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 3l4t_1_A DATA FIRST_RESID 8 DATA SEQUENCE NELERINcIP DQPPTKATCD QRGcCWNPQX AVSVPWCYYS KNHSYHVEGN DATA SEQUENCE LVNTNAGFTA RLKNLXXXXV FGSNVDNVLL TAEYQTSNRF HFKLTDQTNN DATA SEQUENCE RFEVPHXHVQ SFSGNAAASL TYQVEISRQP FSIKVTRRSN NRVLFDSSIG DATA SEQUENCE PLLFADQFLQ LSTRLPSTNV YGLGEHVHQQ YRHDMNWKTW PIFNRDTTPN DATA SEQUENCE GNGTNLYGAQ TFFLCLEDAS GLSFGVFLMN SNAMEVVLQP APAITYRTIG DATA SEQUENCE GILDFYVFLG NTPEQVVQEY LELIGRPALP SYWALGFHLS RYEYGTLDNM DATA SEQUENCE REVVERNRAA QLPYDVQHAD IDYMDERRDF TYDSVDFKGF PEFVNELHNN DATA SEQUENCE GQKLVIIVDP AISNNSSSSK PYGPYDRGSD MKIWVNSSDG VTPLIGEVWP DATA SEQUENCE GQTVFPDYTN PNCAVWWTKE FELFHNQVEF DGIWIDMNEV SNFVDGSVSG DATA SEQUENCE CSTNNLNNPP FTPRILDGYL FCKTLCMDAV QHWGKQYDIH NLYGYSMAVA DATA SEQUENCE TAEAAKTVFP NKRSFILTRS TFAGSGKFAA HWLGDNTATW DDLRWSIPGV DATA SEQUENCE LEFNLFGIPM VGPDIcGFAL DTPEELcRRW MQLGAFYPFS RNHNGQGYKD DATA SEQUENCE QDPASFGADS LLLNSSRHYL NIRYTLLPYL YTLFFRAHSR GDTVARPLLH DATA SEQUENCE EFYEDNSTWD VHQQFLWGPG LLITPVLDEG AEKVMAYVPD AVWYDYETGS DATA SEQUENCE QVRWRKQKVE MELPGDKIGL HLRGGYIFPT QQPNTTTLAS RKNPLGLIIA DATA SEQUENCE LDENKEAKGE LFWDDGETKD TVANKVYLLC EFSVTQNRLE VNISQSTYKD DATA SEQUENCE PNNLAFNEIK ILGTEEPSNV TVKHNGVPSX TSPTVTYDSN LKVAIITDID DATA SEQUENCE LLLGEAYTVE WAH 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 8 N HA 0.000 nan 4.740 nan 0.000 0.220 8 N C 0.000 175.479 175.510 -0.051 0.000 1.280 8 N CA 0.000 53.032 53.050 -0.031 0.000 0.885 8 N CB 0.000 38.473 38.487 -0.023 0.000 1.341 9 E N 1.754 121.932 120.200 -0.037 0.000 2.268 9 E HA -0.089 4.261 4.350 -0.000 0.000 0.195 9 E C 0.733 177.400 176.600 0.112 0.000 0.995 9 E CA 0.750 57.130 56.400 -0.033 0.000 0.836 9 E CB 0.032 29.721 29.700 -0.017 0.000 0.763 9 E HN 0.579 nan 8.360 nan 0.000 0.491 10 L N 0.614 121.894 121.223 0.095 0.000 2.465 10 L HA -0.006 4.334 4.340 -0.000 0.000 0.224 10 L C 1.694 178.547 176.870 -0.028 0.000 1.145 10 L CA 0.892 55.778 54.840 0.076 0.000 0.834 10 L CB -0.233 41.800 42.059 -0.043 0.000 0.944 10 L HN 0.161 nan 8.230 nan 0.000 0.451 11 E N -0.171 120.027 120.200 -0.003 0.000 2.481 11 E HA 0.098 4.447 4.350 -0.000 0.000 0.198 11 E C 0.211 176.825 176.600 0.024 0.000 1.027 11 E CA -0.255 56.133 56.400 -0.020 0.000 0.900 11 E CB 0.521 30.204 29.700 -0.029 0.000 0.993 11 E HN 0.376 nan 8.360 nan 0.000 0.482 12 R N 1.403 121.917 120.500 0.024 0.000 2.442 12 R HA 0.144 4.484 4.340 -0.000 0.000 0.291 12 R C -0.199 176.216 176.300 0.191 0.000 1.069 12 R CA 0.092 56.174 56.100 -0.030 0.000 1.022 12 R CB 0.737 30.837 30.300 -0.332 0.000 0.976 12 R HN -0.035 nan 8.270 nan 0.000 0.443 13 I N 3.286 124.014 120.570 0.264 0.000 2.312 13 I HA 0.052 4.222 4.170 -0.000 0.000 0.290 13 I C 0.229 176.548 176.117 0.336 0.000 1.008 13 I CA -1.054 60.441 61.300 0.326 0.000 1.226 13 I CB 0.789 39.016 38.000 0.379 0.000 1.371 13 I HN 0.533 nan 8.210 nan 0.000 0.468 14 N N 4.820 123.671 118.700 0.252 0.000 2.447 14 N HA -0.079 4.661 4.740 -0.000 0.000 0.263 14 N C 0.759 176.275 175.510 0.011 0.000 1.226 14 N CA 0.324 53.452 53.050 0.129 0.000 0.906 14 N CB 0.649 39.203 38.487 0.111 0.000 1.060 14 N HN 0.739 nan 8.380 nan 0.000 0.468 15 c N 4.662 123.117 118.600 -0.240 0.000 2.799 15 c HA 0.434 5.004 4.570 -0.000 0.000 0.267 15 c C 0.523 174.509 174.090 -0.173 0.000 1.257 15 c CA -0.381 55.580 56.329 -0.614 0.000 1.702 15 c CB -1.097 40.904 42.510 -0.848 0.000 1.934 15 c HN 0.710 nan 8.230 nan 0.000 0.594 16 I N 2.636 123.191 120.570 -0.027 0.000 2.750 16 I HA 0.270 4.440 4.170 -0.000 0.000 0.279 16 I C -1.757 174.421 176.117 0.101 0.000 1.206 16 I CA -1.082 60.250 61.300 0.054 0.000 1.101 16 I CB 1.151 39.191 38.000 0.066 0.000 1.431 16 I HN 0.115 nan 8.210 nan 0.000 0.551 17 P HA 0.001 nan 4.420 nan 0.000 0.249 17 P C 0.347 177.844 177.300 0.328 0.000 1.229 17 P CA 0.717 63.943 63.100 0.209 0.000 0.788 17 P CB 0.298 32.121 31.700 0.204 0.000 1.072 18 D N -0.658 119.939 120.400 0.329 0.000 2.388 18 D HA -0.007 4.633 4.640 -0.000 0.000 0.208 18 D C 0.839 177.224 176.300 0.142 0.000 1.035 18 D CA 0.509 54.712 54.000 0.338 0.000 0.875 18 D CB 0.116 41.209 40.800 0.488 0.000 0.984 18 D HN 0.354 nan 8.370 nan 0.000 0.508 19 Q N -0.255 119.606 119.800 0.101 0.000 2.534 19 Q HA 0.530 4.870 4.340 -0.000 0.000 0.290 19 Q C -3.214 172.792 176.000 0.010 0.000 0.991 19 Q CA -1.952 53.875 55.803 0.040 0.000 0.783 19 Q CB 1.313 30.077 28.738 0.044 0.000 1.470 19 Q HN -0.318 nan 8.270 nan 0.000 0.406 20 P HA 0.072 nan 4.420 nan 0.000 0.264 20 P C -2.389 174.918 177.300 0.012 0.000 1.183 20 P CA -0.330 62.738 63.100 -0.053 0.000 0.763 20 P CB -0.178 31.491 31.700 -0.052 0.000 0.807 21 P HA 0.104 nan 4.420 nan 0.000 0.276 21 P C -0.672 176.881 177.300 0.422 0.000 1.235 21 P CA 0.040 63.289 63.100 0.247 0.000 0.772 21 P CB 0.647 32.524 31.700 0.295 0.000 0.871 22 T N -1.148 113.545 114.554 0.231 0.000 2.907 22 T HA 0.333 4.683 4.350 -0.000 0.000 0.292 22 T C 0.985 175.272 174.700 -0.690 0.000 1.043 22 T CA -0.891 61.172 62.100 -0.061 0.000 1.003 22 T CB 2.328 71.151 68.868 -0.073 0.000 1.084 22 T HN 0.278 nan 8.240 nan 0.000 0.483 23 K N 0.847 120.492 120.400 -1.258 0.000 2.057 23 K HA -0.023 4.297 4.320 -0.000 0.000 0.207 23 K C 2.363 178.565 176.600 -0.664 0.000 1.049 23 K CA 1.471 56.857 56.287 -1.502 0.000 0.931 23 K CB -0.745 30.952 32.500 -1.338 0.000 0.714 23 K HN 0.724 nan 8.250 nan 0.000 0.440 24 A N 0.369 122.940 122.820 -0.415 0.000 1.902 24 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 24 A C 2.193 179.660 177.584 -0.195 0.000 1.181 24 A CA 2.174 54.062 52.037 -0.249 0.000 0.623 24 A CB -1.055 17.841 19.000 -0.174 0.000 0.818 24 A HN 0.420 nan 8.150 nan 0.000 0.443 25 T N -0.969 113.479 114.554 -0.177 0.000 2.708 25 T HA -0.211 4.139 4.350 -0.000 0.000 0.266 25 T C 1.983 176.610 174.700 -0.123 0.000 1.037 25 T CA 1.471 63.495 62.100 -0.126 0.000 1.146 25 T CB -0.852 67.965 68.868 -0.084 0.000 0.865 25 T HN 0.644 nan 8.240 nan 0.000 0.435 26 C N 1.851 121.071 119.300 -0.133 0.000 2.393 26 C HA -0.167 4.292 4.460 -0.000 0.000 0.276 26 C C 2.422 177.354 174.990 -0.096 0.000 1.215 26 C CA 1.323 60.296 59.018 -0.075 0.000 1.743 26 C CB -1.255 26.492 27.740 0.011 0.000 2.044 26 C HN 0.510 nan 8.230 nan 0.000 0.464 27 D N -0.074 120.238 120.400 -0.147 0.000 2.104 27 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 27 D C 2.330 178.579 176.300 -0.084 0.000 0.994 27 D CA 1.444 55.378 54.000 -0.111 0.000 0.830 27 D CB -0.691 40.026 40.800 -0.138 0.000 0.959 27 D HN 0.691 nan 8.370 nan 0.000 0.452 28 Q N -0.141 119.599 119.800 -0.100 0.000 2.181 28 Q HA -0.082 4.257 4.340 -0.000 0.000 0.205 28 Q C 1.798 177.743 176.000 -0.092 0.000 0.980 28 Q CA 0.946 56.694 55.803 -0.091 0.000 0.862 28 Q CB -0.009 28.667 28.738 -0.104 0.000 0.905 28 Q HN 0.272 nan 8.270 nan 0.000 0.429 29 R N -0.825 119.617 120.500 -0.098 0.000 2.334 29 R HA 0.107 4.447 4.340 -0.000 0.000 0.216 29 R C 0.806 177.055 176.300 -0.086 0.000 0.905 29 R CA 0.454 56.491 56.100 -0.106 0.000 1.064 29 R CB 0.597 30.823 30.300 -0.123 0.000 1.046 29 R HN 0.295 nan 8.270 nan 0.000 0.508 30 G N 1.283 110.058 108.800 -0.042 0.000 2.221 30 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.265 30 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.265 30 G C 0.151 175.090 174.900 0.065 0.000 1.041 30 G CA 0.169 45.294 45.100 0.041 0.000 0.807 30 G HN 0.346 nan 8.290 nan 0.000 0.502 31 c N -0.981 117.613 118.600 -0.010 0.000 2.380 31 c HA 0.767 5.336 4.570 -0.000 0.000 0.393 31 c C 1.381 175.411 174.090 -0.100 0.000 1.284 31 c CA -0.460 55.835 56.329 -0.056 0.000 2.033 31 c CB 1.194 43.615 42.510 -0.148 0.000 2.165 31 c HN 0.710 nan 8.230 nan 0.000 0.540 32 C N 1.174 120.292 119.300 -0.304 0.000 2.405 32 C HA 0.531 4.990 4.460 -0.000 0.000 0.365 32 C C -0.281 174.539 174.990 -0.283 0.000 1.233 32 C CA -0.622 58.145 59.018 -0.418 0.000 2.230 32 C CB 0.031 27.223 27.740 -0.914 0.000 2.443 32 C HN 0.866 nan 8.230 nan 0.000 0.556 33 W N 4.087 125.232 121.300 -0.258 0.000 2.538 33 W HA 0.411 5.071 4.660 -0.000 0.000 0.322 33 W C -0.842 175.662 176.519 -0.025 0.000 1.028 33 W CA -0.169 57.117 57.345 -0.099 0.000 1.228 33 W CB 0.953 30.368 29.460 -0.074 0.000 1.356 33 W HN 0.748 nan 8.180 nan 0.000 0.452 34 N N 7.977 126.345 118.700 -0.554 0.000 2.839 34 N HA 0.069 4.809 4.740 -0.000 0.000 0.230 34 N C -2.259 172.831 175.510 -0.699 0.000 1.388 34 N CA -0.761 52.039 53.050 -0.417 0.000 0.747 34 N CB 1.589 40.091 38.487 0.024 0.000 1.411 34 N HN 0.149 nan 8.380 nan 0.000 0.556 35 P HA -0.053 nan 4.420 nan 0.000 0.259 35 P C 0.244 176.910 177.300 -1.056 0.000 1.307 35 P CA 0.621 62.708 63.100 -1.689 0.000 0.768 35 P CB 0.328 30.965 31.700 -1.772 0.000 1.199 39 V N 2.894 122.761 119.914 -0.078 0.000 2.655 39 V HA 0.438 4.558 4.120 -0.000 0.000 0.300 39 V C 1.137 177.035 176.094 -0.327 0.000 1.044 39 V CA 2.118 64.328 62.300 -0.151 0.000 1.095 39 V CB 0.665 32.430 31.823 -0.097 0.000 0.952 39 V HN 2.122 nan 8.190 nan 0.000 0.485 40 S N 1.794 117.227 115.700 -0.444 0.000 2.524 40 S HA -0.173 4.296 4.470 -0.000 0.000 0.254 40 S C 0.225 174.100 174.600 -1.210 0.000 1.258 40 S CA 0.868 58.648 58.200 -0.700 0.000 1.448 40 S CB -1.699 61.161 63.200 -0.567 0.000 1.806 40 S HN 1.002 nan 8.310 nan 0.000 0.630 41 V N 4.218 123.505 119.914 -1.044 0.000 2.540 41 V HA 0.164 4.283 4.120 -0.000 0.000 0.297 41 V C -1.914 173.850 176.094 -0.549 0.000 1.024 41 V CA -0.808 60.922 62.300 -0.951 0.000 1.105 41 V CB 0.125 31.740 31.823 -0.348 0.000 0.938 41 V HN 0.117 nan 8.190 nan 0.000 0.482 42 P HA 0.022 nan 4.420 nan 0.000 0.266 42 P C -0.049 177.291 177.300 0.066 0.000 1.215 42 P CA -0.048 62.945 63.100 -0.178 0.000 0.763 42 P CB 0.321 31.992 31.700 -0.049 0.000 0.806 43 W N 2.446 123.614 121.300 -0.220 0.000 2.402 43 W HA 0.003 4.663 4.660 -0.000 0.000 0.286 43 W C 0.865 177.224 176.519 -0.266 0.000 1.221 43 W CA 0.041 57.151 57.345 -0.391 0.000 1.257 43 W CB -0.644 28.457 29.460 -0.598 0.000 1.120 43 W HN 0.261 nan 8.180 nan 0.000 0.551 44 C N 1.313 120.754 119.300 0.235 0.000 2.369 44 C HA 0.678 5.138 4.460 -0.000 0.000 0.322 44 C C -0.849 174.241 174.990 0.166 0.000 1.258 44 C CA -0.828 58.341 59.018 0.251 0.000 1.487 44 C CB -0.892 27.058 27.740 0.350 0.000 2.165 44 C HN 0.222 nan 8.230 nan 0.000 0.483 45 Y N 2.908 123.196 120.300 -0.020 0.000 2.571 45 Y HA 0.665 5.214 4.550 -0.000 0.000 0.341 45 Y C -1.337 174.533 175.900 -0.049 0.000 1.076 45 Y CA -1.485 56.573 58.100 -0.071 0.000 1.029 45 Y CB 0.248 38.729 38.460 0.034 0.000 1.308 45 Y HN 0.605 nan 8.280 nan 0.000 0.461 46 Y N 1.987 122.423 120.300 0.227 0.000 2.597 46 Y HA 0.262 4.812 4.550 -0.000 0.000 0.336 46 Y C 1.146 177.135 175.900 0.149 0.000 1.216 46 Y CA 0.482 58.670 58.100 0.147 0.000 1.463 46 Y CB 0.615 39.177 38.460 0.170 0.000 1.303 46 Y HN 0.762 nan 8.280 nan 0.000 0.576 47 S N 2.031 117.893 115.700 0.270 0.000 2.603 47 S HA 0.177 4.647 4.470 -0.000 0.000 0.268 47 S C 0.856 175.593 174.600 0.228 0.000 1.317 47 S CA -0.922 57.395 58.200 0.195 0.000 1.012 47 S CB 1.047 64.356 63.200 0.182 0.000 0.926 47 S HN 0.737 nan 8.310 nan 0.000 0.539 48 K N 0.339 120.844 120.400 0.175 0.000 2.442 48 K HA 0.028 4.348 4.320 -0.000 0.000 0.198 48 K C -0.073 176.602 176.600 0.124 0.000 1.042 48 K CA 0.694 57.069 56.287 0.147 0.000 0.958 48 K CB -0.225 32.342 32.500 0.112 0.000 0.766 48 K HN 0.540 nan 8.250 nan 0.000 0.474 49 N N -0.049 118.727 118.700 0.127 0.000 2.572 49 N HA 0.136 4.876 4.740 -0.000 0.000 0.287 49 N C -2.031 173.571 175.510 0.152 0.000 1.136 49 N CA -0.411 52.703 53.050 0.108 0.000 0.900 49 N CB 0.628 39.140 38.487 0.043 0.000 1.484 49 N HN 0.158 nan 8.380 nan 0.000 0.526 50 H N 0.965 120.089 119.070 0.089 0.000 6.320 50 H HA 0.142 4.698 4.556 -0.000 0.000 0.894 50 H C -1.405 173.975 175.328 0.087 0.000 1.982 50 H CA 0.013 56.110 56.048 0.082 0.000 1.398 50 H CB -0.295 29.522 29.762 0.092 0.000 4.707 50 H HN 0.473 nan 8.280 nan 0.000 0.695 51 S N 1.166 116.994 115.700 0.212 0.000 4.226 51 S HA 0.395 4.865 4.470 -0.000 0.000 0.268 51 S C -1.538 173.120 174.600 0.096 0.000 1.036 51 S CA -0.417 57.881 58.200 0.163 0.000 1.278 51 S CB 0.567 63.902 63.200 0.226 0.000 1.727 51 S HN 0.210 nan 8.310 nan 0.000 0.608 52 Y N 1.572 121.970 120.300 0.164 0.000 2.453 52 Y HA 0.634 5.184 4.550 -0.000 0.000 0.326 52 Y C 0.256 176.274 175.900 0.197 0.000 1.186 52 Y CA 0.048 58.208 58.100 0.101 0.000 1.200 52 Y CB 1.313 39.783 38.460 0.017 0.000 1.247 52 Y HN 0.825 nan 8.280 nan 0.000 0.482 53 H N -2.246 116.975 119.070 0.253 0.000 2.895 53 H HA 0.706 5.262 4.556 -0.000 0.000 0.373 53 H C -1.618 173.809 175.328 0.164 0.000 1.174 53 H CA -1.353 54.818 56.048 0.204 0.000 1.144 53 H CB 0.486 30.320 29.762 0.120 0.000 1.793 53 H HN 0.337 nan 8.280 nan 0.000 0.551 54 V N 1.586 121.653 119.914 0.256 0.000 2.555 54 V HA 0.065 4.185 4.120 -0.000 0.000 0.286 54 V C 0.367 176.573 176.094 0.186 0.000 1.044 54 V CA -0.099 62.292 62.300 0.152 0.000 1.026 54 V CB 0.730 32.657 31.823 0.174 0.000 0.981 54 V HN 0.840 nan 8.190 nan 0.000 0.480 55 E N 3.865 124.118 120.200 0.088 0.000 2.046 55 E HA 0.539 4.889 4.350 -0.000 0.000 0.279 55 E C 0.449 177.091 176.600 0.070 0.000 0.989 55 E CA 0.929 57.389 56.400 0.101 0.000 0.798 55 E CB 0.487 30.209 29.700 0.036 0.000 1.086 55 E HN 1.005 nan 8.360 nan 0.000 0.399 56 G N 4.140 112.985 108.800 0.075 0.000 2.512 56 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.240 56 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.240 56 G C -0.464 174.463 174.900 0.044 0.000 1.246 56 G CA -0.313 44.816 45.100 0.049 0.000 0.919 56 G HN 0.592 nan 8.290 nan 0.000 0.577 57 N N 0.132 118.852 118.700 0.032 0.000 2.477 57 N HA 0.649 5.389 4.740 -0.000 0.000 0.284 57 N C 0.633 176.162 175.510 0.032 0.000 1.182 57 N CA -0.607 52.457 53.050 0.024 0.000 0.949 57 N CB 0.828 39.325 38.487 0.016 0.000 1.204 57 N HN 0.646 nan 8.380 nan 0.000 0.526 58 L N 0.100 121.333 121.223 0.017 0.000 2.453 58 L HA 0.388 4.728 4.340 -0.000 0.000 0.261 58 L C 0.037 176.945 176.870 0.064 0.000 1.179 58 L CA -0.739 54.129 54.840 0.045 0.000 0.813 58 L CB 0.323 42.362 42.059 -0.034 0.000 1.110 58 L HN 0.017 nan 8.230 nan 0.000 0.466 59 V N 1.649 121.637 119.914 0.122 0.000 2.378 59 V HA 0.206 4.325 4.120 -0.000 0.000 0.288 59 V C 0.136 176.330 176.094 0.167 0.000 1.016 59 V CA -0.804 61.562 62.300 0.111 0.000 0.840 59 V CB 1.253 33.128 31.823 0.086 0.000 0.994 59 V HN 0.666 nan 8.190 nan 0.000 0.431 60 N N 3.436 122.219 118.700 0.139 0.000 2.454 60 N HA 0.175 4.915 4.740 -0.000 0.000 0.260 60 N C 0.291 175.889 175.510 0.146 0.000 1.218 60 N CA 0.316 53.468 53.050 0.169 0.000 0.904 60 N CB 1.437 39.997 38.487 0.120 0.000 1.065 60 N HN 0.872 nan 8.380 nan 0.000 0.462 61 T N -1.360 113.297 114.554 0.171 0.000 2.910 61 T HA 0.305 4.655 4.350 -0.000 0.000 0.287 61 T C 0.993 175.781 174.700 0.146 0.000 1.050 61 T CA -0.849 61.328 62.100 0.129 0.000 1.011 61 T CB 1.188 70.121 68.868 0.109 0.000 1.195 61 T HN 0.360 nan 8.240 nan 0.000 0.540 62 N N 0.019 118.791 118.700 0.121 0.000 2.149 62 N HA -0.071 4.669 4.740 -0.000 0.000 0.188 62 N C 2.018 177.650 175.510 0.204 0.000 1.019 62 N CA 1.071 54.199 53.050 0.129 0.000 0.857 62 N CB -0.195 38.341 38.487 0.083 0.000 0.997 62 N HN 0.738 nan 8.380 nan 0.000 0.426 63 A N -0.269 122.694 122.820 0.238 0.000 2.021 63 A HA 0.359 4.679 4.320 -0.000 0.000 0.216 63 A C 1.398 179.180 177.584 0.331 0.000 1.163 63 A CA 1.436 53.697 52.037 0.373 0.000 0.676 63 A CB 0.031 19.275 19.000 0.406 0.000 0.818 63 A HN 0.435 nan 8.150 nan 0.000 0.453 64 G N -1.698 107.269 108.800 0.278 0.000 2.483 64 G HA2 0.397 4.357 3.960 -0.000 0.000 0.090 64 G HA3 0.397 4.357 3.960 -0.000 0.000 0.090 64 G C -0.431 174.689 174.900 0.366 0.000 0.984 64 G CA 0.092 45.396 45.100 0.340 0.000 1.325 64 G HN 1.032 nan 8.290 nan 0.000 0.561 65 F N 0.122 120.131 119.950 0.098 0.000 2.713 65 F HA 0.797 5.323 4.527 -0.000 0.000 0.311 65 F C -0.486 175.329 175.800 0.025 0.000 1.141 65 F CA -0.410 57.636 58.000 0.076 0.000 0.939 65 F CB 1.492 40.548 39.000 0.094 0.000 1.325 65 F HN 0.659 nan 8.300 nan 0.000 0.453 66 T N -0.226 114.471 114.554 0.239 0.000 2.908 66 T HA 0.935 5.284 4.350 -0.000 0.000 0.290 66 T C -0.858 173.982 174.700 0.232 0.000 1.034 66 T CA -0.444 61.727 62.100 0.119 0.000 1.010 66 T CB 1.649 70.536 68.868 0.031 0.000 1.068 66 T HN 1.538 nan 8.240 nan 0.000 0.481 67 A N 1.844 124.750 122.820 0.144 0.000 2.475 67 A HA 0.828 5.147 4.320 -0.000 0.000 0.301 67 A C -0.584 176.992 177.584 -0.015 0.000 1.059 67 A CA -1.159 50.939 52.037 0.102 0.000 0.710 67 A CB 1.436 20.531 19.000 0.159 0.000 1.288 67 A HN 0.831 nan 8.150 nan 0.000 0.408 68 R N 0.783 121.269 120.500 -0.024 0.000 2.255 68 R HA 0.618 4.958 4.340 -0.000 0.000 0.326 68 R C -1.069 175.169 176.300 -0.103 0.000 0.986 68 R CA -0.098 55.959 56.100 -0.071 0.000 0.847 68 R CB 1.082 31.358 30.300 -0.041 0.000 1.111 68 R HN 0.637 nan 8.270 nan 0.000 0.452 69 L N 2.705 123.824 121.223 -0.175 0.000 2.329 69 L HA 0.576 4.916 4.340 -0.000 0.000 0.279 69 L C -0.236 176.578 176.870 -0.094 0.000 1.014 69 L CA -0.825 53.901 54.840 -0.189 0.000 0.814 69 L CB 1.780 43.606 42.059 -0.388 0.000 1.257 69 L HN 0.454 nan 8.230 nan 0.000 0.424 70 K N 1.867 122.149 120.400 -0.197 0.000 2.422 70 K HA 0.384 4.704 4.320 -0.000 0.000 0.251 70 K C -1.070 175.288 176.600 -0.403 0.000 0.933 70 K CA -0.746 55.388 56.287 -0.254 0.000 0.798 70 K CB 2.007 34.327 32.500 -0.300 0.000 1.238 70 K HN 0.428 nan 8.250 nan 0.000 0.428 71 N N 3.133 121.609 118.700 -0.373 0.000 2.456 71 N HA 0.307 5.047 4.740 -0.000 0.000 0.288 71 N C -0.997 174.418 175.510 -0.159 0.000 1.059 71 N CA -0.469 52.255 53.050 -0.542 0.000 0.946 71 N CB 0.973 39.029 38.487 -0.719 0.000 1.150 71 N HN 0.615 nan 8.380 nan 0.000 0.479 78 F N 2.545 122.442 119.950 -0.088 0.000 2.883 78 F HA 0.682 5.209 4.527 -0.000 0.000 0.312 78 F C 0.980 176.817 175.800 0.062 0.000 1.246 78 F CA 0.433 58.412 58.000 -0.035 0.000 1.238 78 F CB 0.798 39.711 39.000 -0.144 0.000 1.195 78 F HN 0.557 nan 8.300 nan 0.000 0.526 79 G N 0.049 108.944 108.800 0.159 0.000 2.631 79 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.504 79 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.504 79 G C -0.463 174.507 174.900 0.116 0.000 1.306 79 G CA -0.832 44.348 45.100 0.134 0.000 0.897 79 G HN 0.287 nan 8.290 nan 0.000 0.520 80 S N 0.418 116.183 115.700 0.107 0.000 2.546 80 S HA 0.250 4.720 4.470 -0.000 0.000 0.290 80 S C 0.881 175.569 174.600 0.147 0.000 1.262 80 S CA -0.020 58.241 58.200 0.101 0.000 1.083 80 S CB -0.395 62.859 63.200 0.090 0.000 0.859 80 S HN 0.697 nan 8.310 nan 0.000 0.495 81 N N 3.096 121.874 118.700 0.130 0.000 2.508 81 N HA 0.140 4.880 4.740 -0.000 0.000 0.264 81 N C -0.634 174.985 175.510 0.181 0.000 1.216 81 N CA -0.216 52.940 53.050 0.176 0.000 0.943 81 N CB 0.854 39.406 38.487 0.107 0.000 1.113 81 N HN 0.371 nan 8.380 nan 0.000 0.447 82 V N 1.391 121.465 119.914 0.268 0.000 2.385 82 V HA 0.189 4.308 4.120 -0.000 0.000 0.269 82 V C 1.511 177.685 176.094 0.133 0.000 1.043 82 V CA 0.101 62.501 62.300 0.167 0.000 0.906 82 V CB 0.452 32.338 31.823 0.106 0.000 0.995 82 V HN 0.840 nan 8.190 nan 0.000 0.467 83 D N 4.269 124.701 120.400 0.054 0.000 2.123 83 D HA -0.073 4.567 4.640 -0.000 0.000 0.200 83 D C 0.674 176.992 176.300 0.029 0.000 0.976 83 D CA 0.994 55.005 54.000 0.018 0.000 0.831 83 D CB -0.068 40.730 40.800 -0.003 0.000 0.974 83 D HN 0.654 nan 8.370 nan 0.000 0.469 84 N N -1.078 117.614 118.700 -0.013 0.000 2.479 84 N HA 0.507 5.247 4.740 -0.000 0.000 0.261 84 N C -1.520 173.893 175.510 -0.161 0.000 0.979 84 N CA -0.323 52.692 53.050 -0.057 0.000 0.930 84 N CB 2.622 41.073 38.487 -0.061 0.000 1.172 84 N HN 0.194 nan 8.380 nan 0.000 0.499 85 V N 2.493 122.273 119.914 -0.223 0.000 2.459 85 V HA 0.412 4.531 4.120 -0.000 0.000 0.295 85 V C -0.522 175.368 176.094 -0.340 0.000 1.029 85 V CA -0.873 61.157 62.300 -0.449 0.000 0.874 85 V CB 1.650 33.028 31.823 -0.742 0.000 0.985 85 V HN 0.472 nan 8.190 nan 0.000 0.438 86 L N 6.118 127.160 121.223 -0.302 0.000 2.264 86 L HA 0.606 4.945 4.340 -0.000 0.000 0.289 86 L C -0.678 176.062 176.870 -0.215 0.000 1.044 86 L CA -0.136 54.578 54.840 -0.210 0.000 0.807 86 L CB 1.268 43.237 42.059 -0.150 0.000 1.192 86 L HN 0.635 nan 8.230 nan 0.000 0.425 87 L N 5.222 126.329 121.223 -0.194 0.000 2.264 87 L HA 0.589 4.928 4.340 -0.000 0.000 0.289 87 L C -0.500 176.279 176.870 -0.152 0.000 1.044 87 L CA 0.496 55.244 54.840 -0.154 0.000 0.807 87 L CB 1.255 43.241 42.059 -0.121 0.000 1.192 87 L HN 0.729 nan 8.230 nan 0.000 0.425 88 T N 5.357 119.780 114.554 -0.218 0.000 2.791 88 T HA 0.797 5.147 4.350 -0.000 0.000 0.288 88 T C -0.394 174.019 174.700 -0.477 0.000 0.999 88 T CA -0.321 61.602 62.100 -0.295 0.000 0.952 88 T CB 1.237 69.960 68.868 -0.242 0.000 0.938 88 T HN 0.815 nan 8.240 nan 0.000 0.444 89 A N 3.591 126.012 122.820 -0.665 0.000 2.342 89 A HA 0.785 5.105 4.320 -0.000 0.000 0.323 89 A C -0.472 176.715 177.584 -0.662 0.000 1.125 89 A CA -0.830 50.699 52.037 -0.847 0.000 0.785 89 A CB 1.012 19.260 19.000 -1.252 0.000 1.221 89 A HN 0.795 nan 8.150 nan 0.000 0.463 90 E N 1.050 120.863 120.200 -0.646 0.000 2.241 90 E HA 0.301 4.651 4.350 -0.000 0.000 0.263 90 E C -1.868 174.535 176.600 -0.328 0.000 0.882 90 E CA -0.381 55.781 56.400 -0.396 0.000 0.769 90 E CB 1.678 31.166 29.700 -0.353 0.000 1.185 90 E HN 0.616 nan 8.360 nan 0.000 0.415 91 Y N 2.829 123.176 120.300 0.079 0.000 2.636 91 Y HA 0.038 4.588 4.550 -0.000 0.000 0.334 91 Y C 1.517 177.409 175.900 -0.013 0.000 1.286 91 Y CA -0.011 58.228 58.100 0.232 0.000 1.688 91 Y CB -0.097 38.503 38.460 0.235 0.000 1.662 91 Y HN 0.531 nan 8.280 nan 0.000 0.465 92 Q N 0.760 120.466 119.800 -0.157 0.000 2.061 92 Q HA -0.110 4.230 4.340 -0.000 0.000 0.204 92 Q C 0.818 176.846 176.000 0.047 0.000 0.984 92 Q CA 1.754 57.277 55.803 -0.467 0.000 0.846 92 Q CB 0.080 28.554 28.738 -0.441 0.000 0.902 92 Q HN 0.654 nan 8.270 nan 0.000 0.421 93 T N -5.230 109.437 114.554 0.188 0.000 2.812 93 T HA 0.285 4.635 4.350 -0.000 0.000 0.294 93 T C 0.592 175.462 174.700 0.284 0.000 1.159 93 T CA -0.443 61.790 62.100 0.221 0.000 1.008 93 T CB 1.467 70.450 68.868 0.191 0.000 1.289 93 T HN -0.097 nan 8.240 nan 0.000 0.514 94 S N 0.737 116.559 115.700 0.202 0.000 2.420 94 S HA -0.082 4.388 4.470 -0.000 0.000 0.237 94 S C 1.287 176.078 174.600 0.319 0.000 1.023 94 S CA 1.169 59.471 58.200 0.170 0.000 0.991 94 S CB -0.468 62.790 63.200 0.097 0.000 0.792 94 S HN 0.744 nan 8.310 nan 0.000 0.488 95 N N 0.123 119.032 118.700 0.348 0.000 2.170 95 N HA 0.143 4.883 4.740 -0.000 0.000 0.222 95 N C 0.070 175.774 175.510 0.324 0.000 1.218 95 N CA -0.010 53.253 53.050 0.356 0.000 0.889 95 N CB 0.924 39.560 38.487 0.248 0.000 1.083 95 N HN 0.255 nan 8.380 nan 0.000 0.520 96 R N 0.794 121.481 120.500 0.313 0.000 2.502 96 R HA 0.276 4.616 4.340 -0.000 0.000 0.300 96 R C -1.879 174.462 176.300 0.068 0.000 0.984 96 R CA -0.480 55.702 56.100 0.137 0.000 0.882 96 R CB 1.049 31.474 30.300 0.208 0.000 1.180 96 R HN -0.186 nan 8.270 nan 0.000 0.444 97 F N 3.720 123.431 119.950 -0.398 0.000 2.480 97 F HA 0.448 4.974 4.527 -0.000 0.000 0.329 97 F C -1.088 174.554 175.800 -0.264 0.000 1.091 97 F CA -0.779 56.979 58.000 -0.403 0.000 0.972 97 F CB 1.327 39.873 39.000 -0.757 0.000 1.150 97 F HN 0.670 nan 8.300 nan 0.000 0.467 98 H N 6.288 124.685 119.070 -1.121 0.000 2.589 98 H HA 0.543 5.098 4.556 -0.000 0.000 0.351 98 H C -1.778 172.752 175.328 -1.331 0.000 1.074 98 H CA -1.201 54.143 56.048 -1.173 0.000 1.203 98 H CB 1.129 30.357 29.762 -0.890 0.000 1.558 98 H HN 0.508 nan 8.280 nan 0.000 0.522 99 F N 2.053 121.139 119.950 -1.440 0.000 2.578 99 F HA 0.660 5.187 4.527 -0.000 0.000 0.311 99 F C -1.468 173.829 175.800 -0.838 0.000 1.094 99 F CA -0.986 56.325 58.000 -1.149 0.000 0.923 99 F CB 1.582 40.086 39.000 -0.827 0.000 1.230 99 F HN 0.306 nan 8.300 nan 0.000 0.450 100 K N 4.015 124.051 120.400 -0.607 0.000 2.259 100 K HA 0.682 5.002 4.320 -0.000 0.000 0.252 100 K C -1.489 175.028 176.600 -0.139 0.000 0.936 100 K CA -0.877 55.165 56.287 -0.408 0.000 0.810 100 K CB 2.705 34.989 32.500 -0.361 0.000 1.143 100 K HN 0.711 nan 8.250 nan 0.000 0.427 101 L N 2.424 123.628 121.223 -0.032 0.000 2.325 101 L HA 0.401 4.740 4.340 -0.000 0.000 0.281 101 L C 0.060 177.004 176.870 0.123 0.000 1.004 101 L CA -0.496 54.367 54.840 0.038 0.000 0.823 101 L CB 1.762 43.922 42.059 0.170 0.000 1.236 101 L HN 0.796 nan 8.230 nan 0.000 0.415 102 T N -2.430 112.080 114.554 -0.073 0.000 2.888 102 T HA 0.357 4.707 4.350 -0.000 0.000 0.288 102 T C -0.732 173.766 174.700 -0.337 0.000 1.063 102 T CA -0.899 61.170 62.100 -0.051 0.000 1.010 102 T CB 2.124 70.957 68.868 -0.058 0.000 1.214 102 T HN 0.321 nan 8.240 nan 0.000 0.533 103 D N 0.451 120.738 120.400 -0.189 0.000 2.325 103 D HA 0.110 4.750 4.640 -0.000 0.000 0.251 103 D C 1.051 177.263 176.300 -0.148 0.000 1.196 103 D CA 0.025 53.886 54.000 -0.232 0.000 0.866 103 D CB 1.457 42.234 40.800 -0.038 0.000 1.101 103 D HN 0.664 nan 8.370 nan 0.000 0.476 104 Q N 1.925 121.622 119.800 -0.172 0.000 2.181 104 Q HA -0.173 4.167 4.340 -0.000 0.000 0.205 104 Q C 1.453 177.413 176.000 -0.067 0.000 0.980 104 Q CA 1.841 57.576 55.803 -0.114 0.000 0.862 104 Q CB 0.316 28.987 28.738 -0.112 0.000 0.905 104 Q HN 0.678 nan 8.270 nan 0.000 0.429 105 T N -4.071 110.452 114.554 -0.053 0.000 2.990 105 T HA 0.145 4.495 4.350 -0.000 0.000 0.249 105 T C 0.160 174.855 174.700 -0.010 0.000 1.039 105 T CA -0.148 61.937 62.100 -0.026 0.000 1.036 105 T CB 0.202 69.059 68.868 -0.019 0.000 0.994 105 T HN 0.050 nan 8.240 nan 0.000 0.489 106 N N 1.315 120.013 118.700 -0.003 0.000 2.321 106 N HA 0.400 5.140 4.740 -0.000 0.000 0.299 106 N C -1.364 174.161 175.510 0.024 0.000 1.048 106 N CA -0.712 52.349 53.050 0.019 0.000 0.836 106 N CB 1.300 39.812 38.487 0.041 0.000 1.269 106 N HN 0.244 nan 8.380 nan 0.000 0.486 107 N N 1.360 120.075 118.700 0.026 0.000 2.497 107 N HA 0.183 4.923 4.740 -0.000 0.000 0.268 107 N C -0.482 175.064 175.510 0.060 0.000 1.171 107 N CA 0.107 53.174 53.050 0.029 0.000 0.948 107 N CB 0.921 39.418 38.487 0.016 0.000 1.069 107 N HN 0.265 nan 8.380 nan 0.000 0.460 108 R N 1.032 121.573 120.500 0.069 0.000 2.902 108 R HA 0.313 4.652 4.340 -0.000 0.000 0.258 108 R C -0.688 175.677 176.300 0.109 0.000 1.071 108 R CA -0.884 55.286 56.100 0.117 0.000 1.024 108 R CB 1.195 31.588 30.300 0.156 0.000 1.184 108 R HN 0.426 nan 8.270 nan 0.000 0.492 109 F N 1.861 121.830 119.950 0.031 0.000 2.578 109 F HA 0.027 4.554 4.527 -0.000 0.000 0.376 109 F C -0.300 175.488 175.800 -0.021 0.000 1.085 109 F CA 0.614 58.620 58.000 0.010 0.000 1.260 109 F CB 0.474 39.494 39.000 0.034 0.000 1.095 109 F HN 0.344 nan 8.300 nan 0.000 0.573 110 E N 4.338 123.978 120.200 -0.932 0.000 2.266 110 E HA 0.359 4.708 4.350 -0.000 0.000 0.268 110 E C -1.132 174.753 176.600 -1.193 0.000 0.879 110 E CA -1.278 54.635 56.400 -0.811 0.000 0.762 110 E CB 2.161 31.627 29.700 -0.390 0.000 1.199 110 E HN 0.365 nan 8.360 nan 0.000 0.422 111 V N 3.987 123.454 119.914 -0.745 0.000 2.539 111 V HA 0.003 4.123 4.120 -0.000 0.000 0.300 111 V C -1.672 174.152 176.094 -0.450 0.000 1.019 111 V CA -0.586 61.418 62.300 -0.493 0.000 1.160 111 V CB -0.387 31.362 31.823 -0.123 0.000 0.901 111 V HN 0.635 nan 8.190 nan 0.000 0.481 112 P HA 0.134 nan 4.420 nan 0.000 0.220 112 P C 0.272 177.238 177.300 -0.556 0.000 1.806 112 P CA -0.097 62.602 63.100 -0.669 0.000 0.976 112 P CB -0.086 30.923 31.700 -1.152 0.000 1.952 116 V N 4.578 124.674 119.914 0.304 0.000 2.540 116 V HA 0.053 4.173 4.120 -0.000 0.000 0.297 116 V C 0.330 176.429 176.094 0.009 0.000 1.024 116 V CA 0.960 63.284 62.300 0.039 0.000 1.105 116 V CB 1.091 32.880 31.823 -0.058 0.000 0.938 116 V HN 0.330 nan 8.190 nan 0.000 0.482 117 Q N 2.350 122.126 119.800 -0.040 0.000 2.297 117 Q HA 0.506 4.846 4.340 -0.000 0.000 0.269 117 Q C 0.132 176.144 176.000 0.019 0.000 1.051 117 Q CA -0.630 55.161 55.803 -0.020 0.000 0.869 117 Q CB 1.924 30.637 28.738 -0.042 0.000 1.346 117 Q HN 0.891 nan 8.270 nan 0.000 0.457 118 S N -0.015 115.700 115.700 0.024 0.000 2.584 118 S HA 0.247 4.717 4.470 -0.000 0.000 0.270 118 S C -0.514 174.159 174.600 0.122 0.000 1.346 118 S CA -0.525 57.713 58.200 0.064 0.000 1.018 118 S CB 0.353 63.573 63.200 0.032 0.000 0.899 118 S HN 0.470 nan 8.310 nan 0.000 0.542 119 F N 2.469 122.422 119.950 0.005 0.000 2.385 119 F HA 0.505 5.031 4.527 -0.000 0.000 0.360 119 F C 0.270 176.080 175.800 0.017 0.000 1.122 119 F CA -0.552 57.459 58.000 0.019 0.000 1.090 119 F CB 1.192 40.221 39.000 0.047 0.000 1.150 119 F HN 0.732 nan 8.300 nan 0.000 0.472 120 S N 4.650 120.042 115.700 -0.514 0.000 2.406 120 S HA 0.839 5.309 4.470 -0.000 0.000 0.224 120 S C -0.378 173.772 174.600 -0.750 0.000 1.426 120 S CA -0.183 57.745 58.200 -0.453 0.000 1.179 120 S CB 0.525 63.594 63.200 -0.218 0.000 1.042 120 S HN 1.056 nan 8.310 nan 0.000 0.479 121 G N 1.907 110.048 108.800 -1.098 0.000 2.682 121 G HA2 0.547 4.507 3.960 -0.000 0.000 0.290 121 G HA3 0.547 4.507 3.960 -0.000 0.000 0.290 121 G C -1.539 173.240 174.900 -0.202 0.000 1.425 121 G CA -0.927 43.713 45.100 -0.767 0.000 0.807 121 G HN 0.471 nan 8.290 nan 0.000 0.482 122 N N 0.000 118.715 118.700 0.025 0.000 2.515 122 N HA 0.561 5.301 4.740 -0.000 0.000 0.279 122 N C 0.617 176.330 175.510 0.337 0.000 1.164 122 N CA 0.124 53.273 53.050 0.165 0.000 0.982 122 N CB 1.545 40.092 38.487 0.099 0.000 1.170 122 N HN 0.818 nan 8.380 nan 0.000 0.474 123 A N 0.765 123.785 122.820 0.334 0.000 2.584 123 A HA 0.337 4.657 4.320 -0.000 0.000 0.239 123 A C 0.611 178.333 177.584 0.230 0.000 1.043 123 A CA -0.054 52.189 52.037 0.343 0.000 0.756 123 A CB -0.570 18.607 19.000 0.293 0.000 0.963 123 A HN 0.736 nan 8.150 nan 0.000 0.511 124 A N 2.358 125.322 