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 3ei3_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSYNYVVTAQ KPTAVNGCVT GHFTSAEDLN LLIAKNTRLE IYVVTAEGLR DATA SEQUENCE PVKEVGMYGK IAVMELFRPK GESKDLLFIL TAKYNACILE YKQXGESIDI 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 FMLLLEKEEX XXXXVTLKDL DATA SEQUENCE RVELLGETSI AECLTYLDNG VVFVGSRLGD SQLVKLNVDS NEQGSYVVAM DATA SEQUENCE ETFTNLGPIV DMCVVDLERQ GQGQLVTCSG AFKEGSLRII RNGIGIHEHA DATA SEQUENCE SIDLPGIKGL WPLRSDPNRE TDDTLVLSFV 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 FXXXXXXXXX XFGEEVEVHN LLIIDQHTFE DATA SEQUENCE VLHAHQFLQN EYALSLVSCK LGKDPNTYFI VGTAMVYPEE AEPKQGRIVV DATA SEQUENCE FQYSDGKLQT VAEKEVKGAV YSMVEFNGKL LASINSTVRL YEWTTEKELR 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 NLXXXXXXXX XXXXTADDLI 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 0.000 175.886 176.300 -0.689 0.000 1.140 1 M CA 0.000 55.035 55.300 -0.442 0.000 0.988 1 M CB 0.000 32.358 32.600 -0.403 0.000 1.302 2 S N 0.422 115.652 115.700 -0.784 0.000 2.422 2 S HA 0.749 5.218 4.470 -0.002 0.000 0.298 2 S C -1.791 172.221 174.600 -0.980 0.000 1.118 2 S CA -0.413 57.369 58.200 -0.697 0.000 1.083 2 S CB -0.136 62.788 63.200 -0.460 0.000 0.971 2 S HN 0.433 nan 8.310 nan 0.000 0.478 3 Y N 2.241 122.351 120.300 -0.316 0.000 2.338 3 Y HA 0.542 5.091 4.550 -0.002 0.000 0.333 3 Y C 0.268 176.032 175.900 -0.227 0.000 0.968 3 Y CA -1.125 56.772 58.100 -0.338 0.000 1.123 3 Y CB 1.610 39.905 38.460 -0.275 0.000 1.165 3 Y HN 0.659 nan 8.280 nan 0.000 0.452 4 N N 1.574 120.167 118.700 -0.179 0.000 2.312 4 N HA 0.360 5.098 4.740 -0.002 0.000 0.296 4 N C -1.951 173.543 175.510 -0.028 0.000 1.193 4 N CA -0.816 52.069 53.050 -0.275 0.000 0.773 4 N CB 2.984 40.984 38.487 -0.812 0.000 1.435 4 N HN 0.670 nan 8.380 nan 0.000 0.484 5 Y N 0.451 120.698 120.300 -0.089 0.000 2.373 5 Y HA 0.459 5.007 4.550 -0.003 0.000 0.336 5 Y C -1.378 174.538 175.900 0.027 0.000 0.979 5 Y CA -0.598 57.498 58.100 -0.007 0.000 1.080 5 Y CB 1.147 39.605 38.460 -0.003 0.000 1.190 5 Y HN 0.163 nan 8.280 nan 0.000 0.446 6 V N 7.098 126.862 119.914 -0.249 0.000 2.444 6 V HA 0.684 4.803 4.120 -0.002 0.000 0.294 6 V C -0.810 175.153 176.094 -0.218 0.000 1.022 6 V CA -0.833 61.401 62.300 -0.109 0.000 0.850 6 V CB 1.129 32.878 31.823 -0.124 0.000 0.992 6 V HN 0.640 nan 8.190 nan 0.000 0.426 7 V N 1.046 120.915 119.914 -0.075 0.000 2.914 7 V HA 0.778 4.897 4.120 -0.002 0.000 0.314 7 V C 0.214 176.230 176.094 -0.131 0.000 1.084 7 V CA -0.711 61.525 62.300 -0.106 0.000 0.963 7 V CB 1.892 33.665 31.823 -0.083 0.000 1.025 7 V HN 0.893 nan 8.190 nan 0.000 0.432 8 T N 0.600 115.071 114.554 -0.139 0.000 2.832 8 T HA 0.636 4.984 4.350 -0.002 0.000 0.296 8 T C 0.899 175.387 174.700 -0.353 0.000 0.968 8 T CA 0.329 62.322 62.100 -0.178 0.000 1.107 8 T CB 1.439 70.276 68.868 -0.051 0.000 0.916 8 T HN 1.335 nan 8.240 nan 0.000 0.517 9 A N 2.950 125.581 122.820 -0.314 0.000 1.956 9 A HA 0.316 4.635 4.320 -0.002 0.000 0.212 9 A C 1.130 178.664 177.584 -0.083 0.000 1.188 9 A CA 0.355 52.253 52.037 -0.230 0.000 0.675 9 A CB -0.141 18.777 19.000 -0.136 0.000 0.845 9 A HN 0.762 nan 8.150 nan 0.000 0.455 10 Q N 0.398 120.142 119.800 -0.094 0.000 2.274 10 Q HA 0.458 4.796 4.340 -0.002 0.000 0.268 10 Q C -1.139 174.839 176.000 -0.037 0.000 1.015 10 Q CA -0.382 55.395 55.803 -0.044 0.000 0.775 10 Q CB 1.036 29.751 28.738 -0.039 0.000 1.256 10 Q HN 0.297 nan 8.270 nan 0.000 0.442 11 K N 4.091 124.487 120.400 -0.008 0.000 2.397 11 K HA 0.187 4.506 4.320 -0.002 0.000 0.265 11 K C -2.215 174.392 176.600 0.011 0.000 0.982 11 K CA -1.296 54.997 56.287 0.010 0.000 0.931 11 K CB 0.039 32.551 32.500 0.020 0.000 0.943 11 K HN 0.505 nan 8.250 nan 0.000 0.501 12 P HA -0.070 nan 4.420 nan 0.000 0.261 12 P C 0.157 177.468 177.300 0.019 0.000 1.183 12 P CA 0.357 63.469 63.100 0.020 0.000 0.761 12 P CB 0.581 32.293 31.700 0.021 0.000 0.785 13 T N -0.277 114.289 114.554 0.020 0.000 3.014 13 T HA 0.305 4.653 4.350 -0.002 0.000 0.250 13 T C 0.865 175.588 174.700 0.038 0.000 1.060 13 T CA -0.058 62.060 62.100 0.031 0.000 1.040 13 T CB -0.030 68.854 68.868 0.026 0.000 0.971 13 T HN 0.388 nan 8.240 nan 0.000 0.497 14 A N 1.536 124.372 122.820 0.026 0.000 2.407 14 A HA 0.584 4.902 4.320 -0.002 0.000 0.248 14 A C 0.021 177.627 177.584 0.036 0.000 1.082 14 A CA -0.420 51.633 52.037 0.027 0.000 0.785 14 A CB 0.294 19.302 19.000 0.013 0.000 1.020 14 A HN 0.325 nan 8.150 nan 0.000 0.489 15 V N 3.323 123.268 119.914 0.051 0.000 2.350 15 V HA 0.126 4.244 4.120 -0.002 0.000 0.276 15 V C 0.573 176.696 176.094 0.049 0.000 1.028 15 V CA -0.146 62.198 62.300 0.073 0.000 0.860 15 V CB 0.756 32.672 31.823 0.155 0.000 0.990 15 V HN 1.043 nan 8.190 nan 0.000 0.453 16 N N 2.931 121.648 118.700 0.028 0.000 2.405 16 N HA 0.327 5.066 4.740 -0.002 0.000 0.175 16 N C 0.603 176.122 175.510 0.015 0.000 1.051 16 N CA 0.623 53.678 53.050 0.009 0.000 0.899 16 N CB 0.537 39.013 38.487 -0.019 0.000 1.000 16 N HN 0.790 nan 8.380 nan 0.000 0.451 17 G N -0.464 108.353 108.800 0.028 0.000 2.579 17 G HA2 0.484 4.442 3.960 -0.002 0.000 0.292 17 G HA3 0.484 4.442 3.960 -0.002 0.000 0.292 17 G C -1.724 173.203 174.900 0.045 0.000 1.484 17 G CA -0.736 44.382 45.100 0.031 0.000 0.813 17 G HN 0.229 nan 8.290 nan 0.000 0.515 18 C N -0.748 118.585 119.300 0.055 0.000 2.880 18 C HA 0.909 5.368 4.460 -0.002 0.000 0.320 18 C C -0.773 174.230 174.990 0.023 0.000 1.176 18 C CA -0.998 58.042 59.018 0.037 0.000 1.390 18 C CB 0.979 28.800 27.740 0.134 0.000 1.846 18 C HN 1.155 nan 8.230 nan 0.000 0.478 19 V N 1.155 121.055 119.914 -0.022 0.000 3.007 19 V HA 0.846 4.965 4.120 -0.002 0.000 0.311 19 V C -0.335 175.734 176.094 -0.042 0.000 1.120 19 V CA 0.276 62.569 62.300 -0.013 0.000 0.980 19 V CB 2.529 34.344 31.823 -0.012 0.000 1.033 19 V HN 1.210 nan 8.190 nan 0.000 0.429 20 T N 2.724 117.262 114.554 -0.027 0.000 2.885 20 T HA 0.908 5.256 4.350 -0.002 0.000 0.285 20 T C -0.104 174.533 174.700 -0.104 0.000 1.019 20 T CA 0.520 62.580 62.100 -0.067 0.000 1.010 20 T CB 1.185 70.025 68.868 -0.045 0.000 1.022 20 T HN 1.557 nan 8.240 nan 0.000 0.466 21 G N 2.208 110.881 108.800 -0.212 0.000 2.360 21 G HA2 0.257 4.215 3.960 -0.002 0.000 0.276 21 G HA3 0.257 4.215 3.960 -0.002 0.000 0.276 21 G C -1.733 172.859 174.900 -0.513 0.000 1.256 21 G CA -0.671 44.216 45.100 -0.356 0.000 0.890 21 G HN 0.691 nan 8.290 nan 0.000 0.486 22 H N 0.456 119.566 119.070 0.066 0.000 2.423 22 H HA 0.423 4.977 4.556 -0.003 0.000 0.237 22 H C -0.129 175.248 175.328 0.083 0.000 1.391 22 H CA -0.513 55.563 56.048 0.048 0.000 1.453 22 H CB 0.867 30.643 29.762 0.023 0.000 1.484 22 H HN 0.298 nan 8.280 nan 0.000 0.505 23 F N 2.091 122.007 119.950 -0.056 0.000 2.453 23 F HA -0.068 4.458 4.527 -0.002 0.000 0.284 23 F C 2.308 178.000 175.800 -0.181 0.000 1.065 23 F CA 1.135 59.078 58.000 -0.094 0.000 1.411 23 F CB 0.206 39.140 39.000 -0.110 0.000 1.131 23 F HN 0.288 nan 8.300 nan 0.000 0.582 24 T N -1.540 112.757 114.554 -0.428 0.000 2.812 24 T HA 0.109 4.457 4.350 -0.002 0.000 0.264 24 T C 0.905 175.418 174.700 -0.312 0.000 1.042 24 T CA 0.827 62.460 62.100 -0.777 0.000 1.140 24 T CB -0.761 67.640 68.868 -0.778 0.000 0.870 24 T HN 0.349 nan 8.240 nan 0.000 0.445 25 S N -0.981 114.630 115.700 -0.149 0.000 2.615 25 S HA 0.745 5.214 4.470 -0.002 0.000 0.269 25 S C 0.918 175.516 174.600 -0.004 0.000 1.161 25 S CA -0.438 57.725 58.200 -0.062 0.000 0.817 25 S CB 1.195 64.367 63.200 -0.048 0.000 1.131 25 S HN 0.356 nan 8.310 nan 0.000 0.467 26 A N 0.310 123.116 122.820 -0.024 0.000 2.067 26 A HA 0.109 4.427 4.320 -0.002 0.000 0.219 26 A C 1.538 179.047 177.584 -0.124 0.000 1.158 26 A CA 1.592 53.591 52.037 -0.063 0.000 0.661 26 A CB -0.844 18.109 19.000 -0.078 0.000 0.801 26 A HN 0.834 nan 8.150 nan 0.000 0.452 27 E N 0.449 120.619 120.200 -0.051 0.000 2.340 27 E HA 0.055 4.403 4.350 -0.002 0.000 0.194 27 E C -0.287 176.338 176.600 0.040 0.000 0.996 27 E CA 0.114 56.493 56.400 -0.035 0.000 0.869 27 E CB 0.091 29.775 29.700 -0.027 0.000 0.835 27 E HN 0.428 nan 8.360 nan 0.000 0.493 28 D N 0.652 121.092 120.400 0.066 0.000 2.382 28 D HA 0.111 4.749 4.640 -0.002 0.000 0.245 28 D C -0.480 175.936 176.300 0.193 0.000 1.120 28 D CA -0.213 53.834 54.000 0.078 0.000 0.890 28 D CB 1.051 41.851 40.800 -0.001 0.000 1.201 28 D HN -0.035 nan 8.370 nan 0.000 0.433 29 L N 3.403 124.685 121.223 0.098 0.000 2.265 29 L HA 0.278 4.617 4.340 -0.002 0.000 0.289 29 L C -0.500 176.340 176.870 -0.051 0.000 1.033 29 L CA -0.397 54.443 54.840 0.000 0.000 0.814 29 L CB 0.495 42.558 42.059 0.007 0.000 1.203 29 L HN 0.155 nan 8.230 nan 0.000 0.423 30 N N 4.490 123.130 118.700 -0.099 0.000 2.466 30 N HA 0.459 5.198 4.740 -0.002 0.000 0.294 30 N C -1.334 174.131 175.510 -0.076 0.000 1.129 30 N CA -0.550 52.463 53.050 -0.062 0.000 0.931 30 N CB 2.401 40.868 38.487 -0.033 0.000 1.193 30 N HN 0.465 nan 8.380 nan 0.000 0.500 31 L N 2.002 123.199 121.223 -0.044 0.000 2.313 31 L HA 0.507 4.846 4.340 -0.002 0.000 0.283 31 L C -1.567 175.278 176.870 -0.042 0.000 1.013 31 L CA -0.541 54.247 54.840 -0.086 0.000 0.816 31 L CB 0.988 42.935 42.059 -0.187 0.000 1.236 31 L HN 0.311 nan 8.230 nan 0.000 0.419 32 L N 6.469 127.635 121.223 -0.096 0.000 2.322 32 L HA 0.580 4.918 4.340 -0.002 0.000 0.281 32 L C -0.577 176.221 176.870 -0.120 0.000 1.014 32 L CA 0.003 54.780 54.840 -0.105 0.000 0.815 32 L CB 1.684 43.647 42.059 -0.160 0.000 1.247 32 L HN 0.483 nan 8.230 nan 0.000 0.421 33 I N 2.744 123.251 120.570 -0.105 0.000 2.418 33 I HA 0.604 4.773 4.170 -0.002 0.000 0.287 33 I C -0.118 175.959 176.117 -0.067 0.000 1.008 33 I CA -0.756 60.483 61.300 -0.102 0.000 1.104 33 I CB 1.935 39.844 38.000 -0.152 0.000 1.264 33 I HN 0.660 nan 8.210 nan 0.000 0.438 34 A N 6.527 129.318 122.820 -0.049 0.000 2.276 34 A HA 0.538 4.856 4.320 -0.002 0.000 0.300 34 A C -0.135 177.432 177.584 -0.027 0.000 1.235 34 A CA -0.474 51.532 52.037 -0.053 0.000 0.867 34 A CB 0.248 19.212 19.000 -0.061 0.000 1.137 34 A HN 0.721 nan 8.150 nan 0.000 0.527 35 K N 3.271 123.651 120.400 -0.033 0.000 2.562 35 K HA 0.199 4.517 4.320 -0.002 0.000 0.206 35 K C 0.086 176.668 176.600 -0.030 0.000 1.033 35 K CA -0.505 55.772 56.287 -0.017 0.000 1.029 35 K CB 0.402 32.900 32.500 -0.003 0.000 1.393 35 K HN 0.911 nan 8.250 nan 0.000 0.539 36 N N 0.732 119.406 118.700 -0.043 0.000 3.267 36 N HA -0.312 4.427 4.740 -0.002 0.000 0.194 36 N C 1.001 176.461 175.510 -0.084 0.000 0.368 36 N CA 3.219 56.234 53.050 -0.059 0.000 2.017 36 N CB -1.136 37.332 38.487 -0.032 0.000 1.401 36 N HN 0.508 nan 8.380 nan 0.000 0.383 37 T N -1.531 112.981 114.554 -0.070 0.000 3.086 37 T HA 0.344 4.693 4.350 -0.002 0.000 0.250 37 T C 0.530 175.156 174.700 -0.122 0.000 1.074 37 T CA 0.023 62.043 62.100 -0.133 0.000 0.988 37 T CB 0.061 68.864 68.868 -0.108 0.000 0.988 37 T HN 0.307 nan 8.240 nan 0.000 0.530 38 R N 1.122 121.573 120.500 -0.082 0.000 2.445 38 R HA 0.596 4.935 4.340 -0.002 0.000 0.308 38 R C -1.387 174.862 176.300 -0.085 0.000 0.961 38 R CA -0.858 55.197 56.100 -0.075 0.000 0.862 38 R CB 2.006 32.281 30.300 -0.041 0.000 1.144 38 R HN 0.256 nan 8.270 nan 0.000 0.447 39 L N 2.437 123.601 121.223 -0.097 0.000 2.305 39 L HA 0.359 4.697 4.340 -0.002 0.000 0.284 39 L C -0.481 176.326 176.870 -0.106 0.000 1.013 39 L CA -0.071 54.708 54.840 -0.102 0.000 0.819 39 L CB 1.366 43.357 42.059 -0.114 0.000 1.227 39 L HN 0.512 nan 8.230 nan 0.000 0.417 40 E N 6.190 126.320 120.200 -0.116 0.000 2.175 40 E HA 0.491 4.839 4.350 -0.002 0.000 0.278 40 E C -1.047 175.407 176.600 -0.243 0.000 0.969 40 E CA -0.462 55.818 56.400 -0.201 0.000 0.796 40 E CB 2.170 31.785 29.700 -0.142 0.000 1.104 40 E HN 0.534 nan 8.360 nan 0.000 0.395 41 I N 3.199 123.554 120.570 -0.359 0.000 2.406 41 I HA 0.350 4.519 4.170 -0.002 0.000 0.290 41 I C -0.935 174.900 176.117 -0.471 0.000 0.999 41 I CA -0.743 60.408 61.300 -0.249 0.000 1.124 41 I CB 0.655 38.628 38.000 -0.044 0.000 1.289 41 I HN 0.459 nan 8.210 nan 0.000 0.441 42 Y N 4.404 124.639 120.300 -0.109 0.000 2.570 42 Y HA 0.631 5.180 4.550 -0.001 0.000 0.345 42 Y C -0.240 175.600 175.900 -0.101 0.000 1.014 42 Y CA -1.064 56.971 58.100 -0.108 0.000 1.063 42 Y CB 2.076 40.445 38.460 -0.152 0.000 1.272 42 Y HN 0.269 nan 8.280 nan 0.000 0.477 43 V N 2.488 122.455 119.914 0.088 0.000 2.513 43 V HA 0.585 4.703 4.120 -0.002 0.000 0.299 43 V C -1.079 175.033 176.094 0.029 0.000 1.035 43 V CA -0.788 61.527 62.300 0.026 0.000 0.889 43 V CB 