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 3i7p_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSYNYVVTAQ KPTAVNGcVT GHFTSAEDLN LLIAKNTRLE IYVVTAEGLR DATA SEQUENCE PVKEVGMYGK IAVMELFRPK GESKDLLFIL TAKYNACILE YKQSGESIDI DATA SEQUENCE ITRAHGNVQD RIGRPSETGI IGIIDPECRM IGLRLYDGLF KVIPLDRDNK DATA SEQUENCE ELKAFNIRLE ELHVIDVKFL YGCQAPTICF VYQDPQGRHV KTYEVSLREK DATA SEQUENCE EFNKGPWKQE NVEAEASMVI AVPEPFGGAI IIGQESITYH NGDKYLAIAP DATA SEQUENCE PIIKQSTIVC HNRVDPNGSR YLLGDMEGRL FMLLLEKEEQ MDGTVTLKDL DATA SEQUENCE RVELLGETSI AEcLTYLDNG VVFVGSRLGD SQLVKLNVDS NEQGSYVVAM DATA SEQUENCE ETFTNLGPIV DMCVVDLERQ GQGQLVTCSG AFKEGSLRII RNGIGIHEHA DATA SEQUENCE SIDLPGIKGL WPLRSDPNRE TYDTLVLSFV GQTRVLMLNG EEVEETELMG DATA SEQUENCE FVDDQQTFFC GNVAHQQLIQ ITSASVRLVS QEPKALVSEW KEPQAKNISV DATA SEQUENCE ASCNSSQVVV AVGRALYYLQ IHPQELRQIS HTEMEHEVAC LDITPLGDSN DATA SEQUENCE GLSPLCAIGL WTDISARILK LPSFELLHKE MLGGEIIPRS ILMTTFESSH DATA SEQUENCE YLLCALGDGA LFYFGLNIET GLLSDRKKVT LGTQPTVLRT FRSLSTTNVF DATA SEQUENCE ACSDRPTVIY SSNHKLVFSN VNLKEVNYMC PLNSDGYPDS LALANNSTLT DATA SEQUENCE IGTIDEIQKL HIRTVPLYES PRKICYQEVS QCFGVLSSRI EVQDTSGGTT DATA SEQUENCE ALRPSASTQA LSSSVSSSKL FSSXXXXXXX XXGEEVEVHN LLIIDQHTFE DATA SEQUENCE VLHAHQFLQN EYALSLVSCK LGKDPNTYFI VGTAMVYPEE AEPKQGRIVV DATA SEQUENCE FQYSDGKLQT VAEKEVKGAV YSMVEFNGKL LASINSTVRL YEWTTEKDVR DATA SEQUENCE TECNHYNNIM ALYLKTKGDF ILVGDLMRSV LLLAYKPMEG NFEEIARDFN DATA SEQUENCE PNWMSAVEIL DDDNFLGAEN AFNLFVCQKD SAATTDEERQ HLQEVGLFHL DATA SEQUENCE GEFVNVFCHG SLVMQXXXXX XXPTQGSVLF GTVNGMIGLV TSLSESWYNL DATA SEQUENCE LLDMQNRLNK VIKSVGKIEH SFWRSFHTER KTEPATGFID GDLIESFLDI DATA SEQUENCE SRPKMQEVVA NXXXXXXXXX XREATADDLI KVVEELTRIH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.704 176.300 -0.994 0.000 1.140 1 M CA 0.000 54.944 55.300 -0.593 0.000 0.988 1 M CB 0.000 32.432 32.600 -0.280 0.000 1.302 2 S N 1.199 116.322 115.700 -0.961 0.000 2.454 2 S HA 0.847 5.319 4.470 0.003 0.000 0.306 2 S C -1.599 172.452 174.600 -0.916 0.000 1.100 2 S CA -0.291 57.408 58.200 -0.835 0.000 1.087 2 S CB 0.909 63.835 63.200 -0.457 0.000 1.019 2 S HN 0.477 nan 8.310 nan 0.000 0.480 3 Y N 3.748 123.855 120.300 -0.321 0.000 2.646 3 Y HA 0.506 5.058 4.550 0.003 0.000 0.334 3 Y C 0.250 176.080 175.900 -0.116 0.000 1.004 3 Y CA -1.175 56.779 58.100 -0.244 0.000 1.301 3 Y CB 0.615 38.976 38.460 -0.165 0.000 1.093 3 Y HN 0.575 nan 8.280 nan 0.000 0.530 4 N N 1.323 119.954 118.700 -0.115 0.000 2.457 4 N HA 0.380 5.122 4.740 0.003 0.000 0.290 4 N C -1.751 173.796 175.510 0.061 0.000 1.232 4 N CA -0.869 52.092 53.050 -0.149 0.000 0.852 4 N CB 2.645 40.784 38.487 -0.580 0.000 1.313 4 N HN 0.553 nan 8.380 nan 0.000 0.522 5 Y N 0.599 120.904 120.300 0.009 0.000 2.346 5 Y HA 0.390 4.942 4.550 0.004 0.000 0.332 5 Y C -0.911 175.037 175.900 0.079 0.000 0.985 5 Y CA -0.834 57.301 58.100 0.058 0.000 1.112 5 Y CB 0.925 39.427 38.460 0.070 0.000 1.170 5 Y HN 0.273 nan 8.280 nan 0.000 0.447 6 V N 4.655 124.420 119.914 -0.247 0.000 2.513 6 V HA 0.927 5.049 4.120 0.003 0.000 0.299 6 V C -1.071 174.888 176.094 -0.225 0.000 1.035 6 V CA -0.868 61.361 62.300 -0.119 0.000 0.889 6 V CB 1.009 32.748 31.823 -0.141 0.000 0.988 6 V HN 0.568 nan 8.190 nan 0.000 0.440 7 V N 1.825 121.693 119.914 -0.076 0.000 2.841 7 V HA 0.505 4.627 4.120 0.003 0.000 0.310 7 V C 0.280 176.301 176.094 -0.122 0.000 1.090 7 V CA -0.540 61.694 62.300 -0.110 0.000 0.930 7 V CB 1.906 33.654 31.823 -0.125 0.000 1.014 7 V HN 0.936 nan 8.190 nan 0.000 0.425 8 T N 2.843 117.360 114.554 -0.062 0.000 2.834 8 T HA 0.403 4.755 4.350 0.003 0.000 0.298 8 T C 1.016 175.630 174.700 -0.143 0.000 0.966 8 T CA 0.626 62.690 62.100 -0.060 0.000 1.141 8 T CB 1.407 70.300 68.868 0.041 0.000 0.905 8 T HN 1.020 nan 8.240 nan 0.000 0.535 9 A N 3.178 125.901 122.820 -0.162 0.000 2.140 9 A HA 0.307 4.629 4.320 0.003 0.000 0.209 9 A C 0.873 178.489 177.584 0.054 0.000 1.181 9 A CA 0.236 52.254 52.037 -0.032 0.000 0.824 9 A CB 0.235 19.182 19.000 -0.089 0.000 0.879 9 A HN 0.606 nan 8.150 nan 0.000 0.480 10 Q N 0.409 120.201 119.800 -0.013 0.000 2.334 10 Q HA 0.386 4.728 4.340 0.003 0.000 0.249 10 Q C -1.428 174.571 176.000 -0.002 0.000 0.909 10 Q CA -0.290 55.511 55.803 -0.003 0.000 0.823 10 Q CB 0.701 29.420 28.738 -0.031 0.000 1.353 10 Q HN 0.289 nan 8.270 nan 0.000 0.433 11 K N 4.171 124.580 120.400 0.016 0.000 2.336 11 K HA 0.249 4.571 4.320 0.003 0.000 0.262 11 K C -2.267 174.338 176.600 0.008 0.000 0.992 11 K CA -1.280 55.019 56.287 0.020 0.000 0.927 11 K CB -0.048 32.463 32.500 0.019 0.000 0.956 11 K HN 0.457 nan 8.250 nan 0.000 0.495 12 P HA -0.113 nan 4.420 nan 0.000 0.264 12 P C 0.228 177.525 177.300 -0.006 0.000 1.179 12 P CA 0.534 63.634 63.100 0.001 0.000 0.763 12 P CB 0.571 32.269 31.700 -0.004 0.000 0.806 13 T N -0.744 113.805 114.554 -0.008 0.000 2.971 13 T HA 0.369 4.721 4.350 0.003 0.000 0.252 13 T C 0.803 175.504 174.700 0.000 0.000 1.022 13 T CA -0.058 62.041 62.100 -0.002 0.000 0.980 13 T CB -0.036 68.829 68.868 -0.004 0.000 1.044 13 T HN 0.381 nan 8.240 nan 0.000 0.501 14 A N 1.190 124.003 122.820 -0.011 0.000 2.366 14 A HA 0.639 4.961 4.320 0.003 0.000 0.249 14 A C -0.209 177.370 177.584 -0.008 0.000 1.084 14 A CA -0.392 51.638 52.037 -0.013 0.000 0.794 14 A CB 0.486 19.470 19.000 -0.027 0.000 1.034 14 A HN 0.346 nan 8.150 nan 0.000 0.491 15 V N 2.576 122.490 119.914 -0.000 0.000 2.407 15 V HA 0.243 4.365 4.120 0.003 0.000 0.291 15 V C 0.036 176.130 176.094 -0.000 0.000 1.018 15 V CA -0.619 61.692 62.300 0.019 0.000 0.842 15 V CB 1.414 33.285 31.823 0.079 0.000 0.996 15 V HN 0.984 nan 8.190 nan 0.000 0.426 16 N N 3.464 122.154 118.700 -0.017 0.000 2.322 16 N HA 0.219 4.961 4.740 0.003 0.000 0.181 16 N C 0.547 176.041 175.510 -0.028 0.000 1.088 16 N CA 0.653 53.682 53.050 -0.036 0.000 0.885 16 N CB 1.665 40.114 38.487 -0.063 0.000 1.013 16 N HN 0.752 nan 8.380 nan 0.000 0.472 17 G N 0.324 109.117 108.800 -0.012 0.000 2.755 17 G HA2 0.497 4.459 3.960 0.003 0.000 0.297 17 G HA3 0.497 4.459 3.960 0.003 0.000 0.297 17 G C -1.266 173.642 174.900 0.014 0.000 1.441 17 G CA -0.524 44.569 45.100 -0.012 0.000 0.964 17 G HN 0.202 nan 8.290 nan 0.000 0.540 18 c N -0.308 118.311 118.600 0.032 0.000 3.006 18 c HA 0.895 5.467 4.570 0.003 0.000 0.359 18 c C -0.895 173.211 174.090 0.026 0.000 1.103 18 c CA -0.974 55.376 56.329 0.036 0.000 1.286 18 c CB 0.959 43.567 42.510 0.163 0.000 1.694 18 c HN 1.091 nan 8.230 nan 0.000 0.511 19 V N 1.164 121.070 119.914 -0.014 0.000 3.114 19 V HA 0.890 5.012 4.120 0.003 0.000 0.308 19 V C -0.397 175.682 176.094 -0.024 0.000 1.168 19 V CA 0.324 62.626 62.300 0.002 0.000 1.015 19 V CB 2.584 34.404 31.823 -0.005 0.000 1.050 19 V HN 1.259 nan 8.190 nan 0.000 0.433 20 T N 1.976 116.531 114.554 0.002 0.000 2.916 20 T HA 0.934 5.286 4.350 0.003 0.000 0.292 20 T C -0.341 174.340 174.700 -0.031 0.000 1.055 20 T CA 0.409 62.490 62.100 -0.032 0.000 1.009 20 T CB 1.440 70.293 68.868 -0.024 0.000 1.118 20 T HN 1.925 nan 8.240 nan 0.000 0.497 21 G N 1.492 110.219 108.800 -0.121 0.000 2.369 21 G HA2 0.190 4.152 3.960 0.003 0.000 0.293 21 G HA3 0.190 4.152 3.960 0.003 0.000 0.293 21 G C -1.730 173.029 174.900 -0.235 0.000 1.301 21 G CA -0.869 44.138 45.100 -0.157 0.000 0.913 21 G HN 0.825 nan 8.290 nan 0.000 0.540 22 H N 0.460 119.576 119.070 0.077 0.000 2.652 22 H HA 0.412 4.970 4.556 0.003 0.000 0.233 22 H C 0.694 176.072 175.328 0.084 0.000 1.762 22 H CA -0.487 55.599 56.048 0.062 0.000 1.285 22 H CB 0.287 30.072 29.762 0.039 0.000 1.668 22 H HN 0.392 nan 8.280 nan 0.000 0.550 23 F N 0.628 120.573 119.950 -0.007 0.000 2.335 23 F HA -0.058 4.471 4.527 0.003 0.000 0.296 23 F C 1.765 177.565 175.800 0.000 0.000 1.091 23 F CA 1.022 59.003 58.000 -0.031 0.000 1.399 23 F CB 0.265 39.205 39.000 -0.101 0.000 1.067 23 F HN 0.267 nan 8.300 nan 0.000 0.520 24 T N -0.573 113.933 114.554 -0.080 0.000 2.814 24 T HA 0.118 4.470 4.350 0.003 0.000 0.254 24 T C 0.329 175.065 174.700 0.060 0.000 1.037 24 T CA 1.150 63.193 62.100 -0.095 0.000 1.143 24 T CB -0.112 68.650 68.868 -0.175 0.000 0.866 24 T HN 0.135 nan 8.240 nan 0.000 0.431 25 S N -0.489 115.242 115.700 0.051 0.000 2.588 25 S HA 0.689 5.161 4.470 0.003 0.000 0.275 25 S C 0.856 175.502 174.600 0.076 0.000 1.130 25 S CA -0.466 57.764 58.200 0.049 0.000 0.855 25 S CB 1.767 64.996 63.200 0.049 0.000 1.116 25 S HN 0.237 nan 8.310 nan 0.000 0.472 26 A N 0.271 123.109 122.820 0.029 0.000 2.121 26 A HA 0.062 4.384 4.320 0.003 0.000 0.218 26 A C 0.251 177.806 177.584 -0.048 0.000 1.154 26 A CA 1.055 53.084 52.037 -0.014 0.000 0.679 26 A CB -0.486 18.487 19.000 -0.045 0.000 0.795 26 A HN 0.756 nan 8.150 nan 0.000 0.458 27 E N 0.834 121.052 120.200 0.029 0.000 2.255 27 E HA 0.630 4.982 4.350 0.003 0.000 0.245 27 E C -1.488 175.187 176.600 0.125 0.000 0.909 27 E CA -0.517 55.922 56.400 0.066 0.000 0.747 27 E CB 0.854 30.570 29.700 0.025 0.000 1.215 27 E HN 0.121 nan 8.360 nan 0.000 0.424 28 D N 1.270 121.817 120.400 0.245 0.000 2.785 28 D HA 0.172 4.814 4.640 0.003 0.000 0.239 28 D C -1.858 174.506 176.300 0.106 0.000 1.142 28 D CA -0.602 53.481 54.000 0.138 0.000 0.734 28 D CB 1.564 42.410 40.800 0.076 0.000 1.820 28 D HN 0.299 nan 8.370 nan 0.000 0.461 29 L N 2.770 123.981 121.223 -0.021 0.000 2.287 29 L HA 0.531 4.873 4.340 0.003 0.000 0.287 29 L C -0.782 176.015 176.870 -0.121 0.000 1.022 29 L CA -0.279 54.458 54.840 -0.172 0.000 0.814 29 L CB 0.887 42.876 42.059 -0.117 0.000 1.217 29 L HN 0.211 nan 8.230 nan 0.000 0.420 30 N N 4.394 123.004 118.700 -0.150 0.000 2.361 30 N HA 0.420 5.162 4.740 0.003 0.000 0.302 30 N C -1.298 174.151 175.510 -0.100 0.000 1.074 30 N CA -0.521 52.474 53.050 -0.091 0.000 0.850 30 N CB 2.468 40.923 38.487 -0.054 0.000 1.228 30 N HN 0.418 nan 8.380 nan 0.000 0.491 31 L N 2.671 123.845 121.223 -0.082 0.000 2.265 31 L HA 0.424 4.766 4.340 0.003 0.000 0.289 31 L C -1.242 175.571 176.870 -0.094 0.000 1.033 31 L CA -0.560 54.205 54.840 -0.125 0.000 0.814 31 L CB 0.573 42.486 42.059 -0.244 0.000 1.203 31 L HN 0.308 nan 8.230 nan 0.000 0.423 32 L N 6.795 127.937 121.223 -0.134 0.000 2.265 32 L HA 0.460 4.802 4.340 0.003 0.000 0.288 32 L C -0.292 176.489 176.870 -0.148 0.000 1.058 32 L CA 0.332 55.073 54.840 -0.165 0.000 0.809 32 L CB 0.974 42.902 42.059 -0.218 0.000 1.179 32 L HN 0.512 nan 8.230 nan 0.000 0.429 33 I N 3.265 123.754 120.570 -0.135 0.000 2.406 33 I HA 0.504 4.676 4.170 0.003 0.000 0.290 33 I C 0.061 176.118 176.117 -0.099 0.000 0.999 33 I CA -0.650 60.584 61.300 -0.111 0.000 1.124 33 I CB 1.829 39.757 38.000 -0.120 0.000 1.289 33 I HN 0.655 nan 8.210 nan 0.000 0.441 34 A N 6.318 129.091 122.820 -0.080 0.000 2.302 34 A HA 0.487 4.809 4.320 0.003 0.000 0.295 34 A C 0.234 177.781 177.584 -0.063 0.000 1.235 34 A CA -0.355 51.628 52.037 -0.089 0.000 0.876 34 A CB 0.559 19.502 19.000 -0.096 0.000 1.133 34 A HN 0.671 nan 8.150 nan 0.000 0.533 35 K N 1.298 121.656 120.400 -0.071 0.000 2.849 35 K HA 0.149 4.471 4.320 0.003 0.000 0.175 35 K C 1.472 178.030 176.600 -0.070 0.000 1.113 35 K CA 1.313 57.567 56.287 -0.054 0.000 1.286 35 K CB -0.179 32.293 32.500 -0.046 0.000 1.776 35 K HN 0.693 nan 8.250 nan 0.000 0.472 36 N N -1.367 117.290 118.700 -0.072 0.000 2.672 36 N HA -0.020 4.722 4.740 0.003 0.000 0.229 36 N C -0.159 175.281 175.510 -0.117 0.000 1.043 36 N CA 1.302 54.298 53.050 -0.090 0.000 0.932 36 N CB 0.549 38.994 38.487 -0.070 0.000 1.500 36 N HN 0.328 nan 8.380 nan 0.000 0.445 37 T N -1.919 112.573 114.554 -0.103 0.000 3.516 37 T HA 0.513 4.865 4.350 0.003 0.000 0.300 37 T C -0.248 174.380 174.700 -0.120 0.000 0.995 37 T CA -0.621 61.386 62.100 -0.155 0.000 0.982 37 T CB 0.211 69.007 68.868 -0.119 0.000 1.199 37 T HN -0.099 nan 8.240 nan 0.000 0.481 38 R N 0.926 121.361 120.500 -0.109 0.000 2.574 38 R HA 0.610 4.952 4.340 0.003 0.000 0.288 38 R C -1.894 174.332 176.300 -0.124 0.000 1.004 38 R CA -0.832 55.207 56.100 -0.101 0.000 0.895 38 R CB 2.539 32.798 30.300 -0.068 0.000 1.191 38 R HN 0.294 nan 8.270 nan 0.000 0.444 39 L N 2.191 123.328 121.223 -0.142 0.000 2.349 39 L HA 0.442 4.784 4.340 0.003 0.000 0.278 39 L C -0.563 176.196 176.870 -0.184 0.000 0.996 39 L CA -0.238 54.502 54.840 -0.166 0.000 0.825 39 L CB 1.656 43.604 42.059 -0.185 0.000 1.243 39 L HN 0.519 nan 8.230 nan 0.000 0.412 40 E N 4.510 124.589 120.200 -0.202 0.000 2.175 40 E HA 0.560 4.912 4.350 0.003 0.000 0.278 40 E C -1.039 175.327 176.600 -0.389 0.000 0.969 40 E CA -0.250 55.957 56.400 -0.322 0.000 0.796 40 E CB 1.623 31.171 29.700 -0.253 0.000 1.104 40 E HN 0.530 nan 8.360 nan 0.000 0.395 41 I N 3.565 123.821 120.570 -0.523 0.000 2.433 41 I HA 0.364 4.536 4.170 0.003 0.000 0.292 41 I C -0.958 174.778 176.117 -0.636 0.000 1.001 41 I CA -0.646 60.394 61.300 -0.433 0.000 1.119 41 I CB 0.869 38.683 38.000 -0.310 0.000 1.289 41 I HN 0.499 nan 8.210 nan 0.000 0.438 42 Y N 3.855 124.039 120.300 -0.193 0.000 2.576 42 Y HA 0.614 5.166 4.550 0.003 0.000 0.346 42 Y C -0.354 175.457 175.900 -0.147 0.000 1.018 42 Y CA -1.024 56.974 58.100 -0.170 0.000 1.050 42 Y CB 2.070 40.405 38.460 -0.208 0.000 1.280 42 Y HN 0.093 nan 8.280 nan 0.000 0.474 43 V N 2.749 122.702 119.914 0.065 0.000 2.483 43 V HA 0.370 4.492 4.120 0.003 0.000 0.295 43 V C -0.449 175.655 176.094 0.017 0.000 1.035 43 V CA -1.062 61.246 62.300 0.014 0.000 0.896 43 V CB 1.365 33.189 31.823 0.002 0.000 0.986 43 V HN 0.511 nan 8.190 nan 0.000 0.447 44 V N 4.661 124.563 119.914 -0.021 0.000 2.555 44 V HA 0.554 4.676 4.120 0.003 0.000 0.286 44 V C 0.647 176.731 176.094 -0.017 0.000 1.044 44 V CA 0.216 62.493 62.300 -0.038 0.000 1.026 44 V CB 0.828 32.611 31.823 -0.067 0.000 0.981 44 V HN 1.148 nan 8.190 nan 0.000 0.480 45 T N 1.121 115.668 114.554 -0.012 0.000 2.654 45 T HA 0.692 5.044 4.350 0.003 0.000 0.289 45 T C 0.962 175.661 174.700 -0.001 0.000 1.062 45 T CA -0.044 62.057 62.100 0.001 0.000 1.041 45 T CB 1.651 70.527 68.868 0.014 0.000 1.417 45 T HN 0.621 nan 8.240 nan 0.000 0.510 46 A N 0.200 123.025 122.820 0.007 0.000 1.877 46 A HA -0.049 4.273 4.320 0.003 0.000 0.216 46 A C 2.116 179.705 177.584 0.009 0.000 1.186 46 A CA 1.859 53.901 52.037 0.008 0.000 0.620 46 A CB -1.146 17.862 19.000 0.014 0.000 0.822 46 A HN 0.900 nan 8.150 nan 0.000 0.443 47 E N -0.573 119.636 120.200 0.015 0.000 2.268 47 E HA 0.097 4.449 4.350 0.003 0.000 0.195 47 E C 1.219 177.828 176.600 0.015 0.000 0.995 47 E CA 1.228 57.639 56.400 0.018 0.000 0.836 47 E CB -0.133 29.584 29.700 0.028 0.000 0.763 47 E HN 0.667 nan 8.360 nan 0.000 0.491 48 G N 0.039 108.844 108.800 0.007 0.000 2.145 48 G HA2 -0.151 3.811 3.960 0.003 0.000 0.203 48 G HA3 -0.151 3.811 3.960 0.003 0.000 0.203 48 G C -1.242 173.646 174.900 -0.019 0.000 1.096 48 G CA -0.102 44.997 45.100 -0.001 0.000 1.282 48 G HN 0.081 nan 8.290 nan 0.000 0.474 49 L N 1.695 122.902 121.223 -0.028 0.000 2.298 49 L HA 0.624 4.966 4.340 0.003 0.000 0.284 49 L C 0.702 177.614 176.870 0.070 0.000 1.013 49 L CA -0.665 54.138 54.840 -0.062 0.000 0.824 49 L CB 1.263 43.104 42.059 -0.363 0.000 1.221 49 L HN 0.638 nan 8.230 nan 0.000 0.418 50 R N 5.455 126.018 120.500 0.105 0.000 2.220 50 R HA 0.330 4.672 4.340 0.003 0.000 0.340 50 R C -2.255 174.151 176.300 0.177 0.000 1.076 50 R CA -1.446 54.725 56.100 0.119 0.000 0.920 50 R CB 0.681 31.020 30.300 0.064 0.000 1.062 50 R HN 0.297 nan 8.270 nan 0.000 0.469 51 P HA -0.061 nan 4.420 nan 0.000 0.262 51 P C -0.238 177.010 177.300 -0.086 0.000 1.199 51 P CA 0.053 63.162 63.100 0.016 0.000 0.763 51 P CB 1.252 32.988 31.700 0.060 0.000 0.790 52 V N 2.755 122.543 119.914 -0.210 0.000 2.950 52 V HA 0.235 4.357 4.120 0.003 0.000 0.231 52 V C 0.419 176.438 176.094 -0.125 0.000 1.205 52 V CA 1.125 63.346 62.300 -0.131 0.000 1.239 52 V CB -0.021 31.710 31.823 -0.154 0.000 1.050 52 V HN 0.377 nan 8.190 nan 0.000 0.498 53 K N 0.611 120.883 120.400 -0.214 0.000 2.550 53 K HA 0.380 4.702 4.320 0.003 0.000 0.252 53 K C -1.340 175.139 176.600 -0.202 0.000 0.943 53 K CA -0.192 56.013 56.287 -0.137 0.000 0.806 53 K CB 1.834 34.333 32.500 -0.002 0.000 1.289 53 K HN 0.046 nan 8.250 nan 0.000 0.435 54 E N 4.335 124.445 120.200 -0.151 0.000 2.346 54 E HA 0.261 4.613 4.350 0.003 0.000 0.239 54 E C -0.957 175.582 176.600 -0.102 0.000 0.943 54 E CA -0.574 55.733 56.400 -0.155 0.000 0.751 54 E CB 0.941 30.556 29.700 -0.140 0.000 1.241 54 E HN 0.498 nan 8.360 nan 0.000 0.423 55 V N 0.760 120.612 119.914 -0.104 0.000 2.713 55 V HA 0.907 5.029 4.120 0.003 0.000 0.307 55 V C 0.627 176.653 176.094 -0.113 0.000 1.052 55 V CA -0.800 61.444 62.300 -0.093 0.000 0.967 55 V CB 1.687 33.461 31.823 -0.082 0.000 1.019 55 V HN 0.465 nan 8.190 nan 0.000 0.459 56 G N 2.064 110.793 108.800 -0.118 0.000 2.454 56 G HA2 0.729 4.691 3.960 0.003 0.000 0.329 56 G HA3 0.729 4.691 3.960 0.003 0.000 0.329 56 G C -0.976 173.795 174.900 -0.215 0.000 1.177 56 G CA -0.955 44.067 45.100 -0.130 0.000 0.951 56 G HN 0.680 nan 8.290 nan 0.000 0.485 57 M N -0.348 119.103 119.600 -0.248 0.000 2.727 57 M HA 0.331 4.813 4.480 0.003 0.000 0.300 57 M C -1.029 175.010 176.300 -0.435 0.000 1.246 57 M CA -0.814 54.270 55.300 -0.360 0.000 0.835 57 M CB 2.627 35.035 32.600 -0.320 0.000 1.755 57 M HN 0.474 nan 8.290 nan 0.000 0.473 58 Y N 0.564 120.490 120.300 -0.622 0.000 2.897 58 Y HA 0.573 5.125 4.550 0.004 0.000 0.372 58 Y C 0.579 175.559 175.900 -1.532 0.000 1.034 58 Y CA -0.815 56.562 58.100 -1.204 0.000 1.627 58 Y CB -0.168 38.013 38.460 -0.466 0.000 1.474 58 Y HN 0.681 nan 8.280 nan 0.000 0.517 59 G N -0.161 107.829 108.800 -1.350 0.000 2.523 59 G HA2 0.399 4.361 3.960 0.003 0.000 0.291 59 G HA3 0.399 4.361 3.960 0.003 0.000 0.291 59 G C -1.511 173.041 174.900 -0.579 0.000 1.450 59 G CA -1.219 43.367 45.100 -0.857 0.000 0.790 59 G HN -0.000 nan 8.290 nan 0.000 0.496 60 K N 0.794 121.045 120.400 -0.249 0.000 2.262 60 K HA 0.396 4.718 4.320 0.003 0.000 0.282 60 K C 0.152 176.635 176.600 -0.195 0.000 1.066 60 K CA -0.426 55.755 56.287 -0.177 0.000 0.901 60 K CB 1.852 34.288 32.500 -0.108 0.000 1.089 60 K HN 0.360 nan 8.250 nan 0.000 0.476 61 I N 3.222 123.672 120.570 -0.199 0.000 2.792 61 I HA -0.146 4.026 4.170 0.003 0.000 0.284 61 I C 1.120 177.135 176.117 -0.171 0.000 1.166 61 I CA 0.313 61.496 61.300 -0.196 0.000 1.375 61 I CB 0.448 38.336 38.000 -0.187 0.000 1.421 61 I HN 0.808 nan 8.210 nan 0.000 0.544 62 A N 6.475 129.185 122.820 -0.183 0.000 2.197 62 A HA 0.413 4.735 4.320 0.003 0.000 0.210 62 A C 0.550 178.057 177.584 -0.127 0.000 1.180 62 A CA 0.282 52.227 52.037 -0.155 0.000 0.846 62 A CB 0.536 19.427 19.000 -0.182 0.000 0.884 62 A HN 0.455 nan 8.150 nan 0.000 0.487 63 V N -0.245 119.575 119.914 -0.156 0.000 2.851 63 V HA 0.552 4.675 4.120 0.003 0.000 0.307 63 V C -0.795 175.195 176.094 -0.173 0.000 1.129 63 V CA -0.307 61.926 62.300 -0.111 0.000 0.932 63 V CB 1.734 33.523 31.823 -0.056 0.000 1.024 63 V HN 0.440 nan 8.190 nan 0.000 0.426 64 M N 3.895 123.445 119.600 -0.083 0.000 2.150 64 M HA 0.577 5.059 4.480 0.003 0.000 0.255 64 M C -1.704 174.610 176.300 0.024 0.000 0.963 64 M CA -0.126 55.119 55.300 -0.092 0.000 1.033 64 M CB 1.344 33.874 32.600 -0.116 0.000 2.007 64 M HN 0.643 nan 8.290 nan 0.000 0.462 65 E N 3.767 124.047 120.200 0.134 0.000 2.256 65 E HA 0.567 4.919 4.350 0.003 0.000 0.267 65 E C -1.403 175.353 176.600 0.260 0.000 0.892 65 E CA -0.566 55.965 56.400 0.219 0.000 0.775 65 E CB 2.994 32.878 29.700 0.306 0.000 1.207 65 E HN 0.757 nan 8.360 nan 0.000 0.420 66 L N 2.843 124.191 121.223 0.209 0.000 2.360 66 L HA 0.603 4.945 4.340 0.003 0.000 0.271 66 L C -0.403 176.676 176.870 0.349 0.000 1.057 66 L CA -0.731 54.232 54.840 0.204 0.000 0.803 66 L CB 0.568 42.690 42.059 0.104 0.000 1.207 66 L HN 0.537 nan 8.230 nan 0.000 0.445 67 F N 0.524 120.558 119.950 0.139 0.000 2.770 67 F HA 0.639 5.168 4.527 0.003 0.000 0.313 67 F C -1.196 174.671 175.800 0.111 0.000 1.154 67 F CA -1.249 56.819 58.000 0.113 0.000 0.923 67 F CB 1.543 40.591 39.000 0.080 0.000 1.301 67 F HN 0.296 nan 8.300 nan 0.000 0.449 68 R N 2.626 123.214 120.500 0.147 0.000 2.539 68 R HA 0.612 4.954 4.340 0.003 0.000 0.295 68 R C -3.115 173.272 176.300 0.146 0.000 1.138 68 R CA -1.506 54.612 56.100 0.030 0.000 0.936 68 R CB 1.875 32.196 30.300 0.034 0.000 1.182 68 R HN 0.550 nan 8.270 nan 0.000 0.459 69 P HA 0.240 nan 4.420 nan 0.000 0.293 69 P C -0.915 176.426 177.300 0.068 0.000 1.304 69 P CA -0.625 62.555 63.100 0.132 0.000 0.767 69 P CB 0.567 32.364 31.700 0.162 0.000 1.247 70 K N -0.551 119.881 120.400 0.054 0.000 2.319 70 K HA 0.259 4.581 4.320 0.003 0.000 0.265 70 K C 1.352 177.967 176.600 0.025 0.000 1.000 70 K CA 0.600 56.908 56.287 0.035 0.000 0.943 70 K CB -0.917 31.600 32.500 0.029 0.000 0.950 70 K HN 0.877 nan 8.250 nan 0.000 0.485 71 G N 1.432 110.242 108.800 0.016 0.000 2.233 71 G HA2 -0.262 3.700 3.960 0.003 0.000 0.270 71 G HA3 -0.262 3.700 3.960 0.003 0.000 0.270 71 G C -0.143 174.758 174.900 0.002 0.000 1.011 71 G CA 0.334 45.438 45.100 0.008 0.000 0.762 71 G HN 0.508 nan 8.290 nan 0.000 0.511 72 E N 0.413 120.613 120.200 0.000 0.000 2.167 72 E HA 0.385 4.737 4.350 0.003 0.000 0.284 72 E C 1.740 178.327 176.600 -0.022 0.000 1.016 72 E CA 0.363 56.755 56.400 -0.014 0.000 0.817 72 E CB 1.120 30.806 29.700 -0.022 0.000 1.080 72 E HN 0.368 nan 8.360 nan 0.000 0.397 73 S N 4.129 119.811 115.700 -0.029 0.000 2.369 73 S HA -0.241 4.231 4.470 0.003 0.000 0.225 73 S C 1.021 175.601 174.600 -0.033 0.000 1.043 73 S CA 1.367 59.548 58.200 -0.032 0.000 1.074 73 S CB -0.221 62.956 63.200 -0.039 0.000 0.962 73 S HN 0.602 nan 8.310 nan 0.000 0.433 74 K N 0.298 120.674 120.400 -0.041 0.000 2.126 74 K HA 0.506 4.828 4.320 0.003 0.000 0.245 74 K C -1.783 174.796 176.600 -0.036 0.000 1.068 74 K CA -0.948 55.322 56.287 -0.028 0.000 0.877 74 K CB 0.368 32.852 32.500 -0.027 0.000 1.406 74 K HN -0.149 nan 8.250 nan 0.000 0.490 75 D N 0.781 121.186 120.400 0.008 0.000 2.345 75 D HA 0.302 4.944 4.640 0.003 0.000 0.247 75 D C -0.302 176.001 176.300 0.005 0.000 1.108 75 D CA -0.065 53.938 54.000 0.005 0.000 0.894 75 D CB 0.716 41.594 40.800 0.129 0.000 1.203 75 D HN 0.306 nan 8.370 nan 0.000 0.430 76 L N 1.425 122.514 121.223 -0.223 0.000 2.322 76 L HA 0.454 4.796 4.340 0.003 0.000 0.269 76 L C -0.585 176.209 176.870 -0.126 0.000 1.012 76 L CA -1.195 53.528 54.840 -0.194 0.000 0.815 76 L CB 1.514 43.258 42.059 -0.525 0.000 1.295 76 L HN 0.117 nan 8.230 nan 0.000 0.438 77 L N 2.005 123.330 121.223 0.170 0.000 2.305 77 L HA 0.477 4.819 4.340 0.003 0.000 0.284 77 L C -1.048 176.011 176.870 0.315 0.000 1.013 77 L CA -0.110 54.798 54.840 0.114 0.000 0.819 77 L CB 1.238 43.121 42.059 -0.292 0.000 1.227 77 L HN 0.325 nan 8.230 nan 0.000 0.417 78 F N 6.800 126.924 119.950 0.290 0.000 2.404 78 F HA 0.658 5.187 4.527 0.004 0.000 0.354 78 F C -0.891 174.941 175.800 0.054 0.000 1.122 78 F CA -0.942 57.185 58.000 0.212 0.000 1.080 78 F CB 0.657 39.741 39.000 0.140 0.000 1.131 78 F HN 0.320 nan 8.300 nan 0.000 0.471 79 I N 8.113 128.182 120.570 -0.836 0.000 2.447 79 I HA 0.258 4.430 4.170 0.003 0.000 0.287 79 I C -1.402 174.178 176.117 -0.895 0.000 1.023 79 I CA -0.991 59.836 61.300 -0.788 0.000 1.083 79 I CB 1.845 39.618 38.000 -0.378 0.000 1.245 79 I HN 0.485 nan 8.210 nan 0.000 0.434 80 L N 6.608 127.336 121.223 -0.826 0.000 2.272 80 L HA 0.480 4.822 4.340 0.003 0.000 0.289 80 L C 0.268 176.965 176.870 -0.289 0.000 1.032 80 L CA 0.385 54.959 54.840 -0.444 0.000 0.810 80 L CB 1.628 43.533 42.059 -0.256 0.000 1.205 80 L HN 0.505 nan 8.230 nan 0.000 0.422 81 T N 3.275 117.696 114.554 -0.221 0.000 2.816 81 T HA 0.397 4.749 4.350 0.003 0.000 0.282 81 T C 1.099 175.642 174.700 -0.261 0.000 0.993 81 T CA 0.295 62.274 62.100 -0.202 0.000 0.994 81 T CB 1.453 70.243 68.868 -0.131 0.000 1.025 81 T HN 0.772 nan 8.240 nan 0.000 0.529 82 A N 0.957 123.623 122.820 -0.257 0.000 2.208 82 A HA 0.147 4.469 4.320 0.003 0.000 0.209 82 A C 1.339 178.630 177.584 -0.489 0.000 1.161 82 A CA 0.738 52.553 52.037 -0.370 0.000 0.782 82 A CB -0.122 18.764 19.000 -0.191 0.000 0.816 82 A HN 0.718 nan 8.150 nan 0.000 0.477 83 K N -0.881 119.366 120.400 -0.254 0.000 2.681 83 K HA 0.328 4.650 4.320 0.003 0.000 0.211 83 K C -0.929 175.825 176.600 0.256 0.000 1.075 83 K CA -0.483 55.782 56.287 -0.037 0.000 1.141 83 K CB -0.157 32.296 32.500 -0.077 0.000 0.896 83 K HN 0.389 nan 8.250 nan 0.000 0.470 84 Y N -1.642 118.703 120.300 0.075 0.000 4.604 84 Y HA -0.322 4.230 4.550 0.003 0.000 0.230 84 Y C -0.585 175.355 175.900 0.066 0.000 1.066 84 Y CA 0.042 58.178 58.100 0.060 0.000 1.990 84 Y CB -2.724 35.787 38.460 0.086 0.000 1.619 84 Y HN 0.325 nan 8.280 nan 0.000 0.649 85 N N 1.393 120.181 118.700 0.146 0.000 2.400 85 N HA 0.403 5.145 4.740 0.003 0.000 0.278 85 N C 0.276 175.791 175.510 0.008 0.000 1.247 85 N CA 0.341 53.437 53.050 0.078 0.000 0.970 85 N CB 0.428 38.965 38.487 0.083 0.000 1.312 85 N HN 0.449 nan 8.380 nan 0.000 0.488 86 A N 1.805 124.654 122.820 0.048 0.000 2.286 86 A HA 0.758 5.080 4.320 0.003 0.000 0.286 86 A C 0.232 177.859 177.584 0.072 0.000 1.097 86 A CA -0.557 51.511 52.037 0.052 0.000 0.821 86 A CB 0.437 19.557 19.000 0.200 0.000 1.076 86 A HN 0.866 nan 8.150 nan 0.000 0.490 87 C N -0.199 119.145 119.300 0.072 0.000 3.224 87 C HA 0.621 5.083 4.460 0.003 0.000 0.348 87 C C -1.374 173.713 174.990 0.162 0.000 1.242 87 C CA -0.859 58.236 59.018 0.128 0.000 1.180 87 C CB -0.583 27.194 27.740 0.062 0.000 1.458 87 C HN 0.847 nan 8.230 nan 0.000 0.485 88 I N 2.372 123.068 120.570 0.210 0.000 2.474 88 I HA 0.645 4.817 4.170 0.003 0.000 0.294 88 I C -0.464 175.766 176.117 0.187 0.000 1.005 88 I CA -0.659 60.801 61.300 0.267 0.000 1.113 88 I CB 1.704 39.904 38.000 0.334 0.000 1.289 88 I HN 0.623 nan 8.210 nan 0.000 0.436 89 L N 5.388 126.730 121.223 0.198 0.000 2.341 89 L HA 0.623 4.965 4.340 0.003 0.000 0.267 89 L C -0.458 176.599 176.870 0.312 0.000 1.009 89 L CA -0.695 54.271 54.840 0.209 0.000 0.819 89 L CB 2.163 44.330 42.059 0.179 0.000 1.323 89 L HN 0.549 nan 8.230 nan 0.000 0.425 90 E N 0.644 120.977 120.200 0.222 0.000 2.266 90 E HA 0.268 4.620 4.350 0.003 0.000 0.268 90 E C -1.902 174.658 176.600 -0.066 0.000 0.879 90 E CA -0.740 55.691 56.400 0.052 0.000 0.762 90 E CB 2.467 32.154 29.700 -0.021 0.000 1.199 90 E HN 0.426 nan 8.360 nan 0.000 0.422 91 Y N 3.311 123.202 120.300 -0.680 0.000 2.316 91 Y HA 0.326 4.878 4.550 0.003 0.000 0.331 91 Y C -0.738 174.965 175.900 -0.328 0.000 1.083 91 Y CA -0.258 57.477 58.100 -0.610 0.000 1.206 91 Y CB 0.792 38.630 38.460 -1.037 0.000 1.195 91 Y HN 0.370 nan 8.280 nan 0.000 0.497 92 K N 5.220 125.124 120.400 -0.825 0.000 2.690 92 K HA 0.257 4.579 4.320 0.003 0.000 0.243 92 K C -1.744 174.492 176.600 -0.607 0.000 0.982 92 K CA -0.495 55.468 56.287 -0.539 0.000 0.955 92 K CB 0.875 33.204 32.500 -0.285 0.000 1.185 92 K HN 0.716 nan 8.250 nan 0.000 0.467 93 Q N 2.697 122.174 119.800 -0.538 0.000 2.372 93 Q HA 0.331 4.673 4.340 0.003 0.000 0.259 93 Q C -0.943 174.932 176.000 -0.209 0.000 0.993 93 Q CA -0.443 55.137 55.803 -0.372 0.000 0.854 93 Q CB 1.190 29.740 28.738 -0.313 0.000 1.231 93 Q HN 0.612 nan 8.270 nan 0.000 0.462 94 S N 3.706 119.308 115.700 -0.163 0.000 4.120 94 S HA 0.221 4.693 4.470 0.003 0.000 0.215 94 S C 1.121 175.670 174.600 -0.086 0.000 1.347 94 S CA 0.267 58.401 58.200 -0.110 0.000 0.889 94 S CB -0.084 63.060 63.200 -0.093 0.000 1.585 94 S HN 1.032 nan 8.310 nan 0.000 0.447 95 G N 2.834 111.585 108.800 -0.082 0.000 3.246 95 G HA2 -0.398 3.564 3.960 0.003 0.000 0.227 95 G HA3 -0.398 3.564 3.960 0.003 0.000 0.227 95 G C 0.922 175.791 174.900 -0.051 0.000 1.291 95 G CA 0.942 46.007 45.100 -0.059 0.000 0.900 95 G HN 0.667 nan 8.290 nan 0.000 0.538 96 E N -0.566 119.603 120.200 -0.051 0.000 2.576 96 E HA 0.315 4.668 4.350 0.003 0.000 0.214 96 E C 0.695 177.271 176.600 -0.040 0.000 0.859 96 E CA 0.803 57.180 56.400 -0.038 0.000 1.399 96 E CB -0.284 29.399 29.700 -0.028 0.000 1.374 96 E HN 0.405 nan 8.360 nan 0.000 0.718 97 S N 2.504 118.171 115.700 -0.055 0.000 2.537 97 S HA 0.503 4.975 4.470 0.003 0.000 0.275 97 S C 0.219 174.763 174.600 -0.093 0.000 1.272 97 S CA -0.664 57.500 58.200 -0.061 0.000 1.050 97 S CB 0.476 63.639 63.200 -0.062 0.000 0.961 97 S HN 0.325 nan 8.310 nan 0.000 0.496 98 I N 1.180 121.702 120.570 -0.081 0.000 2.474 98 I HA 0.664 4.836 4.170 0.003 0.000 0.294 98 I C -0.485 175.570 176.117 -0.103 0.000 1.005 98 I CA -1.118 60.111 61.300 -0.120 0.000 1.113 98 I CB 1.321 39.317 38.000 -0.007 0.000 1.289 98 I HN 0.386 nan 8.210 nan 0.000 0.436 99 D N 5.409 125.705 120.400 -0.173 0.000 2.934 99 D HA 0.466 5.108 4.640 0.003 0.000 0.230 99 D C -0.940 175.312 176.300 -0.081 0.000 1.204 99 D CA -0.143 53.794 54.000 -0.105 0.000 0.873 99 D CB 3.254 43.989 40.800 -0.110 0.000 1.645 99 D HN 0.341 nan 8.370 nan 0.000 0.502 100 I N 2.410 122.993 120.570 0.022 0.000 2.307 100 I HA 0.307 4.479 4.170 0.003 0.000 0.289 100 I C 0.206 176.339 176.117 0.026 0.000 1.021 100 I CA -0.322 61.035 61.300 0.096 0.000 1.224 100 I CB 1.195 39.292 38.000 0.163 0.000 1.376 100 I HN 0.245 nan 8.210 nan 0.000 0.470 101 I N 5.327 125.905 120.570 0.014 0.000 2.437 101 I HA 0.325 4.497 4.170 0.003 0.000 0.298 101 I C -0.064 176.066 176.117 0.022 0.000 0.984 101 I CA -0.221 61.074 61.300 -0.008 0.000 1.214 101 I CB 1.202 39.182 38.000 -0.033 0.000 1.365 101 I HN 0.468 nan 8.210 nan 0.000 0.469 102 T N 7.554 122.109 114.554 0.002 0.000 2.776 102 T HA 0.237 4.589 4.350 0.003 0.000 0.292 102 T C 1.284 176.019 174.700 0.060 0.000 0.921 102 T CA -0.452 61.663 62.100 0.024 0.000 1.038 102 T CB 0.216 69.062 68.868 -0.038 0.000 0.910 102 T HN 0.521 nan 8.240 nan 0.000 0.536 103 R N 1.675 122.227 120.500 0.087 0.000 2.148 103 R HA 0.201 4.543 4.340 0.003 0.000 0.227 103 R C 0.838 177.214 176.300 0.126 0.000 1.103 103 R CA 0.336 56.492 56.100 0.094 0.000 0.983 103 R CB -0.118 30.239 30.300 0.096 0.000 0.874 103 R HN 0.685 nan 8.270 nan 0.000 0.451 104 A N 0.447 123.369 122.820 0.169 0.000 2.601 104 A HA 0.574 4.896 4.320 0.003 0.000 0.291 104 A C -1.425 176.323 177.584 0.273 0.000 1.075 104 A CA -0.805 51.346 52.037 0.190 0.000 0.671 104 A CB 1.408 20.491 19.000 0.138 0.000 1.277 104 A HN 0.450 nan 8.150 nan 0.000 0.417 105 H N -0.743 118.355 119.070 0.047 0.000 3.114 105 H HA 0.651 5.209 4.556 0.003 0.000 0.325 105 H C -0.768 174.571 175.328 0.018 0.000 1.206 105 H CA -0.259 55.810 56.048 0.034 0.000 1.316 105 H CB 0.859 30.628 29.762 0.011 0.000 1.981 105 H HN 1.959 nan 8.280 nan 0.000 0.527 106 G N 1.415 110.194 108.800 -0.035 0.000 2.673 106 G HA2 0.160 4.122 3.960 0.003 0.000 0.292 106 G HA3 0.160 4.122 3.960 0.003 0.000 0.292 106 G C -1.576 173.318 174.900 -0.010 0.000 1.450 106 G CA -1.011 44.029 45.100 -0.099 0.000 0.837 106 G HN 0.657 nan 8.290 nan 0.000 0.505 107 N N 0.741 119.418 118.700 -0.039 0.000 2.411 107 N HA 0.138 4.880 4.740 0.003 0.000 0.259 107 N C 1.357 176.887 175.510 0.034 0.000 1.103 107 N CA -0.080 52.966 53.050 -0.007 0.000 0.954 107 N CB 1.737 40.165 38.487 -0.098 0.000 1.085 107 N HN 0.578 nan 8.380 nan 0.000 0.485 108 V N 1.375 121.345 119.914 0.093 0.000 3.633 108 V HA 0.058 4.180 4.120 0.003 0.000 0.283 108 V C 0.887 177.023 176.094 0.069 0.000 1.305 108 V CA -0.083 62.264 62.300 0.078 0.000 1.153 108 V CB -1.001 30.871 31.823 0.081 0.000 0.950 108 V HN 0.644 nan 8.190 nan 0.000 0.432 109 Q N 0.793 120.636 119.800 0.071 0.000 2.471 109 Q HA 0.466 4.808 4.340 0.003 0.000 0.223 109 Q C -1.066 174.915 176.000 -0.032 0.000 1.045 109 Q CA -0.138 55.598 55.803 -0.111 0.000 0.956 109 Q CB 0.397 29.043 28.738 -0.154 0.000 1.249 109 Q HN 0.430 nan 8.270 nan 0.000 0.549 110 D N -0.447 119.920 120.400 -0.055 0.000 2.738 110 D HA 0.210 4.852 4.640 0.003 0.000 0.237 110 D C -0.056 176.101 176.300 -0.239 0.000 1.123 110 D CA -0.762 53.154 54.000 -0.140 0.000 0.856 110 D CB 1.776 42.461 40.800 -0.191 0.000 1.552 110 D HN 0.545 nan 8.370 nan 0.000 0.480 111 R N 0.677 121.079 120.500 -0.164 0.000 2.115 111 R HA 0.091 4.433 4.340 0.003 0.000 0.230 111 R C 0.440 176.615 176.300 -0.208 0.000 1.111 111 R CA 0.786 56.803 56.100 -0.138 0.000 0.976 111 R CB -0.187 30.066 30.300 -0.079 0.000 0.870 111 R HN 0.397 nan 8.270 nan 0.000 0.445 112 I N 0.053 120.469 120.570 -0.256 0.000 2.638 112 I HA 0.349 4.521 4.170 0.003 0.000 0.286 112 I C 0.312 176.079 176.117 -0.582 0.000 1.088 112 I CA 0.892 62.016 61.300 -0.292 0.000 1.397 112 I CB 1.353 39.226 38.000 -0.211 0.000 1.414 112 I HN 0.395 nan 8.210 nan 0.000 0.566 113 G N 4.806 113.310 108.800 -0.493 0.000 3.239 113 G HA2 -0.027 3.936 3.960 0.003 0.000 0.666 113 G HA3 -0.027 3.936 3.960 0.003 0.000 0.666 113 G C -0.870 173.874 174.900 -0.259 0.000 1.313 113 G CA -1.035 43.656 45.100 -0.682 0.000 1.001 113 G HN 0.694 nan 8.290 nan 0.000 0.573 114 R N 3.643 124.161 120.500 0.030 0.000 2.255 114 R HA 0.615 4.957 4.340 0.003 0.000 0.326 114 R C -2.329 174.136 176.300 0.275 0.000 0.986 114 R CA -1.805 54.375 56.100 0.134 0.000 0.847 114 R CB 1.326 31.671 30.300 0.075 0.000 1.111 114 R HN 0.321 nan 8.270 nan 0.000 0.452 115 P HA 0.058 nan 4.420 nan 0.000 0.274 115 P C -0.536 176.836 177.300 0.121 0.000 1.231 115 P CA -0.292 62.948 63.100 0.233 0.000 0.790 115 P CB 1.276 33.104 31.700 0.213 0.000 0.951 116 S N 0.164 115.900 115.700 0.060 0.000 2.623 116 S HA 0.473 4.945 4.470 0.003 0.000 0.287 116 S C -0.154 174.446 174.600 -0.001 0.000 1.123 116 S CA -0.355 57.867 58.200 0.036 0.000 1.016 116 S CB 0.203 63.415 63.200 0.020 0.000 1.233 116 S HN 0.316 nan 8.310 nan 0.000 0.512 117 E N 0.167 120.331 120.200 -0.059 0.000 2.081 117 E HA 0.485 4.838 4.350 0.003 0.000 0.276 117 E C -0.617 175.922 176.600 -0.101 0.000 0.950 117 E CA -0.013 56.325 56.400 -0.104 0.000 0.776 117 E CB -0.219 29.311 29.700 -0.283 0.000 1.094 117 E HN 0.781 nan 8.360 nan 0.000 0.402 118 T N 2.021 116.549 114.554 -0.044 0.000 5.334 118 T HA -0.055 4.297 4.350 0.003 0.000 0.267 118 T C 0.699 175.388 174.700 -0.019 0.000 2.218 118 T CA 0.437 62.522 62.100 -0.025 0.000 3.802 118 T CB -1.887 66.966 68.868 -0.024 0.000 0.286 118 T HN 1.183 nan 8.240 nan 0.000 0.975 119 G N 1.135 109.924 108.800 -0.019 0.000 2.598 119 G HA2 -0.208 3.754 3.960 0.003 0.000 0.269 119 G HA3 -0.208 3.754 3.960 0.003 0.000 0.269 119 G C -0.052 174.827 174.900 -0.035 0.000 1.289 119 G CA -0.171 44.916 45.100 -0.021 0.000 0.926 119 G HN 0.907 nan 8.290 nan 0.000 0.567 120 I N 0.621 121.159 120.570 -0.053 0.000 2.754 120 I HA 0.384 4.556 4.170 0.003 0.000 0.285 120 I C 0.662 176.755 176.117 -0.040 0.000 1.166 120 I CA 0.631 61.892 61.300 -0.065 0.000 1.417 120 I CB 0.382 38.317 38.000 -0.108 0.000 1.382 120 I HN 0.414 nan 8.210 nan 0.000 0.588 121 I N 4.777 125.331 120.570 -0.027 0.000 2.586 121 I HA 0.433 4.605 4.170 0.003 0.000 0.288 121 I C -0.152 175.971 176.117 0.010 0.000 1.147 121 I CA -0.409 60.891 61.300 -0.000 0.000 1.047 121 I CB 1.921 39.928 38.000 0.011 0.000 1.244 121 I HN 0.603 nan 8.210 nan 0.000 0.429 122 G N 7.518 116.348 108.800 0.049 0.000 2.609 122 G HA2 0.806 4.768 3.960 0.003 0.000 0.308 122 G HA3 0.806 4.768 3.960 0.003 0.000 0.308 122 G C -0.838 174.119 174.900 0.096 0.000 1.369 122 G CA -0.494 44.658 45.100 0.086 0.000 0.958 122 G HN 0.646 nan 8.290 nan 0.000 0.499 123 I N -0.674 119.930 120.570 0.058 0.000 3.042 123 I HA 0.751 4.923 4.170 0.003 0.000 0.310 123 I C -1.295 174.938 176.117 0.193 0.000 1.117 123 I CA -1.643 59.726 61.300 0.115 0.000 1.003 123 I CB 2.714 40.745 38.000 0.051 0.000 1.228 123 I HN 0.256 nan 8.210 nan 0.000 0.443 124 I N 2.999 123.713 120.570 0.240 0.000 2.534 124 I HA 0.207 4.379 4.170 0.003 0.000 0.288 124 I C -0.648 175.440 176.117 -0.047 0.000 1.077 124 I CA -0.542 60.781 61.300 0.039 0.000 1.051 124 I CB 2.012 39.914 38.000 -0.164 0.000 1.234 124 I HN 0.725 nan 8.210 nan 0.000 0.425 125 D N 8.035 128.071 120.400 -0.607 0.000 2.423 125 D HA 0.062 4.704 4.640 0.003 0.000 0.238 125 D C -1.907 174.164 176.300 -0.381 0.000 1.142 125 D CA -0.959 52.493 54.000 -0.913 0.000 0.884 125 D CB 1.934 41.981 40.800 -1.254 0.000 1.199 125 D HN 0.181 nan 8.370 nan 0.000 0.438 126 P HA -0.173 nan 4.420 nan 0.000 0.215 126 P C 0.808 178.058 177.300 -0.083 0.000 1.163 126 P CA 1.547 64.517 63.100 -0.218 0.000 0.894 126 P CB 0.120 31.637 31.700 -0.305 0.000 0.791 127 E N -2.580 117.553 120.200 -0.111 0.000 2.418 127 E HA -0.042 4.310 4.350 0.003 0.000 0.197 127 E C 0.309 176.885 176.600 -0.041 0.000 1.026 127 E CA 0.219 56.590 56.400 -0.048 0.000 0.862 127 E CB -0.417 29.251 29.700 -0.054 0.000 0.799 127 E HN 0.102 nan 8.360 nan 0.000 0.518 128 C N 0.585 119.830 119.300 -0.091 0.000 4.507 128 C HA -0.159 4.303 4.460 0.003 0.000 0.285 128 C C 1.595 176.530 174.990 -0.092 0.000 1.335 128 C CA 0.009 58.987 59.018 -0.066 0.000 1.953 128 C CB -1.605 26.192 27.740 0.096 0.000 1.262 128 C HN 0.467 nan 8.230 nan 0.000 0.776 129 R N -0.331 120.085 120.500 -0.140 0.000 2.235 129 R HA 0.062 4.404 4.340 0.003 0.000 0.213 129 R C 0.682 176.895 176.300 -0.146 0.000 1.059 129 R CA 1.733 57.764 56.100 -0.116 0.000 0.997 129 R CB -0.144 30.092 30.300 -0.107 0.000 0.884 129 R HN 0.872 nan 8.270 nan 0.000 0.462 130 M N -2.586 116.872 119.600 -0.237 0.000 3.231 130 M HA 0.421 4.903 4.480 0.003 0.000 0.282 130 M C -1.586 174.526 176.300 -0.312 0.000 1.126 130 M CA -0.726 54.430 55.300 -0.240 0.000 0.820 130 M CB 1.603 34.117 32.600 -0.142 0.000 1.624 130 M HN -0.267 nan 8.290 nan 0.000 0.535 131 I N 0.546 120.941 120.570 -0.293 0.000 2.498 131 I HA 0.793 4.965 4.170 0.003 0.000 0.290 131 I C -0.284 175.714 176.117 -0.198 0.000 1.032 131 I CA -0.869 60.227 61.300 -0.339 0.000 1.073 131 I CB 2.257 39.832 38.000 -0.709 0.000 1.251 131 I HN 0.900 nan 8.210 nan 0.000 0.426 132 G N 5.985 114.753 108.800 -0.053 0.000 2.452 132 G HA2 0.752 4.714 3.960 0.003 0.000 0.324 132 G HA3 0.752 4.714 3.960 0.003 0.000 0.324 132 G C -1.468 173.191 174.900 -0.402 0.000 1.214 132 G CA -0.318 44.629 45.100 -0.254 0.000 0.947 132 G HN 0.239 nan 8.290 nan 0.000 0.478 133 L N 1.188 121.947 121.223 -0.773 0.000 2.401 133 L HA 0.641 4.983 4.340 0.003 0.000 0.266 133 L C -0.173 176.452 176.870 -0.410 0.000 0.991 133 L CA -1.027 53.562 54.840 -0.417 0.000 0.818 133 L CB 2.301 44.188 42.059 -0.286 0.000 1.321 133 L HN 0.440 nan 8.230 nan 0.000 0.413 134 R N 3.361 123.771 120.500 -0.150 0.000 2.443 134 R HA 0.368 4.710 4.340 0.003 0.000 0.287 134 R C -0.394 175.839 176.300 -0.112 0.000 1.425 134 R CA -0.305 55.759 56.100 -0.061 0.000 1.300 134 R CB 0.605 30.927 30.300 0.038 0.000 1.129 134 R HN 0.544 nan 8.270 nan 0.000 0.577 135 L N 2.377 123.471 121.223 -0.215 0.000 2.316 135 L HA 0.239 4.581 4.340 0.003 0.000 0.207 135 L C 0.118 176.631 176.870 -0.595 0.000 1.070 135 L CA 0.925 55.508 54.840 -0.429 0.000 0.820 135 L CB -0.548 41.128 42.059 -0.638 0.000 0.992 135 L HN 0.340 nan 8.230 nan 0.000 0.466 136 Y N -0.684 119.627 120.300 0.018 0.000 2.499 136 Y HA 0.354 4.906 4.550 0.003 0.000 0.347 136 Y C 0.244 176.154 175.900 0.017 0.000 0.987 136 Y CA -1.628 56.479 58.100 0.012 0.000 1.044 136 Y CB 0.916 