122.820 0.241 0.000 2.466 124 A HA 0.535 4.855 4.320 -0.000 0.000 0.238 124 A C 0.969 178.581 177.584 0.048 0.000 1.074 124 A CA 0.287 52.418 52.037 0.158 0.000 0.774 124 A CB -0.168 18.938 19.000 0.176 0.000 1.015 124 A HN 2.233 nan 8.150 nan 0.000 0.498 125 A N 0.925 123.765 122.820 0.033 0.000 2.272 125 A HA 0.564 4.884 4.320 -0.000 0.000 0.275 125 A C 0.938 178.501 177.584 -0.036 0.000 1.096 125 A CA 0.299 52.327 52.037 -0.015 0.000 0.822 125 A CB -0.396 18.606 19.000 0.003 0.000 1.088 125 A HN 2.169 nan 8.150 nan 0.000 0.495 126 S N -1.028 114.635 115.700 -0.063 0.000 3.524 126 S HA -0.129 4.340 4.470 -0.000 0.000 0.377 126 S C 0.023 174.570 174.600 -0.089 0.000 0.949 126 S CA 0.653 58.816 58.200 -0.062 0.000 1.264 126 S CB -2.102 61.085 63.200 -0.022 0.000 0.918 126 S HN 0.600 nan 8.310 nan 0.000 0.517 127 L N 1.111 122.221 121.223 -0.187 0.000 2.456 127 L HA 0.191 4.531 4.340 -0.000 0.000 0.272 127 L C 1.937 178.669 176.870 -0.231 0.000 1.189 127 L CA 0.371 55.018 54.840 -0.322 0.000 0.846 127 L CB 0.298 41.965 42.059 -0.653 0.000 1.111 127 L HN 0.608 nan 8.230 nan 0.000 0.475 128 T N -2.007 112.471 114.554 -0.126 0.000 3.081 128 T HA 0.083 4.433 4.350 -0.000 0.000 0.250 128 T C 0.014 174.745 174.700 0.052 0.000 1.100 128 T CA 0.005 62.114 62.100 0.016 0.000 1.038 128 T CB -0.222 68.723 68.868 0.129 0.000 0.962 128 T HN 0.503 nan 8.240 nan 0.000 0.516 129 Y N -0.470 119.828 120.300 -0.003 0.000 2.570 129 Y HA 0.784 5.334 4.550 -0.000 0.000 0.345 129 Y C -0.591 175.270 175.900 -0.065 0.000 1.014 129 Y CA -1.763 56.314 58.100 -0.038 0.000 1.063 129 Y CB 1.446 39.884 38.460 -0.037 0.000 1.272 129 Y HN 0.039 nan 8.280 nan 0.000 0.477 130 Q N 1.627 121.452 119.800 0.041 0.000 2.372 130 Q HA 0.738 5.078 4.340 -0.000 0.000 0.273 130 Q C -2.131 173.868 176.000 -0.002 0.000 1.078 130 Q CA -1.076 54.712 55.803 -0.026 0.000 0.806 130 Q CB 2.854 31.553 28.738 -0.064 0.000 1.332 130 Q HN 0.799 nan 8.270 nan 0.000 0.435 131 V N 3.782 123.691 119.914 -0.008 0.000 2.555 131 V HA 0.443 4.562 4.120 -0.000 0.000 0.302 131 V C -0.741 175.313 176.094 -0.066 0.000 1.038 131 V CA -0.639 61.600 62.300 -0.101 0.000 0.887 131 V CB 1.711 33.403 31.823 -0.219 0.000 0.991 131 V HN 0.791 nan 8.190 nan 0.000 0.434 132 E N 5.231 125.374 120.200 -0.095 0.000 2.224 132 E HA 0.566 4.916 4.350 -0.000 0.000 0.265 132 E C -0.931 175.601 176.600 -0.114 0.000 0.878 132 E CA -0.653 55.683 56.400 -0.106 0.000 0.759 132 E CB 3.120 32.764 29.700 -0.094 0.000 1.164 132 E HN 0.702 nan 8.360 nan 0.000 0.414 133 I N -0.398 120.098 120.570 -0.123 0.000 2.460 133 I HA 0.538 4.708 4.170 -0.000 0.000 0.298 133 I C -0.847 175.223 176.117 -0.079 0.000 0.989 133 I CA -0.271 60.974 61.300 -0.091 0.000 1.173 133 I CB 1.811 39.831 38.000 0.033 0.000 1.338 133 I HN 0.314 nan 8.210 nan 0.000 0.456 134 S N 6.004 121.646 115.700 -0.097 0.000 2.621 134 S HA 0.579 5.049 4.470 -0.000 0.000 0.302 134 S C 0.536 175.164 174.600 0.047 0.000 1.093 134 S CA -0.885 57.289 58.200 -0.044 0.000 1.017 134 S CB 2.028 65.186 63.200 -0.069 0.000 1.077 134 S HN 0.683 nan 8.310 nan 0.000 0.517 135 R N 0.255 120.802 120.500 0.079 0.000 2.257 135 R HA 0.194 4.533 4.340 -0.000 0.000 0.195 135 R C -0.457 175.957 176.300 0.190 0.000 0.921 135 R CA 0.331 56.525 56.100 0.156 0.000 1.069 135 R CB 0.246 30.613 30.300 0.112 0.000 1.115 135 R HN 0.531 nan 8.270 nan 0.000 0.571 136 Q N 1.658 121.531 119.800 0.123 0.000 3.090 136 Q HA 0.351 4.691 4.340 -0.000 0.000 0.241 136 Q C -2.373 173.676 176.000 0.082 0.000 0.958 136 Q CA -1.412 54.458 55.803 0.111 0.000 0.715 136 Q CB 2.081 30.849 28.738 0.050 0.000 1.298 136 Q HN 0.147 nan 8.270 nan 0.000 0.468 137 P HA 0.330 nan 4.420 nan 0.000 0.281 137 P C -0.362 177.059 177.300 0.201 0.000 1.281 137 P CA -0.720 62.495 63.100 0.191 0.000 0.811 137 P CB 0.853 32.663 31.700 0.183 0.000 1.154 138 F N 1.471 121.507 119.950 0.142 0.000 2.608 138 F HA 0.262 4.789 4.527 -0.000 0.000 0.380 138 F C 0.195 176.041 175.800 0.076 0.000 1.083 138 F CA 0.723 58.786 58.000 0.105 0.000 1.266 138 F CB 0.303 39.372 39.000 0.116 0.000 1.076 138 F HN 0.433 nan 8.300 nan 0.000 0.574 139 S N 6.742 121.943 115.700 -0.831 0.000 2.579 139 S HA 0.777 5.246 4.470 -0.000 0.000 0.272 139 S C -1.021 172.998 174.600 -0.970 0.000 1.141 139 S CA -1.050 56.589 58.200 -0.934 0.000 0.843 139 S CB 1.639 64.621 63.200 -0.365 0.000 1.122 139 S HN 0.705 nan 8.310 nan 0.000 0.468 140 I N 0.202 120.356 120.570 -0.693 0.000 2.509 140 I HA 0.674 4.844 4.170 -0.000 0.000 0.293 140 I C -0.584 175.443 176.117 -0.149 0.000 1.020 140 I CA -0.825 60.246 61.300 -0.381 0.000 1.088 140 I CB 1.890 39.631 38.000 -0.431 0.000 1.267 140 I HN 0.751 nan 8.210 nan 0.000 0.430 141 K N 4.861 125.188 120.400 -0.122 0.000 2.422 141 K HA 0.731 5.051 4.320 -0.000 0.000 0.251 141 K C -1.948 174.600 176.600 -0.087 0.000 0.933 141 K CA -0.591 55.664 56.287 -0.054 0.000 0.798 141 K CB 2.918 35.366 32.500 -0.088 0.000 1.238 141 K HN 0.567 nan 8.250 nan 0.000 0.428 142 V N 3.144 123.028 119.914 -0.050 0.000 2.444 142 V HA 0.370 4.490 4.120 -0.000 0.000 0.294 142 V C -0.272 175.761 176.094 -0.102 0.000 1.022 142 V CA -0.704 61.525 62.300 -0.119 0.000 0.850 142 V CB 1.357 33.082 31.823 -0.163 0.000 0.992 142 V HN 0.974 nan 8.190 nan 0.000 0.426 143 T N 1.865 116.379 114.554 -0.068 0.000 2.912 143 T HA 0.608 4.958 4.350 -0.000 0.000 0.288 143 T C -0.281 174.407 174.700 -0.019 0.000 1.030 143 T CA -0.872 61.189 62.100 -0.065 0.000 1.020 143 T CB 1.830 70.665 68.868 -0.055 0.000 1.056 143 T HN 0.606 nan 8.240 nan 0.000 0.480 144 R N 1.441 121.924 120.500 -0.028 0.000 2.347 144 R HA 0.260 4.600 4.340 -0.000 0.000 0.304 144 R C 1.452 177.755 176.300 0.005 0.000 1.072 144 R CA -0.483 55.626 56.100 0.014 0.000 0.980 144 R CB 0.404 30.709 30.300 0.010 0.000 0.986 144 R HN 0.730 nan 8.270 nan 0.000 0.448 145 R N 1.193 121.697 120.500 0.008 0.000 2.092 145 R HA -0.127 4.213 4.340 -0.000 0.000 0.231 145 R C 2.134 178.427 176.300 -0.012 0.000 1.119 145 R CA 1.975 58.063 56.100 -0.019 0.000 0.970 145 R CB -0.070 30.202 30.300 -0.046 0.000 0.864 145 R HN 0.778 nan 8.270 nan 0.000 0.440 146 S N 1.536 117.237 115.700 0.002 0.000 2.382 146 S HA -0.133 4.337 4.470 -0.000 0.000 0.228 146 S C 1.243 175.848 174.600 0.008 0.000 1.027 146 S CA 1.516 59.719 58.200 0.006 0.000 0.991 146 S CB -0.183 63.027 63.200 0.017 0.000 0.823 146 S HN 0.459 nan 8.310 nan 0.000 0.469 147 N N 0.149 118.853 118.700 0.008 0.000 2.184 147 N HA 0.146 4.886 4.740 -0.000 0.000 0.234 147 N C -0.286 175.223 175.510 -0.001 0.000 1.282 147 N CA 0.045 53.100 53.050 0.008 0.000 0.877 147 N CB -1.456 37.042 38.487 0.019 0.000 1.184 147 N HN 0.564 nan 8.380 nan 0.000 0.510 148 N N -0.109 118.585 118.700 -0.010 0.000 2.693 148 N HA -0.278 4.462 4.740 -0.000 0.000 0.249 148 N C -0.716 174.778 175.510 -0.026 0.000 1.119 148 N CA 0.339 53.377 53.050 -0.021 0.000 0.717 148 N CB -0.657 37.817 38.487 -0.022 0.000 1.071 148 N HN 0.348 nan 8.380 nan 0.000 0.555 149 R N 1.503 121.990 120.500 -0.023 0.000 2.421 149 R HA 0.192 4.532 4.340 -0.000 0.000 0.305 149 R C 0.099 176.358 176.300 -0.068 0.000 1.039 149 R CA -0.232 55.849 56.100 -0.031 0.000 1.003 149 R CB 0.560 30.851 30.300 -0.016 0.000 0.959 149 R HN 0.126 nan 8.270 nan 0.000 0.427 150 V N 5.223 125.093 119.914 -0.074 0.000 2.470 150 V HA 0.175 4.295 4.120 -0.000 0.000 0.276 150 V C 0.846 176.834 176.094 -0.177 0.000 1.040 150 V CA -0.093 62.143 62.300 -0.107 0.000 1.008 150 V CB 0.529 32.303 31.823 -0.083 0.000 0.990 150 V HN 0.827 nan 8.190 nan 0.000 0.477 151 L N 3.430 124.479 121.223 -0.290 0.000 2.356 151 L HA 0.430 4.770 4.340 -0.000 0.000 0.193 151 L C 0.808 177.396 176.870 -0.470 0.000 1.087 151 L CA 0.470 54.895 54.840 -0.691 0.000 0.817 151 L CB 0.010 41.404 42.059 -1.107 0.000 1.035 151 L HN 0.580 nan 8.230 nan 0.000 0.482 152 F N 1.026 120.755 119.950 -0.369 0.000 2.421 152 F HA 0.380 4.907 4.527 -0.000 0.000 0.337 152 F C -0.641 175.072 175.800 -0.145 0.000 1.105 152 F CA -0.560 57.352 58.000 -0.147 0.000 1.049 152 F CB 1.112 40.055 39.000 -0.095 0.000 1.139 152 F HN -0.104 nan 8.300 nan 0.000 0.479 153 D N 2.619 122.837 120.400 -0.304 0.000 2.319 153 D HA 0.093 4.732 4.640 -0.000 0.000 0.237 153 D C 0.261 176.398 176.300 -0.272 0.000 1.353 153 D CA -0.048 53.842 54.000 -0.185 0.000 0.992 153 D CB 1.220 41.932 40.800 -0.147 0.000 1.368 153 D HN 0.437 nan 8.370 nan 0.000 0.564 154 S N 1.388 116.973 115.700 -0.192 0.000 2.515 154 S HA -0.144 4.326 4.470 -0.000 0.000 0.231 154 S C 1.838 176.366 174.600 -0.119 0.000 0.987 154 S CA 1.069 59.175 58.200 -0.155 0.000 0.936 154 S CB -0.270 62.912 63.200 -0.029 0.000 0.766 154 S HN 0.369 nan 8.310 nan 0.000 0.528 155 S N 1.672 117.296 115.700 -0.127 0.000 2.465 155 S HA -0.050 4.420 4.470 -0.000 0.000 0.241 155 S C 1.624 176.201 174.600 -0.038 0.000 1.000 155 S CA 0.794 58.943 58.200 -0.085 0.000 0.964 155 S CB -0.929 62.220 63.200 -0.085 0.000 0.763 155 S HN 0.663 nan 8.310 nan 0.000 0.512 156 I N 1.237 121.776 120.570 -0.050 0.000 2.567 156 I HA 0.127 4.297 4.170 -0.000 0.000 0.257 156 I C 1.034 177.175 176.117 0.039 0.000 1.184 156 I CA 0.916 62.207 61.300 -0.016 0.000 1.451 156 I CB -0.420 37.550 38.000 -0.050 0.000 1.089 156 I HN 0.507 nan 8.210 nan 0.000 0.441 157 G N -0.096 108.722 108.800 0.031 0.000 2.725 157 G HA2 0.518 4.478 3.960 -0.000 0.000 0.288 157 G HA3 0.518 4.478 3.960 -0.000 0.000 0.288 157 G C -2.944 171.980 174.900 0.041 0.000 1.399 157 G CA -0.868 44.270 45.100 0.064 0.000 0.859 157 G HN -0.109 nan 8.290 nan 0.000 0.479 158 P HA 0.385 nan 4.420 nan 0.000 0.274 158 P C -0.843 176.514 177.300 0.096 0.000 1.256 158 P CA -0.519 62.585 63.100 0.007 0.000 0.795 158 P CB 1.413 32.985 31.700 -0.215 0.000 1.038 159 L N 1.143 122.508 121.223 0.236 0.000 2.275 159 L HA 0.426 4.766 4.340 -0.000 0.000 0.288 159 L C -1.013 176.037 176.870 0.299 0.000 1.046 159 L CA -0.308 54.689 54.840 0.262 0.000 0.805 159 L CB -0.068 42.141 42.059 0.249 0.000 1.193 159 L HN 0.181 nan 8.230 nan 0.000 0.426 160 L N 5.979 127.349 121.223 0.244 0.000 2.362 160 L HA 0.520 4.860 4.340 -0.000 0.000 0.275 160 L C -1.099 175.971 176.870 0.332 0.000 0.998 160 L CA -0.353 54.686 54.840 0.333 0.000 0.820 160 L CB 1.802 44.051 42.059 0.316 0.000 1.270 160 L HN 0.635 nan 8.230 nan 0.000 0.415 161 F N 2.916 123.028 119.950 0.270 0.000 3.050 161 F HA 0.658 5.185 4.527 -0.000 0.000 0.382 161 F C -0.109 175.824 175.800 0.222 0.000 1.246 161 F CA -0.364 57.740 58.000 0.172 0.000 1.217 161 F CB 0.826 39.844 39.000 0.030 0.000 1.795 161 F HN 0.530 nan 8.300 nan 0.000 0.622 162 A N 2.392 125.427 122.820 0.357 0.000 2.288 162 A HA 0.344 4.664 4.320 -0.000 0.000 0.328 162 A C 0.736 178.470 177.584 0.249 0.000 1.123 162 A CA -0.345 51.892 52.037 0.335 0.000 0.861 162 A CB 0.885 20.086 19.000 0.334 0.000 1.272 162 A HN 0.641 nan 8.150 nan 0.000 0.490 163 D N -0.637 119.904 120.400 0.234 0.000 2.190 163 D HA -0.146 4.493 4.640 -0.000 0.000 0.200 163 D C 0.996 177.396 176.300 0.166 0.000 0.992 163 D CA 1.984 56.095 54.000 0.185 0.000 0.854 163 D CB 0.213 41.104 40.800 0.151 0.000 0.936 163 D HN 0.559 nan 8.370 nan 0.000 0.462 164 Q N -1.551 118.378 119.800 0.214 0.000 2.089 164 Q HA 0.217 4.557 4.340 -0.000 0.000 0.248 164 Q C -1.089 175.102 176.000 0.319 0.000 0.828 164 Q CA -0.317 55.639 55.803 0.255 0.000 1.102 164 Q CB 1.166 30.056 28.738 0.254 0.000 1.221 164 Q HN 0.166 nan 8.270 nan 0.000 0.455 165 F N 1.031 121.021 119.950 0.066 0.000 3.055 165 F HA 0.357 4.883 4.527 -0.000 0.000 0.358 165 F C -2.310 173.472 175.800 -0.031 0.000 1.262 165 F CA -0.729 57.275 58.000 0.007 0.000 1.172 165 F CB 1.044 40.079 39.000 0.059 0.000 1.503 165 F HN -0.144 nan 8.300 nan 0.000 0.621 166 L N 5.438 126.423 121.223 -0.397 0.000 2.409 166 L HA 0.634 4.974 4.340 -0.000 0.000 0.272 166 L C -0.852 175.805 176.870 -0.355 0.000 0.980 166 L CA -0.361 54.277 54.840 -0.336 0.000 0.826 166 L CB 2.160 43.940 42.059 -0.466 0.000 1.268 166 L HN 0.623 nan 8.230 nan 0.000 0.407 167 Q N 2.911 122.622 119.800 -0.148 0.000 2.289 167 Q HA 0.768 5.108 4.340 -0.000 0.000 0.270 167 Q C -2.101 173.964 176.000 0.108 0.000 1.038 167 Q CA -0.725 55.041 55.803 -0.062 0.000 0.812 167 Q CB 2.733 31.424 28.738 -0.078 0.000 1.300 167 Q HN 0.564 nan 8.270 nan 0.000 0.427 168 L N 1.704 123.048 121.223 0.202 0.000 2.445 168 L HA 0.644 4.984 4.340 -0.000 0.000 0.262 168 L C -1.404 175.589 176.870 0.206 0.000 0.974 168 L CA -0.042 54.947 54.840 0.248 0.000 0.822 168 L CB 2.683 44.973 42.059 0.385 0.000 1.339 168 L HN 0.684 nan 8.230 nan 0.000 0.409 169 S N 1.100 116.854 115.700 0.089 0.000 2.664 169 S HA 0.841 5.311 4.470 -0.000 0.000 0.304 169 S C -0.764 173.711 174.600 -0.208 0.000 1.099 169 S CA -0.578 57.613 58.200 -0.015 0.000 1.003 169 S CB 1.873 65.063 63.200 -0.017 0.000 1.092 169 S HN 0.704 nan 8.310 nan 0.000 0.525 170 T N 1.020 115.379 114.554 -0.326 0.000 2.916 170 T HA 0.435 4.785 4.350 -0.000 0.000 0.298 170 T C -0.757 173.749 174.700 -0.323 0.000 1.031 170 T CA -0.841 60.916 62.100 -0.572 0.000 0.993 170 T CB 0.641 68.739 68.868 -1.283 0.000 1.045 170 T HN 0.567 nan 8.240 nan 0.000 0.454 171 R N 2.670 123.012 120.500 -0.264 0.000 2.738 171 R HA 0.605 4.944 4.340 -0.000 0.000 0.268 171 R C -0.351 175.875 176.300 -0.124 0.000 1.062 171 R CA -0.498 55.498 56.100 -0.174 0.000 1.158 171 R CB 0.444 30.663 30.300 -0.134 0.000 1.046 171 R HN 0.480 nan 8.270 nan 0.000 0.493 172 L N 1.740 122.919 121.223 -0.074 0.000 2.354 172 L HA 0.357 4.697 4.340 -0.000 0.000 0.269 172 L C -1.583 175.304 176.870 0.028 0.000 1.005 172 L CA -2.028 52.837 54.840 0.041 0.000 0.819 172 L CB 2.583 44.627 42.059 -0.024 0.000 1.311 172 L HN 0.496 nan 8.230 nan 0.000 0.423 173 P HA 0.009 nan 4.420 nan 0.000 0.245 173 P C 0.000 177.320 177.300 0.033 0.000 1.206 173 P CA 0.461 63.595 63.100 0.057 0.000 0.781 173 P CB 0.529 32.282 31.700 0.089 0.000 0.994 174 S N -1.774 113.932 115.700 0.010 0.000 2.672 174 S HA 0.375 4.845 4.470 -0.000 0.000 0.271 174 S C 0.344 174.885 174.600 -0.099 0.000 1.171 174 S CA -0.102 58.073 58.200 -0.041 0.000 0.817 174 S CB 0.762 63.917 63.200 -0.075 0.000 1.150 174 S HN -0.039 nan 8.310 nan 0.000 0.478 175 T N -1.129 113.359 114.554 -0.109 0.000 3.186 175 T HA 0.322 4.672 4.350 -0.000 0.000 0.257 175 T C -0.209 174.352 174.700 -0.231 0.000 1.029 175 T CA -0.443 61.562 62.100 -0.158 0.000 0.916 175 T CB -0.875 67.932 68.868 -0.102 0.000 1.041 175 T HN 0.474 nan 8.240 nan 0.000 0.562 176 N N 2.195 120.733 118.700 -0.270 0.000 3.034 176 N HA 0.339 5.079 4.740 -0.000 0.000 0.265 176 N C -1.082 174.051 175.510 -0.627 0.000 1.166 176 N CA -0.066 52.749 53.050 -0.392 0.000 1.081 176 N CB 1.190 39.467 38.487 -0.350 0.000 1.378 176 N HN 0.261 nan 8.380 nan 0.000 0.520 177 V N 2.318 121.697 119.914 -0.892 0.000 2.540 177 V HA 0.484 4.604 4.120 -0.000 0.000 0.302 177 V C -0.947 174.576 176.094 -0.952 0.000 1.035 177 V CA -0.677 61.196 62.300 -0.712 0.000 0.873 177 V CB 1.041 32.552 31.823 -0.520 0.000 0.992 177 V HN 0.291 nan 8.190 nan 0.000 0.428 178 Y N 2.112 122.317 120.300 -0.158 0.000 2.470 178 Y HA 0.866 5.416 4.550 -0.000 0.000 0.341 178 Y C 0.566 176.402 175.900 -0.107 0.000 1.021 178 Y CA 0.077 57.999 58.100 -0.296 0.000 1.025 178 Y CB 2.400 40.578 38.460 -0.470 0.000 1.266 178 Y HN 1.009 nan 8.280 nan 0.000 0.448 179 G N 1.108 109.982 108.800 0.123 0.000 2.280 179 G HA2 0.278 4.238 3.960 -0.000 0.000 0.277 179 G HA3 0.278 4.238 3.960 -0.000 0.000 0.277 179 G C -1.600 173.541 174.900 0.400 0.000 1.288 179 G CA -0.623 44.648 45.100 0.285 0.000 1.075 179 G HN 1.033 nan 8.290 nan 0.000 0.480 180 L N -1.828 119.671 121.223 0.460 0.000 0.586 180 L HA 0.247 4.587 4.340 -0.000 0.000 0.356 180 L C 0.663 177.779 176.870 0.409 0.000 1.005 180 L CA 0.668 55.688 54.840 0.299 0.000 1.223 180 L CB -1.125 40.980 42.059 0.076 0.000 0.023 180 L HN 2.653 nan 8.230 nan 0.000 0.092 181 G N 1.152 109.963 108.800 0.019 0.000 2.441 181 G HA2 0.455 4.415 3.960 -0.000 0.000 0.294 181 G HA3 0.455 4.415 3.960 -0.000 0.000 0.294 181 G C -1.982 172.623 174.900 -0.493 0.000 1.393 181 G CA -0.328 44.577 45.100 -0.325 0.000 0.796 181 G HN 0.779 nan 8.290 nan 0.000 0.494 182 E N 0.184 120.124 120.200 -0.435 0.000 2.200 182 E HA 0.552 4.901 4.350 -0.000 0.000 0.283 182 E C -0.641 175.642 176.600 -0.529 0.000 1.015 182 E CA -0.598 55.639 56.400 -0.271 0.000 0.819 182 E CB 0.414 30.193 29.700 0.131 0.000 1.081 182 E HN 0.528 nan 8.360 nan 0.000 0.397 183 H N 1.520 120.523 119.070 -0.110 0.000 2.977 183 H HA 0.298 4.853 4.556 -0.000 0.000 0.350 183 H C -0.990 174.142 175.328 -0.326 0.000 1.238 183 H CA -0.837 55.073 56.048 -0.230 0.000 1.124 183 H CB 1.366 30.866 29.762 -0.437 0.000 1.866 183 H HN 0.201 nan 8.280 nan 0.000 0.550 184 V N 1.992 121.864 119.914 -0.071 0.000 2.320 184 V HA 0.066 4.186 4.120 -0.000 0.000 0.265 184 V C 0.607 176.579 176.094 -0.203 0.000 1.048 184 V CA -0.023 62.186 62.300 -0.151 0.000 0.865 184 V CB 0.031 31.774 31.823 -0.134 0.000 1.043 184 V HN 0.745 nan 8.190 nan 0.000 0.474 185 H N 2.726 121.702 119.070 -0.157 0.000 2.544 185 H HA 0.017 4.573 4.556 -0.000 0.000 0.269 185 H C 1.455 176.696 175.328 -0.145 0.000 0.970 185 H CA 0.636 56.547 56.048 -0.228 0.000 1.219 185 H CB 0.311 29.820 29.762 -0.422 0.000 1.421 185 H HN 0.777 nan 8.280 nan 0.000 0.555 186 Q N -1.421 118.315 119.800 -0.107 0.000 2.858 186 Q HA -0.265 4.074 4.340 -0.000 0.000 0.191 186 Q C -0.036 175.989 176.000 0.042 0.000 2.796 186 Q CA 1.585 57.322 55.803 -0.109 0.000 0.359 186 Q CB -0.878 27.722 28.738 -0.230 0.000 0.330 186 Q HN 0.371 nan 8.270 nan 0.000 0.511 187 Q N -0.907 118.836 119.800 -0.095 0.000 2.215 187 Q HA 0.387 4.726 4.340 -0.000 0.000 0.256 187 Q C 0.098 176.012 176.000 -0.144 0.000 0.972 187 Q CA -0.166 55.426 55.803 -0.352 0.000 0.889 187 Q CB 0.565 29.126 28.738 -0.295 0.000 1.281 187 Q HN 0.262 nan 8.270 nan 0.000 0.456 188 Y N 0.728 120.902 120.300 -0.210 0.000 2.201 188 Y HA 0.163 4.713 4.550 -0.000 0.000 0.292 188 Y C 0.407 176.292 175.900 -0.024 0.000 1.119 188 Y CA 0.881 58.981 58.100 0.000 0.000 1.127 188 Y CB 0.467 39.031 38.460 0.173 0.000 1.019 188 Y HN 0.452 nan 8.280 nan 0.000 0.514 189 R N 1.318 121.781 120.500 -0.063 0.000 2.401 189 R HA 0.050 4.390 4.340 -0.000 0.000 0.299 189 R C -1.210 174.845 176.300 -0.409 0.000 1.064 189 R CA -0.130 55.789 56.100 -0.302 0.000 1.000 189 R CB -0.017 30.267 30.300 -0.027 0.000 0.973 189 R HN 0.328 nan 8.270 nan 0.000 0.438 190 H N 3.303 122.106 119.070 -0.444 0.000 2.800 190 H HA -0.008 4.548 4.556 -0.000 0.000 0.291 190 H C 0.474 175.642 175.328 -0.267 0.000 1.076 190 H CA -0.207 55.643 56.048 -0.330 0.000 1.452 190 H CB 1.073 30.590 29.762 -0.407 0.000 1.461 190 H HN 0.659 nan 8.280 nan 0.000 0.488 191 D N 3.535 123.889 120.400 -0.076 0.000 2.191 191 D HA -0.222 4.418 4.640 -0.000 0.000 0.195 191 D C 0.920 177.152 176.300 -0.113 0.000 1.003 191 D CA 1.302 55.258 54.000 -0.073 0.000 0.867 191 D CB 0.118 40.892 40.800 -0.043 0.000 0.926 191 D HN 0.615 nan 8.370 nan 0.000 0.450 192 M N -1.552 117.967 119.600 -0.134 0.000 2.943 192 M HA -0.221 4.259 4.480 -0.000 0.000 0.198 192 M C 0.015 176.152 176.300 -0.271 0.000 0.606 192 M CA 0.178 55.345 55.300 -0.221 0.000 0.744 192 M CB -2.683 29.770 32.600 -0.245 0.000 2.671 192 M HN 0.041 nan 8.290 nan 0.000 0.342 193 N N 0.219 118.810 118.700 -0.182 0.000 2.416 193 N HA 0.095 4.835 4.740 -0.000 0.000 0.246 193 N C -0.705 174.699 175.510 -0.178 0.000 1.260 193 N CA 0.295 53.239 53.050 -0.176 0.000 0.897 193 N CB 0.364 38.830 38.487 -0.035 0.000 1.110 193 N HN 0.250 nan 8.380 nan 0.000 0.439 194 W N 2.220 123.459 121.300 -0.102 0.000 2.520 194 W HA 0.072 4.732 4.660 -0.000 0.000 0.337 194 W C 0.706 177.122 176.519 -0.170 0.000 1.406 194 W CA 0.178 57.448 57.345 -0.125 0.000 1.318 194 W CB -0.068 29.324 29.460 -0.112 0.000 1.338 194 W HN 0.312 nan 8.180 nan 0.000 0.570 195 K N 2.210 122.591 120.400 -0.031 0.000 2.557 195 K HA 0.448 4.768 4.320 -0.000 0.000 0.257 195 K C -1.124 175.281 176.600 -0.326 0.000 0.933 195 K CA -0.518 55.620 56.287 -0.249 0.000 0.820 195 K CB 1.332 33.631 32.500 -0.336 0.000 1.330 195 K HN 0.137 nan 8.250 nan 0.000 0.432 196 T N 3.383 117.679 114.554 -0.430 0.000 2.779 196 T HA 0.467 4.817 4.350 -0.000 0.000 0.280 196 T C -1.205 173.195 174.700 -0.500 0.000 0.987 196 T CA -0.265 61.641 62.100 -0.323 0.000 0.966 196 T CB 0.337 69.113 68.868 -0.152 0.000 0.933 196 T HN 0.428 nan 8.240 nan 0.000 0.442 197 W N 5.831 127.049 121.300 -0.137 0.000 2.296 197 W HA 0.366 5.026 4.660 -0.000 0.000 0.316 197 W C -2.275 174.229 176.519 -0.024 0.000 1.022 197 W CA -2.341 54.875 57.345 -0.214 0.000 1.324 197 W CB 1.140 30.354 29.460 -0.409 0.000 1.227 197 W HN 0.382 nan 8.180 nan 0.000 0.409 198 P HA 0.337 nan 4.420 nan 0.000 0.278 198 P C -0.553 177.008 177.300 0.434 0.000 1.238 198 P CA 0.056 63.313 63.100 0.262 0.000 0.794 198 P CB 1.929 33.723 31.700 0.156 0.000 0.955 199 I N 3.098 123.866 120.570 0.329 0.000 2.468 199 I HA 0.449 4.619 4.170 -0.000 0.000 0.284 199 I C -0.857 175.468 176.117 0.347 0.000 1.038 199 I CA -0.536 60.944 61.300 0.301 0.000 1.083 199 I CB 1.177 39.327 38.000 0.249 0.000 1.223 199 I HN 0.257 nan 8.210 nan 0.000 0.443 200 F N 5.651 125.669 119.950 0.112 0.000 2.775 200 F HA 0.320 4.847 4.527 -0.000 0.000 0.339 200 F C -0.960 174.938 175.800 0.164 0.000 1.159 200 F CA -0.815 57.255 58.000 0.116 0.000 1.145 200 F CB 0.944 39.954 39.000 0.016 0.000 1.408 200 F HN 0.323 nan 8.300 nan 0.000 0.597 201 N N 4.418 123.033 118.700 -0.141 0.000 2.411 201 N HA 0.282 5.022 4.740 -0.000 0.000 0.265 201 N C -0.599 174.902 175.510 -0.015 0.000 1.266 201 N CA 0.298 53.317 53.050 -0.052 0.000 0.889 201 N CB 0.541 38.953 38.487 -0.126 0.000 1.069 201 N HN 0.595 nan 8.380 nan 0.000 0.476 202 R N 1.211 121.724 120.500 0.022 0.000 2.584 202 R HA 0.199 4.539 4.340 -0.000 0.000 0.276 202 R C -1.807 174.504 176.300 0.018 0.000 1.046 202 R CA -0.740 55.385 56.100 0.043 0.000 0.906 202 R CB 0.818 31.163 30.300 0.074 0.000 1.215 202 R HN 0.342 nan 8.270 nan 0.000 0.449 203 D N 2.887 123.355 120.400 0.114 0.000 2.383 203 D HA 0.227 4.866 4.640 -0.000 0.000 0.245 203 D C -1.067 175.297 176.300 0.107 0.000 1.263 203 D CA 0.558 54.683 54.000 0.208 0.000 0.936 203 D CB 0.354 41.297 40.800 0.238 0.000 1.053 203 D HN 0.608 nan 8.370 nan 0.000 0.507 204 T N -0.257 114.271 114.554 -0.043 0.000 2.843 204 T HA 0.407 4.757 4.350 -0.000 0.000 0.302 204 T C -0.110 174.583 174.700 -0.012 0.000 1.232 204 T CA -0.982 61.114 62.100 -0.007 0.000 1.009 204 T CB 1.127 69.975 68.868 -0.034 0.000 1.254 204 T HN 0.086 nan 8.240 nan 0.000 0.504 205 T N 4.035 118.647 114.554 0.098 0.000 2.870 205 T HA 0.369 4.718 4.350 -0.000 0.000 0.300 205 T C -2.339 172.434 174.700 0.123 0.000 0.989 205 T CA -0.766 61.436 62.100 0.170 0.000 1.139 205 T CB 0.262 69.255 68.868 0.209 0.000 0.920 205 T HN 0.475 nan 8.240 nan 0.000 0.537 206 P HA 0.138 nan 4.420 nan 0.000 0.267 206 P C -0.698 176.765 177.300 0.271 0.000 1.328 206 P CA -0.282 62.925 63.100 0.179 0.000 0.990 206 P CB -0.009 31.833 31.700 0.238 0.000 1.168 207 N N 1.344 120.165 118.700 0.202 0.000 3.167 207 N HA 0.357 5.096 4.740 -0.000 0.000 0.323 207 N C 1.080 176.587 175.510 -0.005 0.000 1.478 207 N CA -0.878 52.343 53.050 0.284 0.000 0.753 207 N CB -0.331 38.312 38.487 0.260 0.000 1.721 207 N HN 0.030 nan 8.380 nan 0.000 0.618 208 G N -1.218 107.613 108.800 0.051 0.000 2.956 208 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.207 208 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.207 208 G C 0.304 175.166 174.900 -0.064 0.000 1.162 208 G CA -0.026 44.955 45.100 -0.198 0.000 0.796 208 G HN 0.550 nan 8.290 nan 0.000 0.527 209 N N 0.969 119.671 118.700 0.004 0.000 2.463 209 N HA 0.017 4.757 4.740 -0.000 0.000 0.181 209 N C 1.779 177.298 175.510 0.016 0.000 1.078 209 N CA 0.818 53.878 53.050 0.017 0.000 0.902 209 N CB 0.067 38.581 38.487 0.044 0.000 0.970 209 N HN 0.341 nan 8.380 nan 0.000 0.451 210 G N 1.581 110.417 108.800 0.060 0.000 2.273 210 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.280 210 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.280 210 G C 0.417 175.466 174.900 0.248 0.000 1.047 210 G CA 1.005 46.245 45.100 0.234 0.000 0.869 210 G HN 0.519 nan 8.290 nan 0.000 0.502 211 T N -1.344 113.322 114.554 0.186 0.000 2.816 211 T HA 0.490 4.840 4.350 -0.000 0.000 0.282 211 T C 0.891 175.771 174.700 0.300 0.000 0.993 211 T CA -0.093 62.116 62.100 0.181 0.000 0.994 211 T CB 0.941 69.867 68.868 0.096 0.000 1.025 211 T HN 0.785 nan 8.240 nan 0.000 0.529 212 N N 1.733 120.591 118.700 0.263 0.000 2.357 212 N HA 0.063 4.803 4.740 -0.000 0.000 0.257 212 N C -0.249 175.299 175.510 0.064 0.000 1.250 212 N CA -0.007 53.183 53.050 0.234 0.000 0.862 212 N CB 0.246 38.868 38.487 0.226 0.000 1.066 212 N HN 0.691 nan 8.380 nan 0.000 0.468 213 L N 0.605 121.802 121.223 -0.044 0.000 2.777 213 L HA 0.301 4.640 4.340 -0.000 0.000 0.241 213 L C 1.165 177.906 176.870 -0.216 0.000 1.854 213 L CA -0.961 53.714 54.840 -0.275 0.000 2.070 213 L CB -0.238 41.630 42.059 -0.318 0.000 2.441 213 L HN 0.351 nan 8.230 nan 0.000 0.587 214 Y N -0.084 120.242 120.300 0.044 0.000 2.373 214 Y HA 0.139 4.689 4.550 -0.000 0.000 0.293 214 Y C 1.225 177.142 175.900 0.029 0.000 1.129 214 Y CA 0.424 58.540 58.100 0.027 0.000 1.226 214 Y CB -0.523 37.938 38.460 0.001 0.000 1.000 214 Y HN 0.399 nan 8.280 nan 0.000 0.549 215 G N -0.915 107.984 108.800 0.164 0.000 2.630 215 G HA2 0.700 4.660 3.960 -0.000 0.000 0.296 215 G HA3 0.700 4.660 3.960 -0.000 0.000 0.296 215 G C -1.548 173.388 174.900 0.059 0.000 1.285 215 G CA -0.626 44.553 45.100 0.131 0.000 0.958 215 G HN 0.152 nan 8.290 nan 0.000 0.479 216 A N 0.722 123.589 122.820 0.078 0.000 2.340 216 A HA 0.713 5.033 4.320 -0.000 0.000 0.297 216 A C -0.682 176.800 177.584 -0.171 0.000 1.195 216 A CA -0.554 51.513 52.037 0.050 0.000 0.769 216 A CB 1.218 20.387 19.000 0.282 0.000 1.163 216 A HN 0.382 nan 8.150 nan 0.000 0.472 217 Q N 2.146 121.762 119.800 -0.308 0.000 2.414 217 Q HA 0.237 4.577 4.340 -0.000 0.000 0.256 217 Q C 0.481 176.309 176.000 -0.287 0.000 0.974 217 Q CA -0.060 55.392 55.803 -0.586 0.000 0.723 217 Q CB 1.445 29.301 28.738 -1.470 0.000 1.281 217 Q HN 0.887 nan 8.270 nan 0.000 0.470 218 T N -1.610 112.919 114.554 -0.043 0.000 3.100 218 T HA 0.126 4.476 4.350 -0.000 0.000 0.253 218 T C 0.593 175.491 174.700 0.330 0.000 1.118 218 T CA -0.134 62.072 62.100 0.176 0.000 1.058 218 T CB -0.056 68.846 68.868 0.055 0.000 0.953 218 T HN 0.292 nan 8.240 nan 0.000 0.515 219 F N 3.791 123.795 119.950 0.091 0.000 2.538 219 F HA 0.456 4.982 4.527 -0.000 0.000 0.371 219 F C -0.410 175.504 175.800 0.189 0.000 1.087 219 F CA -2.183 55.824 58.000 0.011 0.000 1.250 219 F CB 0.153 38.830 39.000 -0.540 0.000 1.110 219 F HN 0.263 nan 8.300 nan 0.000 0.570 220 F N 6.101 125.591 119.950 -0.767 0.000 2.593 220 F HA 0.729 5.256 4.527 -0.000 0.000 0.320 220 F C -2.038 173.043 175.800 -1.199 0.000 1.060 220 F CA -1.561 55.959 58.000 -0.801 0.000 0.940 220 F CB 1.130 39.892 39.000 -0.396 0.000 1.268 220 F HN 0.511 nan 8.300 nan 0.000 0.475 221 L N 3.088 123.980 121.223 -0.552 0.000 2.346 221 L HA 0.716 5.056 4.340 -0.000 0.000 0.274 221 L C -1.496 175.289 176.870 -0.142 0.000 1.007 221 L CA -0.646 53.954 54.840 -0.401 0.000 0.818 221 L CB 1.657 43.675 42.059 -0.068 0.000 1.284 221 L HN 1.095 nan 8.230 nan 0.000 0.424 222 C N 6.049 125.129 119.300 -0.366 0.000 2.322 222 C HA 0.503 4.963 4.460 -0.000 0.000 0.324 222 C C -0.353 174.534 174.990 -0.171 0.000 1.249 222 C CA -0.961 57.880 59.018 -0.296 0.000 1.453 222 C CB 0.674 28.092 27.740 -0.537 0.000 2.145 222 C HN 0.780 nan 8.230 nan 0.000 0.466 223 L N 6.399 127.577 121.223 -0.075 0.000 2.385 223 L HA 0.357 4.697 4.340 -0.000 0.000 0.281 223 L C 1.102 177.876 176.870 -0.159 0.000 1.106 223 L CA 0.922 55.682 54.840 -0.133 0.000 0.856 223 L CB 0.260 42.191 42.059 -0.213 0.000 1.186 223 L HN 0.838 nan 8.230 nan 0.000 0.453 224 E N 2.119 122.291 120.200 -0.047 0.000 2.107 224 E HA -0.050 4.300 4.350 -0.000 0.000 0.191 224 E C -0.406 176.175 176.600 -0.032 0.000 0.982 224 E CA 1.469 57.883 56.400 0.023 0.000 0.809 224 E CB 0.154 29.916 29.700 0.103 0.000 0.756 224 E HN 0.934 nan 8.360 nan 0.000 0.459 225 D N -2.970 117.402 120.400 -0.046 0.000 2.779 225 D HA 0.258 4.898 4.640 -0.000 0.000 0.331 225 D C -0.177 176.239 176.300 0.192 0.000 1.331 225 D CA -0.199 53.841 54.000 0.067 0.000 0.866 225 D CB 0.183 41.059 40.800 0.126 0.000 1.409 225 D HN -0.110 nan 8.370 nan 0.000 0.486 226 A N -0.272 122.817 122.820 0.447 0.000 2.172 226 A HA 0.029 4.349 4.320 -0.000 0.000 0.216 226 A C 1.829 179.668 177.584 0.425 0.000 1.154 226 A CA 1.755 54.140 52.037 0.580 0.000 0.701 226 A CB -1.092 18.216 19.000 0.514 0.000 0.789 226 A HN 0.675 nan 8.150 nan 0.000 0.465 227 S N -1.957 113.900 115.700 0.262 0.000 2.447 227 S HA 0.280 4.750 4.470 -0.000 0.000 0.233 227 S C 1.588 176.254 174.600 0.109 0.000 1.006 227 S CA 1.366 59.690 58.200 0.208 0.000 0.957 227 S CB -0.272 63.002 63.200 0.123 0.000 0.773 227 S HN 1.779 nan 8.310 nan 0.000 0.507 228 G N 0.587 109.341 108.800 -0.076 0.000 2.253 228 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.209 228 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.209 228 G C -0.009 174.660 174.900 -0.384 0.000 0.997 228 G CA -0.151 44.538 45.100 -0.684 0.000 0.640 228 G HN 0.494 nan 8.290 nan 0.000 0.496 229 L N 2.126 123.260 121.223 -0.148 0.000 2.601 229 L HA 0.416 4.756 4.340 -0.000 0.000 0.277 229 L C 0.469 177.327 176.870 -0.021 0.000 1.219 229 L CA 0.601 55.409 54.840 -0.052 0.000 0.915 229 L CB 0.687 42.755 42.059 0.014 0.000 1.160 229 L HN 0.249 nan 8.230 nan 0.000 0.494 230 S N 2.668 118.381 115.700 0.021 0.000 2.618 230 S HA 0.813 5.282 4.470 -0.000 0.000 0.277 230 S C -0.860 