1.418 33.238 31.823 -0.005 0.000 0.988 43 V HN 0.579 nan 8.190 nan 0.000 0.440 44 V N 6.906 126.818 119.914 -0.003 0.000 2.415 44 V HA 0.289 4.408 4.120 -0.002 0.000 0.267 44 V C 0.810 176.901 176.094 -0.007 0.000 1.042 44 V CA 0.393 62.681 62.300 -0.021 0.000 1.000 44 V CB 0.520 32.312 31.823 -0.051 0.000 1.015 44 V HN 1.070 nan 8.190 nan 0.000 0.478 45 T N 2.157 116.712 114.554 0.000 0.000 2.907 45 T HA 0.591 4.939 4.350 -0.002 0.000 0.284 45 T C 1.359 176.059 174.700 0.001 0.000 1.004 45 T CA -0.098 62.007 62.100 0.007 0.000 1.063 45 T CB 1.890 70.769 68.868 0.018 0.000 0.992 45 T HN 0.665 nan 8.240 nan 0.000 0.483 46 A N 1.577 124.400 122.820 0.004 0.000 2.009 46 A HA -0.117 4.202 4.320 -0.002 0.000 0.222 46 A C 0.944 178.530 177.584 0.004 0.000 1.175 46 A CA 1.484 53.523 52.037 0.003 0.000 0.651 46 A CB -0.746 18.259 19.000 0.008 0.000 0.815 46 A HN 0.910 nan 8.150 nan 0.000 0.459 47 E N -1.142 119.063 120.200 0.008 0.000 3.170 47 E HA 0.500 4.848 4.350 -0.002 0.000 0.212 47 E C 0.516 177.125 176.600 0.014 0.000 1.143 47 E CA 0.227 56.634 56.400 0.011 0.000 1.139 47 E CB 0.116 29.824 29.700 0.014 0.000 1.346 47 E HN 0.730 nan 8.360 nan 0.000 0.432 48 G N 0.866 109.672 108.800 0.009 0.000 2.601 48 G HA2 -0.154 3.805 3.960 -0.002 0.000 0.224 48 G HA3 -0.154 3.805 3.960 -0.002 0.000 0.224 48 G C -1.381 173.519 174.900 0.000 0.000 1.171 48 G CA -0.783 44.325 45.100 0.013 0.000 1.009 48 G HN 0.242 nan 8.290 nan 0.000 0.589 49 L N 0.619 121.846 121.223 0.008 0.000 2.438 49 L HA 0.741 5.079 4.340 -0.002 0.000 0.270 49 L C 0.207 177.130 176.870 0.088 0.000 0.972 49 L CA -0.591 54.244 54.840 -0.008 0.000 0.831 49 L CB 1.909 43.856 42.059 -0.186 0.000 1.273 49 L HN 0.801 nan 8.230 nan 0.000 0.405 50 R N 5.691 126.270 120.500 0.131 0.000 2.265 50 R HA 0.543 4.881 4.340 -0.002 0.000 0.328 50 R C -2.447 173.972 176.300 0.198 0.000 0.969 50 R CA -1.583 54.602 56.100 0.142 0.000 0.832 50 R CB 1.332 31.677 30.300 0.075 0.000 1.139 50 R HN 0.306 nan 8.270 nan 0.000 0.457 51 P HA -0.022 nan 4.420 nan 0.000 0.271 51 P C 0.355 177.603 177.300 -0.085 0.000 1.226 51 P CA -0.045 63.017 63.100 -0.062 0.000 0.765 51 P CB 1.445 33.135 31.700 -0.018 0.000 0.835 52 V N 0.685 120.505 119.914 -0.157 0.000 2.854 52 V HA 0.414 4.532 4.120 -0.002 0.000 0.236 52 V C 0.420 176.502 176.094 -0.021 0.000 1.157 52 V CA 0.878 63.151 62.300 -0.045 0.000 1.187 52 V CB -0.654 31.162 31.823 -0.011 0.000 0.949 52 V HN 0.339 nan 8.190 nan 0.000 0.488 53 K N 0.571 120.933 120.400 -0.064 0.000 2.535 53 K HA 0.498 4.817 4.320 -0.002 0.000 0.251 53 K C -1.379 175.161 176.600 -0.101 0.000 0.942 53 K CA -0.322 55.953 56.287 -0.021 0.000 0.798 53 K CB 2.071 34.646 32.500 0.126 0.000 1.267 53 K HN 0.420 nan 8.250 nan 0.000 0.434 54 E N 3.589 123.732 120.200 -0.094 0.000 2.176 54 E HA 0.473 4.822 4.350 -0.002 0.000 0.267 54 E C -1.096 175.463 176.600 -0.068 0.000 0.893 54 E CA -0.877 55.462 56.400 -0.101 0.000 0.761 54 E CB 1.477 31.115 29.700 -0.102 0.000 1.133 54 E HN 0.477 nan 8.360 nan 0.000 0.409 55 V N 0.697 120.569 119.914 -0.071 0.000 2.769 55 V HA 0.878 4.996 4.120 -0.002 0.000 0.312 55 V C 0.263 176.297 176.094 -0.100 0.000 1.061 55 V CA -0.771 61.480 62.300 -0.081 0.000 0.931 55 V CB 1.615 33.388 31.823 -0.083 0.000 1.010 55 V HN 0.618 nan 8.190 nan 0.000 0.433 56 G N 2.507 111.238 108.800 -0.115 0.000 2.437 56 G HA2 0.716 4.675 3.960 -0.002 0.000 0.319 56 G HA3 0.716 4.675 3.960 -0.002 0.000 0.319 56 G C -0.876 173.877 174.900 -0.246 0.000 1.158 56 G CA -0.894 44.124 45.100 -0.136 0.000 0.899 56 G HN 0.751 nan 8.290 nan 0.000 0.502 57 M N -0.084 119.340 119.600 -0.293 0.000 2.518 57 M HA 0.247 4.726 4.480 -0.002 0.000 0.300 57 M C -1.242 174.725 176.300 -0.555 0.000 1.175 57 M CA -0.744 54.299 55.300 -0.428 0.000 0.890 57 M CB 2.883 35.276 32.600 -0.346 0.000 1.710 57 M HN 0.474 nan 8.290 nan 0.000 0.453 58 Y N 1.223 121.159 120.300 -0.606 0.000 2.889 58 Y HA 0.517 5.065 4.550 -0.003 0.000 0.367 58 Y C 0.819 175.888 175.900 -1.384 0.000 1.197 58 Y CA -0.554 56.828 58.100 -1.196 0.000 1.993 58 Y CB -0.863 37.335 38.460 -0.438 0.000 2.112 58 Y HN 0.687 nan 8.280 nan 0.000 0.413 59 G N 0.253 108.153 108.800 -1.500 0.000 2.442 59 G HA2 0.297 4.256 3.960 -0.002 0.000 0.296 59 G HA3 0.297 4.256 3.960 -0.002 0.000 0.296 59 G C -1.478 173.063 174.900 -0.598 0.000 1.564 59 G CA -1.333 43.222 45.100 -0.908 0.000 0.828 59 G HN 0.084 nan 8.290 nan 0.000 0.571 60 K N 1.091 121.353 120.400 -0.230 0.000 2.316 60 K HA 0.341 4.659 4.320 -0.002 0.000 0.289 60 K C 0.298 176.803 176.600 -0.160 0.000 1.070 60 K CA -0.277 55.930 56.287 -0.134 0.000 0.928 60 K CB 1.435 33.895 32.500 -0.065 0.000 1.039 60 K HN 0.370 nan 8.250 nan 0.000 0.480 61 I N 3.135 123.607 120.570 -0.163 0.000 2.578 61 I HA -0.097 4.072 4.170 -0.002 0.000 0.286 61 I C 1.087 177.130 176.117 -0.123 0.000 1.126 61 I CA 0.292 61.499 61.300 -0.155 0.000 1.380 61 I CB 0.800 38.713 38.000 -0.146 0.000 1.408 61 I HN 0.796 nan 8.210 nan 0.000 0.532 62 A N 6.261 129.006 122.820 -0.125 0.000 2.167 62 A HA 0.395 4.713 4.320 -0.002 0.000 0.208 62 A C 0.539 178.090 177.584 -0.055 0.000 1.198 62 A CA 0.277 52.260 52.037 -0.090 0.000 0.863 62 A CB 0.593 19.529 19.000 -0.108 0.000 0.904 62 A HN 0.444 nan 8.150 nan 0.000 0.484 63 V N 0.297 120.169 119.914 -0.071 0.000 2.709 63 V HA 0.579 4.697 4.120 -0.002 0.000 0.308 63 V C -0.701 175.358 176.094 -0.059 0.000 1.062 63 V CA -0.263 62.031 62.300 -0.010 0.000 0.901 63 V CB 1.692 33.575 31.823 0.101 0.000 1.003 63 V HN 0.486 nan 8.190 nan 0.000 0.425 64 M N 4.466 124.067 119.600 0.002 0.000 2.150 64 M HA 0.536 5.014 4.480 -0.002 0.000 0.255 64 M C -1.817 174.516 176.300 0.055 0.000 0.963 64 M CA -0.172 55.116 55.300 -0.020 0.000 1.033 64 M CB 1.338 33.898 32.600 -0.068 0.000 2.007 64 M HN 0.641 nan 8.290 nan 0.000 0.462 65 E N 4.827 125.111 120.200 0.141 0.000 2.272 65 E HA 0.497 4.846 4.350 -0.002 0.000 0.269 65 E C -1.416 175.329 176.600 0.242 0.000 0.877 65 E CA -0.654 55.854 56.400 0.180 0.000 0.755 65 E CB 3.096 32.919 29.700 0.206 0.000 1.192 65 E HN 0.739 nan 8.360 nan 0.000 0.422 66 L N 3.255 124.589 121.223 0.185 0.000 2.357 66 L HA 0.567 4.906 4.340 -0.002 0.000 0.273 66 L C -0.201 176.887 176.870 0.363 0.000 1.080 66 L CA -0.698 54.261 54.840 0.198 0.000 0.803 66 L CB 0.360 42.453 42.059 0.057 0.000 1.174 66 L HN 0.506 nan 8.230 nan 0.000 0.443 67 F N 0.333 120.338 119.950 0.090 0.000 2.693 67 F HA 0.636 5.162 4.527 -0.002 0.000 0.309 67 F C -0.933 174.925 175.800 0.096 0.000 1.129 67 F CA -1.193 56.858 58.000 0.084 0.000 0.948 67 F CB 1.657 40.689 39.000 0.053 0.000 1.315 67 F HN 0.270 nan 8.300 nan 0.000 0.447 68 R N 2.765 123.309 120.500 0.073 0.000 2.412 68 R HA 0.538 4.876 4.340 -0.002 0.000 0.304 68 R C -3.007 173.331 176.300 0.063 0.000 1.066 68 R CA -1.745 54.341 56.100 -0.024 0.000 0.923 68 R CB 1.441 31.759 30.300 0.030 0.000 1.156 68 R HN 0.485 nan 8.270 nan 0.000 0.513 69 P HA 0.001 nan 4.420 nan 0.000 0.272 69 P C -1.072 176.257 177.300 0.049 0.000 1.223 69 P CA -0.397 62.762 63.100 0.098 0.000 0.784 69 P CB 0.613 32.379 31.700 0.110 0.000 0.923 70 K N 1.350 121.779 120.400 0.049 0.000 2.484 70 K HA 0.195 4.513 4.320 -0.002 0.000 0.280 70 K C 0.918 177.532 176.600 0.022 0.000 1.013 70 K CA 0.952 57.259 56.287 0.033 0.000 1.029 70 K CB -0.718 31.800 32.500 0.030 0.000 0.902 70 K HN 0.781 nan 8.250 nan 0.000 0.481 71 G N 2.676 111.484 108.800 0.014 0.000 2.136 71 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.242 71 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.242 71 G C -0.444 174.457 174.900 0.001 0.000 0.989 71 G CA -0.025 45.079 45.100 0.007 0.000 0.682 71 G HN 0.626 nan 8.290 nan 0.000 0.522 72 E N 0.175 120.373 120.200 -0.004 0.000 2.191 72 E HA 0.477 4.825 4.350 -0.002 0.000 0.278 72 E C 1.106 177.695 176.600 -0.018 0.000 0.972 72 E CA 0.142 56.532 56.400 -0.017 0.000 0.804 72 E CB 1.571 31.249 29.700 -0.037 0.000 1.110 72 E HN 0.133 nan 8.360 nan 0.000 0.394 73 S N 3.246 118.933 115.700 -0.022 0.000 2.383 73 S HA -0.115 4.354 4.470 -0.002 0.000 0.227 73 S C 0.594 175.180 174.600 -0.024 0.000 1.026 73 S CA 1.309 59.495 58.200 -0.024 0.000 0.981 73 S CB 0.127 63.311 63.200 -0.026 0.000 0.818 73 S HN 0.520 nan 8.310 nan 0.000 0.472 74 K N -0.478 119.908 120.400 -0.023 0.000 2.499 74 K HA 0.445 4.764 4.320 -0.002 0.000 0.277 74 K C -1.844 174.759 176.600 0.006 0.000 1.025 74 K CA -1.013 55.273 56.287 -0.002 0.000 0.900 74 K CB 0.118 32.608 32.500 -0.016 0.000 1.494 74 K HN -0.172 nan 8.250 nan 0.000 0.442 75 D N 1.162 121.605 120.400 0.071 0.000 2.472 75 D HA 0.128 4.767 4.640 -0.002 0.000 0.237 75 D C -0.163 176.184 176.300 0.078 0.000 1.141 75 D CA 0.294 54.333 54.000 0.063 0.000 0.875 75 D CB 0.400 41.295 40.800 0.157 0.000 1.192 75 D HN 0.321 nan 8.370 nan 0.000 0.450 76 L N 1.478 122.582 121.223 -0.199 0.000 2.352 76 L HA 0.443 4.781 4.340 -0.002 0.000 0.269 76 L C -0.195 176.612 176.870 -0.106 0.000 1.034 76 L CA -1.174 53.565 54.840 -0.168 0.000 0.806 76 L CB 1.024 42.789 42.059 -0.489 0.000 1.244 76 L HN 0.161 nan 8.230 nan 0.000 0.447 77 L N 1.767 123.050 121.223 0.099 0.000 2.298 77 L HA 0.434 4.773 4.340 -0.002 0.000 0.284 77 L C -0.874 176.163 176.870 0.278 0.000 1.013 77 L CA -0.042 54.823 54.840 0.043 0.000 0.824 77 L CB 1.079 42.906 42.059 -0.386 0.000 1.221 77 L HN 0.307 nan 8.230 nan 0.000 0.418 78 F N 6.449 126.578 119.950 0.299 0.000 2.424 78 F HA 0.584 5.109 4.527 -0.003 0.000 0.356 78 F C -0.515 175.309 175.800 0.041 0.000 1.110 78 F CA -0.353 57.755 58.000 0.180 0.000 1.161 78 F CB 0.469 39.515 39.000 0.076 0.000 1.115 78 F HN 0.354 nan 8.300 nan 0.000 0.507 79 I N 7.303 127.432 120.570 -0.735 0.000 2.465 79 I HA 0.333 4.501 4.170 -0.002 0.000 0.291 79 I C -1.431 174.087 176.117 -0.998 0.000 1.014 79 I CA -1.153 59.735 61.300 -0.687 0.000 1.093 79 I CB 2.032 39.821 38.000 -0.352 0.000 1.267 79 I HN 0.470 nan 8.210 nan 0.000 0.431 80 L N 6.598 127.411 121.223 -0.684 0.000 2.362 80 L HA 0.533 4.871 4.340 -0.002 0.000 0.275 80 L C 0.250 176.980 176.870 -0.234 0.000 0.998 80 L CA 0.015 54.621 54.840 -0.390 0.000 0.820 80 L CB 1.901 43.865 42.059 -0.158 0.000 1.270 80 L HN 0.716 nan 8.230 nan 0.000 0.415 81 T N 1.423 115.863 114.554 -0.190 0.000 2.847 81 T HA 0.556 4.904 4.350 -0.002 0.000 0.279 81 T C 1.148 175.716 174.700 -0.220 0.000 0.984 81 T CA -0.111 61.884 62.100 -0.174 0.000 0.988 81 T CB 1.338 70.123 68.868 -0.138 0.000 1.040 81 T HN 0.732 nan 8.240 nan 0.000 0.528 82 A N 0.335 123.034 122.820 -0.202 0.000 2.121 82 A HA 0.061 4.380 4.320 -0.002 0.000 0.218 82 A C 1.994 179.294 177.584 -0.474 0.000 1.154 82 A CA 0.854 52.717 52.037 -0.289 0.000 0.679 82 A CB -0.626 18.319 19.000 -0.092 0.000 0.795 82 A HN 0.846 nan 8.150 nan 0.000 0.458 83 K N -1.617 118.635 120.400 -0.246 0.000 2.437 83 K HA 0.241 4.559 4.320 -0.002 0.000 0.198 83 K C -0.874 175.802 176.600 0.126 0.000 1.024 83 K CA -0.171 56.053 56.287 -0.105 0.000 1.148 83 K CB -0.079 32.437 32.500 0.027 0.000 0.860 83 K HN 0.511 nan 8.250 nan 0.000 0.515 84 Y N -1.185 119.158 120.300 0.072 0.000 4.569 84 Y HA -0.280 4.268 4.550 -0.003 0.000 0.237 84 Y C -0.455 175.458 175.900 0.021 0.000 1.090 84 Y CA -0.186 57.940 58.100 0.043 0.000 2.052 84 Y CB -2.564 35.936 38.460 0.067 0.000 1.621 84 Y HN 0.221 nan 8.280 nan 0.000 0.682 85 N N 1.707 120.460 118.700 0.089 0.000 2.416 85 N HA 0.479 5.217 4.740 -0.002 0.000 0.265 85 N C 0.289 175.779 175.510 -0.033 0.000 1.195 85 N CA 0.701 53.760 53.050 0.015 0.000 0.943 85 N CB 1.215 39.696 38.487 -0.009 0.000 1.115 85 N HN 0.411 nan 8.380 nan 0.000 0.481 86 A N 1.798 124.620 122.820 0.004 0.000 2.303 86 A HA 0.692 5.010 4.320 -0.002 0.000 0.317 86 A C 0.251 177.834 177.584 -0.003 0.000 1.149 86 A CA -0.570 51.458 52.037 -0.016 0.000 0.822 86 A CB 0.538 19.642 19.000 0.174 0.000 1.131 86 A HN 0.861 nan 8.150 nan 0.000 0.493 87 C N 0.386 119.631 119.300 -0.091 0.000 3.241 87 C HA 0.714 5.172 4.460 -0.002 0.000 0.348 87 C C -1.072 173.971 174.990 0.087 0.000 1.180 87 C CA -0.828 58.208 59.018 0.030 0.000 1.273 87 C CB -0.331 27.402 27.740 -0.011 0.000 1.620 87 C HN 0.753 nan 8.230 nan 0.000 0.510 88 I N 2.743 123.432 120.570 0.199 0.000 2.362 88 I HA 0.559 4.728 4.170 -0.002 0.000 0.289 88 I C -0.401 175.820 176.117 0.173 0.000 0.994 88 I CA -0.422 61.043 61.300 0.275 0.000 1.158 88 I CB 1.399 39.611 38.000 0.352 0.000 1.315 88 I HN 0.581 nan 8.210 nan 0.000 0.451 89 L N 5.995 127.321 121.223 0.172 0.000 