2.821 815 T HA -0.122 4.225 4.350 -0.004 0.000 0.267 815 T C 1.638 176.427 174.700 0.148 0.000 1.046 815 T CA 1.325 63.498 62.100 0.121 0.000 1.139 815 T CB -0.236 68.704 68.868 0.120 0.000 0.871 815 T HN 0.199 nan 8.240 nan 0.000 0.454 816 M N 1.002 120.853 119.600 0.418 0.000 2.080 816 M HA -0.168 4.310 4.480 -0.004 0.000 0.260 816 M C 2.034 178.493 176.300 0.265 0.000 1.068 816 M CA 1.871 57.442 55.300 0.453 0.000 1.109 816 M CB -0.837 32.083 32.600 0.534 0.000 1.342 816 M HN 0.431 nan 8.290 nan 0.000 0.405 817 H N -0.816 118.313 119.070 0.098 0.000 2.353 817 H HA -0.112 4.442 4.556 -0.004 0.000 0.300 817 H C 2.211 177.247 175.328 -0.486 0.000 1.090 817 H CA 1.720 57.745 56.048 -0.038 0.000 1.327 817 H CB -0.067 29.765 29.762 0.117 0.000 1.383 817 H HN 0.301 nan 8.280 nan 0.000 0.508 818 V N 1.441 121.043 119.914 -0.520 0.000 2.261 818 V HA -0.260 3.858 4.120 -0.004 0.000 0.246 818 V C 2.717 178.615 176.094 -0.326 0.000 1.047 818 V CA 1.486 63.357 62.300 -0.715 0.000 1.015 818 V CB -0.599 31.000 31.823 -0.373 0.000 0.642 818 V HN 0.292 nan 8.190 nan 0.000 0.446 819 L N 0.349 121.427 121.223 -0.242 0.000 2.046 819 L HA -0.202 4.136 4.340 -0.004 0.000 0.208 819 L C 2.789 179.507 176.870 -0.253 0.000 1.077 819 L CA 2.098 56.796 54.840 -0.236 0.000 0.747 819 L CB -0.695 41.246 42.059 -0.196 0.000 0.896 819 L HN 0.443 nan 8.230 nan 0.000 0.432 820 R N 0.807 121.142 120.500 -0.275 0.000 2.115 820 R HA -0.017 4.321 4.340 -0.004 0.000 0.226 820 R C 2.086 178.174 176.300 -0.354 0.000 1.100 820 R CA 1.288 57.130 56.100 -0.431 0.000 0.980 820 R CB -1.098 28.676 30.300 -0.876 0.000 0.875 820 R HN 0.175 nan 8.270 nan 0.000 0.445 821 A N 1.364 124.086 122.820 -0.163 0.000 1.969 821 A HA -0.092 4.226 4.320 -0.004 0.000 0.218 821 A C 1.877 179.533 177.584 0.120 0.000 1.169 821 A CA 1.329 53.414 52.037 0.080 0.000 0.635 821 A CB -0.390 18.790 19.000 0.300 0.000 0.810 821 A HN 0.516 nan 8.150 nan 0.000 0.445 822 E N -0.284 119.888 120.200 -0.048 0.000 2.265 822 E HA -0.125 4.222 4.350 -0.004 0.000 0.196 822 E C 0.957 177.378 176.600 -0.298 0.000 0.996 822 E CA 0.823 57.050 56.400 -0.289 0.000 0.832 822 E CB 0.065 29.552 29.700 -0.355 0.000 0.756 822 E HN 0.314 nan 8.360 nan 0.000 0.491 823 K N -0.730 119.395 120.400 -0.460 0.000 2.372 823 K HA 0.132 4.449 4.320 -0.004 0.000 0.200 823 K C 0.906 177.067 176.600 -0.732 0.000 1.022 823 K CA 0.560 56.407 56.287 -0.732 0.000 1.125 823 K CB 1.152 32.813 32.500 -1.399 0.000 0.855 823 K HN 0.207 nan 8.250 nan 0.000 0.524 824 G N 1.914 110.481 108.800 -0.389 0.000 2.153 824 G HA2 -0.265 3.693 3.960 -0.004 0.000 0.252 824 G HA3 -0.265 3.693 3.960 -0.004 0.000 0.252 824 G C -0.168 174.705 174.900 -0.044 0.000 0.994 824 G CA -0.089 44.915 45.100 -0.160 0.000 0.698 824 G HN 0.155 nan 8.290 nan 0.000 0.521 825 F N 1.033 120.934 119.950 -0.082 0.000 2.443 825 F HA 0.550 5.074 4.527 -0.004 0.000 0.353 825 F C 1.477 177.284 175.800 0.013 0.000 1.101 825 F CA -1.744 56.213 58.000 -0.072 0.000 1.226 825 F CB 0.411 39.241 39.000 -0.283 0.000 1.140 825 F HN 0.328 nan 8.300 nan 0.000 0.557 826 I N 1.275 122.032 120.570 0.313 0.000 2.823 826 I HA 0.456 4.623 4.170 -0.004 0.000 0.290 826 I C -0.673 175.624 176.117 0.301 0.000 1.091 826 I CA -0.407 61.039 61.300 0.242 0.000 1.365 826 I CB 0.755 38.877 38.000 0.204 0.000 1.427 826 I HN 0.218 nan 8.210 nan 0.000 0.583 827 I N 5.245 125.943 120.570 0.214 0.000 2.411 827 I HA 0.271 4.438 4.170 -0.004 0.000 0.284 827 I C -0.041 176.163 176.117 0.145 0.000 1.012 827 I CA -0.740 60.674 61.300 0.189 0.000 1.119 827 I CB 1.426 39.485 38.000 0.099 0.000 1.261 827 I HN 0.375 nan 8.210 nan 0.000 0.448 828 V N 7.020 127.006 119.914 0.120 0.000 2.617 828 V HA 0.288 4.405 4.120 -0.004 0.000 0.304 828 V C 1.417 177.572 176.094 0.100 0.000 1.040 828 V CA 1.668 64.024 62.300 0.093 0.000 1.149 828 V CB 0.179 32.021 31.823 0.033 0.000 0.914 828 V HN 1.089 nan 8.190 nan 0.000 0.487 829 G N 3.454 112.325 108.800 0.118 0.000 2.241 829 G HA2 -0.324 3.633 3.960 -0.004 0.000 0.244 829 G HA3 -0.324 3.633 3.960 -0.004 0.000 0.244 829 G C 0.795 175.798 174.900 0.171 0.000 0.998 829 G CA 0.817 45.996 45.100 0.131 0.000 0.621 829 G HN 0.702 nan 8.290 nan 0.000 0.519 830 Q N -0.421 119.485 119.800 0.177 0.000 2.514 830 Q HA 0.169 4.507 4.340 -0.004 0.000 0.208 830 Q C 1.455 177.558 176.000 0.173 0.000 0.938 830 Q CA 0.753 56.678 55.803 0.203 0.000 0.892 830 Q CB 0.360 29.220 28.738 0.202 0.000 1.050 830 Q HN 0.367 nan 8.270 nan 0.000 0.595 831 D N 0.946 121.415 120.400 0.115 0.000 2.339 831 D HA 0.027 4.665 4.640 -0.004 0.000 0.217 831 D C -0.036 176.314 176.300 0.084 0.000 1.050 831 D CA 0.627 54.649 54.000 0.036 0.000 0.856 831 D CB 0.733 41.558 40.800 0.041 0.000 0.922 831 D HN 0.311 nan 8.370 nan 0.000 0.518 832 T N -0.799 113.843 114.554 0.147 0.000 2.876 832 T HA 0.406 4.753 4.350 -0.004 0.000 0.289 832 T C -0.303 174.518 174.700 0.200 0.000 1.014 832 T CA -0.830 61.367 62.100 0.161 0.000 0.986 832 T CB 2.449 71.395 68.868 0.131 0.000 1.021 832 T HN -0.188 nan 8.240 nan 0.000 0.458 833 D N -0.384 120.139 120.400 0.206 0.000 2.582 833 D HA 0.311 4.948 4.640 -0.004 0.000 0.246 833 D C 1.420 177.794 176.300 0.123 0.000 1.334 833 D CA 0.149 54.259 54.000 0.183 0.000 