39.363 38.460 -0.021 0.000 1.245 136 Y HN -0.091 nan 8.280 nan 0.000 0.461 137 D N 0.999 121.507 120.400 0.179 0.000 2.506 137 D HA 0.189 4.831 4.640 0.003 0.000 0.234 137 D C 1.169 177.536 176.300 0.112 0.000 1.143 137 D CA 2.282 56.352 54.000 0.117 0.000 0.871 137 D CB 0.997 41.863 40.800 0.109 0.000 1.190 137 D HN 0.921 nan 8.370 nan 0.000 0.459 138 G N 1.417 110.268 108.800 0.085 0.000 2.417 138 G HA2 -0.288 3.674 3.960 0.003 0.000 0.233 138 G HA3 -0.288 3.674 3.960 0.003 0.000 0.233 138 G C 0.353 175.303 174.900 0.083 0.000 1.103 138 G CA 0.273 45.415 45.100 0.070 0.000 0.647 138 G HN 0.465 nan 8.290 nan 0.000 0.512 139 L N -0.525 120.764 121.223 0.110 0.000 2.332 139 L HA 0.839 5.181 4.340 0.003 0.000 0.269 139 L C -0.419 176.555 176.870 0.173 0.000 1.016 139 L CA -1.198 53.711 54.840 0.116 0.000 0.809 139 L CB 1.719 43.837 42.059 0.098 0.000 1.280 139 L HN 0.178 nan 8.230 nan 0.000 0.447 140 F N 1.934 121.860 119.950 -0.040 0.000 2.716 140 F HA 0.413 4.942 4.527 0.003 0.000 0.354 140 F C -0.183 175.526 175.800 -0.152 0.000 1.168 140 F CA -0.965 56.994 58.000 -0.069 0.000 1.045 140 F CB 0.941 39.941 39.000 0.000 0.000 1.311 140 F HN 0.227 nan 8.300 nan 0.000 0.477 141 K N 3.657 123.694 120.400 -0.605 0.000 2.355 141 K HA 0.623 4.946 4.320 0.003 0.000 0.270 141 K C -1.548 174.527 176.600 -0.875 0.000 1.003 141 K CA -0.038 55.892 56.287 -0.595 0.000 0.957 141 K CB 0.996 33.272 32.500 -0.374 0.000 0.939 141 K HN 0.439 nan 8.250 nan 0.000 0.482 142 V N 5.972 125.396 119.914 -0.818 0.000 2.524 142 V HA 0.352 4.474 4.120 0.003 0.000 0.297 142 V C -0.670 175.098 176.094 -0.543 0.000 1.035 142 V CA -0.682 61.194 62.300 -0.707 0.000 0.867 142 V CB 1.501 32.846 31.823 -0.797 0.000 1.004 142 V HN 0.662 nan 8.190 nan 0.000 0.426 143 I N 7.363 127.729 120.570 -0.340 0.000 2.306 143 I HA 0.344 4.516 4.170 0.003 0.000 0.288 143 I C -2.380 173.638 176.117 -0.165 0.000 1.036 143 I CA -1.854 59.316 61.300 -0.217 0.000 1.221 143 I CB 1.797 39.672 38.000 -0.209 0.000 1.385 143 I HN 0.396 nan 8.210 nan 0.000 0.472 144 P HA 0.191 nan 4.420 nan 0.000 0.276 144 P C -0.724 176.547 177.300 -0.049 0.000 1.235 144 P CA -0.213 62.873 63.100 -0.023 0.000 0.772 144 P CB 0.577 32.318 31.700 0.067 0.000 0.871 145 L N 4.100 125.280 121.223 -0.071 0.000 2.326 145 L HA 0.411 4.753 4.340 0.003 0.000 0.278 145 L C 0.739 177.606 176.870 -0.005 0.000 1.092 145 L CA 0.590 55.403 54.840 -0.046 0.000 0.810 145 L CB 0.470 42.489 42.059 -0.068 0.000 1.153 145 L HN 0.335 nan 8.230 nan 0.000 0.439 146 D N 0.413 120.822 120.400 0.015 0.000 2.759 146 D HA 0.236 4.878 4.640 0.003 0.000 0.321 146 D C 0.419 176.738 176.300 0.032 0.000 1.267 146 D CA -0.693 53.319 54.000 0.020 0.000 0.933 146 D CB 1.490 42.298 40.800 0.013 0.000 1.431 146 D HN 0.177 nan 8.370 nan 0.000 0.504 147 R N 0.431 120.947 120.500 0.026 0.000 2.092 147 R HA -0.052 4.290 4.340 0.003 0.000 0.231 147 R C 0.272 176.589 176.300 0.028 0.000 1.119 147 R CA 1.725 57.842 56.100 0.028 0.000 0.970 147 R CB -0.321 29.991 30.300 0.019 0.000 0.864 147 R HN 0.535 nan 8.270 nan 0.000 0.440 148 D N -1.094 119.319 120.400 0.021 0.000 2.789 148 D HA 0.010 4.652 4.640 0.003 0.000 0.258 148 D C 0.519 176.830 176.300 0.018 0.000 1.215 148 D CA -0.562 53.448 54.000 0.017 0.000 1.113 148 D CB -0.551 40.254 40.800 0.009 0.000 0.953 148 D HN -0.142 nan 8.370 nan 0.000 0.252 149 N N -0.236 118.468 118.700 0.008 0.000 2.654 149 N HA -0.238 4.504 4.740 0.003 0.000 0.248 149 N C 0.219 175.728 175.510 -0.002 0.000 1.116 149 N CA 0.336 53.386 53.050 0.001 0.000 0.730 149 N CB -0.465 38.023 38.487 0.003 0.000 1.040 149 N HN 0.315 nan 8.380 nan 0.000 0.548 150 K N -0.046 120.355 120.400 0.001 0.000 2.442 150 K HA -0.136 4.186 4.320 0.003 0.000 0.199 150 K C 0.417 176.982 176.600 -0.057 0.000 1.044 150 K CA 1.207 57.498 56.287 0.007 0.000 0.941 150 K CB -0.001 32.510 32.500 0.019 0.000 0.759 150 K HN 0.555 nan 8.250 nan 0.000 0.472 151 E N 0.645 120.791 120.200 -0.090 0.000 2.585 151 E HA 0.120 4.472 4.350 0.003 0.000 0.206 151 E C -0.615 175.923 176.600 -0.103 0.000 1.007 151 E CA -0.232 56.067 56.400 -0.169 0.000 1.028 151 E CB 0.027 29.634 29.700 -0.154 0.000 1.087 151 E HN 0.098 nan 8.360 nan 0.000 0.455 152 L N 1.976 123.169 121.223 -0.051 0.000 3.995 152 L HA -0.278 4.064 4.340 0.003 0.000 0.513 152 L C -0.105 176.746 176.870 -0.032 0.000 1.147 152 L CA 0.812 55.637 54.840 -0.026 0.000 0.703 152 L CB -1.211 40.854 42.059 0.010 0.000 1.306 152 L HN 0.148 nan 8.230 nan 0.000 0.779 153 K N 1.464 121.850 120.400 -0.024 0.000 2.185 153 K HA 0.810 5.132 4.320 0.003 0.000 0.271 153 K C 0.331 176.933 176.600 0.003 0.000 1.013 153 K CA 0.243 56.525 56.287 -0.008 0.000 0.943 153 K CB 1.830 34.332 32.500 0.003 0.000 0.998 153 K HN 0.396 nan 8.250 nan 0.000 0.468 154 A N 2.434 125.259 122.820 0.008 0.000 2.574 154 A HA 0.658 4.980 4.320 0.003 0.000 0.297 154 A C -1.027 176.579 177.584 0.037 0.000 1.062 154 A CA -0.977 51.036 52.037 -0.041 0.000 0.686 154 A CB 0.745 19.651 19.000 -0.157 0.000 1.285 154 A HN 0.611 nan 8.150 nan 0.000 0.403 155 F N 0.771 120.676 119.950 -0.075 0.000 2.457 155 F HA 0.702 5.231 4.527 0.003 0.000 0.330 155 F C 0.211 175.958 175.800 -0.088 0.000 1.069 155 F CA -1.169 56.786 58.000 -0.075 0.000 1.009 155 F CB 0.973 39.927 39.000 -0.076 0.000 1.276 155 F HN 0.465 nan 8.300 nan 0.000 0.492 156 N N 0.605 119.322 118.700 0.028 0.000 2.476 156 N HA 0.564 5.306 4.740 0.003 0.000 0.276 156 N C -1.159 174.395 175.510 0.074 0.000 1.204 156 N CA -0.454 52.562 53.050 -0.057 0.000 0.974 156 N CB 2.072 40.548 38.487 -0.018 0.000 1.204 156 N HN 0.509 nan 8.380 nan 0.000 0.543 157 I N 0.979 121.541 120.570 -0.012 0.000 2.533 157 I HA 0.257 4.430 4.170 0.003 0.000 0.290 157 I C 0.420 176.504 176.117 -0.055 0.000 1.056 157 I CA -0.693 60.553 61.300 -0.089 0.000 1.057 157 I CB 2.476 40.243 38.000 -0.387 0.000 1.240 157 I HN 0.233 nan 8.210 nan 0.000 0.423 158 R N 4.964 125.436 120.500 -0.047 0.000 2.590 158 R HA 0.360 4.702 4.340 0.003 0.000 0.274 158 R C -1.128 175.210 176.300 0.063 0.000 1.061 158 R CA -0.094 56.010 56.100 0.007 0.000 1.081 158 R CB 0.725 31.023 30.300 -0.002 0.000 0.984 158 R HN 0.515 nan 8.270 nan 0.000 0.448 159 L N 4.183 125.455 121.223 0.083 0.000 2.342 159 L HA 0.176 4.518 4.340 0.003 0.000 0.276 159 L C 1.124 178.017 176.870 0.037 0.000 0.997 159 L CA -0.449 54.444 54.840 0.090 0.000 0.838 159 L CB 1.535 43.633 42.059 0.066 0.000 1.224 159 L HN 0.689 nan 8.230 nan 0.000 0.416 160 E N 2.004 122.222 120.200 0.031 0.000 2.130 160 E HA -0.185 4.167 4.350 0.003 0.000 0.196 160 E C -0.111 176.491 176.600 0.004 0.000 0.998 160 E CA 1.290 57.704 56.400 0.022 0.000 0.806 160 E CB 0.095 29.817 29.700 0.036 0.000 0.738 160 E HN 0.590 nan 8.360 nan 0.000 0.459 161 E N 0.702 120.881 120.200 -0.034 0.000 2.105 161 E HA 0.106 4.458 4.350 0.003 0.000 0.285 161 E C 0.591 177.218 176.600 0.046 0.000 1.055 161 E CA -0.035 56.332 56.400 -0.054 0.000 0.843 161 E CB 0.765 30.300 29.700 -0.275 0.000 1.067 161 E HN -0.005 nan 8.360 nan 0.000 0.398 162 L N 2.799 124.089 121.223 0.111 0.000 2.627 162 L HA 0.015 4.357 4.340 0.003 0.000 0.233 162 L C 0.309 177.314 176.870 0.225 0.000 1.144 162 L CA 0.839 55.763 54.840 0.139 0.000 0.892 162 L CB -0.027 42.108 42.059 0.127 0.000 1.039 162 L HN 0.683 nan 8.230 nan 0.000 0.442 163 H N -0.458 118.695 119.070 0.139 0.000 3.080 163 H HA 0.148 4.706 4.556 0.003 0.000 0.211 163 H C -0.946 174.522 175.328 0.232 0.000 1.359 163 H CA -0.188 55.960 56.048 0.167 0.000 1.322 163 H CB 0.407 30.268 29.762 0.164 0.000 2.164 163 H HN -0.225 nan 8.280 nan 0.000 0.526 164 V N 3.634 123.627 119.914 0.132 0.000 2.585 164 V HA -0.052 4.070 4.120 0.003 0.000 0.296 164 V C 1.646 177.767 176.094 0.044 0.000 1.035 164 V CA 0.173 62.582 62.300 0.183 0.000 1.084 164 V CB 0.809 32.674 31.823 0.071 0.000 0.953 164 V HN 0.510 nan 8.190 nan 0.000 0.483 165 I N 2.003 122.651 120.570 0.130 0.000 2.429 165 I HA 0.208 4.381 4.170 0.003 0.000 0.247 165 I C 0.668 176.823 176.117 0.063 0.000 1.099 165 I CA 1.154 62.491 61.300 0.062 0.000 1.422 165 I CB -0.329 37.724 38.000 0.088 0.000 1.112 165 I HN 0.756 nan 8.210 nan 0.000 0.430 166 D N -0.712 119.751 120.400 0.104 0.000 2.663 166 D HA 0.486 5.128 4.640 0.003 0.000 0.233 166 D C -1.310 175.055 176.300 0.109 0.000 1.240 166 D CA -0.155 53.895 54.000 0.083 0.000 0.774 166 D CB 2.256 43.099 40.800 0.072 0.000 1.443 166 D HN -0.200 nan 8.370 nan 0.000 0.441 167 V N 1.791 121.743 119.914 0.064 0.000 3.007 167 V HA 0.769 4.891 4.120 0.003 0.000 0.311 167 V C -0.364 175.719 176.094 -0.018 0.000 1.120 167 V CA -0.865 61.449 62.300 0.024 0.000 0.980 167 V CB 2.236 34.028 31.823 -0.051 0.000 1.033 167 V HN 0.566 nan 8.190 nan 0.000 0.429 168 K N 1.085 121.441 120.400 -0.074 0.000 2.548 168 K HA 0.584 4.906 4.320 0.003 0.000 0.282 168 K C -1.561 174.913 176.600 -0.211 0.000 1.006 168 K CA -0.658 55.571 56.287 -0.096 0.000 0.892 168 K CB 2.315 34.844 32.500 0.049 0.000 1.499 168 K HN 0.430 nan 8.250 nan 0.000 0.433 169 F N 0.998 120.948 119.950 -0.000 0.000 2.380 169 F HA 0.352 4.881 4.527 0.003 0.000 0.325 169 F C 0.726 176.492 175.800 -0.057 0.000 1.136 169 F CA -0.760 57.212 58.000 -0.047 0.000 1.171 169 F CB 0.577 39.526 39.000 -0.085 0.000 1.230 169 F HN 0.064 nan 8.300 nan 0.000 0.554 170 L N 1.823 123.145 121.223 0.166 0.000 2.343 170 L HA 0.374 4.716 4.340 0.003 0.000 0.275 170 L C -0.781 176.160 176.870 0.117 0.000 1.056 170 L CA -0.913 54.020 54.840 0.155 0.000 0.804 170 L CB 0.664 42.803 42.059 0.133 0.000 1.203 170 L HN 0.459 nan 8.230 nan 0.000 0.440 171 Y N 0.263 120.670 120.300 0.178 0.000 2.300 171 Y HA 0.410 4.962 4.550 0.003 0.000 0.328 171 Y C 1.168 177.163 175.900 0.159 0.000 1.270 171 Y CA 0.461 58.656 58.100 0.158 0.000 1.352 171 Y CB 1.216 39.775 38.460 0.165 0.000 1.286 171 Y HN 0.748 nan 8.280 nan 0.000 0.536 172 G N 0.807 109.792 108.800 0.308 0.000 2.385 172 G HA2 -0.212 3.750 3.960 0.003 0.000 0.294 172 G HA3 -0.212 3.750 3.960 0.003 0.000 0.294 172 G C -1.000 174.005 174.900 0.174 0.000 1.070 172 G CA -0.304 44.931 45.100 0.225 0.000 1.172 172 G HN 0.708 nan 8.290 nan 0.000 0.516 173 C N 1.358 120.733 119.300 0.125 0.000 2.505 173 C HA 0.436 4.898 4.460 0.003 0.000 0.342 173 C C 1.399 176.426 174.990 0.063 0.000 1.121 173 C CA -0.904 58.171 59.018 0.095 0.000 1.306 173 C CB 1.668 29.456 27.740 0.079 0.000 1.897 173 C HN 0.687 nan 8.230 nan 0.000 0.446 174 Q N 1.837 121.675 119.800 0.064 0.000 2.014 174 Q HA -0.101 4.241 4.340 0.003 0.000 0.207 174 Q C 1.123 177.145 176.000 0.037 0.000 0.993 174 Q CA 1.657 57.489 55.803 0.050 0.000 0.850 174 Q CB -0.473 28.296 28.738 0.051 0.000 0.916 174 Q HN 0.896 nan 8.270 nan 0.000 0.417 175 A N 1.704 124.548 122.820 0.040 0.000 2.304 175 A HA 0.468 4.790 4.320 0.003 0.000 0.301 175 A C -2.253 175.353 177.584 0.037 0.000 1.132 175 A CA -1.625 50.436 52.037 0.040 0.000 0.819 175 A CB 0.032 19.064 19.000 0.054 0.000 1.094 175 A HN -0.016 nan 8.150 nan 0.000 0.492 176 P HA 0.029 nan 4.420 nan 0.000 0.261 176 P C -0.489 176.906 177.300 0.158 0.000 1.158 176 P CA 1.097 64.219 63.100 0.036 0.000 0.758 176 P CB 0.198 31.914 31.700 0.027 0.000 0.763 177 T N 3.567 118.269 114.554 0.246 0.000 3.071 177 T HA 0.574 4.927 4.350 0.003 0.000 0.311 177 T C 0.156 174.932 174.700 0.127 0.000 1.042 177 T CA -0.586 61.596 62.100 0.136 0.000 1.028 177 T CB 0.531 69.387 68.868 -0.021 0.000 1.068 177 T HN 0.279 nan 8.240 nan 0.000 0.451 178 I N -0.637 119.904 120.570 -0.048 0.000 2.676 178 I HA 0.918 5.090 4.170 0.003 0.000 0.309 178 I C -0.247 175.765 176.117 -0.175 0.000 0.990 178 I CA -0.845 60.319 61.300 -0.226 0.000 1.168 178 I CB 1.553 39.283 38.000 -0.451 0.000 1.343 178 I HN 0.747 nan 8.210 nan 0.000 0.482 179 C N 6.135 125.369 119.300 -0.110 0.000 2.551 179 C HA 0.834 5.296 4.460 0.003 0.000 0.332 179 C C -1.083 173.941 174.990 0.057 0.000 1.139 179 C CA -0.661 58.306 59.018 -0.086 0.000 1.328 179 C CB 0.536 28.216 27.740 -0.099 0.000 1.903 179 C HN 0.840 nan 8.230 nan 0.000 0.459 180 F N 4.573 124.422 119.950 -0.168 0.000 2.630 180 F HA 0.679 5.208 4.527 0.003 0.000 0.325 180 F C -0.955 174.857 175.800 0.021 0.000 1.184 180 F CA -0.998 56.954 58.000 -0.079 0.000 1.011 180 F CB 0.242 39.184 39.000 -0.098 0.000 1.268 180 F HN 0.368 nan 8.300 nan 0.000 0.480 181 V N 4.200 124.129 119.914 0.024 0.000 2.811 181 V HA 0.345 4.467 4.120 0.003 0.000 0.302 181 V C -0.441 175.777 176.094 0.206 0.000 1.063 181 V CA -0.047 62.234 62.300 -0.033 0.000 1.088 181 V CB 0.457 32.259 31.823 -0.035 0.000 0.982 181 V HN 0.910 nan 8.190 nan 0.000 0.485 182 Y N 0.734 121.083 120.300 0.082 0.000 2.624 182 Y HA 0.646 5.198 4.550 0.003 0.000 0.334 182 Y C -0.842 175.193 175.900 0.225 0.000 1.155 182 Y CA -1.244 56.991 58.100 0.224 0.000 1.046 182 Y CB 1.675 40.346 38.460 0.351 0.000 1.316 182 Y HN 0.547 nan 8.280 nan 0.000 0.457 183 Q N 2.698 122.744 119.800 0.409 0.000 2.333 183 Q HA 0.475 4.817 4.340 0.003 0.000 0.268 183 Q C -1.812 174.314 176.000 0.210 0.000 1.007 183 Q CA -0.590 55.333 55.803 0.199 0.000 0.810 183 Q CB 1.669 30.482 28.738 0.125 0.000 1.264 183 Q HN 0.928 nan 8.270 nan 0.000 0.452 184 D N 2.926 123.441 120.400 0.190 0.000 2.687 184 D HA 0.502 5.144 4.640 0.003 0.000 0.264 184 D C -1.933 174.417 176.300 0.085 0.000 1.091 184 D CA -1.400 52.689 54.000 0.148 0.000 1.123 184 D CB 0.654 41.585 40.800 0.219 0.000 1.407 184 D HN 0.224 nan 8.370 nan 0.000 0.591 185 P HA -0.275 nan 4.420 nan 0.000 0.218 185 P C 1.041 178.362 177.300 0.036 0.000 1.165 185 P CA 1.632 64.754 63.100 0.037 0.000 0.922 185 P CB -0.020 31.694 31.700 0.023 0.000 0.794 186 Q N -0.866 118.982 119.800 0.080 0.000 2.541 186 Q HA 0.261 4.603 4.340 0.003 0.000 0.215 186 Q C 0.912 176.896 176.000 -0.027 0.000 0.977 186 Q CA 0.691 56.526 55.803 0.053 0.000 0.934 186 Q CB -0.335 28.497 28.738 0.157 0.000 0.988 186 Q HN 0.442 nan 8.270 nan 0.000 0.521 187 G N -0.586 108.169 108.800 -0.074 0.000 2.316 187 G HA2 -0.097 3.865 3.960 0.003 0.000 0.349 187 G HA3 -0.097 3.865 3.960 0.003 0.000 0.349 187 G C -1.350 173.323 174.900 -0.377 0.000 1.274 187 G CA -1.146 43.826 45.100 -0.212 0.000 1.018 187 G HN 0.119 nan 8.290 nan 0.000 0.486 188 R N -0.516 119.701 120.500 -0.473 0.000 2.607 188 R HA 0.774 5.116 4.340 0.003 0.000 0.261 188 R C -0.551 175.191 176.300 -0.929 0.000 1.051 188 R CA -0.592 55.185 56.100 -0.538 0.000 1.110 188 R CB 1.098 31.233 30.300 -0.276 0.000 1.158 188 R HN 0.730 nan 8.270 nan 0.000 0.543 189 H N -1.460 117.251 119.070 -0.599 0.000 3.037 189 H HA 0.338 4.896 4.556 0.003 0.000 0.355 189 H C -1.645 173.327 175.328 -0.593 0.000 1.263 189 H CA -0.786 54.911 56.048 -0.585 0.000 1.129 189 H CB 1.900 31.258 29.762 -0.673 0.000 1.861 189 H HN 0.219 nan 8.280 nan 0.000 0.546 190 V N 1.982 121.726 119.914 -0.283 0.000 2.357 190 V HA 0.507 4.629 4.120 0.003 0.000 0.284 190 V C -0.626 175.257 176.094 -0.351 0.000 1.018 190 V CA -0.238 61.858 62.300 -0.339 0.000 0.841 190 V CB 0.868 32.461 31.823 -0.385 0.000 0.991 190 V HN 0.723 nan 8.190 nan 0.000 0.437 191 K N 3.681 123.685 120.400 -0.659 0.000 2.313 191 K HA 0.897 5.220 4.320 0.003 0.000 0.235 191 K C -0.609 175.482 176.600 -0.849 0.000 1.035 191 K CA -0.410 55.416 56.287 -0.768 0.000 0.868 191 K CB 2.291 34.237 32.500 -0.924 0.000 1.232 191 K HN 0.818 nan 8.250 nan 0.000 0.459 192 T N -1.441 112.646 114.554 -0.779 0.000 2.900 192 T HA 0.568 4.920 4.350 0.003 0.000 0.303 192 T C -1.330 172.891 174.700 -0.799 0.000 1.142 192 T CA -0.837 60.849 62.100 -0.688 0.000 1.007 192 T CB 0.725 69.149 68.868 -0.740 0.000 1.156 192 T HN 0.457 nan 8.240 nan 0.000 0.490 193 Y N -0.796 119.331 120.300 -0.287 0.000 2.571 193 Y HA 0.527 5.079 4.550 0.003 0.000 0.341 193 Y C 0.341 176.149 175.900 -0.153 0.000 1.076 193 Y CA -1.357 56.573 58.100 -0.282 0.000 1.029 193 Y CB 1.881 39.974 38.460 -0.611 0.000 1.308 193 Y HN 0.681 nan 8.280 nan 0.000 0.461 194 E N 0.478 120.758 120.200 0.133 0.000 2.376 194 E HA 0.508 4.860 4.350 0.003 0.000 0.254 194 E C -1.296 175.458 176.600 0.256 0.000 1.213 194 E CA -0.482 56.001 56.400 0.139 0.000 0.945 194 E CB 1.116 30.880 29.700 0.105 0.000 1.057 194 E HN 0.268 nan 8.360 nan 0.000 0.479 195 V N 1.718 121.772 119.914 0.234 0.000 2.419 195 V HA 0.141 4.263 4.120 0.003 0.000 0.287 195 V C -0.648 175.549 176.094 0.171 0.000 1.017 195 V CA -0.556 61.904 62.300 0.267 0.000 0.844 195 V CB 1.542 33.578 31.823 0.355 0.000 1.011 195 V HN 0.536 nan 8.190 nan 0.000 0.429 196 S N 5.342 121.123 115.700 0.134 0.000 2.410 196 S HA 0.441 4.913 4.470 0.003 0.000 0.304 196 S C 0.960 175.603 174.600 0.071 0.000 1.095 196 S CA -0.694 57.553 58.200 0.078 0.000 1.089 196 S CB 0.632 63.859 63.200 0.045 0.000 0.968 196 S HN 0.677 nan 8.310 nan 0.000 0.480 197 L N 3.817 125.088 121.223 0.080 0.000 2.477 197 L HA 0.390 4.732 4.340 0.003 0.000 0.220 197 L C 2.276 179.100 176.870 -0.076 0.000 1.106 197 L CA 0.085 54.977 54.840 0.087 0.000 0.851 197 L CB -0.458 41.713 42.059 0.187 0.000 0.994 197 L HN 0.609 nan 8.230 nan 0.000 0.462 198 R N 1.375 121.846 120.500 -0.048 0.000 2.139 198 R HA -0.163 4.179 4.340 0.003 0.000 0.243 198 R C 1.369 177.596 176.300 -0.121 0.000 1.145 198 R CA 2.149 58.205 56.100 -0.073 0.000 0.976 198 R CB -0.010 30.267 30.300 -0.038 0.000 0.866 198 R HN 0.571 nan 8.270 nan 0.000 0.449 199 E N -0.796 119.326 120.200 -0.129 0.000 2.630 199 E HA 0.100 4.452 4.350 0.003 0.000 0.218 199 E C -0.764 175.709 176.600 -0.211 0.000 0.977 199 E CA -0.210 56.105 56.400 -0.143 0.000 1.038 199 E CB 0.883 30.534 29.700 -0.082 0.000 1.051 199 E HN 0.154 nan 8.360 nan 0.000 0.487 200 K N 1.918 122.121 120.400 -0.329 0.000 3.257 200 K HA -0.242 4.080 4.320 0.003 0.000 0.270 200 K C -0.482 176.007 176.600 -0.185 0.000 0.984 200 K CA 1.201 57.203 56.287 -0.474 0.000 0.739 200 K CB -1.417 30.664 32.500 -0.698 0.000 1.351 200 K HN 0.468 nan 8.250 nan 0.000 0.463 201 E N -0.888 119.236 120.200 -0.127 0.000 2.447 201 E HA 0.472 4.824 4.350 0.003 0.000 0.279 201 E C -1.030 175.485 176.600 -0.141 0.000 1.053 201 E CA -1.096 55.206 56.400 -0.163 0.000 0.840 201 E CB 0.996 30.641 29.700 -0.091 0.000 1.409 201 E HN -0.001 nan 8.360 nan 0.000 0.461 202 F N 0.433 120.324 119.950 -0.099 0.000 2.432 202 F HA 0.476 5.005 4.527 0.003 0.000 0.329 202 F C -0.047 175.705 175.800 -0.080 0.000 1.076 202 F CA -0.972 56.932 58.000 -0.161 0.000 1.018 202 F CB 1.759 40.452 39.000 -0.512 0.000 1.201 202 F HN 0.336 nan 8.300 nan 0.000 0.489 203 N N 1.865 120.709 118.700 0.240 0.000 2.410 203 N HA 0.120 4.862 4.740 0.003 0.000 0.287 203 N C -1.159 174.448 175.510 0.162 0.000 1.044 203 N CA -0.942 52.200 53.050 0.153 0.000 0.881 203 N CB 1.878 40.434 38.487 0.116 0.000 1.405 203 N HN 0.443 nan 8.380 nan 0.000 0.490 204 K N 1.107 121.589 120.400 0.137 0.000 2.427 204 K HA -0.109 4.213 4.320 0.003 0.000 0.262 204 K C 0.520 177.141 176.600 0.035 0.000 1.094 204 K CA 0.326 56.676 56.287 0.106 0.000 1.184 204 K CB -0.109 32.430 32.500 0.065 0.000 0.796 204 K HN 0.676 nan 8.250 nan 0.000 0.491 205 G N 5.047 113.816 108.800 -0.051 0.000 2.614 205 G HA2 0.082 4.044 3.960 0.003 0.000 0.239 205 G HA3 0.082 4.044 3.960 0.003 0.000 0.239 205 G C -1.640 173.152 174.900 -0.180 0.000 1.240 205 G CA -1.284 43.698 45.100 -0.198 0.000 0.842 205 G HN 0.577 nan 8.290 nan 0.000 0.584 206 P HA 0.031 nan 4.420 nan 0.000 0.229 206 P C -0.682 176.725 177.300 0.177 0.000 1.150 206 P CA 0.958 64.041 63.100 -0.029 0.000 0.765 206 P CB -0.057 31.630 31.700 -0.021 0.000 0.783 207 W N -2.983 118.300 121.300 -0.027 0.000 3.707 207 W HA 0.494 5.156 4.660 0.003 0.000 0.294 207 W C -1.377 175.102 176.519 -0.067 0.000 1.248 207 W CA -1.761 55.564 57.345 -0.033 0.000 1.217 207 W CB 0.223 29.675 29.460 -0.013 0.000 1.306 207 W HN -0.492 nan 8.180 nan 0.000 0.532 208 K N 2.862 123.397 120.400 0.224 0.000 2.586 208 K HA -0.103 4.219 4.320 0.003 0.000 0.280 208 K C 0.641 177.293 176.600 0.087 0.000 0.972 208 K CA 0.306 56.652 56.287 0.098 0.000 1.040 208 K CB 0.468 33.015 32.500 0.077 0.000 0.870 208 K HN 0.593 nan 8.250 nan 0.000 0.497 209 Q N 2.997 122.788 119.800 -0.016 0.000 2.286 209 Q HA -0.094 4.248 4.340 0.003 0.000 0.290 209 Q C -0.411 175.589 176.000 0.001 0.000 1.049 209 Q CA 0.606 56.383 55.803 -0.043 0.000 0.923 209 Q CB 0.545 29.245 28.738 -0.063 0.000 1.183 209 Q HN 0.469 nan 8.270 nan 0.000 0.383 210 E N 3.242 123.435 120.200 -0.011 0.000 2.639 210 E HA 0.431 4.783 4.350 0.003 0.000 0.219 210 E C -0.555 176.040 176.600 -0.007 0.000 0.800 210 E CA -0.976 55.420 56.400 -0.006 0.000 1.002 210 E CB 0.432 30.136 29.700 0.007 0.000 1.621 210 E HN 0.594 nan 8.360 nan 0.000 0.396 211 N N 0.203 118.883 118.700 -0.034 0.000 2.443 211 N HA 0.476 5.218 4.740 0.003 0.000 0.293 211 N C -0.293 175.169 175.510 -0.080 0.000 1.159 211 N CA -0.352 52.639 53.050 -0.100 0.000 0.904 211 N CB 2.116 40.535 38.487 -0.113 0.000 1.214 211 N HN 0.303 nan 8.380 nan 0.000 0.513 212 V N -2.418 117.406 119.914 -0.150 0.000 3.167 212 V HA 0.576 4.699 4.120 0.003 0.000 0.310 212 V C -0.083 175.946 176.094 -0.108 0.000 1.207 212 V CA -1.130 61.133 62.300 -0.062 0.000 1.059 212 V CB 1.626 33.392 31.823 -0.095 0.000 1.079 212 V HN 0.743 nan 8.190 nan 0.000 0.446 213 E N 1.373 121.540 120.200 -0.054 0.000 2.390 213 E HA 0.518 4.871 4.350 0.003 0.000 0.261 213 E C 1.264 177.812 176.600 -0.085 0.000 1.076 213 E CA 0.008 56.369 56.400 -0.065 0.000 0.905 213 E CB 1.499 31.181 29.700 -0.030 0.000 0.984 213 E HN 1.251 nan 8.360 nan 0.000 0.427 214 A N 2.848 125.618 122.820 -0.084 0.000 2.054 214 A HA -0.285 4.037 4.320 0.003 0.000 0.225 214 A C 1.486 179.046 177.584 -0.040 0.000 1.209 214 A CA 2.154 54.151 52.037 -0.066 0.000 0.678 214 A CB -0.513 18.459 19.000 -0.047 0.000 0.823 214 A HN 0.687 nan 8.150 nan 0.000 0.484 215 E N -1.564 118.617 120.200 -0.031 0.000 2.758 215 E HA 0.420 4.772 4.350 0.003 0.000 0.215 215 E C 0.179 176.773 176.600 -0.010 0.000 0.985 215 E CA 0.440 56.832 56.400 -0.012 0.000 1.102 215 E CB 0.060 29.755 29.700 -0.008 0.000 1.042 215 E HN 0.568 nan 8.360 nan 0.000 0.480 216 A N 1.340 124.147 122.820 -0.022 0.000 2.546 216 A HA 0.220 4.542 4.320 0.003 0.000 0.243 216 A C 1.243 178.828 177.584 0.001 0.000 1.063 216 A CA 1.030 53.056 52.037 -0.018 0.000 0.757 216 A CB 0.215 19.192 19.000 -0.039 0.000 0.991 216 A HN 0.192 nan 8.150 nan 0.000 0.503 217 S N 1.486 117.193 115.700 0.011 0.000 2.590 217 S HA 0.234 4.706 4.470 0.003 0.000 0.281 217 S C 0.348 174.975 174.600 0.046 0.000 1.068 217 S CA -0.192 58.026 58.200 0.030 0.000 1.193 217 S CB -0.118 63.102 63.200 0.033 0.000 1.040 217 S HN 0.598 nan 8.310 nan 0.000 0.544 218 M N 2.128 121.753 119.600 0.042 0.000 2.598 218 M HA 0.655 5.137 4.480 0.003 0.000 0.317 218 M C -1.235 175.079 176.300 0.023 0.000 1.201 218 M CA -0.702 54.644 55.300 0.076 0.000 0.971 218 M CB 1.946 34.617 32.600 0.118 0.000 1.657 218 M HN 0.019 nan 8.290 nan 0.000 0.470 219 V N 3.122 123.061 119.914 0.042 0.000 2.531 219 V HA 0.534 4.656 4.120 0.003 0.000 0.301 219 V C -0.475 175.594 176.094 -0.041 0.000 1.034 219 V CA -0.591 61.704 62.300 -0.009 0.000 0.865 219 V CB 2.107 33.944 31.823 0.025 0.000 0.995 219 V HN 0.705 nan 8.190 nan 0.000 0.424 220 I N 3.185 123.656 120.570 -0.164 0.000 2.460 220 I HA 0.744 4.916 4.170 0.003 0.000 0.298 220 I C 0.414 176.503 176.117 -0.046 0.000 0.989 220 I CA -0.658 60.518 61.300 -0.206 0.000 1.173 220 I CB 1.986 39.647 38.000 -0.565 0.000 1.338 220 I HN 0.665 nan 8.210 nan 0.000 0.456 221 A N 6.065 128.941 122.820 0.092 0.000 2.654 221 A HA 0.538 4.860 4.320 0.003 0.000 0.345 221 A C -0.267 177.511 177.584 0.324 0.000 1.368 221 A CA -0.544 51.634 52.037 0.235 0.000 0.895 221 A CB -0.097 19.086 19.000 0.305 0.000 1.143 221 A HN 0.473 nan 8.150 nan 0.000 0.490 222 V N 4.409 124.446 119.914 0.205 0.000 2.539 222 V HA 0.044 4.166 4.120 0.003 0.000 0.300 222 V C -1.630 174.488 176.094 0.041 0.000 1.019 222 V CA -0.673 61.720 62.300 0.155 0.000 1.160 222 V CB -0.354 31.579 31.823 0.183 0.000 0.901 222 V HN 0.736 nan 8.190 nan 0.000 0.481 223 P HA 0.003 nan 4.420 nan 0.000 0.269 223 P C 1.122 178.213 177.300 -0.348 0.000 1.211 223 P CA -0.007 62.499 63.100 -0.989 0.000 0.781 223 P CB 0.758 32.065 31.700 -0.654 0.000 0.877 224 E N 1.764 121.803 120.200 -0.268 0.000 2.332 224 E HA -0.266 4.086 4.350 0.003 0.000 0.243 224 E C -0.742 175.954 176.600 0.160 0.000 1.088 224 E CA 2.777 59.249 56.400 0.119 0.000 1.048 224 E CB -1.795 27.995 29.700 0.150 0.000 0.911 224 E HN 0.491 nan 8.360 nan 0.000 0.487 225 P HA -0.187 nan 4.420 nan 0.000 0.215 225 P C 1.233 178.665 177.300 0.220 0.000 1.163 225 P CA 1.742 64.960 63.100 0.196 0.000 0.894 225 P CB -0.201 31.670 31.700 0.285 0.000 0.791 226 F N -1.272 118.701 119.950 0.039 0.000 2.179 226 F HA 0.303 4.832 4.527 0.004 0.000 0.292 226 F C 1.811 177.699 175.800 0.146 0.000 1.089 226 F CA 0.716 58.764 58.000 0.080 0.000 1.295 226 F CB -1.485 37.572 39.000 0.095 0.000 1.041 226 F HN -0.008 nan 8.300 nan 0.000 0.487 227 G N -0.211 108.819 108.800 0.384 0.000 2.916 227 G HA2 0.345 4.307 3.960 0.003 0.000 0.533 227 G HA3 0.345 4.307 3.960 0.003 0.000 0.533 227 G C 0.169 175.283 174.900 0.357 0.000 1.516 227 G CA -0.131 45.173 45.100 0.340 0.000 0.944 227 G HN 1.366 nan 8.290 nan 0.000 0.555 228 G N -1.328 107.653 108.800 0.301 0.000 2.331 228 G HA2 0.607 4.569 3.960 0.003 0.000 0.479 228 G HA3 0.607 4.569 3.960 0.003 0.000 0.479 228 G C -0.249 174.664 174.900 0.021 0.000 1.262 228 G CA 0.835 45.987 45.100 0.087 0.000 1.029 228 G HN 2.961 nan 8.290 nan 0.000 0.487 229 A N -0.768 121.878 122.820 -0.290 0.000 2.455 229 A HA 0.800 5.122 4.320 0.003 0.000 0.300 229 A C -0.588 176.863 177.584 -0.221 0.000 1.040 229 A CA -0.453 51.510 52.037 -0.125 0.000 0.697 229 A CB 1.170 20.205 19.000 0.057 0.000 1.265 229 A HN 1.204 nan 8.150 nan 0.000 0.407 230 I N 2.125 122.628 120.570 -0.112 0.000 2.392 230 I HA 0.389 4.562 4.170 0.003 0.000 0.295 230 I C -0.974 175.107 176.117 -0.060 0.000 0.985 230 I CA -0.571 60.685 61.300 -0.074 0.000 1.221 230 I CB 1.629 39.543 38.000 -0.143 0.000 1.366 230 I HN 0.474 nan 8.210 nan 0.000 0.467 231 I N 7.334 127.910 120.570 0.011 0.000 2.389 231 I HA 0.379 4.551 4.170 0.003 0.000 0.288 231 I C -0.309 175.795 176.117 -0.022 0.000 0.999 231 I CA -0.023 61.281 61.300 0.006 0.000 1.129 231 I CB 1.438 39.482 38.000 0.073 0.000 1.288 231 I HN 0.314 nan 8.210 nan 0.000 0.444 232 I N 5.374 125.918 120.570 -0.044 0.000 2.377 232 I HA 0.708 4.881 4.170 0.003 0.000 0.293 232 I C 0.709 176.812 176.117 -0.023 0.000 0.987 232 I CA -0.004 61.269 61.300 -0.044 0.000 1.185 232 I CB 1.566 39.533 38.000 -0.054 0.000 1.341 232 I HN 0.685 nan 8.210 nan 0.000 0.455 233 G N 3.801 112.583 108.800 -0.029 0.000 3.211 233 G HA2 0.410 4.372 3.960 0.003 0.000 0.262 233 G HA3 0.410 4.372 3.960 0.003 0.000 0.262 233 G C -1.023 173.858 174.900 -0.031 0.000 1.352 233 G CA -0.403 44.683 45.100 -0.023 0.000 1.004 233 G HN 0.343 nan 8.290 nan 0.000 0.559 234 Q N 0.197 119.981 119.800 -0.026 0.000 2.373 234 Q HA 0.203 4.545 4.340 0.003 0.000 0.255 234 Q C 0.907 176.881 176.000 -0.044 0.000 0.980 234 Q CA 0.622 56.406 55.803 -0.032 0.000 0.882 234 Q CB 1.205 29.930 28.738 -0.021 0.000 1.249 234 Q HN 0.868 nan 8.270 nan 0.000 0.438 235 E N -0.905 119.261 120.200 -0.056 0.000 3.436 235 E HA -0.272 4.080 4.350 0.003 0.000 0.284 235 E C -0.391 176.166 176.600 -0.071 0.000 0.830 235 E CA 1.840 58.201 56.400 -0.064 0.000 0.908 235 E CB -1.182 28.492 29.700 -0.043 0.000 1.458 235 E HN 0.262 nan 8.360 nan 0.000 0.467 236 S N -0.612 115.048 115.700 -0.066 0.000 2.541 236 S HA 0.758 5.230 4.470 0.003 0.000 0.280 236 S C -0.990 173.570 174.600 -0.066 0.000 1.112 236 S CA -0.823 57.340 58.200 -0.061 0.000 0.925 236 S CB 1.048 64.227 63.200 -0.036 0.000 1.067 236 S HN 0.324 nan 8.310 nan 0.000 0.479 237 I N 3.131 123.655 120.570 -0.077 0.000 2.619 237 I HA 0.530 4.702 4.170 0.003 0.000 0.292 237 I C -0.433 175.631 176.117 -0.089 0.000 1.100 237 I CA -0.509 60.744 61.300 -0.078 0.000 1.043 237 I CB 2.652 40.593 38.000 -0.098 0.000 1.239 237 I HN 0.845 nan 8.210 nan 0.000 0.420 238 T N 1.868 116.381 114.554 -0.068 0.000 2.883 238 T HA 0.562 4.914 4.350 0.003 0.000 0.301 238 T C -1.491 173.160 174.700 -0.083 0.000 1.158 238 T CA -0.776 61.237 62.100 -0.144 0.000 1.007 238 T CB 2.125 70.940 68.868 -0.088 0.000 1.186 238 T HN 0.480 nan 8.240 nan 0.000 0.499 239 Y N 1.259 121.314 120.300 -0.408 0.000 2.462 239 Y HA 0.642 5.194 4.550 0.003 0.000 0.346 239 Y C -0.747 174.869 175.900 -0.472 0.000 0.976 239 Y CA -0.734 57.204 58.100 -0.271 0.000 1.044 239 Y CB 1.710 40.038 38.460 -0.219 0.000 1.230 239 Y HN 0.862 nan 8.280 nan 0.000 0.455 240 H N 4.521 123.278 119.070 -0.523 0.000 2.690 240 H HA 0.427 4.985 4.556 0.003 0.000 0.368 240 H C -1.220 173.644 175.328 -0.774 0.000 1.150 240 H CA -1.094 54.717 56.048 -0.394 0.000 1.174 240 H CB 2.424 32.096 29.762 -0.149 0.000 1.684 240 H HN 0.636 nan 8.280 nan 0.000 0.538 241 N N -0.227 118.089 118.700 -0.640 0.000 2.859 241 N HA 0.104 4.846 4.740 0.003 0.000 0.250 241 N C 0.956 175.754 175.510 -1.186 0.000 1.341 241 N CA 0.390 52.743 53.050 -1.162 0.000 0.881 241 N CB 1.906 40.126 38.487 -0.445 0.000 1.516 241 N HN 0.813 nan 8.380 nan 0.000 0.503 242 G N 1.482 109.410 108.800 -1.453 0.000 3.869 242 G HA2 -0.339 3.623 3.960 0.003 0.000 0.260 242 G HA3 -0.339 3.623 3.960 0.003 0.000 0.260 242 G C 0.225 174.905 174.900 -0.366 0.000 0.870 242 G CA 1.777 46.532 45.100 -0.575 0.000 0.731 242 G HN 0.798 nan 8.290 nan 0.000 1.403 243 D N 0.408 120.703 120.400 -0.174 0.000 2.402 243 D HA 0.204 4.846 4.640 0.003 0.000 0.216 243 D C 0.662 176.933 176.300 -0.049 0.000 1.128 243 D CA -0.080 53.871 54.000 -0.082 0.000 0.833 243 D CB 0.653 41.433 40.800 -0.033 0.000 0.971 243 D HN 0.185 nan 8.370 nan 0.000 0.503 244 K N 0.957 121.311 120.400 -0.077 0.000 2.205 244 K HA 0.211 4.533 4.320 0.003 0.000 0.279 244 K C -1.386 175.270 176.600 0.094 0.000 1.027 244 K CA -0.518 55.776 56.287 0.011 0.000 0.932 244 K CB 0.560 33.085 32.500 0.042 0.000 1.032 244 K HN -0.076 nan 8.250 nan 0.000 0.466 245 Y N 4.662 124.928 120.300 -0.056 0.000 2.301 245 Y HA 0.308 4.860 4.550 0.003 0.000 0.334 245 Y C -2.017 173.827 175.900 -0.094 0.000 1.158 245 Y CA -0.624 57.411 58.100 -0.109 0.000 1.266 245 Y CB 0.442 38.827 38.460 -0.125 0.000 1.153 245 Y HN 0.498 nan 8.280 nan 0.000 0.453 246 L N 4.681 125.611 121.223 -0.488 0.000 2.352 246 L HA 1.028 5.370 4.340 0.003 0.000 0.269 246 L C -0.394 176.063 176.870 -0.688 0.000 1.034 246 L CA -0.951 53.594 54.840 -0.491 0.000 0.806 246 L CB 1.894 43.761 42.059 -0.320 0.000 1.244 246 L HN 0.722 nan 8.230 nan 0.000 0.447 247 A N 2.688 125.226 122.820 -0.470 0.000 2.560 247 A HA 0.665 4.987 4.320 0.003 0.000 0.300 247 A C -1.278 176.187 177.584 -0.198 0.000 1.062 247 A CA -0.459 51.348 52.037 -0.383 0.000 0.767 247 A CB 0.999 19.685 19.000 -0.524 0.000 1.288 247 A HN 0.659 nan 8.150 nan 0.000 0.396 248 I N -1.088 119.395 120.570 -0.145 0.000 2.828 248 I HA 0.926 5.098 4.170 0.003 0.000 0.302 248 I C -0.045 176.022 176.117 -0.083 0.000 1.101 248 I CA -1.093 60.146 61.300 -0.102 0.000 1.031 248 I CB 2.606 40.546 38.000 -0.101 0.000 1.231 248 I HN 0.962 nan 8.210 nan 0.000 0.427 249 A N 4.862 127.642 122.820 -0.067 0.000 3.204 249 A HA 0.599 4.921 4.320 0.003 0.000 0.327 249 A C -2.607 174.940 177.584 -0.061 0.000 0.998 249 A CA -1.252 50.749 52.037 -0.060 0.000 0.891 249 A CB -0.421 18.554 19.000 -0.041 0.000 1.061 249 A HN 0.588 nan 8.150 nan 0.000 0.478 250 P HA 0.258 nan 4.420 nan 0.000 0.280 250 P C -2.290 174.967 177.300 -0.071 0.000 1.300 250 P CA -1.197 61.857 63.100 -0.076 0.000 0.785 250 P CB 1.151 32.789 31.700 -0.103 0.000 0.874 251 P HA -0.215 nan 4.420 nan 0.000 0.218 251 P C 1.654 178.936 177.300 -0.031 0.000 1.152 251 P CA 1.110 64.192 63.100 -0.030 0.000 0.857 251 P CB -0.097 31.595 31.700 -0.013 0.000 0.787 252 I N -0.450 120.102 120.570 -0.029 0.000 2.248 252 I HA -0.242 3.930 4.170 0.003 0.000 0.248 252 I C 1.903 177.994 176.117 -0.043 0.000 1.107 252 I CA 1.645 62.948 61.300 0.005 0.000 1.373 252 I CB -0.186 37.842 38.000 0.046 0.000 1.055 252 I HN -0.086 nan 8.210 nan 0.000 0.418 253 I N -2.289 118.168 120.570 -0.188 0.000 3.059 253 I HA -0.112 4.060 4.170 0.003 0.000 0.270 253 I C 2.253 178.303 176.117 -0.111 0.000 1.238 253 I CA 0.702 61.839 61.300 -0.271 0.000 1.478 253 I CB -0.474 37.268 38.000 -0.430 0.000 1.097 253 I HN 0.033 nan 8.210 nan 0.000 0.455 254 K N 1.428 121.786 120.400 -0.070 0.000 2.103 254 K HA -0.245 4.077 4.320 0.003 0.000 0.207 254 K C 2.196 178.786 176.600 -0.016 0.000 1.048 254 K CA 1.673 57.936 56.287 -0.039 0.000 0.930 254 K CB -0.121 32.361 32.500 -0.030 0.000 0.716 254 K HN 0.358 nan 8.250 nan 0.000 0.444 255 Q N -0.169 119.633 119.800 0.004 0.000 2.290 255 Q HA -0.128 4.214 4.340 0.003 0.000 0.211 255 Q C 0.104 176.112 176.000 0.013 0.000 0.991 255 Q CA 1.394 57.208 55.803 0.019 0.000 0.893 255 Q CB 0.076 28.843 28.738 0.048 0.000 0.913 255 Q HN 0.178 nan 8.270 nan 0.000 0.428 256 S N -2.796 112.916 115.700 0.019 0.000 2.615 256 S HA 0.319 4.791 4.470 0.003 0.000 0.268 256 S C -1.377 173.234 174.600 0.017 0.000 1.146 256 S CA -0.903 57.303 58.200 0.011 0.000 0.818 256 S CB 1.360 64.569 63.200 0.015 0.000 1.111 256 S HN 0.045 nan 8.310 nan 0.000 0.465 257 T N 2.474 117.035 114.554 0.011 0.000 2.889 257 T HA 0.517 4.869 4.350 0.003 0.000 0.291 257 T C 0.270 174.994 174.700 0.040 0.000 0.995 257 T CA -0.205 61.904 62.100 0.013 0.000 1.092 257 T CB 0.315 69.188 68.868 0.009 0.000 0.954 257 T HN 0.465 nan 8.240 nan 0.000 0.506 258 I N 2.196 122.788 120.570 0.036 0.000 2.779 258 I HA 0.179 4.351 4.170 0.003 0.000 0.285 258 I C 0.960 177.118 176.117 0.069 0.000 1.134 258 I CA 0.313 61.655 61.300 0.069 0.000 1.398 258 I CB 0.973 39.002 38.000 0.048 0.000 1.404 258 I HN 0.413 nan 8.210 nan 0.000 0.587 259 V N 2.941 122.907 119.914 0.086 0.000 3.113 259 V HA 0.084 4.206 4.120 0.003 0.000 0.252 259 V C -0.864 175.261 176.094 0.050 0.000 1.681 259 V CA 0.321 62.658 62.300 0.061 0.000 1.042 259 V CB 0.864 32.715 31.823 0.047 0.000 0.922 259 V HN 0.965 nan 8.190 nan 0.000 0.407 260 C N 0.224 119.564 119.300 0.067 0.000 3.181 260 C HA 0.852 5.314 4.460 0.003 0.000 0.362 260 C C -0.684 174.357 174.990 0.084 0.000 1.125 260 C CA -0.577 58.442 59.018 0.002 0.000 1.265 260 C CB 0.560 28.290 27.740 -0.017 0.000 1.632 260 C HN 0.730 nan 8.230 nan 0.000 0.525 261 H N 0.562 119.671 119.070 0.066 0.000 2.908 261 H HA 0.916 5.474 4.556 0.003 0.000 0.350 261 H C -0.922 174.485 175.328 0.131 0.000 1.217 261 H CA -0.578 55.523 56.048 0.088 0.000 1.168 261 H CB 1.333 31.116 29.762 0.035 0.000 1.891 261 H HN 0.920 nan 8.280 nan 0.000 0.566 262 N N -0.715 118.213 118.700 0.381 0.000 2.446 262 N HA 0.197 4.939 4.740 0.003 0.000 0.272 262 N C -1.787 173.985 175.510 0.436 0.000 1.127 262 N CA -0.915 52.333 53.050 0.330 0.000 0.896 262 N CB 2.136 40.757 38.487 0.223 0.000 1.658 262 N HN 0.799 nan 8.380 nan 0.000 0.483 263 R N 2.809 123.531 120.500 0.370 0.000 2.234 263 R HA 0.381 4.723 4.340 0.003 0.000 0.324 263 R C -0.154 176.090 176.300 -0.094 0.000 1.054 263 R CA -0.394 55.730 56.100 0.040 0.000 0.912 263 R CB 0.539 30.887 30.300 0.081 0.000 1.030 263 R HN 0.448 nan 8.270 nan 0.000 0.455 264 V N 2.644 122.373 119.914 -0.307 0.000 2.331 264 V HA -0.024 4.098 4.120 0.003 0.000 0.242 264 V C 0.345 176.204 176.094 -0.392 0.000 1.034 264 V CA 1.219 63.270 62.300 -0.413 0.000 1.027 264 V CB -0.177 31.307 31.823 -0.565 0.000 0.667 264 V HN 0.769 nan 8.190 nan 0.000 0.457 265 D N 0.310 120.478 120.400 -0.385 0.000 2.233 265 D HA 0.272 4.915 4.640 0.003 0.000 0.240 265 D C -1.788 174.385 176.300 -0.212 0.000 1.074 265 D CA -1.752 52.093 54.000 -0.258 0.000 0.838 265 D CB 1.711 42.370 40.800 -0.236 0.000 1.124 265 D HN 0.027 nan 8.370 nan 0.000 0.475 266 P HA -0.212 nan 4.420 nan 0.000 0.218 266 P C 1.053 178.297 177.300 -0.094 0.000 1.150 266 P CA 1.261 64.329 63.100 -0.054 0.000 0.841 266 P CB 0.235 31.940 31.700 0.008 0.000 0.784 267 N N -1.730 116.917 118.700 -0.088 0.000 2.415 267 N HA -0.014 4.729 4.740 0.003 0.000 0.176 267 N C 1.263 176.651 175.510 -0.204 0.000 1.042 267 N CA 1.289 54.330 53.050 -0.016 0.000 0.902 267 N CB -0.424 38.141 38.487 0.129 0.000 0.986 267 N HN 0.193 nan 8.380 nan 0.000 0.447 268 G N 0.694 109.256 108.800 -0.396 0.000 2.131 268 G HA2 -0.303 3.659 3.960 0.003 0.000 0.201 268 G HA3 -0.303 3.659 3.960 0.003 0.000 0.201 268 G C 0.856 175.288 174.900 -0.780 0.000 1.000 268 G CA 0.546 45.228 45.100 -0.697 0.000 0.680 268 G HN 0.560 nan 8.290 nan 0.000 0.514 269 S N -0.794 114.646 115.700 -0.433 0.000 2.382 269 S HA 0.122 4.594 4.470 0.003 0.000 0.228 269 S C 1.157 175.620 174.600 -0.227 0.000 1.027 269 S CA 1.186 59.278 58.200 -0.179 0.000 0.991 269 S CB 0.238 63.428 63.200 -0.017 0.000 0.823 269 S HN 0.721 nan 8.310 nan 0.000 0.469 270 R N -0.692 119.584 120.500 -0.374 0.000 2.795 270 R HA 0.704 5.046 4.340 0.003 0.000 0.275 270 R C -1.892 174.088 176.300 -0.533 0.000 0.981 270 R CA -0.645 55.265 56.100 -0.316 0.000 0.917 270 R CB 1.583 31.730 30.300 -0.256 0.000 1.202 270 R HN 0.269 nan 8.270 nan 0.000 0.469 271 Y N 0.525 120.778 120.300 -0.079 0.000 2.544 271 Y HA 0.347 4.899 4.550 0.003 0.000 0.342 271 Y C -0.418 175.492 175.900 0.016 0.000 1.062 271 Y CA -0.883 57.201 58.100 -0.026 0.000 1.023 271 Y CB 1.885 40.333 38.460 -0.020 0.000 1.308 271 Y HN 0.221 nan 8.280 nan 0.000 0.457 272 L N 3.966 125.326 121.223 0.228 0.000 2.399 272 L HA 0.555 4.897 4.340 0.003 0.000 0.266 272 L C -0.848 176.159 176.870 0.228 0.000 1.114 272 L CA -0.621 54.332 54.840 0.188 0.000 0.804 272 L CB 0.834 42.989 42.059 0.159 0.000 1.146 272 L HN 0.437 nan 8.230 nan 0.000 0.451 273 L N 1.425 122.784 121.223 0.226 0.000 2.436 273 L HA 0.559 4.901 4.340 0.003 0.000 0.268 273 L C 0.051 177.064 176.870 0.238 0.000 0.974 273 L CA -0.632 54.358 54.840 0.250 0.000 0.826 273 L CB 1.899 44.112 42.059 0.257 0.000 1.291 273 L HN 0.605 nan 8.230 nan 0.000 0.406 274 G N 0.405 109.312 108.800 0.177 0.000 2.348 274 G HA2 0.409 4.371 3.960 0.003 0.000 0.312 274 G HA3 0.409 4.371 3.960 0.003 0.000 0.312 274 G C -1.239 173.751 174.900 0.150 0.000 1.126 274 G CA -0.143 45.030 45.100 0.121 0.000 0.865 274 G HN 0.501 nan 8.290 nan 0.000 0.474 275 D N 1.772 122.250 120.400 0.129 0.000 2.217 275 D HA 0.177 4.819 4.640 0.003 0.000 0.248 275 D C 1.319 177.650 176.300 0.051 0.000 1.008 275 D CA -0.800 53.279 54.000 0.132 0.000 0.914 275 D CB 1.760 42.663 40.800 0.171 0.000 1.182 275 D HN 0.140 nan 8.370 nan 0.000 0.451 276 M N 1.584 121.200 119.600 0.026 0.000 2.446 276 M HA -0.103 4.379 4.480 0.003 0.000 0.263 276 M C 0.910 177.178 176.300 -0.053 0.000 1.066 276 M CA 1.422 56.709 55.300 -0.022 0.000 1.087 276 M CB -0.302 32.261 32.600 -0.062 0.000 1.406 276 M HN 0.372 nan 8.290 nan 0.000 0.459 277 E N -0.671 119.512 120.200 -0.029 0.000 2.435 277 E HA 0.125 4.477 4.350 0.003 