2.330 89 L HA 0.626 4.965 4.340 -0.002 0.000 0.271 89 L C -0.329 176.709 176.870 0.280 0.000 1.013 89 L CA -0.624 54.321 54.840 0.175 0.000 0.816 89 L CB 2.090 44.240 42.059 0.153 0.000 1.287 89 L HN 0.565 nan 8.230 nan 0.000 0.435 90 E N 0.805 121.124 120.200 0.197 0.000 2.292 90 E HA 0.236 4.585 4.350 -0.002 0.000 0.272 90 E C -1.900 174.654 176.600 -0.077 0.000 0.881 90 E CA -0.734 55.714 56.400 0.081 0.000 0.754 90 E CB 2.266 31.970 29.700 0.007 0.000 1.201 90 E HN 0.475 nan 8.360 nan 0.000 0.425 91 Y N 4.116 124.058 120.300 -0.598 0.000 2.393 91 Y HA 0.243 4.793 4.550 -0.000 0.000 0.338 91 Y C -0.708 174.995 175.900 -0.329 0.000 1.029 91 Y CA 0.061 57.807 58.100 -0.591 0.000 1.239 91 Y CB 0.508 38.306 38.460 -1.104 0.000 1.170 91 Y HN 0.194 nan 8.280 nan 0.000 0.515 92 K N 6.687 126.787 120.400 -0.499 0.000 2.376 92 K HA 0.277 4.595 4.320 -0.002 0.000 0.257 92 K C -1.123 175.223 176.600 -0.423 0.000 0.939 92 K CA -0.690 55.404 56.287 -0.322 0.000 0.809 92 K CB 2.253 34.627 32.500 -0.210 0.000 1.121 92 K HN 0.803 nan 8.250 nan 0.000 0.425 96 E N 0.958 121.132 120.200 -0.043 0.000 2.452 96 E HA 0.230 4.579 4.350 -0.002 0.000 0.197 96 E C 0.207 176.777 176.600 -0.051 0.000 1.022 96 E CA 0.183 56.556 56.400 -0.044 0.000 0.890 96 E CB 0.858 30.523 29.700 -0.057 0.000 0.918 96 E HN 0.277 nan 8.360 nan 0.000 0.496 97 S N 1.189 116.851 115.700 -0.064 0.000 2.489 97 S HA 0.390 4.859 4.470 -0.002 0.000 0.277 97 S C 0.273 174.801 174.600 -0.121 0.000 1.230 97 S CA -0.273 57.879 58.200 -0.080 0.000 1.053 97 S CB 0.860 64.014 63.200 -0.076 0.000 0.955 97 S HN 0.071 nan 8.310 nan 0.000 0.488 98 I N 3.261 123.744 120.570 -0.146 0.000 2.389 98 I HA 0.396 4.564 4.170 -0.002 0.000 0.288 98 I C -0.486 175.467 176.117 -0.274 0.000 0.999 98 I CA -0.421 60.721 61.300 -0.263 0.000 1.129 98 I CB 1.435 39.296 38.000 -0.231 0.000 1.288 98 I HN 0.453 nan 8.210 nan 0.000 0.444 99 D N 6.806 126.997 120.400 -0.349 0.000 2.575 99 D HA 0.451 5.090 4.640 -0.002 0.000 0.236 99 D C -0.668 175.452 176.300 -0.300 0.000 1.075 99 D CA -0.371 53.474 54.000 -0.259 0.000 0.860 99 D CB 3.191 43.882 40.800 -0.183 0.000 1.475 99 D HN 0.165 nan 8.370 nan 0.000 0.474 100 I N 2.741 123.204 120.570 -0.178 0.000 2.337 100 I HA 0.251 4.420 4.170 -0.002 0.000 0.285 100 I C 0.175 176.253 176.117 -0.065 0.000 1.041 100 I CA -0.564 60.682 61.300 -0.091 0.000 1.199 100 I CB 0.402 38.403 38.000 0.001 0.000 1.370 100 I HN 0.178 nan 8.210 nan 0.000 0.470 101 I N 5.507 126.042 120.570 -0.058 0.000 2.441 101 I HA 0.080 4.249 4.170 -0.002 0.000 0.287 101 I C 0.872 176.986 176.117 -0.004 0.000 1.049 101 I CA 0.479 61.753 61.300 -0.043 0.000 1.381 101 I CB 0.914 38.884 38.000 -0.049 0.000 1.409 101 I HN 0.441 nan 8.210 nan 0.000 0.523 102 T N 7.274 121.816 114.554 -0.020 0.000 2.723 102 T HA 0.237 4.585 4.350 -0.002 0.000 0.297 102 T C 1.388 176.112 174.700 0.039 0.000 0.925 102 T CA -0.488 61.612 62.100 0.000 0.000 1.030 102 T CB 0.656 69.482 68.868 -0.069 0.000 0.905 102 T HN 0.404 nan 8.240 nan 0.000 0.502 103 R N 1.957 122.502 120.500 0.074 0.000 2.055 103 R HA 0.254 4.592 4.340 -0.002 0.000 0.226 103 R C 0.885 177.256 176.300 0.119 0.000 1.135 103 R CA 0.542 56.694 56.100 0.086 0.000 0.959 103 R CB -0.088 30.267 30.300 0.093 0.000 0.854 103 R HN 0.651 nan 8.270 nan 0.000 0.431 104 A N 1.179 124.092 122.820 0.154 0.000 2.454 104 A HA 0.615 4.934 4.320 -0.002 0.000 0.302 104 A C -1.063 176.658 177.584 0.228 0.000 1.079 104 A CA -0.640 51.498 52.037 0.168 0.000 0.731 104 A CB 1.534 20.620 19.000 0.143 0.000 1.299 104 A HN 0.519 nan 8.150 nan 0.000 0.413 105 H N -0.449 118.645 119.070 0.041 0.000 3.068 105 H HA 0.721 5.275 4.556 -0.003 0.000 0.342 105 H C -0.721 174.611 175.328 0.006 0.000 1.284 105 H CA -0.261 55.798 56.048 0.018 0.000 1.181 105 H CB 1.218 30.974 29.762 -0.010 0.000 1.898 105 H HN 1.831 nan 8.280 nan 0.000 0.540 106 G N 1.443 110.193 108.800 -0.083 0.000 2.442 106 G HA2 0.085 4.044 3.960 -0.002 0.000 0.296 106 G HA3 0.085 4.044 3.960 -0.002 0.000 0.296 106 G C -1.787 173.088 174.900 -0.042 0.000 1.564 106 G CA -1.013 44.002 45.100 -0.142 0.000 0.828 106 G HN 0.688 nan 8.290 nan 0.000 0.571 107 N N 0.228 118.888 118.700 -0.066 0.000 2.458 107 N HA 0.251 4.990 4.740 -0.002 0.000 0.270 107 N C 1.068 176.586 175.510 0.014 0.000 1.102 107 N CA 0.129 53.164 53.050 -0.025 0.000 0.967 107 N CB 1.749 40.180 38.487 -0.092 0.000 1.078 107 N HN 0.865 nan 8.380 nan 0.000 0.471 108 V N 1.421 121.377 119.914 0.070 0.000 3.177 108 V HA 0.158 4.277 4.120 -0.002 0.000 0.342 108 V C 0.811 176.907 176.094 0.003 0.000 1.379 108 V CA -0.541 61.783 62.300 0.040 0.000 1.191 108 V CB -0.726 31.125 31.823 0.047 0.000 1.167 108 V HN 0.689 nan 8.190 nan 0.000 0.471 109 Q N 0.300 120.094 119.800 -0.010 0.000 2.421 109 Q HA 0.223 4.561 4.340 -0.002 0.000 0.255 109 Q C -1.079 174.867 176.000 -0.090 0.000 1.013 109 Q CA 0.036 55.721 55.803 -0.196 0.000 0.895 109 Q CB 0.689 29.369 28.738 -0.096 0.000 1.271 109 Q HN 0.451 nan 8.270 nan 0.000 0.460 110 D N 2.071 122.412 120.400 -0.098 0.000 2.280 110 D HA 0.148 4.787 4.640 -0.002 0.000 0.236 110 D C 0.700 176.847 176.300 -0.255 0.000 1.082 110 D CA -0.504 53.377 54.000 -0.198 0.000 0.834 110 D CB 1.286 41.889 40.800 -0.329 0.000 1.100 110 D HN 0.497 nan 8.370 nan 0.000 0.486 111 R N 1.131 121.550 120.500 -0.134 0.000 2.103 111 R HA -0.103 4.235 4.340 -0.002 0.000 0.242 111 R C 0.511 176.743 176.300 -0.113 0.000 1.142 111 R CA 0.855 56.913 56.100 -0.071 0.000 0.960 111 R CB -0.142 30.142 30.300 -0.027 0.000 0.858 111 R HN 0.365 nan 8.270 nan 0.000 0.439 112 I N -0.662 119.800 120.570 -0.180 0.000 2.412 112 I HA 0.455 4.624 4.170 -0.002 0.000 0.296 112 I C 0.164 176.042 176.117 -0.397 0.000 0.987 112 I CA -0.066 61.112 61.300 -0.202 0.000 1.180 112 I CB 1.954 39.880 38.000 -0.124 0.000 1.340 112 I HN 0.287 nan 8.210 nan 0.000 0.455 113 G N 4.877 113.430 108.800 -0.411 0.000 2.341 113 G HA2 0.250 4.209 3.960 -0.002 0.000 0.300 113 G HA3 0.250 4.209 3.960 -0.002 0.000 0.300 113 G C -1.498 173.249 174.900 -0.256 0.000 1.706 113 G CA -1.095 43.613 45.100 -0.653 0.000 0.916 113 G HN 0.545 nan 8.290 nan 0.000 0.716 114 R N 2.695 123.178 120.500 -0.028 0.000 2.204 114 R HA 0.537 4.876 4.340 -0.002 0.000 0.341 114 R C -2.341 174.120 176.300 0.269 0.000 1.035 114 R CA -1.603 54.559 56.100 0.104 0.000 0.887 114 R CB 0.763 31.091 30.300 0.048 0.000 1.114 114 R HN 0.263 nan 8.270 nan 0.000 0.473 115 P HA -0.008 nan 4.420 nan 0.000 0.266 115 P C -0.759 176.607 177.300 0.109 0.000 1.195 115 P CA 0.229 63.474 63.100 0.241 0.000 0.768 115 P CB 1.036 32.861 31.700 0.208 0.000 0.838 116 S N 1.328 117.067 115.700 0.065 0.000 2.603 116 S HA 0.043 4.511 4.470 -0.002 0.000 0.268 116 S C 1.417 176.024 174.600 0.012 0.000 1.317 116 S CA -0.490 57.728 58.200 0.029 0.000 1.012 116 S CB 0.514 63.734 63.200 0.034 0.000 0.926 116 S HN 0.505 nan 8.310 nan 0.000 0.539 117 E N 0.912 121.100 120.200 -0.021 0.000 2.047 117 E HA -0.135 4.214 4.350 -0.002 0.000 0.191 117 E C 1.679 178.301 176.600 0.037 0.000 0.987 117 E CA 1.493 57.883 56.400 -0.016 0.000 0.799 117 E CB -0.068 29.587 29.700 -0.076 0.000 0.752 117 E HN 0.814 nan 8.360 nan 0.000 0.449 118 T N -1.830 112.766 114.554 0.070 0.000 3.219 118 T HA 0.338 4.686 4.350 -0.002 0.000 0.249 118 T C 0.786 175.519 174.700 0.056 0.000 1.099 118 T CA 0.268 62.414 62.100 0.076 0.000 0.988 118 T CB 0.164 69.094 68.868 0.103 0.000 0.999 118 T HN 0.341 nan 8.240 nan 0.000 0.550 119 G N 1.564 110.390 108.800 0.042 0.000 2.741 119 G HA2 -0.165 3.793 3.960 -0.002 0.000 0.222 119 G HA3 -0.165 3.793 3.960 -0.002 0.000 0.222 119 G C -0.429 174.483 174.900 0.021 0.000 1.364 119 G CA -0.565 44.554 45.100 0.031 0.000 0.866 119 G HN 0.633 nan 8.290 nan 0.000 0.555 120 I N 0.591 121.166 120.570 0.008 0.000 2.668 120 I HA 0.237 4.406 4.170 -0.002 0.000 0.285 120 I C 0.693 176.820 176.117 0.018 0.000 1.168 120 I CA 0.587 61.886 61.300 -0.002 0.000 1.424 120 I CB 0.135 38.122 38.000 -0.022 0.000 1.377 120 I HN 0.324 nan 8.210 nan 0.000 0.560 121 I N 5.705 126.288 120.570 0.022 0.000 2.436 121 I HA 0.464 4.633 4.170 -0.002 0.000 0.289 121 I C 0.312 176.452 176.117 0.039 0.000 1.010 121 I CA -0.392 60.934 61.300 0.043 0.000 1.098 121 I CB 1.927 39.962 38.000 0.059 0.000 1.266 121 I HN 0.592 nan 8.210 nan 0.000 0.434 122 G N 7.391 116.232 108.800 0.069 0.000 2.544 122 G HA2 0.787 4.746 3.960 -0.002 0.000 0.313 122 G HA3 0.787 4.746 3.960 -0.002 0.000 0.313 122 G C -0.883 174.061 174.900 0.073 0.000 1.316 122 G CA -0.452 44.695 45.100 0.078 0.000 0.944 122 G HN 0.637 nan 8.290 nan 0.000 0.489 123 I N -0.471 120.126 120.570 0.044 0.000 2.730 123 I HA 0.717 4.886 4.170 -0.002 0.000 0.298 123 I C -0.943 175.273 176.117 0.165 0.000 1.089 123 I CA -1.469 59.907 61.300 0.128 0.000 1.041 123 I CB 2.604 40.689 38.000 0.141 0.000 1.235 123 I HN 0.234 nan 8.210 nan 0.000 0.423 124 I N 3.886 124.528 120.570 0.120 0.000 2.465 124 I HA 0.301 4.470 4.170 -0.002 0.000 0.291 124 I C -0.550 175.487 176.117 -0.133 0.000 1.014 124 I CA -0.693 60.537 61.300 -0.117 0.000 1.093 124 I CB 1.870 39.691 38.000 -0.297 0.000 1.267 124 I HN 0.716 nan 8.210 nan 0.000 0.431 125 D N 6.915 126.954 120.400 -0.601 0.000 2.339 125 D HA 0.144 4.782 4.640 -0.002 0.000 0.245 125 D C -2.127 173.955 176.300 -0.363 0.000 1.115 125 D CA -1.450 52.095 54.000 -0.758 0.000 0.917 125 D CB 1.841 41.807 40.800 -1.389 0.000 1.192 125 D HN 0.175 nan 8.370 nan 0.000 0.428 126 P HA -0.107 nan 4.420 nan 0.000 0.218 126 P C 0.457 177.714 177.300 -0.072 0.000 1.148 126 P CA 1.272 64.240 63.100 -0.221 0.000 0.822 126 P CB 0.150 31.619 31.700 -0.385 0.000 0.784 127 E N -2.039 118.097 120.200 -0.107 0.000 2.444 127 E HA 0.116 4.464 4.350 -0.002 0.000 0.191 127 E C -0.069 176.504 176.600 -0.045 0.000 1.041 127 E CA -0.151 56.223 56.400 -0.044 0.000 0.883 127 E CB -0.520 29.157 29.700 -0.040 0.000 1.024 127 E HN 0.084 nan 8.360 nan 0.000 0.470 128 C N 0.835 120.086 119.300 -0.081 0.000 4.268 128 C HA -0.180 4.279 4.460 -0.002 0.000 0.299 128 C C 1.656 176.592 174.990 -0.091 0.000 1.429 128 C CA 0.451 59.433 59.018 -0.059 0.000 2.018 128 C CB -2.203 25.613 27.740 0.128 0.000 1.277 128 C HN 0.490 nan 8.230 nan 0.000 0.767 129 R N 0.156 120.563 120.500 -0.155 0.000 2.127 129 R HA 0.211 4.549 4.340 -0.002 0.000 0.217 129 R C 0.892 177.099 176.300 -0.155 0.000 1.074 129 R CA 1.504 57.530 56.100 -0.125 0.000 0.991 129 R CB 0.083 30.318 30.300 -0.109 0.000 0.895 129 R HN 0.874 nan 8.270 nan 0.000 0.450 130 M N -1.689 117.749 119.600 -0.270 0.000 2.520 130 M HA 0.423 4.901 4.480 -0.002 0.000 0.280 130 M C -1.295 174.799 176.300 -0.343 0.000 1.232 130 M CA -0.808 54.339 55.300 -0.256 0.000 0.892 130 M CB 2.276 34.787 32.600 -0.149 0.000 1.728 130 M HN -0.274 nan 8.290 nan 0.000 0.475 131 I N 1.996 122.363 120.570 -0.339 0.000 2.315 131 I HA 0.556 4.724 4.170 -0.002 0.000 0.291 131 I C 0.522 176.505 176.117 -0.223 0.000 1.006 131 I CA -0.346 60.720 61.300 -0.389 0.000 1.265 131 I CB 1.539 39.106 38.000 -0.722 0.000 1.387 131 I HN 0.903 nan 8.210 nan 0.000 0.475 132 G N 6.962 115.776 108.800 0.023 0.000 2.348 132 G HA2 0.637 4.595 3.960 -0.002 0.000 0.312 132 G HA3 0.637 4.595 3.960 -0.002 0.000 0.312 132 G C -1.089 173.565 174.900 -0.410 0.000 1.126 132 G CA -0.315 44.642 45.100 -0.240 0.000 0.865 132 G HN 0.270 nan 8.290 nan 0.000 0.474 133 L N 2.232 123.017 121.223 -0.730 0.000 2.406 133 L HA 0.504 4.842 4.340 -0.002 0.000 0.272 133 L C -0.154 176.478 176.870 -0.395 0.000 0.980 133 L CA -1.028 53.574 54.840 -0.396 0.000 0.831 133 L CB 1.937 43.832 42.059 -0.273 0.000 1.253 133 L HN 0.428 nan 8.230 nan 0.000 0.406 134 R N 4.399 124.816 120.500 -0.137 0.000 2.233 134 R HA 0.433 4.772 4.340 -0.002 0.000 0.334 134 R C 0.010 176.251 176.300 -0.097 0.000 1.037 134 R CA -0.090 55.989 56.100 -0.036 0.000 0.920 134 R CB 0.445 30.792 30.300 0.079 0.000 1.137 134 R HN 0.761 nan 8.270 nan 0.000 0.492 135 L N 3.474 124.566 121.223 -0.218 0.000 2.445 135 L HA 0.280 4.618 4.340 -0.002 0.000 0.207 135 L C -0.133 176.374 176.870 -0.606 0.000 1.053 135 L CA 0.372 54.923 54.840 -0.482 0.000 0.841 135 L CB 0.129 41.689 42.059 -0.833 0.000 1.074 135 L HN 0.394 nan 8.230 nan 0.000 0.479 136 Y N -0.943 119.372 120.300 0.025 0.000 2.545 136 Y HA 0.345 4.893 4.550 -0.003 0.000 0.348 136 Y C -0.465 175.446 175.900 0.017 0.000 1.002 136 Y CA -1.646 56.463 58.100 0.014 0.000 1.039 136 Y CB 0.942 39.391 38.460 -0.019 0.000 1.271 136 Y HN -0.155 nan 8.280 nan 0.000 0.467 137 D N 0.761 121.264 120.400 0.171 0.000 2.455 137 D HA 0.295 4.934 4.640 -0.002 0.000 0.241 137 D C 1.139 177.497 176.300 0.097 0.000 1.138 137 D CA 1.783 55.843 54.000 0.101 0.000 0.877 137 D CB 1.095 41.932 40.800 0.062 0.000 1.187 137 D HN 0.903 nan 8.370 nan 0.000 0.451 138 G N 1.166 110.011 108.800 0.075 0.000 2.199 138 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.254 138 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.254 138 G C 0.104 175.050 174.900 0.076 0.000 0.982 138 G CA 0.074 45.211 45.100 0.062 0.000 0.632 138 G HN 0.444 nan 8.290 nan 0.000 0.529 139 L N -0.852 120.435 121.223 0.107 0.000 2.401 139 L HA 0.789 5.128 4.340 -0.002 0.000 0.266 139 L C -0.918 176.055 176.870 0.171 0.000 0.991 139 L CA -1.223 53.687 54.840 0.118 0.000 0.818 139 L CB 2.118 44.242 42.059 0.109 0.000 1.321 139 L HN 0.048 nan 8.230 nan 0.000 0.413 140 F N 2.931 122.866 119.950 -0.025 0.000 2.445 140 F HA 0.437 4.963 4.527 -0.002 0.000 0.348 140 F C -0.129 175.588 175.800 -0.139 0.000 1.125 140 F CA -0.720 57.252 58.000 -0.047 0.000 0.983 140 F CB 1.281 40.335 39.000 0.090 0.000 1.198 140 F HN 0.303 nan 8.300 nan 0.000 0.436 141 K N 5.495 125.554 120.400 -0.568 0.000 2.201 141 K HA 0.644 4.963 4.320 -0.002 0.000 0.278 141 K C -1.588 174.544 176.600 -0.779 0.000 1.027 141 K CA -0.481 55.478 56.287 -0.547 0.000 0.909 141 K CB 1.078 33.376 32.500 -0.336 0.000 1.062 141 K HN 0.507 nan 8.250 nan 0.000 0.465 142 V N 6.543 125.978 119.914 -0.800 0.000 2.448 142 V HA 0.373 4.492 4.120 -0.002 0.000 0.295 142 V C -0.257 175.476 176.094 -0.602 0.000 1.025 142 V CA -0.775 61.072 62.300 -0.756 0.000 0.859 142 V CB 1.413 32.619 31.823 -1.028 0.000 0.988 142 V HN 0.693 nan 8.190 nan 0.000 0.431 143 I N 6.953 127.301 120.570 -0.369 0.000 2.337 143 I HA 0.341 4.510 4.170 -0.002 0.000 0.285 143 I C -2.418 173.600 176.117 -0.164 0.000 1.041 143 I CA -1.970 59.191 61.300 -0.232 0.000 1.199 143 I CB 1.733 39.608 38.000 -0.208 0.000 1.370 143 I HN 0.393 nan 8.210 nan 0.000 0.470 144 P HA 0.041 nan 4.420 nan 0.000 0.265 144 P C 0.014 177.291 177.300 -0.038 0.000 1.193 144 P CA 0.029 63.120 63.100 -0.015 0.000 0.765 144 P CB 0.579 32.320 31.700 0.068 0.000 0.823 145 L N 2.938 124.132 121.223 -0.048 0.000 2.998 145 L HA 0.143 4.482 4.340 -0.002 0.000 0.234 145 L C 0.215 177.096 176.870 0.018 0.000 1.350 145 L CA -0.218 54.609 54.840 -0.020 0.000 1.202 145 L CB -0.578 41.459 42.059 -0.036 0.000 1.583 145 L HN 0.247 nan 8.230 nan 0.000 0.456 146 D N 0.283 120.694 120.400 0.018 0.000 2.389 146 D HA 0.017 4.655 4.640 -0.002 0.000 0.247 146 D C 1.052 177.373 176.300 0.034 0.000 1.128 146 D CA -0.082 53.932 54.000 0.025 0.000 0.884 146 D CB 1.270 42.082 40.800 0.021 0.000 1.194 146 D HN 0.130 nan 8.370 nan 0.000 0.441 147 R N 0.852 121.373 120.500 0.035 0.000 2.285 147 R HA -0.098 4.241 4.340 -0.002 0.000 0.213 147 R C 0.080 176.400 176.300 0.034 0.000 1.068 147 R CA 0.810 56.934 56.100 0.040 0.000 1.004 147 R CB 0.274 30.595 30.300 0.035 0.000 0.873 147 R HN 0.336 nan 8.270 nan 0.000 0.467 148 D N -0.849 119.566 120.400 0.026 0.000 2.339 148 D HA -0.043 4.595 4.640 -0.002 0.000 0.217 148 D C -0.017 176.294 176.300 0.019 0.000 1.050 148 D CA 0.355 54.368 54.000 0.020 0.000 0.856 148 D CB 0.042 40.851 40.800 0.014 0.000 0.922 148 D HN -0.028 nan 8.370 nan 0.000 0.518 149 N N 0.929 119.643 118.700 0.023 0.000 3.303 149 N HA 0.056 4.794 4.740 -0.002 0.000 0.304 149 N C 0.429 175.952 175.510 0.023 0.000 1.302 149 N CA 0.095 53.157 53.050 0.018 0.000 1.213 149 N CB 0.010 38.508 38.487 0.019 0.000 1.481 149 N HN -0.012 nan 8.380 nan 0.000 0.546 150 K N -0.113 120.298 120.400 0.018 0.000 2.400 150 K HA 0.109 4.428 4.320 -0.002 0.000 0.194 150 K C 0.605 177.193 176.600 -0.019 0.000 1.033 150 K CA 0.570 56.873 56.287 0.026 0.000 1.021 150 K CB 0.534 33.056 32.500 0.036 0.000 0.808 150 K HN 0.393 nan 8.250 nan 0.000 0.505 151 E N 0.666 120.834 120.200 -0.053 0.000 2.479 151 E HA 0.110 4.459 4.350 -0.002 0.000 0.193 151 E C -0.292 176.254 176.600 -0.090 0.000 1.049 151 E CA -0.025 56.299 56.400 -0.126 0.000 0.870 151 E CB 0.189 29.825 29.700 -0.108 0.000 0.944 151 E HN 0.135 nan 8.360 nan 0.000 0.492 152 L N 1.595 122.799 121.223 -0.031 0.000 3.597 152 L HA -0.227 4.112 4.340 -0.002 0.000 0.440 152 L C -0.322 176.536 176.870 -0.020 0.000 1.277 152 L CA 0.301 55.138 54.840 -0.005 0.000 0.852 152 L CB -1.138 40.942 42.059 0.035 0.000 1.708 152 L HN 0.109 nan 8.230 nan 0.000 0.885 153 K N 0.815 121.204 120.400 -0.018 0.000 2.436 153 K HA 0.573 4.892 4.320 -0.002 0.000 0.275 153 K C 0.492 177.091 176.600 -0.003 0.000 0.999 153 K CA 0.813 57.096 56.287 -0.008 0.000 0.980 153 K CB 1.100 33.604 32.500 0.006 0.000 0.919 153 K HN 0.393 nan 8.250 nan 0.000 0.484 154 A N 2.108 124.927 122.820 -0.003 0.000 2.530 154 A HA 0.839 5.157 4.320 -0.002 0.000 0.288 154 A C -1.234 176.380 177.584 0.049 0.000 1.172 154 A CA -0.837 51.168 52.037 -0.053 0.000 0.733 154 A CB 1.062 19.982 19.000 -0.134 0.000 1.320 154 A HN 0.592 nan 8.150 nan 0.000 0.419 155 F N -0.679 119.225 119.950 -0.077 0.000 2.626 155 F HA 0.741 5.266 4.527 -0.003 0.000 0.311 155 F C -0.856 174.887 175.800 -0.095 0.000 1.088 155 F CA -1.247 56.706 58.000 -0.078 0.000 0.949 155 F CB 1.263 40.218 39.000 -0.076 0.000 1.322 155 F HN 0.359 nan 8.300 nan 0.000 0.461 156 N N 1.809 120.566 118.700 0.095 0.000 2.456 156 N HA 0.596 5.335 4.740 -0.002 0.000 0.296 156 N C -1.115 174.443 175.510 0.080 0.000 1.102 156 N CA -0.363 52.685 53.050 -0.003 0.000 0.924 156 N CB 2.189 40.679 38.487 0.005 0.000 1.186 156 N HN 0.649 nan 8.380 nan 0.000 0.492 157 I N 1.376 121.921 120.570 -0.041 0.000 2.433 157 I HA 0.349 4.518 4.170 -0.002 0.000 0.292 157 I C 0.488 176.545 176.117 -0.101 0.000 1.001 157 I CA -0.807 60.391 61.300 -0.169 0.000 1.119 157 I CB 1.838 39.460 38.000 -0.628 0.000 1.289 157 I HN 0.147 nan 8.210 nan 0.000 0.438 158 R N 5.159 125.615 120.500 -0.074 0.000 2.522 158 R HA 0.310 4.648 4.340 -0.002 0.000 0.284 158 R C -0.757 175.593 176.300 0.083 0.000 1.032 158 R CA -0.001 56.102 56.100 0.005 0.000 1.049 158 R CB 0.503 30.801 30.300 -0.003 0.000 0.956 158 R HN 0.475 nan 8.270 nan 0.000 0.422 159 L N 3.727 125.015 121.223 0.109 0.000 2.318 159 L HA 0.159 4.497 4.340 -0.002 0.000 0.277 159 L C 0.829 177.718 176.870 0.032 0.000 1.008 159 L CA -0.199 54.704 54.840 0.105 0.000 0.846 159 L CB 1.345 43.444 42.059 0.066 0.000 1.220 159 L HN 0.779 nan 8.230 nan 0.000 0.423 160 E N 1.888 122.105 120.200 0.029 0.000 2.204 160 E HA -0.173 4.175 4.350 -0.002 0.000 0.195 160 E C -0.280 176.315 176.600 -0.008 0.000 0.990 160 E CA 0.923 57.336 56.400 0.021 0.000 0.821 160 E CB 0.282 30.004 29.700 0.036 0.000 0.750 160 E HN 0.581 nan 8.360 nan 0.000 0.477 161 E N 0.698 120.859 120.200 -0.065 0.000 2.070 161 E HA 0.048 4.397 4.350 -0.002 0.000 0.282 161 E C 0.536 177.140 176.600 0.007 0.000 1.104 161 E CA 0.016 56.347 56.400 -0.115 0.000 0.876 161 E CB 0.641 30.137 29.700 -0.339 0.000 1.055 161 E HN 0.131 nan 8.360 nan 0.000 0.401 162 L N 1.548 122.824 121.223 0.088 0.000 2.446 162 L HA 0.045 4.383 4.340 -0.002 0.000 0.219 162 L C 0.809 177.778 176.870 0.164 0.000 1.116 162 L CA 0.488 55.390 54.840 0.103 0.000 0.844 162 L CB 0.025 42.138 42.059 0.090 0.000 0.970 162 L HN 0.592 nan 8.230 nan 0.000 0.457 163 H N 0.433 119.580 119.070 0.128 0.000 2.439 163 H HA 0.357 4.912 4.556 -0.002 0.000 0.239 163 H C -0.949 174.493 175.328 0.190 0.000 1.432 163 H CA -0.636 55.497 56.048 0.141 0.000 1.373 163 H CB 0.612 30.459 29.762 0.142 0.000 1.463 163 H HN -0.176 nan 8.280 nan 0.000 0.530 164 V N 5.717 125.831 119.914 0.332 0.000 2.488 164 V HA -0.035 4.083 4.120 -0.002 0.000 0.277 164 V C 0.994 177.243 176.094 0.259 0.000 1.046 164 V CA -0.191 62.272 62.300 0.272 0.000 0.986 164 V CB 0.929 32.803 31.823 0.086 0.000 0.989 164 V HN 0.760 nan 8.190 nan 0.000 0.475 165 I N 2.322 123.021 120.570 0.214 0.000 2.364 165 I HA 0.182 4.351 4.170 -0.002 0.000 0.241 165 I C 0.718 176.911 176.117 0.127 0.000 1.082 165 I CA 1.202 62.588 61.300 0.144 0.000 1.401 165 I CB -0.260 37.775 38.000 0.058 0.000 1.126 165 I HN 0.643 nan 8.210 nan 0.000 0.429 166 D N -0.597 119.882 120.400 0.130 0.000 2.661 166 D HA 0.563 5.201 4.640 -0.002 0.000 0.228 166 D C -1.219 175.162 176.300 0.135 0.000 1.183 166 D CA -0.217 53.853 54.000 0.117 0.000 0.844 166 D CB 2.758 43.617 40.800 0.098 0.000 1.555 166 D HN -0.187 nan 8.370 nan 0.000 0.453 167 V N 1.906 121.881 119.914 0.102 0.000 2.841 167 V HA 0.676 4.795 4.120 -0.002 0.000 0.310 167 V C -0.462 175.647 176.094 0.025 0.000 1.090 167 V CA -0.908 61.431 62.300 0.065 0.000 0.930 167 V CB 2.028 33.853 31.823 0.003 0.000 1.014 167 V HN 0.403 nan 8.190 nan 0.000 0.425 168 K N 2.031 122.421 120.400 -0.018 0.000 2.477 168 K HA 0.602 4.920 4.320 -0.002 0.000 0.255 168 K C -1.316 175.224 176.600 -0.100 0.000 0.952 168 K CA -0.548 55.732 56.287 -0.012 0.000 0.826 168 K CB 2.788 35.335 32.500 0.080 0.000 1.331 168 K HN 0.558 nan 8.250 nan 0.000 0.437 169 F N 2.102 122.056 119.950 0.007 0.000 2.467 169 F HA 0.208 4.733 4.527 -0.002 0.000 0.362 169 F C 1.062 176.798 175.800 -0.106 0.000 1.090 169 F CA -0.519 57.447 58.000 -0.058 0.000 1.202 169 F CB 0.495 39.445 39.000 -0.082 0.000 1.113 169 F HN 0.110 nan 8.300 nan 0.000 0.541 170 L N 3.756 125.040 121.223 0.102 0.000 2.453 170 L HA 0.193 4.532 4.340 -0.002 0.000 0.261 170 L C -0.579 176.295 176.870 0.007 0.000 1.179 170 L CA -0.575 54.308 54.840 0.071 0.000 0.813 170 L CB 0.374 42.433 42.059 -0.000 0.000 1.110 170 L HN 0.470 nan 8.230 nan 0.000 0.466 171 Y N -0.617 119.770 120.300 0.145 0.000 2.376 171 Y HA 0.443 4.991 4.550 -0.002 0.000 0.325 171 Y C 1.044 177.023 175.900 0.131 0.000 1.199 171 Y CA 0.083 58.263 58.100 0.132 0.000 1.206 171 Y CB 1.591 40.139 38.460 0.147 0.000 1.229 171 Y HN 0.732 nan 8.280 nan 0.000 0.480 172 G N 0.665 109.622 108.800 0.261 0.000 2.225 172 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.264 172 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.264 172 G C -0.713 174.275 174.900 0.147 0.000 1.060 172 G CA -0.208 45.010 45.100 0.196 0.000 0.833 172 G HN 0.670 nan 8.290 nan 0.000 0.498 173 C N -0.827 118.536 119.300 0.104 0.000 2.561 173 C HA 0.529 4.987 4.460 -0.002 0.000 0.319 173 C C 1.686 176.709 174.990 0.054 0.000 1.198 173 C CA -0.535 58.525 59.018 0.071 0.000 1.665 173 C CB 1.875 29.639 27.740 0.040 0.000 2.258 173 C HN 0.655 nan 8.230 nan 0.000 0.493 174 Q N 0.793 120.624 119.800 0.050 0.000 2.167 174 Q HA 0.041 4.380 4.340 -0.002 0.000 0.202 174 Q C 0.669 176.690 176.000 0.034 0.000 0.970 174 Q CA 1.282 57.111 55.803 0.043 0.000 0.855 174 Q CB 0.140 28.905 28.738 0.044 0.000 0.911 174 Q HN 0.851 nan 8.270 nan 0.000 0.438 175 A N 0.422 123.264 122.820 0.037 0.000 2.469 175 A HA 0.561 4.879 4.320 -0.002 0.000 0.299 175 A C -2.665 174.945 177.584 0.043 0.000 1.098 175 A CA -1.810 50.250 52.037 0.038 0.000 0.737 175 A CB 0.913 19.947 19.000 0.057 0.000 1.312 175 A HN -0.166 nan 8.150 nan 0.000 0.414 176 P HA 0.183 nan 4.420 nan 0.000 0.261 176 P C -0.577 176.862 177.300 0.231 0.000 1.173 176 P CA 0.925 64.055 63.100 0.049 0.000 0.760 176 P CB 0.426 32.104 31.700 -0.037 0.000 0.783 177 T N 4.283 119.010 114.554 0.288 0.000 2.937 177 T HA 0.509 4.858 4.350 -0.002 0.000 0.297 177 T C 0.186 174.944 174.700 0.097 0.000 0.991 177 T CA -0.533 61.655 62.100 0.147 0.000 0.990 177 T CB 0.318 69.176 68.868 -0.017 0.000 0.991 177 T HN 0.244 nan 8.240 nan 0.000 0.440 178 I N -0.023 120.503 120.570 -0.073 0.000 2.440 178 I HA 0.788 4.957 4.170 -0.002 0.000 0.294 178 I C -0.074 175.917 176.117 -0.210 0.000 0.995 178 I CA -0.703 60.441 61.300 -0.262 0.000 1.306 178 I CB 1.019 38.715 38.000 -0.506 0.000 1.407 178 I HN 0.618 nan 8.210 nan 0.000 0.501 179 C N 7.955 127.149 119.300 -0.176 0.000 2.364 179 C HA 0.821 5.280 4.460 -0.002 0.000 0.324 179 C C -0.502 174.468 174.990 -0.034 0.000 1.234 179 C CA -0.603 58.293 59.018 -0.204 0.000 1.417 179 C CB 0.063 27.667 27.740 -0.228 0.000 2.101 179 C HN 0.807 nan 8.230 nan 0.000 0.466 180 F N 4.286 124.129 119.950 -0.178 0.000 2.599 180 F HA 0.835 5.361 4.527 -0.002 0.000 0.311 180 F C -1.193 174.592 175.800 -0.025 0.000 1.076 180 F CA -1.131 56.810 58.000 -0.098 0.000 0.937 180 F CB 0.942 39.875 39.000 -0.111 0.000 1.282 180 F HN 0.268 nan 8.300 nan 0.000 0.460 181 V N 3.237 123.227 119.914 0.127 0.000 2.472 181 V HA 0.489 4.608 4.120 -0.002 0.000 0.290 181 V C -0.860 175.390 176.094 0.259 0.000 1.037 181 V CA -0.613 61.705 62.300 0.030 0.000 0.908 181 V CB 1.162 32.959 31.823 -0.043 0.000 0.985 181 V HN 0.868 nan 8.190 nan 0.000 0.454 182 Y N 1.992 122.341 120.300 0.081 0.000 2.581 182 Y HA 0.773 5.322 4.550 -0.002 0.000 0.345 182 Y C -0.650 175.257 175.900 0.011 0.000 1.036 182 Y CA -1.246 56.940 58.100 0.142 0.000 1.042 182 Y CB 1.709 40.372 38.460 0.339 0.000 1.289 182 Y HN 0.552 nan 8.280 nan 0.000 0.471 183 Q N 2.236 122.050 119.800 0.023 0.000 2.337 183 Q HA 0.542 4.881 4.340 -0.002 0.000 0.266 183 Q C -1.818 174.244 176.000 0.103 0.000 1.023 183 Q CA -0.653 55.053 55.803 -0.161 0.000 0.829 183 Q CB 1.805 30.255 28.738 -0.480 0.000 1.306 183 Q HN 0.915 nan 8.270 nan 0.000 0.449 184 D N 2.027 122.486 120.400 0.098 0.000 2.752 184 D HA 0.381 5.020 4.640 -0.002 0.000 0.313 184 D C -2.291 174.077 176.300 0.114 0.000 1.225 184 D CA -1.480 52.632 54.000 0.188 0.000 0.976 184 D CB 0.328 41.313 40.800 0.308 0.000 1.443 184 D HN 0.229 nan 8.370 nan 0.000 0.515 185 P HA -0.086 nan 4.420 nan 0.000 0.221 185 P C 0.675 178.014 177.300 0.065 0.000 1.145 185 P CA 1.383 64.530 63.100 0.078 0.000 0.795 185 P CB 0.178 31.923 31.700 0.075 0.000 0.775 186 Q N -1.463 118.402 119.800 0.108 0.000 2.403 186 Q HA 0.339 4.677 4.340 -0.002 0.000 0.203 186 Q C 1.177 177.188 176.000 0.017 0.000 0.932 186 Q CA 0.655 56.520 55.803 0.104 0.000 0.945 186 Q CB 0.049 28.894 28.738 0.179 0.000 1.045 186 Q HN 0.214 nan 8.270 nan 0.000 0.511 187 G N -0.214 108.537 108.800 -0.082 0.000 2.341 187 G HA2 -0.129 3.830 3.960 -0.002 0.000 0.196 187 G HA3 -0.129 3.830 3.960 -0.002 0.000 0.196 187 G C -1.158 173.401 174.900 -0.568 0.000 1.231 187 G CA -1.032 43.905 45.100 -0.271 0.000 1.155 187 G HN 0.044 nan 8.290 nan 0.000 0.529 188 R N 0.575 120.643 120.500 -0.720 0.000 2.664 188 R HA 0.693 5.032 4.340 -0.002 0.000 0.286 188 R C -0.856 174.791 176.300 -1.088 0.000 0.967 188 R CA -0.809 54.816 56.100 -0.793 0.000 0.933 188 R CB 1.650 31.701 30.300 -0.416 0.000 1.146 188 R HN 0.729 nan 8.270 nan 0.000 0.468 189 H N -0.083 118.632 119.070 -0.592 0.000 3.012 189 H HA 0.281 4.836 4.556 -0.002 0.000 0.367 189 H C -1.183 173.825 175.328 -0.533 0.000 1.211 189 H CA -0.750 54.949 56.048 -0.582 0.000 1.139 189 H CB 2.230 31.546 29.762 -0.743 0.000 1.838 189 H HN 0.265 nan 8.280 nan 0.000 0.550 190 V N 1.577 121.336 119.914 -0.258 0.000 2.513 190 V HA 0.505 4.623 4.120 -0.002 0.000 0.299 190 V C -0.635 175.256 176.094 -0.339 0.000 1.035 190 V CA -0.297 61.811 62.300 -0.320 0.000 0.889 190 V CB 1.470 33.077 31.823 -0.361 0.000 0.988 190 V HN 0.626 nan 8.190 nan 0.000 0.440 191 K N 2.941 122.956 120.400 -0.642 0.000 2.512 191 K HA 0.614 4.933 4.320 -0.002 0.000 0.263 191 K C -0.993 175.089 176.600 -0.862 0.000 0.966 191 K CA -0.392 55.441 56.287 -0.756 0.000 0.851 191 K CB 2.525 34.448 32.500 -0.961 0.000 1.395 191 K HN 0.901 nan 8.250 nan 0.000 0.440 192 T N -1.161 112.993 114.554 -0.668 0.000 2.908 192 T HA 0.679 5.027 4.350 -0.002 0.000 0.290 192 T C -0.783 173.545 174.700 -0.620 0.000 1.034 192 T CA -0.600 61.150 62.100 -0.584 0.000 1.010 192 T CB 1.034 69.529 68.868 -0.622 0.000 1.068 192 T HN 0.451 nan 8.240 nan 0.000 0.481 193 Y N -0.455 119.687 120.300 -0.264 0.000 2.524 193 Y HA 0.446 4.994 4.550 -0.002 0.000 0.347 193 Y C 0.321 176.151 175.900 -0.117 0.000 1.005 193 Y CA -1.277 56.675 58.100 -0.247 0.000 1.025 193 Y CB 2.183 40.282 38.460 -0.602 0.000 1.275 193 Y HN 0.655 nan 8.280 nan 0.000 0.460 194 E N 1.718 122.031 120.200 0.189 0.000 2.301 194 E HA 0.364 4.712 4.350 -0.002 0.000 0.275 194 E C -1.175 175.612 176.600 0.312 0.000 1.030 194 E CA -0.590 55.922 56.400 0.186 0.000 0.852 194 E CB 1.805 31.584 29.700 0.131 0.000 1.060 194 E HN 0.232 nan 8.360 nan 0.000 0.401 195 V N 2.498 122.597 119.914 0.308 0.000 2.328 195 V HA 0.101 4.220 4.120 -0.002 0.000 0.278 195 V C 0.160 176.386 176.094 0.220 0.000 1.021 195 V CA -0.572 61.934 62.300 0.343 0.000 0.838 195 V CB 1.183 33.277 31.823 0.453 0.000 0.999 195 V HN 0.533 nan 8.190 nan 0.000 0.447 196 S N 4.730 120.528 115.700 0.164 0.000 2.416 196 S HA 0.417 4.886 4.470 -0.002 0.000 0.287 196 S C 0.966 175.622 174.600 0.093 0.000 1.139 196 S CA -0.573 57.685 58.200 0.097 0.000 1.058 196 S CB 0.438 63.666 63.200 0.047 0.000 0.967 196 S HN 0.636 nan 8.310 nan 0.000 0.495 197 L N 4.861 126.141 121.223 0.095 0.000 2.217 197 L HA 0.039 4.378 4.340 -0.002 0.000 0.211 197 L C 2.812 179.652 176.870 -0.051 0.000 1.107 197 L CA 0.591 55.480 54.840 0.082 0.000 0.783 197 L CB -0.209 41.904 42.059 0.089 0.000 0.919 197 L HN 0.559 nan 8.230 nan 0.000 0.442 198 R N 0.302 120.776 120.500 -0.043 0.000 2.057 198 R HA -0.081 4.258 4.340 -0.002 0.000 0.229 198 R C 1.986 178.215 176.300 -0.119 0.000 1.136 198 R CA 1.247 57.304 56.100 -0.072 0.000 0.952 198 R CB -0.306 29.971 30.300 -0.037 0.000 0.848 198 R HN 0.439 nan 8.270 nan 0.000 0.430 199 E N 0.709 120.849 120.200 -0.101 0.000 2.358 199 E HA -0.050 4.299 4.350 -0.002 0.000 0.195 199 E C -0.180 176.293 176.600 -0.212 0.000 1.010 199 E CA 0.063 56.391 56.400 -0.120 0.000 0.856 199 E CB 0.095 29.755 29.700 -0.067 0.000 0.795 199 E HN 0.164 nan 8.360 nan 0.000 0.504 200 K N 1.026 121.236 120.400 -0.316 0.000 3.257 200 K HA -0.218 4.101 4.320 -0.002 0.000 0.270 200 K C -0.515 175.956 176.600 -0.214 0.000 0.984 200 K CA 0.491 56.439 56.287 -0.565 0.000 0.739 200 K CB -0.910 30.977 32.500 -1.023 0.000 1.351 200 K HN 0.080 nan 8.250 nan 0.000 0.463 201 E N -0.864 119.264 120.200 -0.119 0.000 2.445 201 E HA 0.517 4.866 4.350 -0.002 0.000 0.279 201 E C -1.059 175.445 176.600 -0.161 0.000 1.018 201 E CA -0.732 55.566 56.400 -0.170 0.000 0.816 201 E CB 1.028 30.668 29.700 -0.100 0.000 1.356 201 E HN 0.118 nan 8.360 nan 0.000 0.462 202 F N 1.510 121.405 119.950 -0.092 0.000 2.384 202 F HA 0.453 4.979 4.527 -0.002 0.000 0.338 202 F C 0.855 176.620 175.800 -0.058 0.000 1.103 202 F CA -0.517 57.390 58.000 -0.155 0.000 1.157 202 F CB 0.917 39.575 39.000 -0.571 0.000 1.167 202 F HN 0.189 nan 8.300 nan 0.000 0.529 203 N N 1.475 120.323 118.700 0.246 0.000 2.471 203 N HA 0.195 4.934 4.740 -0.002 0.000 0.288 203 N C -0.898 174.743 175.510 0.219 0.000 1.220 203 N CA -0.927 52.229 53.050 0.177 0.000 0.893 203 N CB 1.442 40.001 38.487 0.120 0.000 1.256 203 N HN 0.482 nan 8.380 nan 0.000 0.534 204 K N 0.390 120.883 120.400 0.154 0.000 2.472 204 K HA 0.093 4.411 4.320 -0.002 0.000 0.280 204 K C 0.516 177.155 176.600 0.065 0.000 1.028 204 K CA -0.052 56.307 56.287 0.120 0.000 1.045 204 K CB 0.056 32.599 32.500 0.073 0.000 0.902 204 K HN 0.616 nan 8.250 nan 0.000 0.478 205 G N 4.059 112.855 108.800 -0.007 0.000 2.606 205 G HA2 0.093 4.051 3.960 -0.002 0.000 0.252 205 G HA3 0.093 4.051 3.960 -0.002 0.000 0.252 205 G C -1.421 173.423 174.900 -0.093 0.000 1.206 205 G CA -1.125 43.910 45.100 -0.108 0.000 0.861 205 G HN 0.545 nan 8.290 nan 0.000 0.561 206 P HA 0.005 nan 4.420 nan 0.000 0.223 206 P C -0.336 177.068 177.300 0.174 0.000 1.151 206 P CA 0.960 64.038 63.100 -0.037 0.000 0.787 206 P CB 0.278 31.906 31.700 -0.121 0.000 0.788 207 W N 0.862 122.129 121.300 -0.054 0.000 2.706 207 W HA 0.417 5.075 4.660 -0.002 0.000 0.346 207 W C 0.406 176.871 176.519 -0.090 0.000 1.071 207 W CA -1.648 55.658 57.345 -0.064 0.000 1.206 207 W CB 0.383 29.799 29.460 -0.074 0.000 1.413 207 W HN -0.303 nan 8.180 nan 0.000 0.542 208 K N 1.315 121.812 120.400 0.162 0.000 2.319 208 K HA 0.065 4.384 4.320 -0.002 0.000 0.265 208 K C 0.374 176.991 176.600 0.030 0.000 1.000 208 K CA -0.349 55.968 56.287 0.050 0.000 0.943 208 K CB 0.636 33.147 32.500 0.018 0.000 0.950 208 K HN 0.474 nan 8.250 nan 0.000 0.485 209 Q N 1.599 121.377 119.800 -0.036 0.000 2.327 209 Q HA 0.109 4.447 4.340 -0.002 0.000 0.254 209 Q C -0.915 175.056 176.000 -0.049 0.000 0.952 209 Q CA 0.150 55.913 55.803 -0.066 0.000 0.884 209 Q CB 0.994 29.674 28.738 -0.096 0.000 1.224 209 Q HN 0.416 nan 8.270 nan 0.000 0.422 210 E N 2.083 122.251 120.200 -0.053 0.000 2.277 210 E HA 0.331 4.679 4.350 -0.002 0.000 0.266 210 E C -1.054 175.532 176.600 -0.023 0.000 0.901 210 E CA -1.214 55.162 56.400 -0.040 0.000 0.782 210 E CB 1.354 31.048 29.700 -0.009 0.000 1.228 210 E HN 0.621 nan 8.360 nan 0.000 0.424 211 N N 1.162 119.862 118.700 0.000 0.000 2.520 211 N HA 0.186 4.925 4.740 -0.002 0.000 0.273 211 N C -0.387 175.090 175.510 -0.055 0.000 1.155 211 N CA -0.067 52.985 53.050 0.003 0.000 0.967 211 N CB 1.159 39.651 38.487 0.009 0.000 1.092 211 N HN 0.260 nan 8.380 nan 0.000 0.457 212 V N -1.336 118.499 119.914 -0.131 0.000 3.158 212 V HA 0.506 4.624 4.120 -0.002 0.000 0.315 212 V C 0.459 176.482 176.094 -0.117 0.000 1.148 212 V CA -1.149 61.098 62.300 -0.089 0.000 1.042 212 V CB 1.455 33.212 31.823 -0.109 0.000 1.101 212 V HN 0.606 nan 8.190 nan 0.000 0.448 213 E N 0.367 120.525 120.200 -0.071 0.000 2.467 213 E HA 0.128 4.477 4.350 -0.002 0.000 0.264 213 E C 1.364 177.896 176.600 -0.113 0.000 1.020 213 E CA 0.491 56.846 56.400 -0.075 0.000 0.945 213 E CB 1.444 31.116 29.700 -0.047 0.000 0.942 213 E HN 0.996 nan 8.360 nan 0.000 0.449 214 A N 4.775 127.533 122.820 -0.103 0.000 2.032 214 A HA -0.175 4.144 4.320 -0.002 0.000 0.221 214 A C 1.193 178.716 177.584 -0.103 0.000 1.165 214 A CA 1.455 53.424 52.037 -0.113 0.000 0.645 214 A CB -0.047 18.905 19.000 -0.080 0.000 0.807 214 A HN 0.627 nan 8.150 nan 0.000 0.453 215 E N -0.658 119.495 120.200 -0.079 0.000 2.651 215 E HA 0.369 4.717 4.350 -0.002 0.000 0.208 215 E C 0.081 176.645 176.600 -0.059 0.000 0.997 215 E CA 0.246 56.609 56.400 -0.062 0.000 1.020 215 E CB -0.035 29.640 29.700 -0.042 0.000 1.052 215 E HN 0.495 nan 8.360 nan 0.000 0.465 216 A N 1.559 124.333 122.820 -0.076 0.000 2.545 216 A HA 0.137 4.456 4.320 -0.002 0.000 0.253 216 A C 1.262 178.815 177.584 -0.053 0.000 1.074 216 A CA 0.775 52.772 52.037 -0.068 0.000 0.760 216 A CB 0.072 19.017 19.000 -0.092 0.000 1.005 216 A HN 0.200 nan 8.150 nan 0.000 0.506 217 S N 1.563 117.248 115.700 -0.025 0.000 2.679 217 S HA 0.427 4.895 4.470 -0.002 0.000 0.258 217 S C 0.231 174.851 174.600 0.033 0.000 1.068 217 S CA -0.153 58.050 58.200 0.005 0.000 1.115 217 S CB 0.018 63.227 63.200 0.014 0.000 1.078 217 S HN 0.623 nan 8.310 nan 0.000 0.603 218 M N 1.865 121.477 119.600 0.019 0.000 2.378 218 M HA 0.536 5.014 4.480 -0.002 0.000 0.289 218 M C -1.882 174.401 176.300 -0.028 0.000 1.136 218 M CA -0.500 54.825 55.300 0.041 0.000 0.917 218 M CB 2.869 35.528 32.600 0.098 0.000 1.669 218 M HN -0.075 nan 8.290 nan 0.000 0.461 219 V N 4.185 124.092 119.914 -0.011 0.000 2.448 219 V HA 0.558 4.677 4.120 -0.002 0.000 0.295 219 V C -0.582 175.454 176.094 -0.096 0.000 1.025 219 V CA -0.533 61.741 62.300 -0.043 0.000 0.859 219 V CB 1.892 33.720 31.823 0.009 0.000 0.988 219 V HN 0.687 nan 8.190 nan 0.000 0.431 220 I N 3.966 124.434 120.570 -0.169 0.000 2.362 220 I HA 0.599 4.768 4.170 -0.002 0.000 0.289 220 I C 0.531 176.667 176.117 0.032 0.000 0.994 220 I CA -0.539 60.658 61.300 -0.172 0.000 1.158 220 I CB 1.794 39.518 38.000 -0.460 0.000 1.315 220 I HN 0.658 nan 8.210 nan 0.000 0.451 221 A N 7.081 130.010 122.820 0.183 0.000 2.376 221 A HA 0.476 4.795 4.320 -0.002 0.000 0.298 221 A C -0.049 177.788 177.584 0.422 0.000 1.271 221 A CA -0.365 51.864 52.037 0.320 0.000 0.926 221 A CB -0.072 19.144 19.000 0.359 0.000 1.141 221 A HN 0.501 nan 8.150 nan 0.000 0.539 222 V N 6.664 126.788 119.914 0.349 0.000 2.521 222 V HA 0.155 4.273 4.120 -0.002 0.000 0.286 222 V C -1.493 174.673 176.094 0.119 0.000 1.034 222 V CA -0.982 61.506 62.300 0.314 0.000 1.045 222 V CB 0.600 32.668 31.823 0.408 0.000 0.974 222 V HN 0.808 nan 8.190 nan 0.000 0.480 223 P HA 0.130 nan 4.420 nan 0.000 0.275 223 P C -0.136 177.011 177.300 -0.255 0.000 1.270 223 P CA -0.440 62.176 63.100 -0.807 0.000 0.791 223 P CB 0.762 32.042 31.700 -0.699 0.000 1.089 224 E N 0.557 120.634 120.200 -0.206 0.000 2.390 224 E HA 0.056 4.405 4.350 -0.002 0.000 0.261 224 E C -1.246 175.263 176.600 -0.152 0.000 1.076 224 E CA -1.167 55.204 56.400 -0.048 0.000 0.905 224 E CB 0.123 29.841 29.700 0.031 0.000 0.984 224 E HN 0.406 nan 8.360 nan 0.000 0.427 225 P HA -0.021 nan 4.420 nan 0.000 0.239 225 P C 0.653 178.004 177.300 0.085 0.000 1.188 225 P CA 0.899 63.946 63.100 -0.088 0.000 0.794 225 P CB 0.279 31.890 31.700 -0.148 0.000 0.937 226 F N 0.747 120.740 119.950 0.070 0.000 2.206 226 F HA 0.079 4.605 4.527 -0.002 0.000 0.298 226 F C 1.962 177.891 175.800 0.215 0.000 1.090 226 F CA 0.445 58.517 