173.868 174.600 0.214 0.000 1.138 230 S CA -0.611 57.623 58.200 0.055 0.000 0.844 230 S CB 2.286 65.445 63.200 -0.069 0.000 1.127 230 S HN 0.468 nan 8.310 nan 0.000 0.474 231 F N -1.166 118.805 119.950 0.036 0.000 2.685 231 F HA 0.968 5.495 4.527 -0.000 0.000 0.315 231 F C -0.241 175.593 175.800 0.056 0.000 1.126 231 F CA -0.793 57.256 58.000 0.081 0.000 0.950 231 F CB 1.019 40.067 39.000 0.079 0.000 1.360 231 F HN 0.750 nan 8.300 nan 0.000 0.469 232 G N 0.443 109.336 108.800 0.156 0.000 2.619 232 G HA2 0.644 4.604 3.960 -0.000 0.000 0.296 232 G HA3 0.644 4.604 3.960 -0.000 0.000 0.296 232 G C -2.417 172.525 174.900 0.071 0.000 1.334 232 G CA -1.170 43.853 45.100 -0.127 0.000 0.934 232 G HN 0.757 nan 8.290 nan 0.000 0.476 233 V N 0.777 120.423 119.914 -0.448 0.000 2.638 233 V HA 0.640 4.760 4.120 -0.000 0.000 0.306 233 V C -1.392 174.812 176.094 0.183 0.000 1.052 233 V CA -0.682 61.551 62.300 -0.110 0.000 0.885 233 V CB 1.598 33.309 31.823 -0.186 0.000 0.999 233 V HN 0.723 nan 8.190 nan 0.000 0.424 234 F N 6.033 126.141 119.950 0.264 0.000 2.529 234 F HA 0.793 5.320 4.527 -0.000 0.000 0.320 234 F C -1.128 174.694 175.800 0.038 0.000 1.118 234 F CA -1.144 57.010 58.000 0.256 0.000 0.915 234 F CB 1.812 41.107 39.000 0.492 0.000 1.161 234 F HN 0.413 nan 8.300 nan 0.000 0.445 235 L N 7.686 128.334 121.223 -0.958 0.000 2.280 235 L HA 0.515 4.855 4.340 -0.000 0.000 0.287 235 L C -0.690 175.290 176.870 -1.484 0.000 1.023 235 L CA -0.673 53.376 54.840 -1.319 0.000 0.819 235 L CB 1.171 42.406 42.059 -1.374 0.000 1.212 235 L HN 0.769 nan 8.230 nan 0.000 0.420 236 M N 6.338 125.267 119.600 -1.119 0.000 2.725 236 M HA 0.374 4.854 4.480 -0.000 0.000 0.322 236 M C -1.044 175.063 176.300 -0.323 0.000 1.393 236 M CA 0.531 55.469 55.300 -0.604 0.000 1.452 236 M CB -1.008 31.494 32.600 -0.164 0.000 1.242 236 M HN 0.648 nan 8.290 nan 0.000 0.487 237 N N 1.201 119.800 118.700 -0.167 0.000 2.455 237 N HA 0.211 4.951 4.740 -0.000 0.000 0.285 237 N C -0.756 174.869 175.510 0.192 0.000 1.080 237 N CA 0.104 53.129 53.050 -0.043 0.000 0.932 237 N CB 1.609 39.977 38.487 -0.198 0.000 1.610 237 N HN 0.529 nan 8.380 nan 0.000 0.493 238 S N 1.333 117.154 115.700 0.202 0.000 2.554 238 S HA 0.242 4.712 4.470 -0.000 0.000 0.226 238 S C 0.276 174.948 174.600 0.121 0.000 0.980 238 S CA -0.552 57.740 58.200 0.153 0.000 0.939 238 S CB -0.100 63.023 63.200 -0.129 0.000 0.832 238 S HN 0.477 nan 8.310 nan 0.000 0.486 239 N N 2.159 120.906 118.700 0.079 0.000 2.445 239 N HA 0.460 5.200 4.740 -0.000 0.000 0.264 239 N C 0.061 175.598 175.510 0.045 0.000 1.227 239 N CA 0.061 53.090 53.050 -0.035 0.000 0.963 239 N CB 0.993 39.401 38.487 -0.131 0.000 1.188 239 N HN 0.418 nan 8.380 nan 0.000 0.491 240 A N 1.287 124.088 122.820 -0.032 0.000 2.540 240 A HA 0.270 4.590 4.320 -0.000 0.000 0.239 240 A C 0.415 177.989 177.584 -0.016 0.000 1.061 240 A CA 0.468 52.494 52.037 -0.019 0.000 0.758 240 A CB -0.266 18.400 19.000 -0.557 0.000 0.991 240 A HN 0.777 nan 8.150 nan 0.000 0.502 241 M N 0.941 120.585 119.600 0.073 0.000 2.880 241 M HA 0.768 5.248 4.480 -0.000 0.000 0.269 241 M C -1.193 175.182 176.300 0.124 0.000 1.248 241 M CA -0.736 54.613 55.300 0.082 0.000 0.821 241 M CB 1.922 34.585 32.600 0.104 0.000 1.650 241 M HN 0.739 nan 8.290 nan 0.000 0.479 242 E N 0.626 120.900 120.200 0.123 0.000 2.367 242 E HA 0.698 5.048 4.350 -0.000 0.000 0.273 242 E C -1.756 174.888 176.600 0.072 0.000 0.903 242 E CA -1.140 55.336 56.400 0.126 0.000 0.764 242 E CB 2.841 32.610 29.700 0.115 0.000 1.252 242 E HN 0.535 nan 8.360 nan 0.000 0.446 243 V N 1.910 121.854 119.914 0.051 0.000 2.384 243 V HA 0.291 4.410 4.120 -0.000 0.000 0.287 243 V C -0.449 175.591 176.094 -0.089 0.000 1.020 243 V CA -0.817 61.415 62.300 -0.112 0.000 0.850 243 V CB 1.441 33.153 31.823 -0.185 0.000 0.987 243 V HN 0.560 nan 8.190 nan 0.000 0.436 244 V N 6.714 126.543 119.914 -0.142 0.000 2.347 244 V HA 0.467 4.586 4.120 -0.000 0.000 0.280 244 V C -0.113 175.880 176.094 -0.169 0.000 1.021 244 V CA -0.420 61.818 62.300 -0.103 0.000 0.847 244 V CB 1.438 33.248 31.823 -0.023 0.000 0.990 244 V HN 0.620 nan 8.190 nan 0.000 0.444 245 L N 6.171 127.286 121.223 -0.180 0.000 2.317 245 L HA 0.703 5.042 4.340 -0.000 0.000 0.281 245 L C -0.091 176.594 176.870 -0.308 0.000 1.024 245 L CA -0.422 54.260 54.840 -0.264 0.000 0.810 245 L CB 1.680 43.592 42.059 -0.246 0.000 1.240 245 L HN 0.792 nan 8.230 nan 0.000 0.427 246 Q N 2.259 121.789 119.800 -0.451 0.000 2.456 246 Q HA 0.463 4.803 4.340 -0.000 0.000 0.283 246 Q C -2.669 172.889 176.000 -0.738 0.000 1.084 246 Q CA -2.011 53.285 55.803 -0.846 0.000 0.801 246 Q CB 2.475 30.570 28.738 -1.072 0.000 1.434 246 Q HN 0.184 nan 8.270 nan 0.000 0.419 247 P HA -0.030 nan 4.420 nan 0.000 0.239 247 P C 0.861 177.955 177.300 -0.343 0.000 1.184 247 P CA 1.210 64.003 63.100 -0.511 0.000 0.760 247 P CB -0.026 31.400 31.700 -0.458 0.000 0.884 248 A N 0.748 123.355 122.820 -0.356 0.000 1.915 248 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 248 A C -0.730 176.759 177.584 -0.159 0.000 1.198 248 A CA 1.385 53.292 52.037 -0.215 0.000 0.647 248 A CB -2.503 16.381 19.000 -0.194 0.000 0.825 248 A HN 0.288 nan 8.150 nan 0.000 0.456 249 P HA 0.559 nan 4.420 nan 0.000 0.278 249 P C -0.718 176.449 177.300 -0.222 0.000 1.238 249 P CA 0.264 63.228 63.100 -0.226 0.000 0.794 249 P CB 1.463 33.043 31.700 -0.201 0.000 0.955 250 A N 2.311 124.965 122.820 -0.275 0.000 2.612 250 A HA 0.733 5.052 4.320 -0.000 0.000 0.293 250 A C -1.332 176.070 177.584 -0.304 0.000 1.075 250 A CA -0.648 51.237 52.037 -0.254 0.000 0.680 250 A CB 1.140 20.018 19.000 -0.204 0.000 1.279 250 A HN 0.447 nan 8.150 nan 0.000 0.411 251 I N 0.966 121.356 120.570 -0.299 0.000 2.545 251 I HA 0.515 4.685 4.170 -0.000 0.000 0.292 251 I C -0.512 175.466 176.117 -0.232 0.000 1.040 251 I CA -0.389 60.699 61.300 -0.353 0.000 1.068 251 I CB 2.685 40.355 38.000 -0.549 0.000 1.251 251 I HN 0.634 nan 8.210 nan 0.000 0.424 252 T N 4.621 119.046 114.554 -0.214 0.000 2.841 252 T HA 0.512 4.861 4.350 -0.000 0.000 0.283 252 T C -1.087 173.533 174.700 -0.134 0.000 1.000 252 T CA -0.446 61.607 62.100 -0.078 0.000 0.977 252 T CB 0.961 69.823 68.868 -0.010 0.000 0.979 252 T HN 0.157 nan 8.240 nan 0.000 0.446 253 Y N 1.895 122.249 120.300 0.091 0.000 2.341 253 Y HA 0.595 5.145 4.550 -0.000 0.000 0.337 253 Y C 0.695 176.587 175.900 -0.014 0.000 1.014 253 Y CA -0.858 57.296 58.100 0.090 0.000 1.111 253 Y CB 1.363 39.953 38.460 0.217 0.000 1.194 253 Y HN 0.360 nan 8.280 nan 0.000 0.462 254 R N 2.427 122.957 120.500 0.049 0.000 2.521 254 R HA 0.396 4.736 4.340 -0.000 0.000 0.295 254 R C -1.362 174.834 176.300 -0.172 0.000 1.183 254 R CA -0.179 55.797 56.100 -0.206 0.000 0.957 254 R CB 1.235 31.402 30.300 -0.221 0.000 1.171 254 R HN 0.756 nan 8.270 nan 0.000 0.494 255 T N 3.075 117.484 114.554 -0.241 0.000 2.932 255 T HA 0.410 4.760 4.350 -0.000 0.000 0.289 255 T C 0.884 175.477 174.700 -0.178 0.000 1.039 255 T CA -0.858 61.154 62.100 -0.146 0.000 1.024 255 T CB 1.026 69.828 68.868 -0.111 0.000 1.090 255 T HN 0.650 nan 8.240 nan 0.000 0.496 256 I N 0.098 120.623 120.570 -0.075 0.000 3.974 256 I HA 0.673 4.842 4.170 -0.000 0.000 0.334 256 I C 0.490 176.667 176.117 0.100 0.000 1.437 256 I CA -0.501 60.820 61.300 0.035 0.000 1.113 256 I CB -0.046 38.018 38.000 0.106 0.000 1.063 256 I HN 0.602 nan 8.210 nan 0.000 0.400 257 G N -0.424 108.382 108.800 0.012 0.000 2.548 257 G HA2 0.536 4.495 3.960 -0.000 0.000 0.301 257 G HA3 0.536 4.495 3.960 -0.000 0.000 0.301 257 G C -0.121 174.799 174.900 0.033 0.000 1.349 257 G CA -0.116 45.043 45.100 0.098 0.000 0.792 257 G HN 0.573 nan 8.290 nan 0.000 0.481 258 G N -0.692 108.188 108.800 0.132 0.000 2.574 258 G HA2 0.145 4.104 3.960 -0.000 0.000 0.286 258 G HA3 0.145 4.104 3.960 -0.000 0.000 0.286 258 G C 0.318 175.208 174.900 -0.017 0.000 1.212 258 G CA 1.332 46.523 45.100 0.152 0.000 0.979 258 G HN 2.135 nan 8.290 nan 0.000 0.557 259 I N -2.811 117.710 120.570 -0.082 0.000 3.174 259 I HA 0.765 4.934 4.170 -0.000 0.000 0.313 259 I C -0.191 175.786 176.117 -0.233 0.000 1.155 259 I CA -1.512 59.713 61.300 -0.125 0.000 0.977 259 I CB 2.054 40.043 38.000 -0.018 0.000 1.248 259 I HN 0.520 nan 8.210 nan 0.000 0.453 260 L N 2.766 123.868 121.223 -0.202 0.000 2.282 260 L HA 0.373 4.713 4.340 -0.000 0.000 0.287 260 L C -0.871 175.756 176.870 -0.405 0.000 1.075 260 L CA 0.103 54.758 54.840 -0.309 0.000 0.839 260 L CB 0.047 42.098 42.059 -0.013 0.000 1.219 260 L HN 0.546 nan 8.230 nan 0.000 0.434 261 D N 3.894 123.909 120.400 -0.642 0.000 2.461 261 D HA 0.339 4.979 4.640 -0.000 0.000 0.240 261 D C -1.098 174.704 176.300 -0.829 0.000 1.094 261 D CA -0.220 53.424 54.000 -0.593 0.000 0.868 261 D CB 0.708 41.294 40.800 -0.357 0.000 1.062 261 D HN 0.011 nan 8.370 nan 0.000 0.530 262 F N 2.633 121.992 119.950 -0.985 0.000 2.480 262 F HA 0.482 5.009 4.527 -0.000 0.000 0.329 262 F C -0.441 174.807 175.800 -0.921 0.000 1.091 262 F CA -0.613 56.793 58.000 -0.990 0.000 0.972 262 F CB 1.479 39.601 39.000 -1.463 0.000 1.150 262 F HN 0.188 nan 8.300 nan 0.000 0.467 263 Y N 1.329 121.484 120.300 -0.242 0.000 2.446 263 Y HA 0.696 5.245 4.550 -0.000 0.000 0.345 263 Y C -0.737 174.862 175.900 -0.501 0.000 0.984 263 Y CA -1.148 56.713 58.100 -0.398 0.000 1.058 263 Y CB 2.035 40.260 38.460 -0.393 0.000 1.220 263 Y HN 0.178 nan 8.280 nan 0.000 0.455 264 V N 4.106 123.765 119.914 -0.425 0.000 2.588 264 V HA 0.474 4.594 4.120 -0.000 0.000 0.304 264 V C -1.092 174.779 176.094 -0.372 0.000 1.042 264 V CA -1.113 61.037 62.300 -0.251 0.000 0.877 264 V CB 1.398 33.192 31.823 -0.047 0.000 0.996 264 V HN 0.494 nan 8.190 nan 0.000 0.425 265 F N 4.666 124.746 119.950 0.217 0.000 2.507 265 F HA 0.753 5.279 4.527 -0.000 0.000 0.325 265 F C -0.398 175.526 175.800 0.208 0.000 1.116 265 F CA -0.796 57.317 58.000 0.189 0.000 0.930 265 F CB 1.721 40.851 39.000 0.216 0.000 1.146 265 F HN 0.183 nan 8.300 nan 0.000 0.447 266 L N 2.175 123.601 121.223 0.338 0.000 2.346 266 L HA 0.898 5.238 4.340 -0.000 0.000 0.276 266 L C 0.189 177.192 176.870 0.222 0.000 1.006 266 L CA -0.224 54.782 54.840 0.276 0.000 0.817 266 L CB 1.943 44.141 42.059 0.232 0.000 1.272 266 L HN 0.769 nan 8.230 nan 0.000 0.421 267 G N 0.625 109.526 108.800 0.167 0.000 2.672 267 G HA2 0.297 4.257 3.960 -0.000 0.000 0.292 267 G HA3 0.297 4.257 3.960 -0.000 0.000 0.292 267 G C -0.047 174.878 174.900 0.042 0.000 1.375 267 G CA -0.471 44.684 45.100 0.093 0.000 0.890 267 G HN 0.448 nan 8.290 nan 0.000 0.476 268 N N -0.582 118.124 118.700 0.010 0.000 2.463 268 N HA 0.064 4.804 4.740 -0.000 0.000 0.181 268 N C 0.794 176.226 175.510 -0.130 0.000 1.078 268 N CA 1.125 54.158 53.050 -0.029 0.000 0.902 268 N CB 0.421 38.907 38.487 -0.002 0.000 0.970 268 N HN 0.760 nan 8.380 nan 0.000 0.451 269 T N -4.171 110.294 114.554 -0.150 0.000 2.864 269 T HA 0.382 4.731 4.350 -0.000 0.000 0.299 269 T C -2.472 172.090 174.700 -0.230 0.000 1.166 269 T CA -1.644 60.281 62.100 -0.293 0.000 1.007 269 T CB 2.536 71.305 68.868 -0.165 0.000 1.219 269 T HN -0.360 nan 8.240 nan 0.000 0.506 270 P HA -0.077 nan 4.420 nan 0.000 0.215 270 P C 1.532 178.629 177.300 -0.337 0.000 1.153 270 P CA 1.001 63.854 63.100 -0.412 0.000 0.853 270 P CB 0.132 31.336 31.700 -0.826 0.000 0.788 271 E N -0.246 119.810 120.200 -0.241 0.000 2.110 271 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 271 E C 2.066 178.643 176.600 -0.039 0.000 0.988 271 E CA 1.156 57.528 56.400 -0.046 0.000 0.804 271 E CB -0.482 29.244 29.700 0.042 0.000 0.745 271 E HN 0.473 nan 8.360 nan 0.000 0.458 272 Q N 0.210 119.984 119.800 -0.044 0.000 2.170 272 Q HA -0.098 4.242 4.340 -0.000 0.000 0.203 272 Q C 2.370 178.364 176.000 -0.011 0.000 0.976 272 Q CA 1.024 56.815 55.803 -0.021 0.000 0.858 272 Q CB 0.027 28.763 28.738 -0.004 0.000 0.907 272 Q HN 0.123 nan 8.270 nan 0.000 0.433 273 V N 0.255 120.167 119.914 -0.002 0.000 2.295 273 V HA -0.242 3.877 4.120 -0.000 0.000 0.246 273 V C 2.296 178.384 176.094 -0.010 0.000 1.049 273 V CA 1.490 63.824 62.300 0.056 0.000 1.024 273 V CB -0.536 31.351 31.823 0.107 0.000 0.648 273 V HN 0.176 nan 8.190 nan 0.000 0.447 274 V N -0.271 119.642 119.914 -0.001 0.000 2.282 274 V HA -0.377 3.743 4.120 -0.000 0.000 0.249 274 V C 2.471 178.454 176.094 -0.185 0.000 1.057 274 V CA 2.318 64.576 62.300 -0.070 0.000 1.032 274 V CB -0.884 30.951 31.823 0.020 0.000 0.645 274 V HN 0.594 nan 8.190 nan 0.000 0.447 275 Q N -0.628 119.088 119.800 -0.141 0.000 2.096 275 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 275 Q C 2.402 178.271 176.000 -0.217 0.000 0.982 275 Q CA 1.608 57.308 55.803 -0.171 0.000 0.850 275 Q CB -0.220 28.452 28.738 -0.109 0.000 0.901 275 Q HN 0.622 nan 8.270 nan 0.000 0.422 276 E N 0.087 120.174 120.200 -0.188 0.000 2.051 276 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 276 E C 1.808 178.061 176.600 -0.579 0.000 0.991 276 E CA 1.017 57.299 56.400 -0.196 0.000 0.799 276 E CB -0.385 29.336 29.700 0.035 0.000 0.748 276 E HN 0.419 nan 8.360 nan 0.000 0.449 277 Y N 1.524 121.137 120.300 -1.144 0.000 2.181 277 Y HA -0.155 4.394 4.550 -0.000 0.000 0.288 277 Y C 2.146 177.502 175.900 -0.905 0.000 1.146 277 Y CA 1.364 58.509 58.100 -1.592 0.000 1.164 277 Y CB -0.432 37.008 38.460 -1.700 0.000 0.982 277 Y HN -0.069 nan 8.280 nan 0.000 0.515 278 L N 0.048 120.767 121.223 -0.839 0.000 2.217 278 L HA -0.096 4.244 4.340 -0.000 0.000 0.211 278 L C 2.358 178.905 176.870 -0.538 0.000 1.107 278 L CA 1.390 55.782 54.840 -0.748 0.000 0.783 278 L CB -0.555 41.204 42.059 -0.500 0.000 0.919 278 L HN 0.196 nan 8.230 nan 0.000 0.442 279 E N 1.200 121.159 120.200 -0.401 0.000 2.110 279 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 279 E C 1.995 178.474 176.600 -0.203 0.000 0.988 279 E CA 1.390 57.646 56.400 -0.241 0.000 0.804 279 E CB -0.186 29.426 29.700 -0.148 0.000 0.745 279 E HN 0.315 nan 8.360 nan 0.000 0.458 280 L N -0.341 120.701 121.223 -0.303 0.000 2.007 280 L HA 0.065 4.404 4.340 -0.000 0.000 0.205 280 L C 2.262 178.941 176.870 -0.317 0.000 1.073 280 L CA 1.622 56.292 54.840 -0.283 0.000 0.744 280 L CB -0.593 41.281 42.059 -0.308 0.000 0.898 280 L HN 0.293 nan 8.230 nan 0.000 0.435 281 I N 0.127 120.317 120.570 -0.634 0.000 2.761 281 I HA 0.287 4.457 4.170 -0.000 0.000 0.261 281 I C 0.604 176.476 176.117 -0.409 0.000 1.198 281 I CA 0.874 61.805 61.300 -0.616 0.000 1.482 281 I CB -0.252 37.071 38.000 -1.128 0.000 1.100 281 I HN 0.468 nan 8.210 nan 0.000 0.445 282 G N 1.176 109.611 108.800 -0.608 0.000 3.187 282 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.682 282 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.682 282 G C -0.438 174.119 174.900 -0.573 0.000 1.266 282 G CA -0.930 43.650 45.100 -0.866 0.000 0.902 282 G HN 0.176 nan 8.290 nan 0.000 0.589 283 R N 3.182 123.384 120.500 -0.497 0.000 2.641 283 R HA 0.440 4.780 4.340 -0.000 0.000 0.269 283 R C -1.773 174.358 176.300 -0.281 0.000 1.074 283 R CA -1.150 54.723 56.100 -0.378 0.000 1.133 283 R CB 0.720 30.784 30.300 -0.393 0.000 1.029 283 R HN 0.431 nan 8.270 nan 0.000 0.488 284 P HA -0.006 nan 4.420 nan 0.000 0.269 284 P C -0.836 176.477 177.300 0.021 0.000 1.209 284 P CA -0.082 62.968 63.100 -0.083 0.000 0.776 284 P CB 0.592 32.282 31.700 -0.016 0.000 0.876 285 A N 3.152 125.937 122.820 -0.057 0.000 2.498 285 A HA 0.099 4.419 4.320 -0.000 0.000 0.239 285 A C 0.212 177.706 177.584 -0.150 0.000 1.068 285 A CA -0.255 51.719 52.037 -0.105 0.000 0.766 285 A CB -0.492 18.413 19.000 -0.158 0.000 1.003 285 A HN 0.598 nan 8.150 nan 0.000 0.497 286 L N 5.326 126.298 121.223 -0.418 0.000 2.500 286 L HA 0.291 4.631 4.340 -0.000 0.000 0.272 286 L C -1.657 175.068 176.870 -0.242 0.000 1.149 286 L CA -1.147 53.481 54.840 -0.354 0.000 0.897 286 L CB 0.150 41.890 42.059 -0.531 0.000 1.178 286 L HN 0.532 nan 8.230 nan 0.000 0.473 287 P HA 0.141 nan 4.420 nan 0.000 0.274 287 P C -0.677 176.484 177.300 -0.231 0.000 1.246 287 P CA -0.542 62.388 63.100 -0.283 0.000 0.795 287 P CB 0.580 32.002 31.700 -0.463 0.000 1.006 288 S N 0.543 116.021 115.700 -0.369 0.000 2.552 288 S HA -0.072 4.397 4.470 -0.000 0.000 0.289 288 S C 1.057 175.365 174.600 -0.488 0.000 1.304 288 S CA -0.120 57.787 58.200 -0.489 0.000 1.063 288 S CB -0.408 62.207 63.200 -0.974 0.000 0.848 288 S HN 0.462 nan 8.310 nan 0.000 0.499 289 Y N 3.438 123.446 120.300 -0.487 0.000 2.207 289 Y HA -0.217 4.333 4.550 -0.000 0.000 0.287 289 Y C 2.041 177.722 175.900 -0.364 0.000 1.156 289 Y CA 2.063 59.833 58.100 -0.549 0.000 1.182 289 Y CB -0.126 37.915 38.460 -0.700 0.000 0.979 289 Y HN 0.927 nan 8.280 nan 0.000 0.521 290 W N -0.768 120.488 121.300 -0.074 0.000 2.392 290 W HA -0.055 4.605 4.660 -0.000 0.000 0.279 290 W C 1.814 178.199 176.519 -0.223 0.000 1.225 290 W CA 0.889 58.156 57.345 -0.131 0.000 1.233 290 W CB -1.168 28.214 29.460 -0.129 0.000 1.122 290 W HN 0.197 nan 8.180 nan 0.000 0.561 291 A N 1.513 123.939 122.820 -0.656 0.000 2.168 291 A HA 0.056 4.376 4.320 -0.000 0.000 0.215 291 A C 2.116 179.593 177.584 -0.178 0.000 1.152 291 A CA 0.725 52.411 52.037 -0.585 0.000 0.716 291 A CB -0.802 17.646 19.000 -0.921 0.000 0.794 291 A HN 0.363 nan 8.150 nan 0.000 0.465 292 L N -0.651 120.391 121.223 -0.302 0.000 2.478 292 L HA 0.073 4.413 4.340 -0.000 0.000 0.223 292 L C 1.827 178.595 176.870 -0.169 0.000 1.140 292 L CA 0.043 54.730 54.840 -0.256 0.000 0.842 292 L CB -0.668 41.114 42.059 -0.462 0.000 0.953 292 L HN 0.446 nan 8.230 nan 0.000 0.452 293 G N -0.461 108.245 108.800 -0.157 0.000 2.516 293 G HA2 0.079 4.039 3.960 -0.000 0.000 0.276 293 G HA3 0.079 4.039 3.960 -0.000 0.000 0.276 293 G C -0.851 174.214 174.900 0.275 0.000 1.390 293 G CA -0.442 44.611 45.100 -0.079 0.000 1.050 293 G HN -0.047 nan 8.290 nan 0.000 0.519 294 F N 0.090 120.240 119.950 0.334 0.000 2.410 294 F HA 0.523 5.049 4.527 -0.000 0.000 0.348 294 F C -0.164 175.763 175.800 0.212 0.000 1.106 294 F CA -0.832 57.335 58.000 0.279 0.000 1.163 294 F CB 0.878 40.034 39.000 0.260 0.000 1.129 294 F HN 0.332 nan 8.300 nan 0.000 0.516 295 H N 5.550 124.159 119.070 -0.767 0.000 2.469 295 H HA 0.618 5.173 4.556 -0.000 0.000 0.342 295 H C -1.183 173.568 175.328 -0.961 0.000 1.115 295 H CA -0.716 54.972 56.048 -0.600 0.000 1.204 295 H CB 1.736 31.173 29.762 -0.541 0.000 1.492 295 H HN 0.666 nan 8.280 nan 0.000 0.499 296 L N 1.594 122.636 121.223 -0.302 0.000 2.370 296 L HA 0.740 5.080 4.340 -0.000 0.000 0.266 296 L C -0.591 176.313 176.870 0.057 0.000 1.002 296 L CA -0.156 54.563 54.840 -0.202 0.000 0.818 296 L CB 1.981 43.969 42.059 -0.117 0.000 1.325 296 L HN 0.645 nan 8.230 nan 0.000 0.418 297 S N 3.046 118.822 115.700 0.126 0.000 2.552 297 S HA 0.867 5.337 4.470 -0.000 0.000 0.272 297 S C -1.678 173.135 174.600 0.355 0.000 1.150 297 S CA -0.695 57.689 58.200 0.305 0.000 0.849 297 S CB 1.210 64.387 63.200 -0.039 0.000 1.113 297 S HN 0.941 nan 8.310 nan 0.000 0.458 298 R N 2.065 122.715 120.500 0.249 0.000 2.663 298 R HA 0.384 4.724 4.340 -0.000 0.000 0.267 298 R C -1.784 174.620 176.300 0.173 0.000 1.038 298 R CA -1.012 55.087 56.100 -0.002 0.000 0.886 298 R CB 0.595 30.616 30.300 -0.466 0.000 1.249 298 R HN 0.678 nan 8.270 nan 0.000 0.463 299 Y N 3.041 123.377 120.300 0.060 0.000 2.531 299 Y HA 0.062 4.612 4.550 -0.000 0.000 0.347 299 Y C -0.401 175.417 175.900 -0.137 0.000 1.024 299 Y CA 0.005 58.142 58.100 0.061 0.000 1.306 299 Y CB 0.548 39.091 38.460 0.138 0.000 1.149 299 Y HN 0.813 nan 8.280 nan 0.000 0.527 300 E N 4.804 125.062 120.200 0.096 0.000 2.379 300 E HA -0.273 4.076 4.350 -0.000 0.000 0.206 300 E C -0.530 176.013 176.600 -0.095 0.000 1.297 300 E CA 0.560 56.917 56.400 -0.071 0.000 0.676 300 E CB -1.747 27.771 29.700 -0.302 0.000 1.164 300 E HN 0.938 nan 8.360 nan 0.000 0.402 301 Y N -0.018 120.352 120.300 0.117 0.000 2.242 301 Y HA -0.108 4.441 4.550 -0.000 0.000 0.291 301 Y C 2.411 178.332 175.900 0.035 0.000 1.137 301 Y CA 1.974 60.120 58.100 0.077 0.000 1.181 301 Y CB 0.042 38.572 38.460 0.115 0.000 0.989 301 Y HN 0.640 nan 8.280 nan 0.000 0.527 302 G N -0.925 108.028 108.800 0.255 0.000 2.490 302 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.214 302 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.214 302 G C 0.424 175.426 174.900 0.171 0.000 1.151 302 G CA 0.332 45.525 45.100 0.155 0.000 0.684 302 G HN 0.607 nan 8.290 nan 0.000 0.518 303 T N -2.027 112.490 114.554 -0.061 0.000 2.903 303 T HA 0.657 5.006 4.350 -0.000 0.000 0.299 303 T C 0.942 175.043 174.700 -0.998 0.000 1.093 303 T CA 0.215 62.017 62.100 -0.497 0.000 1.002 303 T CB 2.106 70.803 68.868 -0.284 0.000 1.127 303 T HN 1.045 nan 8.240 nan 0.000 0.488 304 L N 1.242 121.491 121.223 -1.625 0.000 2.042 304 L HA -0.001 4.339 4.340 -0.000 0.000 0.210 304 L C 1.875 178.361 176.870 -0.641 0.000 1.076 304 L CA 2.098 56.215 54.840 -1.205 0.000 0.749 304 L CB -1.058 40.453 42.059 -0.914 0.000 0.893 304 L HN 0.796 nan 8.230 nan 0.000 0.432 305 D N -0.440 119.698 120.400 -0.436 0.000 2.133 305 D HA -0.193 4.446 4.640 -0.000 0.000 0.195 305 D C 1.924 178.092 176.300 -0.220 0.000 0.997 305 D CA 1.268 55.112 54.000 -0.260 0.000 0.840 305 D CB -0.278 40.418 40.800 -0.174 0.000 0.947 305 D HN 0.398 nan 8.370 nan 0.000 0.452 306 N N 0.117 118.689 118.700 -0.213 0.000 2.142 306 N HA -0.112 4.628 4.740 -0.000 0.000 0.186 306 N C 1.833 177.235 175.510 -0.180 0.000 1.023 306 N CA 0.515 53.501 53.050 -0.106 0.000 0.852 306 N CB -0.383 38.104 38.487 0.001 0.000 0.998 306 N HN 0.275 nan 8.380 nan 0.000 0.424 307 M N 0.814 120.179 119.600 -0.391 0.000 2.067 307 M HA -0.148 4.331 4.480 -0.000 0.000 0.260 307 M C 2.254 178.280 176.300 -0.457 0.000 1.069 307 M CA 1.479 56.321 55.300 -0.765 0.000 1.117 307 M CB -0.003 32.157 32.600 -0.734 0.000 1.334 307 M HN -0.011 nan 8.290 nan 0.000 0.407 308 R N 0.152 120.411 120.500 -0.402 0.000 2.117 308 R HA -0.238 4.102 4.340 -0.000 0.000 0.243 308 R C 2.113 178.400 176.300 -0.022 0.000 1.143 308 R CA 2.231 58.261 56.100 -0.116 0.000 0.968 308 R CB -0.442 29.795 30.300 -0.105 0.000 0.863 308 R HN 0.607 nan 8.270 nan 0.000 0.444 309 E N -0.250 119.912 120.200 -0.065 0.000 2.077 309 E HA -0.165 4.184 4.350 -0.000 0.000 0.193 309 E C 1.834 178.450 176.600 0.027 0.000 0.989 309 E CA 1.575 57.968 56.400 -0.012 0.000 0.800 309 E CB 0.120 29.808 29.700 -0.020 0.000 0.746 309 E HN 0.219 nan 8.360 nan 0.000 0.452 310 V N 0.554 120.479 119.914 0.019 0.000 2.358 310 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 310 V C 2.464 178.638 176.094 0.132 0.000 1.047 310 V CA 1.354 63.703 62.300 0.081 0.000 1.035 310 V CB -0.283 31.628 31.823 0.147 0.000 0.658 310 V HN 0.198 nan 8.190 nan 0.000 0.452 311 V N -0.094 119.917 119.914 0.161 0.000 2.287 311 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 311 V C 2.636 178.898 176.094 0.280 0.000 1.053 311 V CA 1.989 64.489 62.300 0.333 0.000 1.027 311 V CB -0.628 31.395 31.823 0.334 0.000 0.646 311 V HN 0.537 nan 8.190 nan 0.000 0.447 312 E N 0.472 120.771 120.200 0.165 0.000 2.106 312 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 312 E C 2.316 178.981 176.600 0.108 0.000 0.984 312 E CA 1.444 57.915 56.400 0.119 0.000 0.806 312 E CB -0.412 29.334 29.700 0.077 0.000 0.750 312 E HN 0.791 nan 8.360 nan 0.000 0.458 313 R N 0.766 121.325 120.500 0.097 0.000 2.115 313 R HA 0.047 4.386 4.340 -0.000 0.000 0.230 313 R C 1.739 178.092 176.300 0.088 0.000 1.111 313 R CA 1.288 57.433 56.100 0.076 0.000 0.976 313 R CB -0.292 30.042 30.300 0.056 0.000 0.870 313 R HN 0.046 nan 8.270 nan 0.000 0.445 314 N N 0.949 119.720 118.700 0.119 0.000 2.300 314 N HA -0.037 4.703 4.740 -0.000 0.000 0.179 314 N C 1.711 177.339 175.510 0.195 0.000 1.016 314 N CA 0.910 54.023 53.050 0.104 0.000 0.876 314 N CB -0.054 38.405 38.487 -0.048 0.000 0.979 314 N HN 0.355 nan 8.380 nan 0.000 0.432 315 R N 1.177 121.835 120.500 0.264 0.000 2.081 315 R HA 0.013 4.353 4.340 -0.000 0.000 0.235 315 R C 2.288 178.645 176.300 0.095 0.000 1.131 315 R CA 1.194 57.402 56.100 0.180 0.000 0.960 315 R CB -0.336 30.038 30.300 0.123 0.000 0.856 315 R HN 0.138 nan 8.270 nan 0.000 0.436 316 A N 1.516 124.384 122.820 0.080 0.000 1.940 316 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 316 A C 2.286 179.894 177.584 0.041 0.000 1.176 316 A CA 1.756 53.823 52.037 0.050 0.000 0.631 316 A CB -0.518 18.509 19.000 0.045 0.000 0.814 316 A HN 0.402 nan 8.150 nan 0.000 0.446 317 A N -2.066 120.783 122.820 0.047 0.000 2.206 317 A HA 0.172 4.492 4.320 -0.000 0.000 0.211 317 A C 0.847 178.442 177.584 0.018 0.000 1.158 317 A CA 0.979 53.034 52.037 0.030 0.000 0.761 317 A CB -0.178 18.840 19.000 0.029 0.000 0.801 317 A HN 0.511 nan 8.150 nan 0.000 0.473 318 Q N -2.184 117.634 119.800 0.030 0.000 2.478 318 Q HA -0.199 4.141 4.340 -0.000 0.000 0.286 318 Q C -0.364 175.630 176.000 -0.011 0.000 1.299 318 Q CA 0.682 56.493 55.803 0.013 0.000 0.826 318 Q CB -2.467 26.268 28.738 -0.006 0.000 1.199 318 Q HN 0.564 nan 8.270 nan 0.000 0.451 319 L N 1.447 122.681 121.223 0.018 0.000 2.367 319 L HA 0.329 4.669 4.340 -0.000 0.000 0.275 319 L C -1.958 174.891 176.870 -0.035 0.000 1.129 319 L CA -1.177 53.638 54.840 -0.042 0.000 0.839 319 L CB 0.621 42.653 42.059 -0.046 0.000 1.133 319 L HN -0.154 nan 8.230 nan 0.000 0.453 320 P HA 0.052 nan 4.420 nan 0.000 0.262 320 P C -1.788 175.538 177.300 0.044 0.000 1.199 320 P CA 0.511 63.365 63.100 -0.410 0.000 0.763 320 P CB 0.048 31.069 31.700 -1.132 0.000 0.790 321 Y N 3.026 123.379 120.300 0.088 0.000 2.283 321 Y HA 0.226 4.776 4.550 -0.000 0.000 0.329 321 Y C -0.409 175.600 175.900 0.181 0.000 1.181 321 Y CA -0.977 57.287 58.100 0.273 0.000 1.283 321 Y CB 0.428 39.019 38.460 0.219 0.000 1.186 321 Y HN 0.216 nan 8.280 nan 0.000 0.436 322 D N 2.698 123.272 120.400 0.290 0.000 2.262 322 D HA 0.233 4.873 4.640 -0.000 0.000 0.212 322 D C -0.349 175.877 176.300 -0.123 0.000 0.964 322 D CA 1.293 55.325 54.000 0.053 0.000 0.875 322 D CB 0.793 41.668 40.800 0.126 0.000 0.996 322 D HN 0.170 nan 8.370 nan 0.000 0.497 323 V N 0.797 120.655 119.914 -0.092 0.000 2.709 323 V HA 0.448 4.568 4.120 -0.000 0.000 0.308 323 V C -0.829 175.360 176.094 0.157 0.000 1.062 323 V CA -0.988 61.252 62.300 -0.101 0.000 0.901 323 V CB 1.961 33.590 31.823 -0.323 0.000 1.003 323 V HN -0.161 nan 8.190 nan 0.000 0.425 324 Q N 2.666 122.578 119.800 0.187 0.000 2.316 324 Q HA 0.457 4.797 4.340 -0.000 0.000 0.264 324 Q C -0.904 175.363 176.000 0.446 0.000 0.987 324 Q CA -0.218 55.804 55.803 0.366 0.000 0.852 324 Q CB 1.176 30.095 28.738 0.302 0.000 1.287 324 Q HN 0.838 nan 8.270 nan 0.000 0.448 325 H N 1.404 120.656 119.070 0.303 0.000 2.472 325 H HA 0.786 5.342 4.556 -0.000 0.000 0.335 325 H C -1.039 174.578 175.328 0.482 0.000 1.136 325 H CA -0.888 55.377 56.048 0.362 0.000 1.264 325 H CB 1.831 31.746 29.762 0.254 0.000 1.486 325 H HN 0.717 nan 8.280 nan 0.000 0.517 326 A N 2.883 126.057 122.820 0.591 0.000 2.319 326 A HA 0.214 4.534 4.320 -0.000 0.000 0.310 326 A C -0.495 177.443 177.584 0.589 0.000 1.152 326 A CA -0.713 51.674 52.037 0.584 0.000 0.783 326 A CB 1.262 20.556 19.000 0.490 0.000 1.184 326 A HN 0.714 nan 8.150 nan 0.000 0.474 327 D N 1.120 121.809 120.400 0.482 0.000 2.511 327 D HA 0.274 4.914 4.640 -0.000 0.000 0.276 327 D C 1.743 178.002 176.300 -0.069 0.000 1.220 327 D CA -0.216 53.891 54.000 0.177 0.000 1.077 327 D CB 0.808 41.755 40.800 0.244 0.000 1.126 327 D HN 0.500 nan 8.370 nan 0.000 0.583 328 I N -1.162 119.194 120.570 -0.356 0.000 2.916 328 I HA -0.110 4.060 4.170 -0.000 0.000 0.267 328 I C 1.163 176.986 176.117 -0.490 0.000 1.263 328 I CA 0.847 61.801 61.300 -0.576 0.000 1.471 328 I CB -0.371 37.205 38.000 -0.707 0.000 1.089 328 I HN 0.188 nan 8.210 nan 0.000 0.468 329 D N 1.879 122.130 120.400 -0.249 0.000 2.309 329 D HA -0.291 4.349 4.640 -0.000 0.000 0.212 329 D C 2.022 178.003 176.300 -0.531 0.000 0.968 329 D CA 1.256 55.145 54.000 -0.186 0.000 0.882 329 D CB -0.792 40.051 40.800 0.072 0.000 0.918 329 D HN 0.745 nan 8.370 nan 0.000 0.503 330 Y N 0.780 120.578 120.300 -0.836 0.000 2.352 330 Y HA 0.116 4.666 4.550 -0.000 0.000 0.292 330 Y C 1.343 176.848 175.900 -0.659 0.000 1.136 330 Y CA -0.404 56.781 58.100 -1.524 0.000 1.227 330 Y CB -0.710 37.114 38.460 -1.061 0.000 0.991 330 Y HN -0.208 nan 8.280 nan 0.000 0.545 331 M N 1.656 120.727 119.600 -0.882 0.000 2.232 331 M HA 0.002 4.482 4.480 -0.000 0.000 0.321 331 M C -0.153 176.017 176.300 -0.216 0.000 1.101 331 M CA 0.038 55.023 55.300 -0.525 0.000 1.181 331 M CB 0.182 32.392 32.600 -0.650 0.000 1.432 331 M HN 0.103 nan 8.290 nan 0.000 0.457 332 D N 2.729 123.066 120.400 -0.106 0.000 2.374 332 D HA -0.001 4.639 4.640 -0.000 0.000 0.240 332 D C -0.278 175.953 176.300 -0.116 0.000 1.229 332 D CA 0.361 54.318 54.000 -0.070 0.000 0.895 332 D CB 0.210 40.990 40.800 -0.033 0.000 1.046 332 D HN 0.511 nan 8.370 nan 0.000 0.498 333 E N 3.662 123.799 120.200 -0.105 0.000 2.360 333 E HA -0.296 4.054 4.350 -0.000 0.000 0.238 333 E C 0.033 176.553 176.600 -0.133 0.000 1.186 333 E CA 0.510 56.849 56.400 -0.103 0.000 0.719 333 E CB -1.192 28.451 29.700 -0.094 0.000 1.236 333 E HN 0.797 nan 8.360 nan 0.000 0.386 334 R N -1.922 118.466 120.500 -0.186 0.000 3.770 334 R HA -0.222 4.118 4.340 -0.000 0.000 0.305 334 R C 0.058 176.240 176.300 -0.198 0.000 1.184 334 R CA 1.307 57.281 56.100 -0.209 0.000 0.823 334 R CB -1.458 28.796 30.300 -0.077 0.000 1.285 334 R HN 0.271 nan 8.270 nan 0.000 0.499 335 R N 1.191 121.549 120.500 -0.236 0.000 2.346 335 R HA 0.184 4.524 4.340 -0.000 0.000 0.311 335 R C -0.252 175.933 176.300 -0.192 0.000 0.983 335 R CA -1.029 54.938 56.100 -0.221 0.000 0.880 335 R CB 0.939 31.042 30.300 -0.327 0.000 1.100 335 R HN -0.043 nan 8.270 nan 0.000 0.453 336 D N 2.058 122.363 120.400 -0.157 0.000 2.472 336 D HA -0.060 4.580 4.640 -0.000 0.000 0.237 336 D C 0.176 176.254 176.300 -0.369 0.000 1.141 336 D CA 0.885 54.596 