0.000 0.195 277 E C 1.418 178.003 176.600 -0.025 0.000 1.029 277 E CA 0.838 57.214 56.400 -0.041 0.000 0.865 277 E CB -0.081 29.613 29.700 -0.011 0.000 0.833 277 E HN 0.658 nan 8.360 nan 0.000 0.510 278 G N 1.814 110.604 108.800 -0.017 0.000 2.176 278 G HA2 -0.312 3.650 3.960 0.003 0.000 0.253 278 G HA3 -0.312 3.650 3.960 0.003 0.000 0.253 278 G C 0.379 175.237 174.900 -0.070 0.000 0.979 278 G CA 0.166 45.249 45.100 -0.028 0.000 0.641 278 G HN 0.209 nan 8.290 nan 0.000 0.530 279 R N -0.463 119.976 120.500 -0.102 0.000 2.594 279 R HA 0.542 4.884 4.340 0.003 0.000 0.272 279 R C -0.363 175.719 176.300 -0.363 0.000 1.074 279 R CA -0.354 55.587 56.100 -0.265 0.000 1.105 279 R CB 0.883 30.981 30.300 -0.337 0.000 1.008 279 R HN 0.199 nan 8.270 nan 0.000 0.472 280 L N 3.545 124.477 121.223 -0.485 0.000 2.333 280 L HA 0.481 4.823 4.340 0.003 0.000 0.280 280 L C -1.453 175.126 176.870 -0.485 0.000 1.004 280 L CA -0.241 54.412 54.840 -0.311 0.000 0.820 280 L CB 1.105 43.080 42.059 -0.141 0.000 1.247 280 L HN 0.421 nan 8.230 nan 0.000 0.416 281 F N 4.481 124.453 119.950 0.037 0.000 2.532 281 F HA 0.577 5.106 4.527 0.003 0.000 0.321 281 F C 0.019 175.835 175.800 0.026 0.000 1.089 281 F CA -0.786 57.231 58.000 0.028 0.000 0.926 281 F CB 1.954 40.967 39.000 0.022 0.000 1.168 281 F HN 0.359 nan 8.300 nan 0.000 0.459 282 M N 4.290 124.008 119.600 0.195 0.000 2.080 282 M HA 0.380 4.862 4.480 0.003 0.000 0.350 282 M C -1.488 174.874 176.300 0.104 0.000 1.173 282 M CA -0.166 55.197 55.300 0.105 0.000 1.052 282 M CB 0.474 33.083 32.600 0.015 0.000 1.577 282 M HN 0.536 nan 8.290 nan 0.000 0.455 283 L N 6.604 127.892 121.223 0.109 0.000 2.264 283 L HA 0.518 4.860 4.340 0.003 0.000 0.289 283 L C -1.658 175.251 176.870 0.065 0.000 1.044 283 L CA -0.614 54.273 54.840 0.078 0.000 0.807 283 L CB 0.596 42.711 42.059 0.092 0.000 1.192 283 L HN 0.724 nan 8.230 nan 0.000 0.425 284 L N 5.876 127.112 121.223 0.021 0.000 2.341 284 L HA 0.513 4.855 4.340 0.003 0.000 0.278 284 L C -0.648 176.222 176.870 0.000 0.000 1.005 284 L CA -0.258 54.581 54.840 -0.003 0.000 0.818 284 L CB 1.835 43.881 42.059 -0.023 0.000 1.259 284 L HN 0.438 nan 8.230 nan 0.000 0.418 285 L N 2.442 123.672 121.223 0.011 0.000 2.296 285 L HA 0.456 4.798 4.340 0.003 0.000 0.286 285 L C 0.190 177.114 176.870 0.090 0.000 1.023 285 L CA -0.453 54.413 54.840 0.043 0.000 0.812 285 L CB 1.479 43.576 42.059 0.062 0.000 1.223 285 L HN 0.621 nan 8.230 nan 0.000 0.421 286 E N 4.742 124.960 120.200 0.029 0.000 1.996 286 E HA 0.137 4.489 4.350 0.003 0.000 0.280 286 E C -0.472 176.125 176.600 -0.005 0.000 1.092 286 E CA -0.331 56.074 56.400 0.008 0.000 0.862 286 E CB 0.670 30.351 29.700 -0.032 0.000 1.066 286 E HN 0.454 nan 8.360 nan 0.000 0.396 287 K N 2.576 122.976 120.400 -0.000 0.000 2.188 287 K HA 0.108 4.430 4.320 0.003 0.000 0.246 287 K C 0.205 176.717 176.600 -0.147 0.000 1.026 287 K CA 0.166 56.360 56.287 -0.155 0.000 0.871 287 K CB 0.491 32.858 32.500 -0.222 0.000 1.042 287 K HN 0.422 nan 8.250 nan 0.000 0.509 288 E N 0.319 120.404 120.200 -0.191 0.000 2.397 288 E HA 0.066 4.418 4.350 0.003 0.000 0.293 288 E C -1.907 174.613 176.600 -0.134 0.000 0.930 288 E CA -0.217 56.103 56.400 -0.134 0.000 0.793 288 E CB 1.734 31.366 29.700 -0.113 0.000 1.259 288 E HN 0.535 nan 8.360 nan 0.000 0.406 289 E N 2.706 122.845 120.200 -0.102 0.000 2.207 289 E HA 0.293 4.645 4.350 0.003 0.000 0.270 289 E C -1.216 175.346 176.600 -0.064 0.000 0.927 289 E CA -0.612 55.735 56.400 -0.087 0.000 0.799 289 E CB 1.500 31.154 29.700 -0.077 0.000 1.172 289 E HN 0.490 nan 8.360 nan 0.000 0.404 290 Q N 3.341 123.107 119.800 -0.056 0.000 2.345 290 Q HA 0.319 4.661 4.340 0.003 0.000 0.268 290 Q C 0.424 176.403 176.000 -0.034 0.000 1.054 290 Q CA -0.584 55.195 55.803 -0.041 0.000 0.835 290 Q CB 1.863 30.579 28.738 -0.036 0.000 1.339 290 Q HN 0.598 nan 8.270 nan 0.000 0.447 291 M N 1.196 120.780 119.600 -0.027 0.000 3.023 291 M HA -0.225 4.257 4.480 0.003 0.000 0.274 291 M C 0.464 176.753 176.300 -0.019 0.000 1.053 291 M CA 2.380 57.667 55.300 -0.022 0.000 1.063 291 M CB -0.337 32.253 32.600 -0.017 0.000 1.223 291 M HN 0.888 nan 8.290 nan 0.000 0.530 292 D N 0.104 120.495 120.400 -0.015 0.000 2.638 292 D HA 0.368 5.010 4.640 0.003 0.000 0.245 292 D C -0.323 175.969 176.300 -0.012 0.000 1.176 292 D CA 0.032 54.025 54.000 -0.012 0.000 0.996 292 D CB 0.120 40.916 40.800 -0.007 0.000 1.012 292 D HN 0.383 nan 8.370 nan 0.000 0.515 293 G N 0.405 109.194 108.800 -0.019 0.000 2.768 293 G HA2 0.347 4.309 3.960 0.003 0.000 0.297 293 G HA3 0.347 4.309 3.960 0.003 0.000 0.297 293 G C -0.404 174.478 174.900 -0.031 0.000 1.430 293 G CA -0.661 44.426 45.100 -0.020 0.000 1.030 293 G HN 0.090 nan 8.290 nan 0.000 0.553 294 T N 1.009 115.547 114.554 -0.026 0.000 2.903 294 T HA 0.330 4.682 4.350 0.003 0.000 0.314 294 T C 1.176 175.833 174.700 -0.071 0.000 1.078 294 T CA -0.038 62.039 62.100 -0.037 0.000 1.114 294 T CB 1.222 70.083 68.868 -0.012 0.000 0.987 294 T HN 1.252 nan 8.240 nan 0.000 0.548 295 V N 1.711 121.555 119.914 -0.117 0.000 2.493 295 V HA 0.231 4.353 4.120 0.003 0.000 0.292 295 V C 0.922 176.887 176.094 -0.216 0.000 1.016 295 V CA -0.493 61.687 62.300 -0.200 0.000 1.097 295 V CB -0.249 31.380 31.823 -0.323 0.000 0.947 295 V HN 0.993 nan 8.190 nan 0.000 0.479 296 T N 4.726 119.172 114.554 -0.180 0.000 3.225 296 T HA 0.654 5.006 4.350 0.003 0.000 0.347 296 T C -0.457 174.114 174.700 -0.214 0.000 1.254 296 T CA -0.245 61.763 62.100 -0.153 0.000 0.950 296 T CB 0.462 69.269 68.868 -0.102 0.000 1.873 296 T HN 0.608 nan 8.240 nan 0.000 0.563 297 L N 1.227 122.348 121.223 -0.169 0.000 2.505 297 L HA 0.500 4.842 4.340 0.003 0.000 0.266 297 L C 0.266 177.039 176.870 -0.161 0.000 0.954 297 L CA -0.605 54.128 54.840 -0.179 0.000 0.852 297 L CB 2.080 43.990 42.059 -0.247 0.000 1.282 297 L HN 0.503 nan 8.230 nan 0.000 0.403 298 K N 1.043 121.365 120.400 -0.130 0.000 2.121 298 K HA 0.280 4.602 4.320 0.003 0.000 0.203 298 K C -0.192 176.337 176.600 -0.119 0.000 1.041 298 K CA 1.091 57.312 56.287 -0.109 0.000 0.969 298 K CB 0.325 32.775 32.500 -0.083 0.000 0.799 298 K HN 0.655 nan 8.250 nan 0.000 0.456 299 D N -1.182 119.150 120.400 -0.113 0.000 2.622 299 D HA 0.307 4.949 4.640 0.003 0.000 0.255 299 D C -1.649 174.587 176.300 -0.107 0.000 1.246 299 D CA -0.575 53.356 54.000 -0.114 0.000 0.795 299 D CB 1.141 41.891 40.800 -0.083 0.000 1.369 299 D HN 0.054 nan 8.370 nan 0.000 0.425 300 L N 0.182 121.338 121.223 -0.111 0.000 2.385 300 L HA 0.838 5.180 4.340 0.003 0.000 0.273 300 L C -0.804 176.024 176.870 -0.069 0.000 0.990 300 L CA -0.879 53.911 54.840 -0.084 0.000 0.821 300 L CB 2.039 44.041 42.059 -0.095 0.000 1.279 300 L HN 0.517 nan 8.230 nan 0.000 0.412 301 R N 2.294 122.766 120.500 -0.048 0.000 2.867 301 R HA 0.849 5.191 4.340 0.003 0.000 0.268 301 R C -1.975 174.307 176.300 -0.029 0.000 1.014 301 R CA -0.847 55.227 56.100 -0.044 0.000 0.946 301 R CB 2.377 32.656 30.300 -0.035 0.000 1.208 301 R HN 0.492 nan 8.270 nan 0.000 0.477 302 V N 1.248 121.143 119.914 -0.030 0.000 2.409 302 V HA 0.314 4.436 4.120 0.003 0.000 0.291 302 V C -0.672 175.453 176.094 0.052 0.000 1.020 302 V CA -0.597 61.698 62.300 -0.008 0.000 0.848 302 V CB 1.498 33.260 31.823 -0.102 0.000 0.990 302 V HN 0.805 nan 8.190 nan 0.000 0.430 303 E N 3.544 123.805 120.200 0.102 0.000 2.129 303 E HA 0.414 4.766 4.350 0.003 0.000 0.268 303 E C -0.788 175.947 176.600 0.225 0.000 0.900 303 E CA -0.874 55.590 56.400 0.107 0.000 0.755 303 E CB 1.540 31.242 29.700 0.003 0.000 1.117 303 E HN 0.574 nan 8.360 nan 0.000 0.410 304 L N 5.590 126.985 121.223 0.286 0.000 2.513 304 L HA 0.028 4.370 4.340 0.003 0.000 0.272 304 L C -0.306 176.605 176.870 0.069 0.000 1.187 304 L CA 0.884 55.834 54.840 0.183 0.000 0.895 304 L CB 0.290 42.452 42.059 0.172 0.000 1.147 304 L HN 0.842 nan 8.230 nan 0.000 0.483 305 L N 4.485 125.682 121.223 -0.042 0.000 2.500 305 L HA 0.433 4.775 4.340 0.003 0.000 0.219 305 L C 1.149 178.058 176.870 0.065 0.000 1.057 305 L CA 0.628 55.509 54.840 0.068 0.000 0.854 305 L CB 0.145 42.213 42.059 0.014 0.000 1.078 305 L HN 0.939 nan 8.230 nan 0.000 0.480 306 G N 0.296 109.045 108.800 -0.084 0.000 2.553 306 G HA2 0.013 3.975 3.960 0.003 0.000 0.106 306 G HA3 0.013 3.975 3.960 0.003 0.000 0.106 306 G C -1.438 173.388 174.900 -0.124 0.000 1.126 306 G CA -0.312 44.744 45.100 -0.074 0.000 1.075 306 G HN 0.053 nan 8.290 nan 0.000 0.472 307 E N -0.073 120.077 120.200 -0.084 0.000 2.311 307 E HA 0.611 4.963 4.350 0.003 0.000 0.281 307 E C -0.192 176.371 176.600 -0.061 0.000 0.905 307 E CA -0.008 56.343 56.400 -0.081 0.000 0.778 307 E CB 1.766 31.430 29.700 -0.061 0.000 1.240 307 E HN 0.901 nan 8.360 nan 0.000 0.410 308 T N 0.369 114.886 114.554 -0.062 0.000 2.718 308 T HA 0.629 4.981 4.350 0.003 0.000 0.267 308 T C 0.061 174.735 174.700 -0.043 0.000 0.957 308 T CA -0.757 61.310 62.100 -0.055 0.000 1.025 308 T CB 0.968 69.799 68.868 -0.062 0.000 1.355 308 T HN 0.313 nan 8.240 nan 0.000 0.572 309 S N 0.582 116.252 115.700 -0.049 0.000 2.645 309 S HA 0.458 4.930 4.470 0.003 0.000 0.266 309 S C 0.438 175.022 174.600 -0.026 0.000 1.258 309 S CA -0.936 57.245 58.200 -0.032 0.000 0.990 309 S CB -0.037 63.137 63.200 -0.044 0.000 0.967 309 S HN 0.610 nan 8.310 nan 0.000 0.556 310 I N 1.775 122.346 120.570 0.001 0.000 2.664 310 I HA 0.113 4.285 4.170 0.003 0.000 0.284 310 I C 0.709 176.822 176.117 -0.008 0.000 1.154 310 I CA -0.078 61.230 61.300 0.014 0.000 1.402 310 I CB -1.690 36.348 38.000 0.062 0.000 1.395 310 I HN 0.641 nan 8.210 nan 0.000 0.545 311 A N 6.822 129.633 122.820 -0.015 0.000 2.309 311 A HA 0.363 4.685 4.320 0.003 0.000 0.298 311 A C 1.044 178.619 177.584 -0.016 0.000 1.165 311 A CA -0.487 51.529 52.037 -0.034 0.000 0.821 311 A CB 1.081 20.058 19.000 -0.038 0.000 1.102 311 A HN 0.769 nan 8.150 nan 0.000 0.500 312 E N 0.348 120.532 120.200 -0.027 0.000 2.201 312 E HA 0.054 4.406 4.350 0.003 0.000 0.193 312 E C -0.422 176.166 176.600 -0.020 0.000 0.957 312 E CA 0.726 57.116 56.400 -0.018 0.000 0.858 312 E CB 0.547 30.236 29.700 -0.019 0.000 0.816 312 E HN 0.628 nan 8.360 nan 0.000 0.475 313 c N 1.370 119.956 118.600 -0.023 0.000 2.516 313 c HA 0.523 5.095 4.570 0.003 0.000 0.338 313 c C -1.528 172.562 174.090 -0.001 0.000 1.132 313 c CA -0.814 55.516 56.329 0.001 0.000 1.310 313 c CB 0.057 42.590 42.510 0.039 0.000 1.898 313 c HN 0.110 nan 8.230 nan 0.000 0.452 314 L N 4.449 125.693 121.223 0.035 0.000 2.362 314 L HA 0.791 5.133 4.340 0.003 0.000 0.271 314 L C 0.088 177.035 176.870 0.130 0.000 1.002 314 L CA 0.191 55.070 54.840 0.065 0.000 0.818 314 L CB 2.186 44.290 42.059 0.076 0.000 1.298 314 L HN 0.749 nan 8.230 nan 0.000 0.420 315 T N 2.241 116.899 114.554 0.174 0.000 3.143 315 T HA 0.234 4.586 4.350 0.003 0.000 0.312 315 T C -0.947 173.865 174.700 0.186 0.000 0.986 315 T CA -0.439 61.772 62.100 0.186 0.000 1.024 315 T CB 0.638 69.612 68.868 0.177 0.000 1.030 315 T HN 0.270 nan 8.240 nan 0.000 0.448 316 Y N 4.444 124.792 120.300 0.081 0.000 2.526 316 Y HA 0.424 4.976 4.550 0.003 0.000 0.330 316 Y C -0.032 175.898 175.900 0.050 0.000 1.156 316 Y CA -0.065 58.071 58.100 0.059 0.000 1.419 316 Y CB 0.258 38.740 38.460 0.036 0.000 1.250 316 Y HN 0.625 nan 8.280 nan 0.000 0.540 317 L N 3.121 123.917 121.223 -0.710 0.000 2.665 317 L HA 0.192 4.534 4.340 0.003 0.000 0.201 317 L C 1.146 177.668 176.870 -0.581 0.000 1.805 317 L CA -0.832 53.733 54.840 -0.459 0.000 3.015 317 L CB -0.214 41.694 42.059 -0.252 0.000 2.866 317 L HN 0.524 nan 8.230 nan 0.000 0.765 318 D N 0.482 120.672 120.400 -0.350 0.000 1.852 318 D HA -0.038 4.604 4.640 0.003 0.000 0.277 318 D C 0.029 176.207 176.300 -0.203 0.000 1.056 318 D CA 1.089 54.972 54.000 -0.194 0.000 0.962 318 D CB -0.074 40.670 40.800 -0.094 0.000 1.390 318 D HN 0.336 nan 8.370 nan 0.000 0.518 319 N N -0.379 118.260 118.700 -0.102 0.000 2.623 319 N HA 0.349 5.091 4.740 0.003 0.000 0.256 319 N C 0.545 176.091 175.510 0.059 0.000 1.045 319 N CA 0.170 53.250 53.050 0.050 0.000 0.863 319 N CB 1.894 40.415 38.487 0.056 0.000 1.182 319 N HN 0.431 nan 8.380 nan 0.000 0.523 320 G N 0.584 109.496 108.800 0.187 0.000 2.257 320 G HA2 -0.346 3.616 3.960 0.003 0.000 0.267 320 G HA3 -0.346 3.616 3.960 0.003 0.000 0.267 320 G C 0.373 175.319 174.900 0.077 0.000 0.984 320 G CA 0.776 45.996 45.100 0.200 0.000 0.626 320 G HN 0.548 nan 8.290 nan 0.000 0.540 321 V N -1.117 118.751 119.914 -0.076 0.000 2.740 321 V HA 0.654 4.776 4.120 0.003 0.000 0.303 321 V C 0.557 176.555 176.094 -0.159 0.000 1.054 321 V CA -0.519 61.720 62.300 -0.101 0.000 1.106 321 V CB 1.672 33.433 31.823 -0.103 0.000 0.957 321 V HN 0.704 nan 8.190 nan 0.000 0.486 322 V N 4.955 124.861 119.914 -0.014 0.000 2.668 322 V HA 0.373 4.495 4.120 0.003 0.000 0.304 322 V C -0.581 175.571 176.094 0.097 0.000 1.071 322 V CA -0.401 61.930 62.300 0.052 0.000 0.894 322 V CB 1.579 33.464 31.823 0.104 0.000 1.008 322 V HN 0.851 nan 8.190 nan 0.000 0.425 323 F N 5.274 125.212 119.950 -0.021 0.000 2.412 323 F HA 0.628 5.157 4.527 0.003 0.000 0.348 323 F C -0.014 175.797 175.800 0.019 0.000 1.102 323 F CA -0.283 57.714 58.000 -0.004 0.000 1.196 323 F CB 1.327 40.299 39.000 -0.047 0.000 1.144 323 F HN 0.238 nan 8.300 nan 0.000 0.541 324 V N 6.483 125.794 119.914 -1.006 0.000 2.289 324 V HA 0.363 4.485 4.120 0.003 0.000 0.272 324 V C 0.354 175.920 176.094 -0.880 0.000 1.026 324 V CA -0.615 61.283 62.300 -0.670 0.000 0.807 324 V CB 0.852 32.487 31.823 -0.315 0.000 1.044 324 V HN 1.007 nan 8.190 nan 0.000 0.443 325 G N 2.670 111.050 108.800 -0.699 0.000 2.358 325 G HA2 0.429 4.392 3.960 0.003 0.000 0.273 325 G HA3 0.429 4.392 3.960 0.003 0.000 0.273 325 G C -0.089 174.718 174.900 -0.154 0.000 1.215 325 G CA 0.049 44.954 45.100 -0.326 0.000 0.910 325 G HN 0.620 nan 8.290 nan 0.000 0.467 326 S N 1.154 116.791 115.700 -0.105 0.000 2.526 326 S HA 0.514 4.986 4.470 0.003 0.000 0.293 326 S C 1.118 175.700 174.600 -0.030 0.000 1.092 326 S CA -0.907 57.257 58.200 -0.060 0.000 0.980 326 S CB 1.249 64.413 63.200 -0.061 0.000 1.048 326 S HN 0.705 nan 8.310 nan 0.000 0.483 327 R N 3.320 123.806 120.500 -0.023 0.000 2.221 327 R HA 0.373 4.715 4.340 0.003 0.000 0.195 327 R C 1.554 177.836 176.300 -0.029 0.000 0.956 327 R CA 0.068 56.152 56.100 -0.026 0.000 1.064 327 R CB -0.379 29.903 30.300 -0.031 0.000 1.049 327 R HN 0.493 nan 8.270 nan 0.000 0.534 328 L N 1.126 122.340 121.223 -0.015 0.000 2.362 328 L HA 0.120 4.462 4.340 0.003 0.000 0.219 328 L C 0.986 177.835 176.870 -0.035 0.000 1.134 328 L CA 0.810 55.638 54.840 -0.020 0.000 0.807 328 L CB -0.231 41.856 42.059 0.047 0.000 0.927 328 L HN 0.380 nan 8.230 nan 0.000 0.447 329 G N -1.879 106.903 108.800 -0.029 0.000 2.815 329 G HA2 0.240 4.202 3.960 0.003 0.000 0.305 329 G HA3 0.240 4.202 3.960 0.003 0.000 0.305 329 G C -1.635 173.246 174.900 -0.032 0.000 1.277 329 G CA -0.578 44.498 45.100 -0.040 0.000 0.795 329 G HN -0.190 nan 8.290 nan 0.000 0.528 330 D N 0.932 121.312 120.400 -0.034 0.000 2.390 330 D HA 0.421 5.063 4.640 0.003 0.000 0.249 330 D C 0.470 176.774 176.300 0.006 0.000 1.144 330 D CA 0.474 54.470 54.000 -0.007 0.000 0.880 330 D CB 1.421 42.206 40.800 -0.025 0.000 1.182 330 D HN 0.132 nan 8.370 nan 0.000 0.451 331 S N 1.269 117.013 115.700 0.074 0.000 2.576 331 S HA 0.283 4.755 4.470 0.003 0.000 0.276 331 S C 0.136 174.870 174.600 0.224 0.000 1.339 331 S CA -0.567 57.669 58.200 0.060 0.000 1.039 331 S CB 0.721 63.977 63.200 0.093 0.000 0.902 331 S HN 0.471 nan 8.310 nan 0.000 0.516 332 Q N 1.438 121.255 119.800 0.028 0.000 2.511 332 Q HA 0.615 4.958 4.340 0.003 0.000 0.289 332 Q C -1.970 174.081 176.000 0.085 0.000 1.021 332 Q CA -1.053 54.761 55.803 0.019 0.000 0.785 332 Q CB 0.830 29.505 28.738 -0.106 0.000 1.472 332 Q HN 0.401 nan 8.270 nan 0.000 0.411 333 L N 1.600 122.859 121.223 0.061 0.000 2.295 333 L HA 0.673 5.015 4.340 0.003 0.000 0.285 333 L C -1.143 175.733 176.870 0.010 0.000 1.035 333 L CA -0.684 54.230 54.840 0.124 0.000 0.806 333 L CB 1.703 43.847 42.059 0.142 0.000 1.214 333 L HN 0.662 nan 8.230 nan 0.000 0.426 334 V N 4.063 123.990 119.914 0.022 0.000 2.841 334 V HA 0.543 4.665 4.120 0.003 0.000 0.310 334 V C -0.810 175.295 176.094 0.019 0.000 1.090 334 V CA -0.929 61.372 62.300 0.003 0.000 0.930 334 V CB 2.540 34.358 31.823 -0.009 0.000 1.014 334 V HN 0.735 nan 8.190 nan 0.000 0.425 335 K N 4.453 124.865 120.400 0.020 0.000 2.358 335 K HA 0.666 4.988 4.320 0.003 0.000 0.260 335 K C -1.304 175.332 176.600 0.060 0.000 0.956 335 K CA -0.296 56.013 56.287 0.037 0.000 0.834 335 K CB 1.165 33.680 32.500 0.025 0.000 1.102 335 K HN 0.583 nan 8.250 nan 0.000 0.431 336 L N 4.098 125.375 121.223 0.090 0.000 2.326 336 L HA 0.444 4.786 4.340 0.003 0.000 0.278 336 L C -0.307 176.629 176.870 0.110 0.000 1.092 336 L CA -0.628 54.279 54.840 0.112 0.000 0.810 336 L CB 1.218 43.351 42.059 0.123 0.000 1.153 336 L HN 0.736 nan 8.230 nan 0.000 0.439 337 N N 0.185 118.967 118.700 0.137 0.000 2.265 337 N HA 0.312 5.054 4.740 0.003 0.000 0.300 337 N C 0.746 176.363 175.510 0.178 0.000 1.148 337 N CA -0.888 52.239 53.050 0.129 0.000 0.772 337 N CB 2.262 40.814 38.487 0.108 0.000 1.434 337 N HN 0.232 nan 8.380 nan 0.000 0.481 338 V N -0.811 119.176 119.914 0.123 0.000 2.453 338 V HA -0.199 3.923 4.120 0.003 0.000 0.252 338 V C 0.128 176.375 176.094 0.255 0.000 1.068 338 V CA 1.691 64.056 62.300 0.110 0.000 1.070 338 V CB -0.715 31.149 31.823 0.068 0.000 0.664 338 V HN 0.664 nan 8.190 nan 0.000 0.461 339 D N -0.483 120.083 120.400 0.277 0.000 2.392 339 D HA 0.524 5.166 4.640 0.003 0.000 0.246 339 D C -0.024 176.285 176.300 0.014 0.000 1.013 339 D CA -0.147 54.007 54.000 0.256 0.000 0.993 339 D CB 1.584 42.437 40.800 0.089 0.000 1.219 339 D HN 0.319 nan 8.370 nan 0.000 0.538 340 S N 0.332 115.787 115.700 -0.408 0.000 2.498 340 S HA 0.413 4.885 4.470 0.003 0.000 0.324 340 S C 0.146 174.550 174.600 -0.327 0.000 1.071 340 S CA -1.007 56.735 58.200 -0.762 0.000 1.113 340 S CB 0.440 62.845 63.200 -1.325 0.000 0.976 340 S HN 0.411 nan 8.310 nan 0.000 0.462 341 N N 1.713 120.283 118.700 -0.217 0.000 2.290 341 N HA 0.033 4.775 4.740 0.003 0.000 0.269 341 N C -0.079 175.358 175.510 -0.122 0.000 1.295 341 N CA -0.508 52.466 53.050 -0.127 0.000 0.932 341 N CB -0.265 38.172 38.487 -0.083 0.000 1.128 341 N HN 0.736 nan 8.380 nan 0.000 0.532 342 E N -1.156 118.994 120.200 -0.083 0.000 3.131 342 E HA -0.290 4.062 4.350 0.003 0.000 0.258 342 E C 0.274 176.825 176.600 -0.081 0.000 0.901 342 E CA 0.655 57.013 56.400 -0.070 0.000 0.964 342 E CB -0.060 29.609 29.700 -0.052 0.000 0.903 342 E HN 0.835 nan 8.360 nan 0.000 0.537 343 Q N 2.162 121.915 119.800 -0.078 0.000 5.729 343 Q HA -0.181 4.162 4.340 0.003 0.000 0.277 343 Q C 0.803 176.744 176.000 -0.098 0.000 0.982 343 Q CA 1.985 57.742 55.803 -0.076 0.000 0.819 343 Q CB -1.738 26.956 28.738 -0.072 0.000 0.574 343 Q HN 1.536 nan 8.270 nan 0.000 1.031 344 G N 0.479 109.188 108.800 -0.152 0.000 2.142 344 G HA2 -0.253 3.709 3.960 0.003 0.000 0.225 344 G HA3 -0.253 3.709 3.960 0.003 0.000 0.225 344 G C -0.299 174.416 174.900 -0.308 0.000 1.015 344 G CA 0.794 45.757 45.100 -0.229 0.000 0.716 344 G HN 0.777 nan 8.290 nan 0.000 0.508 345 S N -0.545 114.997 115.700 -0.263 0.000 2.429 345 S HA 0.620 5.092 4.470 0.003 0.000 0.302 345 S C 0.974 175.435 174.600 -0.230 0.000 1.115 345 S CA -0.581 57.507 58.200 -0.186 0.000 1.095 345 S CB 0.467 63.611 63.200 -0.093 0.000 0.987 345 S HN 0.313 nan 8.310 nan 0.000 0.474 346 Y N 3.343 123.630 120.300 -0.022 0.000 2.477 346 Y HA 0.241 4.793 4.550 0.003 0.000 0.303 346 Y C 0.503 176.396 175.900 -0.012 0.000 1.202 346 Y CA -0.173 57.920 58.100 -0.012 0.000 1.282 346 Y CB 0.121 38.577 38.460 -0.005 0.000 1.071 346 Y HN 0.339 nan 8.280 nan 0.000 0.510 347 V N 0.622 120.580 119.914 0.074 0.000 2.483 347 V HA 0.468 4.590 4.120 0.003 0.000 0.295 347 V C -0.311 175.786 176.094 0.006 0.000 1.035 347 V CA -1.013 61.310 62.300 0.039 0.000 0.896 347 V CB 1.999 33.828 31.823 0.010 0.000 0.986 347 V HN -0.180 nan 8.190 nan 0.000 0.447 348 V N 3.465 123.383 119.914 0.007 0.000 2.567 348 V HA 0.611 4.733 4.120 0.003 0.000 0.298 348 V C 0.250 176.334 176.094 -0.017 0.000 1.047 348 V CA -0.723 61.572 62.300 -0.008 0.000 0.880 348 V CB 1.814 33.636 31.823 -0.002 0.000 1.009 348 V HN 1.029 nan 8.190 nan 0.000 0.429 349 A N 5.265 128.066 122.820 -0.032 0.000 2.477 349 A HA 0.574 4.896 4.320 0.003 0.000 0.246 349 A C 0.711 178.262 177.584 -0.054 0.000 1.078 349 A CA 0.216 52.223 52.037 -0.050 0.000 0.770 349 A CB 0.394 19.355 19.000 -0.064 0.000 1.011 349 A HN 0.913 nan 8.150 nan 0.000 0.494 350 M N 0.484 120.046 119.600 -0.064 0.000 2.800 350 M HA 0.230 4.712 4.480 0.003 0.000 0.257 350 M C 0.777 177.004 176.300 -0.123 0.000 1.309 350 M CA 1.015 56.275 55.300 -0.067 0.000 1.202 350 M CB 0.426 33.003 32.600 -0.039 0.000 1.273 350 M HN 0.805 nan 8.290 nan 0.000 0.528 351 E N -0.905 119.176 120.200 -0.198 0.000 2.413 351 E HA 0.401 4.753 4.350 0.003 0.000 0.277 351 E C -1.408 174.835 176.600 -0.596 0.000 0.958 351 E CA -0.345 55.819 56.400 -0.394 0.000 0.779 351 E CB 2.825 32.249 29.700 -0.460 0.000 1.278 351 E HN -0.162 nan 8.360 nan 0.000 0.456 352 T N 2.017 116.125 114.554 -0.743 0.000 2.937 352 T HA 0.485 4.838 4.350 0.003 0.000 0.297 352 T C -1.430 172.912 174.700 -0.596 0.000 0.991 352 T CA -0.507 61.266 62.100 -0.545 0.000 0.990 352 T CB 0.093 68.803 68.868 -0.262 0.000 0.991 352 T HN 0.216 nan 8.240 nan 0.000 0.440 353 F N 1.768 121.705 119.950 -0.021 0.000 2.480 353 F HA 0.500 5.029 4.527 0.003 0.000 0.329 353 F C 1.158 176.940 175.800 -0.029 0.000 1.091 353 F CA -1.220 56.773 58.000 -0.012 0.000 0.972 353 F CB 1.077 40.090 39.000 0.022 0.000 1.150 353 F HN 0.369 nan 8.300 nan 0.000 0.467 354 T N -0.253 114.381 114.554 0.132 0.000 2.814 354 T HA 0.246 4.598 4.350 0.003 0.000 0.297 354 T C -0.456 174.267 174.700 0.037 0.000 0.956 354 T CA -0.643 61.476 62.100 0.032 0.000 1.123 354 T CB 0.573 69.429 68.868 -0.020 0.000 0.902 354 T HN 0.501 nan 8.240 nan 0.000 0.528 355 N N 3.015 121.719 118.700 0.007 0.000 2.483 355 N HA 0.254 4.996 4.740 0.003 0.000 0.267 355 N C 0.656 176.140 175.510 -0.043 0.000 0.998 355 N CA -1.104 51.942 53.050 -0.008 0.000 0.918 355 N CB 0.810 39.295 38.487 -0.002 0.000 1.215 355 N HN 0.632 nan 8.380 nan 0.000 0.500 356 L N 2.372 123.565 121.223 -0.050 0.000 2.633 356 L HA 0.164 4.506 4.340 0.003 0.000 0.235 356 L C 1.649 178.481 176.870 -0.064 0.000 1.163 356 L CA 0.469 55.268 54.840 -0.069 0.000 0.859 356 L CB -1.292 40.725 42.059 -0.069 0.000 0.973 356 L HN 0.786 nan 8.230 nan 0.000 0.451 357 G N 0.796 109.566 108.800 -0.051 0.000 2.582 357 G HA2 -0.294 3.668 3.960 0.003 0.000 0.288 357 G HA3 -0.294 3.668 3.960 0.003 0.000 0.288 357 G C -2.408 172.458 174.900 -0.056 0.000 1.247 357 G CA -0.332 44.736 45.100 -0.054 0.000 0.972 357 G HN 0.225 nan 8.290 nan 0.000 0.557 358 P HA 0.406 nan 4.420 nan 0.000 0.274 358 P C 0.096 177.357 177.300 -0.066 0.000 1.291 358 P CA -0.058 63.001 63.100 -0.067 0.000 0.815 358 P CB 0.056 31.700 31.700 -0.093 0.000 0.897 359 I N 3.750 124.292 120.570 -0.046 0.000 2.452 359 I HA 0.025 4.197 4.170 0.003 0.000 0.287 359 I C 1.410 177.508 176.117 -0.032 0.000 1.079 359 I CA 0.075 61.345 61.300 -0.050 0.000 1.387 359 I CB 1.032 39.006 38.000 -0.043 0.000 1.404 359 I HN 0.169 nan 8.210 nan 0.000 0.522 360 V N 4.504 124.392 119.914 -0.042 0.000 3.090 360 V HA 0.158 4.280 4.120 0.003 0.000 0.237 360 V C 0.085 176.174 176.094 -0.007 0.000 1.209 360 V CA 0.911 63.197 62.300 -0.023 0.000 1.209 360 V CB 0.697 32.488 31.823 -0.053 0.000 0.971 360 V HN 0.781 nan 8.190 nan 0.000 0.477 361 D N -0.556 119.829 120.400 -0.026 0.000 2.570 361 D HA 0.622 5.264 4.640 0.003 0.000 0.244 361 D C -0.833 175.445 176.300 -0.037 0.000 1.178 361 D CA -0.429 53.562 54.000 -0.014 0.000 0.881 361 D CB 2.124 42.924 40.800 -0.001 0.000 1.453 361 D HN 0.204 nan 8.370 nan 0.000 0.447 362 M N -0.135 119.451 119.600 -0.023 0.000 2.732 362 M HA 0.637 5.119 4.480 0.003 0.000 0.272 362 M C -1.564 174.732 176.300 -0.007 0.000 1.203 362 M CA -0.824 54.450 55.300 -0.042 0.000 0.841 362 M CB 1.947 34.516 32.600 -0.052 0.000 1.685 362 M HN 0.594 nan 8.290 nan 0.000 0.492 363 C N -0.065 119.223 119.300 -0.019 0.000 3.241 363 C HA 0.939 5.401 4.460 0.003 0.000 0.312 363 C C -0.887 174.124 174.990 0.035 0.000 1.350 363 C CA -0.721 58.324 59.018 0.044 0.000 1.415 363 C CB 1.553 29.361 27.740 0.114 0.000 1.770 363 C HN 0.848 nan 8.230 nan 0.000 0.466 364 V N 1.749 121.705 119.914 0.070 0.000 2.435 364 V HA 0.766 4.888 4.120 0.003 0.000 0.290 364 V C -0.263 175.860 176.094 0.049 0.000 1.030 364 V CA -0.179 62.151 62.300 0.050 0.000 0.881 364 V CB 1.299 33.154 31.823 0.054 0.000 0.983 364 V HN 0.870 nan 8.190 nan 0.000 0.445 365 V N 3.590 123.505 119.914 0.000 0.000 2.733 365 V HA 0.419 4.541 4.120 0.003 0.000 0.306 365 V C -1.350 174.702 176.094 -0.071 0.000 1.084 365 V CA -0.903 61.337 62.300 -0.101 0.000 0.905 365 V CB 2.448 34.090 31.823 -0.302 0.000 1.010 365 V HN 1.001 nan 8.190 nan 0.000 0.424 366 D N 4.446 124.810 120.400 -0.060 0.000 2.485 366 D HA 0.342 4.984 4.640 0.003 0.000 0.221 366 D C 0.780 177.060 176.300 -0.033 0.000 1.112 366 D CA -0.446 53.543 54.000 -0.017 0.000 0.911 366 D CB 1.440 42.246 40.800 0.011 0.000 1.019 366 D HN 0.324 nan 8.370 nan 0.000 0.516 367 L N 0.585 121.785 121.223 -0.039 0.000 2.072 367 L HA -0.125 4.217 4.340 0.003 0.000 0.205 367 L C 1.532 178.410 176.870 0.014 0.000 1.079 367 L CA 1.159 55.958 54.840 -0.068 0.000 0.752 367 L CB 0.036 42.104 42.059 0.015 0.000 0.906 367 L HN 0.179 nan 8.230 nan 0.000 0.436 368 E N -0.276 119.957 120.200 0.056 0.000 2.435 368 E HA -0.029 4.323 4.350 0.003 0.000 0.195 368 E C 0.231 176.874 176.600 0.071 0.000 1.029 368 E CA -0.013 56.441 56.400 0.089 0.000 0.865 368 E CB 0.067 29.820 29.700 0.087 0.000 0.833 368 E HN 0.109 nan 8.360 nan 0.000 0.510 369 R N 0.341 120.871 120.500 0.051 0.000 3.193 369 R HA -0.245 4.097 4.340 0.003 0.000 0.265 369 R C -0.059 176.265 176.300 0.040 0.000 1.067 369 R CA 0.363 56.492 56.100 0.048 0.000 0.707 369 R CB -1.650 28.686 30.300 0.059 0.000 1.251 369 R HN 0.312 nan 8.270 nan 0.000 0.401 370 Q N -1.246 118.574 119.800 0.034 0.000 2.377 370 Q HA 0.290 4.633 4.340 0.003 0.000 0.193 370 Q C 1.432 177.445 176.000 0.022 0.000 0.986 370 Q CA 0.732 56.551 55.803 0.028 0.000 0.851 370 Q CB 0.526 29.280 28.738 0.026 0.000 0.986 370 Q HN 0.608 nan 8.270 nan 0.000 0.559 371 G N 0.371 109.183 108.800 0.020 0.000 3.578 371 G HA2 -0.104 3.858 3.960 0.003 0.000 0.220 371 G HA3 -0.104 3.858 3.960 0.003 0.000 0.220 371 G C -0.665 174.243 174.900 0.015 0.000 0.933 371 G CA -0.292 44.818 45.100 0.017 0.000 0.847 371 G HN 0.229 nan 8.290 nan 0.000 0.612 372 Q N 1.122 120.931 119.800 0.015 0.000 2.235 372 Q HA 0.661 5.003 4.340 0.003 0.000 0.250 372 Q C 0.459 176.470 176.000 0.018 0.000 0.909 372 Q CA -0.268 55.544 55.803 0.015 0.000 0.910 372 Q CB 1.351 30.096 28.738 0.012 0.000 1.223 372 Q HN 0.420 nan 8.270 nan 0.000 0.432 373 G N 2.331 111.142 108.800 0.019 0.000 2.415 373 G HA2 0.387 4.349 3.960 0.003 0.000 0.269 373 G HA3 0.387 4.349 3.960 0.003 0.000 0.269 373 G C -0.589 174.320 174.900 0.016 0.000 1.209 373 G CA -0.630 44.481 45.100 0.018 0.000 0.835 373 G HN 0.521 nan 8.290 nan 0.000 0.534 374 Q N -0.356 119.452 119.800 0.014 0.000 2.194 374 Q HA 0.610 4.952 4.340 0.003 0.000 0.245 374 Q C -1.131 174.868 176.000 -0.001 0.000 0.993 374 Q CA -0.804 55.007 55.803 0.013 0.000 0.930 374 Q CB 2.583 31.339 28.738 0.030 0.000 1.238 374 Q HN 0.386 nan 8.270 nan 0.000 0.486 375 L N 0.023 121.232 121.223 -0.023 0.000 2.422 375 L HA 0.506 4.848 4.340 0.003 0.000 0.264 375 L C -1.630 175.187 176.870 -0.089 0.000 0.984 375 L CA -0.677 54.136 54.840 -0.044 0.000 0.819 375 L CB 2.383 44.414 42.059 -0.047 0.000 1.330 375 L HN 0.343 nan 8.230 nan 0.000 0.410 376 V N 2.594 122.436 119.914 -0.121 0.000 2.443 376 V HA 0.624 4.747 4.120 0.003 0.000 0.293 376 V C -0.376 175.596 176.094 -0.203 0.000 1.021 376 V CA -0.299 61.873 62.300 -0.213 0.000 0.848 376 V CB 1.880 33.488 31.823 -0.359 0.000 0.998 376 V HN 0.855 nan 8.190 nan 0.000 0.424 377 T N 1.020 115.459 114.554 -0.190 0.000 2.863 377 T HA 0.503 4.855 4.350 0.003 0.000 0.285 377 T C -0.275 174.331 174.700 -0.156 0.000 1.009 377 T CA -0.617 61.394 62.100 -0.148 0.000 0.989 377 T CB 1.236 70.030 68.868 -0.124 0.000 1.004 377 T HN 0.563 nan 8.240 nan 0.000 0.455 378 C N 3.246 122.468 119.300 -0.130 0.000 2.499 378 C HA 0.746 5.208 4.460 0.003 0.000 0.386 378 C C 0.732 175.648 174.990 -0.122 0.000 1.293 378 C CA -0.425 58.516 59.018 -0.129 0.000 1.884 378 C CB -0.786 26.890 27.740 -0.108 0.000 2.509 378 C HN 0.979 nan 8.230 nan 0.000 0.566 379 S N 1.077 116.695 115.700 -0.137 0.000 2.595 379 S HA 0.914 5.386 4.470 0.003 0.000 0.281 379 S C 0.146 174.658 174.600 -0.146 0.000 1.117 379 S CA 0.463 58.585 58.200 -0.131 0.000 0.873 379 S CB 1.799 64.922 63.200 -0.127 0.000 1.108 379 S HN 1.685 nan 8.310 nan 0.000 0.477 380 G N 0.631 109.348 108.800 -0.139 0.000 2.782 380 G HA2 0.383 4.345 3.960 0.003 0.000 0.228 380 G HA3 0.383 4.345 3.960 0.003 0.000 0.228 380 G C -0.474 174.293 174.900 -0.223 0.000 1.372 380 G CA -0.259 44.751 45.100 -0.150 0.000 0.862 380 G HN 1.593 nan 8.290 nan 0.000 0.547 381 A N -1.152 121.503 122.820 -0.276 0.000 2.572 381 A HA 1.058 5.380 4.320 0.003 0.000 0.295 381 A C 0.312 177.622 177.584 -0.457 0.000 1.072 381 A CA 0.450 52.133 52.037 -0.589 0.000 0.691 381 A CB 0.608 19.111 19.000 -0.829 0.000 1.291 381 A HN 2.332 nan 8.150 nan 0.000 0.404 382 F N 0.108 120.026 119.950 -0.053 0.000 1.897 382 F HA -0.428 4.101 4.527 0.004 0.000 0.219 382 F C 2.365 178.147 175.800 -0.031 0.000 0.336 382 F CA 1.584 59.561 58.000 -0.038 0.000 0.735 382 F CB -0.668 38.318 39.000 -0.023 0.000 2.719 382 F HN 0.777 nan 8.300 nan 0.000 0.502 383 K N 0.858 121.398 120.400 0.233 0.000 2.209 383 K HA -0.153 4.169 4.320 0.003 0.000 0.204 383 K C 1.114 177.736 176.600 0.038 0.000 1.048 383 K CA 2.045 58.422 56.287 0.150 0.000 0.940 383 K CB -0.364 32.235 32.500 0.165 0.000 0.729 383 K HN 0.582 nan 8.250 nan 0.000 0.451 384 E N 1.444 121.654 120.200 0.017 0.000 2.418 384 E HA -0.001 4.351 4.350 0.003 0.000 0.197 384 E C 1.026 177.546 176.600 -0.133 0.000 1.026 384 E CA 0.618 56.983 56.400 -0.059 0.000 0.862 384 E CB -0.486 29.194 29.700 -0.033 0.000 0.799 384 E HN 0.485 nan 8.360 nan 0.000 0.518 385 G N 1.467 110.185 108.800 -0.137 0.000 2.568 385 G HA2 0.177 4.139 3.960 0.003 0.000 0.231 385 G HA3 0.177 4.139 3.960 0.003 0.000 0.231 385 G C 0.126 174.897 174.900 -0.216 0.000 1.261 385 G CA 0.693 45.687 45.100 -0.176 0.000 0.855 385 G HN 0.247 nan 8.290 nan 0.000 0.576 386 S N 0.150 115.734 115.700 -0.195 0.000 2.645 386 S HA 0.501 4.973 4.470 0.003 0.000 0.268 386 S C -1.165 173.327 174.600 -0.179 0.000 1.110 386 S CA -1.073 57.005 58.200 -0.203 0.000 0.823 386 S CB 0.734 63.807 63.200 -0.212 0.000 1.091 386 S HN 0.676 nan 8.310 nan 0.000 0.466 387 L N 1.212 122.322 121.223 -0.190 0.000 2.331 387 L HA 0.721 5.063 4.340 0.003 0.000 0.275 387 L C -0.099 176.620 176.870 -0.251 0.000 1.022 387 L CA -0.964 53.747 54.840 -0.216 0.000 0.812 387 L CB 1.553 43.473 42.059 -0.232 0.000 1.257 387 L HN 0.616 nan 8.230 nan 0.000 0.435 388 R N 2.989 123.341 120.500 -0.246 0.000 2.513 388 R HA 0.544 4.886 4.340 0.003 0.000 0.301 388 R C -1.248 174.896 176.300 -0.259 0.000 0.968 388 R CA -0.826 55.129 56.100 -0.242 0.000 0.872 388 R CB 2.243 32.432 30.300 -0.185 0.000 1.177 388 R HN 0.408 nan 8.270 nan 0.000 0.444 389 I N 4.416 124.812 120.570 -0.289 0.000 2.312 389 I HA 0.349 4.521 4.170 0.003 0.000 0.290 389 I C 0.271 176.287 176.117 -0.169 0.000 1.008 389 I CA -0.190 60.966 61.300 -0.240 0.000 1.226 389 I CB 1.061 38.882 38.000 -0.298 0.000 1.371 389 I HN 0.301 nan 8.210 nan 0.000 0.468 390 I N 6.052 126.552 120.570 -0.116 0.000 2.362 390 I HA 0.529 4.701 4.170 0.003 0.000 0.289 390 I C -0.186 175.913 176.117 -0.030 0.000 0.994 390 I CA -0.639 60.609 61.300 -0.086 0.000 1.158 390 I CB 1.382 39.334 38.000 -0.081 0.000 1.315 390 I HN 0.590 nan 8.210 nan 0.000 0.451 391 R N 4.780 125.283 120.500 0.005 0.000 2.532 391 R HA 0.329 4.671 4.340 0.003 0.000 0.297 391 R C -0.969 175.360 176.300 0.047 0.000 0.984 391 R CA -0.680 55.447 56.100 0.045 0.000 0.884 391 R CB 1.977 32.338 30.300 0.101 0.000 1.182 391 R HN 0.730 nan 8.270 nan 0.000 0.442 392 N N 1.166 119.881 118.700 0.026 0.000 2.479 392 N HA 0.330 5.072 4.740 0.003 0.000 0.257 392 N C -0.076 175.441 175.510 0.011 0.000 1.232 392 N CA 1.940 54.998 53.050 0.013 0.000 0.920 392 N CB 0.676 39.163 38.487 -0.000 0.000 1.105 392 N HN 0.840 nan 8.380 nan 0.000 0.444 393 G N 1.078 109.877 108.800 -0.001 0.000 2.796 393 G HA2 -0.175 3.787 3.960 0.003 0.000 0.571 393 G HA3 -0.175 3.787 3.960 0.003 0.000 0.571 393 G C -0.896 173.998 174.900 -0.010 0.000 1.370 393 G CA -0.356 44.732 45.100 -0.020 0.000 0.856 393 G HN 0.616 nan 8.290 nan 0.000 0.538 394 I N 1.539 122.086 120.570 -0.040 0.000 2.382 394 I HA 0.612 4.784 4.170 0.003 0.000 0.285 394 I C 1.013 177.079 176.117 -0.084 0.000 1.007 394 I CA -0.064 61.207 61.300 -0.047 0.000 1.142 394 I CB 1.543 39.534 38.000 -0.016 0.000 1.289 394 I HN 0.871 nan 8.210 nan 0.000 0.453 395 G N 6.585 115.331 108.800 -0.090 0.000 2.491 395 G HA2 0.778 4.740 3.960 0.003 0.000 0.327 395 G HA3 0.778 4.740 3.960 0.003 0.000 0.327 395 G C -0.878 173.919 174.900 -0.173 0.000 1.189 395 G CA -0.432 44.612 45.100 -0.094 0.000 0.956 395 G HN 0.526 nan 8.290 nan 0.000 0.491 396 I N -1.266 119.199 120.570 -0.174 0.000 2.769 396 I HA 0.445 4.618 4.170 0.003 0.000 0.298 396 I C -1.404 174.596 176.117 -0.195 0.000 1.128 396 I CA -1.044 60.078 61.300 -0.296 0.000 1.031 396 I CB 2.033 39.918 38.000 -0.192 0.000 1.235 396 I HN 0.490 nan 8.210 nan 0.000 0.423 397 H N 5.310 124.404 119.070 0.040 0.000 2.782 397 H HA 0.278 4.836 4.556 0.003 0.000 0.285 397 H C -0.318 175.125 175.328 0.192 0.000 1.093 397 H CA -0.501 55.618 56.048 0.119 0.000 1.410 397 H CB 0.295 30.170 29.762 0.189 0.000 1.439 397 H HN 0.549 nan 8.280 nan 0.000 0.469 398 E N 3.704 124.064 120.200 0.267 0.000 1.941 398 E HA 0.088 4.440 4.350 0.003 0.000 0.275 398 E C -0.083 176.684 176.600 0.277 0.000 1.113 398 E CA -0.331 56.185 56.400 0.194 0.000 0.878 398 E CB 0.220 29.975 29.700 0.093 0.000 1.070 398 E HN 0.652 nan 8.360 nan 0.000 0.399 399 H N 2.652 121.762 119.070 0.067 0.000 2.268 399 H HA 0.049 4.607 4.556 0.003 0.000 0.304 399 H C 0.794 176.197 175.328 0.124 0.000 1.064 399 H CA 0.588 56.722 56.048 0.143 0.000 1.316 399 H CB 0.323 30.258 29.762 0.289 0.000 1.386 399 H HN 0.612 nan 8.280 nan 0.000 0.496 400 A N 0.102 123.004 122.820 0.136 0.000 2.352 400 A HA 0.553 4.875 4.320 0.003 0.000 0.299 400 A C -0.462 177.140 177.584 0.029 0.000 1.160 400 A CA -0.415 51.669 52.037 0.079 0.000 0.933 400 A CB 1.669 20.688 19.000 0.032 0.000 1.387 400 A HN 0.186 nan 8.150 nan 0.000 0.487 401 S N -0.467 115.249 115.700 0.027 0.000 2.357 401 S HA 0.437 4.909 4.470 0.003 0.000 0.209 401 S C -1.710 172.903 174.600 0.021 0.000 0.981 401 S CA -0.323 57.888 58.200 0.018 0.000 1.106 401 S CB -0.252 62.964 63.200 0.027 0.000 1.266 401 S HN 0.462 nan 8.310 nan 0.000 0.410 402 I N 3.356 123.935 120.570 0.015 0.000 2.405 402 I HA 0.324 4.496 4.170 0.003 0.000 0.280 402 I C -0.602 175.538 176.117 0.038 0.000 1.027 402 I CA -0.452 60.866 61.300 0.029 0.000 1.161 402 I CB 1.367 39.385 38.000 0.029 0.000 1.300 402 I HN 0.340 nan 8.210 nan 0.000 0.463 403 D N 7.897 128.321 120.400 0.041 0.000 2.349 403 D HA 0.235 4.878 4.640 0.003 0.000 0.266 403 D C -0.262 176.083 176.300 0.076 0.000 1.293 403 D CA 0.491 54.518 54.000 0.044 0.000 0.926 403 D CB 0.645 41.467 40.800 0.037 0.000 1.090 403 D HN 0.350 nan 8.370 nan 0.000 0.502 404 L N 4.716 125.991 121.223 0.086 0.000 2.433 404 L HA 0.279 4.621 4.340 0.003 0.000 0.256 404 L C -2.248 174.650 176.870 0.048 0.000 1.063 404 L CA -1.833 53.106 54.840 0.165 0.000 0.922 404 L CB 1.832 44.064 42.059 0.288 0.000 1.238 404 L HN -0.036 nan 8.230 nan 0.000 0.466 405 P HA 0.103 nan 4.420 nan 0.000 0.245 405 P C 0.717 177.916 177.300 -0.169 0.000 1.670 405 P CA 0.438 63.515 63.100 -0.038 0.000 1.146 405 P CB 0.546 32.254 31.700 0.012 0.000 1.954 406 G N 1.283 109.856 108.800 -0.378 0.000 4.328 406 G HA2 -0.055 3.907 3.960 0.003 0.000 0.133 406 G HA3 -0.055 3.907 3.960 0.003 0.000 0.133 406 G C -0.161 174.344 174.900 -0.659 0.000 1.397 406 G CA -0.506 44.184 45.100 -0.684 0.000 1.001 406 G HN 0.288 nan 8.290 nan 0.000 0.325 407 I N 2.475 122.482 120.570 -0.939 0.000 2.770 407 I HA -0.195 3.977 4.170 0.003 0.000 0.144 407 I C 0.559 176.520 176.117 -0.260 0.000 0.891 407 I CA 0.666 61.716 61.300 -0.417 0.000 2.752 407 I CB 0.022 37.954 38.000 -0.114 0.000 0.585 407 I HN 0.152 nan 8.210 nan 0.000 0.353 408 K N 5.086 125.298 120.400 -0.314 0.000 2.440 408 K HA 0.418 4.740 4.320 0.003 0.000 0.206 408 K C 0.536 176.553 176.600 -0.971 0.000 1.025 408 K CA 0.220 56.230 56.287 -0.462 0.000 1.135 408 K CB 1.167 33.587 32.500 -0.133 0.000 0.856 408 K HN 0.884 nan 8.250 nan 0.000 0.502 409 G N 0.898 109.153 108.800 -0.908 0.000 2.338 409 G HA2 0.448 4.410 3.960 0.003 0.000 0.295 409 G HA3 0.448 4.410 3.960 0.003 0.000 0.295 409 G C -2.163 172.339 174.900 -0.663 0.000 1.461 409 G CA -0.949 43.553 45.100 -0.998 0.000 0.817 409 G HN 0.064 nan 8.290 nan 0.000 0.556 410 L N -3.476 117.157 121.223 -0.982 0.000 2.591 410 L HA 0.863 5.205 4.340 0.003 0.000 0.257 410 L C -1.243 175.155 176.870 -0.787 0.000 0.935 410 L CA -1.076 53.430 54.840 -0.557 0.000 0.873 410 L CB 1.468 43.379 42.059 -0.246 0.000 1.397 410 L HN 0.725 nan 8.230 nan 0.000 0.414 411 W N 0.267 121.450 121.300 -0.195 0.000 2.962 411 W HA 0.604 5.266 4.660 0.004 0.000 0.341 411 W C -2.557 173.843 176.519 -0.197 0.000 1.155 411 W CA -1.649 55.557 57.345 -0.233 0.000 1.165 411 W CB 2.184 31.461 29.460 -0.305 0.000 1.435 411 W HN 0.253 nan 8.180 nan 0.000 0.546 412 P HA 0.257 nan 4.420 nan 0.000 0.286 412 P C -0.948 176.334 177.300 -0.029 0.000 1.293 412 P CA -0.112 62.834 63.100 -0.258 0.000 0.770 412 P CB 0.579 31.776 31.700 -0.838 0.000 1.206 413 L N -0.348 120.947 121.223 0.120 0.000 3.390 413 L HA 0.191 4.533 4.340 0.003 0.000 0.223 413 L C -0.831 176.270 176.870 0.385 0.000 0.985 413 L CA -0.276 54.756 54.840 0.320 0.000 1.289 413 L CB 0.012 42.199 42.059 0.212 0.000 1.682 413 L HN 0.252 nan 8.230 nan 0.000 0.675 414 R N 1.199 121.959 120.500 0.434 0.000 2.446 414 R HA 0.297 4.640 4.340 0.003 0.000 0.314 414 R C 0.740 177.098 176.300 0.097 0.000 1.003 414 R CA 0.613 56.788 56.100 0.124 0.000 1.018 414 R CB 0.632 30.870 30.300 -0.103 0.000 0.945 414 R HN 0.512 nan 8.270 nan 0.000 0.419 415 S N 1.299 117.042 115.700 0.072 0.000 2.603 415 S HA -0.041 4.431 4.470 0.003 0.000 0.220 415 S C -0.421 174.187 174.600 0.014 0.000 0.967 415 S CA 0.056 58.280 58.200 0.040 0.000 0.920 415 S CB -0.102 63.119 63.200 