0.805 833 D CB -0.228 40.711 40.800 0.230 0.000 1.087 833 D HN 1.241 nan 8.370 nan 0.000 0.499 834 G N 0.474 109.345 108.800 0.118 0.000 2.213 834 G HA2 -0.301 3.656 3.960 -0.004 0.000 0.236 834 G HA3 -0.301 3.656 3.960 -0.004 0.000 0.236 834 G C 0.998 175.952 174.900 0.090 0.000 0.991 834 G CA 0.625 45.778 45.100 0.089 0.000 0.629 834 G HN 0.776 nan 8.290 nan 0.000 0.517 835 T N -1.925 112.695 114.554 0.111 0.000 3.084 835 T HA 0.598 4.945 4.350 -0.004 0.000 0.270 835 T C 0.304 175.080 174.700 0.127 0.000 1.008 835 T CA 0.502 62.668 62.100 0.110 0.000 0.900 835 T CB 0.989 69.921 68.868 0.107 0.000 1.084 835 T HN 0.691 nan 8.240 nan 0.000 0.538 836 V N 3.553 123.547 119.914 0.133 0.000 2.398 836 V HA 0.567 4.685 4.120 -0.004 0.000 0.286 836 V C 0.749 176.918 176.094 0.126 0.000 1.026 836 V CA -0.697 61.678 62.300 0.125 0.000 0.868 836 V CB 1.186 33.084 31.823 0.125 0.000 0.982 836 V HN 0.675 nan 8.190 nan 0.000 0.443 837 T N 2.871 117.496 114.554 0.119 0.000 2.902 837 T HA 0.410 4.758 4.350 -0.004 0.000 0.280 837 T C -1.915 172.819 174.700 0.056 0.000 0.992 837 T CA -2.037 60.142 62.100 0.131 0.000 1.015 837 T CB 1.810 70.749 68.868 0.118 0.000 1.044 837 T HN 0.362 nan 8.240 nan 0.000 0.520 838 P HA -0.096 nan 4.420 nan 0.000 0.216 838 P C 1.475 178.732 177.300 -0.072 0.000 1.150 838 P CA 1.123 64.203 63.100 -0.033 0.000 0.837 838 P CB 0.016 31.665 31.700 -0.085 0.000 0.786 839 Q N -0.583 119.145 119.800 -0.120 0.000 2.046 839 Q HA -0.157 4.181 4.340 -0.004 0.000 0.200 839 Q C 1.880 177.861 176.000 -0.032 0.000 0.975 839 Q CA 1.505 57.247 55.803 -0.101 0.000 0.836 839 Q CB -0.987 27.654 28.738 -0.162 0.000 0.896 839 Q HN 0.250 nan 8.270 nan 0.000 0.428 840 D N 0.376 120.769 120.400 -0.012 0.000 2.149 840 D HA -0.136 4.502 4.640 -0.004 0.000 0.198 840 D C 1.269 177.587 176.300 0.030 0.000 0.990 840 D CA 1.478 55.491 54.000 0.021 0.000 0.839 840 D CB -0.241 40.587 40.800 0.046 0.000 0.948 840 D HN 0.323 nan 8.370 nan 0.000 0.460 841 A N -0.425 122.417 122.820 0.037 0.000 2.252 841 A HA 0.397 4.714 4.320 -0.004 0.000 0.207 841 A C 1.690 179.317 177.584 0.073 0.000 1.194 841 A CA 1.007 53.078 52.037 0.057 0.000 0.809 841 A CB -0.337 18.709 19.000 0.078 0.000 0.814 841 A HN 0.257 nan 8.150 nan 0.000 0.482 842 G N -1.513 107.323 108.800 0.059 0.000 2.136 842 G HA2 -0.249 3.709 3.960 -0.004 0.000 0.242 842 G HA3 -0.249 3.709 3.960 -0.004 0.000 0.242 842 G C 0.306 175.291 174.900 0.141 0.000 0.989 842 G CA 0.423 45.579 45.100 0.093 0.000 0.682 842 G HN 0.455 nan 8.290 nan 0.000 0.522 843 M N 0.167 119.790 119.600 0.038 0.000 2.972 843 M HA 0.290 4.768 4.480 -0.004 0.000 0.323 843 M C 1.362 177.465 176.300 -0.329 0.000 1.213 843 M CA -0.177 55.030 55.300 -0.155 0.000 0.935 843 M CB 0.834 33.281 32.600 -0.255 0.000 1.289 843 M HN 0.172 nan 8.290 nan 0.000 0.525 844 E N 2.085 122.234 120.200 -0.085 0.000 2.130 844 E HA -0.207 4.141 4.350 -0.004 0.000 0.196 844 E C 1.806 178.365 176.600 -0.068 0.000 0.998 844 E CA 2.276 58.635 56.400 -0.069 0.000 0.806 844 E CB -0.056 29.660 29.700 0.028 0.000 0.738 844 E HN 0.724 nan 8.360 nan 0.000 0.459 845 W N -0.477 120.838 121.300 0.024 0.000 2.387 845 W HA -0.076 4.582 4.660 -0.003 0.000 0.272 845 W C 1.414 177.946 176.519 0.022 0.000 1.224 845 W CA 0.821 58.181 57.345 0.024 0.000 1.210 845 W CB -0.936 28.543 29.460 0.031 0.000 1.125 845 W HN 0.022 nan 8.180 nan 0.000 0.572 846 V N 1.867 121.207 119.914 -0.957 0.000 3.541 846 V HA 0.032 4.150 4.120 -0.004 0.000 0.267 846 V C 0.656 176.495 176.094 -0.426 0.000 1.213 846 V CA 0.427 62.189 62.300 -0.896 0.000 1.149 846 V CB -0.254 30.802 31.823 -1.279 0.000 0.822 846 V HN -0.081 nan 8.190 nan 0.000 0.462 847 V N 1.577 121.323 119.914 -0.279 0.000 2.368 847 V HA 0.280 4.398 4.120 -0.004 0.000 0.266 847 V C 0.601 176.691 176.094 -0.005 0.000 1.045 847 V CA 0.050 62.264 62.300 -0.144 0.000 0.899 847 V CB 1.002 32.792 31.823 -0.054 0.000 1.006 847 V HN 0.403 nan 8.190 nan 0.000 0.470 848 S N 4.879 120.580 115.700 0.002 0.000 2.549 848 S HA 0.143 4.610 4.470 -0.004 0.000 0.286 848 S C 0.967 175.697 174.600 0.218 0.000 1.314 848 S CA -0.224 58.046 58.200 0.116 0.000 1.062 848 S CB 0.276 63.552 63.200 0.127 0.000 0.865 848 S HN 0.700 nan 8.310 nan 0.000 0.498 849 K N 4.407 124.889 120.400 0.136 0.000 2.387 849 K HA 0.291 4.608 4.320 -0.004 0.000 0.203 849 K C 0.729 177.386 176.600 0.096 0.000 1.030 849 K CA 0.085 56.444 56.287 0.119 0.000 1.099 849 K CB 0.219 32.770 32.500 0.085 0.000 0.863 849 K HN 0.563 nan 8.250 nan 0.000 0.529 850 L N 0.667 121.948 121.223 0.098 0.000 2.672 850 L HA 0.112 4.450 4.340 -0.004 0.000 0.236 850 L C -0.217 176.699 176.870 0.076 0.000 1.092 850 L CA 0.172 55.056 54.840 0.073 0.000 0.887 850 L CB 0.451 42.543 42.059 0.055 0.000 1.168 850 L HN 0.013 nan 8.230 nan 0.000 0.502 851 K N -1.579 118.890 120.400 0.115 0.000 2.482 851 K HA 0.483 4.800 4.320 -0.004 0.000 0.257 851 K C -1.222 175.478 176.600 0.166 0.000 0.969 851 K CA -0.794 55.557 56.287 0.108 0.000 0.842 851 K CB 1.484 34.040 32.500 0.092 0.000 1.359 851 K HN -0.289 nan 8.250 nan 0.000 0.441 852 D N 0.212 120.659 120.400 0.078 0.000 2.312 852 D HA 0.612 5.249 4.640 -0.004 0.000 0.248 852 D C -0.935 175.411 176.300 0.076 0.000 1.086 852 D CA -0.226 53.764 54.000 -0.017 0.000 0.948 852 D CB 0.484 41.238 40.800 -0.075 0.000 1.162 852 D HN 0.468 nan 8.370 nan 0.000 0.446 853 F N -0.072 119.866 119.950 -0.020 0.000 2.741 853 F HA 0.433 4.958 4.527 -0.004 0.000 0.313 853 F C -1.085 174.678 175.800 -0.062 0.000 1.153 853 F CA -1.388 56.581 58.000 -0.052 0.000 0.931 853 F CB 0.413 39.399 39.000 -0.023 0.000 1.335 853 F HN 0.014 nan 8.300 nan 0.000 0.460 854 I N 2.312 122.943 120.570 0.102 0.000 2.662 854 I HA 0.325 4.493 4.170 -0.004 0.000 0.285 854 I C 1.260 177.430 176.117 0.088 0.000 1.161 854 I CA 1.425 62.718 61.300 -0.011 0.000 1.415 854 I CB -0.361 37.556 38.000 -0.137 0.000 1.385 854 I HN 1.088 nan 8.210 nan 0.000 0.552 855 G N 5.584 114.322 108.800 -0.104 0.000 2.284 855 G HA2 -0.331 3.626 3.960 -0.004 0.000 0.216 855 G HA3 -0.331 3.626 3.960 -0.004 0.000 0.216 855 G C 1.193 175.708 174.900 -0.641 0.000 1.009 855 G CA 0.409 45.379 45.100 -0.217 0.000 0.625 855 G HN 0.520 nan 8.290 nan 0.000 0.501 856 N N 1.165 119.364 118.700 -0.835 0.000 2.037 856 N HA -0.153 4.584 4.740 -0.004 0.000 0.196 856 N C 2.082 177.274 175.510 -0.529 0.000 1.034 856 N CA 2.425 54.931 53.050 -0.907 0.000 0.861 856 N CB -0.301 37.392 38.487 -1.323 0.000 1.039 856 N HN 0.510 nan 8.380 nan 0.000 0.427 857 R N 0.286 120.552 120.500 -0.389 0.000 2.117 857 R HA 0.062 4.399 4.340 -0.004 0.000 0.243 857 R C 1.890 178.068 176.300 -0.202 0.000 1.143 857 R CA 1.739 57.709 56.100 -0.218 0.000 0.968 857 R CB -0.917 29.295 30.300 -0.147 0.000 0.863 857 R HN 0.151 nan 8.270 nan 0.000 0.444 858 S N -0.283 115.226 115.700 -0.319 0.000 2.474 858 S HA -0.085 4.383 4.470 -0.004 0.000 0.235 858 S C 0.847 175.370 174.600 -0.130 0.000 0.997 858 S CA 0.792 58.852 58.200 -0.232 0.000 0.949 858 S CB -0.319 62.732 63.200 -0.249 0.000 0.766 858 S HN 0.390 nan 8.310 nan 0.000 0.517 859 Y N 1.489 121.788 120.300 -0.003 0.000 2.616 859 Y HA 0.126 4.674 4.550 -0.003 0.000 0.296 859 Y C 2.251 178.157 175.900 0.010 0.000 1.154 859 Y CA -0.386 57.722 58.100 0.014 0.000 1.325 859 Y CB -0.767 37.707 38.460 0.024 0.000 1.007 859 Y HN 0.153 nan 8.280 nan 0.000 0.542 860 S N -0.827 114.938 115.700 0.107 0.000 2.524 860 S HA 0.099 4.567 4.470 -0.004 0.000 0.216 860 S C 0.922 175.552 174.600 0.051 0.000 0.987 860 S CA -0.235 58.006 58.200 0.069 0.000 0.909 860 S CB 0.079 63.298 63.200 0.033 0.000 0.781 860 S HN 0.285 nan 8.310 nan 0.000 0.521 861 R N 0.876 121.405 120.500 0.048 0.000 2.774 861 R HA 0.341 4.679 4.340 -0.004 0.000 0.269 861 R C 1.636 177.964 176.300 0.047 0.000 1.068 861 R CA 0.278 56.400 56.100 0.038 0.000 1.180 861 R CB 0.114 30.433 30.300 0.030 0.000 1.077 861 R HN 0.219 nan 8.270 nan 0.000 0.513 862 A N 1.451 124.293 122.820 0.037 0.000 1.892 862 A HA -0.281 4.036 4.320 -0.004 0.000 0.218 862 A C 1.809 179.419 177.584 0.044 0.000 1.188 862 A CA 2.268 54.327 52.037 0.036 0.000 0.631 862 A CB -0.652 18.365 19.000 0.029 0.000 0.822 862 A HN 0.923 nan 8.150 nan 0.000 0.447 863 D N -0.621 119.807 120.400 0.046 0.000 2.182 863 D HA -0.182 4.456 4.640 -0.004 0.000 0.201 863 D C 1.803 178.143 176.300 0.066 0.000 0.986 863 D CA 1.445 55.477 54.000 0.053 0.000 0.847 863 D CB -0.228 40.603 40.800 0.053 0.000 0.942 863 D HN 0.578 nan 8.370 nan 0.000 0.467 864 N N -0.691 118.058 118.700 0.082 0.000 2.409 864 N HA -0.064 4.673 4.740 -0.004 0.000 0.179 864 N C 1.472 177.024 175.510 0.071 0.000 1.032 864 N CA 0.754 53.863 53.050 0.098 0.000 0.898 864 N CB 0.047 38.629 38.487 0.157 0.000 0.971 864 N HN 0.200 nan 8.380 nan 0.000 0.441 865 A N 1.209 124.065 122.820 0.060 0.000 2.119 865 A HA 0.038 4.355 4.320 -0.004 0.000 0.216 865 A C 0.968 178.575 177.584 0.039 0.000 1.152 865 A CA -0.002 52.063 52.037 0.046 0.000 0.708 865 A CB -0.171 18.854 19.000 0.041 0.000 0.805 865 A HN 0.239 nan 8.150 nan 0.000 0.460 866 R N 0.518 121.043 120.500 0.042 0.000 2.644 866 R HA -0.019 4.319 4.340 -0.004 0.000 0.265 866 R C 0.299 176.620 176.300 0.035 0.000 0.985 866 R CA 0.413 56.535 56.100 0.038 0.000 1.097 866 R CB 0.297 30.622 30.300 0.042 0.000 0.931 866 R HN 0.422 nan 8.270 nan 0.000 0.419 867 E N 1.455 121.674 120.200 0.031 0.000 2.400 867 E HA -0.081 4.266 4.350 -0.004 0.000 0.195 867 E C 0.248 176.866 176.600 0.030 0.000 1.012 867 E CA 0.608 57.025 56.400 0.028 0.000 0.875 867 E CB 0.210 29.925 29.700 0.025 0.000 0.859 867 E HN 0.591 nan 8.360 nan 0.000 0.498 868 D N 0.430 120.851 120.400 0.034 0.000 2.559 868 D HA 0.037 4.675 4.640 -0.004 0.000 0.234 868 D C 0.218 176.545 176.300 0.046 0.000 1.226 868 D CA -0.347 53.675 54.000 0.038 0.000 0.830 868 D CB -0.181 40.641 40.800 0.037 0.000 1.028 868 D HN -0.135 nan 8.370 nan 0.000 0.492 869 R N 0.905 121.433 120.500 0.046 0.000 2.590 869 R HA 0.171 4.509 4.340 -0.004 0.000 0.274 869 R C 0.428 176.762 176.300 0.056 0.000 1.061 869 R CA -0.070 56.063 56.100 0.055 0.000 1.081 869 R CB 1.074 31.405 30.300 0.052 0.000 0.984 869 R HN 0.014 nan 8.270 nan 0.000 0.448 870 K N 3.092 123.535 120.400 0.072 0.000 2.416 870 K HA -0.010 4.308 4.320 -0.004 0.000 0.283 870 K C -0.146 176.484 176.600 0.049 0.000 1.037 870 K CA 0.451 56.781 56.287 0.071 0.000 0.995 870 K CB 0.693 33.263 32.500 0.116 0.000 0.938 870 K HN 0.419 nan 8.250 nan 0.000 0.475 871 Q N 2.008 121.824 