54.000 -0.482 0.000 0.875 336 D CB 0.188 40.625 40.800 -0.605 0.000 1.192 336 D HN 0.412 nan 8.370 nan 0.000 0.450 337 F N -1.456 118.119 119.950 -0.625 0.000 2.965 337 F HA -0.249 4.278 4.527 -0.000 0.000 0.287 337 F C 0.742 176.178 175.800 -0.605 0.000 0.790 337 F CA 0.747 58.111 58.000 -1.060 0.000 1.279 337 F CB -2.594 36.071 39.000 -0.559 0.000 1.409 337 F HN 0.308 nan 8.300 nan 0.000 0.446 338 T N -2.361 112.043 114.554 -0.250 0.000 2.896 338 T HA 0.787 5.136 4.350 -0.000 0.000 0.297 338 T C -0.788 174.158 174.700 0.410 0.000 1.108 338 T CA -0.573 61.630 62.100 0.171 0.000 1.004 338 T CB 3.119 72.061 68.868 0.123 0.000 1.159 338 T HN 0.515 nan 8.240 nan 0.000 0.499 339 Y N -0.836 119.723 120.300 0.432 0.000 2.570 339 Y HA 0.712 5.262 4.550 -0.000 0.000 0.345 339 Y C -0.605 175.415 175.900 0.201 0.000 1.014 339 Y CA -1.399 56.919 58.100 0.364 0.000 1.063 339 Y CB 1.255 40.055 38.460 0.566 0.000 1.272 339 Y HN 0.607 nan 8.280 nan 0.000 0.477 340 D N 1.894 122.444 120.400 0.251 0.000 2.344 340 D HA 0.020 4.660 4.640 -0.000 0.000 0.253 340 D C 1.069 177.486 176.300 0.194 0.000 1.255 340 D CA 0.609 54.701 54.000 0.154 0.000 0.894 340 D CB 1.103 42.015 40.800 0.186 0.000 1.067 340 D HN 0.783 nan 8.370 nan 0.000 0.492 341 S N 2.192 117.895 115.700 0.004 0.000 2.493 341 S HA -0.121 4.349 4.470 -0.000 0.000 0.243 341 S C 1.539 176.200 174.600 0.102 0.000 0.991 341 S CA 0.689 58.896 58.200 0.012 0.000 0.957 341 S CB 0.133 63.295 63.200 -0.062 0.000 0.756 341 S HN 0.329 nan 8.310 nan 0.000 0.521 342 V N 1.328 121.302 119.914 0.100 0.000 2.635 342 V HA 0.070 4.190 4.120 -0.000 0.000 0.233 342 V C 2.169 178.306 176.094 0.072 0.000 1.097 342 V CA 1.153 63.498 62.300 0.074 0.000 1.134 342 V CB -0.619 31.230 31.823 0.043 0.000 0.841 342 V HN 0.307 nan 8.190 nan 0.000 0.496 343 D N -0.117 120.341 120.400 0.097 0.000 2.219 343 D HA -0.068 4.572 4.640 -0.000 0.000 0.205 343 D C 1.000 177.246 176.300 -0.091 0.000 0.970 343 D CA 1.392 55.415 54.000 0.039 0.000 0.851 343 D CB -0.025 40.859 40.800 0.141 0.000 0.943 343 D HN 0.439 nan 8.370 nan 0.000 0.488 344 F N 0.439 120.408 119.950 0.032 0.000 2.855 344 F HA 0.210 4.737 4.527 -0.000 0.000 0.317 344 F C 0.709 176.639 175.800 0.216 0.000 1.169 344 F CA -0.745 57.267 58.000 0.019 0.000 1.299 344 F CB 0.172 39.105 39.000 -0.112 0.000 0.962 344 F HN -0.391 nan 8.300 nan 0.000 0.506 345 K N 0.729 121.279 120.400 0.250 0.000 2.466 345 K HA 0.251 4.571 4.320 -0.000 0.000 0.278 345 K C 1.205 177.917 176.600 0.187 0.000 1.048 345 K CA 1.258 57.690 56.287 0.242 0.000 1.088 345 K CB -0.025 32.549 32.500 0.123 0.000 0.884 345 K HN 0.585 nan 8.250 nan 0.000 0.478 346 G N 4.307 113.256 108.800 0.247 0.000 2.131 346 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.223 346 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.223 346 G C 0.320 175.341 174.900 0.202 0.000 0.990 346 G CA 0.013 45.214 45.100 0.169 0.000 0.671 346 G HN 0.663 nan 8.290 nan 0.000 0.521 347 F N 1.954 121.882 119.950 -0.036 0.000 2.095 347 F HA 0.042 4.568 4.527 -0.000 0.000 0.298 347 F C 0.491 176.205 175.800 -0.143 0.000 1.104 347 F CA 1.759 59.674 58.000 -0.141 0.000 1.232 347 F CB -1.283 37.408 39.000 -0.516 0.000 0.987 347 F HN 0.255 nan 8.300 nan 0.000 0.475 348 P HA -0.203 nan 4.420 nan 0.000 0.216 348 P C 1.799 179.007 177.300 -0.153 0.000 1.153 348 P CA 1.875 64.840 63.100 -0.226 0.000 0.858 348 P CB -0.168 31.458 31.700 -0.123 0.000 0.789 349 E N -1.164 119.013 120.200 -0.037 0.000 2.106 349 E HA -0.172 4.177 4.350 -0.000 0.000 0.192 349 E C 1.839 178.428 176.600 -0.019 0.000 0.984 349 E CA 0.843 57.227 56.400 -0.026 0.000 0.806 349 E CB -0.622 29.090 29.700 0.021 0.000 0.750 349 E HN 0.165 nan 8.360 nan 0.000 0.458 350 F N 1.017 120.912 119.950 -0.091 0.000 2.171 350 F HA -0.192 4.335 4.527 -0.000 0.000 0.300 350 F C 2.085 177.752 175.800 -0.222 0.000 1.090 350 F CA 1.134 59.079 58.000 -0.091 0.000 1.293 350 F CB -0.245 38.782 39.000 0.044 0.000 1.013 350 F HN -0.156 nan 8.300 nan 0.000 0.486 351 V N 0.894 120.542 119.914 -0.443 0.000 2.427 351 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 351 V C 2.130 177.749 176.094 -0.791 0.000 1.051 351 V CA 1.964 63.808 62.300 -0.760 0.000 1.048 351 V CB -0.886 30.487 31.823 -0.749 0.000 0.666 351 V HN 0.339 nan 8.190 nan 0.000 0.456 352 N N 0.326 118.750 118.700 -0.460 0.000 2.104 352 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 352 N C 1.824 177.164 175.510 -0.283 0.000 1.024 352 N CA 1.474 54.346 53.050 -0.296 0.000 0.853 352 N CB -0.291 38.097 38.487 -0.166 0.000 1.008 352 N HN 0.585 nan 8.380 nan 0.000 0.424 353 E N 0.622 120.634 120.200 -0.313 0.000 2.058 353 E HA -0.117 4.232 4.350 -0.000 0.000 0.194 353 E C 2.079 178.467 176.600 -0.354 0.000 0.997 353 E CA 0.642 56.877 56.400 -0.274 0.000 0.801 353 E CB -0.176 29.385 29.700 -0.232 0.000 0.746 353 E HN 0.268 nan 8.360 nan 0.000 0.450 354 L N 0.231 121.103 121.223 -0.586 0.000 1.990 354 L HA -0.282 4.058 4.340 -0.000 0.000 0.213 354 L C 2.440 179.121 176.870 -0.315 0.000 1.072 354 L CA 1.768 56.279 54.840 -0.549 0.000 0.755 354 L CB -0.689 40.924 42.059 -0.744 0.000 0.889 354 L HN 0.325 nan 8.230 nan 0.000 0.432 355 H N -1.438 117.430 119.070 -0.336 0.000 2.352 355 H HA -0.190 4.366 4.556 -0.000 0.000 0.299 355 H C 2.085 177.282 175.328 -0.218 0.000 1.097 355 H CA 1.277 57.159 56.048 -0.277 0.000 1.311 355 H CB 0.035 29.644 29.762 -0.256 0.000 1.377 355 H HN 0.305 nan 8.280 nan 0.000 0.504 356 N N 1.062 119.718 118.700 -0.074 0.000 2.244 356 N HA -0.119 4.621 4.740 -0.000 0.000 0.183 356 N C 0.715 176.168 175.510 -0.094 0.000 1.016 356 N CA 1.062 54.062 53.050 -0.083 0.000 0.866 356 N CB -0.154 38.280 38.487 -0.089 0.000 0.980 356 N HN 0.359 nan 8.380 nan 0.000 0.430 357 N N -0.880 117.744 118.700 -0.126 0.000 2.383 357 N HA 0.167 4.907 4.740 -0.000 0.000 0.192 357 N C 0.469 175.904 175.510 -0.126 0.000 1.141 357 N CA 0.409 53.384 53.050 -0.124 0.000 0.851 357 N CB 0.298 38.693 38.487 -0.153 0.000 0.976 357 N HN 0.266 nan 8.380 nan 0.000 0.465 358 G N 0.631 109.357 108.800 -0.124 0.000 2.143 358 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.248 358 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.248 358 G C -0.066 174.735 174.900 -0.165 0.000 0.991 358 G CA 0.084 45.110 45.100 -0.123 0.000 0.689 358 G HN 0.360 nan 8.290 nan 0.000 0.522 359 Q N -0.779 118.894 119.800 -0.211 0.000 2.252 359 Q HA 0.748 5.087 4.340 -0.000 0.000 0.256 359 Q C -0.097 175.730 176.000 -0.289 0.000 1.020 359 Q CA -0.797 54.841 55.803 -0.275 0.000 0.913 359 Q CB 1.236 29.759 28.738 -0.358 0.000 1.286 359 Q HN 0.100 nan 8.270 nan 0.000 0.480 360 K N 0.906 121.088 120.400 -0.363 0.000 2.385 360 K HA 0.498 4.817 4.320 -0.000 0.000 0.248 360 K C -1.441 174.998 176.600 -0.268 0.000 0.955 360 K CA -0.937 55.076 56.287 -0.456 0.000 0.816 360 K CB 1.969 33.820 32.500 -1.082 0.000 1.250 360 K HN 0.381 nan 8.250 nan 0.000 0.434 361 L N 1.686 122.806 121.223 -0.171 0.000 2.313 361 L HA 0.416 4.756 4.340 -0.000 0.000 0.283 361 L C -1.197 175.710 176.870 0.061 0.000 1.013 361 L CA -0.620 54.195 54.840 -0.042 0.000 0.816 361 L CB 1.682 43.690 42.059 -0.086 0.000 1.236 361 L HN 0.295 nan 8.230 nan 0.000 0.419 362 V N 6.370 126.322 119.914 0.064 0.000 2.435 362 V HA 0.490 4.609 4.120 -0.000 0.000 0.290 362 V C 0.133 176.322 176.094 0.158 0.000 1.030 362 V CA -0.538 61.819 62.300 0.095 0.000 0.881 362 V CB 1.590 33.304 31.823 -0.182 0.000 0.983 362 V HN 0.752 nan 8.190 nan 0.000 0.445 363 I N 2.882 123.565 120.570 0.188 0.000 2.525 363 I HA 0.636 4.805 4.170 -0.000 0.000 0.301 363 I C -0.185 176.078 176.117 0.243 0.000 0.992 363 I CA -0.622 60.775 61.300 0.162 0.000 1.162 363 I CB 1.673 39.621 38.000 -0.087 0.000 1.332 363 I HN 0.523 nan 8.210 nan 0.000 0.458 364 I N 5.505 126.223 120.570 0.246 0.000 2.575 364 I HA 0.416 4.585 4.170 -0.000 0.000 0.285 364 I C -0.819 175.260 176.117 -0.063 0.000 1.085 364 I CA -0.306 60.920 61.300 -0.124 0.000 1.403 364 I CB 1.119 38.690 38.000 -0.715 0.000 1.409 364 I HN 0.464 nan 8.210 nan 0.000 0.557 365 V N 6.386 126.234 119.914 -0.111 0.000 2.612 365 V HA 0.361 4.481 4.120 -0.000 0.000 0.301 365 V C -0.893 175.215 176.094 0.023 0.000 1.059 365 V CA -0.933 61.306 62.300 -0.100 0.000 0.886 365 V CB 1.705 33.522 31.823 -0.010 0.000 1.007 365 V HN 0.622 nan 8.190 nan 0.000 0.426 366 D N 6.092 126.496 120.400 0.007 0.000 2.229 366 D HA 0.384 5.024 4.640 -0.000 0.000 0.249 366 D C -1.580 174.889 176.300 0.281 0.000 1.027 366 D CA -1.498 52.573 54.000 0.118 0.000 0.923 366 D CB 2.505 43.363 40.800 0.096 0.000 1.174 366 D HN 0.251 nan 8.370 nan 0.000 0.443 367 P HA -0.008 nan 4.420 nan 0.000 0.220 367 P C 0.132 177.634 177.300 0.338 0.000 1.152 367 P CA 0.574 63.942 63.100 0.446 0.000 0.812 367 P CB 0.295 32.341 31.700 0.576 0.000 0.792 368 A N 0.869 123.755 122.820 0.110 0.000 2.401 368 A HA 0.424 4.744 4.320 -0.000 0.000 0.259 368 A C 0.117 177.641 177.584 -0.099 0.000 1.103 368 A CA 0.022 51.928 52.037 -0.219 0.000 0.789 368 A CB -0.278 18.415 19.000 -0.511 0.000 1.035 368 A HN -0.019 nan 8.150 nan 0.000 0.491 369 I N 2.208 122.680 120.570 -0.164 0.000 2.410 369 I HA 0.181 4.351 4.170 -0.000 0.000 0.286 369 I C 0.830 176.874 176.117 -0.121 0.000 1.009 369 I CA -0.124 61.227 61.300 0.086 0.000 1.111 369 I CB 1.204 39.415 38.000 0.351 0.000 1.262 369 I HN 0.706 nan 8.210 nan 0.000 0.443 370 S N 5.343 120.988 115.700 -0.093 0.000 2.593 370 S HA -0.075 4.395 4.470 -0.000 0.000 0.300 370 S C 1.228 175.593 174.600 -0.391 0.000 1.267 370 S CA -0.033 57.985 58.200 -0.302 0.000 1.065 370 S CB 0.016 62.926 63.200 -0.483 0.000 0.807 370 S HN 0.695 nan 8.310 nan 0.000 0.499 371 N N 3.829 122.152 118.700 -0.628 0.000 2.314 371 N HA -0.018 4.722 4.740 -0.000 0.000 0.200 371 N C -0.286 174.735 175.510 -0.814 0.000 1.135 371 N CA -0.189 52.133 53.050 -1.214 0.000 0.835 371 N CB -0.416 37.501 38.487 -0.951 0.000 0.989 371 N HN 0.452 nan 8.380 nan 0.000 0.478 372 N N 0.684 119.112 118.700 -0.453 0.000 2.482 372 N HA 0.100 4.839 4.740 -0.000 0.000 0.242 372 N C -1.556 173.884 175.510 -0.117 0.000 1.100 372 N CA 0.048 52.946 53.050 -0.253 0.000 0.946 372 N CB 0.205 38.564 38.487 -0.213 0.000 1.227 372 N HN 0.175 nan 8.380 nan 0.000 0.508 373 S N 1.685 117.361 115.700 -0.040 0.000 2.575 373 S HA 0.705 5.175 4.470 -0.000 0.000 0.278 373 S C -1.048 173.615 174.600 0.104 0.000 1.139 373 S CA -0.538 57.736 58.200 0.123 0.000 0.954 373 S CB 0.447 63.847 63.200 0.332 0.000 1.054 373 S HN 0.608 nan 8.310 nan 0.000 0.483 374 S N 2.747 118.503 115.700 0.094 0.000 2.705 374 S HA 0.574 5.043 4.470 -0.000 0.000 0.280 374 S C 0.813 175.455 174.600 0.069 0.000 1.174 374 S CA -0.444 57.798 58.200 0.070 0.000 0.823 374 S CB 0.893 64.118 63.200 0.041 0.000 1.162 374 S HN 0.498 nan 8.310 nan 0.000 0.487 375 S N 1.154 116.885 115.700 0.053 0.000 2.368 375 S HA -0.107 4.363 4.470 -0.000 0.000 0.225 375 S C 2.042 176.668 174.600 0.042 0.000 1.030 375 S CA 1.694 59.921 58.200 0.046 0.000 0.999 375 S CB -0.754 62.467 63.200 0.035 0.000 0.844 375 S HN 0.758 nan 8.310 nan 0.000 0.459 376 S N 1.955 117.677 115.700 0.036 0.000 2.344 376 S HA -0.142 4.327 4.470 -0.000 0.000 0.217 376 S C 0.884 175.506 174.600 0.037 0.000 1.033 376 S CA 1.142 59.361 58.200 0.030 0.000 1.017 376 S CB -0.268 62.945 63.200 0.022 0.000 0.941 376 S HN 0.656 nan 8.310 nan 0.000 0.430 377 K N 2.161 122.587 120.400 0.042 0.000 2.484 377 K HA 0.462 4.782 4.320 -0.000 0.000 0.226 377 K C -3.011 173.642 176.600 0.089 0.000 1.031 377 K CA -2.046 54.274 56.287 0.055 0.000 1.026 377 K CB 1.495 34.016 32.500 0.036 0.000 1.412 377 K HN 0.177 nan 8.250 nan 0.000 0.492 378 P HA -0.077 nan 4.420 nan 0.000 0.271 378 P C -1.372 176.062 177.300 0.224 0.000 1.216 378 P CA -0.135 63.052 63.100 0.146 0.000 0.776 378 P CB 0.343 32.109 31.700 0.110 0.000 0.881 379 Y N 1.968 122.337 120.300 0.115 0.000 2.464 379 Y HA 0.452 5.001 4.550 -0.000 0.000 0.326 379 Y C 1.412 177.431 175.900 0.198 0.000 0.969 379 Y CA -0.351 57.829 58.100 0.134 0.000 1.270 379 Y CB 0.764 39.291 38.460 0.111 0.000 1.103 379 Y HN 0.536 nan 8.280 nan 0.000 0.491 380 G N 5.840 114.565 108.800 -0.126 0.000 2.476 380 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.218 380 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.218 380 G C -0.846 173.986 174.900 -0.114 0.000 1.164 380 G CA 0.842 45.882 45.100 -0.100 0.000 0.768 380 G HN 0.569 nan 8.290 nan 0.000 0.560 381 P HA -0.168 nan 4.420 nan 0.000 0.216 381 P C 1.409 178.978 177.300 0.449 0.000 1.153 381 P CA 1.045 64.197 63.100 0.085 0.000 0.858 381 P CB -0.116 31.599 31.700 0.025 0.000 0.789 382 Y N 0.819 121.207 120.300 0.147 0.000 2.163 382 Y HA -0.173 4.376 4.550 -0.000 0.000 0.288 382 Y C 1.829 177.914 175.900 0.308 0.000 1.136 382 Y CA 1.662 59.980 58.100 0.362 0.000 1.147 382 Y CB -0.868 37.774 38.460 0.303 0.000 0.987 382 Y HN -0.130 nan 8.280 nan 0.000 0.509 383 D N -0.076 120.400 120.400 0.127 0.000 2.104 383 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 383 D C 2.274 178.549 176.300 -0.041 0.000 0.994 383 D CA 1.586 55.588 54.000 0.004 0.000 0.830 383 D CB -0.312 40.533 40.800 0.074 0.000 0.959 383 D HN 0.359 nan 8.370 nan 0.000 0.452 384 R N 0.045 120.573 120.500 0.047 0.000 2.115 384 R HA 0.002 4.342 4.340 -0.000 0.000 0.230 384 R C 2.321 178.579 176.300 -0.070 0.000 1.111 384 R CA 1.136 57.273 56.100 0.061 0.000 0.976 384 R CB -0.333 30.070 30.300 0.172 0.000 0.870 384 R HN 0.165 nan 8.270 nan 0.000 0.445 385 G N -0.594 108.060 108.800 -0.243 0.000 2.464 385 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 385 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 385 G C 1.376 175.636 174.900 -1.068 0.000 1.138 385 G CA 0.276 44.609 45.100 -1.279 0.000 0.793 385 G HN 0.175 nan 8.290 nan 0.000 0.539 386 S N 0.669 116.101 115.700 -0.447 0.000 2.357 386 S HA -0.054 4.415 4.470 -0.000 0.000 0.221 386 S C 2.032 176.470 174.600 -0.271 0.000 1.031 386 S CA 1.037 59.070 58.200 -0.279 0.000 0.982 386 S CB -0.194 62.806 63.200 -0.334 0.000 0.853 386 S HN 0.301 nan 8.310 nan 0.000 0.458 387 D N 1.467 121.736 120.400 -0.219 0.000 2.158 387 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 387 D C 1.545 177.732 176.300 -0.188 0.000 0.995 387 D CA 1.236 55.143 54.000 -0.155 0.000 0.846 387 D CB -0.213 40.527 40.800 -0.100 0.000 0.941 387 D HN 0.407 nan 8.370 nan 0.000 0.456 388 M N -0.494 118.935 119.600 -0.284 0.000 2.556 388 M HA 0.060 4.539 4.480 -0.000 0.000 0.245 388 M C -0.033 176.054 176.300 -0.354 0.000 1.128 388 M CA 0.227 55.358 55.300 -0.283 0.000 1.069 388 M CB 0.294 32.732 32.600 -0.271 0.000 1.469 388 M HN -0.181 nan 8.290 nan 0.000 0.494 389 K N 1.098 121.239 120.400 -0.432 0.000 3.150 389 K HA -0.172 4.147 4.320 -0.000 0.000 0.267 389 K C -0.058 176.249 176.600 -0.488 0.000 1.028 389 K CA 0.349 56.404 56.287 -0.388 0.000 0.753 389 K CB -2.000 30.377 32.500 -0.205 0.000 1.288 389 K HN 0.419 nan 8.250 nan 0.000 0.473 390 I N -3.772 116.276 120.570 -0.870 0.000 3.914 390 I HA 0.203 4.372 4.170 -0.000 0.000 0.333 390 I C 0.264 175.948 176.117 -0.722 0.000 1.449 390 I CA -0.601 60.232 61.300 -0.778 0.000 1.135 390 I CB -0.260 37.274 38.000 -0.776 0.000 1.073 390 I HN 0.158 nan 8.210 nan 0.000 0.401 391 W N 0.125 121.261 121.300 -0.274 0.000 2.283 391 W HA 0.620 5.279 4.660 -0.000 0.000 0.341 391 W C 0.213 176.677 176.519 -0.092 0.000 1.206 391 W CA -1.427 55.805 57.345 -0.189 0.000 1.294 391 W CB 0.515 29.899 29.460 -0.126 0.000 1.154 391 W HN -0.310 nan 8.180 nan 0.000 0.613 392 V N 3.485 123.552 119.914 0.254 0.000 2.599 392 V HA -0.076 4.044 4.120 -0.000 0.000 0.300 392 V C 0.212 176.403 176.094 0.161 0.000 1.034 392 V CA -0.123 62.279 62.300 0.171 0.000 1.115 392 V CB -0.569 31.360 31.823 0.176 0.000 0.934 392 V HN 0.456 nan 8.190 nan 0.000 0.485 393 N N 2.438 121.201 118.700 0.105 0.000 2.472 393 N HA 0.410 5.150 4.740 -0.000 0.000 0.289 393 N C 0.019 175.564 175.510 0.057 0.000 1.156 393 N CA -0.449 52.651 53.050 0.084 0.000 0.940 393 N CB 1.466 39.992 38.487 0.065 0.000 1.200 393 N HN 0.667 nan 8.380 nan 0.000 0.511 394 S N -0.217 115.508 115.700 0.042 0.000 2.606 394 S HA -0.004 4.466 4.470 -0.000 0.000 0.257 394 S C 1.543 176.153 174.600 0.017 0.000 1.327 394 S CA -0.416 57.795 58.200 0.019 0.000 0.984 394 S CB 0.336 63.541 63.200 0.009 0.000 0.941 394 S HN 0.679 nan 8.310 nan 0.000 0.576 395 S N 1.170 116.873 115.700 0.005 0.000 2.440 395 S HA -0.220 4.250 4.470 -0.000 0.000 0.240 395 S C 1.289 175.895 174.600 0.009 0.000 1.014 395 S CA 1.523 59.726 58.200 0.005 0.000 0.980 395 S CB -0.786 62.410 63.200 -0.008 0.000 0.775 395 S HN 0.859 nan 8.310 nan 0.000 0.499 396 D N 1.563 121.969 120.400 0.009 0.000 2.351 396 D HA 0.064 4.704 4.640 -0.000 0.000 0.216 396 D C 1.511 177.822 176.300 0.018 0.000 0.968 396 D CA 0.841 54.847 54.000 0.011 0.000 0.899 396 D CB -1.353 39.453 40.800 0.009 0.000 0.907 396 D HN 0.703 nan 8.370 nan 0.000 0.514 397 G N -0.414 108.401 108.800 0.024 0.000 2.179 397 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.257 397 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.257 397 G C 0.867 175.785 174.900 0.029 0.000 1.010 397 G CA 1.399 46.518 45.100 0.031 0.000 0.736 397 G HN 1.098 nan 8.290 nan 0.000 0.513 398 V N -5.410 114.522 119.914 0.029 0.000 3.221 398 V HA 0.403 4.523 4.120 -0.000 0.000 0.254 398 V C 0.738 176.854 176.094 0.038 0.000 1.586 398 V CA 1.027 63.343 62.300 0.028 0.000 1.074 398 V CB 0.373 32.207 31.823 0.019 0.000 0.912 398 V HN 0.371 nan 8.190 nan 0.000 0.426 399 T N 3.875 118.453 114.554 0.040 0.000 2.733 399 T HA 0.523 4.872 4.350 -0.000 0.000 0.294 399 T C -2.748 171.992 174.700 0.067 0.000 0.956 399 T CA -1.162 60.967 62.100 0.048 0.000 0.987 399 T CB 1.215 70.103 68.868 0.032 0.000 0.920 399 T HN 0.208 nan 8.240 nan 0.000 0.470 400 P HA 0.012 nan 4.420 nan 0.000 0.261 400 P C -0.082 177.259 177.300 0.069 0.000 1.173 400 P CA -0.237 62.934 63.100 0.119 0.000 0.760 400 P CB 0.378 32.148 31.700 0.118 0.000 0.783 401 L N 5.037 126.317 121.223 0.096 0.000 2.410 401 L HA 0.203 4.543 4.340 -0.000 0.000 0.273 401 L C -0.169 176.769 176.870 0.113 0.000 1.152 401 L CA 0.070 54.963 54.840 0.089 0.000 0.855 401 L CB 0.049 42.156 42.059 0.080 0.000 1.129 401 L HN 0.222 nan 8.230 nan 0.000 0.463 402 I N 5.223 125.833 120.570 0.066 0.000 2.354 402 I HA 0.496 4.666 4.170 -0.000 0.000 0.292 402 I C 0.631 176.816 176.117 0.115 0.000 0.989 402 I CA -0.125 61.198 61.300 0.038 0.000 1.188 402 I CB 0.777 38.752 38.000 -0.040 0.000 1.342 402 I HN 0.722 nan 8.210 nan 0.000 0.457 403 G N 5.009 113.926 108.800 0.195 0.000 3.222 403 G HA2 0.574 4.534 3.960 -0.000 0.000 0.263 403 G HA3 0.574 4.534 3.960 -0.000 0.000 0.263 403 G C -1.372 173.550 174.900 0.036 0.000 1.312 403 G CA -0.324 44.913 45.100 0.227 0.000 0.934 403 G HN 0.551 nan 8.290 nan 0.000 0.577 404 E N -0.954 119.262 120.200 0.027 0.000 2.290 404 E HA 0.571 4.921 4.350 -0.000 0.000 0.274 404 E C -1.039 175.357 176.600 -0.341 0.000 0.889 404 E CA -0.609 55.731 56.400 -0.099 0.000 0.760 404 E CB 2.232 31.946 29.700 0.023 0.000 1.206 404 E HN 0.305 nan 8.360 nan 0.000 0.419 405 V N 2.731 122.333 119.914 -0.521 0.000 4.306 405 V HA 0.297 4.417 4.120 -0.000 0.000 0.303 405 V C 0.601 176.363 176.094 -0.553 0.000 1.454 405 V CA -0.861 60.761 62.300 -1.130 0.000 0.910 405 V CB 0.003 31.274 31.823 -0.920 0.000 1.241 405 V HN 0.912 nan 8.190 nan 0.000 0.466 406 W N 0.964 122.109 121.300 -0.258 0.000 2.358 406 W HA -0.017 4.643 4.660 -0.000 0.000 0.303 406 W C -0.424 176.073 176.519 -0.035 0.000 1.208 406 W CA 1.704 59.064 57.345 0.026 0.000 1.274 406 W CB -1.294 28.155 29.460 -0.018 0.000 1.138 406 W HN 0.498 nan 8.180 nan 0.000 0.515 407 P HA 0.279 nan 4.420 nan 0.000 0.245 407 P C 0.734 177.993 177.300 -0.068 0.000 1.206 407 P CA 1.727 64.806 63.100 -0.035 0.000 0.781 407 P CB 0.775 32.383 31.700 -0.152 0.000 0.994 408 G N -0.474 108.289 108.800 -0.063 0.000 2.250 408 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.196 408 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.196 408 G C -1.309 173.509 174.900 -0.137 0.000 1.308 408 G CA -0.798 44.259 45.100 -0.073 0.000 1.207 408 G HN 0.157 nan 8.290 nan 0.000 0.505 409 Q N 1.112 120.823 119.800 -0.148 0.000 2.361 409 Q HA 0.471 4.810 4.340 -0.000 0.000 0.276 409 Q C 0.233 176.057 176.000 -0.293 0.000 1.022 409 Q CA 1.199 56.890 55.803 -0.186 0.000 0.898 409 Q CB 0.737 29.376 28.738 -0.165 0.000 1.246 409 Q HN 0.906 nan 8.270 nan 0.000 0.410 410 T N -2.132 112.206 114.554 -0.360 0.000 2.868 410 T HA 0.636 4.986 4.350 -0.000 0.000 0.306 410 T C -0.357 173.954 174.700 -0.648 0.000 1.224 410 T CA -0.969 60.802 62.100 -0.549 0.000 1.012 410 T CB 1.145 69.589 68.868 -0.708 0.000 1.221 410 T HN 0.399 nan 8.240 nan 0.000 0.499 411 V N -0.840 118.617 119.914 -0.762 0.000 2.975 411 V HA 0.904 5.024 4.120 -0.000 0.000 0.318 411 V C -1.138 174.479 176.094 -0.794 0.000 1.077 411 V CA -1.322 60.529 62.300 -0.747 0.000 1.000 411 V CB 1.073 32.236 31.823 -1.100 0.000 1.066 411 V HN 0.867 nan 8.190 nan 0.000 0.452 412 F N 1.106 120.981 119.950 -0.126 0.000 2.493 412 F HA 0.660 5.186 4.527 -0.000 0.000 0.329 412 F C -2.441 173.513 175.800 0.258 0.000 1.126 412 F CA -2.527 55.518 58.000 0.075 0.000 0.937 412 F CB 1.986 40.998 39.000 0.021 0.000 1.146 412 F HN 0.306 nan 8.300 nan 0.000 0.442 413 P HA -0.037 nan 4.420 nan 0.000 0.266 413 P C -0.679 176.436 177.300 -0.310 0.000 1.195 413 P CA 0.054 63.071 63.100 -0.138 0.000 0.768 413 P CB 0.601 31.912 31.700 -0.648 0.000 0.838 414 D N 2.184 122.378 120.400 -0.343 0.000 2.500 414 D HA 0.084 4.724 4.640 -0.000 0.000 0.219 414 D C 0.043 176.083 176.300 -0.434 0.000 1.137 414 D CA -0.340 53.489 54.000 -0.286 0.000 0.946 414 D CB -0.321 40.385 40.800 -0.157 0.000 1.022 414 D HN 0.251 nan 8.370 nan 0.000 0.518 415 Y N 0.951 120.999 120.300 -0.421 0.000 2.616 415 Y HA -0.075 4.475 4.550 -0.000 0.000 0.296 415 Y C 2.594 178.162 175.900 -0.554 0.000 1.154 415 Y CA 1.082 58.894 58.100 -0.481 0.000 1.325 415 Y CB -0.259 37.834 38.460 -0.612 0.000 1.007 415 Y HN 0.412 nan 8.280 nan 0.000 0.542 416 T N -2.595 111.620 114.554 -0.565 0.000 3.055 416 T HA -0.073 4.277 4.350 -0.000 0.000 0.265 416 T C 0.765 175.221 174.700 -0.407 0.000 1.111 416 T CA 0.184 61.695 62.100 -0.982 0.000 1.118 416 T CB -0.330 67.656 68.868 -1.469 0.000 0.909 416 T HN 0.080 nan 8.240 nan 0.000 0.501 417 N N 2.768 121.321 118.700 -0.244 0.000 2.408 417 N HA 0.219 4.959 4.740 -0.000 0.000 0.257 417 N C -1.614 173.791 175.510 -0.175 0.000 1.064 417 N CA -2.439 50.473 53.050 -0.230 0.000 0.952 417 N CB 1.860 40.198 38.487 -0.249 0.000 1.093 417 N HN 0.027 nan 8.380 nan 0.000 0.490 418 P HA -0.185 nan 4.420 nan 0.000 0.217 418 P C 0.889 178.158 177.300 -0.051 0.000 1.148 418 P CA 1.230 64.296 63.100 -0.057 0.000 0.828 418 P CB 0.277 31.963 31.700 -0.024 0.000 0.783 419 N N -0.834 117.808 118.700 -0.097 0.000 2.289 419 N HA -0.146 4.594 4.740 -0.000 0.000 0.184 419 N C 1.880 177.376 175.510 -0.024 0.000 1.016 419 N CA 0.604 53.612 53.050 -0.070 0.000 0.872 419 N CB -0.196 38.218 38.487 -0.121 0.000 0.973 419 N HN 0.139 nan 8.380 nan 0.000 0.433 420 C N 0.513 119.780 119.300 -0.055 0.000 2.446 420 C HA 0.112 4.571 4.460 -0.000 0.000 0.277 420 C C 2.878 178.020 174.990 0.253 0.000 1.275 420 C CA 1.065 60.099 59.018 0.026 0.000 1.727 420 C CB -1.224 26.417 27.740 -0.165 0.000 2.010 420 C HN 0.527 nan 8.230 nan 0.000 0.486 421 A N 0.114 123.035 122.820 0.168 0.000 1.972 421 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 421 A C 2.278 179.995 177.584 0.222 0.000 1.169 421 A CA 2.238 54.420 52.037 0.242 0.000 0.635 421 A CB -0.720 18.357 19.000 0.128 0.000 0.810 421 A HN 0.498 nan 8.150 nan 0.000 0.446 422 V N -1.815 118.186 119.914 0.145 0.000 2.261 422 V HA -0.269 3.850 4.120 -0.000 0.000 0.246 422 V C 2.191 178.366 176.094 0.135 0.000 1.047 422 V CA 1.899 64.261 62.300 0.104 0.000 1.015 422 V CB -1.209 30.648 31.823 0.057 0.000 0.642 422 V HN 0.902 nan 8.190 nan 0.000 0.446 423 W N -0.039 121.263 121.300 0.004 0.000 2.302 423 W HA -0.274 4.385 4.660 -0.000 0.000 0.320 423 W C 2.567 179.157 176.519 0.118 0.000 1.241 423 W CA 2.049 59.389 57.345 -0.008 0.000 1.264 423 W CB -0.605 28.789 29.460 -0.110 0.000 1.154 423 W HN 0.393 nan 8.180 nan 0.000 0.483 424 W N 1.075 122.224 121.300 -0.251 0.000 2.335 424 W HA -0.274 4.386 4.660 -0.000 0.000 0.311 424 W C 2.079 178.501 176.519 -0.161 0.000 1.213 424 W CA 2.355 59.471 57.345 -0.381 0.000 1.274 424 W CB -0.687 28.866 29.460 0.156 0.000 1.148 424 W HN -0.172 nan 8.180 nan 0.000 0.498 425 T N 0.740 115.336 114.554 0.070 0.000 2.652 425 T HA -0.293 4.057 4.350 -0.000 0.000 0.267 425 T C 1.641 176.265 174.700 -0.126 0.000 1.039 425 T CA 2.238 64.328 62.100 -0.016 0.000 1.153 425 T CB -0.470 68.404 68.868 0.011 0.000 0.863 425 T HN -0.059 nan 8.240 nan 0.000 0.428 426 K N 1.260 121.558 120.400 -0.172 0.000 2.063 426 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 426 K C 2.182 178.570 176.600 -0.353 0.000 1.048 426 K CA 1.315 57.479 56.287 -0.205 0.000 0.928 426 K CB -0.328 32.082 32.500 -0.151 0.000 0.713 426 K HN 0.119 nan 8.250 nan 0.000 0.442 427 E N -0.217 119.587 120.200 -0.659 0.000 2.058 427 E HA -0.155 4.194 4.350 -0.000 0.000 0.194 427 E C 2.003 177.975 176.600 -1.047 0.000 0.997 427 E CA 1.218 56.939 56.400 -1.131 0.000 0.801 427 E CB -0.434 28.079 29.700 -1.979 0.000 0.746 427 E HN 0.342 nan 8.360 nan 0.000 0.450 428 F N 1.532 121.043 119.950 -0.731 0.000 2.186 428 F HA -0.095 4.432 4.527 -0.000 0.000 0.299 428 F C 2.414 178.204 175.800 -0.017 0.000 1.090 428 F CA 1.040 58.926 58.000 -0.190 0.000 1.307 428 F CB -0.121 38.791 39.000 -0.146 0.000 1.019 428 F HN 0.059 nan 8.300 nan 0.000 0.489 429 E N 0.307 120.514 120.200 0.012 0.000 2.038 429 E HA -0.239 4.110 4.350 -0.000 0.000 0.195 429 E C 2.336 178.941 176.600 0.008 0.000 1.000 429 E CA 1.561 57.937 56.400 -0.040 0.000 0.803 429 E CB -0.462 29.183 29.700 -0.092 0.000 0.750 429 E HN 0.373 nan 8.360 nan 0.000 0.448 430 L N -0.079 121.120 121.223 -0.040 0.000 2.046 430 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 430 L C 2.497 179.452 176.870 0.141 0.000 1.077 430 L CA 0.947 55.789 54.840 0.004 0.000 0.747 430 L CB -0.403 41.617 42.059 -0.064 0.000 0.896 430 L HN 0.134 nan 8.230 nan 0.000 0.432 431 F N -0.212 119.754 119.950 0.026 0.000 2.186 431 F HA -0.227 4.300 4.527 -0.000 0.000 0.299 431 F C 2.730 178.714 175.800 0.306 0.000 1.090 431 F CA 1.544 59.674 58.000 0.215 0.000 1.307 431 F CB -0.543 38.659 39.000 0.337 0.000 1.019 431 F HN 0.142 nan 8.300 nan 0.000 0.489 432 H N 0.265 119.439 119.070 0.173 0.000 2.456 432 H HA -0.133 4.422 4.556 -0.000 0.000 0.296 432 H C 1.657 176.847 175.328 -0.230 0.000 1.079 432 H CA 1.420 57.343 56.048 -0.208 0.000 1.322 432 H CB -0.119 29.373 29.762 -0.449 0.000 1.388 432 H HN 0.246 nan 8.280 nan 0.000 0.538 433 N N 0.736 119.398 118.700 -0.063 0.000 2.272 433 N HA -0.136 4.604 4.740 -0.000 0.000 0.185 433 N C 1.840 177.273 175.510 -0.128 0.000 1.014 433 N CA 1.125 54.126 53.050 -0.082 0.000 0.870 433 N CB -0.100 38.379 38.487 -0.014 0.000 0.975 433 N HN 0.655 nan 8.380 nan 0.000 0.433 434 Q N -0.379 119.335 119.800 -0.142 0.000 2.200 434 Q HA 0.174 4.514 4.340 -0.000 0.000 0.197 434 Q C -0.046 175.782 176.000 -0.287 0.000 0.953 434 Q CA 0.551 56.289 55.803 -0.109 0.000 0.851 434 Q CB 0.751 29.525 28.738 0.061 0.000 0.938 434 Q HN -0.009 nan 8.270 nan 0.000 0.488 435 V N 2.133 121.724 119.914 -0.538 0.000 2.376 435 V HA 0.171 4.291 4.120 -0.000 0.000 0.287 435 V C -0.659 175.059 176.094 -0.626 0.000 1.015 435 V CA -0.440 61.462 62.300 -0.662 0.000 0.834 435 V CB 1.498 32.802 31.823 -0.866 0.000 1.001 435 V HN 0.189 nan 8.190 nan 0.000 0.428 436 E N 4.992 124.813 120.200 -0.632 0.000 2.110 436 E HA 0.211 4.561 4.350 -0.000 0.000 0.300 436 E C -0.154 176.225 176.600 -0.369 0.000 1.278 436 E CA -0.286 55.651 56.400 -0.772 0.000 1.365 436 E CB 0.070 29.504 29.700 -0.443 0.000 1.283 436 E HN 0.686 nan 8.360 nan 0.000 0.490 437 F N -0.845 119.021 119.950 -0.140 0.000 2.485 437 F HA 0.184 4.711 4.527 -0.000 0.000 0.327 437 F C 0.829 176.854 175.800 0.374 0.000 1.203 437 F CA -0.305 57.754 58.000 0.098 0.000 1.295 437 F CB 0.674 39.773 39.000 0.165 0.000 1.191 437 F HN -0.025 nan 8.300 nan 0.000 0.588 438 D N -0.181 120.442 120.400 0.373 0.000 2.473 438 D HA 0.255 4.895 4.640 -0.000 0.000 0.242 438 D C 0.601 176.902 176.300 0.001 0.000 1.106 438 D CA 0.499 54.519 54.000 0.034 0.000 0.854 438 D CB 1.279 41.904 40.800 -0.292 0.000 1.192 438 D HN 0.763 nan 8.370 nan 0.000 0.503 439 G N 0.318 109.342 108.800 0.374 0.000 2.682 439 G HA2 0.650 4.609 3.960 -0.000 0.000 0.290 439 G HA3 0.650 4.609 3.960 -0.000 0.000 0.290 439 G C -1.668 173.508 174.900 0.461 0.000 1.425 439 G CA -0.583 44.785 45.100 0.446 0.000 0.807 439 G HN -0.022 nan 8.290 nan 0.000 0.482 440 I N -0.090 120.687 120.570 0.345 0.000 2.534 440 I HA 0.352 4.522 4.170 -0.000 0.000 0.288 440 I C -1.525 174.750 176.117 0.262 0.000 1.077 440 I CA -0.552 60.906 61.300 0.263 0.000 1.051 440 I CB 2.668 40.765 38.000 0.161 0.000 1.234 440 I HN 0.566 nan 8.210 nan 0.000 0.425 441 W N 9.428 130.770 121.300 0.070 0.000 2.294 441 W HA 0.626 5.286 4.660 -0.000 0.000 0.314 441 W C -0.944 175.632 176.519 0.095 0.000 1.044 441 W CA -1.844 55.518 57.345 0.028 0.000 1.284 441 W CB 0.705 30.166 29.460 0.002 0.000 1.231 441 W HN 0.338 nan 8.180 nan 0.000 0.419 442 I N 3.923 124.705 120.570 0.354 0.000 2.315 442 I HA 0.497 4.667 4.170 -0.000 0.000 0.291 442 I C -0.412 175.866 176.117 0.269 0.000 1.006 442 I CA -0.312 61.136 61.300 0.246 0.000 1.265 442 I CB 1.310 39.453 38.000 0.239 0.000 1.387 442 I HN 0.271 nan 8.210 nan 0.000 0.475 443 D N 5.608 126.080 120.400 0.121 0.000 2.493 443 D HA 0.504 5.144 4.640 -0.000 0.000 0.239 