0.035 0.000 0.773 415 S HN 0.726 nan 8.310 nan 0.000 0.529 416 D N 0.062 120.465 120.400 0.005 0.000 2.593 416 D HA 0.427 5.069 4.640 0.003 0.000 0.251 416 D C -2.058 174.231 176.300 -0.018 0.000 1.140 416 D CA -2.090 51.905 54.000 -0.009 0.000 0.855 416 D CB 1.851 42.643 40.800 -0.014 0.000 1.267 416 D HN -0.147 nan 8.370 nan 0.000 0.532 417 P HA -0.124 nan 4.420 nan 0.000 0.224 417 P C 0.396 177.682 177.300 -0.023 0.000 1.142 417 P CA 1.059 64.154 63.100 -0.009 0.000 0.778 417 P CB 0.168 31.866 31.700 -0.003 0.000 0.764 418 N N -0.319 118.361 118.700 -0.033 0.000 2.523 418 N HA 0.005 4.747 4.740 0.003 0.000 0.209 418 N C 0.548 176.021 175.510 -0.061 0.000 1.039 418 N CA -0.176 52.852 53.050 -0.038 0.000 1.002 418 N CB -0.507 37.964 38.487 -0.027 0.000 1.270 418 N HN 0.041 nan 8.380 nan 0.000 0.481 419 R N 1.600 122.059 120.500 -0.069 0.000 2.638 419 R HA 0.055 4.397 4.340 0.003 0.000 0.268 419 R C 0.343 176.542 176.300 -0.167 0.000 1.006 419 R CA -0.020 56.026 56.100 -0.091 0.000 1.088 419 R CB 0.449 30.705 30.300 -0.073 0.000 0.950 419 R HN 0.231 nan 8.270 nan 0.000 0.419 420 E N 1.026 121.131 120.200 -0.158 0.000 2.333 420 E HA -0.094 4.258 4.350 0.003 0.000 0.198 420 E C 0.491 176.822 176.600 -0.448 0.000 1.007 420 E CA 1.325 57.583 56.400 -0.237 0.000 0.845 420 E CB -0.268 29.374 29.700 -0.096 0.000 0.766 420 E HN 0.804 nan 8.360 nan 0.000 0.507 421 T N -0.523 113.859 114.554 -0.286 0.000 2.851 421 T HA 0.269 4.621 4.350 0.003 0.000 0.298 421 T C -0.167 174.365 174.700 -0.279 0.000 0.977 421 T CA -0.568 61.410 62.100 -0.203 0.000 1.126 421 T CB 0.202 69.051 68.868 -0.032 0.000 0.916 421 T HN -0.134 nan 8.240 nan 0.000 0.529 422 Y N 2.001 122.337 120.300 0.061 0.000 2.360 422 Y HA 0.386 4.938 4.550 0.003 0.000 0.337 422 Y C 0.992 176.935 175.900 0.070 0.000 1.039 422 Y CA -1.480 56.658 58.100 0.064 0.000 1.109 422 Y CB 1.304 39.805 38.460 0.068 0.000 1.201 422 Y HN 0.778 nan 8.280 nan 0.000 0.458 423 D N -0.413 120.104 120.400 0.195 0.000 2.462 423 D HA 0.126 4.768 4.640 0.003 0.000 0.221 423 D C -0.552 175.830 176.300 0.136 0.000 1.173 423 D CA -0.093 53.995 54.000 0.148 0.000 0.831 423 D CB 0.135 40.992 40.800 0.096 0.000 1.001 423 D HN 0.461 nan 8.370 nan 0.000 0.499 424 T N 0.117 114.765 114.554 0.157 0.000 2.900 424 T HA 0.522 4.874 4.350 0.003 0.000 0.303 424 T C -1.048 173.720 174.700 0.113 0.000 1.142 424 T CA -0.736 61.439 62.100 0.126 0.000 1.007 424 T CB 2.311 71.255 68.868 0.126 0.000 1.156 424 T HN 0.027 nan 8.240 nan 0.000 0.490 425 L N 2.638 123.914 121.223 0.089 0.000 2.492 425 L HA 0.500 4.843 4.340 0.003 0.000 0.258 425 L C -0.991 175.939 176.870 0.100 0.000 1.028 425 L CA -0.509 54.375 54.840 0.074 0.000 0.900 425 L CB 0.991 43.064 42.059 0.023 0.000 1.191 425 L HN 0.565 nan 8.230 nan 0.000 0.459 426 V N 5.195 125.195 119.914 0.142 0.000 2.446 426 V HA 0.160 4.282 4.120 0.003 0.000 0.276 426 V C 0.034 176.251 176.094 0.205 0.000 1.030 426 V CA -0.294 62.097 62.300 0.150 0.000 1.033 426 V CB 0.399 32.309 31.823 0.146 0.000 0.993 426 V HN 0.567 nan 8.190 nan 0.000 0.477 427 L N 3.276 124.601 121.223 0.170 0.000 2.280 427 L HA 0.673 5.015 4.340 0.003 0.000 0.287 427 L C 0.263 177.280 176.870 0.245 0.000 1.023 427 L CA -0.132 54.824 54.840 0.194 0.000 0.819 427 L CB 1.245 43.411 42.059 0.178 0.000 1.212 427 L HN 0.403 nan 8.230 nan 0.000 0.420 428 S N 2.630 118.499 115.700 0.281 0.000 2.563 428 S HA 0.521 4.993 4.470 0.003 0.000 0.284 428 S C -0.547 174.188 174.600 0.227 0.000 1.331 428 S CA 0.285 58.626 58.200 0.235 0.000 1.047 428 S CB 0.034 63.391 63.200 0.261 0.000 0.859 428 S HN 0.540 nan 8.310 nan 0.000 0.514 429 F N 1.709 121.670 119.950 0.019 0.000 2.754 429 F HA 0.378 4.907 4.527 0.004 0.000 0.320 429 F C -0.044 175.775 175.800 0.032 0.000 1.156 429 F CA -1.043 56.965 58.000 0.013 0.000 0.950 429 F CB 1.191 40.197 39.000 0.012 0.000 1.388 429 F HN 0.281 nan 8.300 nan 0.000 0.485 430 V N 2.761 122.727 119.914 0.087 0.000 2.359 430 V HA 0.163 4.285 4.120 0.003 0.000 0.283 430 V C 0.943 177.131 176.094 0.157 0.000 1.732 430 V CA 1.266 63.620 62.300 0.090 0.000 1.675 430 V CB -1.760 30.096 31.823 0.057 0.000 1.395 430 V HN 1.185 nan 8.190 nan 0.000 0.465 431 G N 0.395 109.282 108.800 0.146 0.000 2.132 431 G HA2 -0.207 3.755 3.960 0.003 0.000 0.234 431 G HA3 -0.207 3.755 3.960 0.003 0.000 0.234 431 G C -0.083 174.866 174.900 0.082 0.000 0.989 431 G CA 0.373 45.533 45.100 0.101 0.000 0.676 431 G HN 0.589 nan 8.290 nan 0.000 0.522 432 Q N -1.502 118.372 119.800 0.125 0.000 3.093 432 Q HA 0.776 5.119 4.340 0.003 0.000 0.330 432 Q C -1.022 175.009 176.000 0.052 0.000 0.947 432 Q CA -0.593 55.245 55.803 0.058 0.000 0.801 432 Q CB 1.937 30.689 28.738 0.024 0.000 1.470 432 Q HN 0.206 nan 8.270 nan 0.000 0.498 433 T N 1.293 115.839 114.554 -0.013 0.000 3.355 433 T HA 0.354 4.707 4.350 0.003 0.000 0.324 433 T C -1.130 173.532 174.700 -0.063 0.000 0.932 433 T CA -0.740 61.352 62.100 -0.012 0.000 1.032 433 T CB 0.769 69.626 68.868 -0.018 0.000 1.027 433 T HN 0.222 nan 8.240 nan 0.000 0.456 434 R N 1.929 122.349 120.500 -0.134 0.000 2.404 434 R HA 0.692 5.034 4.340 0.003 0.000 0.291 434 R C -0.116 176.168 176.300 -0.027 0.000 1.025 434 R CA -0.530 55.494 56.100 -0.127 0.000 0.991 434 R CB 1.600 31.744 30.300 -0.261 0.000 1.053 434 R HN 0.398 nan 8.270 nan 0.000 0.479 435 V N 3.200 123.118 119.914 0.005 0.000 2.973 435 V HA 0.427 4.549 4.120 0.003 0.000 0.314 435 V C 0.567 176.683 176.094 0.037 0.000 1.066 435 V CA -0.778 61.553 62.300 0.052 0.000 1.021 435 V CB 1.628 33.497 31.823 0.076 0.000 1.076 435 V HN 0.556 nan 8.190 nan 0.000 0.462 436 L N 3.163 124.421 121.223 0.057 0.000 2.488 436 L HA 0.361 4.703 4.340 0.003 0.000 0.250 436 L C -0.311 176.597 176.870 0.064 0.000 1.280 436 L CA -0.167 54.704 54.840 0.051 0.000 0.929 436 L CB 0.944 43.031 42.059 0.047 0.000 1.200 436 L HN 0.566 nan 8.230 nan 0.000 0.495 437 M N 2.370 122.004 119.600 0.056 0.000 2.248 437 M HA 0.193 4.675 4.480 0.003 0.000 0.345 437 M C -0.406 175.933 176.300 0.066 0.000 1.243 437 M CA 0.540 55.875 55.300 0.058 0.000 1.090 437 M CB 0.794 33.419 32.600 0.041 0.000 1.683 437 M HN 0.318 nan 8.290 nan 0.000 0.450 438 L N 2.961 124.231 121.223 0.078 0.000 2.341 438 L HA 0.315 4.657 4.340 0.003 0.000 0.278 438 L C 0.925 177.836 176.870 0.069 0.000 1.005 438 L CA -0.212 54.682 54.840 0.091 0.000 0.818 438 L CB 1.464 43.603 42.059 0.134 0.000 1.259 438 L HN 0.658 nan 8.230 nan 0.000 0.418 439 N N 1.364 120.099 118.700 0.058 0.000 2.575 439 N HA 0.074 4.816 4.740 0.003 0.000 0.192 439 N C 0.876 176.404 175.510 0.030 0.000 1.200 439 N CA 0.885 53.958 53.050 0.038 0.000 0.897 439 N CB 0.291 38.797 38.487 0.030 0.000 0.990 439 N HN 0.909 nan 8.380 nan 0.000 0.449 440 G N 1.073 109.900 108.800 0.045 0.000 1.929 440 G HA2 -0.239 3.723 3.960 0.003 0.000 0.219 440 G HA3 -0.239 3.723 3.960 0.003 0.000 0.219 440 G C 0.108 175.012 174.900 0.007 0.000 2.200 440 G CA 0.047 45.159 45.100 0.020 0.000 1.552 440 G HN 0.433 nan 8.290 nan 0.000 0.498 441 E N 1.251 121.411 120.200 -0.066 0.000 2.501 441 E HA 0.475 4.827 4.350 0.003 0.000 0.200 441 E C 0.428 177.081 176.600 0.087 0.000 1.016 441 E CA 0.274 56.570 56.400 -0.173 0.000 0.921 441 E CB 0.792 30.253 29.700 -0.399 0.000 1.034 441 E HN 0.525 nan 8.360 nan 0.000 0.468 442 E N 1.077 121.337 120.200 0.099 0.000 2.171 442 E HA 0.317 4.669 4.350 0.003 0.000 0.271 442 E C -0.965 175.702 176.600 0.112 0.000 0.916 442 E CA -0.937 55.523 56.400 0.100 0.000 0.774 442 E CB 1.846 31.578 29.700 0.053 0.000 1.128 442 E HN 0.012 nan 8.360 nan 0.000 0.403 443 V N 4.164 124.141 119.914 0.105 0.000 2.530 443 V HA 0.249 4.371 4.120 0.003 0.000 0.282 443 V C 0.045 176.173 176.094 0.056 0.000 1.048 443 V CA 0.214 62.565 62.300 0.084 0.000 0.997 443 V CB 1.227 33.093 31.823 0.073 0.000 0.987 443 V HN 0.701 nan 8.190 nan 0.000 0.477 444 E N 3.744 123.973 120.200 0.048 0.000 2.343 444 E HA 0.314 4.666 4.350 0.003 0.000 0.286 444 E C -1.120 175.495 176.600 0.025 0.000 0.915 444 E CA -0.620 55.800 56.400 0.032 0.000 0.784 444 E CB 1.750 31.469 29.700 0.032 0.000 1.251 444 E HN 0.878 nan 8.360 nan 0.000 0.407 445 E N 3.032 123.238 120.200 0.010 0.000 2.035 445 E HA 0.359 4.711 4.350 0.003 0.000 0.271 445 E C -0.402 176.196 176.600 -0.003 0.000 0.953 445 E CA -0.618 55.780 56.400 -0.002 0.000 0.777 445 E CB 1.200 30.883 29.700 -0.028 0.000 1.104 445 E HN 0.420 nan 8.360 nan 0.000 0.408 446 T N 0.232 114.790 114.554 0.006 0.000 2.905 446 T HA 0.348 4.700 4.350 0.003 0.000 0.283 446 T C 0.323 175.027 174.700 0.008 0.000 1.031 446 T CA -1.077 61.026 62.100 0.004 0.000 1.002 446 T CB 1.082 69.954 68.868 0.007 0.000 1.200 446 T HN 0.562 nan 8.240 nan 0.000 0.560 447 E N 0.019 120.221 120.200 0.005 0.000 2.435 447 E HA 0.529 4.881 4.350 0.003 0.000 0.254 447 E C -0.999 175.607 176.600 0.010 0.000 1.289 447 E CA -0.899 55.506 56.400 0.010 0.000 0.983 447 E CB 0.283 29.984 29.700 0.002 0.000 1.010 447 E HN 0.424 nan 8.360 nan 0.000 0.509 448 L N 0.202 121.430 121.223 0.010 0.000 2.643 448 L HA 0.188 4.530 4.340 0.003 0.000 0.257 448 L C -1.119 175.707 176.870 -0.073 0.000 0.922 448 L CA -0.602 54.207 54.840 -0.051 0.000 0.909 448 L CB 2.114 44.134 42.059 -0.066 0.000 1.424 448 L HN 0.600 nan 8.230 nan 0.000 0.422 449 M N 2.677 122.196 119.600 -0.136 0.000 2.252 449 M HA 0.216 4.698 4.480 0.003 0.000 0.329 449 M C 1.516 177.751 176.300 -0.107 0.000 1.101 449 M CA 0.967 56.205 55.300 -0.104 0.000 1.117 449 M CB -0.743 31.791 32.600 -0.111 0.000 1.563 449 M HN 0.901 nan 8.290 nan 0.000 0.445 450 G N 1.825 110.635 108.800 0.018 0.000 2.244 450 G HA2 -0.264 3.698 3.960 0.003 0.000 0.274 450 G HA3 -0.264 3.698 3.960 0.003 0.000 0.274 450 G C -0.400 174.748 174.900 0.413 0.000 1.002 450 G CA 0.178 45.358 45.100 0.132 0.000 0.740 450 G HN 0.560 nan 8.290 nan 0.000 0.516 451 F N 0.123 120.067 119.950 -0.011 0.000 2.477 451 F HA 0.526 5.055 4.527 0.003 0.000 0.335 451 F C 0.666 176.452 175.800 -0.023 0.000 1.130 451 F CA -1.940 56.050 58.000 -0.018 0.000 0.948 451 F CB 1.713 40.705 39.000 -0.013 0.000 1.154 451 F HN 0.130 nan 8.300 nan 0.000 0.439 452 V N 1.304 121.266 119.914 0.080 0.000 2.924 452 V HA 0.244 4.366 4.120 0.003 0.000 0.305 452 V C 0.308 176.411 176.094 0.014 0.000 1.073 452 V CA -0.196 62.119 62.300 0.024 0.000 1.098 452 V CB 0.978 32.786 31.823 -0.025 0.000 1.000 452 V HN 0.815 nan 8.190 nan 0.000 0.484 453 D N -0.617 119.786 120.400 0.005 0.000 2.489 453 D HA 0.028 4.671 4.640 0.003 0.000 0.231 453 D C 0.825 177.113 176.300 -0.021 0.000 1.114 453 D CA 0.462 54.457 54.000 -0.008 0.000 0.842 453 D CB 0.156 40.955 40.800 -0.002 0.000 1.133 453 D HN 0.660 nan 8.370 nan 0.000 0.506 454 D N -0.446 119.944 120.400 -0.016 0.000 2.469 454 D HA 0.001 4.643 4.640 0.003 0.000 0.213 454 D C -0.010 176.277 176.300 -0.021 0.000 1.135 454 D CA 0.003 53.994 54.000 -0.014 0.000 0.834 454 D CB 0.197 40.992 40.800 -0.008 0.000 1.009 454 D HN 0.043 nan 8.370 nan 0.000 0.507 455 Q N 1.418 121.194 119.800 -0.040 0.000 2.309 455 Q HA 0.152 4.494 4.340 0.003 0.000 0.270 455 Q C -0.689 175.240 176.000 -0.118 0.000 1.023 455 Q CA -0.374 55.385 55.803 -0.073 0.000 0.758 455 Q CB 2.632 31.323 28.738 -0.078 0.000 1.247 455 Q HN 0.318 nan 8.270 nan 0.000 0.455 456 Q N 2.060 121.778 119.800 -0.138 0.000 2.264 456 Q HA 0.012 4.354 4.340 0.003 0.000 0.296 456 Q C -0.745 175.033 176.000 -0.371 0.000 1.103 456 Q CA 0.635 56.333 55.803 -0.176 0.000 0.967 456 Q CB 0.494 29.150 28.738 -0.136 0.000 1.090 456 Q HN 0.401 nan 8.270 nan 0.000 0.379 457 T N 5.120 119.547 114.554 -0.212 0.000 2.907 457 T HA 0.170 4.522 4.350 0.003 0.000 0.298 457 T C -0.104 174.552 174.700 -0.072 0.000 1.017 457 T CA -0.237 61.724 62.100 -0.233 0.000 1.118 457 T CB 0.296 69.057 68.868 -0.178 0.000 0.948 457 T HN 0.453 nan 8.240 nan 0.000 0.531 458 F N 1.689 121.612 119.950 -0.045 0.000 2.688 458 F HA 0.557 5.086 4.527 0.003 0.000 0.310 458 F C -0.084 175.688 175.800 -0.048 0.000 1.098 458 F CA -1.174 56.873 58.000 0.079 0.000 1.228 458 F CB -0.282 38.777 39.000 0.099 0.000 1.042 458 F HN 0.488 nan 8.300 nan 0.000 0.557 459 F N -2.409 117.078 119.950 -0.772 0.000 2.822 459 F HA 0.294 4.823 4.527 0.003 0.000 0.323 459 F C -0.413 174.611 175.800 -1.294 0.000 1.133 459 F CA -1.019 56.115 58.000 -1.444 0.000 0.941 459 F CB 0.572 39.228 39.000 -0.572 0.000 1.263 459 F HN -0.273 nan 8.300 nan 0.000 0.451 460 C N 2.159 120.726 119.300 -1.222 0.000 4.150 460 C HA 0.445 4.907 4.460 0.003 0.000 0.330 460 C C 1.335 176.231 174.990 -0.156 0.000 1.905 460 C CA -0.026 58.674 59.018 -0.529 0.000 1.724 460 C CB -0.279 27.219 27.740 -0.403 0.000 3.096 460 C HN 1.377 nan 8.230 nan 0.000 0.601 461 G N 1.858 110.625 108.800 -0.055 0.000 2.461 461 G HA2 -0.321 3.641 3.960 0.003 0.000 0.965 461 G HA3 -0.321 3.641 3.960 0.003 0.000 0.965 461 G C -0.073 174.943 174.900 0.192 0.000 1.389 461 G CA 1.005 46.322 45.100 0.361 0.000 0.877 461 G HN 0.683 nan 8.290 nan 0.000 0.524 462 N N -0.623 118.198 118.700 0.201 0.000 2.700 462 N HA 0.356 5.098 4.740 0.003 0.000 0.242 462 N C -0.300 175.294 175.510 0.140 0.000 1.541 462 N CA -0.211 52.942 53.050 0.173 0.000 0.764 462 N CB 1.280 39.885 38.487 0.196 0.000 1.319 462 N HN 0.687 nan 8.380 nan 0.000 0.518 463 V N -0.013 119.975 119.914 0.124 0.000 2.585 463 V HA 0.593 4.715 4.120 0.003 0.000 0.296 463 V C 0.993 177.160 176.094 0.122 0.000 1.035 463 V CA -0.529 61.831 62.300 0.099 0.000 1.084 463 V CB 0.499 32.361 31.823 0.064 0.000 0.953 463 V HN 0.303 nan 8.190 nan 0.000 0.483 464 A N 3.232 126.142 122.820 0.150 0.000 2.251 464 A HA 0.572 4.894 4.320 0.003 0.000 0.278 464 A C 0.718 178.489 177.584 0.311 0.000 1.206 464 A CA 0.251 52.388 52.037 0.167 0.000 0.822 464 A CB -0.567 18.485 19.000 0.086 0.000 1.187 464 A HN 1.785 nan 8.150 nan 0.000 0.504 465 H N -1.790 117.290 119.070 0.016 0.000 2.933 465 H HA -0.118 4.440 4.556 0.003 0.000 0.301 465 H C 0.009 175.351 175.328 0.023 0.000 1.280 465 H CA 0.906 56.966 56.048 0.020 0.000 1.155 465 H CB -2.620 27.154 29.762 0.019 0.000 1.379 465 H HN 0.741 nan 8.280 nan 0.000 0.419 466 Q N -1.364 118.491 119.800 0.092 0.000 2.460 466 Q HA -0.268 4.074 4.340 0.003 0.000 0.311 466 Q C -0.103 175.939 176.000 0.071 0.000 1.396 466 Q CA 1.425 57.267 55.803 0.065 0.000 0.838 466 Q CB -0.771 27.996 28.738 0.049 0.000 1.140 466 Q HN 0.881 nan 8.270 nan 0.000 0.415 467 Q N -0.851 119.001 119.800 0.086 0.000 2.511 467 Q HA 0.799 5.142 4.340 0.003 0.000 0.289 467 Q C -1.020 175.043 176.000 0.105 0.000 1.021 467 Q CA -1.178 54.673 55.803 0.079 0.000 0.785 467 Q CB 1.654 30.441 28.738 0.080 0.000 1.472 467 Q HN 0.199 nan 8.270 nan 0.000 0.411 468 L N 1.180 122.477 121.223 0.125 0.000 2.362 468 L HA 0.626 4.968 4.340 0.003 0.000 0.275 468 L C -0.371 176.751 176.870 0.421 0.000 0.998 468 L CA -1.023 53.965 54.840 0.246 0.000 0.820 468 L CB 1.708 43.894 42.059 0.211 0.000 1.270 468 L HN 0.610 nan 8.230 nan 0.000 0.415 469 I N 2.756 123.507 120.570 0.301 0.000 2.566 469 I HA 0.337 4.509 4.170 0.003 0.000 0.303 469 I C -0.829 175.157 176.117 -0.219 0.000 0.983 469 I CA -0.112 61.257 61.300 0.116 0.000 1.235 469 I CB 1.920 39.928 38.000 0.013 0.000 1.386 469 I HN 0.847 nan 8.210 nan 0.000 0.494 470 Q N 7.502 127.059 119.800 -0.406 0.000 2.444 470 Q HA 0.375 4.717 4.340 0.003 0.000 0.251 470 Q C -1.652 174.155 176.000 -0.322 0.000 0.939 470 Q CA -0.512 54.907 55.803 -0.639 0.000 0.740 470 Q CB 1.337 29.327 28.738 -1.246 0.000 1.308 470 Q HN 0.627 nan 8.270 nan 0.000 0.461 471 I N 2.673 123.106 120.570 -0.228 0.000 2.379 471 I HA 0.158 4.330 4.170 0.003 0.000 0.290 471 I C 0.604 176.630 176.117 -0.152 0.000 1.063 471 I CA 0.305 61.529 61.300 -0.127 0.000 1.351 471 I CB 1.367 39.329 38.000 -0.065 0.000 1.410 471 I HN 0.424 nan 8.210 nan 0.000 0.505 472 T N 3.043 117.495 114.554 -0.171 0.000 2.938 472 T HA 0.225 4.577 4.350 0.003 0.000 0.285 472 T C 1.319 175.809 174.700 -0.351 0.000 1.028 472 T CA -0.451 61.458 62.100 -0.318 0.000 1.005 472 T CB 1.573 70.304 68.868 -0.229 0.000 1.157 472 T HN 0.650 nan 8.240 nan 0.000 0.550 473 S N 1.127 116.481 115.700 -0.577 0.000 2.378 473 S HA -0.206 4.266 4.470 0.003 0.000 0.229 473 S C 1.996 176.589 174.600 -0.012 0.000 1.052 473 S CA 1.747 59.780 58.200 -0.278 0.000 1.084 473 S CB -0.884 62.210 63.200 -0.177 0.000 0.950 473 S HN 0.814 nan 8.310 nan 0.000 0.440 474 A N 1.644 124.440 122.820 -0.041 0.000 2.010 474 A HA 0.240 4.562 4.320 0.003 0.000 0.204 474 A C 1.242 178.866 177.584 0.067 0.000 1.364 474 A CA 0.982 53.033 52.037 0.023 0.000 0.622 474 A CB -0.885 18.115 19.000 -0.000 0.000 0.983 474 A HN 0.625 nan 8.150 nan 0.000 0.491 475 S N -1.173 114.555 115.700 0.047 0.000 2.501 475 S HA 0.484 4.956 4.470 0.003 0.000 0.301 475 S C -0.342 174.298 174.600 0.066 0.000 1.096 475 S CA -0.119 58.145 58.200 0.106 0.000 1.063 475 S CB 1.362 64.612 63.200 0.084 0.000 1.042 475 S HN 1.522 nan 8.310 nan 0.000 0.494 476 V N 4.000 123.977 119.914 0.104 0.000 2.400 476 V HA 0.285 4.407 4.120 0.003 0.000 0.263 476 V C 0.348 176.475 176.094 0.055 0.000 1.026 476 V CA -0.157 62.154 62.300 0.019 0.000 1.077 476 V CB -1.138 30.642 31.823 -0.071 0.000 1.054 476 V HN 0.874 nan 8.190 nan 0.000 0.477 477 R N 4.482 124.986 120.500 0.008 0.000 2.574 477 R HA 0.750 5.092 4.340 0.003 0.000 0.266 477 R C -0.988 175.379 176.300 0.113 0.000 1.157 477 R CA -0.807 55.328 56.100 0.059 0.000 1.187 477 R CB 0.893 31.224 30.300 0.051 0.000 1.179 477 R HN 0.659 nan 8.270 nan 0.000 0.600 478 L N 0.109 121.442 121.223 0.182 0.000 2.526 478 L HA 0.412 4.754 4.340 0.003 0.000 0.263 478 L C -1.641 175.337 176.870 0.179 0.000 0.943 478 L CA -0.473 54.483 54.840 0.192 0.000 0.859 478 L CB 2.378 44.504 42.059 0.112 0.000 1.313 478 L HN 0.302 nan 8.230 nan 0.000 0.406 479 V N 2.766 122.771 119.914 0.151 0.000 2.925 479 V HA 0.712 4.834 4.120 0.003 0.000 0.311 479 V C -0.160 175.923 176.094 -0.018 0.000 1.104 479 V CA -0.494 61.787 62.300 -0.032 0.000 0.954 479 V CB 2.315 33.920 31.823 -0.364 0.000 1.022 479 V HN 0.833 nan 8.190 nan 0.000 0.427 480 S N 1.114 116.794 115.700 -0.034 0.000 2.758 480 S HA 0.422 4.894 4.470 0.003 0.000 0.292 480 S C 0.396 174.982 174.600 -0.023 0.000 1.131 480 S CA -0.634 57.563 58.200 -0.006 0.000 0.997 480 S CB 1.737 64.941 63.200 0.006 0.000 1.111 480 S HN 0.772 nan 8.310 nan 0.000 0.552 481 Q N 0.489 120.289 119.800 0.001 0.000 2.304 481 Q HA 0.132 4.474 4.340 0.003 0.000 0.204 481 Q C 1.423 177.420 176.000 -0.005 0.000 0.936 481 Q CA 0.750 56.551 55.803 -0.003 0.000 0.878 481 Q CB -0.159 28.586 28.738 0.011 0.000 0.983 481 Q HN 0.549 nan 8.270 nan 0.000 0.516 482 E N 0.803 121.005 120.200 0.004 0.000 2.004 482 E HA -0.049 4.303 4.350 0.003 0.000 0.193 482 E C -0.447 176.150 176.600 -0.004 0.000 0.985 482 E CA 0.809 57.210 56.400 0.003 0.000 0.832 482 E CB -1.460 28.247 29.700 0.011 0.000 0.787 482 E HN 0.165 nan 8.360 nan 0.000 0.466 483 P HA -0.174 nan 4.420 nan 0.000 0.212 483 P C -0.032 177.254 177.300 -0.023 0.000 1.178 483 P CA 1.722 64.817 63.100 -0.008 0.000 0.915 483 P CB -0.020 31.680 31.700 -0.001 0.000 0.788 484 K N -1.181 119.197 120.400 -0.036 0.000 3.585 484 K HA 0.014 4.336 4.320 0.003 0.000 0.275 484 K C -1.253 175.303 176.600 -0.072 0.000 1.026 484 K CA 0.819 57.063 56.287 -0.072 0.000 0.800 484 K CB -1.992 30.466 32.500 -0.070 0.000 1.401 484 K HN 0.405 nan 8.250 nan 0.000 0.453 485 A N 1.963 124.747 122.820 -0.059 0.000 1.320 485 A HA 0.445 4.767 4.320 0.003 0.000 0.218 485 A C 0.369 177.947 177.584 -0.011 0.000 0.940 485 A CA -0.216 51.796 52.037 -0.041 0.000 0.663 485 A CB -0.423 18.558 19.000 -0.032 0.000 0.547 485 A HN 1.341 nan 8.150 nan 0.000 0.322 486 L N 1.622 122.848 121.223 0.005 0.000 5.144 486 L HA -0.305 4.037 4.340 0.003 0.000 0.440 486 L C 2.023 178.911 176.870 0.030 0.000 1.049 486 L CA 2.300 57.154 54.840 0.024 0.000 1.070 486 L CB -2.223 39.847 42.059 0.018 0.000 1.866 486 L HN 1.546 nan 8.230 nan 0.000 0.743 487 V N -2.075 117.855 119.914 0.027 0.000 2.285 487 V HA -0.405 3.717 4.120 0.003 0.000 0.259 487 V C 1.508 177.625 176.094 0.037 0.000 1.088 487 V CA 2.467 64.785 62.300 0.031 0.000 1.098 487 V CB -0.898 30.947 31.823 0.036 0.000 0.738 487 V HN 0.713 nan 8.190 nan 0.000 0.461 488 S N -2.504 113.227 115.700 0.052 0.000 2.790 488 S HA 0.645 5.117 4.470 0.003 0.000 0.292 488 S C -1.375 173.266 174.600 0.069 0.000 1.197 488 S CA -0.241 57.992 58.200 0.055 0.000 0.851 488 S CB 2.191 65.429 63.200 0.064 0.000 1.217 488 S HN 0.623 nan 8.310 nan 0.000 0.526 489 E N -0.120 120.126 120.200 0.077 0.000 2.830 489 E HA 0.247 4.599 4.350 0.003 0.000 0.333 489 E C -2.294 174.373 176.600 0.111 0.000 0.974 489 E CA -0.299 56.154 56.400 0.089 0.000 0.819 489 E CB 0.602 30.331 29.700 0.049 0.000 1.293 489 E HN 0.555 nan 8.360 nan 0.000 0.419 490 W N 3.957 125.234 121.300 -0.038 0.000 2.436 490 W HA 0.670 5.332 4.660 0.003 0.000 0.347 490 W C -0.702 175.779 176.519 -0.065 0.000 1.136 490 W CA -0.146 57.162 57.345 -0.062 0.000 1.286 490 W CB 1.424 30.838 29.460 -0.076 0.000 1.253 490 W HN 0.432 nan 8.180 nan 0.000 0.617 491 K N 2.559 122.820 120.400 -0.231 0.000 2.569 491 K HA 0.087 4.409 4.320 0.003 0.000 0.259 491 K C -1.148 175.149 176.600 -0.506 0.000 0.932 491 K CA -0.569 55.622 56.287 -0.160 0.000 0.833 491 K CB 1.561 33.963 32.500 -0.164 0.000 1.340 491 K HN 0.380 nan 8.250 nan 0.000 0.429 492 E N 5.149 125.278 120.200 -0.117 0.000 2.324 492 E HA 0.124 4.476 4.350 0.003 0.000 0.271 492 E C -1.920 174.596 176.600 -0.140 0.000 1.028 492 E CA -1.638 54.715 56.400 -0.078 0.000 0.890 492 E CB 0.735 30.599 29.700 0.272 0.000 1.004 492 E HN 0.335 nan 8.360 nan 0.000 0.431 493 P HA -0.017 nan 4.420 nan 0.000 0.245 493 P C -0.209 177.075 177.300 -0.026 0.000 1.670 493 P CA 0.572 63.597 63.100 -0.126 0.000 1.146 493 P CB 0.343 31.970 31.700 -0.122 0.000 1.954 494 Q N 0.328 120.116 119.800 -0.020 0.000 1.242 494 Q HA 0.074 4.416 4.340 0.003 0.000 0.123 494 Q C 0.200 176.203 176.000 0.005 0.000 0.685 494 Q CA 0.607 56.412 55.803 0.004 0.000 0.599 494 Q CB -0.536 28.222 28.738 0.033 0.000 1.062 494 Q HN 0.441 nan 8.270 nan 0.000 0.319 495 A N 1.477 124.297 122.820 -0.000 0.000 2.429 495 A HA -0.199 4.123 4.320 0.003 0.000 0.290 495 A C -0.281 177.324 177.584 0.035 0.000 1.439 495 A CA 1.685 53.728 52.037 0.009 0.000 0.731 495 A CB -1.358 17.642 19.000 0.000 0.000 1.138 495 A HN 0.087 nan 8.150 nan 0.000 0.384 496 K N 0.330 120.769 120.400 0.064 0.000 2.535 496 K HA 0.322 4.644 4.320 0.003 0.000 0.251 496 K C -0.569 176.109 176.600 0.131 0.000 0.942 496 K CA -0.998 55.342 56.287 0.089 0.000 0.798 496 K CB 1.125 33.682 32.500 0.094 0.000 1.267 496 K HN 0.567 nan 8.250 nan 0.000 0.434 497 N N 2.024 120.798 118.700 0.124 0.000 2.415 497 N HA 0.163 4.905 4.740 0.003 0.000 0.248 497 N C -0.012 175.614 175.510 0.194 0.000 1.271 497 N CA 0.173 53.316 53.050 0.154 0.000 0.913 497 N CB 0.532 39.110 38.487 0.152 0.000 1.129 497 N HN 0.402 nan 8.380 nan 0.000 0.444 498 I N 0.867 121.572 120.570 0.225 0.000 2.441 498 I HA -0.041 4.131 4.170 0.003 0.000 0.287 498 I C 1.634 177.901 176.117 0.250 0.000 1.049 498 I CA -0.030 61.407 61.300 0.230 0.000 1.381 498 I CB 0.805 38.940 38.000 0.225 0.000 1.409 498 I HN 0.575 nan 8.210 nan 0.000 0.523 499 S N 4.652 120.437 115.700 0.141 0.000 2.444 499 S HA 0.155 4.627 4.470 0.003 0.000 0.223 499 S C 0.548 175.105 174.600 -0.071 0.000 1.054 499 S CA -0.070 58.164 58.200 0.057 0.000 0.947 499 S CB 0.225 63.452 63.200 0.046 0.000 0.850 499 S HN 0.345 nan 8.310 nan 0.000 0.527 500 V N 2.344 122.250 119.914 -0.013 0.000 2.384 500 V HA 0.777 4.900 4.120 0.003 0.000 0.287 500 V C -0.054 176.042 176.094 0.004 0.000 1.020 500 V CA -0.705 61.576 62.300 -0.031 0.000 0.850 500 V CB 0.857 32.693 31.823 0.021 0.000 0.987 500 V HN 0.652 nan 8.190 nan 0.000 0.436 501 A N 4.435 127.270 122.820 0.024 0.000 2.290 501 A HA 0.863 5.185 4.320 0.003 0.000 0.310 501 A C 0.097 177.702 177.584 0.034 0.000 1.202 501 A CA -0.236 51.841 52.037 0.066 0.000 0.837 501 A CB 0.775 19.921 19.000 0.243 0.000 1.139 501 A HN 0.764 nan 8.150 nan 0.000 0.509 502 S N -0.388 115.178 115.700 -0.224 0.000 2.627 502 S HA 0.800 5.272 4.470 0.003 0.000 0.283 502 S C -0.918 173.206 174.600 -0.793 0.000 1.127 502 S CA -0.291 57.710 58.200 -0.332 0.000 0.863 502 S CB 1.560 64.677 63.200 -0.137 0.000 1.121 502 S HN 1.970 nan 8.310 nan 0.000 0.479 503 C N 2.077 120.973 119.300 -0.674 0.000 3.086 503 C HA 0.394 4.856 4.460 0.003 0.000 0.396 503 C C 0.115 175.069 174.990 -0.059 0.000 1.056 503 C CA -0.475 58.234 59.018 -0.515 0.000 1.078 503 C CB -0.426 26.812 27.740 -0.837 0.000 1.467 503 C HN 1.184 nan 8.230 nan 0.000 0.580 504 N N 2.154 120.845 118.700 -0.014 0.000 2.622 504 N HA 0.301 5.043 4.740 0.003 0.000 0.213 504 N C 0.751 176.326 175.510 0.109 0.000 1.037 504 N CA 1.327 54.430 53.050 0.088 0.000 0.999 504 N CB 0.180 38.699 38.487 0.052 0.000 1.342 504 N HN 1.518 nan 8.380 nan 0.000 0.465 505 S N -3.861 111.876 115.700 0.062 0.000 2.436 505 S HA 0.233 4.705 4.470 0.003 0.000 0.207 505 S C 0.245 174.878 174.600 0.055 0.000 0.847 505 S CA 0.074 58.320 58.200 0.077 0.000 1.623 505 S CB -0.670 62.583 63.200 0.088 0.000 1.267 505 S HN 0.229 nan 8.310 nan 0.000 0.591 506 S N 0.495 116.207 115.700 0.019 0.000 3.624 506 S HA 0.348 4.820 4.470 0.003 0.000 0.244 506 S C 0.140 174.710 174.600 -0.049 0.000 1.115 506 S CA -0.254 57.948 58.200 0.003 0.000 0.820 506 S CB 0.004 63.220 63.200 0.025 0.000 0.964 506 S HN 0.356 nan 8.310 nan 0.000 0.508 507 Q N 1.321 121.079 119.800 -0.070 0.000 2.354 507 Q HA 0.560 4.902 4.340 0.003 0.000 0.244 507 Q C -1.220 174.650 176.000 -0.216 0.000 0.969 507 Q CA 0.142 55.853 55.803 -0.153 0.000 0.885 507 Q CB 1.050 29.662 28.738 -0.210 0.000 1.241 507 Q HN 0.175 nan 8.270 nan 0.000 0.461 508 V N 2.645 122.388 119.914 -0.285 0.000 2.623 508 V HA 0.495 4.617 4.120 0.003 0.000 0.304 508 V C -1.214 174.647 176.094 -0.389 0.000 1.054 508 V CA -0.719 61.389 62.300 -0.320 0.000 0.882 508 V CB 2.131 33.800 31.823 -0.258 0.000 1.002 508 V HN 0.486 nan 8.190 nan 0.000 0.424 509 V N 5.785 125.497 119.914 -0.337 0.000 2.482 509 V HA 0.565 4.687 4.120 0.003 0.000 0.295 509 V C -0.044 175.958 176.094 -0.153 0.000 1.026 509 V CA -0.390 61.770 62.300 -0.235 0.000 0.856 509 V CB 2.054 33.752 31.823 -0.209 0.000 1.001 509 V HN 0.775 nan 8.190 nan 0.000 0.424 510 V N 2.412 122.267 119.914 -0.098 0.000 3.420 510 V HA 1.094 5.216 4.120 0.003 0.000 0.295 510 V C 0.032 176.145 176.094 0.033 0.000 1.201 510 V CA -0.589 61.682 62.300 -0.048 0.000 0.995 510 V CB 1.846 33.621 31.823 -0.080 0.000 1.244 510 V HN 1.333 nan 8.190 nan 0.000 0.466 511 A N -1.074 121.784 122.820 0.062 0.000 2.512 511 A HA 0.674 4.996 4.320 0.003 0.000 0.294 511 A C -0.319 177.318 177.584 0.089 0.000 1.054 511 A CA 0.148 52.217 52.037 0.053 0.000 0.756 511 A CB 1.548 20.564 19.000 0.026 0.000 1.293 511 A HN 1.058 nan 8.150 nan 0.000 0.395 512 V N 1.531 121.497 119.914 0.087 0.000 3.174 512 V HA 0.382 4.504 4.120 0.003 0.000 0.254 512 V C 1.616 177.732 176.094 0.037 0.000 1.120 512 V CA 2.230 64.594 62.300 0.106 0.000 1.114 512 V CB 0.201 32.119 31.823 0.157 0.000 0.756 512 V HN 1.509 nan 8.190 nan 0.000 0.467 513 G N -0.116 108.681 108.800 -0.006 0.000 3.206 513 G HA2 0.021 3.983 3.960 0.003 0.000 0.111 513 G HA3 0.021 3.983 3.960 0.003 0.000 0.111 513 G C 0.876 175.748 174.900 -0.047 0.000 1.043 513 G CA 0.057 45.134 45.100 -0.038 0.000 1.273 513 G HN 0.160 nan 8.290 nan 0.000 0.502 514 R N 0.979 121.431 120.500 -0.079 0.000 2.237 514 R HA 0.541 4.883 4.340 0.003 0.000 0.195 514 R C 1.198 177.390 176.300 -0.179 0.000 0.956 514 R CA 0.549 56.586 56.100 -0.105 0.000 1.029 514 R CB 0.468 30.698 30.300 -0.117 0.000 0.972 514 R HN 0.428 nan 8.270 nan 0.000 0.493 515 A N 2.569 125.283 122.820 -0.177 0.000 2.492 515 A HA 0.259 4.581 4.320 0.003 0.000 0.254 515 A C 0.005 177.409 177.584 -0.300 0.000 1.091 515 A CA 0.093 51.958 52.037 -0.288 0.000 0.768 515 A CB -0.084 18.805 19.000 -0.186 0.000 1.028 515 A HN 0.238 nan 8.150 nan 0.000 0.498 516 L N 3.910 124.846 121.223 -0.478 0.000 2.366 516 L HA 0.353 4.695 4.340 0.003 0.000 0.266 516 L C -0.343 176.336 176.870 -0.318 0.000 1.010 516 L CA -0.544 54.083 54.840 -0.354 0.000 0.879 516 L CB -0.065 41.732 42.059 -0.436 0.000 1.228 516 L HN 0.780 nan 8.230 nan 0.000 0.439 517 Y N 1.842 122.172 120.300 0.050 0.000 2.701 517 Y HA 0.220 4.772 4.550 0.003 0.000 0.479 517 Y C 0.042 176.122 175.900 0.301 0.000 1.395 517 Y CA 0.398 58.610 58.100 0.187 0.000 2.112 517 Y CB 0.390 38.895 38.460 0.075 0.000 1.802 517 Y HN 0.436 nan 8.280 nan 0.000 0.674 518 Y N -0.022 120.449 120.300 0.284 0.000 2.365 518 Y HA 0.385 4.937 4.550 0.004 0.000 0.327 518 Y C -2.255 173.648 175.900 0.005 0.000 1.356 518 Y CA -1.214 56.969 58.100 0.138 0.000 1.331 518 Y CB 0.211 38.814 38.460 0.239 0.000 1.298 518 Y HN 0.381 nan 8.280 nan 0.000 0.456 519 L N 3.795 125.330 121.223 0.520 0.000 2.403 519 L HA 0.750 5.092 4.340 0.003 0.000 0.253 519 L C -1.620 175.429 176.870 0.298 0.000 1.045 519 L CA -1.295 53.689 54.840 0.241 0.000 0.845 519 L CB 2.424 44.366 42.059 -0.195 0.000 1.447 519 L HN 0.616 nan 8.230 nan 0.000 0.411 520 Q N 0.944 120.861 119.800 0.196 0.000 2.397 520 Q HA 0.579 4.922 4.340 0.003 0.000 0.275 520 Q C -1.010 174.996 176.000 0.009 0.000 1.090 520 Q CA -0.685 55.189 55.803 0.119 0.000 0.809 520 Q CB 3.034 31.888 28.738 0.194 0.000 1.362 520 Q HN 0.443 nan 8.270 nan 0.000 0.431 521 I N 2.107 122.609 120.570 -0.113 0.000 2.204 521 I HA 0.162 4.334 4.170 0.003 0.000 0.285 521 I C -0.052 175.898 176.117 -0.278 0.000 1.112 521 I CA -0.173 61.056 61.300 -0.118 0.000 1.502 521 I CB -1.042 36.911 38.000 -0.077 0.000 1.499 521 I HN 0.538 nan 8.210 nan 0.000 0.661 522 H N 4.906 123.886 119.070 -0.150 0.000 2.707 522 H HA 0.149 4.707 4.556 0.003 0.000 0.359 522 H C -1.812 173.381 175.328 -0.224 0.000 1.113 522 H CA -1.460 54.444 56.048 -0.240 0.000 1.422 522 H CB 0.934 30.628 29.762 -0.113 0.000 1.443 522 H HN 0.104 nan 8.280 nan 0.000 0.591 523 P HA -0.152 nan 4.420 nan 0.000 0.140 523 P C -0.065 177.253 177.300 0.031 0.000 0.817 523 P CA 1.120 64.210 63.100 -0.017 0.000 1.248 523 P CB -0.375 31.398 31.700 0.121 0.000 1.542 524 Q N -1.623 118.188 119.800 0.017 0.000 2.412 524 Q HA -0.153 4.189 4.340 0.003 0.000 0.189 524 Q C -0.309 175.713 176.000 0.037 0.000 0.607 524 Q CA 0.717 56.541 55.803 0.035 0.000 1.345 524 Q CB -1.056 27.706 28.738 0.040 0.000 1.056 524 Q HN 0.607 nan 8.270 nan 0.000 1.003 525 E N -0.335 119.888 120.200 0.038 0.000 2.363 525 E HA 0.532 4.884 4.350 0.003 0.000 0.281 525 E C -0.941 175.706 176.600 0.079 0.000 0.953 525 E CA -0.801 55.633 56.400 0.057 0.000 0.778 525 E CB 0.662 30.392 29.700 0.051 0.000 1.220 525 E HN 0.135 nan 8.360 nan 0.000 0.431 526 L N 1.553 122.838 121.223 0.104 0.000 2.302 526 L HA 0.505 4.847 4.340 0.003 0.000 0.285 526 L C 0.504 177.494 176.870 0.200 0.000 1.090 526 L CA -0.580 54.346 54.840 0.142 0.000 0.866 526 L CB 0.173 42.336 42.059 0.174 0.000 1.244 526 L HN 0.377 nan 8.230 nan 0.000 0.435 527 R N 2.204 122.808 120.500 0.172 0.000 2.410 527 R HA 0.271 4.613 4.340 0.003 0.000 0.288 527 R C -0.119 176.288 176.300 0.178 0.000 1.051 527 R CA -0.416 55.776 56.100 0.154 0.000 1.021 527 R CB 1.120 31.474 30.300 0.090 0.000 1.032 527 R HN 0.591 nan 8.270 nan 0.000 0.481 528 Q N 2.506 122.426 119.800 0.201 0.000 2.318 528 Q HA 0.274 4.616 4.340 0.003 0.000 0.222 528 Q C 0.202 176.248 176.000 0.078 0.000 1.003 528 Q CA -0.184 55.752 55.803 0.222 0.000 0.936 528 Q CB 0.937 29.867 28.738 0.320 0.000 1.204 528 Q HN 0.623 nan 8.270 nan 0.000 0.524 529 I N -1.569 119.033 120.570 0.053 0.000 2.394 529 I HA 0.120 4.292 4.170 0.003 0.000 0.312 529 I C 0.182 176.359 176.117 0.099 0.000 0.579 529 I CA -0.408 60.857 61.300 -0.058 0.000 3.074 529 I CB -0.119 37.620 38.000 -0.435 0.000 1.566 529 I HN 0.411 nan 8.210 nan 0.000 0.530 530 S N -0.327 115.471 115.700 0.164 0.000 2.661 530 S HA 0.423 4.895 4.470 0.003 0.000 0.265 530 S C -0.919 173.973 174.600 0.486 0.000 1.225 530 S CA 0.125 58.561 58.200 0.393 0.000 0.986 530 S CB 0.888 64.472 63.200 0.639 0.000 1.008 530 S HN 0.500 nan 8.310 nan 0.000 0.565 531 H N -1.078 118.119 119.070 0.211 0.000 3.139 531 H HA 0.458 5.016 4.556 0.003 0.000 0.325 531 H C -1.300 173.830 175.328 -0.330 0.000 1.146 531 H CA -0.166 55.814 56.048 -0.113 0.000 1.351 531 H CB 0.866 30.621 29.762 -0.013 0.000 2.005 531 H HN 0.569 nan 8.280 nan 0.000 0.517 532 T N 3.106 116.948 114.554 -1.188 0.000 2.769 532 T HA 0.335 4.687 4.350 0.003 0.000 0.306 532 T C -1.433 172.734 174.700 -0.888 0.000 1.400 532 T CA -0.889 60.673 62.100 -0.896 0.000 1.007 532 T CB 2.172 70.585 68.868 -0.759 0.000 1.392 532 T HN 0.578 nan 8.240 nan 0.000 0.500 533 E N 1.254 121.140 120.200 -0.522 0.000 2.272 533 E HA 0.573 4.925 4.350 0.003 0.000 0.269 533 E C -1.149 175.304 176.600 -0.245 0.000 0.877 533 E CA -0.757 55.429 56.400 -0.356 0.000 0.755 533 E CB 1.098 30.646 29.700 -0.252 0.000 1.192 533 E HN 0.446 nan 8.360 nan 0.000 0.422 534 M N 2.519 122.002 119.600 -0.195 0.000 2.644 534 M HA 0.296 4.778 4.480 0.003 0.000 0.316 534 M C 1.054 177.243 176.300 -0.185 0.000 1.200 534 M CA -0.766 54.443 55.300 -0.151 0.000 0.944 534 M CB 1.276 33.819 32.600 -0.094 0.000 1.691 534 M HN 0.564 nan 8.290 nan 0.000 0.471 535 E N 1.111 121.167 120.200 -0.242 0.000 2.330 535 E HA -0.238 4.115 4.350 0.003 0.000 0.239 535 E C 0.231 176.435 176.600 -0.661 0.000 1.097 535 E CA 1.989 58.073 56.400 -0.526 0.000 1.031 535 E CB -0.211 29.107 29.700 -0.637 0.000 0.885 535 E HN 0.604 nan 8.360 nan 0.000 0.479 536 H N -0.943 118.117 119.070 -0.016 0.000 2.908 536 H HA 0.342 4.900 4.556 0.004 0.000 0.350 536 H C -0.285 175.046 175.328 0.005 0.000 1.217 536 H CA -0.827 55.224 56.048 0.005 0.000 1.168 536 H CB 0.576 30.372 29.762 0.058 0.000 1.891 536 H HN -0.052 nan 8.280 nan 0.000 0.566 537 E N 1.256 121.536 120.200 0.132 0.000 2.493 537 E HA 0.060 4.412 4.350 0.003 0.000 0.255 537 E C -0.376 176.357 176.600 0.222 0.000 0.999 537 E CA -0.162 56.243 56.400 0.009 0.000 0.934 537 E CB 0.579 30.025 29.700 -0.425 0.000 0.940 537 E HN 0.153 nan 8.360 nan 0.000 0.473 538 V N 4.456 124.449 119.914 0.132 0.000 2.458 538 V HA -0.065 4.057 4.120 0.003 0.000 0.287 538 V C 1.131 177.383 176.094 0.263 0.000 1.009 538 V CA 0.776 63.171 62.300 0.158 0.000 1.091 538 V CB 0.631 32.496 31.823 0.070 0.000 0.960 538 V HN 0.860 nan 8.190 nan 0.000 0.476 539 A N 4.867 127.848 122.820 0.268 0.000 1.898 539 A HA 0.154 4.476 4.320 0.003 0.000 0.214 539 A C 1.010 178.655 177.584 0.102 0.000 1.183 539 A CA 1.250 53.406 52.037 0.199 0.000 0.622 539 A CB -0.090 18.859 19.000 -0.085 0.000 0.824 539 A HN 1.225 nan 8.150 nan 0.000 0.444 540 C N -3.710 115.631 119.300 0.068 0.000 3.289 540 C HA 0.703 5.165 4.460 0.003 0.000 0.354 540 C C -1.350 173.673 174.990 0.055 0.000 1.201 540 C CA -1.379 57.672 59.018 0.054 0.000 1.199 540 C CB 0.164 27.927 27.740 0.038 0.000 1.511 540 C HN 0.346 nan 8.230 nan 0.000 0.506 541 L N 1.534 122.795 121.223 0.062 0.000 2.455 541 L HA 0.689 5.032 4.340 0.003 0.000 0.264 541 L C -1.325 175.588 176.870 0.070 0.000 0.968 541 L CA 0.065 54.940 54.840 0.059 0.000 0.827 541 L CB 1.994 44.080 42.059 0.044 0.000 1.317 541 L HN 0.885 nan 8.230 nan 0.000 0.407 542 D N 2.736 123.176 120.400 0.067 0.000 2.505 542 D HA 0.741 5.383 4.640 0.003 0.000 0.249 542 D C -1.374 174.957 176.300 0.052 0.000 1.082 542 D CA -0.215 53.831 54.000 0.077 0.000 0.839 542 D CB 1.757 42.613 40.800 0.095 0.000 1.317 542 D HN 0.311 nan 8.370 nan 0.000 0.497 543 I N 0.192 120.789 120.570 0.044 0.000 2.607 543 I HA 0.695 4.867 4.170 0.003 0.000 0.290 543 I C -0.973 175.165 176.117 0.035 0.000 1.129 543 I CA -0.551 60.758 61.300 0.016 0.000 1.042 543 I CB 2.333 40.304 38.000 -0.048 0.000 1.242 543 I HN 0.176 nan 8.210 nan 0.000 0.421 544 T N 3.616 118.192 114.554 0.038 0.000 3.097 544 T HA 0.472 4.824 4.350 0.003 0.000 0.332 544 T C -3.093 171.632 174.700 0.042 0.000 1.269 544 T CA -1.123 61.005 62.100 0.046 0.000 1.076 544 T CB 2.082 70.985 68.868 0.059 0.000 1.209 544 T HN 0.470 nan 8.240 nan 0.000 0.474 545 P HA 0.194 nan 4.420 nan 0.000 0.264 545 P C -0.156 177.179 177.300 0.059 0.000 1.229 545 P CA -0.141 62.985 63.100 0.042 0.000 0.780 545 P CB 0.496 32.218 31.700 0.037 0.000 0.808 546 L N 3.847 125.125 121.223 0.091 0.000 2.338 546 L HA 0.260 4.602 4.340 0.003 0.000 0.202 546 L C 2.586 179.542 176.870 0.144 0.000 1.208 546 L CA 1.459 56.385 54.840 0.144 0.000 2.369 546 L CB -1.436 40.804 42.059 0.301 0.000 2.113 546 L HN 0.339 nan 8.230 nan 0.000 1.047 547 G N -0.139 108.817 108.800 0.259 0.000 2.654 547 G HA2 -0.152 3.810 3.960 0.003 0.000 0.215 547 G HA3 -0.152 3.810 3.960 0.003 0.000 0.215 547 G C 0.236 175.198 174.900 0.104 0.000 1.310 547 G CA 0.688 45.899 45.100 0.185 0.000 0.866 547 G HN 0.628 nan 8.290 nan 0.000 0.558 548 D N 0.159 120.611 120.400 0.086 0.000 2.676 548 D HA 0.308 4.950 4.640 0.003 0.000 0.239 548 D C -0.058 176.265 176.300 0.038 0.000 1.213 548 D CA -0.096 53.935 54.000 0.051 0.000 0.835 548 D CB -0.115 40.707 40.800 0.037 0.000 1.009 548 D HN 0.206 nan 8.370 nan 0.000 0.479 549 S N -0.445 115.281 115.700 0.044 0.000 2.706 549 S HA 0.285 4.757 4.470 0.003 0.000 0.270 549 S C -0.917 173.705 174.600 0.038 0.000 1.163 549 S CA -1.091 57.131 58.200 0.036 0.000 1.042 549 S CB 0.606 63.825 63.200 0.031 0.000 1.079 549 S HN 0.153 nan 8.310 nan 0.000 0.474 550 N N 2.069 120.789 118.700 0.035 0.000 2.430 550 N HA 0.407 5.149 4.740 0.003 0.000 0.265 550 N C 1.243 176.774 175.510 0.035 0.000 1.100 550 N CA 0.728 53.798 53.050 0.033 0.000 0.961 550 N CB 1.332 39.836 38.487 0.029 0.000 1.075 550 N HN 1.093 nan 8.380 nan 0.000 0.478 551 G N 2.180 111.001 108.800 0.035 0.000 5.229 551 G HA2 -0.330 3.632 3.960 0.003 0.000 0.250 551 G HA3 -0.330 3.632 3.960 0.003 0.000 0.250 551 G C 0.129 175.047 174.900 0.031 0.000 1.380 551 G CA -0.050 45.071 45.100 0.036 0.000 0.933 551 G HN 0.499 nan 8.290 nan 0.000 0.731 552 L N 2.112 123.358 121.223 0.038 0.000 2.410 552 L HA 0.617 4.959 4.340 0.003 0.000 0.273 552 L C 0.699 177.585 176.870 0.027 0.000 1.152 552 L CA 0.916 55.781 54.840 0.040 0.000 0.855 552 L CB 1.482 43.578 42.059 0.062 0.000 1.129 552 L HN 0.431 nan 8.230 nan 0.000 0.463 553 S N 5.739 121.444 115.700 0.009 0.000 2.437 553 S HA 0.573 5.045 4.470 0.003 0.000 0.305 553 S C -1.985 172.608 174.600 -0.011 0.000 1.109 553 S CA -1.446 56.752 58.200 -0.003 0.000 1.099 553 S CB 1.058 64.246 63.200 -0.019 0.000 1.004 553 S HN 0.482 nan 8.310 nan 0.000 0.475 554 P HA 0.023 nan 4.420 nan 0.000 0.259 554 P C 0.286 177.564 177.300 -0.036 0.000 1.353 554 P CA -0.046 63.039 63.100 -0.025 0.000 0.727 554 P CB 0.013 31.694 31.700 -0.032 0.000 1.300 555 L N -2.015 119.186 121.223 -0.038 0.000 2.425 555 L HA 0.439 4.781 4.340 0.003 0.000 0.225 555 L C 0.266 177.125 176.870 -0.020 0.000 1.222 555 L CA -0.299 54.520 54.840 -0.034 0.000 