119.800 0.027 0.000 2.377 871 Q HA 0.318 4.656 4.340 -0.004 0.000 0.271 871 Q C -1.143 174.854 176.000 -0.005 0.000 1.077 871 Q CA -1.110 54.703 55.803 0.017 0.000 0.820 871 Q CB 2.027 30.777 28.738 0.020 0.000 1.347 871 Q HN 0.337 nan 8.270 nan 0.000 0.444 872 L N 3.568 124.790 121.223 -0.002 0.000 2.315 872 L HA 0.372 4.710 4.340 -0.004 0.000 0.283 872 L C -0.737 176.132 176.870 -0.003 0.000 1.089 872 L CA 0.215 55.044 54.840 -0.018 0.000 0.833 872 L CB 0.343 42.404 42.059 0.002 0.000 1.170 872 L HN 0.567 nan 8.230 nan 0.000 0.442 873 V N 1.276 121.181 119.914 -0.016 0.000 3.076 873 V HA 0.873 4.990 4.120 -0.004 0.000 0.311 873 V C -0.276 175.823 176.094 0.008 0.000 1.346 873 V CA -0.215 62.086 62.300 0.002 0.000 1.056 873 V CB 1.412 33.237 31.823 0.002 0.000 1.093 873 V HN 0.753 nan 8.190 nan 0.000 0.468 874 S N -0.173 115.545 115.700 0.030 0.000 2.704 874 S HA 0.949 5.417 4.470 -0.004 0.000 0.305 874 S C -0.476 174.157 174.600 0.056 0.000 1.107 874 S CA -0.149 58.094 58.200 0.071 0.000 0.993 874 S CB 1.548 64.825 63.200 0.129 0.000 1.110 874 S HN 2.271 nan 8.310 nan 0.000 0.534 875 V N -1.029 118.933 119.914 0.079 0.000 2.686 875 V HA 0.676 4.793 4.120 -0.004 0.000 0.306 875 V C -1.116 175.033 176.094 0.092 0.000 1.065 875 V CA -0.890 61.444 62.300 0.056 0.000 0.894 875 V CB 1.072 32.907 31.823 0.021 0.000 1.004 875 V HN 0.906 nan 8.190 nan 0.000 0.424 876 L N 5.096 126.362 121.223 0.072 0.000 2.316 876 L HA 0.560 4.898 4.340 -0.004 0.000 0.280 876 L C -2.571 174.331 176.870 0.054 0.000 1.006 876 L CA -1.723 53.166 54.840 0.082 0.000 0.836 876 L CB 2.453 44.550 42.059 0.063 0.000 1.221 876 L HN 0.433 nan 8.230 nan 0.000 0.418 877 P HA 0.031 nan 4.420 nan 0.000 0.271 877 P C 1.047 178.366 177.300 0.032 0.000 1.220 877 P CA -0.228 62.893 63.100 0.035 0.000 0.768 877 P CB 1.159 32.878 31.700 0.031 0.000 0.848 878 V N 1.786 121.714 119.914 0.023 0.000 2.324 878 V HA -0.206 3.912 4.120 -0.004 0.000 0.250 878 V C 1.068 177.173 176.094 0.019 0.000 1.060 878 V CA 1.902 64.213 62.300 0.019 0.000 1.042 878 V CB -0.841 30.990 31.823 0.014 0.000 0.650 878 V HN 0.628 nan 8.190 nan 0.000 0.450 879 D N 0.289 120.700 120.400 0.018 0.000 2.374 879 D HA 0.076 4.714 4.640 -0.004 0.000 0.240 879 D C 1.091 177.404 176.300 0.023 0.000 1.229 879 D CA -0.055 53.955 54.000 0.015 0.000 0.895 879 D CB 0.736 41.542 40.800 0.010 0.000 1.046 879 D HN 0.287 nan 8.370 nan 0.000 0.498 880 K N 1.315 121.731 120.400 0.027 0.000 2.589 880 K HA -0.090 4.228 4.320 -0.004 0.000 0.195 880 K C 1.362 177.985 176.600 0.038 0.000 1.040 880 K CA 0.828 57.139 56.287 0.040 0.000 0.950 880 K CB 0.054 32.578 32.500 0.039 0.000 0.781 880 K HN 0.352 nan 8.250 nan 0.000 0.486 881 S N -0.118 115.594 115.700 0.019 0.000 2.523 881 S HA 0.111 4.578 4.470 -0.004 0.000 0.217 881 S C 0.493 175.093 174.600 0.000 0.000 0.996 881 S CA -0.609 57.594 58.200 0.005 0.000 0.921 881 S CB 0.058 63.252 63.200 -0.010 0.000 0.829 881 S HN 0.204 nan 8.310 nan 0.000 0.495 882 L N 3.133 124.360 121.223 0.007 0.000 2.283 882 L HA 0.455 4.792 4.340 -0.004 0.000 0.287 882 L C 0.030 176.900 176.870 -0.001 0.000 1.073 882 L CA -0.577 54.263 54.840 0.001 0.000 0.822 882 L CB 0.624 42.686 42.059 0.004 0.000 1.186 882 L HN 0.167 nan 8.230 nan 0.000 0.436 883 R N 5.896 126.388 120.500 -0.014 0.000 2.229 883 R HA 0.413 4.750 4.340 -0.004 0.000 0.328 883 R C -0.845 175.430 176.300 -0.042 0.000 1.009 883 R CA -0.674 55.407 56.100 -0.032 0.000 0.864 883 R CB 0.809 31.086 30.300 -0.039 0.000 1.085 883 R HN 0.671 nan 8.270 nan 0.000 0.453 884 L N 6.281 127.470 121.223 -0.057 0.000 2.439 884 L HA 0.329 4.666 4.340 -0.004 0.000 0.269 884 L C -1.693 175.140 176.870 -0.062 0.000 1.179 884 L CA -1.803 53.007 54.840 -0.049 0.000 0.828 884 L CB 0.557 42.585 42.059 -0.052 0.000 1.106 884 L HN 0.424 nan 8.230 nan 0.000 0.467 885 P HA 0.157 nan 4.420 nan 0.000 0.284 885 P C -0.998 176.296 177.300 -0.011 0.000 1.253 885 P CA -0.582 62.506 63.100 -0.020 0.000 0.800 885 P CB 0.861 32.564 31.700 0.005 0.000 0.961 886 E N 0.664 120.855 120.200 -0.016 0.000 2.376 886 E HA 0.329 4.676 4.350 -0.004 0.000 0.266 886 E C 1.074 177.750 176.600 0.126 0.000 1.009 886 E CA 0.585 57.002 56.400 0.028 0.000 0.902 886 E CB -0.098 29.610 29.700 0.013 0.000 0.972 886 E HN 0.819 nan 8.360 nan 0.000 0.439 887 G N 2.130 111.083 108.800 0.254 0.000 2.201 887 G HA2 -0.266 3.692 3.960 -0.004 0.000 0.212 887 G HA3 -0.266 3.692 3.960 -0.004 0.000 0.212 887 G C 0.415 175.448 174.900 0.222 0.000 0.994 887 G CA -0.265 45.014 45.100 0.298 0.000 0.644 887 G HN 0.810 nan 8.290 nan 0.000 0.508 888 A N 0.447 123.363 122.820 0.159 0.000 2.565 888 A HA 0.626 4.943 4.320 -0.004 0.000 0.237 888 A C 1.018 178.692 177.584 0.150 0.000 1.053 888 A CA 1.392 53.494 52.037 0.109 0.000 0.755 888 A CB 0.205 19.241 19.000 0.060 0.000 0.980 888 A HN 2.131 nan 8.150 nan 0.000 0.506 889 A N 2.528 125.413 122.820 0.108 0.000 2.327 889 A HA 0.645 4.963 4.320 -0.004 0.000 0.283 889 A C -0.193 177.444 177.584 0.089 0.000 1.127 889 A CA -0.410 51.696 52.037 0.115 0.000 0.810 889 A CB 0.269 19.312 19.000 0.071 0.000 1.066 889 A HN 0.846 nan 8.150 nan 0.000 0.492 890 L N 2.585 123.866 121.223 0.097 0.000 2.341 890 L HA 0.676 5.014 4.340 -0.004 0.000 0.278 