443 D C 0.328 176.727 176.300 0.165 0.000 1.049 443 D CA -0.341 53.766 54.000 0.178 0.000 1.008 443 D CB 1.384 42.146 40.800 -0.063 0.000 1.398 443 D HN 0.651 nan 8.370 nan 0.000 0.513 444 M N 0.772 120.475 119.600 0.171 0.000 2.682 444 M HA -0.217 4.263 4.480 -0.000 0.000 0.196 444 M C -0.238 176.118 176.300 0.094 0.000 0.542 444 M CA 0.486 55.860 55.300 0.123 0.000 0.593 444 M CB -2.728 29.925 32.600 0.087 0.000 2.183 444 M HN 0.583 nan 8.290 nan 0.000 0.663 445 N N -0.664 118.114 118.700 0.129 0.000 2.321 445 N HA 0.260 5.000 4.740 -0.000 0.000 0.242 445 N C 0.662 176.238 175.510 0.111 0.000 1.141 445 N CA -0.084 53.068 53.050 0.171 0.000 0.864 445 N CB 0.223 38.864 38.487 0.258 0.000 1.100 445 N HN 0.235 nan 8.380 nan 0.000 0.510 446 E N -0.046 120.155 120.200 0.002 0.000 2.110 446 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 446 E C 0.478 176.844 176.600 -0.390 0.000 0.988 446 E CA 0.581 56.920 56.400 -0.102 0.000 0.804 446 E CB 0.077 29.774 29.700 -0.006 0.000 0.745 446 E HN 0.294 nan 8.360 nan 0.000 0.458 447 V N 0.051 119.665 119.914 -0.500 0.000 2.644 447 V HA 0.267 4.387 4.120 -0.000 0.000 0.295 447 V C -0.142 175.812 176.094 -0.233 0.000 1.053 447 V CA -0.471 61.551 62.300 -0.463 0.000 0.987 447 V CB 1.812 33.014 31.823 -1.035 0.000 1.006 447 V HN 0.125 nan 8.190 nan 0.000 0.472 448 S N 5.122 120.751 115.700 -0.117 0.000 2.499 448 S HA 0.458 4.928 4.470 -0.000 0.000 0.279 448 S C -0.479 174.060 174.600 -0.101 0.000 1.219 448 S CA -0.539 57.633 58.200 -0.048 0.000 1.062 448 S CB 0.294 63.503 63.200 0.014 0.000 0.978 448 S HN 0.883 nan 8.310 nan 0.000 0.489 449 N N 3.740 122.408 118.700 -0.054 0.000 2.295 449 N HA 0.399 5.139 4.740 -0.000 0.000 0.293 449 N C -0.185 175.385 175.510 0.099 0.000 1.040 449 N CA -0.823 52.201 53.050 -0.043 0.000 0.840 449 N CB 0.595 39.043 38.487 -0.065 0.000 1.468 449 N HN 0.455 nan 8.380 nan 0.000 0.478 450 F N 0.907 120.825 119.950 -0.054 0.000 2.558 450 F HA 0.040 4.567 4.527 -0.000 0.000 0.298 450 F C 1.147 176.930 175.800 -0.028 0.000 1.119 450 F CA 0.079 58.036 58.000 -0.072 0.000 1.451 450 F CB -0.692 38.237 39.000 -0.120 0.000 1.091 450 F HN 0.285 nan 8.300 nan 0.000 0.563 451 V N -2.643 117.371 119.914 0.167 0.000 2.975 451 V HA 0.469 4.589 4.120 -0.000 0.000 0.318 451 V C -0.265 175.885 176.094 0.094 0.000 1.077 451 V CA -1.184 61.178 62.300 0.104 0.000 1.000 451 V CB 1.590 33.457 31.823 0.073 0.000 1.066 451 V HN -0.210 nan 8.190 nan 0.000 0.452 452 D N 1.741 122.200 120.400 0.098 0.000 2.365 452 D HA 0.516 5.156 4.640 -0.000 0.000 0.237 452 D C 1.085 177.494 176.300 0.181 0.000 1.190 452 D CA 1.390 55.494 54.000 0.173 0.000 0.867 452 D CB 0.720 41.642 40.800 0.204 0.000 1.050 452 D HN 1.238 nan 8.370 nan 0.000 0.491 453 G N 2.810 111.706 108.800 0.159 0.000 4.526 453 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 453 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 453 G C 0.401 175.283 174.900 -0.031 0.000 1.428 453 G CA 0.613 45.741 45.100 0.046 0.000 0.928 453 G HN 1.140 nan 8.290 nan 0.000 0.639 454 S N -1.923 113.763 115.700 -0.024 0.000 2.636 454 S HA 0.592 5.062 4.470 -0.000 0.000 0.268 454 S C 1.083 175.683 174.600 -0.000 0.000 1.159 454 S CA 0.487 58.683 58.200 -0.007 0.000 0.815 454 S CB 1.130 64.316 63.200 -0.023 0.000 1.130 454 S HN 1.891 nan 8.310 nan 0.000 0.471 455 V N -0.417 119.501 119.914 0.007 0.000 2.867 455 V HA 0.065 4.185 4.120 -0.000 0.000 0.260 455 V C 1.247 177.332 176.094 -0.015 0.000 1.099 455 V CA 1.964 64.263 62.300 -0.002 0.000 1.122 455 V CB -1.246 30.572 31.823 -0.008 0.000 0.708 455 V HN 0.748 nan 8.190 nan 0.000 0.490 456 S N 0.352 116.036 115.700 -0.027 0.000 2.582 456 S HA 0.550 5.019 4.470 -0.000 0.000 0.234 456 S C 1.186 175.748 174.600 -0.063 0.000 0.961 456 S CA 0.348 58.525 58.200 -0.039 0.000 0.953 456 S CB -0.170 63.008 63.200 -0.038 0.000 0.800 456 S HN 1.404 nan 8.310 nan 0.000 0.471 457 G N 1.017 109.776 108.800 -0.068 0.000 2.578 457 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.275 457 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.275 457 G C -0.145 174.624 174.900 -0.218 0.000 1.271 457 G CA -0.026 44.999 45.100 -0.124 0.000 0.941 457 G HN 0.581 nan 8.290 nan 0.000 0.564 458 C N -0.518 118.553 119.300 -0.381 0.000 2.563 458 C HA 0.744 5.204 4.460 -0.000 0.000 0.314 458 C C 0.717 175.514 174.990 -0.322 0.000 1.199 458 C CA -0.088 58.657 59.018 -0.456 0.000 1.564 458 C CB 1.409 28.576 27.740 -0.956 0.000 2.173 458 C HN 0.948 nan 8.230 nan 0.000 0.485 459 S N 1.546 117.121 115.700 -0.209 0.000 2.576 459 S HA 0.216 4.685 4.470 -0.000 0.000 0.276 459 S C 0.242 174.772 174.600 -0.117 0.000 1.339 459 S CA -0.113 58.009 58.200 -0.130 0.000 1.039 459 S CB 0.329 63.478 63.200 -0.085 0.000 0.902 459 S HN 0.810 nan 8.310 nan 0.000 0.516 460 T N 4.703 119.218 114.554 -0.064 0.000 2.799 460 T HA 0.395 4.745 4.350 -0.000 0.000 0.296 460 T C 0.183 174.875 174.700 -0.014 0.000 0.947 460 T CA -0.399 61.691 62.100 -0.017 0.000 1.141 460 T CB -0.591 68.281 68.868 0.007 0.000 0.891 460 T HN 0.837 nan 8.240 nan 0.000 0.533 461 N N 1.420 120.118 118.700 -0.003 0.000 3.356 461 N HA 0.124 4.864 4.740 -0.000 0.000 0.246 461 N C 0.284 175.789 175.510 -0.009 0.000 1.480 461 N CA -0.969 52.073 53.050 -0.012 0.000 0.877 461 N CB 0.238 38.705 38.487 -0.033 0.000 1.431 461 N HN 0.265 nan 8.380 nan 0.000 0.500 462 N N -0.184 118.495 118.700 -0.035 0.000 2.512 462 N HA -0.045 4.695 4.740 -0.000 0.000 0.183 462 N C 0.527 175.960 175.510 -0.127 0.000 1.073 462 N CA 0.701 53.722 53.050 -0.049 0.000 0.911 462 N CB -0.025 38.430 38.487 -0.054 0.000 0.964 462 N HN 0.600 nan 8.380 nan 0.000 0.447 463 L N 0.288 121.418 121.223 -0.154 0.000 2.130 463 L HA 0.059 4.398 4.340 -0.000 0.000 0.200 463 L C 1.637 178.553 176.870 0.078 0.000 1.075 463 L CA 0.921 55.628 54.840 -0.221 0.000 0.768 463 L CB -0.533 41.407 42.059 -0.198 0.000 0.933 463 L HN 0.089 nan 8.230 nan 0.000 0.451 464 N N -0.023 118.729 118.700 0.088 0.000 2.331 464 N HA -0.067 4.673 4.740 -0.000 0.000 0.180 464 N C 0.092 175.799 175.510 0.329 0.000 1.019 464 N CA 0.669 53.847 53.050 0.214 0.000 0.881 464 N CB 0.187 38.671 38.487 -0.006 0.000 0.972 464 N HN 0.288 nan 8.380 nan 0.000 0.435 465 N N 0.689 119.501 118.700 0.187 0.000 2.752 465 N HA 0.187 4.927 4.740 -0.000 0.000 0.260 465 N C -2.892 172.671 175.510 0.089 0.000 1.562 465 N CA -0.743 52.405 53.050 0.162 0.000 0.788 465 N CB 1.648 40.233 38.487 0.164 0.000 1.192 465 N HN 0.123 nan 8.380 nan 0.000 0.503 466 P HA 0.222 nan 4.420 nan 0.000 0.272 466 P C -1.809 175.552 177.300 0.102 0.000 1.240 466 P CA -0.707 62.453 63.100 0.100 0.000 0.791 466 P CB 0.823 32.630 31.700 0.179 0.000 0.978 467 P HA -0.072 nan 4.420 nan 0.000 0.216 467 P C 0.116 177.581 177.300 0.276 0.000 1.153 467 P CA 1.448 64.700 63.100 0.253 0.000 0.858 467 P CB -0.028 31.881 31.700 0.347 0.000 0.789 468 F N -0.658 119.272 119.950 -0.033 0.000 2.529 468 F HA 0.450 4.977 4.527 -0.000 0.000 0.320 468 F C -0.793 174.935 175.800 -0.120 0.000 1.118 468 F CA -0.636 57.218 58.000 -0.244 0.000 0.915 468 F CB 1.458 40.094 39.000 -0.607 0.000 1.161 468 F HN -0.410 nan 8.300 nan 0.000 0.445 469 T N 7.471 121.515 114.554 -0.851 0.000 2.770 469 T HA 0.425 4.775 4.350 -0.000 0.000 0.283 469 T C -2.599 171.450 174.700 -1.085 0.000 0.988 469 T CA -1.289 60.370 62.100 -0.735 0.000 0.957 469 T CB 1.456 70.034 68.868 -0.484 0.000 0.930 469 T HN 0.305 nan 8.240 nan 0.000 0.443 470 P HA 0.143 nan 4.420 nan 0.000 0.271 470 P C 0.267 177.382 177.300 -0.309 0.000 1.233 470 P CA -0.644 62.220 63.100 -0.392 0.000 0.789 470 P CB 0.433 32.067 31.700 -0.110 0.000 0.951 471 R N 2.086 122.485 120.500 -0.168 0.000 4.980 471 R HA 0.132 4.472 4.340 -0.000 0.000 0.190 471 R C 0.549 176.800 176.300 -0.081 0.000 2.095 471 R CA -0.123 55.897 56.100 -0.133 0.000 1.717 471 R CB -1.433 28.810 30.300 -0.095 0.000 1.337 471 R HN 0.457 nan 8.270 nan 0.000 0.820 472 I N -1.716 118.794 120.570 -0.101 0.000 2.836 472 I HA 0.066 4.236 4.170 -0.000 0.000 0.285 472 I C 0.312 176.410 176.117 -0.031 0.000 1.174 472 I CA -0.867 60.413 61.300 -0.033 0.000 1.405 472 I CB 0.370 38.338 38.000 -0.053 0.000 1.385 472 I HN 0.098 nan 8.210 nan 0.000 0.594 473 L N 6.613 127.848 121.223 0.021 0.000 2.601 473 L HA -0.004 4.336 4.340 -0.000 0.000 0.277 473 L C 0.498 177.369 176.870 0.003 0.000 1.219 473 L CA 1.240 56.090 54.840 0.018 0.000 0.915 473 L CB -0.706 41.379 42.059 0.043 0.000 1.160 473 L HN 0.891 nan 8.230 nan 0.000 0.494 474 D N 2.775 123.173 120.400 -0.004 0.000 2.653 474 D HA -0.226 4.414 4.640 -0.000 0.000 0.184 474 D C 1.103 177.400 176.300 -0.006 0.000 0.993 474 D CA 1.419 55.426 54.000 0.013 0.000 1.027 474 D CB -1.293 39.525 40.800 0.031 0.000 1.089 474 D HN 1.281 nan 8.370 nan 0.000 0.447 475 G N 0.201 108.940 108.800 -0.103 0.000 2.153 475 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.252 475 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.252 475 G C -0.156 174.488 174.900 -0.427 0.000 0.994 475 G CA 0.896 45.844 45.100 -0.252 0.000 0.698 475 G HN 0.482 nan 8.290 nan 0.000 0.521 476 Y N -1.408 118.704 120.300 -0.313 0.000 2.442 476 Y HA 0.537 5.087 4.550 -0.000 0.000 0.344 476 Y C 1.450 177.050 175.900 -0.499 0.000 0.976 476 Y CA -1.025 56.784 58.100 -0.485 0.000 1.040 476 Y CB 1.430 39.397 38.460 -0.821 0.000 1.228 476 Y HN -0.068 nan 8.280 nan 0.000 0.451 477 L N 1.929 122.988 121.223 -0.273 0.000 2.083 477 L HA -0.222 4.118 4.340 -0.000 0.000 0.209 477 L C 1.631 178.501 176.870 -0.000 0.000 1.083 477 L CA 1.747 56.438 54.840 -0.248 0.000 0.752 477 L CB -0.341 41.592 42.059 -0.209 0.000 0.899 477 L HN 0.740 nan 8.230 nan 0.000 0.433 478 F N -2.208 117.794 119.950 0.087 0.000 2.773 478 F HA 0.194 4.721 4.527 -0.000 0.000 0.304 478 F C 1.100 176.927 175.800 0.044 0.000 1.129 478 F CA -1.425 56.611 58.000 0.060 0.000 1.378 478 F CB -1.584 37.432 39.000 0.027 0.000 1.095 478 F HN -0.099 nan 8.300 nan 0.000 0.565 479 C N 4.939 124.101 119.300 -0.229 0.000 2.648 479 C HA 0.088 4.548 4.460 -0.000 0.000 0.406 479 C C 1.241 176.249 174.990 0.030 0.000 1.406 479 C CA -0.388 58.561 59.018 -0.115 0.000 1.610 479 C CB -1.433 26.241 27.740 -0.109 0.000 2.451 479 C HN 0.673 nan 8.230 nan 0.000 0.608 480 K N 3.483 123.919 120.400 0.060 0.000 3.069 480 K HA -0.172 4.148 4.320 -0.000 0.000 0.267 480 K C 0.158 176.795 176.600 0.062 0.000 1.082 480 K CA 1.382 57.717 56.287 0.081 0.000 0.782 480 K CB -2.022 30.533 32.500 0.092 0.000 1.230 480 K HN 0.950 nan 8.250 nan 0.000 0.488 481 T N -1.373 113.214 114.554 0.056 0.000 2.598 481 T HA 0.645 4.995 4.350 -0.000 0.000 0.289 481 T C -0.767 173.899 174.700 -0.055 0.000 1.056 481 T CA -0.801 61.296 62.100 -0.004 0.000 1.088 481 T CB 1.000 69.933 68.868 0.108 0.000 1.519 481 T HN 0.112 nan 8.240 nan 0.000 0.488 482 L N 1.320 122.470 121.223 -0.121 0.000 2.418 482 L HA 0.423 4.762 4.340 -0.000 0.000 0.265 482 L C 0.549 177.431 176.870 0.021 0.000 1.143 482 L CA -1.023 53.723 54.840 -0.157 0.000 0.809 482 L CB 0.551 42.444 42.059 -0.277 0.000 1.124 482 L HN 0.700 nan 8.230 nan 0.000 0.456 483 C N 2.472 121.765 119.300 -0.011 0.000 2.502 483 C HA -0.072 4.388 4.460 -0.000 0.000 0.404 483 C C 2.068 177.100 174.990 0.070 0.000 1.409 483 C CA -0.402 58.618 59.018 0.004 0.000 1.648 483 C CB 0.014 27.717 27.740 -0.062 0.000 2.571 483 C HN 0.743 nan 8.230 nan 0.000 0.601 484 M N 2.688 122.366 119.600 0.129 0.000 2.374 484 M HA -0.054 4.426 4.480 -0.000 0.000 0.264 484 M C 1.617 177.995 176.300 0.131 0.000 1.067 484 M CA 1.475 56.889 55.300 0.190 0.000 1.103 484 M CB -0.949 31.825 32.600 0.290 0.000 1.402 484 M HN 0.823 nan 8.290 nan 0.000 0.444 485 D N -0.210 120.222 120.400 0.052 0.000 2.339 485 D HA 0.206 4.846 4.640 -0.000 0.000 0.217 485 D C 0.558 176.872 176.300 0.024 0.000 1.050 485 D CA -0.027 53.987 54.000 0.022 0.000 0.856 485 D CB -0.504 40.287 40.800 -0.015 0.000 0.922 485 D HN 0.088 nan 8.370 nan 0.000 0.518 486 A N 0.123 122.962 122.820 0.031 0.000 2.507 486 A HA 0.400 4.720 4.320 -0.000 0.000 0.235 486 A C -0.004 177.610 177.584 0.051 0.000 1.070 486 A CA -0.224 51.832 52.037 0.032 0.000 0.768 486 A CB 0.545 19.555 19.000 0.017 0.000 1.011 486 A HN 0.121 nan 8.150 nan 0.000 0.502 487 V N 2.823 122.770 119.914 0.054 0.000 2.483 487 V HA 0.396 4.516 4.120 -0.000 0.000 0.297 487 V C -0.036 176.101 176.094 0.072 0.000 1.027 487 V CA -0.359 61.978 62.300 0.062 0.000 0.855 487 V CB 1.153 33.008 31.823 0.053 0.000 0.995 487 V HN 1.046 nan 8.190 nan 0.000 0.424 488 Q N 1.311 121.161 119.800 0.083 0.000 2.552 488 Q HA 0.423 4.763 4.340 -0.000 0.000 0.289 488 Q C 0.888 176.960 176.000 0.121 0.000 1.097 488 Q CA -0.865 54.984 55.803 0.077 0.000 0.812 488 Q CB 2.031 30.801 28.738 0.053 0.000 1.460 488 Q HN 0.829 nan 8.270 nan 0.000 0.452 489 H N 0.128 119.195 119.070 -0.006 0.000 2.387 489 H HA -0.146 4.409 4.556 -0.000 0.000 0.299 489 H C 0.544 176.017 175.328 0.242 0.000 1.099 489 H CA 1.721 57.801 56.048 0.053 0.000 1.315 489 H CB 0.404 30.148 29.762 -0.030 0.000 1.380 489 H HN 0.621 nan 8.280 nan 0.000 0.513 490 W N 0.879 122.137 121.300 -0.069 0.000 2.905 490 W HA 0.303 4.962 4.660 -0.000 0.000 0.251 490 W C 1.171 177.728 176.519 0.064 0.000 1.305 490 W CA 1.223 58.540 57.345 -0.047 0.000 1.465 490 W CB -0.133 29.358 29.460 0.051 0.000 1.122 490 W HN 0.458 nan 8.180 nan 0.000 0.659 491 G N -0.311 108.632 108.800 0.238 0.000 2.302 491 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.276 491 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.276 491 G C -0.989 173.962 174.900 0.085 0.000 1.316 491 G CA -1.227 43.959 45.100 0.143 0.000 0.988 491 G HN -0.150 nan 8.290 nan 0.000 0.479 492 K N 0.021 120.442 120.400 0.036 0.000 2.237 492 K HA 0.324 4.644 4.320 -0.000 0.000 0.270 492 K C 1.335 177.967 176.600 0.053 0.000 1.015 492 K CA -0.133 56.183 56.287 0.047 0.000 0.949 492 K CB 1.385 33.913 32.500 0.047 0.000 0.976 492 K HN 0.548 nan 8.250 nan 0.000 0.472 493 Q N 1.798 121.657 119.800 0.098 0.000 2.173 493 Q HA -0.278 4.062 4.340 -0.000 0.000 0.208 493 Q C 1.480 177.587 176.000 0.179 0.000 0.989 493 Q CA 1.828 57.716 55.803 0.142 0.000 0.872 493 Q CB -0.364 28.461 28.738 0.144 0.000 0.909 493 Q HN 0.702 nan 8.270 nan 0.000 0.420 494 Y N 0.565 120.885 120.300 0.034 0.000 2.151 494 Y HA -0.284 4.266 4.550 -0.000 0.000 0.284 494 Y C 1.462 177.339 175.900 -0.037 0.000 1.166 494 Y CA 2.356 60.471 58.100 0.024 0.000 1.163 494 Y CB -0.072 38.379 38.460 -0.015 0.000 0.974 494 Y HN 0.259 nan 8.280 nan 0.000 0.511 495 D N -0.360 119.974 120.400 -0.110 0.000 2.240 495 D HA -0.016 4.624 4.640 -0.000 0.000 0.206 495 D C 1.741 177.767 176.300 -0.456 0.000 0.963 495 D CA 1.667 55.336 54.000 -0.552 0.000 0.863 495 D CB -0.023 39.957 40.800 -1.367 0.000 0.973 495 D HN 0.657 nan 8.370 nan 0.000 0.501 496 I N -2.350 118.108 120.570 -0.186 0.000 4.025 496 I HA 0.160 4.330 4.170 -0.000 0.000 0.336 496 I C 1.887 178.050 176.117 0.077 0.000 1.390 496 I CA -0.283 61.025 61.300 0.013 0.000 1.099 496 I CB -0.034 38.072 38.000 0.176 0.000 1.049 496 I HN -0.133 nan 8.210 nan 0.000 0.394 497 H N 3.074 122.143 119.070 -0.002 0.000 2.321 497 H HA -0.242 4.314 4.556 -0.000 0.000 0.295 497 H C 1.094 176.380 175.328 -0.070 0.000 1.102 497 H CA 2.625 58.655 56.048 -0.030 0.000 1.266 497 H CB -0.138 29.583 29.762 -0.068 0.000 1.363 497 H HN 0.573 nan 8.280 nan 0.000 0.492 498 N N 0.043 118.704 118.700 -0.065 0.000 2.573 498 N HA -0.042 4.698 4.740 -0.000 0.000 0.187 498 N C 1.311 176.753 175.510 -0.113 0.000 1.107 498 N CA 0.107 53.109 53.050 -0.081 0.000 0.918 498 N CB 0.178 38.725 38.487 0.099 0.000 0.966 498 N HN 0.364 nan 8.380 nan 0.000 0.448 499 L N -0.988 120.168 121.223 -0.112 0.000 2.640 499 L HA 0.080 4.420 4.340 -0.000 0.000 0.230 499 L C 1.497 178.438 176.870 0.119 0.000 1.123 499 L CA -0.119 54.718 54.840 -0.005 0.000 0.900 499 L CB -0.177 41.946 42.059 0.107 0.000 1.146 499 L HN 0.179 nan 8.230 nan 0.000 0.484 500 Y N 1.694 121.961 120.300 -0.056 0.000 2.097 500 Y HA -0.223 4.327 4.550 -0.000 0.000 0.282 500 Y C 2.390 178.278 175.900 -0.021 0.000 1.152 500 Y CA 2.055 60.123 58.100 -0.054 0.000 1.136 500 Y CB -0.223 38.154 38.460 -0.139 0.000 0.975 500 Y HN 0.128 nan 8.280 nan 0.000 0.498 501 G N -1.706 107.208 108.800 0.189 0.000 2.422 501 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.218 501 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.218 501 G C 1.497 176.433 174.900 0.060 0.000 1.140 501 G CA 0.882 46.061 45.100 0.132 0.000 0.775 501 G HN 0.582 nan 8.290 nan 0.000 0.545 502 Y N 2.765 123.070 120.300 0.008 0.000 2.133 502 Y HA -0.198 4.352 4.550 -0.000 0.000 0.287 502 Y C 3.107 178.923 175.900 -0.139 0.000 1.134 502 Y CA 2.075 60.188 58.100 0.022 0.000 1.133 502 Y CB -0.378 38.176 38.460 0.158 0.000 0.987 502 Y HN 0.288 nan 8.280 nan 0.000 0.502 503 S N 0.013 115.615 115.700 -0.164 0.000 2.402 503 S HA -0.280 4.190 4.470 -0.000 0.000 0.229 503 S C 2.165 176.432 174.600 -0.555 0.000 1.021 503 S CA 1.343 59.289 58.200 -0.423 0.000 0.974 503 S CB -0.813 62.070 63.200 -0.529 0.000 0.800 503 S HN 0.684 nan 8.310 nan 0.000 0.484 504 M N 1.663 120.879 119.600 -0.639 0.000 2.086 504 M HA 0.004 4.484 4.480 -0.000 0.000 0.261 504 M C 2.358 178.298 176.300 -0.601 0.000 1.067 504 M CA 1.695 56.401 55.300 -0.992 0.000 1.116 504 M CB -0.537 31.559 32.600 -0.839 0.000 1.348 504 M HN 0.489 nan 8.290 nan 0.000 0.407 505 A N -0.403 122.179 122.820 -0.396 0.000 1.902 505 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 505 A C 2.031 179.335 177.584 -0.467 0.000 1.181 505 A CA 1.769 53.636 52.037 -0.284 0.000 0.623 505 A CB -1.150 17.764 19.000 -0.144 0.000 0.818 505 A HN 0.413 nan 8.150 nan 0.000 0.443 506 V N 0.019 119.427 119.914 -0.844 0.000 2.252 506 V HA -0.320 3.799 4.120 -0.000 0.000 0.249 506 V C 3.070 178.887 176.094 -0.461 0.000 1.056 506 V CA 2.210 63.878 62.300 -1.052 0.000 1.022 506 V CB -1.337 29.871 31.823 -1.025 0.000 0.641 506 V HN 0.625 nan 8.190 nan 0.000 0.445 507 A N -0.437 122.181 122.820 -0.336 0.000 1.933 507 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 507 A C 2.369 180.031 177.584 0.131 0.000 1.175 507 A CA 2.454 54.438 52.037 -0.088 0.000 0.628 507 A CB -0.928 18.012 19.000 -0.100 0.000 0.814 507 A HN 0.534 nan 8.150 nan 0.000 0.444 508 T N 0.148 114.759 114.554 0.095 0.000 2.867 508 T HA 0.069 4.419 4.350 -0.000 0.000 0.268 508 T C 2.162 176.877 174.700 0.026 0.000 1.057 508 T CA 1.276 63.489 62.100 0.190 0.000 1.136 508 T CB -0.320 68.662 68.868 0.189 0.000 0.874 508 T HN 0.576 nan 8.240 nan 0.000 0.466 509 A N 1.428 124.252 122.820 0.008 0.000 1.930 509 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 509 A C 2.206 179.828 177.584 0.063 0.000 1.175 509 A CA 1.734 53.809 52.037 0.064 0.000 0.627 509 A CB -0.512 18.603 19.000 0.192 0.000 0.815 509 A HN 0.436 nan 8.150 nan 0.000 0.443 510 E N 0.430 120.655 120.200 0.041 0.000 2.051 510 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 510 E C 2.062 178.685 176.600 0.039 0.000 0.991 510 E CA 1.671 58.100 56.400 0.048 0.000 0.799 510 E CB -0.514 29.213 29.700 0.045 0.000 0.748 510 E HN 0.458 nan 8.360 nan 0.000 0.449 511 A N 0.892 123.739 122.820 0.044 0.000 1.917 511 A HA -0.205 4.114 4.320 -0.000 0.000 0.219 511 A C 2.462 179.984 177.584 -0.104 0.000 1.182 511 A CA 2.504 54.510 52.037 -0.052 0.000 0.633 511 A CB -1.215 17.675 19.000 -0.183 0.000 0.819 511 A HN 0.415 nan 8.150 nan 0.000 0.448 512 A N -0.476 122.327 122.820 -0.029 0.000 2.019 512 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 512 A C 2.035 179.669 177.584 0.083 0.000 1.164 512 A CA 1.777 53.889 52.037 0.124 0.000 0.644 512 A CB -0.428 18.707 19.000 0.224 0.000 0.805 512 A HN 0.605 nan 8.150 nan 0.000 0.449 513 K N -0.998 119.422 120.400 0.035 0.000 2.147 513 K HA -0.094 4.226 4.320 -0.000 0.000 0.205 513 K C 1.872 178.455 176.600 -0.028 0.000 1.049 513 K CA 1.747 58.048 56.287 0.023 0.000 0.936 513 K CB -0.220 32.296 32.500 0.026 0.000 0.722 513 K HN 0.479 nan 8.250 nan 0.000 0.446 514 T N 0.320 114.827 114.554 -0.078 0.000 2.901 514 T HA -0.021 4.328 4.350 -0.000 0.000 0.252 514 T C 1.986 176.531 174.700 -0.258 0.000 1.035 514 T CA 0.646 62.667 62.100 -0.131 0.000 1.142 514 T CB 0.081 68.882 68.868 -0.112 0.000 0.869 514 T HN -0.091 nan 8.240 nan 0.000 0.442 515 V N 0.669 120.327 119.914 -0.427 0.000 2.453 515 V HA 0.041 4.161 4.120 -0.000 0.000 0.247 515 V C 0.443 175.857 176.094 -1.134 0.000 1.048 515 V CA 1.232 62.988 62.300 -0.907 0.000 1.049 515 V CB -0.534 30.570 31.823 -1.198 0.000 0.672 515 V HN 0.422 nan 8.190 nan 0.000 0.457 516 F N 1.219 121.041 119.950 -0.213 0.000 2.531 516 F HA 0.439 4.966 4.527 -0.000 0.000 0.333 516 F C -2.459 173.286 175.800 -0.092 0.000 1.292 516 F CA -3.186 54.721 58.000 -0.156 0.000 1.184 516 F CB 0.085 39.026 39.000 -0.098 0.000 1.426 516 F HN 0.011 nan 8.300 nan 0.000 0.559 517 P HA 0.014 nan 4.420 nan 0.000 0.264 517 P C 0.112 177.433 177.300 0.035 0.000 1.193 517 P CA 0.532 63.637 63.100 0.008 0.000 0.763 517 P CB 0.602 32.287 31.700 -0.025 0.000 0.810 518 N N -0.727 117.994 118.700 0.036 0.000 2.828 518 N HA -0.148 4.592 4.740 -0.000 0.000 0.248 518 N C -0.168 175.363 175.510 0.035 0.000 1.044 518 N CA 1.279 54.348 53.050 0.031 0.000 0.851 518 N CB -1.204 37.295 38.487 0.021 0.000 1.136 518 N HN 0.535 nan 8.380 nan 0.000 0.572 519 K N 0.696 121.133 120.400 0.061 0.000 2.221 519 K HA 0.399 4.719 4.320 -0.000 0.000 0.243 519 K C 1.316 177.935 176.600 0.030 0.000 0.968 519 K CA -0.649 55.669 56.287 0.051 0.000 0.846 519 K CB 1.523 34.072 32.500 0.081 0.000 1.141 519 K HN 0.031 nan 8.250 nan 0.000 0.434 520 R N 0.472 120.963 120.500 -0.014 0.000 2.093 520 R HA -0.058 4.282 4.340 -0.000 0.000 0.224 520 R C 1.054 177.316 176.300 -0.064 0.000 1.101 520 R CA 0.954 57.024 56.100 -0.051 0.000 0.979 520 R CB -0.068 30.168 30.300 -0.106 0.000 0.877 520 R HN 0.895 nan 8.270 nan 0.000 0.441 521 S N -0.762 114.886 115.700 -0.087 0.000 3.790 521 S HA -0.313 4.157 4.470 -0.000 0.000 0.628 521 S C -0.630 173.951 174.600 -0.031 0.000 2.348 521 S CA 1.172 59.285 58.200 -0.145 0.000 3.927 521 S CB -0.882 62.044 63.200 -0.458 0.000 0.236 521 S HN 0.314 nan 8.310 nan 0.000 0.953 522 F N 0.739 120.589 119.950 -0.168 0.000 2.639 522 F HA 0.692 5.219 4.527 -0.000 0.000 0.326 522 F C -1.360 174.410 175.800 -0.051 0.000 1.150 522 F CA -0.629 57.262 58.000 -0.181 0.000 1.057 522 F CB 0.741 39.605 39.000 -0.226 0.000 1.300 522 F HN 0.568 nan 8.300 nan 0.000 0.486 523 I N 7.054 127.218 120.570 -0.676 0.000 2.447 523 I HA 0.430 4.600 4.170 -0.000 0.000 0.287 523 I C -1.547 174.055 176.117 -0.858 0.000 1.023 523 I CA -1.022 59.963 61.300 -0.524 0.000 1.083 523 I CB 1.894 39.775 38.000 -0.198 0.000 1.245 523 I HN 0.498 nan 8.210 nan 0.000 0.434 524 L N 6.411 127.234 121.223 -0.666 0.000 2.313 524 L HA 0.634 4.974 4.340 -0.000 0.000 0.283 524 L C -0.292 176.610 176.870 0.054 0.000 1.013 524 L CA 0.302 54.860 54.840 -0.470 0.000 0.816 524 L CB 1.734 43.499 42.059 -0.490 0.000 1.236 524 L HN 0.588 nan 8.230 nan 0.000 0.419 525 T N 3.779 118.422 114.554 0.149 0.000 2.885 525 T HA 0.434 4.784 4.350 -0.000 0.000 0.285 525 T C 0.797 175.732 174.700 0.392 0.000 1.019 525 T CA -0.424 61.853 62.100 0.296 0.000 1.010 525 T CB 1.528 70.494 68.868 0.162 0.000 1.022 525 T HN 0.838 nan 8.240 nan 0.000 0.466 526 R N 1.902 122.589 120.500 0.311 0.000 2.046 526 R HA 0.204 4.543 4.340 -0.000 0.000 0.223 526 R C 0.923 177.251 176.300 0.048 0.000 1.179 526 R CA 0.463 56.491 56.100 -0.120 0.000 0.952 526 R CB -0.406 29.718 30.300 -0.292 0.000 0.843 526 R HN 0.572 nan 8.270 nan 0.000 0.439 527 S N 0.217 115.982 115.700 0.109 0.000 2.549 527 S HA 0.146 4.616 4.470 -0.000 0.000 0.279 527 S C -0.428 174.258 174.600 0.142 0.000 1.321 527 S CA -0.202 58.083 58.200 0.141 0.000 1.054 527 S CB 0.790 64.071 63.200 0.135 0.000 0.899 527 S HN 0.446 nan 8.310 nan 0.000 0.497 528 T N 2.070 116.714 114.554 0.149 0.000 2.883 528 T HA 0.740 5.090 4.350 -0.000 0.000 0.296 528 T C -1.048 173.833 174.700 0.301 0.000 1.117 528 T CA -0.713 61.513 62.100 0.211 0.000 1.006 528 T CB 1.272 70.228 68.868 0.147 0.000 1.191 528 T HN 0.497 nan 8.240 nan 0.000 0.508 529 F N 0.700 120.749 119.950 0.165 0.000 2.664 529 F HA 0.767 5.294 4.527 -0.000 0.000 0.329 529 F C -0.109 175.749 175.800 0.096 0.000 1.090 529 F CA -1.038 57.011 58.000 0.082 0.000 0.978 529 F CB 1.362 40.356 39.000 -0.010 0.000 1.378 529 F HN 1.035 nan 8.300 nan 0.000 0.495 530 A N 1.465 123.893 122.820 -0.652 0.000 2.566 530 A HA 0.406 4.726 4.320 -0.000 0.000 0.245 530 A C 1.077 178.690 177.584 0.047 0.000 1.056 530 A CA 1.092 52.911 52.037 -0.363 0.000 0.757 530 A CB -1.326 17.352 19.000 -0.537 0.000 0.979 530 A HN 2.068 nan 8.150 nan 0.000 0.508 531 G N 1.768 110.599 108.800 0.051 0.000 2.176 531 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.232 531 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.232 531 G C 1.289 176.415 174.900 0.378 0.000 0.986 531 G CA 0.766 45.993 45.100 0.212 0.000 0.643 531 G HN 1.051 nan 8.290 nan 0.000 0.522 532 S N 0.315 116.275 115.700 0.433 0.000 2.400 532 S HA -0.006 4.464 4.470 -0.000 0.000 0.232 532 S C 2.491 177.242 174.600 0.252 0.000 1.025 532 S CA 1.890 60.351 58.200 0.436 0.000 0.993 532 S CB -0.483 62.933 63.200 0.360 0.000 0.808 532 S HN 1.341 nan 8.310 nan 0.000 0.478 533 G N 1.162 110.044 108.800 0.136 0.000 2.498 533 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 533 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 533 G C 1.206 176.049 174.900 -0.095 0.000 1.119 533 G CA 0.855 45.980 45.100 0.042 0.000 0.766 533 G HN 0.509 nan 8.290 nan 0.000 0.552 534 K N -0.717 119.539 120.400 -0.240 0.000 2.360 534 K HA 0.021 4.341 4.320 -0.000 0.000 0.201 534 K C 1.198 177.326 176.600 -0.786 0.000 1.046 534 K CA 0.993 56.922 56.287 -0.597 0.000 0.945 534 K CB -0.130 31.842 32.500 -0.880 0.000 0.750 534 K HN 0.404 nan 8.250 nan 0.000 0.464 535 F N -1.224 118.689 119.950 -0.061 0.000 2.784 535 F HA 0.408 4.935 4.527 -0.000 0.000 0.316 535 F C 0.264 175.994 175.800 -0.116 0.000 1.026 535 F CA -0.332 57.615 58.000 -0.089 0.000 1.188 535 F CB 0.885 39.816 39.000 -0.115 0.000 0.999 535 F HN -0.077 nan 8.300 nan 0.000 0.605 536 A N 0.190 123.038 122.820 0.047 0.000 2.572 536 A HA 0.833 5.153 4.320 -0.000 0.000 0.295 536 A C -0.737 176.789 177.584 -0.097 0.000 1.072 536 A CA -0.413 51.583 52.037 -0.068 0.000 0.691 536 A CB 0.556 19.548 19.000 -0.014 0.000 1.291 536 A HN 0.141 nan 8.150 nan 0.000 0.404 537 A N 0.373 123.036 122.820 -0.261 0.000 2.296 537 A HA 0.637 4.956 4.320 -0.000 0.000 0.264 537 A C -0.124 177.376 177.584 -0.140 0.000 1.097 537 A CA 0.218 52.115 52.037 -0.234 0.000 0.811 537 A CB 0.106 18.837 19.000 -0.449 0.000 1.072 537 A HN 1.557 nan 8.150 nan 0.000 0.495 538 H N -1.369 117.565 119.070 -0.227 0.000 2.717 538 H HA 0.552 5.107 4.556 -0.000 0.000 0.366 538 H C -1.190 174.067 175.328 -0.117 0.000 1.132 538 H CA -0.764 55.162 56.048 -0.204 0.000 1.180 538 H CB 1.063 30.606 29.762 -0.365 0.000 1.678 538 H HN 0.851 nan 8.280 nan 0.000 0.537 539 W N 5.585 126.325 121.300 -0.934 0.000 2.799 539 W HA 0.440 5.099 4.660 -0.000 0.000 0.349 539 W C -0.942 175.014 176.519 -0.939 0.000 1.100 539 W CA -1.176 55.757 57.345 -0.687 0.000 1.174 539 W CB 0.960 30.263 29.460 -0.261 0.000 1.427 539 W HN 0.514 nan 8.180 nan 0.000 0.547 540 L N 4.027 124.873 121.223 -0.628 0.000 2.610 540 L HA 0.315 4.654 4.340 -0.000 0.000 0.232 540 L C 1.211 177.861 176.870 -0.366 0.000 1.149 540 L CA 0.868 55.454 54.840 -0.423 0.000 0.872 540 L CB -1.311 40.709 42.059 -0.066 0.000 0.992 540 L HN 1.015 nan 8.230 nan 0.000 0.447 541 G N 0.093 108.320 108.800 -0.955 0.000 2.512 541 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.210 541 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.210 541 G C -0.920 173.953 174.900 -0.046 0.000 1.295 541 G CA -0.617 44.027 45.100 -0.760 0.000 0.934 541 G HN 0.134 nan 8.290 nan 0.000 0.554 542 D N 2.463 122.915 120.400 0.087 0.000 2.508 542 D HA 0.317 4.957 4.640 -0.000 0.000 0.224 542 D C 1.198 177.697 176.300 0.333 0.000 1.171 542 D CA 0.032 54.094 54.000 0.102 0.000 1.006 542 D CB -0.307 40.590 40.800 0.161 0.000 1.073 542 D HN 0.634 nan 8.370 nan 0.000 0.513 543 N N 0.072 118.980 118.700 0.347 0.000 2.328 543 N HA 0.254 4.993 4.740 -0.000 0.000 0.277 543 N C -0.160 175.569 175.510 0.365 0.000 1.286 543 N CA -0.269 53.002 53.050 0.369 0.000 0.949 543 N CB 0.300 39.019 38.487 0.386 0.000 1.136 543 N HN -0.083 nan 8.380 nan 0.000 0.550 544 T N -1.490 113.251 114.554 0.311 0.000 2.909 544 T HA 0.650 5.000 4.350 -0.000 0.000 0.299 544 T C -0.553 174.271 174.700 0.208 0.000 1.073 544 T CA -0.578 61.642 62.100 0.201 0.000 0.999 544 T CB 1.519 70.495 68.868 0.181 0.000 1.098 544 T HN 0.701 nan 8.240 nan 0.000 0.477 545 A N 2.783 125.658 122.820 0.090 0.000 3.048 545 A HA 0.503 4.823 4.320 -0.000 0.000 0.264 545 A C 0.796 178.429 177.584 0.082 0.000 1.796 545 A CA -0.267 51.840 52.037 0.117 0.000 1.445 545 A CB -1.234 17.760 19.000 -0.011 0.000 1.074 545 A HN 0.809 nan 8.150 nan 0.000 0.621 546 T N -4.205 110.399 114.554 0.084 0.000 2.906 546 T HA 0.425 4.775 4.350 -0.000 0.000 0.295 546 T C 0.446 175.019 174.700 -0.212 0.000 1.061 546 T CA -0.716 61.369 62.100 -0.026 0.000 1.000 546 T CB 0.698 69.566 68.868 0.000 0.000 1.103 546 T HN 0.423 nan 8.240 nan 0.000 0.486 547 W N 0.818 122.025 121.300 -0.155 0.000 2.331 547 W HA -0.029 4.631 4.660 -0.000 0.000 0.291 547 W C 1.783 178.052 176.519 -0.417 0.000 1.214 547 W CA 1.227 58.416 57.345 -0.260 0.000 1.228 547 W CB -0.525 28.831 29.460 -0.174 0.000 1.135 547 W HN 0.742 nan 8.180 nan 0.000 0.537 548 D N 0.265 120.468 120.400 -0.328 0.000 2.092 548 D HA -0.177 4.463 4.640 -0.000 0.000 0.193 548 D C 1.399 176.937 176.300 -1.270 0.000 0.994 548 D CA 1.876 55.318 54.000 -0.931 0.000 0.828 548 D CB -0.646 39.496 40.800 -1.097 0.000 0.963 548 D HN 0.157 nan 8.370 nan 0.000 0.450 549 D N -0.218 119.758 120.400 -0.705 0.000 2.178 549 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 549 D C 1.937 178.037 176.300 -0.333 0.000 0.980 549 D CA 0.307 54.157 54.000 -0.250 0.000 0.842 549 D CB -0.100 40.809 40.800 0.182 0.000 0.948 549 D HN 0.083 nan 8.370 nan 0.000 0.472 550 L N 0.919 121.662 121.223 -0.800 0.000 1.976 550 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 550 L C 1.959 178.567 176.870 -0.438 0.000 1.071 550 L CA 1.763 55.916 54.840 -1.145 0.000 0.746 550 L CB -0.336 40.936 42.059 -1.311 0.000 0.890 550 L HN -0.142 nan 8.230 nan 0.000 0.432 551 R N -1.293 119.023 120.500 -0.306 0.000 2.091 551 R HA -0.219 4.120 4.340 -0.000 0.000 0.238 551 R C 2.043 178.449 176.300 0.176 0.000 1.136 551 R CA 1.971 58.036 56.100 -0.059 0.000 0.959 551 R CB -0.610 29.662 30.300 -0.046 0.000 0.856 551 R HN 0.485 nan 8.270 nan 0.000 0.437 552 W N 0.709 122.062 121.300 0.089 0.000 2.465 552 W HA -0.052 4.608 4.660 -0.000 0.000 0.268 552 W C 2.451 179.053 176.519 0.137 0.000 1.242 552 W CA 0.985 58.409 57.345 0.132 0.000 1.248 552 W CB -1.079 28.463 29.460 0.136 0.000 1.118 552 W HN 0.207 nan 8.180 nan 0.000 0.587 553 S N 0.315 116.204 115.700 0.316 0.000 2.382 553 S HA -0.204 4.266 4.470 -0.000 0.000 0.228 553 S C 1.827 176.560 174.600 0.222 0.000 1.027 553 S CA 1.331 59.691 58.200 0.267 0.000 0.991 553 S CB -0.857 62.529 63.200 0.310 0.000 0.823 553 S HN 0.206 nan 8.310 nan 0.000 0.469 554 I N 2.741 123.445 120.570 0.223 0.000 2.099 554 I HA -0.083 4.087 4.170 -0.000 0.000 0.239 554 I C -0.676 175.479 176.117 0.063 0.000 1.066 554 I CA 1.220 62.590 61.300 0.117 0.000 1.324 554 I CB -1.355 36.727 38.000 0.137 0.000 1.037 554 I HN 0.247 nan 8.210 nan 0.000 0.401 555 P HA -0.171 nan 4.420 nan 0.000 0.216 555 P C 1.581 178.987 177.300 0.178 0.000 1.150 555 P CA 1.912 65.126 63.100 0.190 0.000 0.843 555 P CB -0.300 31.578 31.700 0.297 0.000 0.787 556 G N -0.482 108.431 108.800 0.189 0.000 2.418 556 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 556 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 556 G C 1.638 176.691 174.900 0.255 0.000 1.158 556 G CA 0.682 45.926 45.100 0.241 0.000 0.771 556 G HN 0.159 nan 8.290 nan 0.000 0.545 557 V N 0.991 120.976 119.914 0.120 0.000 2.343 557 V HA -0.127 3.993 4.120 -0.000 0.000 0.247 557 V C 2.929 179.026 176.094 0.005 0.000 1.051 557 V CA 1.456 63.795 62.300 0.064 0.000 1.036 557 V CB -0.435 31.362 31.823 -0.044 0.000 0.654 557 V HN 0.341 nan 8.190 nan 0.000 0.451 558 L N -0.430 120.724 121.223 -0.114 0.000 2.046 558 L HA -0.215 4.124 4.340 -0.000 0.000 0.208 558 L C 2.563 179.361 176.870 -0.121 0.000 1.077 558 L CA 1.762 56.463 54.840 -0.231 0.000 0.747 558 L CB -0.635 41.042 42.059 -0.636 0.000 0.896 558 L HN 0.366 nan 8.230 nan 0.000 0.432 559 E N -0.292 119.884 120.200 -0.041 0.000 2.077 559 E HA -0.214 4.135 4.350 -0.000 0.000 0.193 559 E C 2.064 178.123 176.600 -0.902 0.000 0.989 559 E CA 1.375 57.559 56.400 -0.360 0.000 0.800 559 E CB -0.129 29.466 29.700 -0.176 0.000 0.746 559 E HN 0.326 nan 8.360 nan 0.000 0.452 560 F N 1.219 121.004 119.950 -0.275 0.000 2.293 560 F HA -0.106 4.421 4.527 -0.000 0.000 0.300 560 F C 2.050 177.813 175.800 -0.061 0.000 1.086 560 F CA 0.784 58.752 58.000 -0.052 0.000 1.375 560 F CB -0.060 39.045 39.000 0.174 0.000 1.045 560 F HN 0.048 nan 8.300 nan 0.000 0.516 561 N N 0.382 119.088 118.700 0.010 0.000 2.142 561 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 561 N C 2.002 177.476 175.510 -0.060 0.000 1.023 561 N CA 1.065 54.101 53.050 -0.022 0.000 0.852 561 N CB -0.296 38.157 38.487 -0.058 0.000 0.998 561 N HN 0.292 nan 8.380 nan 0.000 0.424 562 L N 0.234 121.369 121.223 -0.147 0.000 2.079 562 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 562 L C 1.454 178.341 176.870 0.027 0.000 1.081 562 L CA 1.093 55.904 54.840 -0.050 0.000 0.752 562 L CB -0.491 41.530 42.059 -0.064 0.000 0.896 562 L HN 0.102 nan 8.230 nan 0.000 0.433 563 F N 0.140 120.105 119.950 0.026 0.000 2.811 563 F HA 0.214 4.741 4.527 -0.000 0.000 0.301 563 F C 1.844 177.640 175.800 -0.006 0.000 1.151 563 F CA 0.179 58.183 58.000 0.006 0.000 1.412 563 F CB -1.197 37.711 39.000 -0.154 0.000 1.113 563 F HN 0.186 nan 8.300 nan 0.000 0.579 564 G N 1.096 109.958 108.800 0.103 0.000 2.147 564 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.244 564 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.244 564 G C 0.214 175.149 174.900 0.059 0.000 1.005 564 G CA 0.122 45.214 45.100 -0.014 0.000 0.713 564 G HN 0.409 nan 8.290 nan 0.000 0.515 565 I N 0.910 121.589 120.570 0.182 0.000 2.778 565 I HA 0.216 4.386 4.170 -0.000 0.000 0.285 565 I C -1.042 175.207 176.117 0.220 0.000 1.236 565 I CA -2.113 59.324 61.300 0.229 0.000 1.089 565 I CB 1.351 39.589 38.000 0.396 0.000 1.601 565 I HN -0.079 nan 8.210 nan 0.000 0.573 566 P HA -0.125 nan 4.420 nan 0.000 0.222 566 P C 0.846 178.291 177.300 0.242 0.000 1.153 566 P CA 0.835 63.993 63.100 0.098 0.000 0.798 566 P CB 0.379 32.014 31.700 -0.108 0.000 0.796 567 M N 1.206 121.032 119.600 0.376 0.000 2.557 567 M HA 0.264 4.744 4.480 -0.000 0.000 0.328 567 M C -1.030 175.401 176.300 0.218 0.000 1.423 567 M CA -0.037 55.481 55.300 0.364 0.000 1.418 567 M CB -0.247 32.487 32.600 0.223 0.000 1.381 567 M HN -0.287 nan 8.290 nan 0.000 0.467 568 V N 4.156 124.228 119.914 0.264 0.000 3.012 568 V HA 1.019 5.139 4.120 -0.000 0.000 0.307 568 V C -0.666 175.550 176.094 0.203 0.000 1.166 568 V CA 0.005 62.411 62.300 0.177 0.000 0.974 568 V CB 2.299 34.210 31.823 0.146 0.000 1.040 568 V HN 0.829 nan 8.190 nan 0.000 0.428 569 G N 5.390 114.273 108.800 0.138 0.000 2.576 569 G HA2 0.694 4.654 3.960 -0.000 0.000 0.290 569 G HA3 0.694 4.654 3.960 -0.000 0.000 0.290 569 G C -3.558 171.281 174.900 -0.103 0.000 1.442 569 G CA -0.635 44.394 45.100 -0.119 0.000 0.792 569 G HN 0.664 nan 8.290 nan 0.000 0.491 570 P HA 0.360 nan 4.420 nan 0.000 0.306 570 P C -1.069 176.246 177.300 0.026 0.000 1.309 570 P CA -0.473 62.626 63.100 -0.002 0.000 0.759 570 P CB 1.232 32.994 31.700 0.104 0.000 1.314 571 D N 0.270 120.730 120.400 0.099 0.000 2.344 571 D HA 0.255 4.895 4.640 -0.000 0.000 0.253 571 D C 0.438 176.512 176.300 -0.376 0.000 1.255 571 D CA 0.136 54.121 54.000 -0.026 0.000 0.894 571 D CB -0.336 40.566 40.800 0.170 0.000 1.067 571 D HN 0.215 nan 8.370 nan 0.000 0.492 572 I N 1.659 121.985 120.570 -0.405 0.000 2.710 572 I HA -0.132 4.038 4.170 -0.000 0.000 0.286 572 I C 1.059 176.682 176.117 -0.824 0.000 1.181 572 I CA -0.007 60.854 61.300 -0.732 0.000 1.430 572 I CB 0.385 38.268 38.000 -0.196 0.000 1.367 572 I HN 0.614 nan 8.210 nan 0.000 0.577 573 c N 3.812 121.577 118.600 -1.391 0.000 5.538 573 c HA -0.115 4.455 4.570 -0.000 0.000 0.254 573 c C 0.822 174.556 174.090 -0.593 0.000 1.712 573 c CA 0.235 56.177 56.329 -0.644 0.000 1.530 573 c CB -2.463 39.934 42.510 -0.188 0.000 2.410 573 c HN 1.527 nan 8.230 nan 0.000 0.564 574 G N -1.141 107.171 108.800 -0.814 0.000 3.209 574 G HA2 0.102 4.062 3.960 -0.000 0.000 0.686 574 G HA3 0.102 4.062 3.960 -0.000 0.000 0.686 574 G C -0.303 174.549 174.900 -0.080 0.000 1.065 574 G CA 0.077 45.002 45.100 -0.291 0.000 0.812 574 G HN 1.078 nan 8.290 nan 0.000 0.573 575 F N 2.822 122.725 119.950 -0.078 0.000 2.014 575 F HA 0.406 4.933 4.527 -0.000 0.000 0.295 575 F C 2.060 177.834 175.800 -0.042 0.000 1.145 575 F CA 2.444 60.434 58.000 -0.017 0.000 1.178 575 F CB -0.355 38.731 39.000 0.142 0.000 0.972 575 F HN 1.153 nan 8.300 nan 0.000 0.476 576 A N 0.965 123.761 122.820 -0.040 0.000 2.388 576 A HA 0.514 4.833 4.320 -0.000 0.000 0.257 576 A C -0.731 176.431 177.584 -0.703 0.000 1.095 576 A CA -0.290 51.514 52.037 -0.388 0.000 0.791 576 A CB -0.053 18.961 19.000 0.022 0.000 1.029 576 A HN 0.594 nan 8.150 nan 0.000 0.489 577 L N 0.649 120.889 121.223 -1.638 0.000 0.584 577 L HA -0.133 4.206 4.340 -0.000 0.000 0.356 577 L C -0.631 175.863 176.870 -0.627 0.000 0.987 577 L CA 0.098 54.341 54.840 -0.995 0.000 1.223 577 L CB -1.128 40.728 42.059 -0.339 0.000 0.010 577 L HN 0.888 nan 8.230 nan 0.000 0.091 578 D N 0.609 120.878 120.400 -0.219 0.000 2.458 578 D HA 0.282 4.922 4.640 -0.000 0.000 0.243 578 D C 0.462 176.747 176.300 -0.025 0.000 1.146 578 D CA 0.311 54.288 54.000 -0.039 0.000 0.877 578 D CB 0.698 41.517 40.800 0.032 0.000 1.176 578 D HN 0.570 nan 8.370 nan 0.000 0.461 579 T N 2.312 116.884 114.554 0.030 0.000 2.806 579 T HA 0.387 4.737 4.350 -0.000 0.000 0.290 579 T C -2.428 172.360 174.700 0.145 0.000 0.966 579 T CA -1.902 60.244 62.100 0.076 0.000 1.060 579 T CB 0.651 69.576 68.868 0.095 0.000 0.927 579 T HN 0.045 nan 8.240 nan 0.000 0.485 580 P HA 0.137 nan 4.420 nan 0.000 0.268 580 P C 0.904 178.306 177.300 0.169 0.000 1.205 580 P CA -0.272 62.923 63.100 0.159 0.000 0.771 580 P CB 0.564 32.369 31.700 0.176 0.000 0.858 581 E N 2.814 123.145 120.200 0.219 0.000 2.097 581 E HA -0.285 4.065 4.350 -0.000 0.000 0.196 581 E C 1.421 178.018 176.600 -0.004 0.000 1.000 581 E CA 1.738 58.204 56.400 0.110 0.000 0.804 581 E CB 0.015 29.825 29.700 0.184 0.000 0.740 581 E HN 0.593 nan 8.360 nan 0.000 0.454 582 E N -0.030 120.238 120.200 0.113 0.000 2.072 582 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 582 E C 2.447 179.132 176.600 0.142 0.000 0.985 582 E CA 0.918 57.424 56.400 0.177 0.000 0.801 582 E CB -0.149 29.734 29.700 0.305 0.000 0.750 582 E HN 0.216 nan 8.360 nan 0.000 0.452 583 L N 0.960 122.197 121.223 0.023 0.000 2.017 583 L HA -0.178 4.161 4.340 -0.000 0.000 0.208 583 L C 2.554 179.286 176.870 -0.229 0.000 1.073 583 L CA 1.924 56.436 54.840 -0.547 0.000 0.745 583 L CB -0.961 40.693 42.059 -0.675 0.000 0.894 583 L HN 0.322 nan 8.230 nan 0.000 0.432 584 c N 0.003 118.546 118.600 -0.096 0.000 2.429 584 c HA -0.173 4.396 4.570 -0.000 0.000 0.277 584 c C 3.090 177.105 174.090 -0.125 0.000 1.262 584 c CA 1.211 57.488 56.329 -0.087 0.000 1.733 584 c CB -0.923 41.477 42.510 -0.185 0.000 2.010 584 c HN 0.725 nan 8.230 nan 0.000 0.483 585 R N 0.070 120.463 120.500 -0.178 0.000 2.080 585 R HA -0.111 4.229 4.340 -0.000 0.000 0.236 585 R C 2.446 178.736 176.300 -0.016 0.000 1.137 585 R CA 1.624 57.656 56.100 -0.114 0.000 0.943 585 R CB -0.309 29.939 30.300 -0.088 0.000 0.846 585 R HN 0.375 nan 8.270 nan 0.000 0.431 586 R N -0.208 120.292 120.500 -0.000 0.000 2.096 586 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 586 R C 1.914 178.231 176.300 0.028 0.000 1.127 586 R CA 1.014 57.121 56.100 0.011 0.000 0.968 586 R CB -0.917 29.410 30.300 0.046 0.000 0.861 586 R HN 0.467 nan 8.270 nan 0.000 0.440 587 W N 0.830 122.040 121.300 -0.150 0.000 2.388 587 W HA -0.025 4.635 4.660 -0.000 0.000 0.294 587 W C 1.771 178.273 176.519 -0.029 0.000 1.212 587 W CA 0.727 58.022 57.345 -0.083 0.000 1.271 587 W CB -0.182 29.221 29.460 -0.094 0.000 1.126 587 W HN -0.007 nan 8.180 nan 0.000 0.535 588 M N 0.198 119.914 119.600 0.193 0.000 2.175 588 M HA -0.189 4.291 4.480 -0.000 0.000 0.264 588 M C 1.917 178.256 176.300 0.065 0.000 1.063 588 M CA 1.495 56.850 55.300 0.091 0.000 1.119 588 M CB -1.405 31.189 32.600 -0.009 0.000 1.377 588 M HN 0.129 nan 8.290 nan 0.000 0.415 589 Q N -0.148 119.680 119.800 0.047 0.000 2.030 589 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 589 Q C 2.082 178.076 176.000 -0.010 0.000 0.986 589 Q CA 1.346 57.130 55.803 -0.031 0.000 0.843 589 Q CB -0.384 28.283 28.738 -0.118 0.000 0.904 589 Q HN 0.308 nan 8.270 nan 0.000 0.420 590 L N 0.476 121.696 121.223 -0.005 0.000 2.046 590 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 590 L C 2.096 178.876 176.870 -0.150 0.000 1.077 590 L CA 2.270 57.084 54.840 -0.043 0.000 0.747 590 L CB -1.068 40.937 42.059 -0.090 0.000 0.896 590 L HN 0.208 nan 8.230 nan 0.000 0.432 591 G N -1.021 107.747 108.800 -0.053 0.000 2.462 591 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 591 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 591 G C 1.548 176.490 174.900 0.070 0.000 1.121 591 G CA 0.665 45.779 45.100 0.023 0.000 0.758 591 G HN 0.643 nan 8.290 nan 0.000 0.559 592 A N -0.329 122.464 122.820 -0.045 0.000 2.178 592 A HA 0.242 4.562 4.320 -0.000 0.000 0.218 592 A C 1.453 178.672 177.584 -0.608 0.000 1.157 592 A CA 0.816 52.677 52.037 -0.293 0.000 0.689 592 A CB -0.353 18.392 19.000 -0.426 0.000 0.787 592 A HN 0.365 nan 8.150 nan 0.000 0.465 593 F N -3.158 116.879 119.950 0.146 0.000 2.781 593 F HA 0.312 4.838 4.527 -0.000 0.000 0.322 593 F C -0.263 175.954 175.800 0.695 0.000 1.108 593 F CA -1.097 57.117 58.000 0.357 0.000 1.179 593 F CB 0.101 39.041 39.000 -0.099 0.000 1.072 593 F HN 0.030 nan 8.300 nan 0.000 0.545 594 Y N 2.073 122.737 120.300 0.606 0.000 2.411 594 Y HA 0.172 4.722 4.550 -0.000 0.000 0.333 594 Y C -1.225 174.931 175.900 0.427 0.000 1.186 594 Y CA -2.664 55.711 58.100 0.458 0.000 1.381 594 Y CB -0.141 38.490 38.460 0.285 0.000 1.273 594 Y HN -0.129 nan 8.280 nan 0.000 0.546 595 P HA -0.202 nan 4.420 nan 0.000 0.216 595 P C -0.104 177.449 177.300 0.422 0.000 1.153 595 P CA 1.391 64.728 63.100 0.395 0.000 0.858 595 P CB 0.133 32.025 31.700 0.320 0.000 0.789 596 F N 0.176 120.257 119.950 0.218 0.000 2.391 596 F HA 0.491 5.018 4.527 -0.000 0.000 0.359 596 F C -0.004 175.866 175.800 0.117 0.000 1.122 596 F CA -1.279 56.770 58.000 0.082 0.000 1.120 596 F CB 0.687 39.694 39.000 0.010 0.000 1.142 596 F HN -0.317 nan 8.300 nan 0.000 0.483 597 S N 7.829 123.309 115.700 -0.366 0.000 2.528 597 S HA 0.492 4.962 4.470 -0.000 0.000 0.303 597 S C -0.643 173.624 174.600 -0.554 0.000 1.123 597 S CA -0.619 57.485 58.200 -0.161 0.000 1.138 597 S CB -0.106 63.237 63.200 0.238 0.000 0.984 597 S HN 0.851 nan 8.310 nan 0.000 0.474 598 R N 3.917 123.969 120.500 -0.745 0.000 2.575 598 R HA 0.354 4.693 4.340 -0.000 0.000 0.293 598 R C -1.284 174.761 176.300 -0.426 0.000 0.983 598 R CA -0.665 54.949 56.100 -0.810 0.000 0.887 598 R CB 0.869 30.474 30.300 -1.158 0.000 1.184 598 R HN 0.535 nan 8.270 nan 0.000 0.445 599 N N 2.829 121.313 118.700 -0.360 0.000 2.414 599 N HA 0.104 4.844 4.740 -0.000 0.000 0.256 599 N C -1.578 173.876 175.510 -0.093 0.000 1.029 599 N CA 0.074 53.051 53.050 -0.123 0.000 0.948 599 N CB 0.820 39.362 38.487 0.091 0.000 1.102 599 N HN 0.638 nan 8.380 nan 0.000 0.496 600 H N 2.203 121.173 119.070 -0.166 0.000 2.895 600 H HA 0.544 5.100 4.556 -0.000 0.000 0.373 600 H C -1.421 173.954 175.328 0.078 0.000 1.174 600 H CA -0.717 55.292 56.048 -0.066 0.000 1.144 600 H CB 1.181 30.852 29.762 -0.151 0.000 1.793 600 H HN 0.555 nan 8.280 nan 0.000 0.551 601 N N 1.533 119.977 118.700 -0.426 0.000 2.277 601 N HA 0.448 5.188 4.740 -0.000 0.000 0.286 601 N C -0.403 174.828 175.510 -0.464 0.000 1.140 601 N CA 0.017 52.888 53.050 -0.299 0.000 0.799 601 N CB 2.257 40.652 38.487 -0.154 0.000 1.596 601 N HN 0.872 nan 8.380 nan 0.000 0.473 602 G N 0.175 108.591 108.800 -0.640 0.000 2.621 602 G HA2 0.201 4.161 3.960 -0.000 0.000 0.271 602 G HA3 0.201 4.161 3.960 -0.000 0.000 0.271 602 G C -0.578 174.060 174.900 -0.437 0.000 1.236 602 G CA -0.354 44.246 45.100 -0.833 0.000 0.958 602 G HN 0.693 nan 8.290 nan 0.000 0.512 603 Q N -0.545 118.868 119.800 -0.644 0.000 2.289 603 Q HA 0.404 4.743 4.340 -0.000 0.000 0.273 603 Q C 1.213 176.664 176.000 -0.914 0.000 1.029 603 Q CA 0.856 56.138 55.803 -0.868 0.000 0.896 603 Q CB 0.240 28.223 28.738 -1.259 0.000 1.182 603 Q HN 1.286 nan 8.270 nan 0.000 0.385 604 G N 2.679 111.086 108.800 -0.655 0.000 2.268 604 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.240 604 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.240 604 G C -0.559 174.065 174.900 -0.460 0.000 1.010 604 G CA 0.156 44.925 45.100 -0.552 0.000 0.618 604 G HN 0.635 nan 8.290 nan 0.000 0.516 605 Y N 1.868 122.052 120.300 -0.194 0.000 2.330 605 Y HA 0.444 4.993 4.550 -0.000 0.000 0.341 605 Y C 1.257 177.078 175.900 -0.133 0.000 1.278 605 Y CA -0.268 57.741 58.100 -0.152 0.000 1.453 605 Y CB 0.427 38.785 38.460 -0.170 0.000 1.342 605 Y HN 0.437 nan 8.280 nan 0.000 0.590 606 K N 1.501 121.945 120.400 0.073 0.000 2.469 606 K HA -0.047 4.273 4.320 -0.000 0.000 0.274 606 K C -0.837 175.735 176.600 -0.046 0.000 0.983 606 K CA -0.600 55.677 56.287 -0.017 0.000 0.974 606 K CB 0.329 32.810 32.500 -0.030 0.000 0.913 606 K HN 0.520 nan 8.250 nan 0.000 0.493 607 D N 2.369 122.713 120.400 -0.093 0.000 2.472 607 D HA -0.095 4.545 4.640 -0.000 0.000 0.237 607 D C 0.429 176.649 176.300 -0.134 0.000 1.141 607 D CA 0.616 54.558 54.000 -0.096 0.000 0.875 607 D CB 0.807 41.544 40.800 -0.105 0.000 1.192 607 D HN 0.670 nan 8.370 nan 0.000 0.450 608 Q N 0.105 119.895 119.800 -0.016 0.000 2.057 608 Q HA 0.071 4.411 4.340 -0.000 0.000 0.216 608 Q C -0.623 175.543 176.000 0.277 0.000 0.788 608 Q CA -0.599 55.298 55.803 0.157 0.000 1.053 608 Q CB 0.296 29.136 28.738 0.170 0.000 1.210 608 Q HN 0.473 nan 8.270 nan 0.000 0.455 609 D N 1.097 121.594 120.400 0.162 0.000 2.423 609 D HA 0.027 4.667 4.640 -0.000 0.000 0.238 609 D C -1.815 174.641 176.300 0.259 0.000 1.142 609 D CA -1.163 52.944 54.000 0.179 0.000 0.884 609 D CB 1.531 42.408 40.800 0.128 0.000 1.199 609 D HN -0.136 nan 8.370 nan 0.000 0.438 610 P HA -0.148 nan 4.420 nan 0.000 0.215 610 P C 1.283 178.726 177.300 0.237 0.000 1.153 610 P CA 2.086 65.306 63.100 0.202 0.000 0.853 610 P CB 0.021 31.726 31.700 0.009 0.000 0.788 611 A N -0.187 122.711 122.820 0.130 0.000 2.119 611 A HA -0.108 4.211 4.320 -0.000 0.000 0.217 611 A C 2.242 179.881 177.584 0.092 0.000 1.153 611 A CA 1.589 53.686 52.037 0.100 0.000 0.692 611 A CB -1.497 17.540 19.000 0.061 0.000 0.799 611 A HN 0.314 nan 8.150 nan 0.000 0.458 612 S N -0.978 114.761 115.700 0.065 0.000 2.469 612 S HA -0.091 4.379 4.470 -0.000 0.000 0.238 612 S C 1.337 175.825 174.600 -0.187 0.000 0.998 612 S CA 1.017 59.166 58.200 -0.085 0.000 0.957 612 S CB -0.785 62.302 63.200 -0.190 0.000 0.764 612 S HN 0.418 nan 8.310 nan 0.000 0.514 613 F N 2.410 122.370 119.950 0.017 0.000 2.780 613 F HA 0.401 4.928 4.527 -0.000 0.000 0.299 613 F C 1.561 177.370 175.800 0.016 0.000 1.146 613 F CA 0.532 58.543 58.000 0.018 0.000 1.428 613 F CB -0.125 38.886 39.000 0.019 0.000 1.115 613 F HN 0.518 nan 8.300 nan 0.000 0.583 614 G N -0.434 108.446 108.800 0.134 0.000 2.841 614 G HA2 0.188 4.148 3.960 -0.000 0.000 0.684 614 G HA3 0.188 4.148 3.960 -0.000 0.000 0.684 614 G C 0.365 175.310 174.900 0.076 0.000 1.273 614 G CA -0.708 44.442 45.100 0.084 0.000 0.811 614 G HN 0.243 nan 8.290 nan 0.000 0.631 615 A N 0.724 123.573 122.820 0.049 0.000 2.070 615 A HA 0.167 4.487 4.320 -0.000 0.000 0.220 615 A C 1.726 179.330 177.584 0.033 0.000 1.159 615 A CA 2.289 54.350 52.037 0.039 0.000 0.656 615 A CB -0.131 18.886 19.000 0.029 0.000 0.800 615 A HN 1.312 nan 8.150 nan 0.000 0.453 616 D N -0.541 119.880 120.400 0.034 0.000 2.501 616 D HA 0.069 4.709 4.640 -0.000 0.000 0.224 616 D C 0.363 176.682 176.300 0.032 0.000 1.202 616 D CA 0.441 54.457 54.000 0.026 0.000 0.829 616 D CB -0.720 40.092 40.800 0.020 0.000 1.023 616 D HN 0.322 nan 8.370 nan 0.000 0.499 617 S N -0.076 115.655 115.700 0.052 0.000 2.593 617 S HA 0.118 4.588 4.470 -0.000 0.000 0.269 617 S C 1.228 175.849 174.600 0.034 0.000 1.334 617 S CA -0.754 57.482 58.200 0.061 0.000 1.015 617 S CB 1.734 65.004 63.200 0.116 0.000 0.912 617 S HN 0.083 nan 8.310 nan 0.000 0.541 618 L N 1.978 123.216 121.223 0.024 0.000 2.083 618 L HA 0.058 4.398 4.340 -0.000 0.000 0.209 618 L C 2.188 179.051 176.870 -0.011 0.000 1.083 618 L CA 1.497 56.340 54.840 0.005 0.000 0.752 618 L CB -0.750 41.313 42.059 0.007 0.000 0.899 618 L HN 0.916 nan 8.230 nan 0.000 0.433 619 L N -1.567 119.633 121.223 -0.038 0.000 2.027 619 L HA -0.196 4.143 4.340 -0.000 0.000 0.206 619 L C 2.413 179.243 176.870 -0.068 0.000 1.074 619 L CA 1.413 56.184 54.840 -0.116 0.000 0.745 619 L CB -0.263 41.587 42.059 -0.348 0.000 0.898 619 L HN 0.371 nan 8.230 nan 0.000 0.433 620 L N 0.530 121.748 121.223 -0.008 0.000 2.017 620 L HA -0.232 4.107 4.340 -0.000 0.000 0.208 620 L C 2.227 179.090 176.870 -0.013 0.000 1.073 620 L CA 1.818 56.661 54.840 0.004 0.000 0.745 620 L CB -0.928 41.157 42.059 0.043 0.000 0.894 620 L HN 0.328 nan 8.230 nan 0.000 0.432 621 N N -1.047 117.650 118.700 -0.005 0.000 2.142 621 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 621 N C 2.057 177.565 175.510 -0.003 0.000 1.023 621 N CA 1.470 54.514 53.050 -0.011 0.000 0.852 621 N CB -0.424 38.051 38.487 -0.020 0.000 0.998 621 N HN 0.395 nan 8.380 nan 0.000 0.424 622 S N 0.058 115.765 115.700 0.013 0.000 2.383 622 S HA 0.001 4.471 4.470 -0.000 0.000 0.227 622 S C 2.040 176.718 174.600 0.131 0.000 1.026 622 S CA 1.011 59.260 58.200 0.082 0.000 0.981 622 S CB -0.140 63.131 63.200 0.119 0.000 0.818 622 S HN 0.238 nan 8.310 nan 0.000 0.472 623 S N 1.124 116.844 115.700 0.034 0.000 2.356 623 S HA -0.086 4.384 4.470 -0.000 0.000 0.223 623 S C 1.928 176.472 174.600 -0.093 0.000 1.032 623 S CA 1.269 59.446 58.200 -0.039 0.000 1.005 623 S CB -0.401 62.726 63.200 -0.123 0.000 0.867 623 S HN 0.542 nan 8.310 nan 0.000 0.449 624 R N 0.372 120.819 120.500 -0.089 0.000 2.081 624 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 624 R C 2.407 178.642 176.300 -0.109 0.000 1.131 624 R CA 1.524 57.555 56.100 -0.115 0.000 0.960 624 R CB -0.461 29.794 30.300 -0.075 0.000 0.856 624 R HN 0.557 nan 8.270 nan 0.000 0.436 625 H N -0.649 118.316 119.070 -0.176 0.000 2.290 625 H HA -0.207 4.349 4.556 -0.000 0.000 0.298 625 H C 1.528 176.650 175.328 -0.344 0.000 1.087 625 H CA 2.386 58.264 56.048 -0.284 0.000 1.291 625 H CB -0.199 29.320 29.762 -0.406 0.000 1.369 625 H HN 0.335 nan 8.280 nan 0.000 0.492 626 Y N 0.315 120.581 120.300 -0.056 0.000 2.286 626 Y HA -0.083 4.467 4.550 -0.000 0.000 0.293 626 Y C 2.960 178.723 175.900 -0.229 0.000 1.124 626 Y CA 0.366 58.408 58.100 -0.097 0.000 1.178 626 Y CB -0.031 38.464 38.460 0.058 0.000 1.010 626 Y HN 0.089 nan 8.280 nan 0.000 0.536 627 L N -0.098 121.060 121.223 -0.109 0.000 2.083 627 L HA -0.266 4.074 4.340 -0.000 0.000 0.209 627 L C 1.706 178.509 176.870 -0.112 0.000 1.083 627 L CA 1.583 56.333 54.840 -0.149 0.000 0.752 627 L CB -0.558 41.330 42.059 -0.285 0.000 0.899 627 L HN 0.321 nan 8.230 nan 0.000 0.433 628 N N -0.058 118.538 118.700 -0.173 0.000 2.166 628 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 628 N C 1.871 177.366 175.510 -0.026 0.000 1.019 628 N CA 1.025 54.002 53.050 -0.122 0.000 0.856 628 N CB -0.049 38.346 38.487 -0.153 0.000 0.993 628 N HN 0.235 nan 8.380 nan 0.000 0.426 629 I N 0.760 121.269 120.570 -0.102 0.000 2.179 629 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 629 I C 2.565 178.717 176.117 0.057 0.000 1.088 629 I CA 0.879 62.164 61.300 -0.025 0.000 1.357 629 I CB -0.251 37.701 38.000 -0.080 0.000 1.051 629 I HN 0.147 nan 8.210 nan 0.000 0.409 630 R N 0.401 120.885 120.500 -0.027 0.000 2.113 630 R HA -0.259 4.080 4.340 -0.000 0.000 0.244 630 R C 2.446 178.949 176.300 0.339 0.000 1.142 630 R CA 2.175 58.337 56.100 0.103 0.000 0.953 630 R CB -0.449 29.853 30.300 0.003 0.000 0.860 630 R HN 0.264 nan 8.270 nan 0.000 0.438 631 Y N 0.589 120.954 120.300 0.108 0.000 2.242 631 Y HA -0.103 4.447 4.550 -0.000 0.000 0.291 631 Y C 2.636 178.663 175.900 0.212 0.000 1.137 631 Y CA 1.690 59.884 58.100 0.158 0.000 1.181 631 Y CB -0.612 37.920 38.460 0.120 0.000 0.989 631 Y HN 0.124 nan 8.280 nan 0.000 0.527 632 T N 0.026 114.782 114.554 0.337 0.000 2.720 632 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 632 T C 1.515 176.433 174.700 0.363 0.000 1.037 632 T CA 1.304 63.584 62.100 0.301 0.000 1.144 632 T CB -0.423 68.596 68.868 0.252 0.000 0.864 632 T HN 0.041 nan 8.240 nan 0.000 0.444 633 L N 0.593 122.061 121.223 0.407 0.000 2.591 633 L HA 0.322 4.662 4.340 -0.000 0.000 0.228 633 L C 1.840 179.085 176.870 0.626 0.000 1.133 633 L CA 0.461 55.637 54.840 0.561 0.000 0.880 633 L CB -0.780 41.650 42.059 0.618 0.000 1.033 633 L HN 0.251 nan 8.230 nan 0.000 0.450 634 L N 0.183 121.669 121.223 0.439 0.000 2.079 634 L HA -0.172 4.167 4.340 -0.000 0.000 0.210 634 L C -0.214 176.902 176.870 0.410 0.000 1.081 634 L CA 1.336 56.338 54.840 0.269 0.000 0.752 634 L CB -1.348 40.698 42.059 -0.020 0.000 0.896 634 L HN 0.280 nan 8.230 nan 0.000 0.433 635 P HA -0.226 nan 4.420 nan 0.000 0.216 635 P C 1.242 178.965 177.300 0.705 0.000 1.150 635 P CA 1.315 64.868 63.100 0.756 0.000 0.837 635 P CB -0.053 32.073 31.700 0.711 0.000 0.786 636 Y N 0.424 121.048 120.300 0.540 0.000 2.133 636 Y HA -0.139 4.411 4.550 -0.000 0.000 0.287 636 Y C 2.117 178.265 175.900 0.412 0.000 1.134 636 Y CA 1.112 59.522 58.100 0.516 0.000 1.133 636 Y CB -1.165 37.667 38.460 0.621 0.000 0.987 636 Y HN -0.235 nan 8.280 nan 0.000 0.502 637 L N -0.419 120.969 121.223 0.274 0.000 2.042 637 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 637 L C 2.226 179.187 176.870 0.152 0.000 1.076 637 L CA 2.060 56.842 54.840 -0.098 0.000 0.749 637 L CB -1.451 40.438 42.059 -0.283 0.000 0.893 637 L HN 0.411 nan 8.230 nan 0.000 0.432 638 Y N 0.179 120.560 120.300 0.136 0.000 2.181 638 Y HA -0.239 4.311 4.550 -0.000 0.000 0.288 638 Y C 2.488 178.561 175.900 0.289 0.000 1.146 638 Y CA 2.141 60.362 58.100 0.201 0.000 1.164 638 Y CB -0.864 37.737 38.460 0.235 0.000 0.982 638 Y HN 0.244 nan 8.280 nan 0.000 0.515 639 T N 1.123 115.870 114.554 0.322 0.000 2.788 639 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 639 T C 2.115 176.869 174.700 0.089 0.000 1.044 639 T CA 1.629 63.885 62.100 0.260 0.000 1.139 639 T CB -0.493 68.609 68.868 0.390 0.000 0.867 639 T HN 0.297 nan 8.240 nan 0.000 0.454 640 L N -0.449 120.731 121.223 -0.072 0.000 2.046 640 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 640 L C 2.245 178.953 176.870 -0.270 0.000 1.077 640 L CA 1.378 56.076 54.840 -0.235 0.000 0.747 640 L CB -0.600 41.203 42.059 -0.425 0.000 0.896 640 L HN 0.215 nan 8.230 nan 0.000 0.432 641 F N -0.851 118.984 119.950 -0.191 0.000 2.234 641 F HA -0.216 4.310 4.527 -0.000 0.000 0.299 641 F C 2.330 177.967 175.800 -0.270 0.000 1.087 641 F CA 1.261 59.138 58.000 -0.206 0.000 1.340 641 F CB -0.501 38.396 39.000 -0.171 0.000 1.031 641 F HN -0.013 nan 8.300 nan 0.000 0.500 642 F N 1.287 121.011 119.950 -0.376 0.000 2.095 642 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 642 F C 2.415 177.981 175.800 -0.390 0.000 1.104 642 F CA 1.579 59.186 58.000 -0.655 0.000 1.232 642 F CB -0.382 37.865 39.000 -1.255 0.000 0.987 642 F HN -0.273 nan 8.300 nan 0.000 0.475 643 R N 0.946 121.099 120.500 -0.578 0.000 2.081 643 R HA -0.077 4.262 4.340 -0.000 0.000 0.235 643 R C 2.456 178.504 176.300 -0.421 0.000 1.131 643 R CA 1.274 57.038 56.100 -0.560 0.000 0.960 643 R CB -1.718 28.421 30.300 -0.268 0.000 0.856 643 R HN 0.470 nan 8.270 nan 0.000 0.436 644 A N 0.319 122.949 122.820 -0.316 0.000 1.877 644 A HA -0.227 4.092 4.320 -0.000 0.000 0.216 644 A C 2.115 179.556 177.584 -0.238 0.000 1.186 644 A CA 1.933 53.819 52.037 -0.252 0.000 0.620 644 A CB -0.729 18.128 19.000 -0.238 0.000 0.822 644 A HN 0.480 nan 8.150 nan 0.000 0.443 645 H N 0.729 119.606 119.070 -0.321 0.000 2.357 645 H HA -0.087 4.468 4.556 -0.000 0.000 0.301 645 H C 2.305 177.419 175.328 -0.358 0.000 1.082 645 H CA 2.400 58.263 56.048 -0.308 0.000 1.342 645 H CB -0.040 29.557 29.762 -0.276 0.000 1.389 645 H HN 0.522 nan 8.280 nan 0.000 0.511 646 S N -1.179 114.151 115.700 -0.617 0.000 2.439 646 S HA 0.028 4.497 4.470 -0.000 0.000 0.224 646 S C 2.107 176.435 174.600 -0.452 0.000 1.029 646 S CA 0.620 58.448 58.200 -0.620 0.000 0.946 646 S CB 0.281 62.995 63.200 -0.810 0.000 0.797 646 S HN 0.488 nan 8.310 nan 0.000 0.504 647 R N 0.106 120.356 120.500 -0.417 0.000 2.507 647 R HA 0.341 4.681 4.340 -0.000 0.000 0.230 647 R C 1.116 177.271 176.300 -0.242 0.000 0.897 647 R CA 0.798 56.726 56.100 -0.286 0.000 1.006 647 R CB 0.491 30.637 30.300 -0.256 0.000 1.341 647 R HN 0.534 nan 8.270 nan 0.000 0.604 648 G N 1.556 110.197 108.800 -0.265 0.000 2.159 648 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.227 648 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.227 648 G C -0.795 173.998 174.900 -0.177 0.000 0.986 648 G CA 0.109 45.069 45.100 -0.233 0.000 0.651 648 G HN 0.398 nan 8.290 nan 0.000 0.523 649 D N 1.772 122.072 120.400 -0.166 0.000 2.449 649 D HA 0.441 5.081 4.640 -0.000 0.000 0.236 649 D C 1.472 177.699 176.300 -0.122 0.000 1.149 649 D CA 1.074 55.006 54.000 -0.113 0.000 0.878 649 D CB 0.692 41.422 40.800 -0.116 0.000 1.198 649 D HN 0.491 nan 8.370 nan 0.000 0.446 650 T N -1.765 112.752 114.554 -0.062 0.000 2.813 650 T HA 0.261 4.611 4.350 -0.000 0.000 0.297 650 T C 1.001 175.605 174.700 -0.161 0.000 1.036 650 T CA -0.810 61.236 62.100 -0.091 0.000 1.044 650 T CB 0.881 69.729 68.868 -0.034 0.000 0.993 650 T HN 0.075 nan 8.240 nan 0.000 0.535 651 V N 0.802 120.574 119.914 -0.237 0.000 2.602 651 V HA 0.397 4.516 4.120 -0.000 0.000 0.235 651 V C 1.645 177.664 176.094 -0.126 0.000 1.087 651 V CA 0.657 62.748 62.300 -0.350 0.000 1.117 651 V CB -0.828 30.529 31.823 -0.777 0.000 0.820 651 V HN 1.154 nan 8.190 nan 0.000 0.490 652 A N 1.573 124.371 122.820 -0.037 0.000 2.354 652 A HA 0.583 4.902 4.320 -0.000 0.000 0.281 652 A C 0.127 177.760 177.584 0.082 0.000 1.174 652 A CA 0.098 52.250 52.037 0.192 0.000 0.828 652 A CB -0.064 18.985 19.000 0.081 0.000 1.099 652 A HN 0.443 nan 8.150 nan 0.000 0.516 653 R N 3.293 123.905 120.500 0.188 0.000 2.621 653 R HA 0.549 4.889 4.340 -0.000 0.000 0.292 653 R C -3.107 173.192 176.300 -0.002 0.000 0.969 653 R CA -1.993 54.113 56.100 0.011 0.000 0.887 653 R CB 2.003 32.354 30.300 0.086 0.000 1.180 653 R HN 0.389 nan 8.270 nan 0.000 0.450 654 P HA 0.045 nan 4.420 nan 0.000 0.271 654 P C 0.599 177.959 177.300 0.100 0.000 1.218 654 P CA -0.187 62.821 63.100 -0.153 0.000 0.780 654 P CB 0.684 32.195 31.700 -0.316 0.000 0.901 655 L N 1.927 123.278 