0.832 555 L CB -0.450 41.592 42.059 -0.028 0.000 1.238 555 L HN 0.304 nan 8.230 nan 0.000 0.533 556 C N -1.126 118.171 119.300 -0.006 0.000 3.284 556 C HA 0.918 5.380 4.460 0.003 0.000 0.348 556 C C -0.872 174.135 174.990 0.028 0.000 1.448 556 C CA 0.185 59.211 59.018 0.014 0.000 1.223 556 C CB 1.222 28.965 27.740 0.006 0.000 1.588 556 C HN 1.346 nan 8.230 nan 0.000 0.451 557 A N 1.048 123.891 122.820 0.038 0.000 2.609 557 A HA 0.944 5.266 4.320 0.003 0.000 0.291 557 A C -1.586 176.022 177.584 0.040 0.000 1.096 557 A CA -0.306 51.752 52.037 0.035 0.000 0.684 557 A CB 1.307 20.330 19.000 0.038 0.000 1.282 557 A HN 1.381 nan 8.150 nan 0.000 0.412 558 I N -0.564 120.022 120.570 0.027 0.000 2.882 558 I HA 0.617 4.789 4.170 0.003 0.000 0.298 558 I C -0.477 175.647 176.117 0.011 0.000 1.462 558 I CA -0.418 60.901 61.300 0.031 0.000 1.000 558 I CB 2.284 40.309 38.000 0.042 0.000 1.340 558 I HN 1.042 nan 8.210 nan 0.000 0.462 559 G N 6.477 115.285 108.800 0.013 0.000 2.544 559 G HA2 0.661 4.623 3.960 0.003 0.000 0.313 559 G HA3 0.661 4.623 3.960 0.003 0.000 0.313 559 G C -1.199 173.709 174.900 0.015 0.000 1.316 559 G CA -0.438 44.653 45.100 -0.016 0.000 0.944 559 G HN 0.463 nan 8.290 nan 0.000 0.489 560 L N 0.524 121.765 121.223 0.030 0.000 2.421 560 L HA 0.538 4.881 4.340 0.003 0.000 0.267 560 L C 0.858 177.793 176.870 0.108 0.000 1.036 560 L CA -1.081 53.844 54.840 0.142 0.000 0.829 560 L CB 1.261 43.428 42.059 0.181 0.000 1.437 560 L HN 0.593 nan 8.230 nan 0.000 0.488 561 W N 0.016 121.293 121.300 -0.038 0.000 2.501 561 W HA -0.046 4.616 4.660 0.003 0.000 0.309 561 W C 2.400 178.822 176.519 -0.162 0.000 1.165 561 W CA 1.126 58.423 57.345 -0.079 0.000 1.381 561 W CB -0.443 28.997 29.460 -0.034 0.000 1.142 561 W HN 0.493 nan 8.180 nan 0.000 0.509 562 T N -1.107 113.409 114.554 -0.063 0.000 3.037 562 T HA -0.063 4.289 4.350 0.003 0.000 0.251 562 T C 0.837 175.366 174.700 -0.284 0.000 1.079 562 T CA 1.086 63.093 62.100 -0.155 0.000 1.067 562 T CB -0.229 68.514 68.868 -0.210 0.000 0.948 562 T HN 0.130 nan 8.240 nan 0.000 0.496 563 D N 0.834 120.991 120.400 -0.404 0.000 2.369 563 D HA 0.084 4.726 4.640 0.003 0.000 0.211 563 D C 0.206 176.399 176.300 -0.179 0.000 1.077 563 D CA -0.540 53.302 54.000 -0.264 0.000 0.842 563 D CB -0.432 40.227 40.800 -0.234 0.000 0.947 563 D HN 0.104 nan 8.370 nan 0.000 0.509 564 I N 1.305 121.769 120.570 -0.178 0.000 7.450 564 I HA -0.219 3.954 4.170 0.003 0.000 0.126 564 I C -0.197 175.813 176.117 -0.179 0.000 1.700 564 I CA 0.230 61.421 61.300 -0.181 0.000 2.278 564 I CB -1.922 35.974 38.000 -0.174 0.000 3.393 564 I HN 0.416 nan 8.210 nan 0.000 0.236 565 S N 2.935 118.541 115.700 -0.156 0.000 2.596 565 S HA 0.997 5.469 4.470 0.003 0.000 0.270 565 S C -0.793 173.733 174.600 -0.123 0.000 1.155 565 S CA -0.263 57.849 58.200 -0.147 0.000 0.827 565 S CB 2.444 65.579 63.200 -0.108 0.000 1.130 565 S HN 1.646 nan 8.310 nan 0.000 0.467 566 A N 1.855 124.590 122.820 -0.142 0.000 2.398 566 A HA 0.925 5.247 4.320 0.003 0.000 0.301 566 A C -0.578 176.918 177.584 -0.146 0.000 1.041 566 A CA -1.000 50.968 52.037 -0.115 0.000 0.711 566 A CB 1.280 20.216 19.000 -0.105 0.000 1.240 566 A HN 1.040 nan 8.150 nan 0.000 0.420 567 R N 2.219 122.660 120.500 -0.098 0.000 2.740 567 R HA 0.649 4.991 4.340 0.003 0.000 0.273 567 R C -1.467 174.802 176.300 -0.051 0.000 0.998 567 R CA -0.792 55.245 56.100 -0.106 0.000 0.900 567 R CB 1.061 31.313 30.300 -0.079 0.000 1.223 567 R HN 0.446 nan 8.270 nan 0.000 0.466 568 I N 3.024 123.568 120.570 -0.043 0.000 2.331 568 I HA 0.464 4.636 4.170 0.003 0.000 0.292 568 I C -0.358 175.768 176.117 0.015 0.000 0.998 568 I CA -0.866 60.435 61.300 0.003 0.000 1.267 568 I CB 0.578 38.596 38.000 0.030 0.000 1.386 568 I HN 0.517 nan 8.210 nan 0.000 0.476 569 L N 5.444 126.682 121.223 0.024 0.000 2.469 569 L HA 0.501 4.843 4.340 0.003 0.000 0.256 569 L C 0.294 177.170 176.870 0.009 0.000 1.006 569 L CA -0.546 54.315 54.840 0.035 0.000 0.832 569 L CB 1.969 44.074 42.059 0.077 0.000 1.421 569 L HN 0.457 nan 8.230 nan 0.000 0.410 570 K N -0.280 120.111 120.400 -0.015 0.000 2.868 570 K HA 0.420 4.742 4.320 0.003 0.000 0.304 570 K C 0.158 176.636 176.600 -0.203 0.000 1.007 570 K CA -0.309 55.932 56.287 -0.078 0.000 1.123 570 K CB 0.512 32.972 32.500 -0.067 0.000 1.408 570 K HN 0.455 nan 8.250 nan 0.000 0.522 571 L N 0.505 121.571 121.223 -0.261 0.000 2.737 571 L HA 0.203 4.545 4.340 0.003 0.000 0.182 571 L C -1.636 174.843 176.870 -0.653 0.000 1.361 571 L CA 0.251 54.870 54.840 -0.369 0.000 0.955 571 L CB -0.624 41.359 42.059 -0.126 0.000 1.267 571 L HN 0.418 nan 8.230 nan 0.000 0.572 572 P HA -0.017 nan 4.420 nan 0.000 0.225 572 P C 1.523 178.691 177.300 -0.219 0.000 1.156 572 P CA 1.534 64.476 63.100 -0.263 0.000 0.787 572 P CB -0.062 31.575 31.700 -0.105 0.000 0.802 573 S N -1.000 114.584 115.700 -0.193 0.000 2.388 573 S HA -0.059 4.413 4.470 0.003 0.000 0.223 573 S C 0.763 175.474 174.600 0.186 0.000 1.034 573 S CA 0.241 58.450 58.200 0.016 0.000 0.963 573 S CB -1.441 61.760 63.200 0.001 0.000 0.827 573 S HN 0.085 nan 8.310 nan 0.000 0.481 574 F N 2.156 122.120 119.950 0.023 0.000 3.043 574 F HA -0.154 4.375 4.527 0.003 0.000 0.290 574 F C 0.142 175.938 175.800 -0.006 0.000 0.844 574 F CA 0.609 58.612 58.000 0.005 0.000 1.184 574 F CB -2.452 36.541 39.000 -0.012 0.000 1.246 574 F HN 0.491 nan 8.300 nan 0.000 0.536 575 E N 1.956 122.217 120.200 0.101 0.000 2.257 575 E HA 0.282 4.634 4.350 0.003 0.000 0.278 575 E C 0.205 176.835 176.600 0.048 0.000 1.049 575 E CA -0.771 55.669 56.400 0.066 0.000 0.876 575 E CB 1.791 31.513 29.700 0.037 0.000 1.035 575 E HN 0.345 nan 8.360 nan 0.000 0.419 576 L N 5.336 126.584 121.223 0.042 0.000 2.462 576 L HA 0.063 4.406 4.340 0.003 0.000 0.272 576 L C -0.441 176.441 176.870 0.019 0.000 1.166 576 L CA 0.308 55.163 54.840 0.024 0.000 0.880 576 L CB 0.195 42.261 42.059 0.011 0.000 1.142 576 L HN 0.751 nan 8.230 nan 0.000 0.473 577 L N 4.709 125.944 121.223 0.021 0.000 2.541 577 L HA 0.279 4.621 4.340 0.003 0.000 0.189 577 L C 0.453 177.358 176.870 0.058 0.000 1.374 577 L CA -0.004 54.860 54.840 0.039 0.000 2.938 577 L CB -0.637 41.451 42.059 0.048 0.000 2.789 577 L HN 0.743 nan 8.230 nan 0.000 1.068 578 H N 0.124 119.179 119.070 -0.024 0.000 2.500 578 H HA 0.565 5.123 4.556 0.003 0.000 0.351 578 H C -0.807 174.489 175.328 -0.053 0.000 1.281 578 H CA -0.774 55.253 56.048 -0.036 0.000 1.368 578 H CB 0.914 30.653 29.762 -0.039 0.000 1.616 578 H HN 0.379 nan 8.280 nan 0.000 0.591 579 K N 0.403 120.126 120.400 -1.130 0.000 2.533 579 K HA 0.470 4.792 4.320 0.003 0.000 0.284 579 K C -1.352 174.706 176.600 -0.903 0.000 1.025 579 K CA -1.177 54.636 56.287 -0.791 0.000 0.900 579 K CB 1.596 33.882 32.500 -0.356 0.000 1.519 579 K HN 0.481 nan 8.250 nan 0.000 0.432 580 E N 0.339 120.249 120.200 -0.483 0.000 2.281 580 E HA 0.511 4.863 4.350 0.003 0.000 0.262 580 E C -1.389 175.075 176.600 -0.225 0.000 0.933 580 E CA -0.884 55.319 56.400 -0.328 0.000 0.809 580 E CB 1.851 31.323 29.700 -0.381 0.000 1.242 580 E HN 0.611 nan 8.360 nan 0.000 0.418 581 M N 3.716 123.224 119.600 -0.153 0.000 2.944 581 M HA 0.367 4.849 4.480 0.003 0.000 0.235 581 M C -1.584 174.638 176.300 -0.130 0.000 1.188 581 M CA -0.259 54.964 55.300 -0.128 0.000 0.688 581 M CB 0.052 32.601 32.600 -0.084 0.000 1.406 581 M HN 0.462 nan 8.290 nan 0.000 0.479 582 L N -0.386 120.708 121.223 -0.214 0.000 2.492 582 L HA 0.522 4.864 4.340 0.003 0.000 0.280 582 L C 1.034 177.777 176.870 -0.212 0.000 1.240 582 L CA -0.115 54.536 54.840 -0.314 0.000 0.831 582 L CB -0.491 41.151 42.059 -0.694 0.000 1.100 582 L HN 0.502 nan 8.230 nan 0.000 0.505 583 G N -0.732 107.978 108.800 -0.150 0.000 2.890 583 G HA2 0.635 4.597 3.960 0.003 0.000 0.189 583 G HA3 0.635 4.597 3.960 0.003 0.000 0.189 583 G C 0.035 174.897 174.900 -0.064 0.000 1.342 583 G CA -0.490 44.567 45.100 -0.070 0.000 1.026 583 G HN 1.128 nan 8.290 nan 0.000 0.579 584 G N -1.398 107.389 108.800 -0.022 0.000 2.880 584 G HA2 -0.147 3.815 3.960 0.003 0.000 0.617 584 G HA3 -0.147 3.815 3.960 0.003 0.000 0.617 584 G C 0.363 175.238 174.900 -0.042 0.000 1.493 584 G CA 0.282 45.372 45.100 -0.017 0.000 0.916 584 G HN 0.584 nan 8.290 nan 0.000 0.553 585 E N -0.602 119.579 120.200 -0.033 0.000 2.479 585 E HA 0.126 4.478 4.350 0.003 0.000 0.193 585 E C 0.909 177.468 176.600 -0.068 0.000 1.049 585 E CA 0.102 56.478 56.400 -0.039 0.000 0.870 585 E CB 0.546 30.238 29.700 -0.013 0.000 0.944 585 E HN 0.368 nan 8.360 nan 0.000 0.492 586 I N 3.219 123.737 120.570 -0.086 0.000 2.392 586 I HA 0.176 4.348 4.170 0.003 0.000 0.295 586 I C 0.659 176.657 176.117 -0.199 0.000 0.985 586 I CA -1.098 60.125 61.300 -0.129 0.000 1.221 586 I CB 1.113 39.066 38.000 -0.078 0.000 1.366 586 I HN -0.062 nan 8.210 nan 0.000 0.467 587 I N 6.717 127.092 120.570 -0.324 0.000 2.834 587 I HA 0.473 4.645 4.170 0.003 0.000 0.305 587 I C -2.446 173.501 176.117 -0.284 0.000 1.008 587 I CA -2.257 58.803 61.300 -0.399 0.000 1.273 587 I CB 0.885 38.420 38.000 -0.775 0.000 1.432 587 I HN 0.249 nan 8.210 nan 0.000 0.557 588 P HA 0.193 nan 4.420 nan 0.000 0.273 588 P C 0.297 177.522 177.300 -0.125 0.000 1.319 588 P CA -0.136 62.881 63.100 -0.138 0.000 0.885 588 P CB 0.641 32.275 31.700 -0.109 0.000 1.015 589 R N 1.990 122.435 120.500 -0.092 0.000 2.096 589 R HA -0.008 4.334 4.340 0.003 0.000 0.235 589 R C 0.401 176.696 176.300 -0.008 0.000 1.127 589 R CA 1.155 57.220 56.100 -0.058 0.000 0.968 589 R CB 0.046 30.319 30.300 -0.044 0.000 0.861 589 R HN 0.404 nan 8.270 nan 0.000 0.440 590 S N -0.670 115.038 115.700 0.013 0.000 2.548 590 S HA 0.528 5.000 4.470 0.003 0.000 0.276 590 S C -1.435 173.205 174.600 0.067 0.000 1.129 590 S CA -0.774 57.453 58.200 0.046 0.000 0.931 590 S CB 1.205 64.437 63.200 0.052 0.000 1.068 590 S HN 0.145 nan 8.310 nan 0.000 0.480 591 I N 4.067 124.684 120.570 0.077 0.000 2.689 591 I HA 0.852 5.024 4.170 0.003 0.000 0.299 591 I C -1.736 174.447 176.117 0.110 0.000 1.059 591 I CA -0.715 60.643 61.300 0.096 0.000 1.055 591 I CB 1.794 39.838 38.000 0.075 0.000 1.243 591 I HN 0.657 nan 8.210 nan 0.000 0.425 592 L N 7.353 128.657 121.223 0.134 0.000 2.513 592 L HA 0.574 4.917 4.340 0.003 0.000 0.261 592 L C -1.215 175.753 176.870 0.163 0.000 0.945 592 L CA -0.484 54.437 54.840 0.136 0.000 0.848 592 L CB 1.992 44.128 42.059 0.129 0.000 1.334 592 L HN 0.673 nan 8.230 nan 0.000 0.407 593 M N 2.698 122.387 119.600 0.149 0.000 2.180 593 M HA 0.828 5.310 4.480 0.003 0.000 0.350 593 M C -0.872 175.524 176.300 0.161 0.000 1.125 593 M CA 0.029 55.434 55.300 0.174 0.000 1.031 593 M CB 1.495 34.182 32.600 0.146 0.000 1.623 593 M HN 0.641 nan 8.290 nan 0.000 0.451 594 T N 0.093 114.778 114.554 0.218 0.000 2.804 594 T HA 0.847 5.199 4.350 0.003 0.000 0.290 594 T C -0.470 174.349 174.700 0.198 0.000 1.099 594 T CA -0.693 61.485 62.100 0.131 0.000 1.011 594 T CB 2.168 71.073 68.868 0.061 0.000 1.291 594 T HN 0.723 nan 8.240 nan 0.000 0.523 595 T N 0.054 114.578 114.554 -0.049 0.000 2.894 595 T HA 0.680 5.032 4.350 0.003 0.000 0.309 595 T C -0.901 173.618 174.700 -0.302 0.000 1.208 595 T CA -0.484 61.595 62.100 -0.035 0.000 1.016 595 T CB 1.855 70.544 68.868 -0.299 0.000 1.192 595 T HN 0.645 nan 8.240 nan 0.000 0.491 596 F N 0.048 120.069 119.950 0.118 0.000 1.975 596 F HA 0.377 4.906 4.527 0.003 0.000 0.259 596 F C 1.321 177.145 175.800 0.039 0.000 1.011 596 F CA -0.283 57.736 58.000 0.033 0.000 1.196 596 F CB 0.607 39.586 39.000 -0.034 0.000 1.427 596 F HN 0.442 nan 8.300 nan 0.000 0.669 597 E N -0.533 119.865 120.200 0.329 0.000 4.072 597 E HA 0.332 4.684 4.350 0.003 0.000 0.247 597 E C -0.475 176.368 176.600 0.406 0.000 1.033 597 E CA -0.163 56.481 56.400 0.407 0.000 1.019 597 E CB 0.289 30.360 29.700 0.619 0.000 2.662 597 E HN -0.210 nan 8.360 nan 0.000 0.514 598 S N 0.331 116.386 115.700 0.593 0.000 2.790 598 S HA 0.650 5.122 4.470 0.003 0.000 0.202 598 S C -1.036 173.618 174.600 0.089 0.000 1.383 598 S CA -0.224 58.046 58.200 0.116 0.000 1.026 598 S CB 0.129 63.278 63.200 -0.085 0.000 1.253 598 S HN 0.249 nan 8.310 nan 0.000 0.489 599 S N 1.721 117.488 115.700 0.111 0.000 2.709 599 S HA 0.152 4.624 4.470 0.003 0.000 0.305 599 S C -1.578 172.819 174.600 -0.338 0.000 0.974 599 S CA -0.671 57.476 58.200 -0.088 0.000 0.837 599 S CB 0.408 63.513 63.200 -0.160 0.000 1.032 599 S HN 0.657 nan 8.310 nan 0.000 0.461 600 H N 2.406 121.325 119.070 -0.252 0.000 2.482 600 H HA 0.455 5.013 4.556 0.003 0.000 0.344 600 H C -1.052 174.126 175.328 -0.250 0.000 1.151 600 H CA 0.015 55.972 56.048 -0.151 0.000 1.300 600 H CB 0.930 30.680 29.762 -0.020 0.000 1.494 600 H HN 0.550 nan 8.280 nan 0.000 0.542 601 Y N 1.086 121.532 120.300 0.243 0.000 2.409 601 Y HA 0.300 4.852 4.550 0.004 0.000 0.343 601 Y C -0.305 175.724 175.900 0.216 0.000 0.973 601 Y CA -0.870 57.367 58.100 0.229 0.000 1.064 601 Y CB 2.039 40.644 38.460 0.242 0.000 1.207 601 Y HN 0.377 nan 8.280 nan 0.000 0.452 602 L N 4.777 126.240 121.223 0.400 0.000 2.381 602 L HA 0.811 5.153 4.340 0.003 0.000 0.274 602 L C -2.123 174.974 176.870 0.379 0.000 0.988 602 L CA -0.648 54.390 54.840 0.331 0.000 0.824 602 L CB 1.016 43.234 42.059 0.265 0.000 1.263 602 L HN 0.553 nan 8.230 nan 0.000 0.410 603 L N 5.090 126.503 121.223 0.316 0.000 2.370 603 L HA 0.676 5.018 4.340 0.003 0.000 0.266 603 L C -0.872 176.163 176.870 0.275 0.000 1.002 603 L CA -0.460 54.578 54.840 0.330 0.000 0.818 603 L CB 1.882 44.105 42.059 0.274 0.000 1.325 603 L HN 0.675 nan 8.230 nan 0.000 0.418 604 C N 2.057 121.543 119.300 0.309 0.000 2.478 604 C HA 0.863 5.325 4.460 0.003 0.000 0.334 604 C C 0.172 175.300 174.990 0.231 0.000 1.106 604 C CA -0.561 58.595 59.018 0.231 0.000 1.363 604 C CB -0.135 27.720 27.740 0.192 0.000 1.941 604 C HN 0.977 nan 8.230 nan 0.000 0.436 605 A N 6.716 129.628 122.820 0.153 0.000 2.363 605 A HA 0.725 5.047 4.320 0.003 0.000 0.270 605 A C -0.355 177.275 177.584 0.077 0.000 1.121 605 A CA -0.142 51.969 52.037 0.123 0.000 0.800 605 A CB 0.376 19.419 19.000 0.072 0.000 1.052 605 A HN 0.935 nan 8.150 nan 0.000 0.493 606 L N 1.757 123.036 121.223 0.092 0.000 2.335 606 L HA 0.590 4.933 4.340 0.003 0.000 0.268 606 L C 1.565 178.438 176.870 0.005 0.000 1.016 606 L CA -0.599 54.257 54.840 0.027 0.000 0.805 606 L CB 1.240 43.334 42.059 0.058 0.000 1.311 606 L HN 0.776 nan 8.230 nan 0.000 0.456 607 G N -0.686 108.094 108.800 -0.034 0.000 2.920 607 G HA2 -0.105 3.857 3.960 0.003 0.000 0.208 607 G HA3 -0.105 3.857 3.960 0.003 0.000 0.208 607 G C 0.517 175.407 174.900 -0.018 0.000 1.159 607 G CA 0.164 45.240 45.100 -0.039 0.000 0.784 607 G HN 0.793 nan 8.290 nan 0.000 0.535 608 D N -0.741 119.664 120.400 0.007 0.000 2.325 608 D HA 0.233 4.875 4.640 0.003 0.000 0.234 608 D C 1.713 178.027 176.300 0.022 0.000 1.122 608 D CA 0.212 54.223 54.000 0.018 0.000 0.850 608 D CB -0.349 40.475 40.800 0.041 0.000 0.921 608 D HN 0.304 nan 8.370 nan 0.000 0.513 609 G N -0.573 108.235 108.800 0.014 0.000 2.253 609 G HA2 -0.207 3.755 3.960 0.003 0.000 0.251 609 G HA3 -0.207 3.755 3.960 0.003 0.000 0.251 609 G C 0.505 175.423 174.900 0.029 0.000 0.998 609 G CA 0.138 45.241 45.100 0.005 0.000 0.621 609 G HN 0.862 nan 8.290 nan 0.000 0.524 610 A N -0.249 122.614 122.820 0.071 0.000 2.282 610 A HA 0.896 5.218 4.320 0.003 0.000 0.319 610 A C -0.241 177.449 177.584 0.175 0.000 1.121 610 A CA 0.018 52.114 52.037 0.097 0.000 0.836 610 A CB 1.417 20.471 19.000 0.091 0.000 1.146 610 A HN 1.435 nan 8.150 nan 0.000 0.494 611 L N 0.554 121.883 121.223 0.177 0.000 2.401 611 L HA 0.771 5.114 4.340 0.003 0.000 0.266 611 L C -1.840 175.198 176.870 0.280 0.000 0.991 611 L CA -0.649 54.369 54.840 0.297 0.000 0.818 611 L CB 1.596 43.815 42.059 0.267 0.000 1.321 611 L HN 0.636 nan 8.230 nan 0.000 0.413 612 F N 3.684 123.756 119.950 0.203 0.000 2.443 612 F HA 0.522 5.051 4.527 0.003 0.000 0.335 612 F C -0.531 175.401 175.800 0.220 0.000 1.104 612 F CA -0.475 57.601 58.000 0.126 0.000 1.013 612 F CB 1.389 40.525 39.000 0.226 0.000 1.136 612 F HN 0.289 nan 8.300 nan 0.000 0.470 613 Y N 0.897 121.204 120.300 0.012 0.000 2.391 613 Y HA 0.836 5.388 4.550 0.003 0.000 0.341 613 Y C -1.697 173.987 175.900 -0.360 0.000 0.965 613 Y CA -2.254 55.836 58.100 -0.017 0.000 1.067 613 Y CB 1.151 39.606 38.460 -0.009 0.000 1.199 613 Y HN 0.405 nan 8.280 nan 0.000 0.450 614 F N 0.643 120.777 119.950 0.307 0.000 2.626 614 F HA 0.794 5.323 4.527 0.003 0.000 0.311 614 F C 0.172 176.118 175.800 0.243 0.000 1.088 614 F CA -1.446 56.686 58.000 0.221 0.000 0.949 614 F CB 2.743 41.844 39.000 0.169 0.000 1.322 614 F HN 0.849 nan 8.300 nan 0.000 0.461 615 G N 1.975 110.992 108.800 0.362 0.000 2.502 615 G HA2 0.566 4.528 3.960 0.003 0.000 0.311 615 G HA3 0.566 4.528 3.960 0.003 0.000 0.311 615 G C -1.378 173.615 174.900 0.154 0.000 1.270 615 G CA -0.352 44.874 45.100 0.210 0.000 0.948 615 G HN 0.504 nan 8.290 nan 0.000 0.487 616 L N 2.023 123.323 121.223 0.129 0.000 2.891 616 L HA 0.658 5.000 4.340 0.003 0.000 0.216 616 L C -0.222 176.676 176.870 0.046 0.000 1.209 616 L CA -0.866 54.033 54.840 0.097 0.000 0.957 616 L CB 0.939 43.066 42.059 0.113 0.000 1.876 616 L HN 0.474 nan 8.230 nan 0.000 0.532 617 N N 0.570 119.272 118.700 0.004 0.000 2.699 617 N HA 0.227 4.969 4.740 0.003 0.000 0.271 617 N C 0.682 176.112 175.510 -0.133 0.000 1.216 617 N CA -0.039 52.981 53.050 -0.050 0.000 0.844 617 N CB 1.174 39.644 38.487 -0.027 0.000 1.462 617 N HN 0.650 nan 8.380 nan 0.000 0.555 618 I N -1.004 119.379 120.570 -0.312 0.000 2.300 618 I HA -0.322 3.850 4.170 0.003 0.000 0.252 618 I C 1.504 177.516 176.117 -0.174 0.000 1.119 618 I CA 1.449 62.520 61.300 -0.380 0.000 1.384 618 I CB -0.118 37.526 38.000 -0.594 0.000 1.062 618 I HN 0.309 nan 8.210 nan 0.000 0.426 619 E N 0.930 121.059 120.200 -0.118 0.000 2.046 619 E HA -0.048 4.304 4.350 0.003 0.000 0.199 619 E C 2.090 178.661 176.600 -0.048 0.000 0.948 619 E CA 1.401 57.760 56.400 -0.067 0.000 0.876 619 E CB -0.911 28.761 29.700 -0.048 0.000 0.901 619 E HN 0.364 nan 8.360 nan 0.000 0.479 620 T N -0.511 114.020 114.554 -0.038 0.000 2.559 620 T HA 0.128 4.480 4.350 0.003 0.000 0.251 620 T C 0.720 175.410 174.700 -0.017 0.000 1.122 620 T CA 2.283 64.368 62.100 -0.025 0.000 1.231 620 T CB -0.646 68.209 68.868 -0.023 0.000 0.881 620 T HN 0.551 nan 8.240 nan 0.000 0.397 621 G N 0.849 109.642 108.800 -0.011 0.000 2.798 621 G HA2 0.090 4.053 3.960 0.003 0.000 0.658 621 G HA3 0.090 4.053 3.960 0.003 0.000 0.658 621 G C -0.689 174.222 174.900 0.018 0.000 1.148 621 G CA -0.111 44.995 45.100 0.010 0.000 1.200 621 G HN 0.614 nan 8.290 nan 0.000 0.519 622 L N 0.707 121.935 121.223 0.008 0.000 2.532 622 L HA 0.792 5.134 4.340 0.003 0.000 0.245 622 L C -0.053 176.765 176.870 -0.087 0.000 1.319 622 L CA -1.257 53.541 54.840 -0.071 0.000 1.365 622 L CB 1.629 43.622 42.059 -0.110 0.000 1.736 622 L HN 0.456 nan 8.230 nan 0.000 0.517 623 L N 0.377 121.402 121.223 -0.330 0.000 2.372 623 L HA 0.364 4.706 4.340 0.003 0.000 0.274 623 L C 0.535 177.419 176.870 0.024 0.000 0.988 623 L CA -0.280 54.441 54.840 -0.198 0.000 0.833 623 L CB 1.838 43.536 42.059 -0.601 0.000 1.236 623 L HN 0.819 nan 8.230 nan 0.000 0.410 624 S N 3.705 119.554 115.700 0.248 0.000 2.227 624 S HA 0.066 4.538 4.470 0.003 0.000 0.173 624 S C 0.286 175.052 174.600 0.277 0.000 1.372 624 S CA 0.755 59.121 58.200 0.277 0.000 2.325 624 S CB 0.076 63.489 63.200 0.355 0.000 0.475 624 S HN 0.753 nan 8.310 nan 0.000 0.351 625 D N 0.151 120.710 120.400 0.265 0.000 3.519 625 D HA 0.506 5.148 4.640 0.003 0.000 0.203 625 D C -0.061 176.258 176.300 0.031 0.000 1.117 625 D CA -0.268 53.784 54.000 0.088 0.000 1.295 625 D CB 0.166 40.928 40.800 -0.062 0.000 0.943 625 D HN 0.512 nan 8.370 nan 0.000 0.220 626 R N -0.134 120.106 120.500 -0.433 0.000 5.523 626 R HA 0.158 4.500 4.340 0.003 0.000 0.269 626 R C -1.726 174.243 176.300 -0.552 0.000 0.936 626 R CA -0.266 55.502 56.100 -0.553 0.000 1.517 626 R CB 0.323 30.662 30.300 0.066 0.000 1.223 626 R HN 0.266 nan 8.270 nan 0.000 0.672 627 K N 2.407 122.263 120.400 -0.906 0.000 2.466 627 K HA 0.457 4.779 4.320 0.003 0.000 0.277 627 K C -1.414 174.617 176.600 -0.948 0.000 1.039 627 K CA -1.117 54.667 56.287 -0.838 0.000 0.904 627 K CB 2.480 34.523 32.500 -0.761 0.000 1.506 627 K HN 0.406 nan 8.250 nan 0.000 0.441 628 K N 1.642 121.677 120.400 -0.609 0.000 2.687 628 K HA 0.246 4.568 4.320 0.003 0.000 0.249 628 K C -0.516 175.983 176.600 -0.169 0.000 0.994 628 K CA -0.501 55.412 56.287 -0.624 0.000 0.913 628 K CB 1.189 33.205 32.500 -0.806 0.000 1.202 628 K HN 0.536 nan 8.250 nan 0.000 0.460 629 V N 0.243 120.180 119.914 0.037 0.000 4.175 629 V HA 0.628 4.750 4.120 0.003 0.000 0.272 629 V C 0.314 176.441 176.094 0.056 0.000 1.171 629 V CA -0.039 62.339 62.300 0.130 0.000 0.803 629 V CB 1.260 33.262 31.823 0.299 0.000 1.223 629 V HN 0.817 nan 8.190 nan 0.000 0.413 630 T N -0.183 114.408 114.554 0.062 0.000 4.200 630 T HA 0.320 4.672 4.350 0.003 0.000 0.210 630 T C -0.192 174.508 174.700 -0.000 0.000 0.898 630 T CA -0.452 61.664 62.100 0.027 0.000 1.549 630 T CB -0.928 67.953 68.868 0.022 0.000 0.757 630 T HN 0.594 nan 8.240 nan 0.000 0.613 631 L N 0.816 122.024 121.223 -0.026 0.000 2.361 631 L HA 0.456 4.798 4.340 0.003 0.000 0.161 631 L C 1.819 178.654 176.870 -0.058 0.000 0.893 631 L CA -0.186 54.607 54.840 -0.078 0.000 1.513 631 L CB -0.741 41.236 42.059 -0.137 0.000 1.826 631 L HN 0.535 nan 8.230 nan 0.000 0.453 632 G N -0.509 108.246 108.800 -0.076 0.000 2.340 632 G HA2 0.167 4.129 3.960 0.003 0.000 0.245 632 G HA3 0.167 4.129 3.960 0.003 0.000 0.245 632 G C 1.144 176.018 174.900 -0.042 0.000 1.294 632 G CA 0.330 45.393 45.100 -0.061 0.000 0.896 632 G HN 0.775 nan 8.290 nan 0.000 0.522 633 T N 1.173 115.708 114.554 -0.032 0.000 2.602 633 T HA -0.263 4.089 4.350 0.003 0.000 0.264 633 T C 1.234 175.919 174.700 -0.025 0.000 1.085 633 T CA 1.597 63.685 62.100 -0.021 0.000 1.164 633 T CB -0.551 68.306 68.868 -0.019 0.000 0.860 633 T HN 0.478 nan 8.240 nan 0.000 0.442 634 Q N 2.906 122.684 119.800 -0.037 0.000 2.369 634 Q HA 0.208 4.551 4.340 0.003 0.000 0.295 634 Q C -2.191 173.780 176.000 -0.048 0.000 1.075 634 Q CA -1.559 54.217 55.803 -0.045 0.000 0.941 634 Q CB -0.297 28.404 28.738 -0.061 0.000 1.260 634 Q HN 0.454 nan 8.270 nan 0.000 0.417 635 P HA -0.058 nan 4.420 nan 0.000 0.266 635 P C -0.573 176.690 177.300 -0.062 0.000 1.193 635 P CA 0.396 63.469 63.100 -0.045 0.000 0.770 635 P CB 0.356 32.028 31.700 -0.046 0.000 0.836 636 T N 1.866 116.395 114.554 -0.042 0.000 2.771 636 T HA 0.324 4.676 4.350 0.003 0.000 0.281 636 T C -0.091 174.587 174.700 -0.037 0.000 0.982 636 T CA -0.445 61.625 62.100 -0.051 0.000 0.978 636 T CB 0.684 69.531 68.868 -0.034 0.000 0.930 636 T HN 0.043 nan 8.240 nan 0.000 0.447 637 V N 5.487 125.364 119.914 -0.062 0.000 2.318 637 V HA 0.340 4.462 4.120 0.003 0.000 0.271 637 V C 0.135 176.237 176.094 0.013 0.000 1.030 637 V CA -0.784 61.498 62.300 -0.030 0.000 0.844 637 V CB 0.175 31.945 31.823 -0.088 0.000 1.015 637 V HN 0.723 nan 8.190 nan 0.000 0.460 638 L N 5.274 126.522 121.223 0.043 0.000 2.371 638 L HA 0.748 5.090 4.340 0.003 0.000 0.272 638 L C 0.201 177.114 176.870 0.073 0.000 1.124 638 L CA 0.060 54.941 54.840 0.070 0.000 0.816 638 L CB 0.928 43.036 42.059 0.082 0.000 1.129 638 L HN 0.670 nan 8.230 nan 0.000 0.448 639 R N 0.579 121.139 120.500 0.099 0.000 2.728 639 R HA 0.573 4.916 4.340 0.003 0.000 0.274 639 R C -1.638 174.734 176.300 0.120 0.000 1.030 639 R CA -0.515 55.630 56.100 0.075 0.000 0.876 639 R CB 1.797 32.100 30.300 0.005 0.000 1.259 639 R HN 0.513 nan 8.270 nan 0.000 0.468 640 T N 2.291 116.884 114.554 0.066 0.000 2.861 640 T HA 0.647 4.999 4.350 0.003 0.000 0.287 640 T C -1.185 173.535 174.700 0.034 0.000 1.003 640 T CA -0.393 61.707 62.100 -0.001 0.000 0.977 640 T CB 0.367 69.166 68.868 -0.115 0.000 0.996 640 T HN 0.358 nan 8.240 nan 0.000 0.448 641 F N 0.585 120.524 119.950 -0.019 0.000 2.541 641 F HA 0.773 5.302 4.527 0.004 0.000 0.331 641 F C 0.183 175.983 175.800 -0.000 0.000 1.057 641 F CA -1.703 56.282 58.000 -0.025 0.000 0.975 641 F CB 0.998 39.992 39.000 -0.009 0.000 1.246 641 F HN 0.367 nan 8.300 nan 0.000 0.484 642 R N 1.245 121.849 120.500 0.173 0.000 2.221 642 R HA 0.477 4.819 4.340 0.003 0.000 0.327 642 R C -0.291 176.143 176.300 0.225 0.000 1.033 642 R CA 0.420 56.591 56.100 0.118 0.000 0.887 642 R CB 0.922 31.286 30.300 0.107 0.000 1.057 642 R HN 1.089 nan 8.270 nan 0.000 0.455 643 S N 5.031 120.835 115.700 0.174 0.000 3.884 643 S HA 0.202 4.674 4.470 0.003 0.000 0.174 643 S C 0.828 175.529 174.600 0.167 0.000 0.872 643 S CA -0.044 58.307 58.200 0.252 0.000 1.015 643 S CB -0.456 62.995 63.200 0.419 0.000 1.395 643 S HN 0.595 nan 8.310 nan 0.000 0.737 644 L N 0.315 121.624 121.223 0.144 0.000 2.825 644 L HA 0.681 5.023 4.340 0.003 0.000 0.222 644 L C 1.367 178.284 176.870 0.078 0.000 1.823 644 L CA 0.137 55.041 54.840 0.106 0.000 2.706 644 L CB 0.230 42.353 42.059 0.107 0.000 2.541 644 L HN 0.478 nan 8.230 nan 0.000 0.690 645 S N -1.516 114.230 115.700 0.077 0.000 2.524 645 S HA 0.057 4.529 4.470 0.003 0.000 0.215 645 S C 1.006 175.652 174.600 0.076 0.000 0.986 645 S CA 0.369 58.607 58.200 0.064 0.000 0.911 645 S CB -0.571 62.665 63.200 0.060 0.000 0.805 645 S HN 0.791 nan 8.310 nan 0.000 0.501 646 T N 0.818 115.439 114.554 0.112 0.000 3.374 646 T HA 0.288 4.640 4.350 0.003 0.000 0.267 646 T C 0.309 175.124 174.700 0.192 0.000 0.996 646 T CA 0.011 62.224 62.100 0.187 0.000 0.977 646 T CB -0.631 68.381 68.868 0.241 0.000 1.149 646 T HN 0.395 nan 8.240 nan 0.000 0.517 647 T N 1.587 116.145 114.554 0.006 0.000 2.830 647 T HA 0.021 4.373 4.350 0.003 0.000 0.282 647 T C 0.140 174.639 174.700 -0.335 0.000 1.024 647 T CA 0.094 62.097 62.100 -0.162 0.000 1.144 647 T CB 0.033 68.796 68.868 -0.176 0.000 1.035 647 T HN 0.567 nan 8.240 nan 0.000 0.507 648 N N 1.770 120.020 118.700 -0.751 0.000 2.906 648 N HA 0.500 5.242 4.740 0.003 0.000 0.327 648 N C -1.026 174.101 175.510 -0.637 0.000 1.344 648 N CA -0.847 51.895 53.050 -0.513 0.000 0.823 648 N CB 1.646 39.880 38.487 -0.421 0.000 1.351 648 N HN 0.480 nan 8.380 nan 0.000 0.604 649 V N 1.648 121.533 119.914 -0.049 0.000 2.328 649 V HA 0.288 4.410 4.120 0.003 0.000 0.278 649 V C -0.684 175.601 176.094 0.318 0.000 1.021 649 V CA -0.559 61.828 62.300 0.145 0.000 0.838 649 V CB 0.005 31.907 31.823 0.131 0.000 0.999 649 V HN 0.453 nan 8.190 nan 0.000 0.447 650 F N 4.353 124.490 119.950 0.311 0.000 2.410 650 F HA 0.720 5.249 4.527 0.003 0.000 0.349 650 F C 0.450 176.220 175.800 -0.051 0.000 1.117 650 F CA -0.424 57.613 58.000 0.062 0.000 1.104 650 F CB 0.967 39.946 39.000 -0.035 0.000 1.122 650 F HN 0.522 nan 8.300 nan 0.000 0.483 651 A N 5.534 128.314 122.820 -0.067 0.000 2.304 651 A HA 0.546 4.869 4.320 0.003 0.000 0.314 651 A C -1.263 176.332 177.584 0.018 0.000 1.187 651 A CA -0.550 51.476 52.037 -0.019 0.000 0.810 651 A CB 0.301 19.186 19.000 -0.191 0.000 1.183 651 A HN 0.845 nan 8.150 nan 0.000 0.487 652 C N 2.725 122.074 119.300 0.081 0.000 2.200 652 C HA 0.675 5.137 4.460 0.003 0.000 0.328 652 C C 1.134 176.073 174.990 -0.086 0.000 1.148 652 C CA -0.211 58.824 59.018 0.029 0.000 1.624 652 C CB -1.014 26.677 27.740 -0.081 0.000 2.167 652 C HN 0.884 nan 8.230 nan 0.000 0.484 653 S N 1.030 116.676 115.700 -0.091 0.000 2.837 653 S HA 0.328 4.800 4.470 0.003 0.000 0.314 653 S C 1.036 175.577 174.600 -0.098 0.000 1.098 653 S CA -0.483 57.656 58.200 -0.103 0.000 0.903 653 S CB 0.863 64.001 63.200 -0.104 0.000 1.310 653 S HN 0.826 nan 8.310 nan 0.000 0.581 654 D N 0.387 120.735 120.400 -0.087 0.000 2.264 654 D HA -0.099 4.543 4.640 0.003 0.000 0.208 654 D C 0.630 176.884 176.300 -0.075 0.000 0.966 654 D CA 0.663 54.618 54.000 -0.075 0.000 0.864 654 D CB 0.142 40.906 40.800 -0.061 0.000 0.933 654 D HN 0.141 nan 8.370 nan 0.000 0.499 655 R N 1.551 121.998 120.500 -0.090 0.000 2.664 655 R HA 0.229 4.572 4.340 0.003 0.000 0.281 655 R C -2.677 173.533 176.300 -0.150 0.000 1.383 655 R CA -1.732 54.304 56.100 -0.106 0.000 1.563 655 R CB 1.126 31.366 30.300 -0.100 0.000 1.131 655 R HN -0.034 nan 8.270 nan 0.000 0.599 656 P HA 0.010 nan 4.420 nan 0.000 0.265 656 P C -0.900 176.175 177.300 -0.374 0.000 1.187 656 P CA 0.342 63.317 63.100 -0.208 0.000 0.766 656 P CB 0.974 32.612 31.700 -0.102 0.000 0.820 657 T N 1.357 115.558 114.554 -0.589 0.000 3.105 657 T HA 0.258 4.610 4.350 0.003 0.000 0.321 657 T C -0.470 173.779 174.700 -0.750 0.000 1.135 657 T CA -0.437 61.320 62.100 -0.572 0.000 1.053 657 T CB 1.239 69.810 68.868 -0.495 0.000 1.133 657 T HN 0.050 nan 8.240 nan 0.000 0.463 658 V N 3.999 123.540 119.914 -0.620 0.000 2.567 658 V HA 0.521 4.643 4.120 0.003 0.000 0.289 658 V C -0.128 175.749 176.094 -0.361 0.000 1.049 658 V CA -0.702 61.278 62.300 -0.533 0.000 0.969 658 V CB 1.340 32.852 31.823 -0.519 0.000 0.995 658 V HN 0.740 nan 8.190 nan 0.000 0.471 659 I N 5.421 125.828 120.570 -0.272 0.000 2.371 659 I HA 0.376 4.548 4.170 0.003 0.000 0.282 659 I C -0.507 175.503 176.117 -0.178 0.000 1.031 659 I CA -0.221 60.996 61.300 -0.139 0.000 1.180 659 I CB 0.442 38.392 38.000 -0.084 0.000 1.336 659 I HN 0.548 nan 8.210 nan 0.000 0.467 660 Y N 3.186 123.423 120.300 -0.104 0.000 2.956 660 Y HA 0.413 4.965 4.550 0.003 0.000 0.418 660 Y C 0.806 176.422 175.900 -0.472 0.000 1.266 660 Y CA -0.341 57.641 58.100 -0.197 0.000 1.522 660 Y CB 0.812 39.231 38.460 -0.068 0.000 1.524 660 Y HN 0.327 nan 8.280 nan 0.000 0.799 661 S N -0.621 114.998 115.700 -0.134 0.000 2.677 661 S HA 0.266 4.738 4.470 0.003 0.000 0.283 661 S C -0.264 174.253 174.600 -0.138 0.000 1.159 661 S CA -0.755 57.270 58.200 -0.291 0.000 1.001 661 S CB 1.752 64.717 63.200 -0.393 0.000 1.032 661 S HN 0.539 nan 8.310 nan 0.000 0.487 662 S N 2.613 118.239 115.700 -0.122 0.000 2.371 662 S HA 0.080 4.552 4.470 0.003 0.000 0.159 662 S C 1.587 176.173 174.600 -0.023 0.000 1.281 662 S CA 0.441 58.604 58.200 -0.062 0.000 2.161 662 S CB -0.295 62.866 63.200 -0.064 0.000 0.406 662 S HN 0.691 nan 8.310 nan 0.000 0.374 663 N N 0.849 119.551 118.700 0.002 0.000 2.025 663 N HA -0.094 4.649 4.740 0.003 0.000 0.194 663 N C 1.233 176.811 175.510 0.114 0.000 1.044 663 N CA 1.803 54.880 53.050 0.045 0.000 0.851 663 N CB -0.394 38.115 38.487 0.038 0.000 1.036 663 N HN 0.704 nan 8.380 nan 0.000 0.422 664 H N -0.801 118.278 119.070 0.015 0.000 3.566 664 H HA 0.242 4.800 4.556 0.003 0.000 0.259 664 H C 0.417 175.774 175.328 0.049 0.000 1.184 664 H CA -0.166 55.909 56.048 0.046 0.000 1.107 664 H CB 0.767 30.571 29.762 0.071 0.000 1.726 664 H HN 0.043 nan 8.280 nan 0.000 0.743 665 K N 0.696 121.112 120.400 0.026 0.000 2.088 665 K HA 0.293 4.615 4.320 0.003 0.000 0.201 665 K C -0.235 176.250 176.600 -0.191 0.000 1.054 665 K CA 0.538 56.812 56.287 -0.023 0.000 1.025 665 K CB 0.388 32.861 32.500 -0.044 0.000 1.258 665 K HN 0.003 nan 8.250 nan 0.000 0.456 666 L N 0.371 121.463 121.223 -0.218 0.000 3.586 666 L HA 0.116 4.458 4.340 0.003 0.000 0.267 666 L C -1.162 175.615 176.870 -0.157 0.000 0.980 666 L CA -0.631 54.031 54.840 -0.296 0.000 1.199 666 L CB 1.411 43.248 42.059 -0.370 0.000 1.946 666 L HN 0.037 nan 8.230 nan 0.000 0.595 667 V N 2.170 122.063 119.914 -0.036 0.000 2.881 667 V HA 0.272 4.394 4.120 0.003 0.000 0.303 667 V C -0.205 176.055 176.094 0.277 0.000 1.070 667 V CA 0.211 62.564 62.300 0.089 0.000 1.074 667 V CB 1.238 33.144 31.823 0.138 0.000 1.012 667 V HN 0.517 nan 8.190 nan 0.000 0.482 668 F N 1.429 121.317 119.950 -0.103 0.000 2.679 668 F HA 0.343 4.872 4.527 0.003 0.000 0.354 668 F C 0.709 176.445 175.800 -0.106 0.000 1.423 668 F CA -0.705 57.216 58.000 -0.132 0.000 1.141 668 F CB 0.449 39.351 39.000 -0.164 0.000 1.168 668 F HN 0.447 nan 8.300 nan 0.000 0.530 669 S N -0.091 115.619 115.700 0.016 0.000 2.610 669 S HA 0.358 4.830 4.470 0.003 0.000 0.273 669 S C 0.211 174.737 174.600 -0.123 0.000 1.274 669 S CA -0.938 57.246 58.200 -0.026 0.000 1.023 669 S CB 1.058 64.275 63.200 0.029 0.000 0.962 669 S HN 0.225 nan 8.310 nan 0.000 0.523 670 N N 0.826 119.455 118.700 -0.118 0.000 2.479 670 N HA 0.171 4.913 4.740 0.003 0.000 0.257 670 N C -0.700 174.708 175.510 -0.171 0.000 1.232 670 N CA -0.015 52.941 53.050 -0.156 0.000 0.920 670 N CB 0.587 39.005 38.487 -0.115 0.000 1.105 670 N HN 0.337 nan 8.380 nan 0.000 0.444 671 V N 2.368 122.143 119.914 -0.232 0.000 2.427 671 V HA 0.129 4.251 4.120 0.003 0.000 0.286 671 V C 0.426 176.438 176.094 -0.135 0.000 1.034 671 V CA -0.863 61.305 62.300 -0.219 0.000 0.893 671 V CB 1.213 32.818 31.823 -0.364 0.000 0.982 671 V HN 0.497 nan 8.190 nan 0.000 0.452 672 N N 5.711 124.354 118.700 -0.095 0.000 3.050 672 N HA 0.403 5.145 4.740 0.003 0.000 0.289 672 N C -0.815 174.668 175.510 -0.045 0.000 1.209 672 N CA 0.291 53.305 53.050 -0.060 0.000 1.154 672 N CB -0.150 38.313 38.487 -0.040 0.000 1.444 672 N HN 0.533 nan 8.380 nan 0.000 0.529 673 L N -0.141 121.054 121.223 -0.048 0.000 2.469 673 L HA 0.321 4.663 4.340 0.003 0.000 0.256 673 L C 1.307 178.156 176.870 -0.034 0.000 1.006 673 L CA -0.814 54.007 54.840 -0.031 0.000 0.832 673 L CB 1.934 43.982 42.059 -0.017 0.000 1.421 673 L HN -0.024 nan 8.230 nan 0.000 0.410 674 K N 0.874 121.258 120.400 -0.027 0.000 1.977 674 K HA -0.042 4.280 4.320 0.003 0.000 0.218 674 K C 0.130 176.707 176.600 -0.038 0.000 1.051 674 K CA 1.829 58.099 56.287 -0.028 0.000 0.953 674 K CB 0.171 32.657 32.500 -0.023 0.000 0.727 674 K HN 0.598 nan 8.250 nan 0.000 0.445 675 E N -0.792 119.384 120.200 -0.041 0.000 2.451 675 E HA 0.221 4.573 4.350 0.003 0.000 0.295 675 E C -1.946 174.621 176.600 -0.055 0.000 0.966 675 E CA -0.588 55.780 56.400 -0.052 0.000 0.808 675 E CB 1.924 31.590 29.700 -0.057 0.000 1.242 675 E HN 0.008 nan 8.360 nan 0.000 0.412 676 V N 4.216 124.097 119.914 -0.057 0.000 2.540 676 V HA 0.319 4.441 4.120 0.003 0.000 0.302 676 V C 0.576 176.576 176.094 -0.157 0.000 1.035 676 V CA -0.701 61.555 62.300 -0.072 0.000 0.873 676 V CB 1.727 33.563 31.823 0.021 0.000 0.992 676 V HN 0.670 nan 8.190 nan 0.000 0.428 677 N N 1.999 120.560 118.700 -0.230 0.000 2.319 677 N HA 0.153 4.895 4.740 0.003 0.000 0.189 677 N C -0.513 174.485 175.510 -0.854 0.000 1.042 677 N CA 1.180 53.942 53.050 -0.479 0.000 0.879 677 N CB 0.278 38.567 38.487 -0.330 0.000 1.052 677 N HN 0.659 nan 8.380 nan 0.000 0.446 678 Y N -0.865 119.322 120.300 -0.189 0.000 2.609 678 Y HA 0.600 5.152 4.550 0.004 0.000 0.342 678 Y C 0.079 175.775 175.900 -0.341 0.000 1.058 678 Y CA -1.053 56.890 58.100 -0.262 0.000 1.055 678 Y CB 1.759 40.035 38.460 -0.307 0.000 1.292 678 Y HN -0.150 nan 8.280 nan 0.000 0.476 679 M N 2.769 122.207 119.600 -0.270 0.000 2.414 679 M HA 0.685 5.167 4.480 0.003 0.000 0.287 679 M C -2.202 173.865 176.300 -0.389 0.000 1.181 679 M CA -0.640 54.396 55.300 -0.441 0.000 0.933 679 M CB 1.546 33.635 32.600 -0.853 0.000 1.732 679 M HN 0.969 nan 8.290 nan 0.000 0.486 680 C N 1.783 120.873 119.300 -0.350 0.000 3.082 680 C HA 0.871 5.333 4.460 0.003 0.000 0.324 680 C C -3.000 171.865 174.990 -0.207 0.000 1.210 680 C CA -1.410 57.446 59.018 -0.270 0.000 1.366 680 C CB 1.647 29.206 27.740 -0.302 0.000 1.756 680 C HN 0.708 nan 8.230 nan 0.000 0.485 681 P HA 0.466 nan 4.420 nan 0.000 0.268 681 P C -0.616 176.606 177.300 -0.130 0.000 1.205 681 P CA 0.270 63.331 63.100 -0.066 0.000 0.771 681 P CB 0.509 32.211 31.700 0.004 0.000 0.858 682 L N 2.983 124.167 121.223 -0.064 0.000 2.503 682 L HA 0.682 5.024 4.340 0.003 0.000 0.248 682 L C -0.491 176.463 176.870 0.141 0.000 1.126 682 L CA -0.338 54.479 54.840 -0.039 0.000 0.929 682 L CB 2.081 44.099 42.059 -0.068 0.000 1.544 682 L HN 0.320 nan 8.230 nan 0.000 0.404 683 N N -0.472 118.380 118.700 0.253 0.000 3.503 683 N HA 0.033 4.775 4.740 0.003 0.000 0.145 683 N C -1.290 174.360 175.510 0.233 0.000 1.029 683 N CA 0.383 53.587 53.050 0.257 0.000 2.824 683 N CB -0.110 38.542 38.487 0.275 0.000 1.282 683 N HN 0.491 nan 8.380 nan 0.000 0.780 684 S N 0.058 115.908 115.700 0.249 0.000 2.606 684 S HA 0.121 4.593 4.470 0.003 0.000 0.257 684 S C -0.274 174.395 174.600 0.115 0.000 1.327 684 S CA 0.016 58.330 58.200 0.190 0.000 0.984 684 S CB 0.255 63.592 63.200 0.228 0.000 0.941 684 S HN 0.381 nan 8.310 nan 0.000 0.576 685 D N 0.203 120.642 120.400 0.065 0.000 2.470 685 D HA 0.430 5.072 4.640 0.003 0.000 0.226 685 D C 0.683 176.968 176.300 -0.025 0.000 1.196 685 D CA 0.126 54.138 54.000 0.020 0.000 0.979 685 D CB -0.268 40.537 40.800 0.009 0.000 1.059 685 D HN 0.685 nan 8.370 nan 0.000 0.515 686 G N 0.979 109.734 108.800 -0.075 0.000 2.935 686 G HA2 -0.159 3.804 3.960 0.003 0.000 0.213 686 G HA3 -0.159 3.804 3.960 0.003 0.000 0.213 686 G C -0.314 174.239 174.900 -0.578 0.000 0.984 686 G CA -0.605 44.318 45.100 -0.295 0.000 0.790 686 G HN 0.298 nan 8.290 nan 0.000 0.538 687 Y N 0.691 121.053 120.300 0.103 0.000 2.903 687 Y HA 0.356 4.908 4.550 0.003 0.000 0.254 687 Y C -2.642 173.307 175.900 0.080 0.000 0.938 687 Y CA -1.684 56.483 58.100 0.112 0.000 1.148 687 Y CB 0.811 39.320 38.460 0.082 0.000 1.178 687 Y HN 0.072 nan 8.280 nan 0.000 0.595 688 P HA -0.004 nan 4.420 nan 0.000 0.272 688 P C 0.547 177.926 177.300 0.131 0.000 1.254 688 P CA 0.079 63.267 63.100 0.146 0.000 0.795 688 P CB 0.615 32.380 31.700 0.109 0.000 1.022 689 D N -0.646 119.824 120.400 0.116 0.000 2.827 689 D HA -0.190 4.452 4.640 0.003 0.000 0.217 689 D C -0.453 175.887 176.300 0.067 0.000 1.233 689 D CA 0.801 54.861 54.000 0.101 0.000 0.618 689 D CB -0.558 40.302 40.800 0.101 0.000 0.984 689 D HN 0.135 nan 8.370 nan 0.000 0.399 690 S N -0.307 115.424 115.700 0.053 0.000 2.617 690 S HA 0.715 5.187 4.470 0.003 0.000 0.283 690 S C 0.061 174.627 174.600 -0.057 0.000 1.189 690 S CA -0.776 57.407 58.200 -0.028 0.000 1.036 690 S CB 1.099 64.291 63.200 -0.014 0.000 1.014 690 S HN 0.279 nan 8.310 nan 0.000 0.522 691 L N 2.364 123.509 121.223 -0.129 0.000 2.362 691 L HA 0.795 5.137 4.340 0.003 0.000 0.271 691 L C -0.294 176.440 176.870 -0.226 0.000 1.002 691 L CA -1.019 53.719 54.840 -0.171 0.000 0.818 691 L CB 1.817 43.753 42.059 -0.205 0.000 1.298 691 L HN 0.690 nan 8.230 nan 0.000 0.420 692 A N 3.412 126.083 122.820 -0.249 0.000 2.331 692 A HA 0.883 5.205 4.320 0.003 0.000 0.320 692 A C -1.153 176.264 177.584 -0.278 0.000 1.138 692 A CA -0.378 51.513 52.037 -0.244 0.000 0.790 692 A CB 1.284 20.157 19.000 -0.211 0.000 1.206 692 A HN 0.511 nan 8.150 nan 0.000 0.470 693 L N 1.753 122.833 121.223 -0.238 0.000 2.482 693 L HA 0.620 4.962 4.340 0.003 0.000 0.269 693 L C 0.271 177.051 176.870 -0.151 0.000 0.967 693 L CA 0.053 54.748 54.840 -0.243 0.000 0.851 693 L CB 1.662 43.562 42.059 -0.265 0.000 1.242 693 L HN 0.866 nan 8.230 nan 0.000 0.404 694 A N 3.491 126.243 122.820 -0.112 0.000 2.310 694 A HA 0.796 5.118 4.320 0.003 0.000 0.299 694 A C -0.099 177.452 177.584 -0.056 0.000 1.147 694 A CA -0.422 51.584 52.037 -0.052 0.000 0.818 694 A CB 0.450 19.457 19.000 0.012 0.000 1.096 694 A HN 0.779 nan 8.150 nan 0.000 0.495 695 N N 0.797 119.469 118.700 -0.047 0.000 3.100 695 N HA 0.104 