58.000 0.119 0.000 1.323 226 F CB -0.879 38.168 39.000 0.079 0.000 1.028 226 F HN 0.057 nan 8.300 nan 0.000 0.492 227 G N 0.440 109.473 108.800 0.389 0.000 2.598 227 G HA2 0.051 4.009 3.960 -0.002 0.000 0.269 227 G HA3 0.051 4.009 3.960 -0.002 0.000 0.269 227 G C 0.377 175.549 174.900 0.453 0.000 1.289 227 G CA -0.190 45.146 45.100 0.394 0.000 0.926 227 G HN 1.253 nan 8.290 nan 0.000 0.567 228 G N -2.092 106.970 108.800 0.436 0.000 2.725 228 G HA2 0.476 4.434 3.960 -0.002 0.000 0.220 228 G HA3 0.476 4.434 3.960 -0.002 0.000 0.220 228 G C 0.074 175.141 174.900 0.278 0.000 1.357 228 G CA 1.071 46.344 45.100 0.290 0.000 0.866 228 G HN 2.885 nan 8.290 nan 0.000 0.548 229 A N -1.017 121.829 122.820 0.043 0.000 2.449 229 A HA 0.818 5.137 4.320 -0.002 0.000 0.302 229 A C -0.445 177.109 177.584 -0.050 0.000 1.048 229 A CA -0.420 51.674 52.037 0.094 0.000 0.708 229 A CB 1.349 20.484 19.000 0.225 0.000 1.274 229 A HN 1.307 nan 8.150 nan 0.000 0.410 230 I N 1.833 122.395 120.570 -0.013 0.000 2.359 230 I HA 0.365 4.534 4.170 -0.002 0.000 0.294 230 I C -1.034 175.049 176.117 -0.056 0.000 0.987 230 I CA -0.479 60.803 61.300 -0.029 0.000 1.225 230 I CB 1.585 39.507 38.000 -0.130 0.000 1.366 230 I HN 0.435 nan 8.210 nan 0.000 0.466 231 I N 7.595 128.167 120.570 0.004 0.000 2.362 231 I HA 0.352 4.520 4.170 -0.002 0.000 0.289 231 I C -0.207 175.885 176.117 -0.041 0.000 0.994 231 I CA -0.167 61.117 61.300 -0.027 0.000 1.158 231 I CB 1.258 39.247 38.000 -0.018 0.000 1.315 231 I HN 0.314 nan 8.210 nan 0.000 0.451 232 I N 5.936 126.466 120.570 -0.067 0.000 2.315 232 I HA 0.554 4.723 4.170 -0.002 0.000 0.291 232 I C 0.890 176.978 176.117 -0.048 0.000 1.006 232 I CA 0.069 61.330 61.300 -0.065 0.000 1.265 232 I CB 1.054 39.013 38.000 -0.068 0.000 1.387 232 I HN 0.703 nan 8.210 nan 0.000 0.475 233 G N 3.614 112.383 108.800 -0.052 0.000 2.890 233 G HA2 0.297 4.255 3.960 -0.002 0.000 0.189 233 G HA3 0.297 4.255 3.960 -0.002 0.000 0.189 233 G C 0.198 175.065 174.900 -0.055 0.000 1.342 233 G CA -0.142 44.929 45.100 -0.049 0.000 1.026 233 G HN 0.566 nan 8.290 nan 0.000 0.579 234 Q N -1.124 118.645 119.800 -0.050 0.000 2.349 234 Q HA 0.078 4.417 4.340 -0.002 0.000 0.209 234 Q C 1.952 177.918 176.000 -0.057 0.000 0.920 234 Q CA 0.551 56.324 55.803 -0.051 0.000 0.901 234 Q CB 0.458 29.174 28.738 -0.037 0.000 1.021 234 Q HN 0.514 nan 8.270 nan 0.000 0.519 235 E N 0.168 120.337 120.200 -0.051 0.000 2.340 235 E HA 0.054 4.402 4.350 -0.002 0.000 0.198 235 E C 0.583 177.148 176.600 -0.060 0.000 0.961 235 E CA 0.406 56.776 56.400 -0.049 0.000 0.905 235 E CB 0.930 30.609 29.700 -0.035 0.000 0.884 235 E HN 0.124 nan 8.360 nan 0.000 0.491 236 S N 0.149 115.812 115.700 -0.061 0.000 2.588 236 S HA 0.678 5.147 4.470 -0.002 0.000 0.275 236 S C -0.572 173.985 174.600 -0.072 0.000 1.130 236 S CA -0.889 57.274 58.200 -0.062 0.000 0.855 236 S CB 1.797 64.975 63.200 -0.038 0.000 1.116 236 S HN 0.033 nan 8.310 nan 0.000 0.472 237 I N 2.132 122.651 120.570 -0.085 0.000 2.436 237 I HA 0.522 4.690 4.170 -0.002 0.000 0.289 237 I C -0.294 175.762 176.117 -0.102 0.000 1.010 237 I CA -0.448 60.800 61.300 -0.088 0.000 1.098 237 I CB 2.416 40.354 38.000 -0.104 0.000 1.266 237 I HN 0.959 nan 8.210 nan 0.000 0.434 238 T N 2.081 116.588 114.554 -0.077 0.000 2.893 238 T HA 0.507 4.856 4.350 -0.002 0.000 0.291 238 T C -1.096 173.532 174.700 -0.119 0.000 1.028 238 T CA -0.747 61.249 62.100 -0.174 0.000 0.995 238 T CB 1.899 70.709 68.868 -0.096 0.000 1.051 238 T HN 0.380 nan 8.240 nan 0.000 0.470 239 Y N 2.219 122.255 120.300 -0.440 0.000 2.360 239 Y HA 0.530 5.079 4.550 -0.003 0.000 0.337 239 Y C -0.331 175.283 175.900 -0.478 0.000 1.039 239 Y CA -0.721 57.190 58.100 -0.315 0.000 1.109 239 Y CB 1.136 39.421 38.460 -0.293 0.000 1.201 239 Y HN 0.777 nan 8.280 nan 0.000 0.458 240 H N 5.489 124.042 119.070 -0.863 0.000 2.589 240 H HA 0.306 4.860 4.556 -0.002 0.000 0.351 240 H C -1.128 173.382 175.328 -1.363 0.000 1.074 240 H CA -0.941 54.617 56.048 -0.818 0.000 1.203 240 H CB 1.983 31.423 29.762 -0.537 0.000 1.558 240 H HN 0.780 nan 8.280 nan 0.000 0.522 241 N N 2.387 120.422 118.700 -1.109 0.000 2.976 241 N HA 0.194 4.932 4.740 -0.002 0.000 0.220 241 N C 0.482 175.477 175.510 -0.859 0.000 1.428 241 N CA 0.436 52.813 53.050 -1.122 0.000 0.748 241 N CB 0.479 38.750 38.487 -0.361 0.000 1.484 241 N HN 0.991 nan 8.380 nan 0.000 0.578 242 G N 2.306 110.275 108.800 -1.385 0.000 2.574 242 G HA2 -0.388 3.570 3.960 -0.002 0.000 0.301 242 G HA3 -0.388 3.570 3.960 -0.002 0.000 0.301 242 G C 0.468 175.196 174.900 -0.286 0.000 1.166 242 G CA 0.704 45.486 45.100 -0.531 0.000 0.971 242 G HN 0.531 nan 8.290 nan 0.000 0.542 243 D N 1.380 121.694 120.400 -0.143 0.000 2.269 243 D HA 0.036 4.674 4.640 -0.002 0.000 0.208 243 D C 1.448 177.698 176.300 -0.085 0.000 0.963 243 D CA 1.206 55.152 54.000 -0.090 0.000 0.864 243 D CB 0.019 40.792 40.800 -0.044 0.000 0.936 243 D HN 0.397 nan 8.370 nan 0.000 0.505 244 K N 0.170 120.507 120.400 -0.104 0.000 2.322 244 K HA 0.082 4.401 4.320 -0.002 0.000 0.283 244 K C -1.206 175.379 176.600 -0.025 0.000 1.042 244 K CA -0.173 56.086 56.287 -0.048 0.000 0.958 244 K CB 0.256 32.756 32.500 0.000 0.000 0.984 244 K HN -0.146 nan 8.250 nan 0.000 0.473 245 Y N 4.299 124.514 120.300 -0.143 0.000 2.441 245 Y HA 0.461 5.010 4.550 -0.002 0.000 0.334 245 Y C -2.011 173.805 175.900 -0.139 0.000 1.061 245 Y CA -0.918 57.059 58.100 -0.204 0.000 1.032 245 Y CB 1.158 39.474 38.460 -0.240 0.000 1.266 245 Y HN 0.496 nan 8.280 nan 0.000 0.441 246 L N 5.499 126.250 121.223 -0.786 0.000 2.408 246 L HA 0.965 5.303 4.340 -0.002 0.000 0.268 246 L C -0.996 175.352 176.870 -0.869 0.000 0.986 246 L CA -1.062 53.392 54.840 -0.643 0.000 0.820 246 L CB 2.200 44.057 42.059 -0.337 0.000 1.303 246 L HN 0.794 nan 8.230 nan 0.000 0.411 247 A N 4.180 126.645 122.820 -0.592 0.000 2.398 247 A HA 0.893 5.212 4.320 -0.002 0.000 0.301 247 A C -0.982 176.484 177.584 -0.196 0.000 1.041 247 A CA -0.456 51.350 52.037 -0.385 0.000 0.711 247 A CB 1.486 20.336 19.000 -0.250 0.000 1.240 247 A HN 0.695 nan 8.150 nan 0.000 0.420 248 I N -1.222 119.259 120.570 -0.149 0.000 2.785 248 I HA 0.915 5.084 4.170 -0.002 0.000 0.302 248 I C -0.099 175.969 176.117 -0.081 0.000 1.069 248 I CA -1.099 60.140 61.300 -0.102 0.000 1.045 248 I CB 2.660 40.602 38.000 -0.096 0.000 1.236 248 I HN 0.684 nan 8.210 nan 0.000 0.429 249 A N 4.241 127.023 122.820 -0.063 0.000 3.216 249 A HA 0.663 4.981 4.320 -0.002 0.000 0.321 249 A C -2.718 174.836 177.584 -0.050 0.000 1.042 249 A CA -1.158 50.845 52.037 -0.056 0.000 0.838 249 A CB -0.473 18.503 19.000 -0.040 0.000 1.136 249 A HN 0.587 nan 8.150 nan 0.000 0.483 250 P HA 0.291 nan 4.420 nan 0.000 0.271 250 P C -2.156 175.121 177.300 -0.037 0.000 1.226 250 P CA -1.136 61.938 63.100 -0.044 0.000 0.765 250 P CB 0.844 32.511 31.700 -0.055 0.000 0.835 251 P HA -0.175 nan 4.420 nan 0.000 0.216 251 P C 1.219 178.524 177.300 0.009 0.000 1.150 251 P CA 1.173 64.271 63.100 -0.004 0.000 0.837 251 P CB -0.321 31.383 31.700 0.006 0.000 0.786 252 I N -2.040 118.551 120.570 0.035 0.000 2.163 252 I HA -0.240 3.929 4.170 -0.002 0.000 0.243 252 I C 2.114 178.258 176.117 0.047 0.000 1.085 252 I CA 1.516 62.870 61.300 0.090 0.000 1.347 252 I CB -1.278 36.854 38.000 0.220 0.000 1.044 252 I HN -0.187 nan 8.210 nan 0.000 0.408 253 I N 0.902 121.425 120.570 -0.079 0.000 2.315 253 I HA -0.301 3.868 4.170 -0.002 0.000 0.251 253 I C 2.562 178.619 176.117 -0.100 0.000 1.125 253 I CA 1.627 62.802 61.300 -0.209 0.000 1.392 253 I CB -0.525 37.305 38.000 -0.284 0.000 1.065 253 I HN 0.215 nan 8.210 nan 0.000 0.424 254 K N 0.041 120.411 120.400 -0.051 0.000 2.211 254 K HA -0.204 4.115 4.320 -0.002 0.000 0.203 254 K C 2.003 178.597 176.600 -0.010 0.000 1.050 254 K CA 1.213 57.482 56.287 -0.030 0.000 0.945 254 K CB -0.004 32.485 32.500 -0.019 0.000 0.732 254 K HN 0.422 nan 8.250 nan 0.000 0.451 255 Q N -0.439 119.367 119.800 0.010 0.000 2.224 255 Q HA -0.024 4.314 4.340 -0.002 0.000 0.203 255 Q C 0.252 176.261 176.000 0.014 0.000 0.970 255 Q CA 0.600 56.416 55.803 0.021 0.000 0.865 255 Q CB 0.314 29.077 28.738 0.042 0.000 0.922 255 Q HN 0.015 nan 8.270 nan 0.000 0.445 256 S N -0.739 114.972 115.700 0.018 0.000 2.536 256 S HA 0.251 4.720 4.470 -0.002 0.000 0.271 256 S C -1.003 173.596 174.600 -0.001 0.000 1.134 256 S CA -0.787 57.419 58.200 0.010 0.000 0.897 256 S CB 1.792 65.020 63.200 0.047 0.000 1.094 256 S HN 0.006 nan 8.310 nan 0.000 0.473 257 T N 4.496 119.041 114.554 -0.016 0.000 2.799 257 T HA 0.310 4.658 4.350 -0.002 0.000 0.296 257 T C 0.378 175.081 174.700 0.005 0.000 0.947 257 T CA 0.076 62.166 62.100 -0.016 0.000 1.141 257 T CB -0.334 68.523 68.868 -0.019 0.000 0.891 257 T HN 0.503 nan 8.240 nan 0.000 0.533 258 I N 4.001 124.568 120.570 -0.006 0.000 2.533 258 I HA 0.050 4.218 4.170 -0.002 0.000 0.284 258 I C 1.338 177.482 176.117 0.044 0.000 1.109 258 I CA 0.002 61.315 61.300 0.022 0.000 1.412 258 I CB 0.869 38.855 38.000 -0.024 0.000 1.396 258 I HN 0.538 nan 8.210 nan 0.000 0.543 259 V N 3.083 123.037 119.914 0.067 0.000 3.502 259 V HA 0.249 4.368 4.120 -0.002 0.000 0.288 259 V C 0.246 176.383 176.094 0.073 0.000 1.461 259 V CA -0.160 62.179 62.300 0.065 0.000 1.029 259 V CB -0.286 31.568 31.823 0.052 0.000 0.843 259 V HN 0.866 nan 8.190 nan 0.000 0.438 260 C N 0.557 119.911 119.300 0.091 0.000 3.311 260 C HA 0.948 5.406 4.460 -0.002 0.000 0.325 260 C C -0.735 174.332 174.990 0.128 0.000 1.352 260 C CA -0.160 58.888 59.018 0.050 0.000 1.308 260 C CB 0.993 28.739 27.740 0.009 0.000 1.619 260 C HN 0.876 nan 8.230 nan 0.000 0.469 261 H N 0.158 119.293 119.070 0.110 0.000 2.985 261 H HA 0.838 5.392 4.556 -0.002 0.000 0.360 261 H C -1.254 174.184 175.328 0.183 0.000 1.221 261 H CA -0.557 55.579 56.048 0.146 0.000 1.121 261 H CB 1.328 31.165 29.762 0.125 0.000 1.854 261 H HN 1.015 nan 8.280 nan 0.000 0.551 262 N N 0.772 119.692 118.700 0.366 0.000 2.446 262 N HA 0.167 4.906 4.740 -0.002 0.000 0.272 262 N C -1.471 174.223 175.510 0.307 0.000 1.127 262 N CA -0.737 52.495 53.050 0.304 0.000 0.896 262 N CB 2.844 41.444 38.487 0.189 0.000 1.658 262 N HN 0.766 nan 8.380 nan 0.000 0.483 263 R N 2.825 123.445 120.500 0.200 0.000 2.267 263 R HA 0.269 4.608 4.340 -0.002 0.000 0.319 263 R C 0.673 176.878 176.300 -0.158 0.000 1.067 263 R CA -0.288 55.688 56.100 -0.206 0.000 0.936 263 R CB 0.906 31.106 30.300 -0.167 0.000 1.006 263 R HN 0.394 nan 8.270 nan 0.000 0.452 264 V N 2.816 122.549 119.914 -0.302 0.000 2.273 264 V HA -0.082 4.037 4.120 -0.002 0.000 0.242 264 V C 0.401 176.347 176.094 -0.246 0.000 1.035 264 V CA 1.385 63.494 62.300 -0.318 0.000 1.013 264 V CB -0.161 31.365 31.823 -0.495 0.000 0.652 264 V HN 0.752 nan 8.190 nan 0.000 0.452 265 D N -0.174 120.060 120.400 -0.276 0.000 2.177 265 D HA 0.265 4.903 4.640 -0.002 0.000 0.247 265 D C -1.775 174.432 176.300 -0.155 0.000 1.063 265 D CA -1.820 52.070 54.000 -0.184 0.000 0.867 265 D CB 1.534 42.224 40.800 -0.183 0.000 1.168 265 D HN 0.013 nan 8.370 nan 0.000 0.445 266 P HA -0.176 nan 4.420 nan 0.000 0.217 266 P C 0.888 178.120 177.300 -0.114 0.000 1.148 266 P CA 1.192 64.253 63.100 -0.065 0.000 0.834 266 P CB 0.156 31.840 31.700 -0.027 0.000 0.783 267 N N -2.005 116.614 118.700 -0.134 0.000 2.398 267 N HA 0.028 4.767 4.740 -0.002 0.000 0.188 267 N C 1.023 176.438 175.510 -0.158 0.000 1.122 267 N CA 0.834 53.783 53.050 -0.168 0.000 0.866 267 N CB -0.351 38.027 38.487 -0.182 0.000 0.970 267 N HN 0.099 nan 8.380 nan 0.000 0.462 268 G N 0.726 109.428 108.800 -0.163 0.000 2.198 268 G HA2 -0.298 3.660 3.960 -0.002 0.000 0.257 268 G HA3 -0.298 3.660 3.960 -0.002 0.000 0.257 268 G C 0.678 175.567 174.900 -0.018 0.000 1.042 268 G CA 0.494 45.515 45.100 -0.132 0.000 0.791 268 G HN 0.388 nan 8.290 nan 0.000 0.502 269 S N -0.770 114.875 115.700 -0.091 0.000 2.406 269 S HA 0.129 4.598 4.470 -0.002 0.000 0.228 269 S C 1.318 175.910 174.600 -0.013 0.000 1.020 269 S CA 1.057 59.246 58.200 -0.018 0.000 0.965 269 S CB 0.158 63.325 63.200 -0.055 0.000 0.798 269 S HN 0.697 nan 8.310 nan 0.000 0.488 270 R N -0.541 119.872 120.500 -0.144 0.000 2.673 270 R HA 0.556 4.895 4.340 -0.002 0.000 0.281 270 R C -1.932 174.207 176.300 -0.269 0.000 0.991 270 R CA -0.506 55.529 56.100 -0.108 0.000 0.896 270 R CB 1.613 31.827 30.300 -0.143 0.000 1.201 270 R HN 0.139 nan 8.270 nan 0.000 0.457 271 Y N 1.402 121.704 120.300 0.003 0.000 2.477 271 Y HA 0.404 4.952 4.550 -0.003 0.000 0.347 271 Y C -0.258 175.677 