121.223 0.212 0.000 2.051 655 L HA -0.245 4.095 4.340 -0.000 0.000 0.214 655 L C 2.101 179.252 176.870 0.470 0.000 1.076 655 L CA 1.731 56.804 54.840 0.389 0.000 0.758 655 L CB -0.854 41.407 42.059 0.338 0.000 0.890 655 L HN 0.451 nan 8.230 nan 0.000 0.433 656 L N -3.643 117.818 121.223 0.398 0.000 2.353 656 L HA -0.170 4.170 4.340 -0.000 0.000 0.220 656 L C 2.216 179.383 176.870 0.496 0.000 1.133 656 L CA 1.605 56.730 54.840 0.474 0.000 0.798 656 L CB -1.052 41.270 42.059 0.439 0.000 0.922 656 L HN 0.215 nan 8.230 nan 0.000 0.445 657 H N -0.363 118.841 119.070 0.223 0.000 2.462 657 H HA 0.031 4.587 4.556 -0.000 0.000 0.292 657 H C 1.403 176.849 175.328 0.197 0.000 1.049 657 H CA 1.013 57.194 56.048 0.221 0.000 1.334 657 H CB 0.491 30.331 29.762 0.128 0.000 1.404 657 H HN 0.474 nan 8.280 nan 0.000 0.544 658 E N 0.189 120.459 120.200 0.118 0.000 2.364 658 E HA 0.011 4.361 4.350 -0.000 0.000 0.196 658 E C 0.097 176.221 176.600 -0.794 0.000 0.990 658 E CA 0.355 56.525 56.400 -0.385 0.000 0.886 658 E CB 0.389 29.691 29.700 -0.664 0.000 0.866 658 E HN 0.359 nan 8.360 nan 0.000 0.493 659 F N 0.448 120.408 119.950 0.015 0.000 2.850 659 F HA 0.127 4.654 4.527 -0.000 0.000 0.329 659 F C 0.850 176.673 175.800 0.039 0.000 1.182 659 F CA -0.855 57.130 58.000 -0.025 0.000 1.270 659 F CB -0.408 38.689 39.000 0.161 0.000 0.979 659 F HN -0.044 nan 8.300 nan 0.000 0.506 660 Y N -0.936 119.604 120.300 0.400 0.000 2.384 660 Y HA -0.104 4.446 4.550 -0.000 0.000 0.289 660 Y C 1.605 177.846 175.900 0.569 0.000 1.152 660 Y CA 0.693 59.091 58.100 0.496 0.000 1.258 660 Y CB -1.175 37.445 38.460 0.268 0.000 0.979 660 Y HN 0.226 nan 8.280 nan 0.000 0.549 661 E N 0.096 120.495 120.200 0.331 0.000 2.338 661 E HA -0.143 4.207 4.350 -0.000 0.000 0.197 661 E C 0.044 176.792 176.600 0.247 0.000 1.007 661 E CA 0.888 57.495 56.400 0.345 0.000 0.849 661 E CB -0.010 29.810 29.700 0.201 0.000 0.774 661 E HN 0.345 nan 8.360 nan 0.000 0.506 662 D N 0.697 121.219 120.400 0.203 0.000 2.454 662 D HA -0.014 4.625 4.640 -0.000 0.000 0.225 662 D C 0.544 176.650 176.300 -0.324 0.000 1.081 662 D CA -0.395 53.615 54.000 0.016 0.000 0.864 662 D CB 0.372 41.253 40.800 0.134 0.000 1.040 662 D HN -0.045 nan 8.370 nan 0.000 0.517 663 N N 1.774 120.020 118.700 -0.756 0.000 2.519 663 N HA -0.142 4.597 4.740 -0.000 0.000 0.186 663 N C 0.723 175.678 175.510 -0.926 0.000 1.062 663 N CA 0.471 52.486 53.050 -1.726 0.000 0.910 663 N CB -0.113 37.244 38.487 -1.883 0.000 0.958 663 N HN 0.078 nan 8.380 nan 0.000 0.445 664 S N -0.637 114.709 115.700 -0.590 0.000 2.515 664 S HA -0.063 4.407 4.470 -0.000 0.000 0.231 664 S C 1.626 175.848 174.600 -0.631 0.000 0.987 664 S CA 1.196 59.024 58.200 -0.619 0.000 0.936 664 S CB -0.428 62.265 63.200 -0.845 0.000 0.766 664 S HN 0.811 nan 8.310 nan 0.000 0.528 665 T N -2.281 112.071 114.554 -0.337 0.000 3.057 665 T HA 0.020 4.370 4.350 -0.000 0.000 0.254 665 T C 1.223 176.101 174.700 0.295 0.000 1.094 665 T CA -0.073 62.033 62.100 0.010 0.000 1.088 665 T CB -0.287 68.734 68.868 0.255 0.000 0.934 665 T HN 0.372 nan 8.240 nan 0.000 0.497 666 W N 3.606 124.973 121.300 0.112 0.000 2.392 666 W HA 0.132 4.792 4.660 -0.000 0.000 0.279 666 W C 0.738 177.436 176.519 0.298 0.000 1.225 666 W CA 0.878 58.361 57.345 0.231 0.000 1.233 666 W CB -0.650 28.935 29.460 0.209 0.000 1.122 666 W HN 0.632 nan 8.180 nan 0.000 0.561 667 D N -2.282 118.365 120.400 0.412 0.000 2.501 667 D HA 0.138 4.778 4.640 -0.000 0.000 0.224 667 D C -0.021 176.513 176.300 0.390 0.000 1.202 667 D CA -0.105 54.123 54.000 0.380 0.000 0.829 667 D CB -0.638 40.323 40.800 0.267 0.000 1.023 667 D HN -0.298 nan 8.370 nan 0.000 0.499 668 V N 2.037 122.124 119.914 0.287 0.000 2.493 668 V HA 0.103 4.222 4.120 -0.000 0.000 0.292 668 V C 0.666 176.940 176.094 0.300 0.000 1.016 668 V CA 0.621 63.047 62.300 0.209 0.000 1.097 668 V CB -0.057 31.836 31.823 0.118 0.000 0.947 668 V HN 0.593 nan 8.190 nan 0.000 0.479 669 H N 1.423 120.584 119.070 0.153 0.000 3.540 669 H HA 0.316 4.872 4.556 -0.000 0.000 0.259 669 H C 1.010 176.416 175.328 0.129 0.000 1.197 669 H CA -0.286 55.850 56.048 0.147 0.000 1.136 669 H CB 0.218 30.112 29.762 0.220 0.000 1.605 669 H HN 0.504 nan 8.280 nan 0.000 0.657 670 Q N 0.593 120.259 119.800 -0.222 0.000 2.282 670 Q HA 0.241 4.580 4.340 -0.000 0.000 0.206 670 Q C -0.311 175.682 176.000 -0.012 0.000 0.878 670 Q CA 0.203 55.922 55.803 -0.141 0.000 0.944 670 Q CB 0.981 29.586 28.738 -0.222 0.000 1.100 670 Q HN 0.565 nan 8.270 nan 0.000 0.509 671 Q N -0.126 119.699 119.800 0.041 0.000 2.456 671 Q HA 0.590 4.930 4.340 -0.000 0.000 0.283 671 Q C -1.164 174.966 176.000 0.216 0.000 1.084 671 Q CA -0.745 55.084 55.803 0.043 0.000 0.801 671 Q CB 2.181 30.878 28.738 -0.070 0.000 1.434 671 Q HN 0.080 nan 8.270 nan 0.000 0.419 672 F N -1.555 118.378 119.950 -0.028 0.000 2.745 672 F HA 0.736 5.262 4.527 -0.000 0.000 0.316 672 F C -2.048 173.792 175.800 0.067 0.000 1.155 672 F CA -1.341 56.671 58.000 0.019 0.000 0.937 672 F CB 1.016 40.035 39.000 0.032 0.000 1.361 672 F HN 0.316 nan 8.300 nan 0.000 0.472 673 L N 1.003 122.368 121.223 0.236 0.000 2.334 673 L HA 0.392 4.732 4.340 -0.000 0.000 0.273 673 L C -1.352 175.803 176.870 0.476 0.000 1.013 673 L CA -0.673 54.301 54.840 0.223 0.000 0.816 673 L CB 1.389 43.628 42.059 0.300 0.000 1.278 673 L HN 0.562 nan 8.230 nan 0.000 0.431 674 W N 2.687 124.103 121.300 0.193 0.000 2.387 674 W HA 0.503 5.163 4.660 -0.000 0.000 0.310 674 W C 0.941 177.623 176.519 0.272 0.000 1.181 674 W CA 0.209 57.721 57.345 0.279 0.000 1.333 674 W CB 0.081 29.780 29.460 0.398 0.000 1.286 674 W HN 0.805 nan 8.180 nan 0.000 0.455 675 G N 5.666 114.629 108.800 0.271 0.000 2.582 675 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.288 675 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.288 675 G C -1.367 173.668 174.900 0.224 0.000 1.247 675 G CA 0.229 45.430 45.100 0.168 0.000 0.972 675 G HN 0.336 nan 8.290 nan 0.000 0.557 676 P HA 0.160 nan 4.420 nan 0.000 0.235 676 P C 1.318 178.541 177.300 -0.127 0.000 1.177 676 P CA 2.095 65.176 63.100 -0.031 0.000 0.785 676 P CB 0.156 31.761 31.700 -0.159 0.000 0.885 677 G N -0.784 108.102 108.800 0.144 0.000 2.833 677 G HA2 0.231 4.191 3.960 -0.000 0.000 0.214 677 G HA3 0.231 4.191 3.960 -0.000 0.000 0.214 677 G C -0.137 175.115 174.900 0.587 0.000 1.075 677 G CA 0.185 45.434 45.100 0.249 0.000 0.799 677 G HN 0.196 nan 8.290 nan 0.000 0.541 678 L N 1.508 123.044 121.223 0.523 0.000 2.319 678 L HA 0.736 5.076 4.340 -0.000 0.000 0.281 678 L C -1.196 175.750 176.870 0.127 0.000 1.005 678 L CA -1.200 53.794 54.840 0.258 0.000 0.828 678 L CB 1.784 43.925 42.059 0.137 0.000 1.227 678 L HN -0.059 nan 8.230 nan 0.000 0.415 679 L N 6.509 127.755 121.223 0.039 0.000 2.275 679 L HA 0.626 4.966 4.340 -0.000 0.000 0.288 679 L C -0.981 175.649 176.870 -0.401 0.000 1.046 679 L CA 0.146 54.858 54.840 -0.214 0.000 0.805 679 L CB 1.023 42.756 42.059 -0.543 0.000 1.193 679 L HN 0.596 nan 8.230 nan 0.000 0.426 680 I N 4.454 124.683 120.570 -0.569 0.000 2.362 680 I HA 0.384 4.554 4.170 -0.000 0.000 0.289 680 I C -0.325 175.489 176.117 -0.506 0.000 0.994 680 I CA -0.019 60.845 61.300 -0.726 0.000 1.158 680 I CB 1.752 39.062 38.000 -1.151 0.000 1.315 680 I HN 0.558 nan 8.210 nan 0.000 0.451 681 T N 7.079 121.403 114.554 -0.384 0.000 3.064 681 T HA 0.360 4.710 4.350 -0.000 0.000 0.367 681 T C -2.583 171.985 174.700 -0.220 0.000 1.202 681 T CA -1.258 60.686 62.100 -0.259 0.000 1.133 681 T CB 0.740 69.473 68.868 -0.225 0.000 1.074 681 T HN 0.288 nan 8.240 nan 0.000 0.519 682 P HA 0.362 nan 4.420 nan 0.000 0.279 682 P C -0.348 176.900 177.300 -0.087 0.000 1.252 682 P CA -0.521 62.498 63.100 -0.134 0.000 0.811 682 P CB 1.114 32.760 31.700 -0.089 0.000 1.035 683 V N 3.651 123.531 119.914 -0.056 0.000 2.470 683 V HA 0.054 4.174 4.120 -0.000 0.000 0.276 683 V C 1.395 177.530 176.094 0.069 0.000 1.040 683 V CA 0.417 62.714 62.300 -0.007 0.000 1.008 683 V CB 0.012 31.843 31.823 0.013 0.000 0.990 683 V HN 0.436 nan 8.190 nan 0.000 0.477 684 L N 3.535 124.798 121.223 0.067 0.000 3.016 684 L HA 0.429 4.768 4.340 -0.000 0.000 0.267 684 L C -0.027 176.968 176.870 0.208 0.000 1.182 684 L CA 0.111 55.035 54.840 0.139 0.000 0.997 684 L CB 0.431 42.503 42.059 0.023 0.000 1.354 684 L HN 0.566 nan 8.230 nan 0.000 0.569 685 D N 1.436 121.834 120.400 -0.004 0.000 2.391 685 D HA 0.125 4.765 4.640 -0.000 0.000 0.245 685 D C -0.449 175.332 176.300 -0.866 0.000 1.069 685 D CA -0.271 53.533 54.000 -0.327 0.000 0.831 685 D CB 2.350 43.018 40.800 -0.219 0.000 1.204 685 D HN 0.048 nan 8.370 nan 0.000 0.503 686 E N 0.570 119.818 120.200 -1.587 0.000 2.480 686 E HA 0.170 4.519 4.350 -0.000 0.000 0.258 686 E C 1.003 177.178 176.600 -0.709 0.000 0.984 686 E CA 0.585 55.942 56.400 -1.738 0.000 0.930 686 E CB 0.300 29.040 29.700 -1.599 0.000 0.936 686 E HN 0.762 nan 8.360 nan 0.000 0.466 687 G N 2.563 111.099 108.800 -0.440 0.000 2.225 687 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.254 687 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.254 687 G C 0.234 175.038 174.900 -0.161 0.000 0.988 687 G CA 0.088 45.057 45.100 -0.219 0.000 0.625 687 G HN 0.872 nan 8.290 nan 0.000 0.527 688 A N 0.214 122.918 122.820 -0.193 0.000 2.354 688 A HA 0.675 4.995 4.320 -0.000 0.000 0.269 688 A C 0.834 178.378 177.584 -0.066 0.000 1.109 688 A CA 0.350 52.313 52.037 -0.123 0.000 0.800 688 A CB 0.374 19.292 19.000 -0.137 0.000 1.045 688 A HN 0.335 nan 8.150 nan 0.000 0.489 689 E N 0.972 121.142 120.200 -0.049 0.000 2.734 689 E HA 0.133 4.483 4.350 -0.000 0.000 0.211 689 E C -0.501 176.082 176.600 -0.027 0.000 0.991 689 E CA 0.055 56.440 56.400 -0.026 0.000 1.065 689 E CB 0.111 29.801 29.700 -0.017 0.000 1.047 689 E HN 0.786 nan 8.360 nan 0.000 0.470 690 K N -1.149 119.224 120.400 -0.045 0.000 2.533 690 K HA 0.675 4.994 4.320 -0.000 0.000 0.284 690 K C -1.241 175.314 176.600 -0.075 0.000 1.025 690 K CA -0.902 55.353 56.287 -0.053 0.000 0.900 690 K CB 2.403 34.872 32.500 -0.051 0.000 1.519 690 K HN -0.090 nan 8.250 nan 0.000 0.432 691 V N 1.423 121.277 119.914 -0.100 0.000 2.851 691 V HA 0.369 4.489 4.120 -0.000 0.000 0.307 691 V C -1.379 174.623 176.094 -0.154 0.000 1.129 691 V CA -0.952 61.278 62.300 -0.117 0.000 0.932 691 V CB 2.203 33.956 31.823 -0.116 0.000 1.024 691 V HN 0.756 nan 8.190 nan 0.000 0.426 692 M N 5.074 124.592 119.600 -0.138 0.000 2.194 692 M HA 0.581 5.061 4.480 -0.000 0.000 0.347 692 M C 0.109 176.307 176.300 -0.169 0.000 1.439 692 M CA 0.385 55.594 55.300 -0.152 0.000 1.131 692 M CB 0.268 32.804 32.600 -0.106 0.000 1.733 692 M HN 0.839 nan 8.290 nan 0.000 0.467 693 A N 4.461 127.139 122.820 -0.236 0.000 2.469 693 A HA 0.692 5.011 4.320 -0.000 0.000 0.299 693 A C -1.857 175.590 177.584 -0.229 0.000 1.098 693 A CA -0.645 51.246 52.037 -0.245 0.000 0.737 693 A CB 1.437 20.232 19.000 -0.342 0.000 1.312 693 A HN 0.670 nan 8.150 nan 0.000 0.414 694 Y N 1.208 121.331 120.300 -0.295 0.000 2.330 694 Y HA 0.534 5.084 4.550 -0.000 0.000 0.336 694 Y C -0.586 175.088 175.900 -0.378 0.000 1.036 694 Y CA -0.438 57.491 58.100 -0.284 0.000 1.125 694 Y CB 1.618 39.968 38.460 -0.184 0.000 1.194 694 Y HN 0.407 nan 8.280 nan 0.000 0.469 695 V N 9.479 128.777 119.914 -1.027 0.000 2.328 695 V HA 0.332 4.452 4.120 -0.000 0.000 0.278 695 V C -2.172 173.385 176.094 -0.895 0.000 1.021 695 V CA -2.056 59.721 62.300 -0.870 0.000 0.838 695 V CB 0.909 32.370 31.823 -0.604 0.000 0.999 695 V HN 0.722 nan 8.190 nan 0.000 0.447 696 P HA 0.067 nan 4.420 nan 0.000 0.274 696 P C -0.262 176.928 177.300 -0.184 0.000 1.260 696 P CA -0.363 62.457 63.100 -0.466 0.000 0.793 696 P CB 0.498 31.431 31.700 -1.278 0.000 1.048 697 D N 0.106 120.415 120.400 -0.152 0.000 2.597 697 D HA 0.361 5.000 4.640 -0.000 0.000 0.228 697 D C -0.744 175.611 176.300 0.092 0.000 1.120 697 D CA 0.419 54.440 54.000 0.036 0.000 1.083 697 D CB -1.258 39.614 40.800 0.120 0.000 1.116 697 D HN 0.326 nan 8.370 nan 0.000 0.487 698 A N 1.406 124.233 122.820 0.012 0.000 2.610 698 A HA 0.500 4.820 4.320 -0.000 0.000 0.291 698 A C -0.894 176.476 177.584 -0.357 0.000 1.086 698 A CA -0.766 51.164 52.037 -0.179 0.000 0.677 698 A CB 1.009 19.802 19.000 -0.345 0.000 1.278 698 A HN 0.042 nan 8.150 nan 0.000 0.414 699 V N 0.452 120.148 119.914 -0.363 0.000 2.585 699 V HA 0.216 4.336 4.120 -0.000 0.000 0.296 699 V C -0.629 175.057 176.094 -0.681 0.000 1.035 699 V CA 0.773 62.832 62.300 -0.401 0.000 1.084 699 V CB -0.331 31.319 31.823 -0.288 0.000 0.953 699 V HN 0.700 nan 8.190 nan 0.000 0.483 700 W N 3.892 125.005 121.300 -0.313 0.000 2.736 700 W HA 0.670 5.330 4.660 -0.000 0.000 0.335 700 W C -0.969 175.325 176.519 -0.375 0.000 1.059 700 W CA -0.594 56.627 57.345 -0.206 0.000 1.226 700 W CB 1.504 30.911 29.460 -0.088 0.000 1.416 700 W HN 0.430 nan 8.180 nan 0.000 0.505 701 Y N 1.078 121.611 120.300 0.389 0.000 2.376 701 Y HA 0.199 4.748 4.550 -0.000 0.000 0.340 701 Y C 0.101 176.142 175.900 0.234 0.000 0.965 701 Y CA -1.368 56.873 58.100 0.235 0.000 1.078 701 Y CB 1.324 39.849 38.460 0.108 0.000 1.193 701 Y HN 0.363 nan 8.280 nan 0.000 0.452 702 D N 1.697 122.270 120.400 0.289 0.000 2.472 702 D HA -0.140 4.500 4.640 -0.000 0.000 0.248 702 D C 0.769 177.066 176.300 -0.006 0.000 1.174 702 D CA 0.528 54.523 54.000 -0.008 0.000 0.883 702 D CB 0.497 41.307 40.800 0.016 0.000 1.149 702 D HN 0.609 nan 8.370 nan 0.000 0.488 703 Y N 3.768 123.956 120.300 -0.188 0.000 2.145 703 Y HA -0.176 4.374 4.550 -0.000 0.000 0.286 703 Y C 1.589 177.439 175.900 -0.084 0.000 1.145 703 Y CA 1.696 59.713 58.100 -0.140 0.000 1.148 703 Y CB 0.161 38.508 38.460 -0.188 0.000 0.981 703 Y HN 0.577 nan 8.280 nan 0.000 0.507 704 E N -1.083 119.135 120.200 0.031 0.000 2.107 704 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 704 E C 2.039 178.583 176.600 -0.093 0.000 0.982 704 E CA 1.699 58.096 56.400 -0.005 0.000 0.809 704 E CB -0.223 29.561 29.700 0.140 0.000 0.756 704 E HN 0.616 nan 8.360 nan 0.000 0.459 705 T N -3.362 111.150 114.554 -0.070 0.000 3.040 705 T HA 0.263 4.613 4.350 -0.000 0.000 0.252 705 T C 1.681 176.328 174.700 -0.087 0.000 1.064 705 T CA 0.591 62.648 62.100 -0.070 0.000 1.110 705 T CB 0.666 69.509 68.868 -0.041 0.000 0.921 705 T HN 0.293 nan 8.240 nan 0.000 0.480 706 G N 1.484 110.236 108.800 -0.080 0.000 2.176 706 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.253 706 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.253 706 G C 0.313 175.244 174.900 0.050 0.000 0.979 706 G CA 0.461 45.515 45.100 -0.078 0.000 0.641 706 G HN 1.362 nan 8.290 nan 0.000 0.530 707 S N 0.019 115.757 115.700 0.063 0.000 2.548 707 S HA 0.521 4.991 4.470 -0.000 0.000 0.277 707 S C 0.288 174.989 174.600 0.169 0.000 1.315 707 S CA 0.387 58.641 58.200 0.089 0.000 1.050 707 S CB 1.500 64.699 63.200 -0.002 0.000 0.918 707 S HN 0.607 nan 8.310 nan 0.000 0.497 708 Q N 2.885 122.787 119.800 0.171 0.000 2.297 708 Q HA 0.312 4.652 4.340 -0.000 0.000 0.267 708 Q C 0.172 176.094 176.000 -0.131 0.000 1.006 708 Q CA -0.658 55.131 55.803 -0.023 0.000 0.896 708 Q CB 0.706 29.408 28.738 -0.059 0.000 1.186 708 Q HN 0.798 nan 8.270 nan 0.000 0.392 709 V N 2.778 122.584 119.914 -0.180 0.000 2.881 709 V HA 0.189 4.308 4.120 -0.000 0.000 0.303 709 V C 1.005 176.892 176.094 -0.345 0.000 1.070 709 V CA -0.415 61.660 62.300 -0.376 0.000 1.074 709 V CB 1.269 32.829 31.823 -0.438 0.000 1.012 709 V HN 0.874 nan 8.190 nan 0.000 0.482 710 R N 1.350 121.540 120.500 -0.516 0.000 2.115 710 R HA 0.049 4.389 4.340 -0.000 0.000 0.226 710 R C 0.623 176.836 176.300 -0.144 0.000 1.100 710 R CA 0.473 56.389 56.100 -0.307 0.000 0.980 710 R CB -0.405 29.712 30.300 -0.306 0.000 0.875 710 R HN 0.815 nan 8.270 nan 0.000 0.445 711 W N 2.351 123.596 121.300 -0.093 0.000 2.193 711 W HA 0.200 4.860 4.660 -0.000 0.000 0.338 711 W C 0.735 177.193 176.519 -0.101 0.000 1.310 711 W CA -0.323 56.944 57.345 -0.130 0.000 1.243 711 W CB -0.131 29.203 29.460 -0.210 0.000 1.165 711 W HN 0.013 nan 8.180 nan 0.000 0.566 712 R N 2.215 122.775 120.500 0.100 0.000 2.560 712 R HA 0.089 4.429 4.340 -0.000 0.000 0.267 712 R C -0.106 176.155 176.300 -0.065 0.000 1.150 712 R CA -0.832 55.286 56.100 0.031 0.000 0.997 712 R CB 0.735 31.058 30.300 0.038 0.000 1.250 712 R HN 0.562 nan 8.270 nan 0.000 0.433 713 K N 2.999 123.300 120.400 -0.165 0.000 3.257 713 K HA -0.247 4.072 4.320 -0.000 0.000 0.270 713 K C -1.494 174.991 176.600 -0.193 0.000 0.984 713 K CA 1.827 58.010 56.287 -0.172 0.000 0.739 713 K CB -0.707 31.799 32.500 0.010 0.000 1.351 713 K HN 0.762 nan 8.250 nan 0.000 0.463 714 Q N -0.346 119.149 119.800 -0.509 0.000 2.472 714 Q HA 0.365 4.705 4.340 -0.000 0.000 0.281 714 Q C -1.441 174.308 176.000 -0.419 0.000 0.997 714 Q CA -1.373 54.265 55.803 -0.276 0.000 0.828 714 Q CB 1.155 29.811 28.738 -0.136 0.000 1.443 714 Q HN 0.048 nan 8.270 nan 0.000 0.390 715 K N 1.347 121.685 120.400 -0.102 0.000 2.322 715 K HA 0.421 4.740 4.320 -0.000 0.000 0.283 715 K C -0.304 176.134 176.600 -0.271 0.000 1.042 715 K CA -0.133 56.088 56.287 -0.109 0.000 0.958 715 K CB 1.296 33.795 32.500 -0.002 0.000 0.984 715 K HN 0.533 nan 8.250 nan 0.000 0.473 716 V N 0.050 119.707 119.914 -0.429 0.000 3.040 716 V HA 0.416 4.536 4.120 -0.000 0.000 0.312 716 V C -0.776 175.053 176.094 -0.441 0.000 1.115 716 V CA -0.993 60.965 62.300 -0.569 0.000 0.998 716 V CB 1.976 33.025 31.823 -1.290 0.000 1.042 716 V HN 0.700 nan 8.190 nan 0.000 0.433 717 E N 3.471 123.475 120.200 -0.326 0.000 2.001 717 E HA 0.383 4.732 4.350 -0.000 0.000 0.279 717 E C -0.683 175.769 176.600 -0.246 0.000 1.045 717 E CA -0.229 56.034 56.400 -0.228 0.000 0.833 717 E CB 1.334 30.964 29.700 -0.117 0.000 1.077 717 E HN 0.642 nan 8.360 nan 0.000 0.397 718 M N 2.620 122.037 119.600 -0.305 0.000 2.146 718 M HA 0.068 4.548 4.480 -0.000 0.000 0.352 718 M C 0.077 176.349 176.300 -0.048 0.000 1.343 718 M CA 0.242 55.412 55.300 -0.217 0.000 1.115 718 M CB 0.529 32.971 32.600 -0.264 0.000 1.657 718 M HN 0.286 nan 8.290 nan 0.000 0.471 719 E N 4.888 125.125 120.200 0.061 0.000 2.180 719 E HA 0.318 4.668 4.350 -0.000 0.000 0.283 719 E C -1.111 175.515 176.600 0.044 0.000 1.061 719 E CA 0.016 56.444 56.400 0.047 0.000 0.861 719 E CB 0.677 30.419 29.700 0.070 0.000 1.056 719 E HN 0.535 nan 8.360 nan 0.000 0.407 720 L N 6.203 127.433 121.223 0.012 0.000 2.529 720 L HA 0.331 4.671 4.340 -0.000 0.000 0.258 720 L C -2.445 174.430 176.870 0.008 0.000 1.032 720 L CA -2.053 52.794 54.840 0.010 0.000 0.899 720 L CB 1.276 43.325 42.059 -0.016 0.000 1.174 720 L HN 0.295 nan 8.230 nan 0.000 0.458 721 P HA 0.074 nan 4.420 nan 0.000 0.274 721 P C 1.096 178.411 177.300 0.025 0.000 1.264 721 P CA -0.171 62.939 63.100 0.016 0.000 0.795 721 P CB 0.718 32.427 31.700 0.015 0.000 1.064 722 G N 0.577 109.392 108.800 0.025 0.000 2.485 722 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.221 722 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.221 722 G C 0.585 175.514 174.900 0.048 0.000 1.115 722 G CA 0.887 46.009 45.100 0.036 0.000 0.751 722 G HN 0.647 nan 8.290 nan 0.000 0.567 723 D N -0.758 119.672 120.400 0.049 0.000 2.427 723 D HA 0.153 4.792 4.640 -0.000 0.000 0.224 723 D C 0.163 176.573 176.300 0.185 0.000 1.157 723 D CA -0.056 53.993 54.000 0.081 0.000 0.828 723 D CB 0.317 41.121 40.800 0.007 0.000 0.974 723 D HN -0.021 nan 8.370 nan 0.000 0.498 724 K N 0.754 121.238 120.400 0.141 0.000 2.427 724 K HA 0.500 4.819 4.320 -0.000 0.000 0.252 724 K C -0.876 175.701 176.600 -0.039 0.000 0.931 724 K CA -0.755 55.621 56.287 0.148 0.000 0.793 724 K CB 2.979 35.537 32.500 0.098 0.000 1.211 724 K HN 0.131 nan 8.250 nan 0.000 0.426 725 I N -0.095 120.333 120.570 -0.238 0.000 2.569 725 I HA 0.457 4.627 4.170 -0.000 0.000 0.296 725 I C 0.065 176.016 176.117 -0.276 0.000 1.028 725 I CA -0.578 60.511 61.300 -0.353 0.000 1.082 725 I CB 1.866 39.502 38.000 -0.606 0.000 1.264 725 I HN 0.651 nan 8.210 nan 0.000 0.429 726 G N 7.501 116.166 108.800 -0.225 0.000 2.361 726 G HA2 0.484 4.444 3.960 -0.000 0.000 0.260 726 G HA3 0.484 4.444 3.960 -0.000 0.000 0.260 726 G C -1.003 173.703 174.900 -0.322 0.000 1.261 726 G CA -0.286 44.718 45.100 -0.159 0.000 0.897 726 G HN 0.546 nan 8.290 nan 0.000 0.499 727 L N 2.777 123.763 121.223 -0.395 0.000 2.482 727 L HA 0.369 4.709 4.340 -0.000 0.000 0.269 727 L C -1.018 175.535 176.870 -0.528 0.000 0.967 727 L CA -0.824 53.730 54.840 -0.476 0.000 0.851 727 L CB 2.175 43.927 42.059 -0.511 0.000 1.242 727 L HN 0.600 nan 8.230 nan 0.000 0.404 728 H N 2.876 121.881 119.070 -0.108 0.000 2.600 728 H HA 0.633 5.188 4.556 -0.000 0.000 0.357 728 H C -0.932 174.556 175.328 0.266 0.000 1.106 728 H CA -0.479 55.634 56.048 0.108 0.000 1.193 728 H CB 2.215 32.015 29.762 0.064 0.000 1.594 728 H HN 0.358 nan 8.280 nan 0.000 0.526 729 L N 2.266 123.740 121.223 0.419 0.000 2.309 729 L HA 0.457 4.797 4.340 -0.000 0.000 0.282 729 L C 0.421 177.611 176.870 0.533 0.000 1.036 729 L CA -0.632 54.391 54.840 0.306 0.000 0.806 729 L CB 1.266 43.333 42.059 0.013 0.000 1.220 729 L HN 0.416 nan 8.230 nan 0.000 0.429 730 R N 1.581 122.334 120.500 0.422 0.000 2.340 730 R HA 0.350 4.690 4.340 -0.000 0.000 0.300 730 R C 0.189 176.658 176.300 0.283 0.000 1.069 730 R CA -0.380 55.665 56.100 -0.092 0.000 0.984 730 R CB 1.010 31.158 30.300 -0.253 0.000 1.003 730 R HN 0.822 nan 8.270 nan 0.000 0.459 731 G N 1.229 110.089 108.800 0.100 0.000 2.380 731 G HA2 0.345 4.304 3.960 -0.000 0.000 0.242 731 G HA3 0.345 4.304 3.960 -0.000 0.000 0.242 731 G C 0.771 175.808 174.900 0.229 0.000 1.298 731 G CA 0.313 45.580 45.100 0.278 0.000 0.878 731 G HN 0.921 nan 8.290 nan 0.000 0.542 732 G N 0.256 109.136 108.800 0.133 0.000 2.184 732 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.206 732 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.206 732 G C -0.040 174.554 174.900 -0.510 0.000 0.995 732 G CA 0.212 45.206 45.100 -0.177 0.000 0.651 732 G HN 0.802 nan 8.290 nan 0.000 0.511 733 Y N -0.070 120.268 120.300 0.063 0.000 2.446 733 Y HA 0.734 5.284 4.550 -0.000 0.000 0.345 733 Y C 0.526 176.323 175.900 -0.172 0.000 0.984 733 Y CA -1.143 56.895 58.100 -0.103 0.000 1.058 733 Y CB 1.617 39.946 38.460 -0.218 0.000 1.220 733 Y HN 0.083 nan 8.280 nan 0.000 0.455 734 I N 3.899 124.386 120.570 -0.138 0.000 2.378 734 I HA 0.341 4.510 4.170 -0.000 0.000 0.291 734 I C -1.293 174.695 176.117 -0.214 0.000 0.992 734 I CA -0.575 60.678 61.300 -0.078 0.000 1.154 734 I CB 0.987 39.011 38.000 0.040 0.000 1.315 734 I HN 0.415 nan 8.210 nan 0.000 0.448 735 F N 7.352 127.344 119.950 0.071 0.000 2.375 735 F HA 0.411 4.938 4.527 -0.000 0.000 0.361 735 F C -2.143 173.737 175.800 0.133 0.000 1.117 735 F CA -2.516 55.524 58.000 0.068 0.000 1.037 735 F CB 1.143 40.088 39.000 -0.092 0.000 1.192 735 F HN 0.218 nan 8.300 nan 0.000 0.452 736 P HA 0.210 nan 4.420 nan 0.000 0.275 736 P C -0.407 177.168 177.300 0.458 0.000 1.227 736 P CA -0.168 63.182 63.100 0.417 0.000 0.781 736 P CB 1.528 33.589 31.700 0.602 0.000 0.906 737 T N -0.471 114.304 114.554 0.367 0.000 2.887 737 T HA 0.598 4.947 4.350 -0.000 0.000 0.292 737 T C -1.054 173.792 174.700 0.243 0.000 1.087 737 T CA -0.778 61.520 62.100 0.329 0.000 1.009 737 T CB 1.972 71.002 68.868 0.270 0.000 1.203 737 T HN 0.479 nan 8.240 nan 0.000 0.518 738 Q N 0.510 120.452 119.800 0.238 0.000 2.289 738 Q HA 0.307 4.647 4.340 -0.000 0.000 0.270 738 Q C -1.033 175.066 176.000 0.165 0.000 1.038 738 Q CA -0.613 55.285 55.803 0.160 0.000 0.812 738 Q CB 2.276 31.130 28.738 0.192 0.000 1.300 738 Q HN 0.833 nan 8.270 nan 0.000 0.427 739 Q N 5.000 124.862 119.800 0.104 0.000 2.308 739 Q HA 0.054 4.393 4.340 -0.000 0.000 0.313 739 Q C -2.011 174.068 176.000 0.133 0.000 1.075 739 Q CA -0.832 55.029 55.803 0.096 0.000 0.995 739 Q CB 0.582 29.352 28.738 0.054 0.000 1.107 739 Q HN 0.386 nan 8.270 nan 0.000 0.380 740 P HA 0.092 nan 4.420 nan 0.000 0.272 740 P C -0.872 176.500 177.300 0.120 0.000 1.230 740 P CA -0.165 63.041 63.100 0.177 0.000 0.788 740 P CB 0.928 32.708 31.700 0.132 0.000 0.949 741 N N -0.773 118.015 118.700 0.146 0.000 2.972 741 N HA 0.184 4.924 4.740 -0.000 0.000 0.262 741 N C 0.779 176.306 175.510 0.029 0.000 1.478 741 N CA -0.356 52.739 53.050 0.075 0.000 0.841 741 N CB 0.793 39.333 38.487 0.088 0.000 1.512 741 N HN 0.309 nan 8.380 nan 0.000 0.548 742 T N -3.022 111.532 114.554 -0.001 0.000 3.085 742 T HA 0.102 4.452 4.350 -0.000 0.000 0.263 742 T C 0.748 175.479 174.700 0.052 0.000 1.127 742 T CA 1.001 63.076 62.100 -0.042 0.000 1.103 742 T CB -0.615 68.246 68.868 -0.011 0.000 0.921 742 T HN 0.615 nan 8.240 nan 0.000 0.510 743 T N -1.593 113.046 114.554 0.141 0.000 2.903 743 T HA 0.499 4.849 4.350 -0.000 0.000 0.299 743 T C 1.061 175.936 174.700 0.291 0.000 1.093 743 T CA -0.106 62.122 62.100 0.213 0.000 1.002 743 T CB 1.813 70.722 68.868 0.067 0.000 1.127 743 T HN 0.091 nan 8.240 nan 0.000 0.488 744 T N 0.039 114.773 114.554 0.299 0.000 3.023 744 T HA -0.043 4.306 4.350 -0.000 0.000 0.266 744 T C 1.912 176.702 174.700 0.149 0.000 1.093 744 T CA 0.721 62.980 62.100 0.265 0.000 1.129 744 T CB -0.488 68.561 68.868 0.302 0.000 0.899 744 T HN 0.429 nan 8.240 nan 0.000 0.491 745 L N 1.823 123.100 121.223 0.089 0.000 2.021 745 L HA -0.009 4.331 4.340 -0.000 0.000 0.215 745 L C 2.785 179.676 176.870 0.034 0.000 1.074 745 L CA 2.183 57.037 54.840 0.022 0.000 0.760 745 L CB -1.044 41.001 42.059 -0.025 0.000 0.889 745 L HN 0.374 nan 8.230 nan 0.000 0.433 746 A N -1.470 121.385 122.820 0.058 0.000 1.903 746 A HA -0.100 4.220 4.320 -0.000 0.000 0.213 746 A C 2.430 180.067 177.584 0.088 0.000 1.185 746 A CA 1.395 53.466 52.037 0.057 0.000 0.628 746 A CB -1.008 18.021 19.000 0.049 0.000 0.830 746 A HN 0.624 nan 8.150 nan 0.000 0.446 747 S N 0.275 116.062 115.700 0.145 0.000 2.383 747 S HA -0.209 4.261 4.470 -0.000 0.000 0.229 747 S C 1.901 176.600 174.600 0.165 0.000 1.030 747 S CA 1.346 59.657 58.200 0.185 0.000 1.002 747 S CB -0.538 62.843 63.200 0.303 0.000 0.829 747 S HN 0.565 nan 8.310 nan 0.000 0.467 748 R N 1.284 121.865 120.500 0.134 0.000 2.293 748 R HA 0.103 4.443 4.340 -0.000 0.000 0.219 748 R C 1.905 178.287 176.300 0.136 0.000 1.091 748 R CA 1.087 57.267 56.100 0.134 0.000 1.004 748 R CB -0.144 30.130 30.300 -0.044 0.000 0.865 748 R HN 0.526 nan 8.270 nan 0.000 0.469 749 K N -0.201 120.244 120.400 0.075 0.000 2.426 749 K HA 0.064 4.384 4.320 -0.000 0.000 0.193 749 K C 0.136 176.740 176.600 0.008 0.000 1.028 749 K CA 0.040 56.350 56.287 0.037 0.000 1.047 749 K CB 0.218 32.733 32.500 0.025 0.000 0.821 749 K HN 0.091 nan 8.250 nan 0.000 0.513 750 N N 1.596 120.307 118.700 0.019 0.000 2.463 750 N HA 0.191 4.931 4.740 -0.000 0.000 0.270 750 N C -2.611 172.865 175.510 -0.055 0.000 1.205 750 N CA -1.951 51.099 53.050 -0.001 0.000 0.974 750 N CB 0.281 38.790 38.487 0.036 0.000 1.197 750 N HN -0.117 nan 8.380 nan 0.000 0.504 751 P HA 0.055 nan 4.420 nan 0.000 0.267 751 P C -0.230 177.002 177.300 -0.114 0.000 1.200 751 P CA 0.271 63.311 63.100 -0.100 0.000 0.772 751 P CB 0.644 32.309 31.700 -0.059 0.000 0.855 752 L N 1.054 122.142 121.223 -0.225 0.000 2.400 752 L HA 0.789 5.129 4.340 -0.000 0.000 0.264 752 L C 1.178 178.055 176.870 0.012 0.000 1.061 752 L CA -0.366 54.332 54.840 -0.238 0.000 0.799 752 L CB 1.227 42.801 42.059 -0.808 0.000 1.240 752 L HN 0.471 nan 8.230 nan 0.000 0.461 753 G N 0.472 109.387 108.800 0.191 0.000 2.694 753 G HA2 0.718 4.678 3.960 -0.000 0.000 0.290 753 G HA3 0.718 4.678 3.960 -0.000 0.000 0.290 753 G C -1.722 173.328 174.900 0.250 0.000 1.386 753 G CA -0.570 44.668 45.100 0.231 0.000 0.872 753 G HN 0.345 nan 8.290 nan 0.000 0.475 754 L N 0.788 122.040 121.223 0.048 0.000 2.385 754 L HA 0.575 4.915 4.340 -0.000 0.000 0.273 754 L C -0.594 176.246 176.870 -0.050 0.000 0.990 754 L CA -0.894 53.879 54.840 -0.112 0.000 0.821 754 L CB 2.220 44.027 42.059 -0.420 0.000 1.279 754 L HN 0.633 nan 8.230 nan 0.000 0.412 755 I N 3.586 124.178 120.570 0.036 0.000 2.339 755 I HA 0.493 4.663 4.170 -0.000 0.000 0.290 755 I C -0.938 175.248 176.117 0.114 0.000 0.994 755 I CA -0.187 61.139 61.300 0.044 0.000 1.191 755 I CB 1.062 39.068 38.000 0.009 0.000 1.343 755 I HN 0.490 nan 8.210 nan 0.000 0.458 756 I N 8.099 128.675 120.570 0.010 0.000 2.330 756 I HA 0.442 4.612 4.170 -0.000 0.000 0.286 756 I C 0.321 176.440 176.117 0.003 0.000 1.025 756 I CA -0.431 60.886 61.300 0.029 0.000 1.197 756 I CB 1.512 39.506 38.000 -0.011 0.000 1.358 756 I HN 0.761 nan 8.210 nan 0.000 0.467 757 A N 8.314 131.209 122.820 0.125 0.000 2.294 757 A HA 0.571 4.891 4.320 -0.000 0.000 0.316 757 A C -0.151 177.540 177.584 0.178 0.000 1.359 757 A CA -0.469 51.612 52.037 0.074 0.000 0.956 757 A CB 0.102 19.348 19.000 0.410 0.000 1.155 757 A HN 0.692 nan 8.150 nan 0.000 0.544 758 L N 2.832 124.115 121.223 0.100 0.000 2.416 758 L HA 0.185 4.524 4.340 -0.000 0.000 0.272 758 L C 0.570 177.589 176.870 0.249 0.000 1.161 758 L CA -0.586 54.354 54.840 0.168 0.000 0.845 758 L CB 0.553 42.691 42.059 0.132 0.000 1.119 758 L HN 0.867 nan 8.230 nan 0.000 0.464 759 D N 1.218 121.703 120.400 0.141 0.000 2.447 759 D HA 0.035 4.675 4.640 -0.000 0.000 0.265 759 D C 0.695 177.043 176.300 0.081 0.000 1.250 759 D CA -0.500 53.557 54.000 0.096 0.000 1.046 759 D CB 0.577 41.401 40.800 0.040 0.000 1.095 759 D HN 0.435 nan 8.370 nan 0.000 0.555 760 E N -0.887 119.341 120.200 0.047 0.000 2.160 760 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 760 E C 0.811 177.434 176.600 0.038 0.000 0.991 760 E CA 1.167 57.589 56.400 0.037 0.000 0.810 760 E CB -0.277 29.436 29.700 0.021 0.000 0.742 760 E HN 0.354 nan 8.360 nan 0.000 0.466 761 N N 0.846 119.569 118.700 0.037 0.000 2.370 761 N HA -0.005 4.735 4.740 -0.000 0.000 0.198 761 N C -0.485 175.052 175.510 0.046 0.000 1.156 761 N CA 0.222 53.292 53.050 0.033 0.000 0.839 761 N CB 0.529 39.031 38.487 0.025 0.000 0.989 761 N HN -0.047 nan 8.380 nan 0.000 