4.846 4.740 0.003 0.000 0.344 695 N C 0.492 175.976 175.510 -0.044 0.000 1.413 695 N CA -0.553 52.465 53.050 -0.054 0.000 0.752 695 N CB 0.228 38.684 38.487 -0.052 0.000 1.519 695 N HN 0.464 nan 8.380 nan 0.000 0.620 696 N N -0.661 118.011 118.700 -0.046 0.000 2.242 696 N HA -0.191 4.551 4.740 0.003 0.000 0.191 696 N C -0.734 174.755 175.510 -0.035 0.000 1.005 696 N CA 1.705 54.730 53.050 -0.041 0.000 0.877 696 N CB -0.051 38.416 38.487 -0.034 0.000 0.983 696 N HN 0.643 nan 8.380 nan 0.000 0.439 697 S N -2.674 113.011 115.700 -0.025 0.000 2.428 697 S HA 0.460 4.932 4.470 0.003 0.000 0.269 697 S C -1.179 173.419 174.600 -0.003 0.000 1.026 697 S CA -0.753 57.441 58.200 -0.011 0.000 1.019 697 S CB 0.734 63.936 63.200 0.003 0.000 1.191 697 S HN 0.012 nan 8.310 nan 0.000 0.429 698 T N 3.088 117.643 114.554 0.000 0.000 3.410 698 T HA 0.132 4.484 4.350 0.003 0.000 0.441 698 T C -1.356 173.335 174.700 -0.016 0.000 1.360 698 T CA -0.785 61.314 62.100 -0.001 0.000 1.044 698 T CB 0.361 69.224 68.868 -0.009 0.000 1.479 698 T HN 1.142 nan 8.240 nan 0.000 0.434 699 L N 4.443 125.657 121.223 -0.014 0.000 2.350 699 L HA 0.842 5.184 4.340 0.003 0.000 0.275 699 L C 0.499 177.325 176.870 -0.073 0.000 1.099 699 L CA 0.669 55.480 54.840 -0.049 0.000 0.808 699 L CB 1.022 43.053 42.059 -0.046 0.000 1.149 699 L HN 0.900 nan 8.230 nan 0.000 0.442 700 T N 3.239 117.727 114.554 -0.109 0.000 2.865 700 T HA 0.833 5.185 4.350 0.003 0.000 0.294 700 T C -0.748 173.836 174.700 -0.193 0.000 1.119 700 T CA -0.762 61.264 62.100 -0.123 0.000 1.007 700 T CB 1.841 70.659 68.868 -0.083 0.000 1.225 700 T HN 0.741 nan 8.240 nan 0.000 0.515 701 I N -2.291 118.150 120.570 -0.215 0.000 2.753 701 I HA 0.877 5.049 4.170 0.003 0.000 0.291 701 I C -0.445 175.445 176.117 -0.379 0.000 1.425 701 I CA -0.730 60.387 61.300 -0.304 0.000 1.039 701 I CB 1.208 38.938 38.000 -0.451 0.000 1.349 701 I HN 1.328 nan 8.210 nan 0.000 0.430 702 G N 2.720 111.303 108.800 -0.363 0.000 2.356 702 G HA2 0.582 4.544 3.960 0.003 0.000 0.294 702 G HA3 0.582 4.544 3.960 0.003 0.000 0.294 702 G C -0.951 173.838 174.900 -0.186 0.000 1.423 702 G CA 0.102 44.982 45.100 -0.367 0.000 0.806 702 G HN 1.136 nan 8.290 nan 0.000 0.527 703 T N -1.881 112.627 114.554 -0.077 0.000 2.852 703 T HA 0.776 5.128 4.350 0.003 0.000 0.281 703 T C -0.142 174.436 174.700 -0.202 0.000 0.993 703 T CA -0.670 61.401 62.100 -0.050 0.000 0.933 703 T CB 1.118 70.038 68.868 0.087 0.000 1.187 703 T HN 0.676 nan 8.240 nan 0.000 0.559 704 I N 1.809 122.309 120.570 -0.117 0.000 2.569 704 I HA 0.378 4.550 4.170 0.003 0.000 0.290 704 I C -0.221 175.856 176.117 -0.066 0.000 1.088 704 I CA -0.862 60.360 61.300 -0.130 0.000 1.047 704 I CB 1.798 39.762 38.000 -0.060 0.000 1.237 704 I HN 0.774 nan 8.210 nan 0.000 0.421 705 D N 3.701 124.030 120.400 -0.118 0.000 2.314 705 D HA 0.047 4.689 4.640 0.003 0.000 0.252 705 D C 0.851 177.122 176.300 -0.050 0.000 1.295 705 D CA -0.260 53.666 54.000 -0.124 0.000 0.995 705 D CB 0.957 41.587 40.800 -0.284 0.000 1.125 705 D HN 0.556 nan 8.370 nan 0.000 0.537 706 E N -0.624 119.531 120.200 -0.075 0.000 3.159 706 E HA -0.144 4.208 4.350 0.003 0.000 0.430 706 E C 0.904 177.411 176.600 -0.155 0.000 0.815 706 E CA 1.879 58.253 56.400 -0.044 0.000 2.646 706 E CB 0.057 29.805 29.700 0.080 0.000 0.799 706 E HN 0.548 nan 8.360 nan 0.000 0.510 707 I N -2.909 117.554 120.570 -0.178 0.000 2.386 707 I HA -0.072 4.100 4.170 0.003 0.000 0.296 707 I C -0.773 175.293 176.117 -0.085 0.000 0.816 707 I CA -0.314 60.751 61.300 -0.392 0.000 2.448 707 I CB -0.349 37.157 38.000 -0.825 0.000 1.797 707 I HN 0.368 nan 8.210 nan 0.000 0.443 708 Q N 3.899 123.645 119.800 -0.090 0.000 3.120 708 Q HA -0.298 4.044 4.340 0.003 0.000 0.368 708 Q C 0.448 176.453 176.000 0.008 0.000 1.306 708 Q CA 1.102 56.891 55.803 -0.024 0.000 0.806 708 Q CB 0.078 28.809 28.738 -0.013 0.000 1.338 708 Q HN 0.391 nan 8.270 nan 0.000 0.593 709 K N 1.799 122.203 120.400 0.007 0.000 2.189 709 K HA -0.143 4.179 4.320 0.003 0.000 0.207 709 K C 0.091 176.693 176.600 0.004 0.000 1.046 709 K CA 1.344 57.630 56.287 -0.002 0.000 0.928 709 K CB 0.115 32.605 32.500 -0.016 0.000 0.720 709 K HN 0.572 nan 8.250 nan 0.000 0.458 710 L N 0.373 121.603 121.223 0.013 0.000 2.362 710 L HA 0.264 4.606 4.340 0.003 0.000 0.275 710 L C -0.805 176.095 176.870 0.050 0.000 0.998 710 L CA -1.209 53.644 54.840 0.021 0.000 0.820 710 L CB 1.622 43.679 42.059 -0.003 0.000 1.270 710 L HN 0.111 nan 8.230 nan 0.000 0.415 711 H N 3.575 122.630 119.070 -0.025 0.000 2.489 711 H HA 0.573 5.131 4.556 0.003 0.000 0.322 711 H C -0.994 174.314 175.328 -0.034 0.000 1.091 711 H CA -0.212 55.820 56.048 -0.027 0.000 1.291 711 H CB 1.056 30.809 29.762 -0.015 0.000 1.436 711 H HN 0.400 nan 8.280 nan 0.000 0.480 712 I N 5.763 125.934 120.570 -0.666 0.000 2.362 712 I HA 0.317 4.489 4.170 0.003 0.000 0.289 712 I C -0.157 175.585 176.117 -0.625 0.000 0.994 712 I CA -0.651 60.353 61.300 -0.493 0.000 1.158 712 I CB 1.350 39.178 38.000 -0.287 0.000 1.315 712 I HN 0.481 nan 8.210 nan 0.000 0.451 713 R N 4.870 125.126 120.500 -0.407 0.000 2.295 713 R HA 0.545 4.887 4.340 0.003 0.000 0.324 713 R C -0.877 175.264 176.300 -0.265 0.000 0.968 713 R CA -0.227 55.715 56.100 -0.263 0.000 0.837 713 R CB 1.342 31.572 30.300 -0.116 0.000 1.133 713 R HN 0.601 nan 8.270 nan 0.000 0.450 714 T N 2.425 116.848 114.554 -0.218 0.000 2.944 714 T HA 0.410 4.762 4.350 0.003 0.000 0.284 714 T C -0.774 173.799 174.700 -0.212 0.000 1.010 714 T CA -0.496 61.472 62.100 -0.220 0.000 1.025 714 T CB 1.744 70.508 68.868 -0.174 0.000 1.079 714 T HN 0.302 nan 8.240 nan 0.000 0.516 715 V N 3.650 123.433 119.914 -0.217 0.000 2.439 715 V HA 0.288 4.410 4.120 0.003 0.000 0.277 715 V C -2.570 173.420 176.094 -0.174 0.000 1.008 715 V CA -1.897 60.306 62.300 -0.161 0.000 0.846 715 V CB 1.225 32.955 31.823 -0.155 0.000 1.031 715 V HN 0.679 nan 8.190 nan 0.000 0.441 716 P HA 0.154 nan 4.420 nan 0.000 0.258 716 P C 0.633 177.657 177.300 -0.461 0.000 1.187 716 P CA 0.508 63.356 63.100 -0.419 0.000 0.767 716 P CB 0.662 32.095 31.700 -0.444 0.000 0.770 717 L N 2.823 123.788 121.223 -0.431 0.000 2.463 717 L HA 0.080 4.422 4.340 0.003 0.000 0.219 717 L C 0.580 177.370 176.870 -0.134 0.000 1.088 717 L CA 0.229 54.938 54.840 -0.218 0.000 0.849 717 L CB -0.450 41.528 42.059 -0.135 0.000 1.012 717 L HN 0.400 nan 8.230 nan 0.000 0.468 718 Y N -0.469 119.813 120.300 -0.029 0.000 4.916 718 Y HA -0.351 4.201 4.550 0.004 0.000 0.247 718 Y C 0.739 176.633 175.900 -0.009 0.000 0.962 718 Y CA 0.838 58.928 58.100 -0.015 0.000 1.933 718 Y CB -1.960 36.492 38.460 -0.013 0.000 1.451 718 Y HN 0.474 nan 8.280 nan 0.000 0.539 719 E N -0.296 119.920 120.200 0.028 0.000 2.442 719 E HA 0.741 5.093 4.350 0.003 0.000 0.261 719 E C -0.729 175.822 176.600 -0.083 0.000 0.935 719 E CA -0.713 55.690 56.400 0.005 0.000 0.856 719 E CB 1.549 31.245 29.700 -0.006 0.000 1.571 719 E HN 0.001 nan 8.360 nan 0.000 0.431 720 S N 0.787 116.406 115.700 -0.135 0.000 2.448 720 S HA 0.454 4.926 4.470 0.003 0.000 0.320 720 S C -2.388 172.095 174.600 -0.195 0.000 1.071 720 S CA -1.460 56.609 58.200 -0.217 0.000 1.113 720 S CB 0.699 63.686 63.200 -0.356 0.000 0.972 720 S HN 0.319 nan 8.310 nan 0.000 0.465 721 P HA 0.338 nan 4.420 nan 0.000 0.274 721 P C -0.005 177.219 177.300 -0.128 0.000 1.231 721 P CA -0.526 62.492 63.100 -0.137 0.000 0.790 721 P CB 0.997 32.620 31.700 -0.128 0.000 0.951 722 R N 0.288 120.732 120.500 -0.095 0.000 2.437 722 R HA 0.243 4.585 4.340 0.003 0.000 0.184 722 R C 0.350 176.635 176.300 -0.025 0.000 0.850 722 R CA 0.511 56.575 56.100 -0.059 0.000 1.073 722 R CB 0.130 30.403 30.300 -0.046 0.000 1.336 722 R HN 0.423 nan 8.270 nan 0.000 0.640 723 K N 0.718 121.105 120.400 -0.022 0.000 2.400 723 K HA 0.531 4.853 4.320 0.003 0.000 0.246 723 K C -1.054 175.535 176.600 -0.018 0.000 0.995 723 K CA -0.783 55.503 56.287 -0.001 0.000 0.840 723 K CB 2.426 34.942 32.500 0.026 0.000 1.293 723 K HN -0.015 nan 8.250 nan 0.000 0.445 724 I N 0.424 120.997 120.570 0.006 0.000 2.627 724 I HA 0.268 4.441 4.170 0.003 0.000 0.288 724 I C -1.592 174.583 176.117 0.095 0.000 1.202 724 I CA -0.334 60.969 61.300 0.005 0.000 1.050 724 I CB 1.113 39.066 38.000 -0.080 0.000 1.264 724 I HN 0.510 nan 8.210 nan 0.000 0.429 725 C N 5.983 125.385 119.300 0.169 0.000 2.456 725 C HA 0.466 4.928 4.460 0.003 0.000 0.325 725 C C -0.785 174.538 174.990 0.556 0.000 1.217 725 C CA -0.492 58.713 59.018 0.311 0.000 1.687 725 C CB 1.395 29.311 27.740 0.293 0.000 2.270 725 C HN 0.636 nan 8.230 nan 0.000 0.499 726 Y N 3.089 123.633 120.300 0.406 0.000 2.491 726 Y HA 0.393 4.945 4.550 0.003 0.000 0.334 726 Y C 0.230 176.223 175.900 0.155 0.000 0.969 726 Y CA -0.102 58.184 58.100 0.310 0.000 1.241 726 Y CB 0.297 38.951 38.460 0.322 0.000 1.105 726 Y HN 0.731 nan 8.280 nan 0.000 0.503 727 Q N 5.795 125.475 119.800 -0.200 0.000 2.377 727 Q HA 0.106 4.449 4.340 0.003 0.000 0.249 727 Q C 0.821 176.402 176.000 -0.698 0.000 1.005 727 Q CA -0.100 55.478 55.803 -0.375 0.000 0.912 727 Q CB 0.885 29.386 28.738 -0.396 0.000 1.223 727 Q HN 0.942 nan 8.270 nan 0.000 0.459 728 E N 3.391 123.153 120.200 -0.730 0.000 2.005 728 E HA -0.172 4.180 4.350 0.003 0.000 0.191 728 E C 1.727 178.106 176.600 -0.368 0.000 0.987 728 E CA 1.617 57.556 56.400 -0.768 0.000 0.814 728 E CB -0.112 29.353 29.700 -0.393 0.000 0.772 728 E HN 0.669 nan 8.360 nan 0.000 0.453 729 V N 0.704 120.475 119.914 -0.239 0.000 2.352 729 V HA -0.307 3.815 4.120 0.003 0.000 0.263 729 V C 1.766 177.777 176.094 -0.139 0.000 1.103 729 V CA 2.738 64.944 62.300 -0.158 0.000 1.099 729 V CB -0.909 30.823 31.823 -0.151 0.000 0.685 729 V HN 0.228 nan 8.190 nan 0.000 0.455 730 S N -0.161 115.435 115.700 -0.172 0.000 2.605 730 S HA 0.204 4.676 4.470 0.003 0.000 0.217 730 S C 0.679 175.244 174.600 -0.060 0.000 0.958 730 S CA 0.340 58.501 58.200 -0.066 0.000 0.919 730 S CB 0.024 63.230 63.200 0.010 0.000 0.780 730 S HN 0.772 nan 8.310 nan 0.000 0.507 731 Q N 0.079 119.789 119.800 -0.151 0.000 2.434 731 Q HA -0.213 4.129 4.340 0.003 0.000 0.299 731 Q C 0.268 176.163 176.000 -0.175 0.000 1.286 731 Q CA 1.052 56.781 55.803 -0.123 0.000 0.872 731 Q CB -2.726 26.019 28.738 0.011 0.000 1.193 731 Q HN 0.902 nan 8.270 nan 0.000 0.466 732 C N -3.761 115.385 119.300 -0.256 0.000 3.335 732 C HA 0.870 5.332 4.460 0.003 0.000 0.356 732 C C -0.417 174.427 174.990 -0.243 0.000 1.570 732 C CA -1.300 57.572 59.018 -0.244 0.000 1.271 732 C CB 1.674 29.351 27.740 -0.106 0.000 1.873 732 C HN 0.204 nan 8.230 nan 0.000 0.439 733 F N 0.378 120.363 119.950 0.059 0.000 2.508 733 F HA 0.650 5.179 4.527 0.003 0.000 0.325 733 F C 0.901 176.646 175.800 -0.091 0.000 1.090 733 F CA -0.059 57.994 58.000 0.089 0.000 0.945 733 F CB 2.313 41.370 39.000 0.096 0.000 1.156 733 F HN 1.039 nan 8.300 nan 0.000 0.463 734 G N 1.406 110.212 108.800 0.008 0.000 2.356 734 G HA2 0.580 4.542 3.960 0.003 0.000 0.322 734 G HA3 0.580 4.542 3.960 0.003 0.000 0.322 734 G C -1.725 173.074 174.900 -0.168 0.000 1.125 734 G CA -0.517 44.331 45.100 -0.420 0.000 0.885 734 G HN 0.474 nan 8.290 nan 0.000 0.467 735 V N 3.651 123.463 119.914 -0.170 0.000 2.524 735 V HA 0.299 4.421 4.120 0.003 0.000 0.297 735 V C 0.064 176.111 176.094 -0.079 0.000 1.035 735 V CA -0.597 61.646 62.300 -0.095 0.000 0.867 735 V CB 1.495 33.277 31.823 -0.067 0.000 1.004 735 V HN 0.663 nan 8.190 nan 0.000 0.426 736 L N 4.304 125.498 121.223 -0.048 0.000 2.417 736 L HA 0.706 5.048 4.340 0.003 0.000 0.268 736 L C 0.477 177.315 176.870 -0.053 0.000 1.158 736 L CA 0.340 55.175 54.840 -0.008 0.000 0.819 736 L CB 1.611 43.680 42.059 0.018 0.000 1.112 736 L HN 0.857 nan 8.230 nan 0.000 0.458 737 S N 0.829 116.485 115.700 -0.074 0.000 2.588 737 S HA 0.657 5.129 4.470 0.003 0.000 0.269 737 S C -0.999 173.431 174.600 -0.282 0.000 1.157 737 S CA -0.744 57.368 58.200 -0.147 0.000 0.824 737 S CB 2.053 65.193 63.200 -0.101 0.000 1.126 737 S HN 0.571 nan 8.310 nan 0.000 0.464 738 S N 0.610 116.115 115.700 -0.324 0.000 2.614 738 S HA 0.733 5.205 4.470 0.003 0.000 0.275 738 S C -0.983 173.469 174.600 -0.248 0.000 1.161 738 S CA -0.829 57.054 58.200 -0.527 0.000 0.969 738 S CB 1.014 63.800 63.200 -0.689 0.000 1.059 738 S HN 1.161 nan 8.310 nan 0.000 0.482 739 R N 3.508 123.905 120.500 -0.172 0.000 2.807 739 R HA 0.764 5.107 4.340 0.003 0.000 0.276 739 R C -1.213 175.081 176.300 -0.009 0.000 0.979 739 R CA -0.965 55.107 56.100 -0.047 0.000 0.928 739 R CB 1.023 31.309 30.300 -0.023 0.000 1.191 739 R HN 0.535 nan 8.270 nan 0.000 0.471 740 I N 1.127 121.721 120.570 0.040 0.000 2.566 740 I HA 0.356 4.528 4.170 0.003 0.000 0.303 740 I C -0.016 176.118 176.117 0.028 0.000 0.983 740 I CA -0.634 60.690 61.300 0.040 0.000 1.235 740 I CB 1.882 39.908 38.000 0.043 0.000 1.386 740 I HN 0.669 nan 8.210 nan 0.000 0.494 741 E N 2.829 123.047 120.200 0.030 0.000 2.393 741 E HA 0.567 4.919 4.350 0.003 0.000 0.273 741 E C -1.480 175.137 176.600 0.027 0.000 0.918 741 E CA -0.795 55.621 56.400 0.027 0.000 0.773 741 E CB 3.084 32.804 29.700 0.033 0.000 1.275 741 E HN 0.387 nan 8.360 nan 0.000 0.451 742 V N -0.882 119.045 119.914 0.022 0.000 2.769 742 V HA 0.444 4.567 4.120 0.003 0.000 0.312 742 V C -0.178 175.931 176.094 0.026 0.000 1.058 742 V CA -1.053 61.260 62.300 0.021 0.000 0.952 742 V CB 1.419 33.250 31.823 0.012 0.000 1.019 742 V HN 0.787 nan 8.190 nan 0.000 0.445 743 Q N 1.145 120.962 119.800 0.028 0.000 2.349 743 Q HA 0.161 4.503 4.340 0.003 0.000 0.287 743 Q C -0.658 175.356 176.000 0.022 0.000 1.044 743 Q CA 0.178 55.999 55.803 0.029 0.000 0.918 743 Q CB 0.591 29.346 28.738 0.028 0.000 1.242 743 Q HN 0.819 nan 8.270 nan 0.000 0.405 744 D N 0.920 121.334 120.400 0.022 0.000 2.496 744 D HA 0.176 4.818 4.640 0.003 0.000 0.283 744 D C 0.880 177.190 176.300 0.016 0.000 1.214 744 D CA 0.445 54.456 54.000 0.018 0.000 1.089 744 D CB 1.057 41.868 40.800 0.018 0.000 1.141 744 D HN 0.768 nan 8.370 nan 0.000 0.580 745 T N -3.430 111.132 114.554 0.014 0.000 3.015 745 T HA -0.005 4.347 4.350 0.003 0.000 0.250 745 T C 1.468 176.176 174.700 0.013 0.000 1.057 745 T CA 0.512 62.619 62.100 0.012 0.000 1.066 745 T CB -0.215 68.659 68.868 0.010 0.000 0.959 745 T HN 0.197 nan 8.240 nan 0.000 0.488 746 S N 0.835 116.544 115.700 0.014 0.000 2.754 746 S HA 0.430 4.902 4.470 0.003 0.000 0.223 746 S C 2.041 176.652 174.600 0.019 0.000 0.951 746 S CA 0.497 58.707 58.200 0.016 0.000 0.954 746 S CB -1.127 62.082 63.200 0.015 0.000 0.780 746 S HN 1.064 nan 8.310 nan 0.000 0.509 747 G N 0.633 109.445 108.800 0.020 0.000 2.480 747 G HA2 -0.293 3.669 3.960 0.003 0.000 0.246 747 G HA3 -0.293 3.669 3.960 0.003 0.000 0.246 747 G C 0.833 175.750 174.900 0.029 0.000 1.073 747 G CA 0.266 45.380 45.100 0.023 0.000 0.643 747 G HN 1.191 nan 8.290 nan 0.000 0.525 748 G N -0.144 108.674 108.800 0.029 0.000 2.518 748 G HA2 0.520 4.482 3.960 0.003 0.000 0.284 748 G HA3 0.520 4.482 3.960 0.003 0.000 0.284 748 G C 0.460 175.381 174.900 0.034 0.000 1.362 748 G CA 1.498 46.619 45.100 0.034 0.000 1.065 748 G HN 1.619 nan 8.290 nan 0.000 0.561 749 T N -4.153 110.422 114.554 0.036 0.000 2.863 749 T HA 0.621 4.973 4.350 0.003 0.000 0.285 749 T C 0.701 175.417 174.700 0.026 0.000 1.009 749 T CA 0.073 62.193 62.100 0.034 0.000 0.989 749 T CB 1.927 70.822 68.868 0.043 0.000 1.004 749 T HN 0.615 nan 8.240 nan 0.000 0.455 750 T N 0.015 114.582 114.554 0.021 0.000 3.348 750 T HA 0.732 5.084 4.350 0.003 0.000 0.233 750 T C 0.856 175.564 174.700 0.012 0.000 0.960 750 T CA 0.167 62.276 62.100 0.015 0.000 1.343 750 T CB -0.508 68.367 68.868 0.011 0.000 1.068 750 T HN 2.023 nan 8.240 nan 0.000 0.410 751 A N -0.217 122.610 122.820 0.011 0.000 2.437 751 A HA 0.317 4.639 4.320 0.003 0.000 0.606 751 A C -0.181 177.406 177.584 0.004 0.000 0.363 751 A CA -0.380 51.662 52.037 0.009 0.000 0.286 751 A CB -0.806 18.198 19.000 0.005 0.000 3.420 751 A HN 0.419 nan 8.150 nan 0.000 0.498 752 L N 0.092 121.317 121.223 0.003 0.000 2.638 752 L HA 0.398 4.740 4.340 0.003 0.000 0.232 752 L C 0.952 177.817 176.870 -0.008 0.000 1.099 752 L CA 1.049 55.888 54.840 -0.002 0.000 0.883 752 L CB -0.063 41.995 42.059 -0.002 0.000 1.136 752 L HN 0.900 nan 8.230 nan 0.000 0.492 753 R N -0.341 120.153 120.500 -0.009 0.000 2.728 753 R HA 0.357 4.699 4.340 0.003 0.000 0.259 753 R C -3.198 173.084 176.300 -0.031 0.000 1.057 753 R CA -1.204 54.880 56.100 -0.028 0.000 0.908 753 R CB 0.381 30.668 30.300 -0.022 0.000 1.259 753 R HN -0.319 nan 8.270 nan 0.000 0.472 754 P HA 0.136 nan 4.420 nan 0.000 0.271 754 P C -0.707 176.571 177.300 -0.036 0.000 1.216 754 P CA -0.089 62.979 63.100 -0.053 0.000 0.771 754 P CB 1.433 33.085 31.700 -0.080 0.000 0.864 755 S N 1.412 117.120 115.700 0.013 0.000 2.667 755 S HA 0.561 5.033 4.470 0.003 0.000 0.292 755 S C 1.357 176.006 174.600 0.081 0.000 1.108 755 S CA -0.159 58.087 58.200 0.077 0.000 0.992 755 S CB 0.755 63.983 63.200 0.048 0.000 1.269 755 S HN 0.538 nan 8.310 nan 0.000 0.528 756 A N 0.666 123.538 122.820 0.087 0.000 2.195 756 A HA 0.138 4.460 4.320 0.003 0.000 0.210 756 A C 1.884 179.473 177.584 0.009 0.000 1.165 756 A CA 0.820 52.894 52.037 0.062 0.000 0.806 756 A CB -0.658 18.373 19.000 0.052 0.000 0.847 756 A HN 0.678 nan 8.150 nan 0.000 0.482 757 S N -0.810 114.885 115.700 -0.010 0.000 2.503 757 S HA -0.084 4.388 4.470 0.003 0.000 0.217 757 S C 1.796 176.373 174.600 -0.039 0.000 0.999 757 S CA 1.304 59.478 58.200 -0.043 0.000 0.914 757 S CB -0.649 62.520 63.200 -0.052 0.000 0.782 757 S HN 0.647 nan 8.310 nan 0.000 0.520 758 T N -0.733 113.810 114.554 -0.018 0.000 3.010 758 T HA 0.101 4.453 4.350 0.003 0.000 0.252 758 T C 1.424 176.117 174.700 -0.012 0.000 1.047 758 T CA 0.190 62.280 62.100 -0.018 0.000 1.140 758 T CB -0.323 68.538 68.868 -0.012 0.000 0.885 758 T HN 0.190 nan 8.240 nan 0.000 0.464 759 Q N 1.788 121.586 119.800 -0.003 0.000 2.329 759 Q HA 0.517 4.859 4.340 0.003 0.000 0.208 759 Q C 0.879 176.885 176.000 0.011 0.000 0.934 759 Q CA 0.018 55.823 55.803 0.004 0.000 0.951 759 Q CB -0.970 27.772 28.738 0.008 0.000 1.017 759 Q HN 0.770 nan 8.270 nan 0.000 0.490 760 A N 0.558 123.376 122.820 -0.003 0.000 2.615 760 A HA -0.024 4.298 4.320 0.003 0.000 0.230 760 A C 1.196 178.796 177.584 0.028 0.000 1.062 760 A CA 0.170 52.205 52.037 -0.003 0.000 0.758 760 A CB 0.211 19.182 19.000 -0.049 0.000 0.995 760 A HN 0.414 nan 8.150 nan 0.000 0.511 761 L N 1.523 122.777 121.223 0.053 0.000 2.007 761 L HA -0.017 4.325 4.340 0.003 0.000 0.205 761 L C 1.943 178.868 176.870 0.092 0.000 1.073 761 L CA 1.544 56.426 54.840 0.071 0.000 0.744 761 L CB -0.825 41.282 42.059 0.081 0.000 0.898 761 L HN 0.919 nan 8.230 nan 0.000 0.435 762 S N -1.080 114.712 115.700 0.153 0.000 2.667 762 S HA 0.702 5.174 4.470 0.003 0.000 0.292 762 S C -0.108 174.640 174.600 0.247 0.000 1.108 762 S CA 0.100 58.428 58.200 0.212 0.000 0.992 762 S CB 1.841 65.195 63.200 0.258 0.000 1.269 762 S HN 0.372 nan 8.310 nan 0.000 0.528 763 S N -1.274 114.659 115.700 0.387 0.000 2.701 763 S HA 0.595 5.067 4.470 0.003 0.000 0.267 763 S C -1.448 173.358 174.600 0.343 0.000 1.034 763 S CA -0.639 57.645 58.200 0.139 0.000 0.867 763 S CB 0.384 63.578 63.200 -0.011 0.000 1.123 763 S HN 1.222 nan 8.310 nan 0.000 0.470 764 S N -0.268 115.486 115.700 0.091 0.000 2.547 764 S HA 0.786 5.258 4.470 0.003 0.000 0.270 764 S C -1.409 173.083 174.600 -0.179 0.000 1.150 764 S CA -0.370 57.887 58.200 0.094 0.000 0.850 764 S CB 1.617 65.033 63.200 0.359 0.000 1.118 764 S HN 1.336 nan 8.310 nan 0.000 0.461 765 V N 0.999 120.825 119.914 -0.147 0.000 3.113 765 V HA 0.716 4.838 4.120 0.003 0.000 0.316 765 V C 0.023 175.996 176.094 -0.202 0.000 1.125 765 V CA -0.513 61.626 62.300 -0.268 0.000 1.026 765 V CB 2.273 34.035 31.823 -0.101 0.000 1.080 765 V HN 0.873 nan 8.190 nan 0.000 0.444 766 S N 1.080 116.682 115.700 -0.164 0.000 2.528 766 S HA 0.240 4.712 4.470 0.003 0.000 0.277 766 S C 1.047 175.717 174.600 0.116 0.000 1.297 766 S CA 0.271 58.555 58.200 0.140 0.000 1.052 766 S CB 1.112 64.474 63.200 0.271 0.000 0.917 766 S HN 1.032 nan 8.310 nan 0.000 0.492 767 S N 3.411 119.193 115.700 0.137 0.000 2.517 767 S HA 0.107 4.579 4.470 0.003 0.000 0.228 767 S C 0.938 175.591 174.600 0.088 0.000 1.060 767 S CA 0.502 58.759 58.200 0.096 0.000 0.937 767 S CB -0.765 62.488 63.200 0.088 0.000 0.840 767 S HN 0.903 nan 8.310 nan 0.000 0.546 768 S N 1.897 117.649 115.700 0.087 0.000 3.188 768 S HA -0.139 4.333 4.470 0.003 0.000 0.386 768 S C 0.227 174.850 174.600 0.038 0.000 1.172 768 S CA 0.438 58.670 58.200 0.053 0.000 0.925 768 S CB -0.015 63.221 63.200 0.060 0.000 0.620 768 S HN 0.532 nan 8.310 nan 0.000 0.450 769 K N 4.207 124.597 120.400 -0.017 0.000 2.646 769 K HA 0.243 4.565 4.320 0.003 0.000 0.206 769 K C 0.959 177.495 176.600 -0.108 0.000 1.069 769 K CA -0.231 56.045 56.287 -0.019 0.000 1.067 769 K CB 0.092 32.590 32.500 -0.004 0.000 0.807 769 K HN 0.654 nan 8.250 nan 0.000 0.482 770 L N 0.204 121.258 121.223 -0.281 0.000 2.549 770 L HA 0.017 4.359 4.340 0.003 0.000 0.229 770 L C 0.340 176.694 176.870 -0.860 0.000 1.158 770 L CA 1.324 55.774 54.840 -0.651 0.000 0.842 770 L CB -0.349 41.144 42.059 -0.944 0.000 0.952 770 L HN 0.038 nan 8.230 nan 0.000 0.452 771 F N -2.980 117.003 119.950 0.055 0.000 2.764 771 F HA 0.379 4.907 4.527 0.003 0.000 0.347 771 F C 1.049 176.878 175.800 0.048 0.000 1.151 771 F CA -0.705 57.328 58.000 0.055 0.000 1.021 771 F CB 1.364 40.409 39.000 0.076 0.000 1.438 771 F HN -0.442 nan 8.300 nan 0.000 0.516 772 S N -1.053 114.791 115.700 0.241 0.000 3.624 772 S HA 0.097 4.569 4.470 0.003 0.000 0.244 772 S C 0.134 174.790 174.600 0.094 0.000 1.115 772 S CA 0.183 58.461 58.200 0.129 0.000 0.820 772 S CB 0.158 63.409 63.200 0.085 0.000 0.964 772 S HN 0.614 nan 8.310 nan 0.000 0.508 784 E N 1.399 121.612 120.200 0.022 0.000 2.892 784 E HA 0.145 4.497 4.350 0.003 0.000 0.273 784 E C -0.197 176.424 176.600 0.035 0.000 0.921 784 E CA 1.009 57.427 56.400 0.031 0.000 0.968 784 E CB 0.470 30.193 29.700 0.038 0.000 0.941 784 E HN 0.357 nan 8.360 nan 0.000 0.492 785 E N 1.193 121.417 120.200 0.040 0.000 2.214 785 E HA 0.521 4.873 4.350 0.003 0.000 0.274 785 E C -0.952 175.692 176.600 0.073 0.000 0.977 785 E CA -0.647 55.780 56.400 0.044 0.000 0.827 785 E CB 2.180 31.896 29.700 0.026 0.000 1.130 785 E HN 0.164 nan 8.360 nan 0.000 0.394 786 V N 1.802 121.762 119.914 0.077 0.000 3.181 786 V HA 0.353 4.475 4.120 0.003 0.000 0.308 786 V C -1.541 174.609 176.094 0.093 0.000 1.214 786 V CA -0.514 61.852 62.300 0.110 0.000 1.053 786 V CB 2.505 34.397 31.823 0.114 0.000 1.069 786 V HN 0.680 nan 8.190 nan 0.000 0.441 787 E N 0.644 120.906 120.200 0.104 0.000 2.238 787 E HA 0.722 5.074 4.350 0.003 0.000 0.267 787 E C -1.849 174.795 176.600 0.073 0.000 0.887 787 E CA -0.533 55.881 56.400 0.024 0.000 0.769 787 E CB 2.351 31.978 29.700 -0.121 0.000 1.187 787 E HN 0.459 nan 8.360 nan 0.000 0.416 788 V N 3.794 123.741 119.914 0.055 0.000 2.525 788 V HA 0.281 4.403 4.120 0.003 0.000 0.299 788 V C -0.669 175.484 176.094 0.098 0.000 1.034 788 V CA -0.744 61.627 62.300 0.118 0.000 0.863 788 V CB 1.542 33.403 31.823 0.064 0.000 0.999 788 V HN 0.688 nan 8.190 nan 0.000 0.423 789 H N 4.023 123.114 119.070 0.035 0.000 2.499 789 H HA 0.556 5.114 4.556 0.003 0.000 0.340 789 H C -0.829 174.686 175.328 0.313 0.000 1.148 789 H CA -0.702 55.407 56.048 0.103 0.000 1.215 789 H CB 2.181 31.966 29.762 0.039 0.000 1.529 789 H HN 0.600 nan 8.280 nan 0.000 0.510 790 N N 1.636 120.521 118.700 0.309 0.000 2.321 790 N HA 0.154 4.896 4.740 0.003 0.000 0.290 790 N C -1.265 174.413 175.510 0.280 0.000 1.212 790 N CA -0.818 52.359 53.050 0.211 0.000 0.767 790 N CB 3.008 41.492 38.487 -0.006 0.000 1.494 790 N HN 0.242 nan 8.380 nan 0.000 0.479 791 L N 1.612 122.915 121.223 0.133 0.000 2.289 791 L HA 0.524 4.866 4.340 0.003 0.000 0.285 791 L C -1.018 175.754 176.870 -0.164 0.000 1.049 791 L CA -0.246 54.575 54.840 -0.030 0.000 0.804 791 L CB 0.441 42.382 42.059 -0.196 0.000 1.195 791 L HN 0.402 nan 8.230 nan 0.000 0.428 792 L N 5.342 126.464 121.223 -0.168 0.000 2.334 792 L HA 0.535 4.877 4.340 0.003 0.000 0.272 792 L C -0.575 176.166 176.870 -0.216 0.000 1.020 792 L CA -0.796 53.943 54.840 -0.168 0.000 0.812 792 L CB 1.841 43.839 42.059 -0.102 0.000 1.264 792 L HN 0.458 nan 8.230 nan 0.000 0.439 793 I N 3.305 123.756 120.570 -0.199 0.000 2.382 793 I HA 0.395 4.567 4.170 0.003 0.000 0.286 793 I C -0.438 175.589 176.117 -0.151 0.000 1.002 793 I CA -0.243 60.898 61.300 -0.265 0.000 1.135 793 I CB 1.775 39.478 38.000 -0.495 0.000 1.288 793 I HN 0.426 nan 8.210 nan 0.000 0.448 794 I N 5.086 125.610 120.570 -0.077 0.000 2.406 794 I HA 0.177 4.349 4.170 0.003 0.000 0.290 794 I C 0.017 176.096 176.117 -0.064 0.000 0.999 794 I CA -0.476 60.828 61.300 0.006 0.000 1.124 794 I CB 1.860 39.948 38.000 0.147 0.000 1.289 794 I HN 0.450 nan 8.210 nan 0.000 0.441 795 D N 4.489 124.830 120.400 -0.098 0.000 2.401 795 D HA 0.027 4.669 4.640 0.003 0.000 0.254 795 D C 1.242 177.272 176.300 -0.450 0.000 1.192 795 D CA 0.036 53.940 54.000 -0.161 0.000 0.885 795 D CB 1.002 41.772 40.800 -0.051 0.000 1.147 795 D HN 0.570 nan 8.370 nan 0.000 0.478 796 Q N 3.061 122.559 119.800 -0.504 0.000 2.170 796 Q HA -0.231 4.111 4.340 0.003 0.000 0.203 796 Q C 0.922 176.437 176.000 -0.809 0.000 0.976 796 Q CA 1.228 56.552 55.803 -0.798 0.000 0.858 796 Q CB -0.136 28.198 28.738 -0.672 0.000 0.907 796 Q HN 0.634 nan 8.270 nan 0.000 0.433 797 H N 0.811 119.724 119.070 -0.263 0.000 2.355 797 H HA 0.014 4.572 4.556 0.003 0.000 0.303 797 H C 2.154 177.473 175.328 -0.015 0.000 1.061 797 H CA 1.997 57.996 56.048 -0.083 0.000 1.368 797 H CB -0.009 29.736 29.762 -0.028 0.000 1.412 797 H HN 0.595 nan 8.280 nan 0.000 0.523 798 T N -2.243 112.347 114.554 0.060 0.000 3.065 798 T HA 0.025 4.377 4.350 0.003 0.000 0.252 798 T C 0.520 175.342 174.700 0.205 0.000 1.099 798 T CA -0.274 61.904 62.100 0.130 0.000 1.063 798 T CB -0.543 68.384 68.868 0.097 0.000 0.948 798 T HN 0.184 nan 8.240 nan 0.000 0.506 799 F N 1.642 121.653 119.950 0.102 0.000 3.027 799 F HA -0.159 4.370 4.527 0.003 0.000 0.276 799 F C 0.317 176.158 175.800 0.068 0.000 0.967 799 F CA 0.341 58.396 58.000 0.091 0.000 0.929 799 F CB -1.956 37.088 39.000 0.074 0.000 0.873 799 F HN 0.372 nan 8.300 nan 0.000 0.787 800 E N -0.141 120.130 120.200 0.117 0.000 2.166 800 E HA 0.421 4.773 4.350 0.003 0.000 0.275 800 E C -0.117 176.522 176.600 0.065 0.000 0.941 800 E CA -0.928 55.529 56.400 0.095 0.000 0.784 800 E CB 1.736 31.482 29.700 0.078 0.000 1.115 800 E HN 0.053 nan 8.360 nan 0.000 0.399 801 V N 6.256 126.206 119.914 0.060 0.000 2.456 801 V HA -0.139 3.984 4.120 0.003 0.000 0.247 801 V C 1.569 177.687 176.094 0.039 0.000 1.056 801 V CA 0.608 62.924 62.300 0.026 0.000 1.203 801 V CB -1.617 30.215 31.823 0.014 0.000 1.185 801 V HN 0.736 nan 8.190 nan 0.000 0.477 802 L N 1.877 123.125 121.223 0.042 0.000 1.915 802 L HA -0.097 4.245 4.340 0.003 0.000 0.225 802 L C 1.363 178.325 176.870 0.153 0.000 1.084 802 L CA 1.727 56.632 54.840 0.109 0.000 0.788 802 L CB -0.453 41.696 42.059 0.150 0.000 0.892 802 L HN 0.675 nan 8.230 nan 0.000 0.434 803 H N -0.763 118.318 119.070 0.018 0.000 2.533 803 H HA 0.636 5.194 4.556 0.003 0.000 0.343 803 H C -0.933 174.378 175.328 -0.029 0.000 1.160 803 H CA -0.703 55.371 56.048 0.044 0.000 1.218 803 H CB 1.468 31.333 29.762 0.171 0.000 1.566 803 H HN 0.270 nan 8.280 nan 0.000 0.522 804 A N 3.693 126.040 122.820 -0.788 0.000 2.319 804 A HA 0.339 4.661 4.320 0.003 0.000 0.310 804 A C -1.437 175.706 177.584 -0.734 0.000 1.152 804 A CA -0.609 51.065 52.037 -0.605 0.000 0.783 804 A CB 0.164 18.987 19.000 -0.295 0.000 1.184 804 A HN 0.904 nan 8.150 nan 0.000 0.474 805 H N 1.633 120.354 119.070 -0.582 0.000 2.519 805 H HA 0.483 5.041 4.556 0.004 0.000 0.316 805 H C 0.025 175.095 175.328 -0.430 0.000 1.065 805 H CA 0.062 55.850 56.048 -0.434 0.000 1.264 805 H CB 0.882 30.360 29.762 -0.472 0.000 1.413 805 H HN 0.739 nan 8.280 nan 0.000 0.465 806 Q N 5.125 124.467 119.800 -0.763 0.000 2.257 806 Q HA 0.259 4.601 4.340 0.003 0.000 0.255 806 Q C -0.988 174.720 176.000 -0.487 0.000 0.920 806 Q CA -0.669 54.870 55.803 -0.440 0.000 0.927 806 Q CB 0.773 29.381 28.738 -0.216 0.000 1.229 806 Q HN 0.541 nan 8.270 nan 0.000 0.433 807 F N 1.680 121.654 119.950 0.040 0.000 2.291 807 F HA 0.271 4.800 4.527 0.003 0.000 0.305 807 F C 0.934 176.797 175.800 0.105 0.000 1.171 807 F CA -0.693 57.394 58.000 0.146 0.000 1.090 807 F CB 0.378 39.496 39.000 0.198 0.000 1.436 807 F HN 0.459 nan 8.300 nan 0.000 0.509 808 L N -0.028 121.414 121.223 0.365 0.000 2.294 808 L HA -0.008 4.334 4.340 0.003 0.000 0.203 808 L C 0.276 177.262 176.870 0.193 0.000 1.150 808 L CA 0.066 55.053 54.840 0.244 0.000 0.847 808 L CB -0.046 42.174 42.059 0.269 0.000 1.231 808 L HN 0.508 nan 8.230 nan 0.000 0.568 809 Q N 0.937 120.838 119.800 0.168 0.000 2.390 809 Q HA 0.134 4.476 4.340 0.003 0.000 0.249 809 Q C -0.862 175.222 176.000 0.140 0.000 0.996 809 Q CA -0.223 55.670 55.803 0.150 0.000 0.899 809 Q CB 0.335 29.157 28.738 0.139 0.000 1.216 809 Q HN 0.544 nan 8.270 nan 0.000 0.465 810 N N 2.534 121.309 118.700 0.125 0.000 2.990 810 N HA -0.167 4.575 4.740 0.003 0.000 0.247 810 N C -1.159 174.300 175.510 -0.084 0.000 1.096 810 N CA 0.909 53.981 53.050 0.038 0.000 0.797 810 N CB -0.774 37.678 38.487 -0.059 0.000 1.114 810 N HN 0.780 nan 8.380 nan 0.000 0.549 811 E N 0.456 120.684 120.200 0.046 0.000 2.133 811 E HA 0.298 4.650 4.350 0.003 0.000 0.274 811 E C -1.007 175.562 176.600 -0.051 0.000 0.930 811 E CA -0.464 55.922 56.400 -0.023 0.000 0.770 811 E CB 0.723 30.468 29.700 0.075 0.000 1.104 811 E HN 0.168 nan 8.360 nan 0.000 0.403 812 Y N 2.300 122.252 120.300 -0.580 0.000 2.331 812 Y HA 0.497 5.049 4.550 0.003 0.000 0.338 812 Y C 0.302 175.853 175.900 -0.582 0.000 0.992 812 Y CA -1.505 56.002 58.100 -0.989 0.000 1.121 812 Y CB 1.851 39.880 38.460 -0.718 0.000 1.184 812 Y HN 0.584 nan 8.280 nan 0.000 0.469 813 A N 4.607 127.230 122.820 -0.329 0.000 2.320 813 A HA 0.478 4.800 4.320 0.003 0.000 0.287 813 A C 0.007 177.555 177.584 -0.060 0.000 1.181 813 A CA -0.341 51.513 52.037 -0.305 0.000 0.831 813 A CB 0.175 18.869 19.000 -0.511 0.000 1.102 813 A HN 1.007 nan 8.150 nan 0.000 0.513 814 L N 1.959 123.140 121.223 -0.070 0.000 2.781 814 L HA 0.207 4.549 4.340 0.003 0.000 0.245 814 L C 0.449 177.336 176.870 0.029 0.000 1.118 814 L CA 0.344 55.188 54.840 0.007 0.000 0.918 814 L CB 0.255 42.302 42.059 -0.021 0.000 1.246 814 L HN 0.635 nan 8.230 nan 0.000 0.526 815 S N 0.443 116.148 115.700 0.008 0.000 2.546 815 S HA 0.775 5.247 4.470 0.003 0.000 0.274 815 S C -1.115 173.517 174.600 0.053 0.000 1.121 815 S CA -0.633 57.593 58.200 0.043 0.000 0.887 815 S CB 2.800 66.027 63.200 0.044 0.000 1.094 815 S HN 0.035 nan 8.310 nan 0.000 0.474 816 L N 2.620 123.888 121.223 0.075 0.000 2.439 816 L HA 0.815 5.157 4.340 0.003 0.000 0.270 816 L C -0.913 176.035 176.870 0.129 0.000 0.972 816 L CA -0.517 54.380 54.840 0.095 0.000 0.836 816 L CB 1.783 43.877 42.059 0.059 0.000 1.255 816 L HN 0.901 nan 8.230 nan 0.000 0.404 817 V N 1.558 121.568 119.914 0.160 0.000 2.919 817 V HA 0.847 4.969 4.120 0.003 0.000 0.316 817 V C -0.614 175.642 176.094 0.269 0.000 1.077 817 V CA -0.300 62.105 62.300 0.176 0.000 0.977 817 V CB 2.016 33.912 31.823 0.122 0.000 1.039 817 V HN 0.859 nan 8.190 nan 0.000 0.441 818 S N 2.911 118.751 115.700 0.234 0.000 2.622 818 S HA 0.691 5.163 4.470 0.003 0.000 0.283 818 S C -0.507 174.123 174.600 0.050 0.000 1.197 818 S CA -0.135 58.180 58.200 0.192 0.000 1.146 818 S CB -0.433 62.912 63.200 0.241 0.000 1.007 818 S HN 1.848 nan 8.310 nan 0.000 0.478 819 C N 2.955 122.271 119.300 0.027 0.000 2.994 819 C HA 0.701 5.163 4.460 0.003 0.000 0.305 819 C C -0.540 174.456 174.990 0.010 0.000 1.251 819 C CA -1.268 57.754 59.018 0.007 0.000 1.478 819 C CB 0.448 28.200 27.740 0.020 0.000 1.922 819 C HN 0.753 nan 8.230 nan 0.000 0.472 820 K N 1.041 121.442 120.400 0.003 0.000 2.295 820 K HA 0.696 5.018 4.320 0.003 0.000 0.270 820 K C -0.722 175.902 176.600 0.039 0.000 1.011 820 K CA 0.086 56.400 56.287 0.045 0.000 0.953 820 K CB 0.566 33.080 32.500 0.024 0.000 0.956 820 K HN 0.597 nan 8.250 nan 0.000 0.477 821 L N 1.125 122.381 121.223 0.056 0.000 2.371 821 L HA 0.427 4.769 4.340 0.003 0.000 0.262 821 L C 0.785 177.765 176.870 0.184 0.000 1.006 821 L CA -0.594 54.234 54.840 -0.020 0.000 0.818 821 L CB 1.949 43.768 42.059 -0.401 0.000 1.354 821 L HN 0.936 nan 8.230 nan 0.000 0.415 822 G N 1.521 110.433 108.800 0.187 0.000 2.602 822 G HA2 -0.385 3.577 3.960 0.003 0.000 0.317 822 G HA3 -0.385 3.577 3.960 0.003 0.000 0.317 822 G C 0.623 175.636 174.900 0.189 0.000 1.327 822 G CA 0.862 46.098 45.100 0.227 0.000 0.971 822 G HN 0.700 nan 8.290 nan 0.000 0.540 823 K N 0.526 121.030 120.400 0.172 0.000 2.097 823 K HA 0.036 4.358 4.320 0.003 0.000 0.205 823 K C 1.302 177.990 176.600 0.147 0.000 1.050 823 K CA 0.847 57.207 56.287 0.122 0.000 0.938 823 K CB -0.350 32.197 32.500 0.079 0.000 0.718 823 K HN 0.541 nan 8.250 nan 0.000 0.442 824 D N 1.036 121.575 120.400 0.231 0.000 3.061 824 D HA -0.108 4.534 4.640 0.003 0.000 0.226 824 D C -1.728 174.705 176.300 0.221 0.000 1.168 824 D CA -0.219 53.960 54.000 0.299 0.000 0.822 824 D CB 0.846 42.022 40.800 0.627 0.000 1.152 824 D HN 0.126 nan 8.370 nan 0.000 0.555 825 P HA -0.016 nan 4.420 nan 0.000 0.249 825 P C 0.066 177.370 177.300 0.006 0.000 1.229 825 P CA -0.112 63.023 63.100 0.058 0.000 0.788 825 P CB 0.442 32.162 31.700 0.032 0.000 1.072 826 N N 0.141 118.847 118.700 0.011 0.000 2.503 826 N HA 0.149 4.891 4.740 0.003 0.000 0.267 826 N C -0.196 175.117 175.510 -0.329 0.000 1.214 826 N CA 0.612 53.524 53.050 -0.230 0.000 0.959 826 N CB 0.105 38.328 38.487 -0.439 0.000 1.142 826 N HN -0.204 nan 8.380 nan 0.000 0.455 827 T N 2.241 116.521 114.554 -0.457 0.000 2.821 827 T HA 0.339 4.691 4.350 0.003 0.000 0.307 827 T C -0.682 173.709 174.700 -0.515 0.000 1.034 827 T CA -0.229 61.649 62.100 -0.370 0.000 0.953 827 T CB -0.233 68.470 68.868 -0.276 0.000 0.968 827 T HN 0.210 nan 8.240 nan 0.000 0.462 828 Y N 1.427 121.624 120.300 -0.172 0.000 2.374 828 Y HA 0.580 5.132 4.550 0.003 0.000 0.322 828 Y C 0.030 175.831 175.900 -0.164 0.000 1.275 828 Y CA -1.349 56.666 58.100 -0.142 0.000 1.307 828 Y CB 0.788 39.173 38.460 -0.126 0.000 1.282 828 Y HN 0.460 nan 8.280 nan 0.000 0.509 829 F N 2.201 122.300 119.950 0.249 0.000 2.361 829 F HA 0.436 4.965 4.527 0.004 0.000 0.364 829 F C -0.415 175.541 175.800 0.261 0.000 1.117 829 F CA -1.268 56.855 58.000 0.204 0.000 1.071 829 F CB 0.386 39.495 39.000 0.182 0.000 1.188 829 F HN 0.180 nan 8.300 nan 0.000 0.464 830 I N 3.901 124.680 120.570 0.348 0.000 2.392 830 I HA 0.434 4.606 4.170 0.003 0.000 0.295 830 I C -0.662 175.585 176.117 0.217 0.000 0.985 830 I CA -0.737 60.687 61.300 0.207 0.000 1.221 830 I CB 1.590 39.605 38.000 0.026 0.000 1.366 830 I HN 0.106 nan 8.210 nan 0.000 0.467 831 V N 5.461 125.513 119.914 0.230 0.000 2.409 831 V HA 0.489 4.611 4.120 0.003 0.000 0.290 831 V C 0.485 176.616 176.094 0.062 0.000 1.017 831 V CA -0.581 61.831 62.300 0.187 0.000 0.841 831 V CB 1.450 33.499 31.823 0.377 0.000 1.003 831 V HN 0.889 nan 8.190 nan 0.000 0.426 832 G N 3.225 112.022 108.800 -0.005 0.000 2.444 832 G HA2 0.632 4.594 3.960 0.003 0.000 0.268 832 G HA3 0.632 4.594 3.960 0.003 0.000 0.268 832 G C 0.079 174.906 174.900 -0.121 0.000 1.203 832 G CA 0.358 45.422 45.100 -0.060 0.000 0.835 832 G HN 0.785 nan 8.290 nan 0.000 0.543 833 T N -2.182 112.286 114.554 -0.143 0.000 2.669 833 T HA 0.847 5.199 4.350 0.003 0.000 0.283 833 T C -0.517 174.060 174.700 -0.205 0.000 1.019 833 T CA -0.360 61.615 62.100 -0.208 0.000 1.039 833 T CB 1.956 70.692 68.868 -0.219 0.000 1.374 833 T HN 1.945 nan 8.240 nan 0.000 0.523 834 A N 0.960 123.640 122.820 -0.233 0.000 2.547 834 A HA 0.593 4.915 4.320 0.003 0.000 0.298 834 A C -0.991 176.374 177.584 -0.365 0.000 1.062 834 A CA -0.931 50.934 52.037 -0.288 0.000 0.748 834 A CB 1.250 20.049 19.000 -0.335 0.000 1.288 834 A HN 0.725 nan 8.150 nan 0.000 0.396 835 M N 1.916 121.265 119.600 -0.417 0.000 2.277 835 M HA 0.615 5.097 4.480 0.003 0.000 0.350 835 M C -0.550 175.304 176.300 -0.743 0.000 1.180 835 M CA -0.614 54.348 55.300 -0.563 0.000 1.103 835 M CB 0.940 33.213 32.600 -0.545 0.000 1.577 835 M HN 0.448 nan 8.290 nan 0.000 0.459 836 V N 4.205 123.464 119.914 -1.092 0.000 2.668 836 V HA 0.492 4.614 4.120 0.003 0.000 0.304 836 V C -1.610 173.841 176.094 -1.071 0.000 1.071 836 V CA -0.712 61.012 62.300 -0.960 0.000 0.894 836 V CB 2.165 33.317 31.823 -1.117 0.000 1.008 836 V HN 0.771 nan 8.190 nan 0.000 0.425 837 Y N 4.169 124.360 120.300 -0.182 0.000 2.373 837 Y HA 0.399 4.951 4.550 0.003 0.000 0.336 837 Y C -1.920 173.938 175.900 -0.070 0.000 0.979 837 Y CA -2.059 55.981 58.100 -0.099 0.000 1.080 837 Y CB 2.277 40.691 38.460 -0.077 0.000 1.190 837 Y HN 0.398 nan 8.280 nan 0.000 0.446 838 P HA -0.272 nan 4.420 nan 0.000 0.218 838 P C 1.162 178.497 177.300 0.058 0.000 1.150 838 P CA 2.003 65.138 63.100 0.059 0.000 0.841 838 P CB 0.401 32.143 31.700 0.070 0.000 0.784 839 E N 0.743 120.987 120.200 0.074 0.000 1.998 839 E HA -0.149 4.203 4.350 0.003 0.000 0.196 839 E C 0.499 177.127 176.600 0.047 0.000 1.003 839 E CA 0.941 57.372 56.400 0.050 0.000 0.829 839 E CB -1.519 28.202 29.700 0.035 0.000 0.777 839 E HN 0.336 nan 8.360 nan 0.000 0.460 840 E N 1.024 121.262 120.200 0.064 0.000 2.653 840 E HA 0.060 4.413 4.350 0.003 0.000 0.264 840 E C 0.742 177.361 176.600 0.030 0.000 0.949 840 E CA 0.271 56.701 56.400 0.050 0.000 0.953 840 E CB 0.438 30.187 29.700 0.081 0.000 0.925 840 E HN 0.448 nan 8.360 nan 0.000 0.475 841 A N 3.794 126.629 122.820 0.025 0.000 2.168 841 A HA -0.107 4.215 4.320 0.003 0.000 0.215 841 A C 0.767 178.363 177.584 0.020 0.000 1.152 841 A CA 0.938 52.990 52.037 0.025 0.000 0.716 841 A CB 0.044 19.060 19.000 0.027 0.000 0.794 841 A HN 0.715 nan 8.150 nan 0.000 0.465 842 E N -0.278 119.926 120.200 0.008 0.000 3.127 842 E HA 0.151 4.503 4.350 0.003 0.000 0.338 842 E C -3.176 173.412 176.600 -0.021 0.000 1.049 842 E CA -1.236 55.166 56.400 0.003 0.000 0.864 842 E CB 1.193 30.910 29.700 0.028 0.000 1.247 842 E HN 0.072 nan 8.360 nan 0.000 0.452 843 P HA 0.024 nan 4.420 nan 0.000 0.268 843 P C -0.179 177.085 177.300 -0.060 0.000 1.205 843 P CA -0.049 62.989 63.100 -0.103 0.000 0.771 843 P CB 0.676 32.250 31.700 -0.209 0.000 0.858 844 K N 2.396 122.771 120.400 -0.042 0.000 2.373 844 K HA 0.091 4.413 4.320 0.003 0.000 0.202 844 K C 0.051 176.637 176.600 -0.024 0.000 1.025 844 K CA 0.126 56.404 56.287 -0.015 0.000 1.115 844 K CB 0.381 32.886 32.500 0.009 0.000 0.858 844 K HN 0.695 nan 8.250 nan 0.000 0.525 845 Q N -0.980 118.768 119.800 -0.086 0.000 2.438 845 Q HA 0.673 5.015 4.340 0.003 0.000 0.272 845 Q C -0.805 175.086 176.000 -0.181 0.000 0.994 845 Q CA -1.143 54.603 55.803 -0.096 0.000 0.887 845 Q CB 1.920 30.574 28.738 -0.140 0.000 1.432 845 Q HN 0.069 nan 