890 L C -0.268 176.637 176.870 0.058 0.000 1.005 890 L CA -0.895 53.986 54.840 0.067 0.000 0.818 890 L CB 1.799 43.896 42.059 0.063 0.000 1.259 890 L HN 0.654 nan 8.230 nan 0.000 0.418 891 V N -0.041 119.898 119.914 0.043 0.000 3.001 891 V HA 0.895 5.013 4.120 -0.004 0.000 0.314 891 V C 0.208 176.320 176.094 0.029 0.000 1.099 891 V CA -0.918 61.403 62.300 0.036 0.000 0.989 891 V CB 1.673 33.514 31.823 0.030 0.000 1.040 891 V HN 0.826 nan 8.190 nan 0.000 0.434 892 A N 1.958 124.794 122.820 0.027 0.000 2.507 892 A HA 0.432 4.749 4.320 -0.004 0.000 0.235 892 A C 1.583 179.178 177.584 0.019 0.000 1.070 892 A CA 0.471 52.521 52.037 0.022 0.000 0.768 892 A CB 0.161 19.174 19.000 0.021 0.000 1.011 892 A HN 2.099 nan 8.150 nan 0.000 0.502 893 S N 0.113 115.823 115.700 0.017 0.000 2.474 893 S HA -0.117 4.350 4.470 -0.004 0.000 0.235 893 S C 0.661 175.269 174.600 0.013 0.000 0.997 893 S CA 1.239 59.448 58.200 0.015 0.000 0.949 893 S CB -0.200 63.008 63.200 0.013 0.000 0.766 893 S HN 0.829 nan 8.310 nan 0.000 0.517 894 D N 0.995 121.403 120.400 0.013 0.000 2.538 894 D HA 0.398 5.036 4.640 -0.004 0.000 0.231 894 D C 0.328 176.635 176.300 0.013 0.000 1.229 894 D CA -0.237 53.770 54.000 0.012 0.000 0.828 894 D CB -0.092 40.715 40.800 0.011 0.000 1.035 894 D HN 0.418 nan 8.370 nan 0.000 0.495 895 A N 0.667 123.496 122.820 0.015 0.000 2.498 895 A HA 0.362 4.680 4.320 -0.004 0.000 0.239 895 A C -0.345 177.247 177.584 0.013 0.000 1.068 895 A CA -0.211 51.835 52.037 0.016 0.000 0.766 895 A CB 0.231 19.242 19.000 0.019 0.000 1.003 895 A HN 0.377 nan 8.150 nan 0.000 0.497 896 L N 2.301 123.531 121.223 0.013 0.000 2.333 896 L HA 0.670 5.008 4.340 -0.004 0.000 0.280 896 L C 0.285 177.161 176.870 0.011 0.000 1.004 896 L CA -0.015 54.832 54.840 0.011 0.000 0.820 896 L CB 1.526 43.591 42.059 0.010 0.000 1.247 896 L HN 0.800 nan 8.230 nan 0.000 0.416 897 A N 3.371 126.197 122.820 0.010 0.000 2.309 897 A HA 0.669 4.986 4.320 -0.004 0.000 0.290 897 A C -0.314 177.275 177.584 0.007 0.000 1.206 897 A CA -0.019 52.024 52.037 0.009 0.000 0.850 897 A CB 0.119 19.123 19.000 0.008 0.000 1.118 897 A HN 0.802 nan 8.150 nan 0.000 0.523 898 S N 2.547 118.251 115.700 0.007 0.000 2.647 898 S HA 0.586 5.054 4.470 -0.004 0.000 0.300 898 S C -0.276 174.327 174.600 0.005 0.000 1.129 898 S CA -0.531 57.672 58.200 0.006 0.000 1.029 898 S CB 1.121 64.324 63.200 0.006 0.000 1.007 898 S HN 0.754 nan 8.310 nan 0.000 0.484 899 E N 1.538 121.740 120.200 0.004 0.000 3.070 899 E HA -0.223 4.125 4.350 -0.004 0.000 0.285 899 E C 0.944 177.546 176.600 0.003 0.000 0.972 899 E CA 1.142 57.544 56.400 0.003 0.000 0.915 899 E CB -1.971 27.731 29.700 0.003 0.000 1.466 899 E HN 2.047 nan 8.360 nan 0.000 0.432 900 G N -0.045 108.757 108.800 0.004 0.000 2.159 900 G HA2 -0.316 3.641 3.960 -0.004 0.000 0.256 900 G HA3 -0.316 3.641 3.960 -0.004 0.000 0.256 900 G C 0.285 175.187 174.900 0.004 0.000 0.977 900 G CA 0.344 45.446 45.100 0.004 0.000 0.652 900 G HN 0.360 nan 8.290 nan 0.000 0.531 901 I N 1.773 122.346 120.570 0.005 0.000 2.362 901 I HA 0.423 4.590 4.170 -0.004 0.000 0.289 901 I C -0.138 175.985 176.117 0.009 0.000 0.994 901 I CA -0.508 60.795 61.300 0.006 0.000 1.158 901 I CB 1.914 39.918 38.000 0.005 0.000 1.315 901 I HN -0.014 nan 8.210 nan 0.000 0.451 902 T N 6.873 121.433 114.554 0.011 0.000 2.786 902 T HA 0.380 4.728 4.350 -0.004 0.000 0.283 902 T C -2.279 172.431 174.700 0.017 0.000 0.992 902 T CA -1.190 60.919 62.100 0.014 0.000 0.954 902 T CB 1.363 70.240 68.868 0.015 0.000 0.934 902 T HN 0.401 nan 8.240 nan 0.000 0.440 903 P HA 0.232 nan 4.420 nan 0.000 0.268 903 P C -0.815 176.503 177.300 0.030 0.000 1.205 903 P CA -0.237 62.877 63.100 0.023 0.000 0.771 903 P CB 0.634 32.347 31.700 0.023 0.000 0.858 904 M N 2.064 121.686 119.600 0.037 0.000 2.472 904 M HA 0.182 4.659 4.480 -0.004 0.000 0.331 904 M C 1.175 177.512 176.300 0.061 0.000 1.170 904 M CA -0.566 54.764 55.300 0.051 0.000 1.009 904 M CB 1.880 34.516 32.600 0.059 0.000 1.672 904 M HN 0.252 nan 8.290 nan 0.000 0.453 905 E N 0.904 121.144 120.200 0.067 0.000 2.415 905 E HA 0.330 4.677 4.350 -0.004 0.000 0.197 905 E C 0.686 177.342 176.600 0.093 0.000 1.007 905 E CA 0.242 56.682 56.400 0.067 0.000 0.890 905 E CB 0.873 30.603 29.700 0.050 0.000 0.891 905 E HN 0.962 nan 8.360 nan 0.000 0.496 906 G N 0.309 109.189 108.800 0.133 0.000 2.351 906 G HA2 0.233 4.190 3.960 -0.004 0.000 0.279 906 G HA3 0.233 4.190 3.960 -0.004 0.000 0.279 906 G C -1.821 173.261 174.900 0.304 0.000 1.297 906 G CA -0.444 44.783 45.100 0.212 0.000 0.886 906 G HN 0.041 nan 8.290 nan 0.000 0.493 907 W N -0.627 120.683 121.300 0.016 0.000 3.118 907 W HA 0.686 5.344 4.660 -0.004 0.000 0.328 907 W C -1.317 175.206 176.519 0.007 0.000 1.239 907 W CA -1.366 55.985 57.345 0.010 0.000 1.176 907 W CB 0.891 30.358 29.460 0.011 0.000 1.433 907 W HN 0.629 nan 8.180 nan 0.000 0.562 908 V N 2.937 122.885 119.914 0.057 0.000 2.389 908 V HA 0.111 4.228 4.120 -0.004 0.000 0.264 908 V C 1.445 177.423 176.094 -0.194 0.000 1.049 908 V CA 0.883 63.109 62.300 -0.123 0.000 0.932 908 V CB 0.687 32.487 31.823 -0.039 0.000 1.011 908 V HN 0.734 nan 8.190 nan 0.000 0.475 909 T N 1.000 115.262 114.554 -0.488 0.000 2.976 909 T HA 0.087 4.435 4.350 -0.004 0.000 0.257 909 T C 0.697 175.309 174.700 -0.146 0.000 1.051 909 T CA 0.316 62.145 62.100 -0.451 0.000 1.141 909 T CB 0.214 68.730 68.868 -0.587 0.000 0.881 909 T HN 0.516 nan 8.240 nan 0.000 0.461 910 S N 0.496 116.079 115.700 -0.196 0.000 2.547 910 S HA 0.685 5.153 4.470 -0.004 0.000 0.281 910 S C -1.139 173.135 174.600 -0.542 0.000 1.118 910 S CA -0.813 57.231 58.200 -0.260 0.000 0.947 910 S CB 2.075 65.271 63.200 -0.007 0.000 1.053 910 S HN 0.469 nan 8.310 nan 0.000 0.482 911 S N 2.089 117.215 115.700 -0.956 0.000 2.619 911 S HA 0.813 5.281 4.470 -0.004 0.000 0.280 911 S C -1.949 171.929 174.600 -1.203 0.000 1.150 911 S CA -0.409 57.259 58.200 -0.886 0.000 0.978 911 S CB 0.504 63.440 63.200 -0.441 0.000 1.041 911 S HN 0.582 nan 8.310 nan 0.000 0.485 912 Y N 1.087 121.114 120.300 -0.455 0.000 2.644 912 Y HA 0.515 5.063 4.550 -0.004 0.000 0.338 912 Y C -0.667 175.202 175.900 -0.052 0.000 1.119 912 Y CA -1.134 56.836 58.100 -0.217 0.000 1.060 912 Y CB 1.090 39.451 38.460 -0.166 0.000 1.294 912 Y HN 0.601 nan 8.280 nan 0.000 0.472 913 D N 0.707 121.258 120.400 0.252 0.000 2.473 913 D HA 0.205 4.842 4.640 -0.004 0.000 0.226 913 D C -0.843 175.683 176.300 0.376 0.000 1.089 913 D CA -0.093 54.067 54.000 0.267 0.000 0.883 913 D CB 0.966 41.868 40.800 0.169 0.000 1.029 913 D HN 0.405 nan 8.370 nan 0.000 0.517 914 S N 4.508 120.435 115.700 0.379 0.000 2.448 914 S HA 0.268 4.735 4.470 -0.004 0.000 0.279 914 S C -1.468 173.168 174.600 0.060 0.000 1.195 914 S CA -1.231 57.092 58.200 0.204 0.000 1.051 914 S CB 1.089 64.383 63.200 0.157 0.000 0.948 914 S HN 0.376 nan 8.310 nan 0.000 0.493 915 P HA 0.019 nan 4.420 nan 0.000 0.231 915 P C 0.323 177.469 177.300 -0.257 0.000 1.168 915 P CA 0.690 63.492 63.100 -0.497 0.000 0.779 915 P CB 0.001 30.952 31.700 -1.249 0.000 0.844 916 N N -0.088 118.452 118.700 -0.266 0.000 2.290 916 N HA 0.051 4.789 4.740 -0.004 0.000 0.179 916 N C 1.726 177.172 175.510 -0.106 0.000 1.016 916 N CA 0.576 53.464 53.050 -0.269 0.000 0.871 916 N CB -0.325 37.805 38.487 -0.596 0.000 0.987 916 N HN 0.090 nan 8.380 nan 0.000 0.431 917 L N -0.515 120.648 121.223 -0.101 0.000 2.529 917 L HA 0.256 4.593 4.340 -0.004 0.000 0.223 917 L C 1.026 177.899 176.870 0.005 0.000 1.113 917 L CA 0.005 54.823 54.840 -0.037 0.000 0.861 917 L CB -0.033 41.947 42.059 -0.131 0.000 1.012 917 L HN 0.252 nan 8.230 nan 0.000 0.461 918 G N 1.770 110.585 108.800 0.026 0.000 2.179 918 G HA2 -0.299 3.659 3.960 -0.004 0.000 0.257 918 G HA3 -0.299 3.659 3.960 -0.004 0.000 0.257 918 G C 0.251 175.209 174.900 0.097 0.000 1.010 918 G CA 0.712 45.856 45.100 0.073 0.000 0.736 918 G HN 0.562 nan 8.290 nan 0.000 0.513 919 R N -2.072 118.499 120.500 0.119 0.000 2.712 919 R HA 0.634 4.972 4.340 -0.004 0.000 0.272 919 R C 0.005 176.427 176.300 0.203 0.000 1.032 919 R CA -0.303 55.874 56.100 0.129 0.000 0.874 919 R CB -0.056 30.297 30.300 0.089 0.000 1.256 919 R HN 0.547 nan 8.270 nan 0.000 0.468 920 T N -0.416 114.244 114.554 0.177 0.000 2.860 920 T HA 0.561 4.909 4.350 -0.004 0.000 0.299 920 T C 0.095 174.972 174.700 0.295 0.000 1.045 920 T CA -0.196 62.024 62.100 0.200 0.000 1.071 920 T CB 0.330 69.251 68.868 0.088 0.000 0.985 920 T HN 0.571 nan 8.240 nan 0.000 0.537 921 F N -1.885 118.092 119.950 0.045 0.000 2.807 921 F HA 0.755 5.279 4.527 -0.004 0.000 0.316 921 F C -0.675 175.135 175.800 0.017 0.000 1.162 921 F CA -0.918 57.101 58.000 0.031 0.000 0.910 921 F CB 1.002 40.028 39.000 0.042 0.000 1.314 921 F HN 0.992 nan 8.300 nan 0.000 0.454 922 G N 1.147 109.871 108.800 -0.127 0.000 2.692 922 G HA2 0.614 4.571 3.960 -0.004 0.000 0.291 922 G HA3 0.614 4.571 3.960 -0.004 0.000 0.291 922 G C -2.394 172.474 174.900 -0.053 0.000 1.423 922 G CA -1.126 43.784 45.100 -0.316 0.000 0.843 922 G HN 0.832 nan 8.290 nan 0.000 0.486 923 L N 0.238 121.400 121.223 -0.102 0.000 2.334 923 L HA 0.825 5.163 4.340 -0.004 0.000 0.275 923 L C 0.365 177.146 176.870 -0.148 0.000 1.036 923 L CA -0.836 53.982 54.840 -0.037 0.000 0.807 923 L CB 1.863 43.917 42.059 -0.008 0.000 1.231 923 L HN 0.783 nan 8.230 nan 0.000 0.438 924 A N 3.005 125.734 122.820 -0.153 0.000 2.594 924 A HA 0.709 5.027 4.320 -0.004 0.000 0.295 924 A C -1.371 176.060 177.584 -0.255 0.000 1.071 924 A CA -0.523 51.362 52.037 -0.253 0.000 0.685 924 A CB 1.529 20.442 19.000 -0.147 0.000 1.285 924 A HN 0.613 nan 8.150 nan 0.000 0.405 925 L N 2.308 123.288 121.223 -0.405 0.000 2.262 925 L HA 0.539 4.877 4.340 -0.004 0.000 0.288 925 L C -0.920 175.893 176.870 -0.095 0.000 1.035 925 L CA -0.018 54.676 54.840 -0.244 0.000 0.820 925 L CB 0.663 42.540 42.059 -0.303 0.000 1.204 925 L HN 0.560 nan 8.230 nan 0.000 0.424 926 I N 3.312 123.865 120.570 -0.028 0.000 2.545 926 I HA 0.271 4.438 4.170 -0.004 0.000 0.292 926 I C -0.150 175.988 176.117 0.035 0.000 1.040 926 I CA -0.983 60.328 61.300 0.018 0.000 1.068 926 I CB 2.110 40.114 38.000 0.006 0.000 1.251 926 I HN 0.467 nan 8.210 nan 0.000 0.424 927 K N 4.294 124.725 120.400 0.051 0.000 2.466 927 K HA -0.080 4.238 4.320 -0.004 0.000 0.278 927 K C 0.670 177.292 176.600 0.035 0.000 1.048 927 K CA 0.429 56.745 56.287 0.048 0.000 1.088 927 K CB -0.117 32.413 32.500 0.051 0.000 0.884 927 K HN 0.610 nan 8.250 nan 0.000 0.478 928 N N 1.831 120.551 