175.900 0.060 0.000 0.981 271 Y CA -0.859 57.267 58.100 0.044 0.000 1.033 271 Y CB 1.808 40.308 38.460 0.068 0.000 1.245 271 Y HN 0.243 nan 8.280 nan 0.000 0.455 272 L N 4.518 125.878 121.223 0.227 0.000 2.326 272 L HA 0.500 4.839 4.340 -0.002 0.000 0.278 272 L C -0.794 176.225 176.870 0.248 0.000 1.092 272 L CA -0.379 54.581 54.840 0.200 0.000 0.810 272 L CB 0.643 42.798 42.059 0.160 0.000 1.153 272 L HN 0.433 nan 8.230 nan 0.000 0.439 273 L N 2.478 123.850 121.223 0.248 0.000 2.365 273 L HA 0.738 5.077 4.340 -0.002 0.000 0.273 273 L C 0.109 177.149 176.870 0.284 0.000 1.000 273 L CA -0.582 54.408 54.840 0.250 0.000 0.819 273 L CB 2.034 44.210 42.059 0.194 0.000 1.284 273 L HN 0.638 nan 8.230 nan 0.000 0.418 274 G N 0.638 109.568 108.800 0.217 0.000 2.590 274 G HA2 0.566 4.525 3.960 -0.002 0.000 0.310 274 G HA3 0.566 4.525 3.960 -0.002 0.000 0.310 274 G C -1.471 173.532 174.900 0.171 0.000 1.347 274 G CA -0.279 44.935 45.100 0.190 0.000 0.963 274 G HN 0.621 nan 8.290 nan 0.000 0.494 275 D N 1.439 121.958 120.400 0.198 0.000 2.494 275 D HA 0.314 4.953 4.640 -0.002 0.000 0.259 275 D C 1.359 177.709 176.300 0.084 0.000 1.109 275 D CA -1.031 53.056 54.000 0.145 0.000 1.040 275 D CB 0.840 41.762 40.800 0.203 0.000 1.175 275 D HN 0.111 nan 8.370 nan 0.000 0.584 276 M N -0.437 119.186 119.600 0.038 0.000 2.476 276 M HA 0.005 4.484 4.480 -0.002 0.000 0.262 276 M C 0.736 177.025 176.300 -0.019 0.000 1.079 276 M CA 0.934 56.226 55.300 -0.014 0.000 1.104 276 M CB -0.691 31.849 32.600 -0.100 0.000 1.409 276 M HN 0.484 nan 8.290 nan 0.000 0.467 277 E N -0.425 119.783 120.200 0.014 0.000 2.444 277 E HA 0.231 4.580 4.350 -0.002 0.000 0.191 277 E C 1.167 177.790 176.600 0.037 0.000 1.041 277 E CA 0.255 56.668 56.400 0.021 0.000 0.883 277 E CB -0.061 29.652 29.700 0.022 0.000 1.024 277 E HN 0.577 nan 8.360 nan 0.000 0.470 278 G N 2.150 110.978 108.800 0.047 0.000 2.168 278 G HA2 -0.363 3.595 3.960 -0.002 0.000 0.263 278 G HA3 -0.363 3.595 3.960 -0.002 0.000 0.263 278 G C 0.422 175.328 174.900 0.010 0.000 0.977 278 G CA 0.386 45.507 45.100 0.035 0.000 0.659 278 G HN 0.233 nan 8.290 nan 0.000 0.533 279 R N -0.724 119.783 120.500 0.012 0.000 2.543 279 R HA 0.529 4.867 4.340 -0.002 0.000 0.277 279 R C 0.047 176.288 176.300 -0.099 0.000 1.074 279 R CA -0.346 55.691 56.100 -0.105 0.000 1.076 279 R CB 0.613 30.826 30.300 -0.145 0.000 0.993 279 R HN 0.244 nan 8.270 nan 0.000 0.459 280 L N 4.472 125.555 121.223 -0.233 0.000 2.305 280 L HA 0.477 4.815 4.340 -0.002 0.000 0.284 280 L C -1.484 175.238 176.870 -0.246 0.000 1.013 280 L CA -0.043 54.736 54.840 -0.101 0.000 0.819 280 L CB 0.748 42.789 42.059 -0.030 0.000 1.227 280 L HN 0.412 nan 8.230 nan 0.000 0.417 281 F N 4.441 124.421 119.950 0.051 0.000 2.523 281 F HA 0.658 5.184 4.527 -0.003 0.000 0.329 281 F C 0.087 175.913 175.800 0.043 0.000 1.061 281 F CA -0.721 57.305 58.000 0.044 0.000 0.967 281 F CB 1.800 40.824 39.000 0.039 0.000 1.218 281 F HN 0.377 nan 8.300 nan 0.000 0.480 282 M N 3.129 122.863 119.600 0.223 0.000 2.167 282 M HA 0.504 4.983 4.480 -0.002 0.000 0.333 282 M C -1.799 174.581 176.300 0.135 0.000 1.030 282 M CA -0.776 54.602 55.300 0.130 0.000 0.963 282 M CB 1.259 33.877 32.600 0.030 0.000 1.589 282 M HN 0.492 nan 8.290 nan 0.000 0.431 283 L N 6.473 127.781 121.223 0.140 0.000 2.275 283 L HA 0.728 5.067 4.340 -0.002 0.000 0.288 283 L C -1.964 174.975 176.870 0.116 0.000 1.046 283 L CA -0.094 54.813 54.840 0.112 0.000 0.805 283 L CB 0.866 42.989 42.059 0.107 0.000 1.193 283 L HN 0.776 nan 8.230 nan 0.000 0.426 284 L N 5.831 127.091 121.223 0.062 0.000 2.362 284 L HA 0.484 4.822 4.340 -0.002 0.000 0.275 284 L C -1.010 175.875 176.870 0.024 0.000 0.998 284 L CA -0.435 54.431 54.840 0.043 0.000 0.820 284 L CB 1.797 43.860 42.059 0.006 0.000 1.270 284 L HN 0.444 nan 8.230 nan 0.000 0.415 285 L N 3.391 124.640 121.223 0.043 0.000 2.272 285 L HA 0.318 4.656 4.340 -0.002 0.000 0.284 285 L C 0.047 176.914 176.870 -0.005 0.000 1.045 285 L CA -0.100 54.738 54.840 -0.002 0.000 0.842 285 L CB 0.625 42.721 42.059 0.062 0.000 1.224 285 L HN 0.501 nan 8.230 nan 0.000 0.430 286 E N 3.888 124.051 120.200 -0.061 0.000 2.166 286 E HA 0.139 4.488 4.350 -0.002 0.000 0.279 286 E C -0.480 176.089 176.600 -0.052 0.000 1.095 286 E CA -0.234 56.139 56.400 -0.047 0.000 0.888 286 E CB 0.560 30.222 29.700 -0.064 0.000 1.041 286 E HN 0.368 nan 8.360 nan 0.000 0.414 287 K N 2.942 123.357 120.400 0.025 0.000 2.218 287 K HA 0.221 4.540 4.320 -0.002 0.000 0.276 287 K C -0.088 176.522 176.600 0.017 0.000 1.022 287 K CA -0.248 56.083 56.287 0.073 0.000 0.946 287 K CB 1.147 33.761 32.500 0.189 0.000 1.000 287 K HN 0.469 nan 8.250 nan 0.000 0.468 288 E N 2.238 122.438 120.200 0.000 0.000 2.256 288 E HA 0.112 4.460 4.350 -0.002 0.000 0.268 288 E C -1.310 175.294 176.600 0.006 0.000 0.877 288 E CA -0.399 55.994 56.400 -0.012 0.000 0.757 288 E CB 1.753 31.427 29.700 -0.044 0.000 1.183 288 E HN 0.578 nan 8.360 nan 0.000 0.418 296 T N 1.670 116.235 114.554 0.019 0.000 2.923 296 T HA 0.845 5.193 4.350 -0.002 0.000 0.281 296 T C -0.522 173.983 174.700 -0.325 0.000 0.995 296 T CA -0.766 61.250 62.100 -0.141 0.000 0.985 296 T CB 2.066 70.854 68.868 -0.133 0.000 1.114 296 T HN 0.539 nan 8.240 nan 0.000 0.548 297 L N 1.369 122.222 121.223 -0.617 0.000 2.261 297 L HA 0.455 4.793 4.340 -0.002 0.000 0.289 297 L C 1.188 177.825 176.870 -0.388 0.000 1.059 297 L CA -0.112 54.323 54.840 -0.676 0.000 0.816 297 L CB 0.464 41.887 42.059 -1.059 0.000 1.191 297 L HN 0.881 nan 8.230 nan 0.000 0.431 298 K N 2.161 122.405 120.400 -0.259 0.000 2.005 298 K HA 0.035 4.353 4.320 -0.002 0.000 0.206 298 K C 0.083 176.573 176.600 -0.184 0.000 1.044 298 K CA 0.989 57.169 56.287 -0.178 0.000 0.942 298 K CB 0.286 32.716 32.500 -0.117 0.000 0.727 298 K HN 0.773 nan 8.250 nan 0.000 0.439 299 D N -2.058 118.232 120.400 -0.184 0.000 2.779 299 D HA 0.303 4.942 4.640 -0.002 0.000 0.331 299 D C -1.716 174.486 176.300 -0.164 0.000 1.331 299 D CA -0.549 53.346 54.000 -0.175 0.000 0.866 299 D CB 0.908 41.633 40.800 -0.126 0.000 1.409 299 D HN -0.022 nan 8.370 nan 0.000 0.486 300 L N 0.996 122.134 121.223 -0.142 0.000 2.334 300 L HA 0.653 4.992 4.340 -0.002 0.000 0.276 300 L C 0.128 176.954 176.870 -0.073 0.000 1.014 300 L CA -0.723 54.051 54.840 -0.109 0.000 0.815 300 L CB 1.909 43.897 42.059 -0.118 0.000 1.268 300 L HN 0.192 nan 8.230 nan 0.000 0.428 301 R N 1.578 122.051 120.500 -0.044 0.000 2.575 301 R HA 0.694 5.032 4.340 -0.002 0.000 0.293 301 R C -1.747 174.554 176.300 0.002 0.000 0.983 301 R CA -0.556 55.530 56.100 -0.023 0.000 0.887 301 R CB 2.310 32.599 30.300 -0.019 0.000 1.184 301 R HN 0.408 nan 8.270 nan 0.000 0.445 302 V N 4.077 123.999 119.914 0.014 0.000 2.459 302 V HA 0.417 4.535 4.120 -0.002 0.000 0.295 302 V C -0.587 175.574 176.094 0.113 0.000 1.029 302 V CA -0.660 61.676 62.300 0.060 0.000 0.874 302 V CB 1.804 33.635 31.823 0.013 0.000 0.985 302 V HN 0.708 nan 8.190 nan 0.000 0.438 303 E N 3.781 124.074 120.200 0.155 0.000 2.210 303 E HA 0.413 4.762 4.350 -0.002 0.000 0.266 303 E C -0.892 175.821 176.600 0.189 0.000 0.883 303 E CA -0.694 55.791 56.400 0.141 0.000 0.761 303 E CB 2.946 32.672 29.700 0.043 0.000 1.156 303 E HN 0.481 nan 8.360 nan 0.000 0.412 304 L N 4.226 125.523 121.223 0.124 0.000 2.367 304 L HA 0.164 4.502 4.340 -0.002 0.000 0.275 304 L C 0.737 177.588 176.870 -0.031 0.000 1.129 304 L CA 0.120 54.878 54.840 -0.138 0.000 0.839 304 L CB 0.482 42.444 42.059 -0.162 0.000 1.133 304 L HN 0.597 nan 8.230 nan 0.000 0.453 305 L N 4.543 125.717 121.223 -0.081 0.000 2.388 305 L HA 0.347 4.685 4.340 -0.002 0.000 0.209 305 L C 0.994 177.917 176.870 0.089 0.000 1.061 305 L CA 0.626 55.524 54.840 0.097 0.000 0.834 305 L CB 0.175 42.258 42.059 0.039 0.000 1.029 305 L HN 0.867 nan 8.230 nan 0.000 0.473 306 G N -0.427 108.331 108.800 -0.070 0.000 2.491 306 G HA2 0.058 4.016 3.960 -0.002 0.000 0.183 306 G HA3 0.058 4.016 3.960 -0.002 0.000 0.183 306 G C -1.703 173.129 174.900 -0.114 0.000 1.221 306 G CA -0.580 44.475 45.100 -0.075 0.000 0.996 306 G HN -0.052 nan 8.290 nan 0.000 0.474 307 E N -0.192 119.967 120.200 -0.069 0.000 2.292 307 E HA 0.628 4.977 4.350 -0.002 0.000 0.272 307 E C -0.307 176.274 176.600 -0.031 0.000 0.881 307 E CA -0.207 56.159 56.400 -0.057 0.000 0.754 307 E CB 2.150 31.823 29.700 -0.046 0.000 1.201 307 E HN 0.880 nan 8.360 nan 0.000 0.425 308 T N -0.388 114.153 114.554 -0.022 0.000 2.773 308 T HA 0.501 4.850 4.350 -0.002 0.000 0.278 308 T C 0.078 174.773 174.700 -0.008 0.000 1.011 308 T CA -0.762 61.327 62.100 -0.019 0.000 1.014 308 T CB 1.185 70.039 68.868 -0.023 0.000 1.293 308 T HN 0.240 nan 8.240 nan 0.000 0.554 309 S N 0.224 115.914 115.700 -0.017 0.000 2.566 309 S HA 0.237 4.706 4.470 -0.002 0.000 0.280 309 S C 0.556 175.160 174.600 0.007 0.000 1.343 309 S CA -0.533 57.663 58.200 -0.006 0.000 1.036 309 S CB -0.470 62.712 63.200 -0.028 0.000 0.866 309 S HN 0.553 nan 8.310 nan 0.000 0.526 310 I N 2.098 122.688 120.570 0.033 0.000 2.742 310 I HA 0.049 4.218 4.170 -0.002 0.000 0.287 310 I C 0.674 176.809 176.117 0.029 0.000 1.186 310 I CA -0.036 61.294 61.300 0.050 0.000 1.417 310 I CB -0.166 37.891 38.000 0.096 0.000 1.377 310 I HN 0.564 nan 8.210 nan 0.000 0.556 311 A N 6.672 129.507 122.820 0.026 0.000 2.260 311 A HA 0.271 4.590 4.320 -0.002 0.000 0.308 311 A C 1.026 178.624 177.584 0.023 0.000 1.254 311 A CA -0.534 51.508 52.037 0.008 0.000 0.874 311 A CB 0.770 19.774 19.000 0.006 0.000 1.153 311 A HN 0.759 nan 8.150 nan 0.000 0.527 312 E N 0.654 120.863 120.200 0.016 0.000 2.046 312 E HA -0.056 4.293 4.350 -0.002 0.000 0.190 312 E C 0.470 177.081 176.600 0.017 0.000 0.982 312 E CA 1.605 58.019 56.400 0.023 0.000 0.800 312 E CB -0.028 29.686 29.700 0.024 0.000 0.756 312 E HN 0.876 nan 8.360 nan 0.000 0.449 313 C N -0.671 118.640 119.300 0.018 0.000 2.994 313 C HA 0.771 5.230 4.460 -0.002 0.000 0.305 313 C C -0.918 174.093 174.990 0.035 0.000 1.251 313 C CA -1.434 57.601 59.018 0.028 0.000 1.478 313 C CB 0.952 28.725 27.740 0.055 0.000 1.922 313 C HN 0.065 nan 8.230 nan 0.000 0.472 314 L N 2.478 123.735 121.223 0.057 0.000 2.386 314 L HA 0.857 5.196 4.340 -0.002 0.000 0.271 314 L C 0.212 177.162 176.870 0.132 0.000 0.993 314 L CA 0.091 54.981 54.840 0.084 0.000 0.819 314 L CB 2.261 44.374 42.059 0.090 0.000 1.294 314 L HN 1.105 nan 8.230 nan 0.000 0.414 315 T N -0.219 114.440 114.554 0.176 0.000 2.965 315 T HA 0.336 4.685 4.350 -0.002 0.000 0.306 315 T C -0.592 174.215 174.700 0.179 0.000 0.991 315 T CA -0.606 61.598 62.100 0.173 0.000 1.001 315 T CB 0.565 69.520 68.868 0.144 0.000 0.984 315 T HN 0.286 nan 8.240 nan 0.000 0.446 316 Y N 3.963 124.304 120.300 0.068 0.000 2.717 316 Y HA 0.267 4.815 4.550 -0.002 0.000 0.330 316 Y C 0.435 176.359 175.900 0.040 0.000 1.217 316 Y CA -0.507 57.622 58.100 0.049 0.000 1.506 316 Y CB 0.247 38.722 38.460 0.024 0.000 1.268 316 Y HN 0.745 nan 8.280 nan 0.000 0.561 317 L N 2.737 123.598 121.223 -0.602 0.000 2.428 317 L HA 0.303 4.642 4.340 -0.002 0.000 0.190 317 L C -0.234 176.295 176.870 -0.568 0.000 1.255 317 L CA 0.321 54.909 54.840 -0.421 0.000 0.848 317 L CB 0.060 41.968 42.059 -0.252 0.000 1.088 317 L HN 0.523 nan 8.230 nan 0.000 0.500 318 D N -2.041 117.976 120.400 -0.638 0.000 2.685 318 D HA 0.140 4.778 4.640 -0.002 0.000 0.236 318 D C -1.233 174.928 176.300 -0.233 0.000 1.233 318 D CA -0.563 53.219 54.000 -0.364 0.000 0.760 318 D CB 0.911 41.634 40.800 -0.127 0.000 1.410 318 D HN 0.217 nan 8.370 nan 0.000 0.439 319 N N 1.539 120.229 118.700 -0.017 0.000 2.758 319 N HA -0.136 4.603 4.740 -0.002 0.000 0.248 319 N C 0.868 176.421 175.510 0.072 0.000 1.076 319 N CA 1.545 54.622 53.050 0.045 0.000 0.696 319 N CB -1.363 37.129 38.487 0.008 0.000 0.979 319 N HN 1.060 nan 8.380 nan 0.000 0.550 320 G N -2.279 106.646 108.800 0.207 0.000 2.168 320 G HA2 -0.348 3.611 3.960 -0.002 0.000 0.263 320 G HA3 -0.348 3.611 3.960 -0.002 0.000 0.263 320 G C 0.136 175.120 174.900 0.139 0.000 0.977 320 G CA 0.526 45.786 45.100 0.266 0.000 0.659 320 G HN 0.491 nan 8.290 nan 0.000 0.533 321 V N 0.444 120.316 119.914 -0.069 0.000 2.465 321 V HA 0.614 4.733 4.120 -0.002 0.000 0.279 321 V C 0.468 176.487 176.094 -0.125 0.000 1.045 321 V CA -0.592 61.660 62.300 -0.080 0.000 0.938 321 V CB 1.828 33.599 31.823 -0.087 0.000 0.986 321 V HN 0.257 nan 8.190 nan 0.000 0.467 322 V N 5.284 125.209 119.914 0.018 0.000 2.531 322 V HA 0.399 4.518 4.120 -0.002 0.000 0.301 322 V C -0.631 175.526 