8.270 nan 0.000 0.392 846 G N 1.000 109.770 108.800 -0.050 0.000 2.554 846 G HA2 0.759 4.721 3.960 0.003 0.000 0.306 846 G HA3 0.759 4.721 3.960 0.003 0.000 0.306 846 G C -1.834 173.142 174.900 0.127 0.000 1.320 846 G CA -1.020 44.059 45.100 -0.035 0.000 0.800 846 G HN 0.804 nan 8.290 nan 0.000 0.481 847 R N -0.833 119.717 120.500 0.083 0.000 2.626 847 R HA 0.623 4.965 4.340 0.003 0.000 0.274 847 R C -1.347 174.954 176.300 0.001 0.000 1.031 847 R CA -0.929 55.222 56.100 0.085 0.000 0.898 847 R CB 1.620 32.014 30.300 0.157 0.000 1.222 847 R HN 0.410 nan 8.270 nan 0.000 0.455 848 I N 2.499 123.037 120.570 -0.054 0.000 2.395 848 I HA 0.271 4.443 4.170 0.003 0.000 0.289 848 I C -0.309 175.747 176.117 -0.102 0.000 1.023 848 I CA -0.864 60.373 61.300 -0.105 0.000 1.350 848 I CB 1.666 39.528 38.000 -0.229 0.000 1.409 848 I HN 0.308 nan 8.210 nan 0.000 0.507 849 V N 6.843 126.704 119.914 -0.090 0.000 2.656 849 V HA 0.421 4.543 4.120 0.003 0.000 0.307 849 V C -0.261 175.660 176.094 -0.289 0.000 1.051 849 V CA -0.746 61.423 62.300 -0.218 0.000 0.893 849 V CB 2.067 33.738 31.823 -0.253 0.000 0.999 849 V HN 0.385 nan 8.190 nan 0.000 0.426 850 V N 4.741 124.435 119.914 -0.367 0.000 2.378 850 V HA 0.586 4.708 4.120 0.003 0.000 0.288 850 V C -0.703 175.298 176.094 -0.154 0.000 1.016 850 V CA -0.351 61.810 62.300 -0.232 0.000 0.840 850 V CB 1.006 32.620 31.823 -0.349 0.000 0.994 850 V HN 0.674 nan 8.190 nan 0.000 0.431 851 F N 2.368 122.438 119.950 0.199 0.000 2.598 851 F HA 0.719 5.248 4.527 0.003 0.000 0.327 851 F C 0.144 176.144 175.800 0.334 0.000 1.057 851 F CA -0.626 57.517 58.000 0.239 0.000 0.957 851 F CB 2.024 41.158 39.000 0.223 0.000 1.278 851 F HN 0.417 nan 8.300 nan 0.000 0.484 852 Q N 1.347 121.433 119.800 0.477 0.000 2.315 852 Q HA 0.330 4.672 4.340 0.003 0.000 0.273 852 Q C -2.222 173.923 176.000 0.241 0.000 1.053 852 Q CA -0.840 55.101 55.803 0.231 0.000 0.817 852 Q CB 2.488 31.267 28.738 0.067 0.000 1.326 852 Q HN 0.712 nan 8.270 nan 0.000 0.423 853 Y N 1.935 122.246 120.300 0.019 0.000 2.341 853 Y HA 0.490 5.041 4.550 0.003 0.000 0.337 853 Y C -0.553 175.318 175.900 -0.048 0.000 1.014 853 Y CA 0.101 58.214 58.100 0.021 0.000 1.111 853 Y CB 1.751 40.273 38.460 0.103 0.000 1.194 853 Y HN 0.753 nan 8.280 nan 0.000 0.462 854 S N 2.596 117.982 115.700 -0.524 0.000 3.884 854 S HA 0.094 4.566 4.470 0.003 0.000 0.212 854 S C 0.417 174.767 174.600 -0.417 0.000 1.037 854 S CA -0.192 57.788 58.200 -0.367 0.000 1.611 854 S CB 0.076 63.118 63.200 -0.263 0.000 0.898 854 S HN 0.771 nan 8.310 nan 0.000 0.672 855 D N 0.601 120.822 120.400 -0.298 0.000 2.264 855 D HA 0.180 4.822 4.640 0.003 0.000 0.208 855 D C 1.097 177.216 176.300 -0.302 0.000 0.966 855 D CA 1.339 55.200 54.000 -0.231 0.000 0.864 855 D CB -0.019 40.694 40.800 -0.146 0.000 0.933 855 D HN 0.609 nan 8.370 nan 0.000 0.499 856 G N -1.349 107.165 108.800 -0.476 0.000 4.660 856 G HA2 -0.059 3.903 3.960 0.003 0.000 0.217 856 G HA3 -0.059 3.903 3.960 0.003 0.000 0.217 856 G C -0.225 174.413 174.900 -0.438 0.000 0.646 856 G CA -0.587 44.244 45.100 -0.449 0.000 0.852 856 G HN -0.033 nan 8.290 nan 0.000 0.640 857 K N 0.859 120.960 120.400 -0.497 0.000 2.110 857 K HA 0.636 4.958 4.320 0.003 0.000 0.263 857 K C -0.998 175.495 176.600 -0.178 0.000 0.975 857 K CA -0.771 55.341 56.287 -0.293 0.000 0.895 857 K CB 2.587 34.980 32.500 -0.179 0.000 1.060 857 K HN 0.056 nan 8.250 nan 0.000 0.448 858 L N 2.408 123.555 121.223 -0.127 0.000 2.316 858 L HA 0.251 4.593 4.340 0.003 0.000 0.280 858 L C -0.753 176.207 176.870 0.149 0.000 1.006 858 L CA -0.324 54.587 54.840 0.119 0.000 0.836 858 L CB 1.486 43.683 42.059 0.229 0.000 1.221 858 L HN 0.691 nan 8.230 nan 0.000 0.418 859 Q N 2.282 122.210 119.800 0.212 0.000 2.307 859 Q HA 0.279 4.621 4.340 0.003 0.000 0.262 859 Q C -0.455 175.714 176.000 0.282 0.000 0.961 859 Q CA -0.585 55.340 55.803 0.204 0.000 0.882 859 Q CB 1.618 30.434 28.738 0.129 0.000 1.264 859 Q HN 0.575 nan 8.270 nan 0.000 0.446 860 T N 3.673 118.354 114.554 0.211 0.000 2.972 860 T HA -0.006 4.346 4.350 0.003 0.000 0.245 860 T C 1.320 176.023 174.700 0.006 0.000 0.977 860 T CA -0.106 61.989 62.100 -0.008 0.000 1.266 860 T CB -0.194 68.659 68.868 -0.024 0.000 0.985 860 T HN 0.441 nan 8.240 nan 0.000 0.605 861 V N 1.285 121.232 119.914 0.055 0.000 2.867 861 V HA 0.150 4.272 4.120 0.003 0.000 0.260 861 V C 1.216 177.358 176.094 0.080 0.000 1.099 861 V CA 1.308 63.688 62.300 0.133 0.000 1.122 861 V CB -1.195 30.813 31.823 0.309 0.000 0.708 861 V HN 1.058 nan 8.190 nan 0.000 0.490 862 A N -0.320 122.498 122.820 -0.003 0.000 2.601 862 A HA 0.560 4.882 4.320 0.003 0.000 0.303 862 A C -0.523 177.021 177.584 -0.066 0.000 1.004 862 A CA -0.402 51.643 52.037 0.013 0.000 0.742 862 A CB 0.743 19.846 19.000 0.171 0.000 1.250 862 A HN 0.342 nan 8.150 nan 0.000 0.406 863 E N 0.592 120.761 120.200 -0.051 0.000 2.493 863 E HA 0.911 5.263 4.350 0.003 0.000 0.243 863 E C -0.551 176.022 176.600 -0.045 0.000 0.875 863 E CA -1.009 55.348 56.400 -0.071 0.000 0.872 863 E CB 1.516 31.177 29.700 -0.064 0.000 1.476 863 E HN 0.661 nan 8.360 nan 0.000 0.394 864 K N 0.391 120.764 120.400 -0.045 0.000 2.487 864 K HA 0.120 4.442 4.320 0.003 0.000 0.307 864 K C -1.753 174.847 176.600 -0.000 0.000 1.160 864 K CA -0.001 56.269 56.287 -0.029 0.000 1.087 864 K CB 1.317 33.773 32.500 -0.073 0.000 1.390 864 K HN 0.587 nan 8.250 nan 0.000 0.453 865 E N 2.120 122.331 120.200 0.019 0.000 2.408 865 E HA 0.450 4.802 4.350 0.003 0.000 0.259 865 E C -0.651 176.016 176.600 0.111 0.000 1.110 865 E CA -0.284 56.161 56.400 0.074 0.000 0.929 865 E CB 0.824 30.550 29.700 0.043 0.000 0.971 865 E HN 0.413 nan 8.360 nan 0.000 0.438 866 V N -0.586 119.417 119.914 0.148 0.000 3.178 866 V HA 0.354 4.476 4.120 0.003 0.000 0.302 866 V C -0.587 175.577 176.094 0.117 0.000 1.262 866 V CA -1.017 61.360 62.300 0.128 0.000 1.030 866 V CB 1.858 33.746 31.823 0.110 0.000 1.074 866 V HN 0.698 nan 8.190 nan 0.000 0.438 867 K N 1.402 121.859 120.400 0.095 0.000 2.500 867 K HA 0.623 4.945 4.320 0.003 0.000 0.206 867 K C 0.464 177.085 176.600 0.035 0.000 1.034 867 K CA 0.537 56.869 56.287 0.075 0.000 1.179 867 K CB 0.636 33.185 32.500 0.081 0.000 0.884 867 K HN 1.064 nan 8.250 nan 0.000 0.493 868 G N 0.244 109.047 108.800 0.005 0.000 2.731 868 G HA2 0.570 4.532 3.960 0.003 0.000 0.309 868 G HA3 0.570 4.532 3.960 0.003 0.000 0.309 868 G C -1.692 173.127 174.900 -0.136 0.000 1.273 868 G CA -0.767 44.307 45.100 -0.043 0.000 0.798 868 G HN 0.085 nan 8.290 nan 0.000 0.509 869 A N -0.207 122.461 122.820 -0.253 0.000 2.260 869 A HA 0.591 4.913 4.320 0.003 0.000 0.308 869 A C -0.145 177.092 177.584 -0.580 0.000 1.254 869 A CA -0.397 51.331 52.037 -0.515 0.000 0.874 869 A CB 0.918 19.406 19.000 -0.853 0.000 1.153 869 A HN 1.069 nan 8.150 nan 0.000 0.527 870 V N 4.891 124.581 119.914 -0.373 0.000 2.326 870 V HA 0.002 4.124 4.120 0.003 0.000 0.249 870 V C 0.455 176.425 176.094 -0.206 0.000 1.114 870 V CA 0.436 62.607 62.300 -0.216 0.000 1.028 870 V CB -1.485 30.275 31.823 -0.105 0.000 1.170 870 V HN 0.977 nan 8.190 nan 0.000 0.494 871 Y N 2.483 122.756 120.300 -0.046 0.000 2.439 871 Y HA 0.022 4.574 4.550 0.003 0.000 0.292 871 Y C 1.448 177.321 175.900 -0.046 0.000 1.130 871 Y CA 0.875 58.933 58.100 -0.071 0.000 1.254 871 Y CB 0.529 38.906 38.460 -0.138 0.000 1.000 871 Y HN 0.723 nan 8.280 nan 0.000 0.554 872 S N 0.049 115.821 115.700 0.120 0.000 2.586 872 S HA 0.588 5.060 4.470 0.003 0.000 0.277 872 S C -1.205 173.440 174.600 0.075 0.000 1.131 872 S CA -1.075 57.185 58.200 0.100 0.000 0.848 872 S CB 0.974 64.243 63.200 0.115 0.000 1.091 872 S HN 0.171 nan 8.310 nan 0.000 0.453 873 M N 1.996 121.641 119.600 0.074 0.000 2.371 873 M HA 0.786 5.269 4.480 0.003 0.000 0.287 873 M C -1.449 174.897 176.300 0.077 0.000 1.149 873 M CA -0.898 54.442 55.300 0.067 0.000 0.929 873 M CB 1.546 34.178 32.600 0.053 0.000 1.683 873 M HN 0.670 nan 8.290 nan 0.000 0.470 874 V N 1.007 120.965 119.914 0.074 0.000 3.096 874 V HA 0.553 4.675 4.120 0.003 0.000 0.319 874 V C -0.586 175.575 176.094 0.112 0.000 1.103 874 V CA -0.325 62.032 62.300 0.095 0.000 1.016 874 V CB 2.034 33.917 31.823 0.100 0.000 1.090 874 V HN 0.999 nan 8.190 nan 0.000 0.449 875 E N 2.854 123.125 120.200 0.120 0.000 2.152 875 E HA 0.113 4.465 4.350 0.003 0.000 0.285 875 E C -0.525 176.197 176.600 0.203 0.000 1.043 875 E CA -0.209 56.264 56.400 0.122 0.000 0.839 875 E CB 1.020 30.765 29.700 0.076 0.000 1.069 875 E HN 0.652 nan 8.360 nan 0.000 0.399 876 F N 4.759 124.718 119.950 0.015 0.000 2.103 876 F HA 0.164 4.693 4.527 0.004 0.000 0.278 876 F C 0.594 176.391 175.800 -0.006 0.000 1.176 876 F CA 0.692 58.698 58.000 0.011 0.000 1.116 876 F CB 0.222 39.233 39.000 0.019 0.000 1.030 876 F HN 0.422 nan 8.300 nan 0.000 0.498 877 N N -0.171 118.450 118.700 -0.131 0.000 2.690 877 N HA 0.254 4.996 4.740 0.003 0.000 0.255 877 N C 0.349 175.838 175.510 -0.035 0.000 1.195 877 N CA 0.555 53.501 53.050 -0.174 0.000 0.790 877 N CB 1.233 39.541 38.487 -0.298 0.000 1.216 877 N HN 0.630 nan 8.380 nan 0.000 0.528 878 G N 1.488 110.291 108.800 0.004 0.000 2.200 878 G HA2 -0.337 3.625 3.960 0.003 0.000 0.268 878 G HA3 -0.337 3.625 3.960 0.003 0.000 0.268 878 G C 0.146 175.083 174.900 0.062 0.000 0.986 878 G CA 0.883 46.005 45.100 0.038 0.000 0.677 878 G HN 0.446 nan 8.290 nan 0.000 0.532 879 K N -0.941 119.504 120.400 0.076 0.000 2.185 879 K HA 0.695 5.017 4.320 0.003 0.000 0.240 879 K C -0.818 175.862 176.600 0.132 0.000 0.983 879 K CA -1.154 55.201 56.287 0.112 0.000 0.873 879 K CB 2.140 34.711 32.500 0.117 0.000 1.118 879 K HN 0.087 nan 8.250 nan 0.000 0.441 880 L N 3.137 124.443 121.223 0.138 0.000 2.335 880 L HA 0.242 4.584 4.340 0.003 0.000 0.268 880 L C -1.094 175.900 176.870 0.206 0.000 1.037 880 L CA -0.744 54.173 54.840 0.128 0.000 0.895 880 L CB 0.609 42.682 42.059 0.022 0.000 1.266 880 L HN 0.453 nan 8.230 nan 0.000 0.439 881 L N 4.973 126.292 121.223 0.160 0.000 2.416 881 L HA 0.708 5.050 4.340 0.003 0.000 0.272 881 L C -0.188 176.745 176.870 0.105 0.000 1.161 881 L CA 0.359 55.261 54.840 0.103 0.000 0.845 881 L CB 0.935 42.950 42.059 -0.072 0.000 1.119 881 L HN 0.720 nan 8.230 nan 0.000 0.464 882 A N 3.418 126.314 122.820 0.128 0.000 2.604 882 A HA 0.494 4.816 4.320 0.003 0.000 0.285 882 A C -0.198 177.449 177.584 0.105 0.000 1.095 882 A CA -0.091 52.021 52.037 0.125 0.000 0.842 882 A CB 0.276 19.382 19.000 0.176 0.000 1.385 882 A HN 0.969 nan 8.150 nan 0.000 0.404 883 S N 1.495 117.233 115.700 0.063 0.000 2.575 883 S HA 0.361 4.833 4.470 0.003 0.000 0.295 883 S C -0.085 174.571 174.600 0.094 0.000 1.267 883 S CA 0.445 58.686 58.200 0.069 0.000 1.074 883 S CB -0.423 62.819 63.200 0.070 0.000 0.829 883 S HN 0.618 nan 8.310 nan 0.000 0.497 884 I N 3.327 123.952 120.570 0.091 0.000 2.495 884 I HA 0.409 4.581 4.170 0.003 0.000 0.277 884 I C 0.878 177.057 176.117 0.103 0.000 1.045 884 I CA -0.367 60.976 61.300 0.072 0.000 1.135 884 I CB 0.392 38.438 38.000 0.078 0.000 1.241 884 I HN 0.978 nan 8.210 nan 0.000 0.469 885 N N 2.670 121.480 118.700 0.183 0.000 2.946 885 N HA -0.315 4.427 4.740 0.003 0.000 0.228 885 N C 0.941 176.542 175.510 0.153 0.000 0.873 885 N CA 1.187 54.372 53.050 0.224 0.000 1.029 885 N CB -0.200 38.347 38.487 0.100 0.000 1.047 885 N HN 0.675 nan 8.380 nan 0.000 0.612 886 S N -3.104 112.657 115.700 0.103 0.000 3.070 886 S HA -0.067 4.405 4.470 0.003 0.000 0.092 886 S C -0.514 174.130 174.600 0.074 0.000 0.661 886 S CA 0.552 58.791 58.200 0.066 0.000 1.475 886 S CB -0.336 62.912 63.200 0.080 0.000 0.895 886 S HN 0.352 nan 8.310 nan 0.000 0.321 887 T N 2.311 116.910 114.554 0.075 0.000 2.909 887 T HA 0.602 4.954 4.350 0.003 0.000 0.289 887 T C -0.405 174.294 174.700 -0.003 0.000 1.005 887 T CA -0.161 61.930 62.100 -0.016 0.000 1.084 887 T CB 1.792 70.641 68.868 -0.030 0.000 0.975 887 T HN 0.140 nan 8.240 nan 0.000 0.509 888 V N 3.466 123.368 119.914 -0.019 0.000 2.326 888 V HA 0.410 4.532 4.120 0.003 0.000 0.281 888 V C 0.237 176.378 176.094 0.079 0.000 1.015 888 V CA -0.648 61.657 62.300 0.008 0.000 0.823 888 V CB 0.977 32.757 31.823 -0.071 0.000 1.009 888 V HN 0.673 nan 8.190 nan 0.000 0.436 889 R N 3.379 123.917 120.500 0.064 0.000 2.604 889 R HA 0.661 5.003 4.340 0.003 0.000 0.287 889 R C -1.287 175.029 176.300 0.027 0.000 0.970 889 R CA -0.923 55.172 56.100 -0.009 0.000 0.946 889 R CB 1.836 32.028 30.300 -0.181 0.000 1.127 889 R HN 0.504 nan 8.270 nan 0.000 0.473 890 L N 4.174 125.335 121.223 -0.103 0.000 2.337 890 L HA 0.361 4.703 4.340 0.003 0.000 0.269 890 L C -1.617 175.175 176.870 -0.129 0.000 1.018 890 L CA -0.323 54.487 54.840 -0.049 0.000 0.876 890 L CB 0.508 42.504 42.059 -0.106 0.000 1.236 890 L HN 0.494 nan 8.230 nan 0.000 0.436 891 Y N 2.231 122.545 120.300 0.022 0.000 2.316 891 Y HA 0.540 5.092 4.550 0.003 0.000 0.324 891 Y C 0.455 176.385 175.900 0.050 0.000 1.267 891 Y CA -0.148 57.972 58.100 0.033 0.000 1.311 891 Y CB 1.058 39.539 38.460 0.035 0.000 1.267 891 Y HN 0.508 nan 8.280 nan 0.000 0.516 892 E N 0.568 120.931 120.200 0.273 0.000 2.266 892 E HA 0.115 4.467 4.350 0.003 0.000 0.268 892 E C -1.634 175.171 176.600 0.343 0.000 0.879 892 E CA -0.772 55.770 56.400 0.237 0.000 0.762 892 E CB 1.432 31.223 29.700 0.153 0.000 1.199 892 E HN 0.641 nan 8.360 nan 0.000 0.422 893 W N 5.135 126.455 121.300 0.033 0.000 2.481 893 W HA 0.067 4.728 4.660 0.003 0.000 0.320 893 W C 0.369 176.888 176.519 0.001 0.000 1.209 893 W CA -0.691 56.650 57.345 -0.006 0.000 1.400 893 W CB 0.681 30.129 29.460 -0.021 0.000 1.361 893 W HN 0.572 nan 8.180 nan 0.000 0.456 894 T N 0.657 115.184 114.554 -0.044 0.000 2.856 894 T HA -0.121 4.231 4.350 0.003 0.000 0.329 894 T C 1.489 175.977 174.700 -0.354 0.000 1.094 894 T CA 0.648 62.642 62.100 -0.176 0.000 1.112 894 T CB 1.252 70.005 68.868 -0.191 0.000 1.009 894 T HN 0.552 nan 8.240 nan 0.000 0.550 895 T N -1.169 113.255 114.554 -0.216 0.000 3.023 895 T HA -0.013 4.339 4.350 0.003 0.000 0.266 895 T C 1.392 175.936 174.700 -0.260 0.000 1.093 895 T CA 0.831 62.804 62.100 -0.211 0.000 1.129 895 T CB -0.484 68.322 68.868 -0.104 0.000 0.899 895 T HN 0.783 nan 8.240 nan 0.000 0.491 896 E N 1.737 121.785 120.200 -0.253 0.000 2.463 896 E HA 0.030 4.382 4.350 0.003 0.000 0.201 896 E C 0.211 176.575 176.600 -0.393 0.000 1.045 896 E CA 0.209 56.461 56.400 -0.247 0.000 0.872 896 E CB -0.453 29.135 29.700 -0.186 0.000 0.797 896 E HN 0.491 nan 8.360 nan 0.000 0.538 897 K N 0.958 120.936 120.400 -0.703 0.000 3.353 897 K HA -0.147 4.175 4.320 0.003 0.000 0.272 897 K C -1.119 174.681 176.600 -1.332 0.000 1.071 897 K CA 0.346 55.819 56.287 -1.356 0.000 0.789 897 K CB -1.141 30.919 32.500 -0.734 0.000 1.325 897 K HN 0.128 nan 8.250 nan 0.000 0.464 898 D N 0.131 119.924 120.400 -1.012 0.000 2.732 898 D HA 0.336 4.978 4.640 0.003 0.000 0.229 898 D C -0.630 175.768 176.300 0.164 0.000 1.152 898 D CA -0.606 53.207 54.000 -0.312 0.000 0.854 898 D CB 1.929 42.639 40.800 -0.151 0.000 1.590 898 D HN 0.006 nan 8.370 nan 0.000 0.468 899 V N 1.271 121.431 119.914 0.409 0.000 2.427 899 V HA 0.615 4.737 4.120 0.003 0.000 0.268 899 V C -0.068 176.203 176.094 0.295 0.000 1.046 899 V CA -0.456 62.054 62.300 0.350 0.000 0.970 899 V CB 0.186 32.022 31.823 0.023 0.000 1.001 899 V HN 0.535 nan 8.190 nan 0.000 0.476 900 R N 2.293 122.983 120.500 0.317 0.000 2.513 900 R HA 0.620 4.962 4.340 0.003 0.000 0.301 900 R C -0.197 176.206 176.300 0.171 0.000 0.968 900 R CA -0.390 55.853 56.100 0.239 0.000 0.872 900 R CB 0.887 31.257 30.300 0.118 0.000 1.177 900 R HN 0.614 nan 8.270 nan 0.000 0.444 901 T N 1.988 116.569 114.554 0.045 0.000 2.923 901 T HA -0.097 4.255 4.350 0.003 0.000 0.309 901 T C 0.569 175.195 174.700 -0.123 0.000 1.059 901 T CA 0.501 62.474 62.100 -0.212 0.000 1.133 901 T CB 0.627 69.383 68.868 -0.187 0.000 1.053 901 T HN 0.873 nan 8.240 nan 0.000 0.530 902 E N 0.074 120.167 120.200 -0.178 0.000 2.357 902 E HA 0.152 4.504 4.350 0.003 0.000 0.202 902 E C 0.404 176.910 176.600 -0.155 0.000 0.855 902 E CA 0.124 56.457 56.400 -0.113 0.000 1.048 902 E CB 0.686 30.344 29.700 -0.070 0.000 1.037 902 E HN 0.903 nan 8.360 nan 0.000 0.499 903 C N -0.337 118.809 119.300 -0.257 0.000 3.321 903 C HA 0.741 5.203 4.460 0.003 0.000 0.329 903 C C -1.670 173.142 174.990 -0.296 0.000 1.394 903 C CA -1.051 57.790 59.018 -0.296 0.000 1.291 903 C CB 0.465 27.928 27.740 -0.462 0.000 1.606 903 C HN 0.568 nan 8.230 nan 0.000 0.463 904 N N -1.209 117.378 118.700 -0.188 0.000 2.504 904 N HA 0.562 5.304 4.740 0.003 0.000 0.268 904 N C -1.446 174.054 175.510 -0.018 0.000 1.184 904 N CA -0.583 52.418 53.050 -0.081 0.000 0.875 904 N CB 0.972 39.270 38.487 -0.315 0.000 1.630 904 N HN 1.085 nan 8.380 nan 0.000 0.486 905 H N -0.177 118.895 119.070 0.003 0.000 2.458 905 H HA 0.376 4.935 4.556 0.003 0.000 0.330 905 H C -0.820 174.365 175.328 -0.239 0.000 1.111 905 H CA -0.284 55.731 56.048 -0.054 0.000 1.245 905 H CB 0.846 30.552 29.762 -0.094 0.000 1.456 905 H HN 0.737 nan 8.280 nan 0.000 0.488 906 Y N 1.680 121.645 120.300 -0.559 0.000 2.430 906 Y HA 0.114 4.666 4.550 0.004 0.000 0.254 906 Y C 1.354 177.022 175.900 -0.388 0.000 1.088 906 Y CA -0.254 57.650 58.100 -0.327 0.000 1.267 906 Y CB 0.673 39.024 38.460 -0.181 0.000 1.204 906 Y HN 0.647 nan 8.280 nan 0.000 0.515 907 N N 2.512 120.856 118.700 -0.594 0.000 3.193 907 N HA -0.011 4.731 4.740 0.003 0.000 0.312 907 N C -1.293 174.208 175.510 -0.014 0.000 1.261 907 N CA 0.205 53.114 53.050 -0.235 0.000 1.208 907 N CB -0.468 37.919 38.487 -0.166 0.000 1.471 907 N HN 0.357 nan 8.380 nan 0.000 0.548 908 N N 1.761 120.455 118.700 -0.009 0.000 2.264 908 N HA 0.122 4.864 4.740 0.003 0.000 0.288 908 N C 0.755 176.239 175.510 -0.043 0.000 1.094 908 N CA -0.566 52.482 53.050 -0.004 0.000 0.817 908 N CB 1.820 40.321 38.487 0.022 0.000 1.604 908 N HN 0.055 nan 8.380 nan 0.000 0.473 909 I N 1.047 121.564 120.570 -0.087 0.000 2.226 909 I HA 0.021 4.193 4.170 0.003 0.000 0.245 909 I C 0.768 176.824 176.117 -0.101 0.000 1.100 909 I CA 1.560 62.797 61.300 -0.105 0.000 1.374 909 I CB 0.195 38.098 38.000 -0.161 0.000 1.057 909 I HN 0.651 nan 8.210 nan 0.000 0.413 910 M N -0.302 119.221 119.600 -0.129 0.000 2.574 910 M HA 0.331 4.813 4.480 0.003 0.000 0.158 910 M C -1.321 174.848 176.300 -0.219 0.000 0.927 910 M CA -0.374 54.837 55.300 -0.148 0.000 0.786 910 M CB 0.699 33.180 32.600 -0.198 0.000 2.912 910 M HN -0.037 nan 8.290 nan 0.000 0.371 911 A N 4.894 127.632 122.820 -0.137 0.000 2.473 911 A HA 0.366 4.688 4.320 0.003 0.000 0.282 911 A C 0.472 177.885 177.584 -0.285 0.000 1.163 911 A CA -0.158 51.787 52.037 -0.154 0.000 0.827 911 A CB -0.185 18.779 19.000 -0.061 0.000 1.098 911 A HN 0.996 nan 8.150 nan 0.000 0.515 912 L N 1.687 122.609 121.223 -0.501 0.000 2.513 912 L HA 0.192 4.534 4.340 0.003 0.000 0.222 912 L C -0.466 175.799 176.870 -1.008 0.000 1.096 912 L CA 0.658 54.908 54.840 -0.984 0.000 0.857 912 L CB -0.134 41.009 42.059 -1.528 0.000 1.026 912 L HN 0.783 nan 8.230 nan 0.000 0.469 913 Y N -0.567 119.713 120.300 -0.033 0.000 2.552 913 Y HA 0.607 5.159 4.550 0.003 0.000 0.337 913 Y C -0.657 175.221 175.900 -0.037 0.000 1.094 913 Y CA -1.033 57.062 58.100 -0.009 0.000 1.028 913 Y CB 1.736 40.190 38.460 -0.009 0.000 1.321 913 Y HN -0.253 nan 8.280 nan 0.000 0.456 914 L N 2.009 123.309 121.223 0.129 0.000 2.479 914 L HA 0.776 5.118 4.340 0.003 0.000 0.255 914 L C -0.941 175.952 176.870 0.039 0.000 1.026 914 L CA -1.117 53.737 54.840 0.024 0.000 0.842 914 L CB 2.450 44.486 42.059 -0.038 0.000 1.444 914 L HN 0.465 nan 8.230 nan 0.000 0.409 915 K N -0.193 120.201 120.400 -0.009 0.000 2.578 915 K HA 0.726 5.048 4.320 0.003 0.000 0.287 915 K C -1.579 175.026 176.600 0.009 0.000 1.010 915 K CA -0.815 55.491 56.287 0.032 0.000 0.889 915 K CB 2.491 35.021 32.500 0.049 0.000 1.514 915 K HN 0.638 nan 8.250 nan 0.000 0.424 916 T N 1.508 116.103 114.554 0.069 0.000 3.143 916 T HA 0.211 4.563 4.350 0.003 0.000 0.312 916 T C -1.241 173.536 174.700 0.128 0.000 0.986 916 T CA -0.611 61.568 62.100 0.131 0.000 1.024 916 T CB 1.128 70.143 68.868 0.245 0.000 1.030 916 T HN 0.142 nan 8.240 nan 0.000 0.448 917 K N 2.398 122.880 120.400 0.136 0.000 2.262 917 K HA 0.393 4.715 4.320 0.003 0.000 0.282 917 K C 1.643 178.265 176.600 0.037 0.000 1.066 917 K CA 0.172 56.512 56.287 0.089 0.000 0.901 917 K CB 0.935 33.512 32.500 0.128 0.000 1.089 917 K HN 0.865 nan 8.250 nan 0.000 0.476 918 G N 4.530 113.310 108.800 -0.034 0.000 3.013 918 G HA2 -0.427 3.535 3.960 0.003 0.000 0.294 918 G HA3 -0.427 3.535 3.960 0.003 0.000 0.294 918 G C 0.916 175.656 174.900 -0.267 0.000 1.131 918 G CA 1.655 46.680 45.100 -0.126 0.000 0.916 918 G HN 0.727 nan 8.290 nan 0.000 0.700 919 D N -0.464 119.792 120.400 -0.239 0.000 1.984 919 D HA 0.184 4.826 4.640 0.003 0.000 0.251 919 D C 0.718 176.798 176.300 -0.367 0.000 1.191 919 D CA -0.056 53.699 54.000 -0.409 0.000 0.951 919 D CB -0.215 40.518 40.800 -0.112 0.000 1.290 919 D HN 0.101 nan 8.370 nan 0.000 0.517 920 F N -0.072 119.983 119.950 0.176 0.000 2.987 920 F HA 0.369 4.897 4.527 0.001 0.000 0.302 920 F C -0.316 175.805 175.800 0.535 0.000 1.221 920 F CA -0.278 57.987 58.000 0.441 0.000 1.307 920 F CB -0.130 39.113 39.000 0.405 0.000 1.108 920 F HN -0.024 nan 8.300 nan 0.000 0.521 921 I N 1.391 122.259 120.570 0.497 0.000 2.569 921 I HA 0.483 4.655 4.170 0.003 0.000 0.296 921 I C -0.657 175.527 176.117 0.112 0.000 1.028 921 I CA -0.890 60.564 61.300 0.257 0.000 1.082 921 I CB 2.074 40.199 38.000 0.207 0.000 1.264 921 I HN -0.074 nan 8.210 nan 0.000 0.429 922 L N 5.594 126.762 121.223 -0.091 0.000 2.251 922 L HA 0.762 5.104 4.340 0.003 0.000 0.244 922 L C -0.552 176.122 176.870 -0.326 0.000 1.095 922 L CA -1.056 53.644 54.840 -0.232 0.000 0.910 922 L CB 1.687 43.513 42.059 -0.388 0.000 1.516 922 L HN 0.378 nan 8.230 nan 0.000 0.429 923 V N -1.177 118.541 119.914 -0.327 0.000 3.106 923 V HA 0.879 5.001 4.120 0.003 0.000 0.280 923 V C -1.111 174.848 176.094 -0.225 0.000 1.525 923 V CA 0.588 62.673 62.300 -0.358 0.000 0.999 923 V CB 1.654 33.173 31.823 -0.506 0.000 1.186 923 V HN 1.327 nan 8.190 nan 0.000 0.448 924 G N 3.475 112.167 108.800 -0.180 0.000 2.317 924 G HA2 0.484 4.446 3.960 0.003 0.000 0.445 924 G HA3 0.484 4.446 3.960 0.003 0.000 0.445 924 G C -1.757 173.115 174.900 -0.047 0.000 1.486 924 G CA 0.146 45.213 45.100 -0.055 0.000 0.991 924 G HN 1.387 nan 8.290 nan 0.000 0.660 925 D N -0.682 119.731 120.400 0.023 0.000 2.898 925 D HA 0.116 4.758 4.640 0.003 0.000 0.254 925 D C 0.983 177.250 176.300 -0.054 0.000 1.107 925 D CA -0.152 53.813 54.000 -0.059 0.000 0.729 925 D CB 1.660 42.398 40.800 -0.103 0.000 1.734 925 D HN 0.937 nan 8.370 nan 0.000 0.452 926 L N 3.484 124.601 121.223 -0.177 0.000 1.994 926 L HA 0.115 4.457 4.340 0.003 0.000 0.208 926 L C 1.162 177.841 176.870 -0.318 0.000 1.071 926 L CA 1.946 56.658 54.840 -0.213 0.000 0.745 926 L CB -0.231 41.637 42.059 -0.317 0.000 0.892 926 L HN 0.592 nan 8.230 nan 0.000 0.431 927 M N 0.397 119.707 119.600 -0.483 0.000 1.949 927 M HA 0.480 4.962 4.480 0.003 0.000 0.234 927 M C -0.708 175.359 176.300 -0.389 0.000 0.855 927 M CA -0.650 54.209 55.300 -0.735 0.000 0.800 927 M CB 1.426 33.155 32.600 -1.453 0.000 1.697 927 M HN 0.247 nan 8.290 nan 0.000 0.357 928 R N 1.372 121.746 120.500 -0.210 0.000 2.208 928 R HA -0.104 4.238 4.340 0.003 0.000 0.356 928 R C -1.639 174.556 176.300 -0.174 0.000 1.020 928 R CA 0.966 56.975 56.100 -0.151 0.000 0.600 928 R CB -1.935 28.280 30.300 -0.143 0.000 1.967 928 R HN 1.185 nan 8.270 nan 0.000 0.450 929 S N 0.735 116.354 115.700 -0.135 0.000 5.776 929 S HA 0.318 4.790 4.470 0.003 0.000 0.126 929 S C -0.352 174.260 174.600 0.021 0.000 1.108 929 S CA 0.778 58.955 58.200 -0.039 0.000 1.418 929 S CB 0.220 63.379 63.200 -0.067 0.000 2.040 929 S HN 1.565 nan 8.310 nan 0.000 0.591 930 V N 1.599 121.507 119.914 -0.009 0.000 2.888 930 V HA 0.889 5.011 4.120 0.003 0.000 0.309 930 V C -1.817 174.200 176.094 -0.129 0.000 1.114 930 V CA -0.946 61.330 62.300 -0.040 0.000 0.940 930 V CB 1.510 33.348 31.823 0.026 0.000 1.021 930 V HN 0.407 nan 8.190 nan 0.000 0.426 931 L N 4.462 125.574 121.223 -0.184 0.000 2.342 931 L HA 0.817 5.159 4.340 0.003 0.000 0.271 931 L C -0.499 176.206 176.870 -0.275 0.000 1.008 931 L CA -0.659 54.048 54.840 -0.221 0.000 0.818 931 L CB 1.492 43.402 42.059 -0.249 0.000 1.296 931 L HN 0.805 nan 8.230 nan 0.000 0.427 932 L N 2.297 123.381 121.223 -0.233 0.000 2.346 932 L HA 0.856 5.198 4.340 0.003 0.000 0.274 932 L C -1.316 175.432 176.870 -0.203 0.000 1.007 932 L CA -0.213 54.473 54.840 -0.257 0.000 0.818 932 L CB 1.695 43.684 42.059 -0.118 0.000 1.284 932 L HN 0.472 nan 8.230 nan 0.000 0.424 933 L N 3.141 124.239 121.223 -0.208 0.000 2.359 933 L HA 0.971 5.313 4.340 0.003 0.000 0.256 933 L C -0.798 176.052 176.870 -0.033 0.000 1.026 933 L CA -0.161 54.562 54.840 -0.196 0.000 0.828 933 L CB 2.144 43.933 42.059 -0.450 0.000 1.406 933 L HN 0.799 nan 8.230 nan 0.000 0.413 934 A N 0.267 123.128 122.820 0.068 0.000 2.423 934 A HA 0.722 5.044 4.320 0.003 0.000 0.304 934 A C -2.016 175.828 177.584 0.432 0.000 1.104 934 A CA -0.416 51.771 52.037 0.250 0.000 0.757 934 A CB 1.227 20.357 19.000 0.216 0.000 1.313 934 A HN 0.558 nan 8.150 nan 0.000 0.423 935 Y N 1.332 121.903 120.300 0.450 0.000 2.342 935 Y HA 0.577 5.129 4.550 0.003 0.000 0.334 935 Y C -0.520 175.447 175.900 0.112 0.000 1.067 935 Y CA -1.015 57.341 58.100 0.427 0.000 1.128 935 Y CB 1.375 40.253 38.460 0.698 0.000 1.200 935 Y HN 0.435 nan 8.280 nan 0.000 0.464 936 K N 7.586 127.578 120.400 -0.681 0.000 2.389 936 K HA 0.307 4.629 4.320 0.003 0.000 0.261 936 K C -2.770 173.264 176.600 -0.943 0.000 1.014 936 K CA -2.307 53.600 56.287 -0.633 0.000 0.920 936 K CB 1.150 33.473 32.500 -0.294 0.000 1.149 936 K HN 0.451 nan 8.250 nan 0.000 0.444 937 P HA -0.006 nan 4.420 nan 0.000 0.251 937 P C 0.306 177.425 177.300 -0.303 0.000 1.624 937 P CA 0.477 63.275 63.100 -0.503 0.000 0.907 937 P CB -0.048 31.429 31.700 -0.373 0.000 1.867 938 M N 0.900 120.311 119.600 -0.315 0.000 2.251 938 M HA 0.118 4.600 4.480 0.003 0.000 0.173 938 M C 0.906 177.111 176.300 -0.159 0.000 1.520 938 M CA 0.337 55.523 55.300 -0.190 0.000 1.619 938 M CB 0.272 32.768 32.600 -0.173 0.000 0.908 938 M HN -0.120 nan 8.290 nan 0.000 0.731 939 E N 0.603 120.718 120.200 -0.141 0.000 2.416 939 E HA 0.235 4.587 4.350 0.003 0.000 0.189 939 E C 0.533 177.059 176.600 -0.125 0.000 1.091 939 E CA 0.405 56.742 56.400 -0.104 0.000 0.889 939 E CB -0.903 28.754 29.700 -0.073 0.000 1.015 939 E HN 0.922 nan 8.360 nan 0.000 0.479 940 G N 1.465 110.132 108.800 -0.222 0.000 2.371 940 G HA2 -0.341 3.621 3.960 0.003 0.000 0.299 940 G HA3 -0.341 3.621 3.960 0.003 0.000 0.299 940 G C -0.473 174.310 174.900 -0.194 0.000 1.014 940 G CA 0.481 45.441 45.100 -0.235 0.000 1.097 940 G HN 0.509 nan 8.290 nan 0.000 0.512 941 N N -1.072 117.456 118.700 -0.287 0.000 2.476 941 N HA 0.606 5.348 4.740 0.003 0.000 0.276 941 N C -0.289 175.145 175.510 -0.127 0.000 1.204 941 N CA -0.675 52.264 53.050 -0.184 0.000 0.974 941 N CB 0.748 39.181 38.487 -0.090 0.000 1.204 941 N HN 0.080 nan 8.380 nan 0.000 0.543 942 F N 0.914 120.893 119.950 0.049 0.000 2.405 942 F HA 0.186 4.715 4.527 0.003 0.000 0.355 942 F C 0.830 176.659 175.800 0.049 0.000 1.121 942 F CA -0.709 57.329 58.000 0.064 0.000 1.112 942 F CB 1.125 40.170 39.000 0.074 0.000 1.126 942 F HN 0.342 nan 8.300 nan 0.000 0.481 943 E N 4.405 124.753 120.200 0.247 0.000 2.146 943 E HA 0.066 4.418 4.350 0.003 0.000 0.282 943 E C -0.668 175.996 176.600 0.107 0.000 0.989 943 E CA -0.569 55.919 56.400 0.147 0.000 0.799 943 E CB 1.060 30.816 29.700 0.093 0.000 1.088 943 E HN 0.647 nan 8.360 nan 0.000 0.397 944 E N 5.309 125.569 120.200 0.099 0.000 1.932 944 E HA 0.039 4.391 4.350 0.003 0.000 0.275 944 E C 0.556 177.176 176.600 0.034 0.000 1.159 944 E CA -0.170 56.247 56.400 0.027 0.000 0.905 944 E CB 0.304 30.071 29.700 0.113 0.000 1.059 944 E HN 0.674 nan 8.360 nan 0.000 0.400 945 I N 3.893 124.473 120.570 0.016 0.000 2.163 945 I HA -0.160 4.012 4.170 0.003 0.000 0.243 945 I C 0.889 177.049 176.117 0.071 0.000 1.085 945 I CA 1.727 63.059 61.300 0.054 0.000 1.347 945 I CB 0.018 38.059 38.000 0.068 0.000 1.044 945 I HN 0.600 nan 8.210 nan 0.000 0.408 946 A N -0.860 121.990 122.820 0.050 0.000 2.540 946 A HA 0.791 5.113 4.320 0.003 0.000 0.291 946 A C -0.896 176.690 177.584 0.003 0.000 1.083 946 A CA -0.744 51.340 52.037 0.079 0.000 0.650 946 A CB 1.109 20.186 19.000 0.129 0.000 1.292 946 A HN 0.173 nan 8.150 nan 0.000 0.435 947 R N 0.349 120.843 120.500 -0.010 0.000 2.781 947 R HA 0.690 5.032 4.340 0.003 0.000 0.269 947 R C -1.885 174.353 176.300 -0.103 0.000 1.025 947 R CA -0.669 55.338 56.100 -0.155 0.000 0.914 947 R CB 1.488 31.558 30.300 -0.383 0.000 1.236 947 R HN 0.599 nan 8.270 nan 0.000 0.465 948 D N 0.567 120.888 120.400 -0.133 0.000 2.175 948 D HA 0.259 4.901 4.640 0.003 0.000 0.248 948 D C -0.867 175.318 176.300 -0.193 0.000 1.047 948 D CA -0.527 53.459 54.000 -0.023 0.000 0.883 948 D CB 0.974 41.793 40.800 0.032 0.000 1.180 948 D HN 0.495 nan 8.370 nan 0.000 0.438 949 F N 1.949 121.838 119.950 -0.101 0.000 2.923 949 F HA 0.315 4.844 4.527 0.003 0.000 0.314 949 F C 0.195 175.950 175.800 -0.075 0.000 1.196 949 F CA -0.601 57.338 58.000 -0.102 0.000 1.320 949 F CB 0.027 38.960 39.000 -0.111 0.000 0.953 949 F HN 0.107 nan 8.300 nan 0.000 0.505 950 N N 0.397 119.093 118.700 -0.007 0.000 2.443 950 N HA 0.349 5.091 4.740 0.003 0.000 0.293 950 N C -2.373 173.111 175.510 -0.044 0.000 1.159 950 N CA -1.748 51.277 53.050 -0.041 0.000 0.904 950 N CB 1.161 39.568 38.487 -0.133 0.000 1.214 950 N HN -0.227 nan 8.380 nan 0.000 0.513 951 P HA 0.140 nan 4.420 nan 0.000 0.243 951 P C -1.180 176.205 177.300 0.141 0.000 1.668 951 P CA -0.115 63.021 63.100 0.060 0.000 0.898 951 P CB -0.239 31.526 31.700 0.108 0.000 1.637 952 N N 0.912 119.652 118.700 0.066 0.000 2.416 952 N HA -0.003 4.739 4.740 0.003 0.000 0.265 952 N C -0.420 175.219 175.510 0.215 0.000 1.195 952 N CA -0.059 53.076 53.050 0.143 0.000 0.943 952 N CB 0.149 38.651 38.487 0.026 0.000 1.115 952 N HN 0.123 nan 8.380 nan 0.000 0.481 953 W N 3.760 125.068 121.300 0.014 0.000 2.688 953 W HA 0.120 4.783 4.660 0.004 0.000 0.402 953 W C 0.475 177.025 176.519 0.052 0.000 1.188 953 W CA -0.438 56.926 57.345 0.032 0.000 1.561 953 W CB -0.424 29.051 29.460 0.024 0.000 1.653 953 W HN 0.206 nan 8.180 nan 0.000 0.442 954 M N 2.132 121.876 119.600 0.240 0.000 2.250 954 M HA 0.022 4.504 4.480 0.003 0.000 0.325 954 M C 1.357 177.779 176.300 0.204 0.000 1.084 954 M CA 0.535 55.954 55.300 0.198 0.000 1.161 954 M CB 0.347 33.082 32.600 0.226 0.000 1.481 954 M HN 0.509 nan 8.290 nan 0.000 0.449 955 S N -0.651 114.989 115.700 -0.100 0.000 2.691 955 S HA 0.591 5.063 4.470 0.003 0.000 0.258 955 S C 0.250 174.407 174.600 -0.739 0.000 1.078 955 S CA 0.172 58.234 58.200 -0.230 0.000 1.000 955 S CB 0.605 63.485 63.200 -0.533 0.000 0.942 955 S HN 0.911 nan 8.310 nan 0.000 0.521 956 A N 0.532 122.952 122.820 -0.667 0.000 2.589 956 A HA 0.764 5.086 4.320 0.003 0.000 0.296 956 A C -1.478 176.060 177.584 -0.078 0.000 1.062 956 A CA -0.592 51.108 52.037 -0.562 0.000 0.686 956 A CB 1.774 20.387 19.000 -0.646 0.000 1.282 956 A HN 0.566 nan 8.150 nan 0.000 0.404 957 V N 0.914 120.859 119.914 0.051 0.000 2.888 957 V HA 0.834 4.956 4.120 0.003 0.000 0.309 957 V C -0.765 175.316 176.094 -0.021 0.000 1.114 957 V CA -0.351 61.933 62.300 -0.027 0.000 0.940 957 V CB 2.166 33.957 31.823 -0.053 0.000 1.021 957 V HN 1.157 nan 8.190 nan 0.000 0.426 958 E N 2.597 122.647 120.200 -0.250 0.000 2.407 958 E HA 0.599 4.951 4.350 0.003 0.000 0.279 958 E C -1.907 174.656 176.600 -0.061 0.000 1.012 958 E CA -0.508 55.781 56.400 -0.186 0.000 0.800 958 E CB 1.939 31.376 29.700 -0.439 0.000 1.276 958 E HN 0.560 nan 8.360 nan 0.000 0.452 959 I N 5.046 125.685 120.570 0.115 0.000 2.339 959 I HA 0.231 4.404 4.170 0.003 0.000 0.290 959 I C 0.834 177.087 176.117 0.225 0.000 0.994 959 I CA -0.462 61.004 61.300 0.276 0.000 1.191 959 I CB 1.038 39.207 38.000 0.282 0.000 1.343 959 I HN 0.568 nan 8.210 nan 0.000 0.458 960 L N 4.292 125.583 121.223 0.114 0.000 2.127 960 L HA 0.078 4.420 4.340 0.003 0.000 0.203 960 L C 0.070 176.972 176.870 0.052 0.000 1.080 960 L CA 0.790 55.669 54.840 0.065 0.000 0.768 960 L CB -0.398 41.632 42.059 -0.048 0.000 0.924 960 L HN 0.722 nan 8.230 nan 0.000 0.444 961 D N -3.882 116.502 120.400 -0.027 0.000 2.692 961 D HA 0.047 4.689 4.640 0.003 0.000 0.290 961 D C -0.222 176.024 176.300 -0.090 0.000 1.281 961 D CA -0.660 53.313 54.000 -0.046 0.000 0.804 961 D CB 0.388 41.145 40.800 -0.071 0.000 1.331 961 D HN -0.228 nan 8.370 nan 0.000 0.432 962 D N -0.625 119.743 120.400 -0.054 0.000 2.311 962 D HA -0.115 4.527 4.640 0.003 0.000 0.204 962 D C 0.294 176.509 176.300 -0.142 0.000 1.000 962 D CA 1.924 55.907 54.000 -0.028 0.000 0.910 962 D CB 0.042 40.834 40.800 -0.014 0.000 0.900 962 D HN 0.461 nan 8.370 nan 0.000 0.463 963 D N -1.761 118.440 120.400 -0.332 0.000 2.504 963 D HA 0.074 4.716 4.640 0.003 0.000 0.276 963 D C -0.080 175.656 176.300 -0.939 0.000 1.073 963 D CA -0.158 53.550 54.000 -0.488 0.000 0.905 963 D CB 0.339 40.981 40.800 -0.264 0.000 1.350 963 D HN -0.056 nan 8.370 nan 0.000 0.496 964 N N 0.724 118.983 118.700 -0.734 0.000 2.472 964 N HA 0.292 5.034 4.740 0.003 0.000 0.277 964 N C -1.160 173.962 175.510 -0.647 0.000 1.081 964 N CA 0.104 52.779 53.050 -0.624 0.000 0.973 964 N CB 0.618 38.913 38.487 -0.321 0.000 1.105 964 N HN 0.032 nan 8.380 nan 0.000 0.470 965 F N 1.749 121.649 119.950 -0.085 0.000 2.496 965 F HA 0.349 4.878 4.527 0.003 0.000 0.341 965 F C 0.473 176.145 175.800 -0.214 0.000 1.134 965 F CA -0.912 57.014 58.000 -0.123 0.000 0.968 965 F CB 1.528 40.483 39.000 -0.076 0.000 1.205 965 F HN 0.066 nan 8.300 nan 0.000 0.436 966 L N 2.706 123.848 121.223 -0.135 0.000 2.417 966 L HA 0.732 5.074 4.340 0.003 0.000 0.268 966 L C 0.335 176.860 176.870 -0.575 0.000 1.158 966 L CA 0.054 54.650 54.840 -0.406 0.000 0.819 966 L CB 1.255 42.915 42.059 -0.665 0.000 1.112 966 L HN 0.839 nan 8.230 nan 0.000 0.458 967 G N 2.090 110.456 108.800 -0.723 0.000 2.755 967 G HA2 0.643 4.605 3.960 0.003 0.000 0.297 967 G HA3 0.643 4.605 3.960 0.003 0.000 0.297 967 G C -1.980 172.569 174.900 -0.584 0.000 1.441 967 G CA -0.022 44.595 45.100 -0.805 0.000 0.964 967 G HN 0.850 nan 8.290 nan 0.000 0.540 968 A N 1.131 123.842 122.820 -0.182 0.000 2.498 968 A HA 0.968 5.290 4.320 0.003 0.000 0.298 968 A C -0.691 176.820 177.584 -0.123 0.000 1.075 968 A CA -0.580 51.381 52.037 -0.127 0.000 0.714 968 A CB 2.453 21.333 19.000 -0.200 0.000 1.299 968 A HN 1.211 nan 8.150 nan 0.000 0.407 969 E N 1.544 121.642 120.200 -0.170 0.000 2.412 969 E HA 0.227 4.579 4.350 0.003 0.000 0.279 969 E C 0.144 176.559 176.600 -0.308 0.000 0.984 969 E CA -0.562 55.751 56.400 -0.145 0.000 0.788 969 E CB 0.874 30.645 29.700 0.118 0.000 1.277 969 E HN 0.544 nan 8.360 nan 0.000 0.455 970 N N 1.723 120.316 118.700 -0.178 0.000 1.746 970 N HA -0.338 4.404 4.740 0.003 0.000 0.137 970 N C 0.553 175.794 175.510 -0.448 0.000 0.489 970 N CA 3.646 56.623 53.050 -0.121 0.000 0.918 970 N CB -0.470 37.983 38.487 -0.056 0.000 0.757 970 N HN 0.666 nan 8.380 nan 0.000 1.339 971 A N -2.142 120.282 122.820 -0.660 0.000 2.568 971 A HA 0.478 4.801 4.320 0.003 0.000 0.287 971 A C 0.077 177.037 177.584 -1.040 0.000 0.967 971 A CA 0.024 51.459 52.037 -1.003 0.000 1.004 971 A CB -0.514 18.211 19.000 -0.458 0.000 1.233 971 A HN 0.356 nan 8.150 nan 0.000 0.513 972 F N -0.869 118.949 119.950 -0.219 0.000 3.074 972 F HA -0.230 4.299 4.527 0.003 0.000 0.289 972 F C 0.100 175.534 175.800 -0.610 0.000 0.863 972 F CA 0.353 58.108 58.000 -0.409 0.000 1.121 972 F CB -2.296 36.456 39.000 -0.413 0.000 1.169 972 F HN 0.405 nan 8.300 nan 0.000 0.570 973 N N 1.316 119.777 118.700 -0.399 0.000 2.384 973 N HA 0.791 5.533 4.740 0.003 0.000 0.301 973 N C -0.413 174.985 175.510 -0.188 0.000 1.133 973 N CA -0.669 52.147 53.050 -0.390 0.000 0.853 973 N CB 2.321 40.371 38.487 -0.728 0.000 1.241 973 N HN 0.115 nan 8.380 nan 0.000 0.502 974 L N 1.244 122.388 121.223 -0.132 0.000 2.334 974 L HA 0.639 4.981 4.340 0.003 0.000 0.273 974 L C -0.816 176.169 176.870 0.191 0.000 1.013 974 L CA -0.974 53.793 54.840 -0.121 0.000 0.816 974 L CB 0.982 42.774 42.059 -0.445 0.000 1.278 974 L HN 0.581 nan 8.230 nan 0.000 0.431 975 F N 0.512 120.542 119.950 0.132 0.000 2.654 975 F HA 0.790 5.319 4.527 0.003 0.000 0.308 975 F C -1.535 174.408 175.800 0.237 0.000 1.108 975 F CA -0.999 57.161 58.000 0.267 0.000 0.957 975 F CB 1.228 40.387 39.000 0.265 0.000 1.309 975 F HN 0.018 nan 8.300 nan 0.000 0.446 976 V N 1.591 121.751 119.914 0.409 0.000 2.680 976 V HA 0.630 4.752 4.120 0.003 0.000 0.309 976 V C -0.780 175.451 176.094 0.227 0.000 1.052 976 V CA -0.655 61.750 62.300 0.175 0.000 0.908 976 V CB 1.834 33.687 31.823 0.049 0.000 1.001 976 V HN 1.121 nan 8.190 nan 0.000 0.431 977 C N 4.009 123.418 119.300 0.181 0.000 2.563 977 C HA 0.762 5.224 4.460 0.003 0.000 0.314 977 C C -0.231 174.764 174.990 0.009 0.000 1.199 977 C CA -0.807 58.319 59.018 0.179 0.000 1.564 977 C CB 1.434 29.375 27.740 0.336 0.000 2.173 977 C HN 0.985 nan 8.230 nan 0.000 0.485 978 Q N 2.153 121.932 119.800 -0.036 0.000 2.458 978 Q HA 0.588 4.930 4.340 0.003 0.000 0.282 978 Q C -1.264 174.730 176.000 -0.011 0.000 1.106 978 Q CA -0.829 54.896 55.803 -0.130 0.000 0.814 978 Q CB 1.543 30.164 28.738 -0.194 0.000 1.425 978 Q HN 0.677 nan 8.270 nan 0.000 0.437 979 K N 0.919 121.314 120.400 -0.008 0.000 2.298 979 K HA 0.126 4.448 4.320 0.003 0.000 0.280 979 K C -0.679 175.936 176.600 0.025 0.000 1.032 979 K CA -0.406 55.914 56.287 0.054 0.000 0.958 979 K CB 0.620 33.168 32.500 0.079 0.000 0.978 979 K HN 0.649 nan 8.250 nan 0.000 0.472 980 D N 2.079 122.507 120.400 0.047 0.000 2.357 980 D HA -0.040 4.602 4.640 0.003 0.000 0.265 980 D C -0.669 175.639 176.300 0.013 0.000 1.334 980 D CA 0.202 54.216 54.000 0.024 0.000 0.984 980 D CB 0.073 40.895 40.800 0.037 0.000 1.077 980 D HN 0.370 nan 8.370 nan 0.000 0.514 981 S N 2.577 118.275 115.700 -0.004 0.000 2.560 981 S HA 0.433 4.905 4.470 0.003 0.000 0.323 981 S C -0.110 174.486 174.600 -0.007 0.000 1.191 981 S CA -0.201 57.995 58.200 -0.006 0.000 1.231 981 S CB -0.246 62.944 63.200 -0.017 0.000 1.224 981 S HN 0.573 nan 8.310 nan 0.000 0.545 982 A N 2.709 125.528 122.820 -0.002 0.000 2.606 982 A HA 0.856 5.178 4.320 0.003 0.000 0.293 982 A C -0.131 177.450 177.584 -0.005 0.000 1.082 982 A CA -0.602 51.430 52.037 -0.007 0.000 0.685 982 A CB 0.770 19.762 19.000 -0.012 0.000 1.284 982 A HN 0.809 nan 8.150 nan 0.000 0.408 983 A N 0.432 123.247 122.820 -0.010 0.000 2.346 983 A HA 0.600 4.922 4.320 0.003 0.000 0.255 983 A C 1.275 178.851 177.584 -0.012 0.000 1.113 983 A CA 1.111 53.143 52.037 -0.009 0.000 0.798 983 A CB -0.643 18.350 19.000 -0.011 0.000 1.073 983 A HN 2.785 nan 8.150 nan 0.000 0.502 984 T N -2.619 111.929 