118.700 0.033 0.000 2.693 928 N HA -0.206 4.532 4.740 -0.004 0.000 0.249 928 N C 0.916 176.439 175.510 0.022 0.000 1.119 928 N CA 1.037 54.103 53.050 0.026 0.000 0.717 928 N CB -1.058 37.444 38.487 0.025 0.000 1.071 928 N HN 0.822 nan 8.380 nan 0.000 0.555 929 G N -0.067 108.745 108.800 0.020 0.000 2.503 929 G HA2 -0.319 3.639 3.960 -0.004 0.000 0.221 929 G HA3 -0.319 3.639 3.960 -0.004 0.000 0.221 929 G C 1.436 176.344 174.900 0.013 0.000 1.131 929 G CA 1.143 46.251 45.100 0.014 0.000 0.756 929 G HN 0.572 nan 8.290 nan 0.000 0.572 930 R N -0.009 120.500 120.500 0.016 0.000 2.241 930 R HA -0.012 4.326 4.340 -0.004 0.000 0.224 930 R C 1.086 177.394 176.300 0.013 0.000 1.101 930 R CA 0.874 56.983 56.100 0.015 0.000 0.995 930 R CB -0.032 30.279 30.300 0.020 0.000 0.870 930 R HN 0.256 nan 8.270 nan 0.000 0.463 931 N N 0.278 118.987 118.700 0.014 0.000 2.235 931 N HA 0.057 4.795 4.740 -0.004 0.000 0.209 931 N C 0.084 175.600 175.510 0.011 0.000 1.122 931 N CA 0.290 53.348 53.050 0.012 0.000 0.845 931 N CB 0.777 39.272 38.487 0.014 0.000 1.004 931 N HN 0.130 nan 8.380 nan 0.000 0.499 932 R N 0.133 120.640 120.500 0.011 0.000 2.629 932 R HA 0.295 4.633 4.340 -0.004 0.000 0.408 932 R C -0.229 176.076 176.300 0.009 0.000 1.057 932 R CA -0.452 55.654 56.100 0.011 0.000 1.119 932 R CB 0.873 31.181 30.300 0.014 0.000 1.403 932 R HN -0.040 nan 8.270 nan 0.000 0.576 933 I N 1.246 121.820 120.570 0.006 0.000 2.741 933 I HA -0.024 4.143 4.170 -0.004 0.000 0.288 933 I C 1.530 177.649 176.117 0.003 0.000 1.192 933 I CA 1.381 62.683 61.300 0.003 0.000 1.426 933 I CB 0.050 38.049 38.000 -0.001 0.000 1.367 933 I HN 0.675 nan 8.210 nan 0.000 0.563 934 G N 5.000 113.802 108.800 0.004 0.000 2.234 934 G HA2 -0.246 3.712 3.960 -0.004 0.000 0.235 934 G HA3 -0.246 3.712 3.960 -0.004 0.000 0.235 934 G C 0.377 175.281 174.900 0.006 0.000 0.997 934 G CA 0.168 45.270 45.100 0.003 0.000 0.623 934 G HN 0.640 nan 8.290 nan 0.000 0.514 935 E N 0.584 120.789 120.200 0.008 0.000 2.373 935 E HA 0.433 4.780 4.350 -0.004 0.000 0.267 935 E C 0.148 176.755 176.600 0.012 0.000 1.032 935 E CA -0.356 56.050 56.400 0.010 0.000 0.889 935 E CB 0.823 30.530 29.700 0.012 0.000 0.984 935 E HN 0.169 nan 8.360 nan 0.000 0.425 936 V N 6.192 126.113 119.914 0.012 0.000 2.383 936 V HA 0.266 4.383 4.120 -0.004 0.000 0.275 936 V C 0.283 176.386 176.094 0.015 0.000 1.036 936 V CA -0.354 61.954 62.300 0.013 0.000 0.889 936 V CB 0.651 32.481 31.823 0.012 0.000 0.985 936 V HN 0.591 nan 8.190 nan 0.000 0.459 937 L N 4.628 125.861 121.223 0.017 0.000 2.304 937 L HA 0.703 5.041 4.340 -0.004 0.000 0.268 937 L C -0.071 176.810 176.870 0.020 0.000 1.010 937 L CA -0.945 53.907 54.840 0.020 0.000 0.813 937 L CB 2.057 44.129 42.059 0.023 0.000 1.315 937 L HN 0.512 nan 8.230 nan 0.000 0.445 938 K N -0.118 120.296 120.400 0.022 0.000 2.385 938 K HA 0.637 4.954 4.320 -0.004 0.000 0.248 938 K C -1.143 175.471 176.600 0.025 0.000 0.955 938 K CA -0.674 55.626 56.287 0.021 0.000 0.816 938 K CB 2.382 34.893 32.500 0.018 0.000 1.250 938 K HN 0.485 nan 8.250 nan 0.000 0.434 939 T N 1.972 116.539 114.554 0.023 0.000 3.032 939 T HA 0.366 4.714 4.350 -0.004 0.000 0.312 939 T C -2.886 171.827 174.700 0.021 0.000 1.078 939 T CA -1.967 60.149 62.100 0.026 0.000 1.028 939 T CB 1.375 70.261 68.868 0.029 0.000 1.091 939 T HN 0.273 nan 8.240 nan 0.000 0.457 940 P HA 0.286 nan 4.420 nan 0.000 0.267 940 P C -0.723 176.586 177.300 0.015 0.000 1.209 940 P CA -0.191 62.919 63.100 0.017 0.000 0.763 940 P CB 0.879 32.589 31.700 0.017 0.000 0.816 941 V N 2.340 122.260 119.914 0.011 0.000 2.524 941 V HA 0.692 4.809 4.120 -0.004 0.000 0.297 941 V C 0.306 176.404 176.094 0.007 0.000 1.035 941 V CA 0.678 62.983 62.300 0.008 0.000 0.867 941 V CB 0.916 32.743 31.823 0.006 0.000 1.004 941 V HN 0.976 nan 8.190 nan 0.000 0.426 942 G N 6.013 114.817 108.800 0.006 0.000 2.531 942 G HA2 -0.266 3.692 3.960 -0.004 0.000 0.274 942 G HA3 -0.266 3.692 3.960 -0.004 0.000 0.274 942 G C -0.026 174.878 174.900 0.006 0.000 1.159 942 G CA 0.764 45.867 45.100 0.005 0.000 0.969 942 G HN 1.123 nan 8.290 nan 0.000 0.554 943 D N 1.231 121.634 120.400 0.005 0.000 2.670 943 D HA 0.452 5.090 4.640 -0.004 0.000 0.255 943 D C 0.499 176.802 176.300 0.006 0.000 1.286 943 D CA 0.270 54.274 54.000 0.006 0.000 0.830 943 D CB 0.823 41.626 40.800 0.005 0.000 1.065 943 D HN 0.532 nan 8.370 nan 0.000 0.486 944 Q N 0.142 119.945 119.800 0.006 0.000 2.495 944 Q HA 0.526 4.864 4.340 -0.004 0.000 0.287 944 Q C -1.474 174.531 176.000 0.008 0.000 1.078 944 Q CA -0.880 54.927 55.803 0.007 0.000 0.793 944 Q CB 1.943 30.684 28.738 0.006 0.000 1.459 944 Q HN 0.077 nan 8.270 nan 0.000 0.422 945 L N 2.421 123.649 121.223 0.009 0.000 2.296 945 L HA 0.581 4.919 4.340 -0.004 0.000 0.286 945 L C -0.349 176.527 176.870 0.010 0.000 1.023 945 L CA -0.915 53.931 54.840 0.011 0.000 0.812 945 L CB 1.615 43.681 42.059 0.012 0.000 1.223 945 L HN 0.474 nan 8.230 nan 0.000 0.421 946 V N -1.099 118.822 119.914 0.011 0.000 2.815 946 V HA 0.567 4.684 4.120 -0.004 0.000 0.314 946 V C -0.589 175.512 176.094 0.013 0.000 1.064 946 V CA -0.888 61.418 62.300 0.011 0.000 0.952 946 V CB 2.086 33.915 31.823 0.009 0.000 1.020 946 V HN 0.510 nan 8.190 nan 0.000 0.439 947 D N 2.607 