0.468 762 K N -0.016 120.424 120.400 0.066 0.000 3.129 762 K HA -0.192 4.128 4.320 -0.000 0.000 0.273 762 K C -0.575 176.088 176.600 0.105 0.000 1.123 762 K CA 0.722 57.068 56.287 0.097 0.000 0.800 762 K CB -2.208 30.353 32.500 0.101 0.000 1.238 762 K HN 0.526 nan 8.250 nan 0.000 0.492 763 E N -0.761 119.483 120.200 0.075 0.000 2.312 763 E HA 0.800 5.150 4.350 -0.000 0.000 0.267 763 E C -0.651 175.968 176.600 0.033 0.000 0.894 763 E CA -0.627 55.804 56.400 0.053 0.000 0.773 763 E CB 2.175 31.888 29.700 0.022 0.000 1.241 763 E HN 0.288 nan 8.360 nan 0.000 0.432 764 A N 1.947 124.779 122.820 0.020 0.000 2.610 764 A HA 0.693 5.013 4.320 -0.000 0.000 0.291 764 A C -1.522 176.043 177.584 -0.031 0.000 1.086 764 A CA -0.772 51.245 52.037 -0.033 0.000 0.677 764 A CB 1.727 20.742 19.000 0.024 0.000 1.278 764 A HN 0.450 nan 8.150 nan 0.000 0.414 765 K N -0.375 119.967 120.400 -0.096 0.000 2.502 765 K HA 0.710 5.030 4.320 -0.000 0.000 0.257 765 K C -0.351 176.275 176.600 0.043 0.000 0.938 765 K CA -0.401 55.878 56.287 -0.013 0.000 0.819 765 K CB 2.843 35.310 32.500 -0.055 0.000 1.333 765 K HN 1.351 nan 8.250 nan 0.000 0.434 766 G N 0.672 109.589 108.800 0.195 0.000 2.606 766 G HA2 0.533 4.492 3.960 -0.000 0.000 0.300 766 G HA3 0.533 4.492 3.960 -0.000 0.000 0.300 766 G C -1.814 173.293 174.900 0.345 0.000 1.360 766 G CA -0.641 44.644 45.100 0.308 0.000 0.783 766 G HN 0.640 nan 8.290 nan 0.000 0.484 767 E N -1.727 118.711 120.200 0.398 0.000 2.445 767 E HA 0.685 5.034 4.350 -0.000 0.000 0.279 767 E C -2.192 174.661 176.600 0.422 0.000 1.018 767 E CA -1.039 55.467 56.400 0.177 0.000 0.816 767 E CB 2.486 32.287 29.700 0.170 0.000 1.356 767 E HN 0.806 nan 8.360 nan 0.000 0.462 768 L N 1.429 122.828 121.223 0.293 0.000 2.470 768 L HA 0.560 4.900 4.340 -0.000 0.000 0.268 768 L C -1.922 175.189 176.870 0.401 0.000 0.964 768 L CA -0.636 54.502 54.840 0.497 0.000 0.839 768 L CB 1.779 44.254 42.059 0.694 0.000 1.276 768 L HN 0.657 nan 8.230 nan 0.000 0.403 769 F N 5.723 125.817 119.950 0.239 0.000 2.408 769 F HA 0.614 5.141 4.527 -0.000 0.000 0.344 769 F C -1.360 174.644 175.800 0.340 0.000 1.112 769 F CA -0.193 57.818 58.000 0.019 0.000 1.096 769 F CB 0.889 39.593 39.000 -0.493 0.000 1.129 769 F HN 0.606 nan 8.300 nan 0.000 0.486 770 W N 9.099 130.034 121.300 -0.609 0.000 2.968 770 W HA 0.257 4.917 4.660 -0.000 0.000 0.337 770 W C -1.728 174.480 176.519 -0.518 0.000 1.060 770 W CA -0.653 56.489 57.345 -0.339 0.000 1.240 770 W CB 1.802 31.259 29.460 -0.004 0.000 1.370 770 W HN 0.743 nan 8.180 nan 0.000 0.459 771 D N 1.472 121.379 120.400 -0.821 0.000 2.801 771 D HA 0.165 4.805 4.640 -0.000 0.000 0.277 771 D C 0.658 176.347 176.300 -1.017 0.000 1.125 771 D CA -0.253 53.246 54.000 -0.835 0.000 1.102 771 D CB 0.188 40.641 40.800 -0.578 0.000 1.400 771 D HN 0.276 nan 8.370 nan 0.000 0.601 772 D N -1.765 118.007 120.400 -1.047 0.000 2.378 772 D HA 0.129 4.769 4.640 -0.000 0.000 0.227 772 D C 1.582 177.633 176.300 -0.415 0.000 1.012 772 D CA 1.012 54.645 54.000 -0.612 0.000 0.905 772 D CB -0.416 40.146 40.800 -0.396 0.000 0.895 772 D HN 0.863 nan 8.370 nan 0.000 0.532 773 G N 0.602 109.161 108.800 -0.403 0.000 2.179 773 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.260 773 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.260 773 G C 0.701 175.521 174.900 -0.134 0.000 0.977 773 G CA 0.697 45.597 45.100 -0.333 0.000 0.641 773 G HN 0.614 nan 8.290 nan 0.000 0.533 774 E N -2.270 117.869 120.200 -0.101 0.000 2.626 774 E HA 0.126 4.476 4.350 -0.000 0.000 0.194 774 E C 0.298 176.878 176.600 -0.034 0.000 0.950 774 E CA 0.323 56.700 56.400 -0.038 0.000 1.583 774 E CB 0.033 29.748 29.700 0.026 0.000 1.881 774 E HN 0.239 nan 8.360 nan 0.000 0.979 775 T N 2.250 116.771 114.554 -0.055 0.000 2.870 775 T HA 0.156 4.506 4.350 -0.000 0.000 0.300 775 T C -0.193 174.491 174.700 -0.026 0.000 0.989 775 T CA -0.063 62.017 62.100 -0.033 0.000 1.139 775 T CB 1.407 70.250 68.868 -0.041 0.000 0.920 775 T HN 0.052 nan 8.240 nan 0.000 0.537 776 K N 1.998 122.391 120.400 -0.010 0.000 2.295 776 K HA 0.041 4.361 4.320 -0.000 0.000 0.270 776 K C 0.210 176.813 176.600 0.005 0.000 1.011 776 K CA -0.154 56.125 56.287 -0.013 0.000 0.953 776 K CB 0.310 32.812 32.500 0.003 0.000 0.956 776 K HN 0.613 nan 8.250 nan 0.000 0.477 777 D N 1.170 121.573 120.400 0.005 0.000 3.012 777 D HA -0.184 4.456 4.640 -0.000 0.000 0.222 777 D C 0.922 177.270 176.300 0.081 0.000 1.167 777 D CA 1.497 55.526 54.000 0.049 0.000 0.854 777 D CB -1.448 39.386 40.800 0.057 0.000 1.107 777 D HN 0.869 nan 8.370 nan 0.000 0.421 778 T N -3.354 111.240 114.554 0.068 0.000 2.803 778 T HA -0.155 4.195 4.350 -0.000 0.000 0.269 778 T C 1.941 176.793 174.700 0.253 0.000 1.052 778 T CA 1.611 63.782 62.100 0.118 0.000 1.136 778 T CB -0.253 68.647 68.868 0.053 0.000 0.864 778 T HN 0.200 nan 8.240 nan 0.000 0.467 779 V N 1.923 121.963 119.914 0.210 0.000 2.346 779 V HA 0.105 4.225 4.120 -0.000 0.000 0.244 779 V C 3.253 179.534 176.094 0.312 0.000 1.037 779 V CA 1.259 63.723 62.300 0.275 0.000 1.029 779 V CB -1.375 30.565 31.823 0.194 0.000 0.663 779 V HN 0.639 nan 8.190 nan 0.000 0.454 780 A N 0.705 123.653 122.820 0.214 0.000 1.940 780 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 780 A C 1.810 179.487 177.584 0.154 0.000 1.176 780 A CA 2.381 54.516 52.037 0.163 0.000 0.631 780 A CB -0.826 18.246 19.000 0.120 0.000 0.814 780 A HN 0.720 nan 8.150 nan 0.000 0.446 781 N N -0.303 118.491 118.700 0.156 0.000 2.322 781 N HA 0.110 4.850 4.740 -0.000 0.000 0.194 781 N C -0.711 174.885 175.510 0.143 0.000 1.126 781 N CA -0.074 53.052 53.050 0.127 0.000 0.845 781 N CB 0.042 38.587 38.487 0.098 0.000 0.976 781 N HN 0.305 nan 8.380 nan 0.000 0.475 782 K N 0.539 121.074 120.400 0.225 0.000 4.040 782 K HA -0.156 4.164 4.320 -0.000 0.000 0.279 782 K C -1.058 175.588 176.600 0.078 0.000 0.890 782 K CA 0.244 56.634 56.287 0.172 0.000 0.782 782 K CB -1.487 31.039 32.500 0.043 0.000 1.613 782 K HN 0.046 nan 8.250 nan 0.000 0.440 783 V N 2.612 122.648 119.914 0.204 0.000 2.260 783 V HA 0.346 4.466 4.120 -0.000 0.000 0.263 783 V C -0.538 175.683 176.094 0.212 0.000 1.036 783 V CA -0.584 61.806 62.300 0.149 0.000 0.874 783 V CB -0.660 31.238 31.823 0.125 0.000 1.116 783 V HN 0.471 nan 8.190 nan 0.000 0.454 784 Y N 1.871 122.206 120.300 0.058 0.000 2.713 784 Y HA 0.809 5.359 4.550 -0.000 0.000 0.335 784 Y C -1.631 174.278 175.900 0.016 0.000 1.222 784 Y CA -1.790 56.277 58.100 -0.056 0.000 1.061 784 Y CB 1.644 39.959 38.460 -0.241 0.000 1.314 784 Y HN 0.205 nan 8.280 nan 0.000 0.453 785 L N 2.896 124.219 121.223 0.167 0.000 2.309 785 L HA 0.772 5.112 4.340 -0.000 0.000 0.282 785 L C -1.696 175.290 176.870 0.194 0.000 1.036 785 L CA -0.818 54.107 54.840 0.141 0.000 0.806 785 L CB 1.462 43.645 42.059 0.206 0.000 1.220 785 L HN 0.752 nan 8.230 nan 0.000 0.429 786 L N 6.504 127.834 121.223 0.178 0.000 2.404 786 L HA 0.653 4.993 4.340 -0.000 0.000 0.272 786 L C -0.747 176.182 176.870 0.099 0.000 0.980 786 L CA -0.196 54.769 54.840 0.208 0.000 0.836 786 L CB 1.156 43.418 42.059 0.338 0.000 1.238 786 L HN 0.937 nan 8.230 nan 0.000 0.408 787 C N 1.741 121.061 119.300 0.033 0.000 2.667 787 C HA 0.911 5.371 4.460 -0.000 0.000 0.323 787 C C -0.636 174.155 174.990 -0.332 0.000 1.214 787 C CA -0.717 58.225 59.018 -0.127 0.000 1.721 787 C CB 1.968 29.630 27.740 -0.130 0.000 2.275 787 C HN 0.783 nan 8.230 nan 0.000 0.491 788 E N 0.662 120.639 120.200 -0.370 0.000 2.222 788 E HA 0.572 4.921 4.350 -0.000 0.000 0.267 788 E C -1.553 174.769 176.600 -0.463 0.000 0.884 788 E CA -0.160 56.020 56.400 -0.366 0.000 0.764 788 E CB 1.885 31.524 29.700 -0.101 0.000 1.169 788 E HN 0.655 nan 8.360 nan 0.000 0.413 789 F N 0.900 120.886 119.950 0.060 0.000 2.458 789 F HA 0.408 4.934 4.527 -0.000 0.000 0.336 789 F C 0.497 176.311 175.800 0.023 0.000 1.114 789 F CA -0.780 57.235 58.000 0.025 0.000 0.987 789 F CB 1.660 40.660 39.000 -0.000 0.000 1.130 789 F HN 0.209 nan 8.300 nan 0.000 0.458 790 S N 1.188 116.997 115.700 0.182 0.000 2.548 790 S HA 0.846 5.316 4.470 -0.000 0.000 0.276 790 S C -1.377 173.283 174.600 0.100 0.000 1.129 790 S CA -0.827 57.439 58.200 0.110 0.000 0.931 790 S CB 1.615 64.849 63.200 0.057 0.000 1.068 790 S HN 0.360 nan 8.310 nan 0.000 0.480 791 V N 2.742 122.710 119.914 0.090 0.000 2.495 791 V HA 0.794 4.914 4.120 -0.000 0.000 0.298 791 V C 0.312 176.442 176.094 0.059 0.000 1.031 791 V CA -0.281 62.081 62.300 0.102 0.000 0.871 791 V CB 1.811 33.743 31.823 0.183 0.000 0.988 791 V HN 1.209 nan 8.190 nan 0.000 0.432 792 T N 1.481 116.044 114.554 0.015 0.000 2.883 792 T HA 0.558 4.908 4.350 -0.000 0.000 0.284 792 T C -0.437 174.262 174.700 -0.003 0.000 1.041 792 T CA -0.957 61.145 62.100 0.002 0.000 1.007 792 T CB 1.224 70.072 68.868 -0.033 0.000 1.220 792 T HN 0.508 nan 8.240 nan 0.000 0.552 793 Q N 1.110 120.919 119.800 0.015 0.000 2.286 793 Q HA 0.205 4.545 4.340 -0.000 0.000 0.290 793 Q C 0.179 176.077 176.000 -0.170 0.000 1.049 793 Q CA 0.631 56.466 55.803 0.053 0.000 0.923 793 Q CB -0.152 28.633 28.738 0.079 0.000 1.183 793 Q HN 0.865 nan 8.270 nan 0.000 0.383 794 N N 0.700 119.148 118.700 -0.421 0.000 2.984 794 N HA -0.209 4.530 4.740 -0.000 0.000 0.227 794 N C -0.534 174.063 175.510 -1.522 0.000 0.903 794 N CA 0.619 53.000 53.050 -1.115 0.000 0.995 794 N CB -0.429 37.766 38.487 -0.485 0.000 1.065 794 N HN 0.552 nan 8.380 nan 0.000 0.585 795 R N 0.517 120.224 120.500 -1.323 0.000 2.536 795 R HA 0.501 4.841 4.340 -0.000 0.000 0.269 795 R C -2.207 173.864 176.300 -0.382 0.000 1.113 795 R CA -0.672 54.944 56.100 -0.808 0.000 0.948 795 R CB 1.220 31.284 30.300 -0.394 0.000 1.237 795 R HN 0.079 nan 8.270 nan 0.000 0.441 796 L N 2.472 123.622 121.223 -0.122 0.000 2.322 796 L HA 0.556 4.896 4.340 -0.000 0.000 0.281 796 L C -1.124 175.796 176.870 0.082 0.000 1.014 796 L CA 0.065 54.973 54.840 0.112 0.000 0.815 796 L CB 1.906 44.118 42.059 0.256 0.000 1.247 796 L HN 0.652 nan 8.230 nan 0.000 0.421 797 E N 3.842 124.100 120.200 0.098 0.000 2.165 797 E HA 0.475 4.825 4.350 -0.000 0.000 0.266 797 E C -1.354 175.335 176.600 0.148 0.000 0.889 797 E CA -0.757 55.702 56.400 0.099 0.000 0.756 797 E CB 2.201 31.933 29.700 0.053 0.000 1.131 797 E HN 0.469 nan 8.360 nan 0.000 0.411 798 V N 4.311 124.330 119.914 0.175 0.000 2.333 798 V HA 0.242 4.362 4.120 -0.000 0.000 0.274 798 V C 0.002 176.151 176.094 0.090 0.000 1.028 798 V CA -0.734 61.676 62.300 0.184 0.000 0.851 798 V CB 0.847 32.849 31.823 0.298 0.000 1.000 798 V HN 0.589 nan 8.190 nan 0.000 0.456 799 N N 4.371 123.074 118.700 0.005 0.000 2.361 799 N HA 0.500 5.240 4.740 -0.000 0.000 0.302 799 N C -1.245 174.251 175.510 -0.024 0.000 1.074 799 N CA -0.568 52.479 53.050 -0.004 0.000 0.850 799 N CB 2.038 40.518 38.487 -0.010 0.000 1.228 799 N HN 0.373 nan 8.380 nan 0.000 0.491 800 I N 2.520 123.090 120.570 -0.001 0.000 2.330 800 I HA 0.111 4.281 4.170 -0.000 0.000 0.289 800 I C 1.597 177.719 176.117 0.007 0.000 1.001 800 I CA -0.223 61.080 61.300 0.006 0.000 1.193 800 I CB 0.893 38.904 38.000 0.019 0.000 1.345 800 I HN 0.599 nan 8.210 nan 0.000 0.461 801 S N 4.900 120.610 115.700 0.018 0.000 2.475 801 S HA 0.081 4.551 4.470 -0.000 0.000 0.224 801 S C 0.645 175.256 174.600 0.017 0.000 1.042 801 S CA 0.112 58.331 58.200 0.031 0.000 0.935 801 S CB 0.315 63.550 63.200 0.058 0.000 0.801 801 S HN 0.612 nan 8.310 nan 0.000 0.509 802 Q N 0.578 120.378 119.800 -0.000 0.000 2.304 802 Q HA 0.654 4.994 4.340 -0.000 0.000 0.270 802 Q C -1.495 174.449 176.000 -0.094 0.000 1.035 802 Q CA -0.215 55.527 55.803 -0.101 0.000 0.781 802 Q CB 2.162 30.739 28.738 -0.268 0.000 1.261 802 Q HN 0.103 nan 8.270 nan 0.000 0.444 803 S N 2.538 118.185 115.700 -0.087 0.000 2.235 803 S HA 0.277 4.747 4.470 -0.000 0.000 0.152 803 S C -0.496 174.081 174.600 -0.039 0.000 1.649 803 S CA 0.053 58.229 58.200 -0.038 0.000 1.277 803 S CB -0.029 63.163 63.200 -0.013 0.000 1.299 803 S HN 0.711 nan 8.310 nan 0.000 0.388 804 T N -0.754 113.768 114.554 -0.053 0.000 3.182 804 T HA 0.332 4.682 4.350 -0.000 0.000 0.277 804 T C -0.441 174.323 174.700 0.107 0.000 1.013 804 T CA -0.259 61.836 62.100 -0.008 0.000 0.900 804 T CB -0.136 68.702 68.868 -0.050 0.000 1.098 804 T HN 0.434 nan 8.240 nan 0.000 0.543 805 Y N 1.419 121.707 120.300 -0.019 0.000 2.361 805 Y HA 0.583 5.133 4.550 -0.000 0.000 0.328 805 Y C -1.176 174.754 175.900 0.051 0.000 1.044 805 Y CA -1.602 56.512 58.100 0.023 0.000 1.085 805 Y CB 1.649 40.130 38.460 0.036 0.000 1.194 805 Y HN 0.039 nan 8.280 nan 0.000 0.438 806 K N 5.603 125.673 120.400 -0.550 0.000 2.367 806 K HA 0.226 4.546 4.320 -0.000 0.000 0.263 806 K C -0.992 175.184 176.600 -0.707 0.000 1.000 806 K CA -0.592 55.436 56.287 -0.431 0.000 0.891 806 K CB 0.692 33.064 32.500 -0.213 0.000 1.117 806 K HN 0.684 nan 8.250 nan 0.000 0.443 807 D N 5.839 125.926 120.400 -0.522 0.000 2.434 807 D HA -0.004 4.636 4.640 -0.000 0.000 0.252 807 D C -1.382 174.825 176.300 -0.156 0.000 1.185 807 D CA -1.347 52.494 54.000 -0.264 0.000 0.886 807 D CB 1.345 42.249 40.800 0.174 0.000 1.148 807 D HN 0.445 nan 8.370 nan 0.000 0.483 808 P HA -0.019 nan 4.420 nan 0.000 0.242 808 P C 0.080 177.362 177.300 -0.031 0.000 1.197 808 P CA 0.439 63.500 63.100 -0.065 0.000 0.765 808 P CB 0.119 31.797 31.700 -0.036 0.000 0.936 809 N N 0.397 119.089 118.700 -0.013 0.000 2.336 809 N HA 0.006 4.746 4.740 -0.000 0.000 0.189 809 N C 0.183 175.670 175.510 -0.039 0.000 1.113 809 N CA -0.141 52.902 53.050 -0.012 0.000 0.858 809 N CB -0.396 38.100 38.487 0.016 0.000 0.970 809 N HN 0.091 nan 8.380 nan 0.000 0.471 810 N N 1.034 119.700 118.700 -0.057 0.000 2.708 810 N HA -0.169 4.571 4.740 -0.000 0.000 0.255 810 N C -1.068 174.387 175.510 -0.092 0.000 1.046 810 N CA -0.037 52.974 53.050 -0.065 0.000 0.715 810 N CB -0.839 37.621 38.487 -0.044 0.000 0.895 810 N HN 0.245 nan 8.380 nan 0.000 0.545 811 L N 0.888 122.026 121.223 -0.141 0.000 2.418 811 L HA 0.730 5.070 4.340 -0.000 0.000 0.265 811 L C 0.798 177.523 176.870 -0.242 0.000 1.143 811 L CA -0.166 54.539 54.840 -0.225 0.000 0.809 811 L CB 1.497 43.338 42.059 -0.363 0.000 1.124 811 L HN 0.392 nan 8.230 nan 0.000 0.456 812 A N 1.763 124.415 122.820 -0.279 0.000 2.594 812 A HA 0.678 4.998 4.320 -0.000 0.000 0.295 812 A C -1.268 176.111 177.584 -0.343 0.000 1.071 812 A CA -0.582 51.308 52.037 -0.245 0.000 0.685 812 A CB 0.928 19.861 19.000 -0.111 0.000 1.285 812 A HN 0.414 nan 8.150 nan 0.000 0.405 813 F N 2.442 122.325 119.950 -0.112 0.000 2.472 813 F HA 0.225 4.752 4.527 -0.000 0.000 0.364 813 F C 1.619 177.347 175.800 -0.120 0.000 1.090 813 F CA 0.225 58.158 58.000 -0.111 0.000 1.188 813 F CB 0.843 39.772 39.000 -0.117 0.000 1.105 813 F HN 0.703 nan 8.300 nan 0.000 0.536 814 N N 1.608 120.335 118.700 0.046 0.000 2.171 814 N HA 0.050 4.790 4.740 -0.000 0.000 0.212 814 N C -0.421 175.089 175.510 0.000 0.000 1.184 814 N CA 0.055 53.104 53.050 -0.001 0.000 0.888 814 N CB 0.572 39.043 38.487 -0.026 0.000 1.038 814 N HN 0.730 nan 8.380 nan 0.000 0.517 815 E N 0.365 120.580 120.200 0.026 0.000 2.354 815 E HA 0.395 4.745 4.350 -0.000 0.000 0.283 815 E C -1.637 174.955 176.600 -0.014 0.000 0.938 815 E CA -0.540 55.856 56.400 -0.006 0.000 0.777 815 E CB 1.845 31.539 29.700 -0.010 0.000 1.222 815 E HN 0.103 nan 8.360 nan 0.000 0.423 816 I N 3.926 124.458 120.570 -0.063 0.000 2.418 816 I HA 0.343 4.512 4.170 -0.000 0.000 0.287 816 I C -0.381 175.666 176.117 -0.116 0.000 1.008 816 I CA -0.713 60.526 61.300 -0.103 0.000 1.104 816 I CB 1.773 39.694 38.000 -0.132 0.000 1.264 816 I HN 0.249 nan 8.210 nan 0.000 0.438 817 K N 7.635 127.968 120.400 -0.113 0.000 2.235 817 K HA 0.660 4.980 4.320 -0.000 0.000 0.266 817 K C -1.247 175.262 176.600 -0.152 0.000 0.980 817 K CA -0.477 55.731 56.287 -0.132 0.000 0.849 817 K CB 1.218 33.638 32.500 -0.134 0.000 1.098 817 K HN 0.560 nan 8.250 nan 0.000 0.445 818 I N 6.045 126.510 120.570 -0.175 0.000 2.406 818 I HA 0.290 4.460 4.170 -0.000 0.000 0.290 818 I C -0.571 175.427 176.117 -0.199 0.000 0.999 818 I CA -0.859 60.329 61.300 -0.185 0.000 1.124 818 I CB 1.453 39.310 38.000 -0.239 0.000 1.289 818 I HN 0.406 nan 8.210 nan 0.000 0.441 819 L N 5.247 126.288 121.223 -0.302 0.000 2.325 819 L HA 0.627 4.967 4.340 -0.000 0.000 0.278 819 L C 0.982 177.608 176.870 -0.406 0.000 1.023 819 L CA -0.703 53.832 54.840 -0.509 0.000 0.811 819 L CB 1.539 42.957 42.059 -1.069 0.000 1.249 819 L HN 0.918 nan 8.230 nan 0.000 0.431 820 G N 1.027 109.758 108.800 -0.116 0.000 2.225 820 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.264 820 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.264 820 G C 0.047 175.017 174.900 0.118 0.000 1.060 820 G CA 0.497 45.709 45.100 0.186 0.000 0.833 820 G HN 0.689 nan 8.290 nan 0.000 0.498 821 T N -0.473 114.139 114.554 0.097 0.000 2.885 821 T HA 0.565 4.915 4.350 -0.000 0.000 0.285 821 T C 0.235 175.029 174.700 0.155 0.000 1.019 821 T CA -0.582 61.581 62.100 0.107 0.000 1.010 821 T CB 1.227 70.129 68.868 0.057 0.000 1.022 821 T HN 0.185 nan 8.240 nan 0.000 0.466 822 E N 1.927 122.157 120.200 0.049 0.000 2.371 822 E HA 0.134 4.484 4.350 -0.000 0.000 0.257 822 E C 0.126 176.603 176.600 -0.205 0.000 1.134 822 E CA -0.353 56.048 56.400 0.001 0.000 0.919 822 E CB 0.478 30.118 29.700 -0.099 0.000 1.025 822 E HN 0.718 nan 8.360 nan 0.000 0.438 823 E N 2.542 122.349 120.200 -0.656 0.000 2.493 823 E HA 0.006 4.356 4.350 -0.000 0.000 0.255 823 E C -2.047 174.293 176.600 -0.435 0.000 0.999 823 E CA -1.264 54.444 56.400 -1.154 0.000 0.934 823 E CB 0.356 29.495 29.700 -0.934 0.000 0.940 823 E HN 0.010 nan 8.360 nan 0.000 0.473 824 P HA 0.074 nan 4.420 nan 0.000 0.287 824 P C -1.288 175.867 177.300 -0.241 0.000 1.281 824 P CA -0.399 62.446 63.100 -0.424 0.000 0.781 824 P CB 1.356 32.582 31.700 -0.789 0.000 0.903 825 S N 1.959 117.582 115.700 -0.128 0.000 2.664 825 S HA 0.434 4.903 4.470 -0.000 0.000 0.304 825 S C 0.006 174.603 174.600 -0.004 0.000 1.099 825 S CA -0.825 57.337 58.200 -0.064 0.000 1.003 825 S CB 0.292 63.461 63.200 -0.051 0.000 1.092 825 S HN 0.427 nan 8.310 nan 0.000 0.525 826 N N -0.344 118.354 118.700 -0.002 0.000 2.688 826 N HA -0.120 4.620 4.740 -0.000 0.000 0.258 826 N C -0.708 174.830 175.510 0.047 0.000 1.016 826 N CA 0.374 53.434 53.050 0.016 0.000 0.747 826 N CB -1.723 36.770 38.487 0.011 0.000 0.895 826 N HN 0.548 nan 8.380 nan 0.000 0.543 827 V N 0.585 120.530 119.914 0.051 0.000 2.572 827 V HA 0.173 4.293 4.120 -0.000 0.000 0.291 827 V C 1.078 177.216 176.094 0.074 0.000 1.039 827 V CA 0.327 62.686 62.300 0.097 0.000 1.055 827 V CB 1.334 33.191 31.823 0.057 0.000 0.969 827 V HN 0.357 nan 8.190 nan 0.000 0.482 828 T N 4.477 119.087 114.554 0.093 0.000 2.861 828 T HA 0.574 4.924 4.350 -0.000 0.000 0.287 828 T C -0.569 174.181 174.700 0.083 0.000 1.003 828 T CA -0.435 61.705 62.100 0.068 0.000 0.977 828 T CB 1.816 70.712 68.868 0.047 0.000 0.996 828 T HN 0.333 nan 8.240 nan 0.000 0.448 829 V N 3.880 123.842 119.914 0.080 0.000 2.378 829 V HA 0.478 4.598 4.120 -0.000 0.000 0.288 829 V C -0.228 175.960 176.094 0.156 0.000 1.016 829 V CA -0.804 61.560 62.300 0.106 0.000 0.840 829 V CB 1.356 33.211 31.823 0.053 0.000 0.994 829 V HN 0.718 nan 8.190 nan 0.000 0.431 830 K N 2.477 122.994 120.400 0.195 0.000 2.270 830 K HA 0.482 4.802 4.320 -0.000 0.000 0.255 830 K C -0.499 176.264 176.600 0.272 0.000 0.936 830 K CA -0.664 55.737 56.287 0.191 0.000 0.809 830 K CB 1.991 34.554 32.500 0.105 0.000 1.131 830 K HN 0.790 nan 8.250 nan 0.000 0.427 831 H N 4.332 123.447 119.070 0.074 0.000 2.369 831 H HA 0.152 4.708 4.556 -0.000 0.000 0.228 831 H C -0.815 174.455 175.328 -0.098 0.000 1.548 831 H CA -0.319 55.667 56.048 -0.103 0.000 1.275 831 H CB -0.159 29.558 29.762 -0.074 0.000 1.549 831 H HN 0.675 nan 8.280 nan 0.000 0.542 832 N N 2.557 121.250 118.700 -0.011 0.000 2.858 832 N HA -0.139 4.601 4.740 -0.000 0.000 0.247 832 N C 0.962 176.454 175.510 -0.029 0.000 1.092 832 N CA 0.888 53.905 53.050 -0.055 0.000 0.675 832 N CB -1.511 36.896 38.487 -0.134 0.000 0.959 832 N HN 0.959 nan 8.380 nan 0.000 0.558 833 G N -2.117 106.687 108.800 0.007 0.000 2.234 833 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.260 833 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.260 833 G C 0.060 174.970 174.900 0.017 0.000 0.987 833 G CA 0.474 45.579 45.100 0.008 0.000 0.625 833 G HN 0.656 nan 8.290 nan 0.000 0.532 834 V N 2.155 122.084 119.914 0.024 0.000 2.348 834 V HA 0.465 4.585 4.120 -0.000 0.000 0.270 834 V C -1.566 174.575 176.094 0.079 0.000 1.037 834 V CA -1.799 60.522 62.300 0.035 0.000 0.872 834 V CB 1.259 33.090 31.823 0.014 0.000 1.002 834 V HN 0.112 nan 8.190 nan 0.000 0.464 835 P HA 0.304 nan 4.420 nan 0.000 0.268 835 P C -0.015 177.342 177.300 0.095 0.000 1.208 835 P CA 0.473 63.621 63.100 0.080 0.000 0.777 835 P CB 0.786 32.517 31.700 0.052 0.000 0.875 839 S N 2.343 118.049 115.700 0.010 0.000 2.533 839 S HA 0.548 5.018 4.470 -0.000 0.000 0.282 839 S C -2.249 172.351 174.600 -0.000 0.000 1.304 839 S CA -0.782 57.423 58.200 0.008 0.000 1.063 839 S CB -0.327 62.877 63.200 0.006 0.000 0.881 839 S HN 0.587 nan 8.310 nan 0.000 0.493 840 P HA 0.245 nan 4.420 nan 0.000 0.274 840 P C -0.698 176.591 177.300 -0.019 0.000 1.246 840 P CA -0.411 62.679 63.100 -0.015 0.000 0.795 840 P CB 0.354 32.042 31.700 -0.020 0.000 1.006 841 T N 0.644 115.183 114.554 -0.025 0.000 2.856 841 T HA 0.368 4.717 4.350 -0.000 0.000 0.292 841 T C -0.190 174.488 174.700 -0.036 0.000 0.980 841 T CA -0.277 61.808 62.100 -0.025 0.000 1.091 841 T CB 0.323 69.177 68.868 -0.023 0.000 0.936 841 T HN 0.040 nan 8.240 nan 0.000 0.503 842 V N 3.748 123.641 119.914 -0.036 0.000 2.448 842 V HA 0.445 4.565 4.120 -0.000 0.000 0.295 842 V C 0.231 176.316 176.094 -0.016 0.000 1.025 842 V CA -0.826 61.446 62.300 -0.046 0.000 0.859 842 V CB 1.899 33.679 31.823 -0.073 0.000 0.988 842 V HN 0.947 nan 8.190 nan 0.000 0.431 843 T N 4.768 119.317 114.554 -0.009 0.000 2.794 843 T HA 0.544 4.894 4.350 -0.000 0.000 0.280 843 T C -1.179 173.564 174.700 0.072 0.000 0.987 843 T CA -0.234 61.874 62.100 0.013 0.000 0.993 843 T CB 0.919 69.776 68.868 -0.019 0.000 0.939 843 T HN 0.540 nan 8.240 nan 0.000 0.449 844 Y N 2.481 122.740 120.300 -0.067 0.000 2.376 844 Y HA 0.430 4.980 4.550 -0.000 0.000 0.340 844 Y C -0.822 175.046 175.900 -0.054 0.000 0.965 844 Y CA -1.539 56.520 58.100 -0.068 0.000 1.078 844 Y CB 1.428 39.852 38.460 -0.061 0.000 1.193 844 Y HN 0.499 nan 8.280 nan 0.000 0.452 845 D N 3.267 123.232 120.400 -0.725 0.000 2.454 845 D HA 0.132 4.772 4.640 -0.000 0.000 0.225 845 D C 0.552 176.275 176.300 -0.961 0.000 1.081 845 D CA 0.123 53.758 54.000 -0.609 0.000 0.864 845 D CB 1.312 41.900 40.800 -0.353 0.000 1.040 845 D HN 0.695 nan 8.370 nan 0.000 0.517 846 S N 2.843 118.137 115.700 -0.677 0.000 2.428 846 S HA -0.135 4.335 4.470 -0.000 0.000 0.230 846 S C 1.545 176.033 174.600 -0.186 0.000 1.014 846 S CA 0.339 58.305 58.200 -0.389 0.000 0.957 846 S CB -0.089 63.107 63.200 -0.006 0.000 0.784 846 S HN 0.590 nan 8.310 nan 0.000 0.499 847 N N 0.809 119.404 118.700 -0.175 0.000 2.106 847 N HA -0.045 4.694 4.740 -0.000 0.000 0.188 847 N C 1.254 176.698 175.510 -0.109 0.000 1.029 847 N CA 1.202 54.187 53.050 -0.109 0.000 0.848 847 N CB -0.114 38.317 38.487 -0.094 0.000 1.007 847 N HN 0.302 nan 8.380 nan 0.000 0.423 848 L N 1.370 122.500 121.223 -0.156 0.000 2.509 848 L HA 0.153 4.493 4.340 -0.000 0.000 0.222 848 L C 0.341 177.154 176.870 -0.096 0.000 1.123 848 L CA 0.710 55.481 54.840 -0.115 0.000 0.856 848 L CB -0.211 41.774 42.059 -0.123 0.000 0.985 848 L HN 0.079 nan 8.230 nan 0.000 0.456 849 K N -0.524 119.778 120.400 -0.164 0.000 3.125 849 K HA -0.131 4.189 4.320 -0.000 0.000 0.268 849 K C -0.611 175.976 176.600 -0.022 0.000 1.078 849 K CA 0.257 56.520 56.287 -0.041 0.000 0.775 849 K CB -2.668 29.884 32.500 0.087 0.000 1.253 849 K HN 0.098 nan 8.250 nan 0.000 0.486 850 V N 0.146 119.954 119.914 -0.177 0.000 2.495 850 V HA 0.722 4.841 4.120 -0.000 0.000 0.298 850 V C 0.364 176.438 176.094 -0.034 0.000 1.031 850 V CA -0.615 61.616 62.300 -0.115 0.000 0.871 850 V CB 1.969 33.698 31.823 -0.157 0.000 0.988 850 V HN 0.415 nan 8.190 nan 0.000 0.432 851 A N 5.994 128.832 122.820 0.030 0.000 2.342 851 A HA 0.914 5.234 4.320 -0.000 0.000 0.323 851 A C -0.832 176.706 177.584 -0.076 0.000 1.125 851 A CA -0.547 51.523 52.037 0.055 0.000 0.785 851 A CB 0.912 19.892 19.000 -0.033 0.000 1.221 851 A HN 0.769 nan 8.150 nan 0.000 0.463 852 I N 3.380 123.909 120.570 -0.068 0.000 2.410 852 I HA 0.336 4.506 4.170 -0.000 0.000 0.286 852 I C -0.428 175.635 176.117 -0.090 0.000 1.009 852 I CA -0.478 60.768 61.300 -0.090 0.000 1.111 852 I CB 1.668 39.621 38.000 -0.078 0.000 1.262 852 I HN 0.734 nan 8.210 nan 0.000 0.443 853 I N 4.760 125.264 120.570 -0.110 0.000 2.331 853 I HA 0.604 4.774 4.170 -0.000 0.000 0.292 853 I C -0.319 175.757 176.117 -0.068 0.000 0.998 853 I CA 0.552 61.794 61.300 -0.096 0.000 1.267 853 I CB 1.660 39.589 38.000 -0.119 0.000 1.386 853 I HN 0.528 nan 8.210 nan 0.000 0.476 854 T N 3.361 117.883 114.554 -0.053 0.000 2.838 854 T HA 0.350 4.700 4.350 -0.000 0.000 0.292 854 T C -0.422 174.257 174.700 -0.035 0.000 1.113 854 T CA 0.056 62.132 62.100 -0.041 0.000 1.008 854 T CB 1.183 70.029 68.868 -0.036 0.000 1.259 854 T HN 0.910 nan 8.240 nan 0.000 0.520 855 D N 0.559 120.941 120.400 -0.030 0.000 2.746 855 D HA -0.137 4.503 4.640 -0.000 0.000 0.236 855 D C -0.669 175.611 176.300 -0.032 0.000 1.129 855 D CA 0.763 54.747 54.000 -0.027 0.000 0.691 855 D CB -1.312 39.476 40.800 -0.021 0.000 1.077 855 D HN 0.508 nan 8.370 nan 0.000 0.432 856 I N -0.005 120.540 120.570 -0.041 0.000 2.785 856 I HA 0.404 4.574 4.170 -0.000 0.000 0.302 856 I C -0.780 175.294 176.117 -0.071 0.000 1.069 856 I CA -0.773 60.490 61.300 -0.061 0.000 1.045 856 I CB 1.867 39.824 38.000 -0.072 0.000 1.236 856 I HN -0.103 nan 8.210 nan 0.000 0.429 857 D N 6.530 126.865 120.400 -0.108 0.000 2.621 857 D HA 0.275 4.915 4.640 -0.000 0.000 0.274 857 D C -1.227 174.954 176.300 -0.198 0.000 1.215 857 D CA -0.209 53.729 54.000 -0.103 0.000 0.810 857 D CB 0.411 41.178 40.800 -0.056 0.000 1.248 857 D HN 0.238 nan 8.370 nan 0.000 0.517 858 L N 2.742 123.807 121.223 -0.264 0.000 2.282 858 L HA 0.370 4.710 4.340 -0.000 0.000 0.287 858 L C 0.555 177.402 176.870 -0.038 0.000 1.075 858 L CA -0.617 53.883 54.840 -0.566 0.000 0.839 858 L CB 0.615 42.324 42.059 -0.583 0.000 1.219 858 L HN 0.118 nan 8.230 nan 0.000 0.434 859 L N 3.650 124.940 121.223 0.112 0.000 2.490 859 L HA 0.015 4.354 4.340 -0.000 0.000 0.274 859 L C 0.362 177.350 176.870 0.198 0.000 1.201 859 L CA -0.346 54.568 54.840 0.123 0.000 0.869 859 L CB 0.557 42.680 42.059 0.107 0.000 1.123 859 L HN 0.439 nan 8.230 nan 0.000 0.484 860 L N 3.817 125.057 121.223 0.029 0.000 2.513 860 L HA 0.274 4.614 4.340 -0.000 0.000 0.272 860 L C 0.994 177.906 176.870 0.070 0.000 1.187 860 L CA 1.485 56.337 54.840 0.020 0.000 0.895 860 L CB 0.469 42.369 42.059 -0.266 0.000 1.147 860 L HN 0.822 nan 8.230 nan 0.000 0.483 861 G N 2.464 111.351 108.800 0.144 0.000 2.176 861 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.232 861 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.232 861 G C 0.124 175.082 174.900 0.096 0.000 0.986 861 G CA 0.044 45.204 45.100 0.100 0.000 0.643 861 G HN 0.582 nan 8.290 nan 0.000 0.522 862 E N 0.218 120.502 120.200 0.141 0.000 2.202 862 E HA 0.668 5.018 4.350 -0.000 0.000 0.272 862 E C 0.295 176.884 176.600 -0.019 0.000 0.951 862 E CA -0.002 56.423 56.400 0.041 0.000 0.813 862 E CB 1.805 31.461 29.700 -0.074 0.000 1.151 862 E HN 0.720 nan 8.360 nan 0.000 0.398 863 A N 3.100 125.862 122.820 -0.098 0.000 2.366 863 A HA 0.515 4.835 4.320 -0.000 0.000 0.272 863 A C -1.115 176.317 177.584 -0.253 0.000 1.135 863 A CA -0.082 51.914 52.037 -0.068 0.000 0.804 863 A CB 0.012 18.999 19.000 -0.023 0.000 1.064 863 A HN 0.514 nan 8.150 nan 0.000 0.499 864 Y N -0.030 120.333 120.300 0.105 0.000 2.576 864 Y HA 0.584 5.134 4.550 -0.000 0.000 0.346 864 Y C 0.384 176.325 175.900 0.068 0.000 1.018 864 Y CA -0.530 57.623 58.100 0.089 0.000 1.050 864 Y CB 2.645 41.134 38.460 0.048 0.000 1.280 864 Y HN 0.547 nan 8.280 nan 0.000 0.474 865 T N 2.130 116.826 114.554 0.237 0.000 2.812 865 T HA 0.564 4.914 4.350 -0.000 0.000 0.282 865 T C -1.191 173.590 174.700 0.136 0.000 0.990 865 T CA -0.646 61.536 62.100 0.137 0.000 0.960 865 T CB 1.085 69.993 68.868 0.067 0.000 0.948 865 T HN 0.303 nan 8.240 nan 0.000 0.438 866 V N 4.013 123.995 119.914 0.115 0.000 2.409 866 V HA 0.476 4.596 4.120 -0.000 0.000 0.291 866 V C -0.176 175.967 176.094 0.082 0.000 1.020 866 V CA -0.726 61.664 62.300 0.150 0.000 0.848 866 V CB 1.494 33.443 31.823 0.209 0.000 0.990 866 V HN 0.858 nan 8.190 nan 0.000 0.430 867 E N 4.127 124.364 120.200 0.060 0.000 2.288 867 E HA 0.684 5.033 4.350 -0.000 0.000 0.268 867 E C -1.353 175.280 176.600 0.056 0.000 0.885 867 E CA -0.693 55.613 56.400 -0.156 0.000 0.767 867 E CB 2.628 32.239 29.700 -0.149 0.000 1.220 867 E HN 0.709 nan 8.360 nan 0.000 0.427 868 W N 0.906 122.149 121.300 -0.095 0.000 3.038 868 W HA 0.841 5.501 4.660 -0.000 0.000 0.347 868 W C -1.449 174.946 176.519 -0.206 0.000 1.219 868 W CA -1.016 56.236 57.345 -0.156 0.000 1.142 868 W CB 0.496 29.831 29.460 -0.208 0.000 1.484 868 W HN 0.542 nan 8.180 nan 0.000 0.586 869 A N 0.279 123.108 122.820 0.015 0.000 2.387 869 A HA 0.881 5.201 4.320 -0.000 0.000 0.303 869 A C -1.650 175.810 177.584 -0.207 0.000 1.145 869 A CA -0.713 51.269 52.037 -0.093 0.000 0.801 869 A CB 1.174 20.154 19.000 -0.033 0.000 1.342 869 A HN 0.861 nan 8.150 nan 0.000 0.440 870 H N 0.000 119.122 119.070 0.087 0.000 2.539 870 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 870 H CA 0.000 56.077 56.048 0.047 0.000 1.023 870 H CB 0.000 29.795 29.762 0.055 0.000 1.292 870 H HN 0.000 nan 8.280 nan 0.000 0.496