114.554 -0.010 0.000 4.290 984 T HA -0.209 4.144 4.350 0.003 0.000 0.334 984 T C 0.307 175.001 174.700 -0.009 0.000 0.761 984 T CA 1.485 63.577 62.100 -0.014 0.000 1.950 984 T CB -3.001 65.851 68.868 -0.026 0.000 1.898 984 T HN 2.436 nan 8.240 nan 0.000 0.906 985 T N -1.579 112.977 114.554 0.002 0.000 4.622 985 T HA 0.444 4.796 4.350 0.003 0.000 0.223 985 T C 0.377 175.090 174.700 0.022 0.000 0.939 985 T CA 0.408 62.516 62.100 0.014 0.000 1.070 985 T CB -0.118 68.762 68.868 0.019 0.000 1.391 985 T HN 0.499 nan 8.240 nan 0.000 1.063 986 D N -0.434 119.977 120.400 0.018 0.000 2.489 986 D HA 0.170 4.812 4.640 0.003 0.000 0.343 986 D C 1.094 177.412 176.300 0.031 0.000 1.295 986 D CA -0.108 53.910 54.000 0.031 0.000 0.908 986 D CB 0.641 41.454 40.800 0.022 0.000 1.382 986 D HN 0.481 nan 8.370 nan 0.000 0.468 987 E N 0.108 120.305 120.200 -0.005 0.000 3.203 987 E HA 0.226 4.578 4.350 0.003 0.000 0.200 987 E C 0.621 177.164 176.600 -0.095 0.000 1.089 987 E CA 0.332 56.696 56.400 -0.061 0.000 1.430 987 E CB 0.266 29.880 29.700 -0.144 0.000 1.328 987 E HN -0.011 nan 8.360 nan 0.000 0.580 988 E N 0.194 120.336 120.200 -0.096 0.000 2.520 988 E HA -0.093 4.259 4.350 0.003 0.000 0.201 988 E C 1.151 177.767 176.600 0.026 0.000 1.122 988 E CA 0.289 56.652 56.400 -0.062 0.000 0.896 988 E CB 0.212 29.878 29.700 -0.056 0.000 0.891 988 E HN -0.113 nan 8.360 nan 0.000 0.533 989 R N -0.405 120.135 120.500 0.067 0.000 2.383 989 R HA 0.068 4.410 4.340 0.003 0.000 0.205 989 R C 1.576 177.970 176.300 0.158 0.000 0.875 989 R CA 0.404 56.562 56.100 0.096 0.000 1.039 989 R CB 0.304 30.645 30.300 0.068 0.000 1.267 989 R HN -0.104 nan 8.270 nan 0.000 0.635 990 Q N 0.029 119.960 119.800 0.218 0.000 2.482 990 Q HA 0.080 4.422 4.340 0.003 0.000 0.209 990 Q C -0.758 175.480 176.000 0.398 0.000 0.961 990 Q CA 0.742 56.719 55.803 0.290 0.000 0.945 990 Q CB 0.096 29.022 28.738 0.312 0.000 1.012 990 Q HN 0.379 nan 8.270 nan 0.000 0.515 991 H N -0.426 118.745 119.070 0.169 0.000 2.600 991 H HA 0.429 4.986 4.556 0.003 0.000 0.357 991 H C -1.239 174.180 175.328 0.151 0.000 1.106 991 H CA -1.194 54.983 56.048 0.216 0.000 1.193 991 H CB 1.440 31.236 29.762 0.056 0.000 1.594 991 H HN -0.035 nan 8.280 nan 0.000 0.526 992 L N 0.637 122.010 121.223 0.250 0.000 2.385 992 L HA 0.498 4.840 4.340 0.003 0.000 0.273 992 L C -0.380 176.580 176.870 0.149 0.000 0.990 992 L CA -1.076 53.869 54.840 0.175 0.000 0.821 992 L CB 1.566 43.736 42.059 0.185 0.000 1.279 992 L HN 0.411 nan 8.230 nan 0.000 0.412 993 Q N 1.013 120.872 119.800 0.098 0.000 2.227 993 Q HA 0.399 4.741 4.340 0.003 0.000 0.245 993 Q C -0.557 175.478 176.000 0.057 0.000 0.926 993 Q CA -0.181 55.663 55.803 0.067 0.000 0.895 993 Q CB 1.478 30.233 28.738 0.029 0.000 1.230 993 Q HN 0.590 nan 8.270 nan 0.000 0.450 994 E N 1.716 121.931 120.200 0.025 0.000 1.775 994 E HA 0.000 4.352 4.350 0.003 0.000 0.266 994 E C 0.497 177.106 176.600 0.015 0.000 1.191 994 E CA -0.017 56.400 56.400 0.028 0.000 1.048 994 E CB 0.102 29.742 29.700 -0.099 0.000 1.081 994 E HN 0.518 nan 8.360 nan 0.000 0.434 995 V N 0.159 120.088 119.914 0.025 0.000 3.306 995 V HA 0.187 4.309 4.120 0.003 0.000 0.264 995 V C 0.794 176.876 176.094 -0.020 0.000 1.149 995 V CA 0.600 62.879 62.300 -0.035 0.000 1.143 995 V CB 0.249 32.006 31.823 -0.111 0.000 0.767 995 V HN 0.340 nan 8.190 nan 0.000 0.476 996 G N 0.480 109.337 108.800 0.094 0.000 2.666 996 G HA2 0.694 4.656 3.960 0.003 0.000 0.303 996 G HA3 0.694 4.656 3.960 0.003 0.000 0.303 996 G C -1.449 173.747 174.900 0.494 0.000 1.412 996 G CA -0.618 44.615 45.100 0.223 0.000 0.979 996 G HN 0.227 nan 8.290 nan 0.000 0.507 997 L N 1.489 123.041 121.223 0.549 0.000 2.422 997 L HA 0.772 5.114 4.340 0.003 0.000 0.264 997 L C -1.441 175.784 176.870 0.592 0.000 0.984 997 L CA -0.949 54.196 54.840 0.508 0.000 0.819 997 L CB 2.790 44.975 42.059 0.210 0.000 1.330 997 L HN 0.558 nan 8.230 nan 0.000 0.410 998 F N 1.020 121.100 119.950 0.216 0.000 2.660 998 F HA 0.234 4.763 4.527 0.004 0.000 0.320 998 F C -1.046 174.626 175.800 -0.214 0.000 1.099 998 F CA -0.600 57.340 58.000 -0.101 0.000 1.061 998 F CB 1.118 39.792 39.000 -0.544 0.000 1.300 998 F HN 0.486 nan 8.300 nan 0.000 0.479 999 H N 6.736 125.262 119.070 -0.907 0.000 2.690 999 H HA 0.377 4.935 4.556 0.003 0.000 0.289 999 H C 0.396 175.071 175.328 -1.088 0.000 1.089 999 H CA -0.041 55.491 56.048 -0.860 0.000 1.299 999 H CB 0.970 30.226 29.762 -0.845 0.000 1.405 999 H HN 0.795 nan 8.280 nan 0.000 0.463 1000 L N 3.861 124.598 121.223 -0.810 0.000 2.007 1000 L HA 0.069 4.411 4.340 0.003 0.000 0.205 1000 L C 1.239 177.781 176.870 -0.546 0.000 1.073 1000 L CA 1.749 56.304 54.840 -0.475 0.000 0.744 1000 L CB -0.341 41.537 42.059 -0.301 0.000 0.898 1000 L HN 1.047 nan 8.230 nan 0.000 0.435 1001 G N -0.092 108.311 108.800 -0.661 0.000 2.134 1001 G HA2 -0.153 3.809 3.960 0.003 0.000 0.209 1001 G HA3 -0.153 3.809 3.960 0.003 0.000 0.209 1001 G C -0.123 174.654 174.900 -0.205 0.000 0.993 1001 G CA -0.164 44.725 45.100 -0.352 0.000 0.669 1001 G HN 0.371 nan 8.290 nan 0.000 0.519 1002 E N -1.085 119.007 120.200 -0.181 0.000 2.369 1002 E HA 0.603 4.955 4.350 0.003 0.000 0.270 1002 E C -1.124 175.515 176.600 0.065 0.000 0.909 1002 E CA -0.999 55.334 56.400 -0.110 0.000 0.775 1002 E CB 1.879 31.572 29.700 -0.012 0.000 1.270 1002 E HN 0.160 nan 8.360 nan 0.000 0.445 1003 F N 1.748 121.701 119.950 0.004 0.000 2.404 1003 F HA 0.271 4.801 4.527 0.004 0.000 0.358 1003 F C -0.465 175.314 175.800 -0.036 0.000 1.120 1003 F CA -0.562 57.527 58.000 0.148 0.000 1.144 1003 F CB 0.698 39.829 39.000 0.217 0.000 1.133 1003 F HN 0.039 nan 8.300 nan 0.000 0.495 1004 V N 7.819 127.448 119.914 -0.476 0.000 2.364 1004 V HA 0.118 4.240 4.120 0.003 0.000 0.272 1004 V C 0.552 176.425 176.094 -0.369 0.000 1.036 1004 V CA -0.416 61.636 62.300 -0.414 0.000 0.880 1004 V CB 1.088 32.473 31.823 -0.729 0.000 0.991 1004 V HN 0.798 nan 8.190 nan 0.000 0.460 1005 N N 3.068 121.697 118.700 -0.120 0.000 2.290 1005 N HA 0.033 4.776 4.740 0.003 0.000 0.179 1005 N C 0.151 175.543 175.510 -0.197 0.000 1.016 1005 N CA 0.896 53.903 53.050 -0.073 0.000 0.871 1005 N CB 0.957 39.475 38.487 0.052 0.000 0.987 1005 N HN 0.509 nan 8.380 nan 0.000 0.431 1006 V N 0.236 119.993 119.914 -0.262 0.000 2.777 1006 V HA 0.485 4.607 4.120 0.003 0.000 0.306 1006 V C -1.615 174.330 176.094 -0.249 0.000 1.112 1006 V CA -0.862 61.321 62.300 -0.196 0.000 0.917 1006 V CB 1.167 32.961 31.823 -0.048 0.000 1.018 1006 V HN -0.089 nan 8.190 nan 0.000 0.426 1007 F N 5.301 125.245 119.950 -0.010 0.000 2.440 1007 F HA 0.888 5.417 4.527 0.004 0.000 0.328 1007 F C 0.561 176.360 175.800 -0.001 0.000 1.070 1007 F CA 0.136 58.140 58.000 0.008 0.000 1.011 1007 F CB 1.797 40.769 39.000 -0.048 0.000 1.226 1007 F HN 0.986 nan 8.300 nan 0.000 0.491 1008 C N -0.770 118.638 119.300 0.179 0.000 3.307 1008 C HA 0.447 4.909 4.460 0.003 0.000 0.333 1008 C C -1.065 173.920 174.990 -0.007 0.000 1.291 1008 C CA -1.075 58.006 59.018 0.105 0.000 1.273 1008 C CB 1.240 29.057 27.740 0.128 0.000 1.580 1008 C HN 0.815 nan 8.230 nan 0.000 0.481 1009 H N 0.784 119.912 119.070 0.096 0.000 2.652 1009 H HA 0.617 5.176 4.556 0.004 0.000 0.349 1009 H C 0.685 176.050 175.328 0.062 0.000 1.099 1009 H CA 1.643 57.733 56.048 0.070 0.000 1.417 1009 H CB 1.405 31.200 29.762 0.056 0.000 1.457 1009 H HN 1.366 nan 8.280 nan 0.000 0.568 1010 G N 0.122 109.006 108.800 0.141 0.000 2.336 1010 G HA2 0.290 4.252 3.960 0.003 0.000 0.300 1010 G HA3 0.290 4.252 3.960 0.003 0.000 0.300 1010 G C -1.503 173.431 174.900 0.057 0.000 1.375 1010 G CA -0.262 44.891 45.100 0.089 0.000 0.885 1010 G HN 0.654 nan 8.290 nan 0.000 0.599 1011 S N -1.417 114.309 115.700 0.043 0.000 2.543 1011 S HA 0.536 5.008 4.470 0.003 0.000 0.274 1011 S C -0.024 174.593 174.600 0.029 0.000 1.149 1011 S CA -0.639 57.582 58.200 0.034 0.000 0.866 1011 S CB 1.226 64.448 63.200 0.037 0.000 1.111 1011 S HN 0.939 nan 8.310 nan 0.000 0.457 1012 L N 3.212 124.453 121.223 0.032 0.000 2.700 1012 L HA 0.323 4.665 4.340 0.003 0.000 0.234 1012 L C 0.234 177.116 176.870 0.020 0.000 1.156 1012 L CA -0.087 54.768 54.840 0.025 0.000 0.946 1012 L CB -0.144 41.930 42.059 0.026 0.000 1.216 1012 L HN 0.550 nan 8.230 nan 0.000 0.493 1013 V N -3.409 116.517 119.914 0.020 0.000 3.145 1013 V HA 0.791 4.913 4.120 0.003 0.000 0.311 1013 V C -0.047 176.048 176.094 0.002 0.000 1.238 1013 V CA -1.245 61.059 62.300 0.007 0.000 1.066 1013 V CB 1.603 33.429 31.823 0.005 0.000 1.144 1013 V HN 0.402 nan 8.190 nan 0.000 0.465 1014 M N -1.799 117.796 119.600 -0.009 0.000 7.319 1014 M HA -0.098 4.384 4.480 0.003 0.000 0.157 1014 M C -0.328 175.967 176.300 -0.009 0.000 0.480 1014 M CA 0.772 56.065 55.300 -0.011 0.000 1.311 1014 M CB -1.673 30.921 32.600 -0.009 0.000 0.421 1014 M HN 1.255 nan 8.290 nan 0.000 0.194 1024 T N -2.093 112.191 114.554 -0.450 0.000 2.816 1024 T HA 0.720 5.072 4.350 0.003 0.000 0.299 1024 T C -1.363 173.228 174.700 -0.181 0.000 1.230 1024 T CA -0.640 61.291 62.100 -0.282 0.000 1.007 1024 T CB 2.907 71.638 68.868 -0.229 0.000 1.289 1024 T HN 0.156 nan 8.240 nan 0.000 0.508 1025 Q N -0.291 119.442 119.800 -0.112 0.000 2.394 1025 Q HA 0.561 4.903 4.340 0.003 0.000 0.273 1025 Q C 0.342 176.325 176.000 -0.028 0.000 1.089 1025 Q CA 0.105 55.866 55.803 -0.070 0.000 0.812 1025 Q CB 1.579 30.280 28.738 -0.062 0.000 1.353 1025 Q HN 1.561 nan 8.270 nan 0.000 0.438 1026 G N 1.269 110.066 108.800 -0.005 0.000 2.806 1026 G HA2 -0.191 3.771 3.960 0.003 0.000 0.236 1026 G HA3 -0.191 3.771 3.960 0.003 0.000 0.236 1026 G C -0.667 174.257 174.900 0.041 0.000 1.387 1026 G CA -0.018 45.105 45.100 0.040 0.000 0.884 1026 G HN 0.860 nan 8.290 nan 0.000 0.560 1027 S N -1.812 113.929 115.700 0.069 0.000 2.511 1027 S HA 0.465 4.937 4.470 0.003 0.000 0.283 1027 S C -0.915 173.695 174.600 0.016 0.000 1.078 1027 S CA 0.123 58.350 58.200 0.045 0.000 0.994 1027 S CB 1.103 64.329 63.200 0.044 0.000 1.171 1027 S HN 1.622 nan 8.310 nan 0.000 0.444 1028 V N 6.320 126.220 119.914 -0.023 0.000 2.444 1028 V HA 0.591 4.713 4.120 0.003 0.000 0.294 1028 V C -0.331 175.788 176.094 0.042 0.000 1.022 1028 V CA -0.510 61.736 62.300 -0.091 0.000 0.850 1028 V CB 1.540 33.261 31.823 -0.169 0.000 0.992 1028 V HN 0.804 nan 8.190 nan 0.000 0.426 1029 L N 5.693 126.935 121.223 0.030 0.000 2.334 1029 L HA 0.745 5.087 4.340 0.003 0.000 0.272 1029 L C -0.559 176.371 176.870 0.099 0.000 1.020 1029 L CA -0.480 54.334 54.840 -0.043 0.000 0.812 1029 L CB 1.545 43.553 42.059 -0.085 0.000 1.264 1029 L HN 0.695 nan 8.230 nan 0.000 0.439 1030 F N -0.833 119.129 119.950 0.020 0.000 2.603 1030 F HA 0.954 5.482 4.527 0.003 0.000 0.317 1030 F C -0.086 175.638 175.800 -0.127 0.000 1.066 1030 F CA -1.061 56.875 58.000 -0.106 0.000 0.941 1030 F CB 1.624 40.491 39.000 -0.222 0.000 1.291 1030 F HN 0.378 nan 8.300 nan 0.000 0.472 1031 G N 0.070 108.916 108.800 0.077 0.000 2.591 1031 G HA2 0.599 4.561 3.960 0.003 0.000 0.306 1031 G HA3 0.599 4.561 3.960 0.003 0.000 0.306 1031 G C -1.430 173.502 174.900 0.055 0.000 1.334 1031 G CA -0.694 44.420 45.100 0.024 0.000 0.981 1031 G HN 1.014 nan 8.290 nan 0.000 0.491 1032 T N -1.560 113.039 114.554 0.074 0.000 2.930 1032 T HA 0.420 4.772 4.350 0.003 0.000 0.290 1032 T C 1.135 175.876 174.700 0.069 0.000 1.052 1032 T CA -0.582 61.574 62.100 0.093 0.000 1.017 1032 T CB 1.600 70.537 68.868 0.115 0.000 1.137 1032 T HN 0.316 nan 8.240 nan 0.000 0.511 1033 V N 1.588 121.566 119.914 0.108 0.000 2.828 1033 V HA -0.102 4.020 4.120 0.003 0.000 0.260 1033 V C 1.863 177.950 176.094 -0.013 0.000 1.101 1033 V CA 1.709 64.027 62.300 0.030 0.000 1.123 1033 V CB -0.958 30.864 31.823 -0.003 0.000 0.704 1033 V HN 0.801 nan 8.190 nan 0.000 0.493 1034 N N -0.836 117.863 118.700 -0.003 0.000 2.250 1034 N HA 0.182 4.924 4.740 0.003 0.000 0.190 1034 N C 1.366 176.866 175.510 -0.017 0.000 1.116 1034 N CA 0.976 54.014 53.050 -0.022 0.000 0.881 1034 N CB 1.314 39.786 38.487 -0.025 0.000 1.006 1034 N HN 0.456 nan 8.380 nan 0.000 0.491 1035 G N 0.244 109.037 108.800 -0.011 0.000 2.163 1035 G HA2 -0.221 3.741 3.960 0.003 0.000 0.213 1035 G HA3 -0.221 3.741 3.960 0.003 0.000 0.213 1035 G C 0.093 174.983 174.900 -0.017 0.000 0.991 1035 G CA -0.127 44.960 45.100 -0.022 0.000 0.653 1035 G HN 0.218 nan 8.290 nan 0.000 0.518 1036 M N 1.332 120.936 119.600 0.006 0.000 2.200 1036 M HA 0.509 4.991 4.480 0.003 0.000 0.355 1036 M C -0.098 176.180 176.300 -0.037 0.000 1.283 1036 M CA 0.156 55.462 55.300 0.010 0.000 1.124 1036 M CB 0.237 32.879 32.600 0.070 0.000 1.625 1036 M HN 0.186 nan 8.290 nan 0.000 0.463 1037 I N 4.655 125.157 120.570 -0.112 0.000 2.355 1037 I HA 0.385 4.557 4.170 0.003 0.000 0.288 1037 I C 0.619 176.477 176.117 -0.433 0.000 0.999 1037 I CA -0.583 60.564 61.300 -0.255 0.000 1.163 1037 I CB 1.501 39.392 38.000 -0.183 0.000 1.316 1037 I HN 0.748 nan 8.210 nan 0.000 0.454 1038 G N 5.912 114.081 108.800 -1.052 0.000 2.671 1038 G HA2 0.743 4.705 3.960 0.003 0.000 0.275 1038 G HA3 0.743 4.705 3.960 0.003 0.000 0.275 1038 G C -1.317 172.917 174.900 -1.110 0.000 1.368 1038 G CA -0.396 43.977 45.100 -1.211 0.000 1.044 1038 G HN 0.407 nan 8.290 nan 0.000 0.543 1039 L N -0.909 119.984 121.223 -0.549 0.000 2.526 1039 L HA 0.662 5.004 4.340 0.003 0.000 0.263 1039 L C -1.274 175.682 176.870 0.143 0.000 0.943 1039 L CA -0.864 53.877 54.840 -0.164 0.000 0.859 1039 L CB 1.880 43.850 42.059 -0.148 0.000 1.313 1039 L HN 0.374 nan 8.230 nan 0.000 0.406 1040 V N 3.716 123.761 119.914 0.217 0.000 2.459 1040 V HA 0.784 4.906 4.120 0.003 0.000 0.295 1040 V C 0.150 176.325 176.094 0.135 0.000 1.029 1040 V CA -0.211 62.220 62.300 0.219 0.000 0.874 1040 V CB 1.756 33.721 31.823 0.237 0.000 0.985 1040 V HN 0.930 nan 8.190 nan 0.000 0.438 1041 T N 2.660 117.312 114.554 0.163 0.000 2.924 1041 T HA 0.491 4.843 4.350 0.003 0.000 0.291 1041 T C 0.049 174.798 174.700 0.082 0.000 1.045 1041 T CA -0.372 61.787 62.100 0.100 0.000 1.015 1041 T CB 1.933 70.851 68.868 0.083 0.000 1.103 1041 T HN 0.641 nan 8.240 nan 0.000 0.496 1042 S N 0.866 116.581 115.700 0.025 0.000 2.681 1042 S HA 0.774 5.246 4.470 0.003 0.000 0.270 1042 S C -0.548 174.070 174.600 0.030 0.000 1.209 1042 S CA -0.663 57.547 58.200 0.016 0.000 0.988 1042 S CB 0.337 63.528 63.200 -0.016 0.000 1.006 1042 S HN 0.412 nan 8.310 nan 0.000 0.558 1043 L N 0.524 121.796 121.223 0.082 0.000 2.409 1043 L HA 0.492 4.834 4.340 0.003 0.000 0.255 1043 L C -0.200 176.721 176.870 0.085 0.000 1.027 1043 L CA -0.851 54.042 54.840 0.089 0.000 0.834 1043 L CB 2.076 44.272 42.059 0.228 0.000 1.426 1043 L HN 0.711 nan 8.230 nan 0.000 0.411 1044 S N -0.442 115.276 115.700 0.029 0.000 2.565 1044 S HA 0.098 4.570 4.470 0.003 0.000 0.276 1044 S C 1.000 175.559 174.600 -0.068 0.000 1.326 1044 S CA -0.294 57.918 58.200 0.020 0.000 1.045 1044 S CB 1.170 64.381 63.200 0.019 0.000 0.918 1044 S HN 0.758 nan 8.310 nan 0.000 0.505 1045 E N 3.505 123.543 120.200 -0.270 0.000 2.114 1045 E HA -0.288 4.064 4.350 0.003 0.000 0.199 1045 E C 1.674 178.109 176.600 -0.275 0.000 1.008 1045 E CA 2.284 58.261 56.400 -0.706 0.000 0.810 1045 E CB -1.325 28.154 29.700 -0.368 0.000 0.739 1045 E HN 0.804 nan 8.360 nan 0.000 0.456 1046 S N -0.087 115.581 115.700 -0.054 0.000 2.355 1046 S HA -0.138 4.334 4.470 0.003 0.000 0.222 1046 S C 1.909 176.534 174.600 0.041 0.000 1.031 1046 S CA 0.910 59.123 58.200 0.021 0.000 0.993 1046 S CB -1.093 62.160 63.200 0.088 0.000 0.859 1046 S HN 0.386 nan 8.310 nan 0.000 0.453 1047 W N 1.322 122.566 121.300 -0.093 0.000 2.338 1047 W HA -0.009 4.654 4.660 0.004 0.000 0.304 1047 W C 2.414 178.897 176.519 -0.061 0.000 1.212 1047 W CA 0.752 58.051 57.345 -0.077 0.000 1.264 1047 W CB -1.132 28.284 29.460 -0.074 0.000 1.142 1047 W HN 0.398 nan 8.180 nan 0.000 0.512 1048 Y N 1.835 122.135 120.300 0.000 0.000 2.014 1048 Y HA -0.407 4.146 4.550 0.004 0.000 0.272 1048 Y C 2.340 178.192 175.900 -0.080 0.000 1.164 1048 Y CA 2.532 60.587 58.100 -0.074 0.000 1.114 1048 Y CB -0.975 37.277 38.460 -0.347 0.000 0.961 1048 Y HN -0.149 nan 8.280 nan 0.000 0.489 1049 N N 0.771 119.482 118.700 0.019 0.000 2.018 1049 N HA -0.279 4.463 4.740 0.003 0.000 0.196 1049 N C 2.131 177.559 175.510 -0.136 0.000 1.043 1049 N CA 1.717 54.744 53.050 -0.038 0.000 0.856 1049 N CB -1.096 37.392 38.487 0.003 0.000 1.042 1049 N HN 0.515 nan 8.380 nan 0.000 0.423 1050 L N 1.118 122.236 121.223 -0.175 0.000 1.991 1050 L HA -0.236 4.106 4.340 0.003 0.000 0.221 1050 L C 2.177 178.911 176.870 -0.226 0.000 1.079 1050 L CA 1.491 56.191 54.840 -0.233 0.000 0.778 1050 L CB -0.398 41.430 42.059 -0.386 0.000 0.893 1050 L HN 0.175 nan 8.230 nan 0.000 0.437 1051 L N -0.801 120.276 121.223 -0.244 0.000 2.083 1051 L HA -0.277 4.066 4.340 0.003 0.000 0.209 1051 L C 2.513 179.266 176.870 -0.196 0.000 1.083 1051 L CA 1.093 55.816 54.840 -0.195 0.000 0.752 1051 L CB -0.431 41.559 42.059 -0.115 0.000 0.899 1051 L HN 0.417 nan 8.230 nan 0.000 0.433 1052 L N -0.231 120.819 121.223 -0.288 0.000 2.056 1052 L HA -0.235 4.107 4.340 0.003 0.000 0.207 1052 L C 2.089 178.889 176.870 -0.117 0.000 1.078 1052 L CA 1.602 56.284 54.840 -0.263 0.000 0.749 1052 L CB -0.090 41.743 42.059 -0.378 0.000 0.901 1052 L HN 0.295 nan 8.230 nan 0.000 0.433 1053 D N -0.203 120.135 120.400 -0.102 0.000 2.077 1053 D HA -0.329 4.313 4.640 0.003 0.000 0.193 1053 D C 2.279 178.549 176.300 -0.051 0.000 0.989 1053 D CA 1.966 55.932 54.000 -0.057 0.000 0.831 1053 D CB -0.100 40.666 40.800 -0.057 0.000 0.979 1053 D HN 0.262 nan 8.370 nan 0.000 0.449 1054 M N 0.018 119.571 119.600 -0.078 0.000 2.192 1054 M HA -0.289 4.193 4.480 0.003 0.000 0.256 1054 M C 1.949 178.236 176.300 -0.021 0.000 1.076 1054 M CA 1.574 56.840 55.300 -0.056 0.000 1.075 1054 M CB -0.025 32.499 32.600 -0.126 0.000 1.368 1054 M HN 0.129 nan 8.290 nan 0.000 0.406 1055 Q N -0.040 119.731 119.800 -0.048 0.000 2.020 1055 Q HA -0.146 4.197 4.340 0.003 0.000 0.198 1055 Q C 1.729 177.703 176.000 -0.043 0.000 0.974 1055 Q CA 2.128 57.897 55.803 -0.056 0.000 0.829 1055 Q CB -0.176 28.523 28.738 -0.066 0.000 0.894 1055 Q HN 0.738 nan 8.270 nan 0.000 0.433 1056 N N -0.073 118.617 118.700 -0.016 0.000 2.084 1056 N HA -0.150 4.592 4.740 0.003 0.000 0.190 1056 N C 1.818 177.339 175.510 0.018 0.000 1.030 1056 N CA 0.819 53.876 53.050 0.012 0.000 0.849 1056 N CB 0.010 38.511 38.487 0.024 0.000 1.012 1056 N HN 0.112 nan 8.380 nan 0.000 0.423 1057 R N 0.977 121.487 120.500 0.018 0.000 2.080 1057 R HA -0.103 4.239 4.340 0.003 0.000 0.236 1057 R C 2.242 178.565 176.300 0.038 0.000 1.137 1057 R CA 0.909 57.028 56.100 0.030 0.000 0.943 1057 R CB -0.926 29.396 30.300 0.038 0.000 0.846 1057 R HN 0.311 nan 8.270 nan 0.000 0.431 1058 L N 1.349 122.600 121.223 0.047 0.000 2.261 1058 L HA -0.200 4.142 4.340 0.003 0.000 0.216 1058 L C 1.975 178.867 176.870 0.035 0.000 1.114 1058 L CA 0.939 55.815 54.840 0.060 0.000 0.777 1058 L CB -0.298 41.810 42.059 0.081 0.000 0.910 1058 L HN 0.266 nan 8.230 nan 0.000 0.440 1059 N N -0.093 118.620 118.700 0.021 0.000 2.124 1059 N HA -0.143 4.599 4.740 0.003 0.000 0.188 1059 N C 1.649 177.195 175.510 0.060 0.000 1.045 1059 N CA 0.927 54.006 53.050 0.047 0.000 0.846 1059 N CB -0.162 38.355 38.487 0.049 0.000 1.020 1059 N HN 0.223 nan 8.380 nan 0.000 0.432 1060 K N 0.891 121.320 120.400 0.049 0.000 2.090 1060 K HA -0.186 4.136 4.320 0.003 0.000 0.218 1060 K C 2.064 178.679 176.600 0.026 0.000 1.055 1060 K CA 1.590 57.900 56.287 0.039 0.000 0.941 1060 K CB -0.659 31.860 32.500 0.031 0.000 0.722 1060 K HN -0.001 nan 8.250 nan 0.000 0.458 1061 V N 1.640 121.565 119.914 0.017 0.000 2.287 1061 V HA -0.197 3.925 4.120 0.003 0.000 0.248 1061 V C 1.516 177.609 176.094 -0.002 0.000 1.053 1061 V CA 1.332 63.631 62.300 -0.001 0.000 1.027 1061 V CB -0.400 31.413 31.823 -0.017 0.000 0.646 1061 V HN 0.238 nan 8.190 nan 0.000 0.447 1062 I N 2.853 123.433 120.570 0.016 0.000 2.436 1062 I HA 0.082 4.254 4.170 0.003 0.000 0.289 1062 I C 0.600 176.729 176.117 0.020 0.000 1.083 1062 I CA -0.174 61.137 61.300 0.019 0.000 1.372 1062 I CB 0.444 38.476 38.000 0.053 0.000 1.408 1062 I HN 0.253 nan 8.210 nan 0.000 0.516 1063 K N 6.273 126.664 120.400 -0.015 0.000 2.363 1063 K HA 0.176 4.498 4.320 0.003 0.000 0.289 1063 K C 0.018 176.572 176.600 -0.076 0.000 1.063 1063 K CA -0.253 56.011 56.287 -0.037 0.000 0.967 1063 K CB 0.500 32.970 32.500 -0.050 0.000 0.987 1063 K HN 0.610 nan 8.250 nan 0.000 0.473 1064 S N 1.869 117.516 115.700 -0.088 0.000 2.624 1064 S HA 0.269 4.741 4.470 0.003 0.000 0.263 1064 S C 0.206 174.673 174.600 -0.221 0.000 1.287 1064 S CA -0.913 57.147 58.200 -0.232 0.000 0.990 1064 S CB 0.983 64.063 63.200 -0.201 0.000 0.950 1064 S HN 0.388 nan 8.310 nan 0.000 0.561 1065 V N 1.558 121.301 119.914 -0.285 0.000 2.407 1065 V HA 0.641 4.763 4.120 0.003 0.000 0.278 1065 V C 1.305 177.286 176.094 -0.188 0.000 1.037 1065 V CA 0.344 62.523 62.300 -0.202 0.000 0.900 1065 V CB -0.097 31.608 31.823 -0.195 0.000 0.983 1065 V HN 1.492 nan 8.190 nan 0.000 0.459 1066 G N 3.711 112.421 108.800 -0.150 0.000 2.157 1066 G HA2 -0.235 3.727 3.960 0.003 0.000 0.239 1066 G HA3 -0.235 3.727 3.960 0.003 0.000 0.239 1066 G C 0.427 175.205 174.900 -0.202 0.000 0.982 1066 G CA -0.037 44.989 45.100 -0.124 0.000 0.650 1066 G HN 0.721 nan 8.290 nan 0.000 0.527 1067 K N -1.057 119.189 120.400 -0.257 0.000 3.012 1067 K HA -0.213 4.109 4.320 0.003 0.000 0.259 1067 K C 0.722 177.221 176.600 -0.168 0.000 0.989 1067 K CA 1.476 57.569 56.287 -0.323 0.000 0.728 1067 K CB -2.043 29.977 32.500 -0.801 0.000 1.260 1067 K HN 0.739 nan 8.250 nan 0.000 0.480 1068 I N 1.230 121.769 120.570 -0.051 0.000 2.496 1068 I HA -0.007 4.165 4.170 0.003 0.000 0.285 1068 I C 1.072 177.354 176.117 0.275 0.000 1.080 1068 I CA -0.332 61.032 61.300 0.107 0.000 1.404 1068 I CB 0.553 38.635 38.000 0.136 0.000 1.403 1068 I HN 0.047 nan 8.210 nan 0.000 0.539 1069 E N 5.084 125.442 120.200 0.263 0.000 2.166 1069 E HA -0.051 4.301 4.350 0.003 0.000 0.279 1069 E C 1.005 177.819 176.600 0.357 0.000 1.095 1069 E CA 0.172 56.750 56.400 0.296 0.000 0.888 1069 E CB 0.396 30.224 29.700 0.215 0.000 1.041 1069 E HN 0.492 nan 8.360 nan 0.000 0.414 1070 H N 3.074 122.268 119.070 0.207 0.000 2.362 1070 H HA -0.247 4.311 4.556 0.003 0.000 0.294 1070 H C 1.580 176.890 175.328 -0.031 0.000 1.113 1070 H CA 2.754 58.692 56.048 -0.183 0.000 1.253 1070 H CB 0.236 29.890 29.762 -0.179 0.000 1.363 1070 H HN 0.559 nan 8.280 nan 0.000 0.494 1071 S N -0.997 114.788 115.700 0.141 0.000 2.461 1071 S HA -0.129 4.343 4.470 0.003 0.000 0.228 1071 S C 2.044 176.695 174.600 0.083 0.000 1.005 1071 S CA 0.642 58.897 58.200 0.091 0.000 0.942 1071 S CB -0.654 62.652 63.200 0.177 0.000 0.776 1071 S HN 0.476 nan 8.310 nan 0.000 0.514 1072 F N 2.212 122.178 119.950 0.027 0.000 2.146 1072 F HA 0.050 4.579 4.527 0.004 0.000 0.298 1072 F C 2.173 177.977 175.800 0.007 0.000 1.096 1072 F CA 1.109 59.131 58.000 0.037 0.000 1.275 1072 F CB -0.528 38.522 39.000 0.083 0.000 1.008 1072 F HN 0.370 nan 8.300 nan 0.000 0.480 1073 W N 1.670 122.846 121.300 -0.207 0.000 2.315 1073 W HA -0.257 4.405 4.660 0.004 0.000 0.323 1073 W C 1.611 177.834 176.519 -0.493 0.000 1.233 1073 W CA 1.077 58.199 57.345 -0.372 0.000 1.267 1073 W CB -0.359 28.916 29.460 -0.309 0.000 1.160 1073 W HN -0.188 nan 8.180 nan 0.000 0.474 1074 R N 1.271 121.341 120.500 -0.717 0.000 2.346 1074 R HA 0.063 4.405 4.340 0.003 0.000 0.199 1074 R C 0.180 176.119 176.300 -0.602 0.000 1.015 1074 R CA 0.231 55.762 56.100 -0.948 0.000 1.058 1074 R CB -0.850 28.993 30.300 -0.762 0.000 0.921 1074 R HN -0.094 nan 8.270 nan 0.000 0.475 1075 S N 0.657 116.085 115.700 -0.453 0.000 2.499 1075 S HA 0.218 4.690 4.470 0.003 0.000 0.279 1075 S C -0.351 174.151 174.600 -0.163 0.000 1.219 1075 S CA -0.677 57.392 58.200 -0.219 0.000 1.062 1075 S CB 0.615 63.732 63.200 -0.138 0.000 0.978 1075 S HN 0.226 nan 8.310 nan 0.000 0.489 1076 F N 3.954 123.833 119.950 -0.119 0.000 2.635 1076 F HA 0.057 4.586 4.527 0.003 0.000 0.379 1076 F C 0.433 176.233 175.800 0.000 0.000 1.094 1076 F CA 1.118 59.099 58.000 -0.031 0.000 1.300 1076 F CB 0.252 39.255 39.000 0.004 0.000 1.035 1076 F HN 0.726 nan 8.300 nan 0.000 0.581 1077 H N 2.886 121.748 119.070 -0.347 0.000 3.184 1077 H HA 0.336 4.894 4.556 0.003 0.000 0.317 1077 H C -1.436 173.754 175.328 -0.230 0.000 1.065 1077 H CA -0.355 55.581 56.048 -0.186 0.000 1.462 1077 H CB 0.778 30.365 29.762 -0.292 0.000 2.037 1077 H HN 0.637 nan 8.280 nan 0.000 0.431 1078 T N 2.107 116.470 114.554 -0.320 0.000 2.876 1078 T HA 0.230 4.582 4.350 0.003 0.000 0.289 1078 T C 0.906 175.389 174.700 -0.361 0.000 1.014 1078 T CA -0.940 61.043 62.100 -0.196 0.000 0.986 1078 T CB 2.163 70.993 68.868 -0.064 0.000 1.021 1078 T HN 0.567 nan 8.240 nan 0.000 0.458 1079 E N 2.187 122.277 120.200 -0.184 0.000 2.144 1079 E HA -0.293 4.059 4.350 0.003 0.000 0.243 1079 E C 1.804 178.293 176.600 -0.184 0.000 1.043 1079 E CA 2.140 58.464 56.400 -0.128 0.000 0.952 1079 E CB -0.395 29.303 29.700 -0.003 0.000 0.849 1079 E HN 0.901 nan 8.360 nan 0.000 0.522 1080 R N 1.513 121.959 120.500 -0.089 0.000 2.460 1080 R HA -0.128 4.214 4.340 0.003 0.000 0.214 1080 R C 0.118 176.379 176.300 -0.066 0.000 1.255 1080 R CA 1.221 57.281 56.100 -0.067 0.000 1.229 1080 R CB -0.394 29.886 30.300 -0.033 0.000 0.803 1080 R HN 0.044 nan 8.270 nan 0.000 0.491 1081 K N -0.351 119.973 120.400 -0.125 0.000 2.636 1081 K HA 0.121 4.443 4.320 0.003 0.000 0.268 1081 K C -1.923 174.630 176.600 -0.078 0.000 0.958 1081 K CA -0.614 55.639 56.287 -0.057 0.000 0.875 1081 K CB 1.721 34.230 32.500 0.015 0.000 1.382 1081 K HN 0.021 nan 8.250 nan 0.000 0.405 1082 T N 3.192 117.745 114.554 -0.002 0.000 3.187 1082 T HA 0.244 4.596 4.350 0.003 0.000 0.328 1082 T C -1.335 173.414 174.700 0.082 0.000 0.951 1082 T CA -0.846 61.290 62.100 0.060 0.000 1.049 1082 T CB 0.963 69.871 68.868 0.067 0.000 1.015 1082 T HN 0.441 nan 8.240 nan 0.000 0.461 1083 E N 2.943 123.209 120.200 0.109 0.000 2.250 1083 E HA 0.560 4.912 4.350 0.003 0.000 0.265 1083 E C -2.475 174.187 176.600 0.104 0.000 1.033 1083 E CA -2.758 53.684 56.400 0.070 0.000 0.888 1083 E CB 0.765 30.458 29.700 -0.012 0.000 1.151 1083 E HN 0.260 nan 8.360 nan 0.000 0.412 1084 P HA 0.257 nan 4.420 nan 0.000 0.281 1084 P C -1.034 176.347 177.300 0.134 0.000 1.281 1084 P CA -0.631 62.528 63.100 0.098 0.000 0.811 1084 P CB 0.475 32.236 31.700 0.102 0.000 1.154 1085 A N 0.427 123.338 122.820 0.152 0.000 2.450 1085 A HA 0.532 4.854 4.320 0.003 0.000 0.255 1085 A C 0.406 178.163 177.584 0.288 0.000 1.096 1085 A CA 0.327 52.521 52.037 0.261 0.000 0.778 1085 A CB -0.911 18.275 19.000 0.309 0.000 1.031 1085 A HN 0.618 nan 8.150 nan 0.000 0.494 1086 T N -0.764 113.977 114.554 0.312 0.000 2.907 1086 T HA 0.631 4.983 4.350 0.003 0.000 0.292 1086 T C 0.820 175.715 174.700 0.326 0.000 1.043 1086 T CA 0.257 62.531 62.100 0.290 0.000 1.003 1086 T CB 1.460 70.430 68.868 0.169 0.000 1.084 1086 T HN 2.384 nan 8.240 nan 0.000 0.483 1087 G N 0.548 109.530 108.800 0.302 0.000 2.184 1087 G HA2 -0.200 3.762 3.960 0.003 0.000 0.264 1087 G HA3 -0.200 3.762 3.960 0.003 0.000 0.264 1087 G C -0.172 174.675 174.900 -0.088 0.000 0.975 1087 G CA 0.287 45.415 45.100 0.047 0.000 0.642 1087 G HN 0.767 nan 8.290 nan 0.000 0.536 1088 F N -0.488 119.622 119.950 0.267 0.000 2.593 1088 F HA 0.806 5.336 4.527 0.004 0.000 0.320 1088 F C 0.416 176.206 175.800 -0.017 0.000 1.060 1088 F CA -1.128 56.868 58.000 -0.007 0.000 0.940 1088 F CB 1.878 40.665 39.000 -0.355 0.000 1.268 1088 F HN -0.060 nan 8.300 nan 0.000 0.475 1089 I N 2.045 122.615 120.570 -0.001 0.000 2.548 1089 I HA 0.178 4.351 4.170 0.003 0.000 0.287 1089 I C -1.593 174.391 176.117 -0.221 0.000 1.103 1089 I CA -0.930 60.345 61.300 -0.042 0.000 1.049 1089 I CB 1.989 39.995 38.000 0.010 0.000 1.232 1089 I HN 0.464 nan 8.210 nan 0.000 0.429 1090 D N 5.350 125.751 120.400 0.002 0.000 2.365 1090 D HA 0.144 4.786 4.640 0.003 0.000 0.237 1090 D C 1.281 177.493 176.300 -0.147 0.000 1.190 1090 D CA -0.592 53.373 54.000 -0.058 0.000 0.867 1090 D CB 1.481 42.404 40.800 0.205 0.000 1.050 1090 D HN 0.691 nan 8.370 nan 0.000 0.491 1091 G N 2.559 111.048 108.800 -0.519 0.000 2.485 1091 G HA2 -0.342 3.620 3.960 0.003 0.000 0.221 1091 G HA3 -0.342 3.620 3.960 0.003 0.000 0.221 1091 G C 1.129 176.053 174.900 0.039 0.000 1.115 1091 G CA 0.399 45.381 45.100 -0.196 0.000 0.751 1091 G HN 0.400 nan 8.290 nan 0.000 0.567 1092 D N -0.413 120.005 120.400 0.030 0.000 2.158 1092 D HA -0.107 4.535 4.640 0.003 0.000 0.197 1092 D C 2.229 178.628 176.300 0.165 0.000 0.995 1092 D CA 0.419 54.495 54.000 0.127 0.000 0.846 1092 D CB -0.050 40.855 40.800 0.174 0.000 0.941 1092 D HN 0.272 nan 8.370 nan 0.000 0.456 1093 L N 0.054 121.373 121.223 0.161 0.000 2.168 1093 L HA -0.033 4.309 4.340 0.003 0.000 0.203 1093 L C 1.900 178.840 176.870 0.116 0.000 1.078 1093 L CA 0.627 55.559 54.840 0.153 0.000 0.780 1093 L CB -0.303 41.809 42.059 0.088 0.000 0.939 1093 L HN -0.030 nan 8.230 nan 0.000 0.451 1094 I N 0.983 121.611 120.570 0.096 0.000 2.091 1094 I HA -0.341 3.831 4.170 0.003 0.000 0.239 1094 I C 2.383 178.594 176.117 0.156 0.000 1.061 1094 I CA 1.610 62.975 61.300 0.109 0.000 1.317 1094 I CB -1.257 36.823 38.000 0.135 0.000 1.031 1094 I HN 0.359 nan 8.210 nan 0.000 0.401 1095 E N 0.768 121.069 120.200 0.169 0.000 2.284 1095 E HA -0.200 4.152 4.350 0.003 0.000 0.200 1095 E C 2.210 178.915 176.600 0.175 0.000 1.008 1095 E CA 1.454 57.959 56.400 0.175 0.000 0.829 1095 E CB -0.093 29.712 29.700 0.175 0.000 0.744 1095 E HN 0.454 nan 8.360 nan 0.000 0.491 1096 S N 0.776 116.578 115.700 0.170 0.000 2.374 1096 S HA -0.220 4.252 4.470 0.003 0.000 0.227 1096 S C 1.515 176.210 174.600 0.159 0.000 1.037 1096 S CA 1.069 59.355 58.200 0.144 0.000 1.024 1096 S CB -0.485 62.797 63.200 0.137 0.000 0.861 1096 S HN 0.323 nan 8.310 nan 0.000 0.456 1097 F N 2.319 122.285 119.950 0.027 0.000 2.060 1097 F HA -0.329 4.200 4.527 0.004 0.000 0.293 1097 F C 1.861 177.663 175.800 0.003 0.000 1.096 1097 F CA 1.866 59.872 58.000 0.010 0.000 1.241 1097 F CB -0.594 38.412 39.000 0.009 0.000 0.959 1097 F HN 0.121 nan 8.300 nan 0.000 0.499 1098 L N -0.503 120.882 121.223 0.270 0.000 2.189 1098 L HA -0.254 4.088 4.340 0.003 0.000 0.214 1098 L C 1.194 178.071 176.870 0.011 0.000 1.097 1098 L CA 1.463 56.384 54.840 0.134 0.000 0.764 1098 L CB -0.738 41.398 42.059 0.128 0.000 0.900 1098 L HN 0.212 nan 8.230 nan 0.000 0.436 1099 D N -0.107 120.295 120.400 0.003 0.000 2.336 1099 D HA 0.252 4.894 4.640 0.003 0.000 0.228 1099 D C 0.394 176.653 176.300 -0.069 0.000 1.120 1099 D CA 0.323 54.306 54.000 -0.027 0.000 0.839 1099 D CB 0.584 41.380 40.800 -0.006 0.000 0.932 1099 D HN 0.278 nan 8.370 nan 0.000 0.509 1100 I N 1.242 121.735 120.570 -0.128 0.000 2.412 1100 I HA 0.021 4.193 4.170 0.003 0.000 0.296 1100 I C 0.656 176.663 176.117 -0.183 0.000 0.987 1100 I CA -0.583 60.611 61.300 -0.175 0.000 1.180 1100 I CB 1.582 39.421 38.000 -0.268 0.000 1.340 1100 I HN -0.138 nan 8.210 nan 0.000 0.455 1101 S N 5.571 121.188 115.700 -0.138 0.000 2.563 1101 S HA 0.049 4.521 4.470 0.003 0.000 0.284 1101 S C 1.198 175.715 174.600 -0.138 0.000 1.331 1101 S CA -0.341 57.788 58.200 -0.118 0.000 1.047 1101 S CB 0.888 64.036 63.200 -0.085 0.000 0.859 1101 S HN 0.774 nan 8.310 nan 0.000 0.514 1102 R N 2.365 122.798 120.500 -0.111 0.000 2.117 1102 R HA -0.074 4.268 4.340 0.003 0.000 0.243 1102 R C -0.768 175.480 176.300 -0.085 0.000 1.143 1102 R CA 1.780 57.821 56.100 -0.099 0.000 0.968 1102 R CB -1.413 28.854 30.300 -0.056 0.000 0.863 1102 R HN 0.662 nan 8.270 nan 0.000 0.444 1103 P HA -0.212 nan 4.420 nan 0.000 0.211 1103 P C 0.356 177.614 177.300 -0.069 0.000 1.179 1103 P CA 1.428 64.495 63.100 -0.054 0.000 0.910 1103 P CB -0.187 31.487 31.700 -0.042 0.000 0.785 1104 K N -0.862 119.487 120.400 -0.085 0.000 2.362 1104 K HA -0.125 4.197 4.320 0.003 0.000 0.202 1104 K C 2.144 178.656 176.600 -0.147 0.000 1.045 1104 K CA 1.012 57.240 56.287 -0.098 0.000 0.936 1104 K CB -0.579 31.860 32.500 -0.102 0.000 0.747 1104 K HN 0.309 nan 8.250 nan 0.000 0.467 1105 M N -0.069 119.415 119.600 -0.193 0.000 2.412 1105 M HA -0.118 4.364 4.480 0.003 0.000 0.263 1105 M C 1.882 178.103 176.300 -0.131 0.000 1.122 1105 M CA 0.879 55.994 55.300 -0.309 0.000 1.179 1105 M CB 0.149 32.523 32.600 -0.377 0.000 1.335 1105 M HN -0.065 nan 8.290 nan 0.000 0.465 1106 Q N 1.154 120.911 119.800 -0.072 0.000 1.967 1106 Q HA -0.273 4.069 4.340 0.003 0.000 0.210 1106 Q C 1.647 177.644 176.000 -0.005 0.000 1.005 1106 Q CA 2.397 58.189 55.803 -0.017 0.000 0.862 1106 Q CB -0.987 27.741 28.738 -0.017 0.000 0.939 1106 Q HN 0.612 nan 8.270 nan 0.000 0.417 1107 E N -0.208 119.981 120.200 -0.018 0.000 2.276 1107 E HA -0.249 4.103 4.350 0.003 0.000 0.226 1107 E C 1.875 178.480 176.600 0.009 0.000 1.090 1107 E CA 1.971 58.366 56.400 -0.009 0.000 0.930 1107 E CB -0.453 29.235 29.700 -0.021 0.000 0.791 1107 E HN 0.168 nan 8.360 nan 0.000 0.467 1108 V N 0.967 120.891 119.914 0.018 0.000 2.982 1108 V HA -0.142 3.980 4.120 0.003 0.000 0.265 1108 V C 1.001 177.138 176.094 0.072 0.000 1.122 1108 V CA 0.908 63.248 62.300 0.067 0.000 1.143 1108 V CB -0.633 31.278 31.823 0.148 0.000 0.726 1108 V HN 0.016 nan 8.190 nan 0.000 0.507 1109 V N -1.999 117.946 119.914 0.053 0.000 3.019 1109 V HA 0.912 5.034 4.120 0.003 0.000 0.317 1109 V C 0.413 176.519 176.094 0.019 0.000 1.094 1109 V CA 0.166 62.487 62.300 0.035 0.000 1.000 1109 V CB 1.459 33.305 31.823 0.038 0.000 1.060 1109 V HN 0.101 nan 8.190 nan 0.000 0.443 1110 A N 1.530 124.357 122.820 0.012 0.000 2.380 1110 A HA 0.298 4.620 4.320 0.003 0.000 0.178 1110 A C 0.059 177.645 177.584 0.004 0.000 2.395 1110 A CA 0.563 52.605 52.037 0.008 0.000 1.371 1110 A CB -0.235 18.770 19.000 0.009 0.000 1.141 1110 A HN 1.164 nan 8.150 nan 0.000 0.399 1123 E N 1.688 121.875 120.200 -0.022 0.000 2.450 1123 E HA 0.831 5.183 4.350 0.003 0.000 0.272 1123 E C -1.680 174.902 176.600 -0.029 0.000 0.967 1123 E CA -1.146 55.242 56.400 -0.021 0.000 0.818 1123 E CB 2.600 32.290 29.700 -0.016 0.000 1.401 1123 E HN 0.763 nan 8.360 nan 0.000 0.450 1124 A N 1.254 124.061 122.820 -0.022 0.000 2.497 1124 A HA 0.548 4.870 4.320 0.003 0.000 0.280 1124 A C -0.790 176.787 177.584 -0.012 0.000 1.065 1124 A CA -0.491 51.532 52.037 -0.023 0.000 0.781 1124 A CB 1.425 20.415 19.000 -0.016 0.000 1.289 1124 A HN 0.442 nan 8.150 nan 0.000 0.415 1125 T N 0.453 114.999 114.554 -0.013 0.000 2.735 1125 T HA 0.776 5.128 4.350 0.003 0.000 0.262 1125 T C 1.276 175.988 174.700 0.020 0.000 0.955 1125 T CA 0.300 62.401 62.100 0.002 0.000 1.022 1125 T CB 1.588 70.456 68.868 -0.001 0.000 1.455 1125 T HN 1.236 nan 8.240 nan 0.000 0.583 1126 A N -0.038 122.802 122.820 0.034 0.000 2.048 1126 A HA 0.292 4.614 4.320 0.003 0.000 0.197 1126 A C 0.536 178.172 177.584 0.086 0.000 1.486 1126 A CA 0.144 52.216 52.037 0.057 0.000 1.029 1126 A CB 0.192 19.216 19.000 0.039 0.000 1.101 1126 A HN 0.700 nan 8.150 nan 0.000 0.470 1127 D N -0.857 119.580 120.400 0.062 0.000 2.540 1127 D HA 0.128 4.770 4.640 0.003 0.000 0.229 1127 D C 0.211 176.535 176.300 0.040 0.000 1.250 1127 D CA -0.024 54.018 54.000 0.070 0.000 0.817 1127 D CB -0.053 40.780 40.800 0.055 0.000 1.060 1127 D HN 0.080 nan 8.370 nan 0.000 0.508 1128 D N 0.702 121.110 120.400 0.014 0.000 2.084 1128 D HA -0.058 4.584 4.640 0.003 0.000 0.196 1128 D C 2.052 178.318 176.300 -0.057 0.000 0.985 1128 D CA 0.615 54.604 54.000 -0.019 0.000 0.826 1128 D CB 0.171 40.948 40.800 -0.038 0.000 0.978 1128 D HN 0.070 nan 8.370 nan 0.000 0.456 1129 L N 0.856 122.025 121.223 -0.090 0.000 2.046 1129 L HA -0.066 4.276 4.340 0.003 0.000 0.208 1129 L C 2.457 179.154 176.870 -0.288 0.000 1.077 1129 L CA 0.823 55.512 54.840 -0.252 0.000 0.747 1129 L CB -0.943 40.914 42.059 -0.337 0.000 0.896 1129 L HN 0.146 nan 8.230 nan 0.000 0.432 1130 I N -0.040 120.513 120.570 -0.029 0.000 3.055 1130 I HA -0.291 3.881 4.170 0.003 0.000 0.277 1130 I C 2.138 178.285 176.117 0.049 0.000 1.306 1130 I CA 1.160 62.562 61.300 0.169 0.000 1.426 1130 I CB -0.076 38.122 38.000 0.330 0.000 1.081 1130 I HN 0.287 nan 8.210 nan 0.000 0.502 1131 K N -0.848 119.543 120.400 -0.015 0.000 2.502 1131 K HA 0.071 4.393 4.320 0.003 0.000 0.211 1131 K C 1.489 178.079 176.600 -0.016 0.000 1.259 1131 K CA 0.247 56.532 56.287 -0.002 0.000 0.983 1131 K CB 0.647 33.152 32.500 0.009 0.000 1.054 1131 K HN 0.177 nan 8.250 nan 0.000 0.572 1132 V N 1.143 121.012 119.914 -0.076 0.000 2.453 1132 V HA -0.156 3.966 4.120 0.003 0.000 0.247 1132 V C 2.244 178.305 176.094 -0.056 0.000 1.048 1132 V CA 1.233 63.483 62.300 -0.082 0.000 1.049 1132 V CB -0.019 31.648 31.823 -0.259 0.000 0.672 1132 V HN 0.039 nan 8.190 nan 0.000 0.457 1133 V N 0.101 119.945 119.914 -0.118 0.000 2.295 1133 V HA -0.267 3.855 4.120 0.003 0.000 0.246 1133 V C 2.455 178.568 176.094 0.032 0.000 1.049 1133 V CA 2.099 64.366 62.300 -0.056 0.000 1.024 1133 V CB -0.620 31.142 31.823 -0.102 0.000 0.648 1133 V HN 0.607 nan 8.190 nan 0.000 0.447 1134 E N -0.123 120.097 120.200 0.033 0.000 2.048 1134 E HA -0.311 4.041 4.350 0.003 0.000 0.202 1134 E C 2.215 178.843 176.600 0.047 0.000 1.021 1134 E CA 1.632 58.061 56.400 0.047 0.000 0.825 1134 E CB -0.278 29.445 29.700 0.040 0.000 0.756 1134 E HN 0.570 nan 8.360 nan 0.000 0.454 1135 E N 0.222 120.451 120.200 0.049 0.000 2.501 1135 E HA -0.170 4.182 4.350 0.003 0.000 0.203 1135 E C 1.693 178.324 176.600 0.051 0.000 1.072 1135 E CA 0.363 56.794 56.400 0.051 0.000 0.885 1135 E CB 0.113 29.859 29.700 0.076 0.000 0.813 1135 E HN 0.257 nan 8.360 nan 0.000 0.556 1136 L N -0.871 120.391 121.223 0.066 0.000 2.349 1136 L HA -0.055 4.287 4.340 0.003 0.000 0.200 1136 L C 2.622 179.556 176.870 0.107 0.000 1.064 1136 L CA 1.058 55.931 54.840 0.055 0.000 0.821 1136 L CB -0.445 41.645 42.059 0.051 0.000 1.027 1136 L HN 0.114 nan 8.230 nan 0.000 0.476 1137 T N -1.417 113.210 114.554 0.123 0.000 2.792 1137 T HA -0.289 4.063 4.350 0.003 0.000 0.268 1137 T C 1.653 176.371 174.700 0.030 0.000 1.059 1137 T CA 1.339 63.514 62.100 0.126 0.000 1.136 1137 T CB -0.523 68.383 68.868 0.062 0.000 0.846 1137 T HN 0.312 nan 8.240 nan 0.000 0.489 1138 R N 0.240 120.753 120.500 0.022 0.000 2.335 1138 R HA 0.419 4.761 4.340 0.003 0.000 0.223 1138 R C 1.855 178.171 176.300 0.027 0.000 0.940 1138 R CA -0.023 56.066 56.100 -0.018 0.000 1.086 1138 R CB -0.318 29.969 30.300 -0.022 0.000 1.073 1138 R HN 0.440 nan 8.270 nan 0.000 0.504 1139 I N 1.136 121.771 120.570 0.108 0.000 2.614 1139 I HA -0.170 4.002 4.170 0.003 0.000 0.258 1139 I C 1.010 177.254 176.117 0.212 0.000 1.189 1139 I CA 0.974 62.351 61.300 0.129 0.000 1.462 1139 I CB -0.122 37.951 38.000 0.121 0.000 1.092 1139 I HN 0.302 nan 8.210 nan 0.000 0.442 1140 H N 0.000 119.083 119.070 0.021 0.000 2.539 1140 H HA 0.000 4.558 4.556 0.003 0.000 0.296 1140 H CA 0.000 56.054 56.048 0.010 0.000 1.023 1140 H CB 0.000 29.767 29.762 0.009 0.000 1.292 1140 H HN 0.000 nan 8.280 nan 0.000 0.496