123.015 120.400 0.013 0.000 2.302 947 D HA 0.600 5.237 4.640 -0.004 0.000 0.248 947 D C -0.018 176.292 176.300 0.016 0.000 1.094 947 D CA 0.222 54.231 54.000 0.014 0.000 0.897 947 D CB 1.788 42.595 40.800 0.013 0.000 1.200 947 D HN 1.047 nan 8.370 nan 0.000 0.429 948 V N -1.050 118.874 119.914 0.018 0.000 2.971 948 V HA 0.634 4.752 4.120 -0.004 0.000 0.309 948 V C -0.711 175.395 176.094 0.020 0.000 1.130 948 V CA -0.920 61.393 62.300 0.021 0.000 0.964 948 V CB 1.921 33.756 31.823 0.021 0.000 1.029 948 V HN 0.192 nan 8.190 nan 0.000 0.427 949 V N 4.022 123.949 119.914 0.023 0.000 2.398 949 V HA 0.420 4.538 4.120 -0.004 0.000 0.286 949 V C 0.366 176.473 176.094 0.021 0.000 1.026 949 V CA -0.651 61.661 62.300 0.019 0.000 0.868 949 V CB 1.598 33.430 31.823 0.016 0.000 0.982 949 V HN 0.838 nan 8.190 nan 0.000 0.443 950 V N 5.301 125.225 119.914 0.016 0.000 2.599 950 V HA 0.238 4.355 4.120 -0.004 0.000 0.300 950 V C 0.578 176.680 176.094 0.013 0.000 1.034 950 V CA 0.709 63.018 62.300 0.015 0.000 1.115 950 V CB 0.743 32.573 31.823 0.012 0.000 0.934 950 V HN 1.055 nan 8.190 nan 0.000 0.485 951 S N 2.833 118.542 115.700 0.015 0.000 2.732 951 S HA 0.464 4.931 4.470 -0.004 0.000 0.293 951 S C -0.802 173.800 174.600 0.002 0.000 1.159 951 S CA -1.022 57.182 58.200 0.007 0.000 0.847 951 S CB 1.404 64.609 63.200 0.009 0.000 1.169 951 S HN 0.709 nan 8.310 nan 0.000 0.501 952 E N 1.587 121.780 120.200 -0.013 0.000 2.442 952 E HA 0.053 4.401 4.350 -0.004 0.000 0.262 952 E C 0.875 177.465 176.600 -0.016 0.000 1.004 952 E CA 0.311 56.699 56.400 -0.019 0.000 0.928 952 E CB 0.226 29.903 29.700 -0.040 0.000 0.937 952 E HN 0.614 nan 8.360 nan 0.000 0.446 953 T N 0.792 115.341 114.554 -0.008 0.000 2.720 953 T HA -0.082 4.266 4.350 -0.004 0.000 0.268 953 T C 0.984 175.663 174.700 -0.034 0.000 1.037 953 T CA 0.851 62.951 62.100 -0.001 0.000 1.144 953 T CB 0.154 69.031 68.868 0.016 0.000 0.864 953 T HN 0.203 nan 8.240 nan 0.000 0.444 954 V N 2.460 122.335 119.914 -0.066 0.000 2.304 954 V HA 0.293 4.411 4.120 -0.004 0.000 0.269 954 V C 0.897 176.910 176.094 -0.135 0.000 1.036 954 V CA -0.201 62.023 62.300 -0.126 0.000 0.840 954 V CB 0.867 32.611 31.823 -0.132 0.000 1.036 954 V HN 0.339 nan 8.190 nan 0.000 0.466 955 L N 3.422 124.547 121.223 -0.163 0.000 2.202 955 L HA 0.186 4.523 4.340 -0.004 0.000 0.205 955 L C 0.686 177.459 176.870 -0.162 0.000 1.083 955 L CA 0.816 55.551 54.840 -0.176 0.000 0.790 955 L CB 0.029 41.929 42.059 -0.265 0.000 0.942 955 L HN 0.551 nan 8.230 nan 0.000 0.452 956 Y N 1.268 121.389 120.300 -0.298 0.000 2.326 956 Y HA 0.157 4.705 4.550 -0.004 0.000 0.337 956 Y C 0.218 175.984 175.900 -0.223 0.000 1.023 956 Y CA -1.288 56.654 58.100 -0.264 0.000 1.143 956 Y CB 0.532 38.815 38.460 -0.296 0.000 1.183 956 Y HN 0.121 nan 8.280 nan 0.000 0.485 957 D N 6.623 126.502 120.400 -0.868 0.000 2.704 957 D HA -0.181 4.456 4.640 -0.004 0.000 0.232 957 D C -1.746 174.351 176.300 -0.338 0.000 1.183 957 D CA 0.718 54.340 54.000 -0.630 0.000 0.647 957 D CB 0.041 40.425 40.800 -0.694 0.000 1.013 957 D HN 0.522 nan 8.370 nan 0.000 0.415 958 P HA -0.182 nan 4.420 nan 0.000 0.220 958 P C 1.047 178.244 177.300 -0.171 0.000 1.144 958 P CA 1.090 64.074 63.100 -0.193 0.000 0.800 958 P CB 0.311 31.915 31.700 -0.161 0.000 0.772 959 E N -0.771 119.320 120.200 -0.181 0.000 2.479 959 E HA 0.244 4.592 4.350 -0.004 0.000 0.193 959 E C 1.254 177.751 176.600 -0.170 0.000 1.049 959 E CA 0.297 56.602 56.400 -0.158 0.000 0.870 959 E CB -1.064 28.551 29.700 -0.143 0.000 0.944 959 E HN 0.225 nan 8.360 nan 0.000 0.492 960 G N 1.071 109.757 108.800 -0.190 0.000 2.305 960 G HA2 -0.353 3.605 3.960 -0.004 0.000 0.287 960 G HA3 -0.353 3.605 3.960 -0.004 0.000 0.287 960 G C 1.022 175.807 174.900 -0.192 0.000 1.036 960 G CA 0.800 45.782 45.100 -0.196 0.000 0.887 960 G HN 0.423 nan 8.290 nan 0.000 0.505 961 S N -1.145 114.447 115.700 -0.180 0.000 2.507 961 S HA 0.021 4.488 4.470 -0.004 0.000 0.235 961 S C 1.843 176.357 174.600 -0.142 0.000 0.988 961 S CA 1.106 59.213 58.200 -0.154 0.000 0.944 961 S CB -0.010 63.102 63.200 -0.146 0.000 0.762 961 S HN 0.653 nan 8.310 nan 0.000 0.526 962 R N 0.374 120.788 120.500 -0.145 0.000 2.334 962 R HA 0.330 4.667 4.340 -0.004 0.000 0.216 962 R C 2.197 178.425 176.300 -0.119 0.000 0.905 962 R CA -0.177 55.859 56.100 -0.107 0.000 1.064 962 R CB -0.120 30.142 30.300 -0.063 0.000 1.046 962 R HN 0.378 nan 8.270 nan 0.000 0.508 963 R N 1.383 121.775 120.500 -0.180 0.000 2.103 963 R HA -0.162 4.175 4.340 -0.004 0.000 0.242 963 R C 0.257 176.432 176.300 -0.208 0.000 1.142 963 R CA 1.875 57.817 56.100 -0.262 0.000 0.960 963 R CB 0.104 30.138 30.300 -0.444 0.000 0.858 963 R HN 0.140 nan 8.270 nan 0.000 0.439 964 D N -0.904 119.403 120.400 -0.155 0.000 2.368 964 D HA 0.228 4.866 4.640 -0.004 0.000 0.218 964 D C 0.435 176.700 176.300 -0.058 0.000 1.112 964 D CA 0.869 54.811 54.000 -0.097 0.000 0.834 964 D CB 1.051 41.806 40.800 -0.074 0.000 0.953 964 D HN 0.489 nan 8.370 nan 0.000 0.505 965 G N 0.000 108.762 108.800 -0.063 0.000 5.446 965 G HA2 0.000 3.958 3.960 -0.004 0.000 0.244 965 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 965 G CA 0.000 45.073 45.100 -0.044 0.000 0.502 965 G HN 0.000 nan 8.290 nan 0.000 0.925