176.094 0.105 0.000 1.034 322 V CA -0.648 61.698 62.300 0.076 0.000 0.865 322 V CB 1.772 33.673 31.823 0.130 0.000 0.995 322 V HN 0.705 nan 8.190 nan 0.000 0.424 323 F N 5.619 125.565 119.950 -0.006 0.000 2.424 323 F HA 0.590 5.116 4.527 -0.002 0.000 0.356 323 F C -0.053 175.766 175.800 0.031 0.000 1.110 323 F CA -0.295 57.708 58.000 0.005 0.000 1.161 323 F CB 1.164 40.133 39.000 -0.051 0.000 1.115 323 F HN 0.262 nan 8.300 nan 0.000 0.507 324 V N 6.598 126.071 119.914 -0.735 0.000 2.311 324 V HA 0.406 4.525 4.120 -0.002 0.000 0.275 324 V C 0.567 176.154 176.094 -0.845 0.000 1.022 324 V CA -0.635 61.353 62.300 -0.519 0.000 0.830 324 V CB 0.825 32.491 31.823 -0.261 0.000 1.012 324 V HN 0.971 nan 8.190 nan 0.000 0.452 325 G N 2.927 111.412 108.800 -0.526 0.000 2.356 325 G HA2 0.432 4.390 3.960 -0.002 0.000 0.300 325 G HA3 0.432 4.390 3.960 -0.002 0.000 0.300 325 G C -0.122 174.719 174.900 -0.097 0.000 1.107 325 G CA -0.101 44.857 45.100 -0.237 0.000 0.960 325 G HN 0.627 nan 8.290 nan 0.000 0.418 326 S N 1.173 116.830 115.700 -0.071 0.000 2.472 326 S HA 0.460 4.929 4.470 -0.002 0.000 0.303 326 S C 1.243 175.849 174.600 0.009 0.000 1.099 326 S CA -0.906 57.280 58.200 -0.023 0.000 1.077 326 S CB 1.069 64.251 63.200 -0.030 0.000 1.031 326 S HN 0.764 nan 8.310 nan 0.000 0.487 327 R N 3.627 124.136 120.500 0.015 0.000 2.307 327 R HA 0.367 4.706 4.340 -0.002 0.000 0.200 327 R C 1.013 177.316 176.300 0.005 0.000 0.893 327 R CA 0.135 56.243 56.100 0.013 0.000 1.042 327 R CB -0.238 30.070 30.300 0.013 0.000 1.059 327 R HN 0.536 nan 8.270 nan 0.000 0.530 328 L N 0.568 121.799 121.223 0.013 0.000 2.477 328 L HA 0.361 4.700 4.340 -0.002 0.000 0.220 328 L C 0.889 177.749 176.870 -0.016 0.000 1.106 328 L CA 0.420 55.261 54.840 0.001 0.000 0.851 328 L CB 0.542 42.632 42.059 0.051 0.000 0.994 328 L HN 0.368 nan 8.230 nan 0.000 0.462 329 G N -1.734 107.061 108.800 -0.008 0.000 2.827 329 G HA2 0.263 4.222 3.960 -0.002 0.000 0.296 329 G HA3 0.263 4.222 3.960 -0.002 0.000 0.296 329 G C -1.613 173.277 174.900 -0.015 0.000 1.362 329 G CA -0.548 44.539 45.100 -0.022 0.000 0.809 329 G HN -0.218 nan 8.290 nan 0.000 0.522 330 D N 0.716 121.102 120.400 -0.023 0.000 2.488 330 D HA 0.365 5.004 4.640 -0.002 0.000 0.238 330 D C 0.747 177.049 176.300 0.004 0.000 1.138 330 D CA 0.557 54.555 54.000 -0.004 0.000 0.873 330 D CB 1.160 41.941 40.800 -0.031 0.000 1.183 330 D HN 0.151 nan 8.370 nan 0.000 0.458 331 S N 1.452 117.192 115.700 0.067 0.000 2.614 331 S HA 0.325 4.793 4.470 -0.002 0.000 0.265 331 S C 0.202 174.858 174.600 0.094 0.000 1.303 331 S CA -0.561 57.661 58.200 0.037 0.000 1.000 331 S CB 0.897 64.159 63.200 0.102 0.000 0.935 331 S HN 0.324 nan 8.310 nan 0.000 0.551 332 Q N 0.096 119.864 119.800 -0.053 0.000 2.456 332 Q HA 0.552 4.891 4.340 -0.002 0.000 0.284 332 Q C -1.803 174.237 176.000 0.067 0.000 1.061 332 Q CA -0.864 54.920 55.803 -0.032 0.000 0.799 332 Q CB 1.803 30.483 28.738 -0.097 0.000 1.445 332 Q HN 0.316 nan 8.270 nan 0.000 0.411 333 L N 1.434 122.734 121.223 0.128 0.000 2.296 333 L HA 0.618 4.957 4.340 -0.002 0.000 0.286 333 L C -1.330 175.557 176.870 0.028 0.000 1.023 333 L CA -0.508 54.423 54.840 0.152 0.000 0.812 333 L CB 1.841 44.027 42.059 0.212 0.000 1.223 333 L HN 0.461 nan 8.230 nan 0.000 0.421 334 V N 4.095 124.027 119.914 0.030 0.000 2.709 334 V HA 0.540 4.659 4.120 -0.002 0.000 0.308 334 V C -0.587 175.528 176.094 0.035 0.000 1.062 334 V CA -0.904 61.405 62.300 0.015 0.000 0.901 334 V CB 2.345 34.171 31.823 0.005 0.000 1.003 334 V HN 0.703 nan 8.190 nan 0.000 0.425 335 K N 4.683 125.104 120.400 0.034 0.000 2.159 335 K HA 0.669 4.987 4.320 -0.002 0.000 0.266 335 K C -1.267 175.376 176.600 0.072 0.000 0.975 335 K CA -0.268 56.049 56.287 0.050 0.000 0.865 335 K CB 1.167 33.689 32.500 0.037 0.000 1.087 335 K HN 0.579 nan 8.250 nan 0.000 0.446 336 L N 4.445 125.727 121.223 0.099 0.000 2.280 336 L HA 0.449 4.787 4.340 -0.002 0.000 0.287 336 L C -0.174 176.762 176.870 0.110 0.000 1.023 336 L CA -0.955 53.952 54.840 0.113 0.000 0.819 336 L CB 1.188 43.313 42.059 0.110 0.000 1.212 336 L HN 0.590 nan 8.230 nan 0.000 0.420 337 N N 0.967 119.753 118.700 0.143 0.000 2.489 337 N HA 0.190 4.928 4.740 -0.002 0.000 0.284 337 N C 1.041 176.663 175.510 0.187 0.000 1.158 337 N CA -0.453 52.681 53.050 0.139 0.000 0.965 337 N CB 2.507 41.068 38.487 0.123 0.000 1.195 337 N HN 0.475 nan 8.380 nan 0.000 0.506 338 V N -2.029 117.962 119.914 0.128 0.000 2.809 338 V HA -0.017 4.101 4.120 -0.002 0.000 0.256 338 V C 0.404 176.650 176.094 0.253 0.000 1.080 338 V CA 1.070 63.441 62.300 0.118 0.000 1.102 338 V CB -0.628 31.230 31.823 0.058 0.000 0.705 338 V HN 0.667 nan 8.190 nan 0.000 0.475 339 D N 1.197 121.734 120.400 0.229 0.000 2.375 339 D HA 0.362 5.000 4.640 -0.002 0.000 0.247 339 D C -0.160 176.148 176.300 0.012 0.000 1.061 339 D CA 0.105 54.199 54.000 0.157 0.000 0.834 339 D CB 2.030 42.869 40.800 0.065 0.000 1.247 339 D HN 0.431 nan 8.370 nan 0.000 0.489 340 S N 2.051 117.599 115.700 -0.253 0.000 2.592 340 S HA 0.272 4.740 4.470 -0.002 0.000 0.271 340 S C 0.617 175.063 174.600 -0.256 0.000 1.326 340 S CA -0.764 57.103 58.200 -0.555 0.000 1.024 340 S CB 0.801 63.466 63.200 -0.893 0.000 0.921 340 S HN 0.654 nan 8.310 nan 0.000 0.527 341 N N 1.060 119.627 118.700 -0.222 0.000 2.332 341 N HA 0.100 4.839 4.740 -0.002 0.000 0.282 341 N C 0.555 175.992 175.510 -0.122 0.000 1.288 341 N CA -0.430 52.542 53.050 -0.131 0.000 0.949 341 N CB -0.382 38.045 38.487 -0.100 0.000 1.108 341 N HN 0.752 nan 8.380 nan 0.000 0.542 342 E N -1.189 118.959 120.200 -0.087 0.000 2.338 342 E HA -0.091 4.258 4.350 -0.002 0.000 0.197 342 E C 0.635 177.189 176.600 -0.077 0.000 1.007 342 E CA 0.700 57.056 56.400 -0.072 0.000 0.849 342 E CB 0.045 29.713 29.700 -0.054 0.000 0.774 342 E HN 0.521 nan 8.360 nan 0.000 0.506 343 Q N -0.914 118.831 119.800 -0.091 0.000 2.282 343 Q HA 0.135 4.473 4.340 -0.002 0.000 0.206 343 Q C 1.082 177.016 176.000 -0.109 0.000 0.878 343 Q CA 0.586 56.337 55.803 -0.086 0.000 0.944 343 Q CB 1.486 30.178 28.738 -0.078 0.000 1.100 343 Q HN 0.311 nan 8.270 nan 0.000 0.509 344 G N 1.696 110.402 108.800 -0.157 0.000 2.130 344 G HA2 -0.231 3.727 3.960 -0.002 0.000 0.216 344 G HA3 -0.231 3.727 3.960 -0.002 0.000 0.216 344 G C -0.027 174.688 174.900 -0.309 0.000 0.999 344 G CA 0.472 45.443 45.100 -0.215 0.000 0.686 344 G HN 0.302 nan 8.290 nan 0.000 0.515 345 S N -0.981 114.543 115.700 -0.294 0.000 2.475 345 S HA 0.695 5.164 4.470 -0.002 0.000 0.298 345 S C 0.937 175.337 174.600 -0.333 0.000 1.119 345 S CA -0.526 57.529 58.200 -0.242 0.000 1.085 345 S CB 0.884 64.012 63.200 -0.121 0.000 1.028 345 S HN 0.310 nan 8.310 nan 0.000 0.489 346 Y N 2.767 123.048 120.300 -0.032 0.000 2.466 346 Y HA 0.294 4.843 4.550 -0.002 0.000 0.272 346 Y C 0.578 176.470 175.900 -0.014 0.000 1.169 346 Y CA -0.195 57.894 58.100 -0.019 0.000 1.285 346 Y CB 0.408 38.860 38.460 -0.014 0.000 1.078 346 Y HN 0.340 nan 8.280 nan 0.000 0.523 347 V N 1.330 121.295 119.914 0.084 0.000 2.439 347 V HA 0.382 4.500 4.120 -0.002 0.000 0.282 347 V C -0.385 175.718 176.094 0.015 0.000 1.039 347 V CA -0.884 61.446 62.300 0.050 0.000 0.913 347 V CB 1.665 33.503 31.823 0.026 0.000 0.983 347 V HN -0.117 nan 8.190 nan 0.000 0.460 348 V N 4.818 124.742 119.914 0.017 0.000 2.623 348 V HA 0.847 4.966 4.120 -0.002 0.000 0.304 348 V C 0.144 176.233 176.094 -0.008 0.000 1.054 348 V CA -0.444 61.855 62.300 -0.002 0.000 0.882 348 V CB 1.805 33.628 31.823 -0.001 0.000 1.002 348 V HN 1.119 nan 8.190 nan 0.000 0.424 349 A N 6.857 129.662 122.820 -0.024 0.000 2.454 349 A HA 0.529 4.847 4.320 -0.002 0.000 0.260 349 A C 0.594 178.150 177.584 -0.047 0.000 1.106 349 A CA -0.012 52.000 52.037 -0.041 0.000 0.780 349 A CB 0.516 19.482 19.000 -0.056 0.000 1.044 349 A HN 1.012 nan 8.150 nan 0.000 0.498 350 M N 0.818 120.388 119.600 -0.050 0.000 2.556 350 M HA 0.163 4.642 4.480 -0.002 0.000 0.264 350 M C 0.383 176.623 176.300 -0.101 0.000 1.163 350 M CA 1.213 56.483 55.300 -0.050 0.000 1.186 350 M CB 0.240 32.828 32.600 -0.018 0.000 1.321 350 M HN 0.742 nan 8.290 nan 0.000 0.485 351 E N -0.395 119.703 120.200 -0.170 0.000 2.390 351 E HA 0.375 4.724 4.350 -0.002 0.000 0.277 351 E C -1.360 174.905 176.600 -0.558 0.000 0.939 351 E CA -0.436 55.742 56.400 -0.369 0.000 0.769 351 E CB 2.801 32.239 29.700 -0.438 0.000 1.251 351 E HN -0.080 nan 8.360 nan 0.000 0.450 352 T N 1.683 115.835 114.554 -0.671 0.000 2.848 352 T HA 0.506 4.854 4.350 -0.002 0.000 0.285 352 T C -1.012 173.285 174.700 -0.673 0.000 0.995 352 T CA -0.581 61.195 62.100 -0.540 0.000 0.970 352 T CB 0.342 69.058 68.868 -0.254 0.000 0.976 352 T HN 0.214 nan 8.240 nan 0.000 0.441 353 F N 1.600 121.546 119.950 -0.007 0.000 2.402 353 F HA 0.329 4.855 4.527 -0.002 0.000 0.355 353 F C 1.155 176.952 175.800 -0.006 0.000 1.123 353 F CA -1.062 56.946 58.000 0.013 0.000 1.021 353 F CB 0.969 40.006 39.000 0.063 0.000 1.160 353 F HN 0.373 nan 8.300 nan 0.000 0.451 354 T N 2.638 117.265 114.554 0.121 0.000 2.800 354 T HA -0.103 4.245 4.350 -0.002 0.000 0.283 354 T C -0.024 174.708 174.700 0.053 0.000 0.999 354 T CA 0.453 62.578 62.100 0.043 0.000 1.176 354 T CB -0.333 68.538 68.868 0.006 0.000 0.973 354 T HN 0.440 nan 8.240 nan 0.000 0.519 355 N N 3.156 121.867 118.700 0.019 0.000 2.443 355 N HA 0.273 5.012 4.740 -0.002 0.000 0.269 355 N C 0.590 176.085 175.510 -0.024 0.000 0.985 355 N CA -0.750 52.306 53.050 0.010 0.000 0.921 355 N CB 0.847 39.344 38.487 0.017 0.000 1.195 355 N HN 0.453 nan 8.380 nan 0.000 0.492 356 L N 1.140 122.347 121.223 -0.026 0.000 2.492 356 L HA 0.311 4.650 4.340 -0.002 0.000 0.223 356 L C 1.336 178.182 176.870 -0.039 0.000 1.132 356 L CA 0.033 54.846 54.840 -0.044 0.000 0.850 356 L CB -0.270 41.763 42.059 -0.044 0.000 0.966 356 L HN 0.497 nan 8.230 nan 0.000 0.454 357 G N -0.067 108.718 108.800 -0.025 0.000 2.410 357 G HA2 0.489 4.448 3.960 -0.002 0.000 0.330 357 G HA3 0.489 4.448 3.960 -0.002 0.000 0.330 357 G C -2.760 172.121 174.900 -0.032 0.000 1.142 357 G CA -1.214 43.874 45.100 -0.019 0.000 0.902 357 G HN -0.183 nan 8.290 nan 0.000 0.491 358 P HA 0.194 nan 4.420 nan 0.000 0.271 358 P C -0.204 177.083 177.300 -0.022 0.000 1.216 358 P CA -0.117 62.970 63.100 -0.021 0.000 0.771 358 P CB 0.875 32.556 31.700 -0.033 0.000 0.864 359 I N 3.494 124.064 120.570 0.000 0.000 2.308 359 I HA 0.027 4.195 4.170 -0.002 0.000 0.293 359 I C 1.431 177.560 176.117 0.020 0.000 1.078 359 I CA 0.007 61.306 61.300 -0.002 0.000 1.292 359 I CB 0.714 38.712 38.000 -0.002 0.000 1.423 359 I HN 0.165 nan 8.210 nan 0.000 0.493 360 V N 4.570 124.491 119.914 0.012 0.000 3.125 360 V HA 0.111 4.230 4.120 -0.002 0.000 0.249 360 V C 0.178 176.303 176.094 0.053 0.000 1.113 360 V CA 1.182 63.504 62.300 0.036 0.000 1.106 360 V CB 0.052 31.882 31.823 0.011 0.000 0.768 360 V HN 0.791 nan 8.190 nan 0.000 0.468 361 D N -0.940 119.483 120.400 0.038 0.000 2.622 361 D HA 0.553 5.191 4.640 -0.002 0.000 0.255 361 D C -0.973 175.352 176.300 0.042 0.000 1.246 361 D CA -0.431 53.603 54.000 0.057 0.000 0.795 361 D CB 1.865 42.714 40.800 0.081 0.000 1.369 361 D HN 0.122 nan 8.370 nan 0.000 0.425 362 M N -0.001 119.636 119.600 0.063 0.000 2.643 362 M HA 0.657 5.135 4.480 -0.002 0.000 0.276 362 M C -1.652 174.711 176.300 0.104 0.000 1.200 362 M CA -0.823 54.512 55.300 0.058 0.000 0.863 362 M CB 1.828 34.446 32.600 0.030 0.000 1.711 362 M HN 0.638 nan 8.290 nan 0.000 0.492 363 C N 0.109 119.479 119.300 0.118 0.000 3.090 363 C HA 0.933 5.391 4.460 -0.002 0.000 0.305 363 C C -0.720 174.352 174.990 0.136 0.000 1.292 363 C CA -0.758 58.356 59.018 0.161 0.000 1.482 363 C CB 1.518 29.405 27.740 0.245 0.000 1.897 363 C HN 0.816 nan 8.230 nan 0.000 0.469 364 V N 2.258 122.249 119.914 0.129 0.000 2.394 364 V HA 0.698 4.816 4.120 -0.002 0.000 0.282 364 V C -0.145 175.997 176.094 0.080 0.000 1.031 364 V CA -0.100 62.256 62.300 0.094 0.000 0.881 364 V CB 1.241 33.116 31.823 0.087 0.000 0.982 364 V HN 0.850 nan 8.190 nan 0.000 0.451 365 V N 3.346 123.282 119.914 0.038 0.000 2.760 365 V HA 0.420 4.539 4.120 -0.002 0.000 0.309 365 V C -0.866 175.199 176.094 -0.048 0.000 1.077 365 V CA -0.694 61.565 62.300 -0.069 0.000 0.910 365 V CB 2.308 33.969 31.823 -0.271 0.000 1.008 365 V HN 0.916 nan 8.190 nan 0.000 0.424 366 D N 3.276 123.646 120.400 -0.050 0.000 2.485 366 D HA 0.414 5.053 4.640 -0.002 0.000 0.229 366 D C 0.756 177.038 176.300 -0.030 0.000 1.101 366 D CA -0.196 53.794 54.000 -0.017 0.000 0.906 366 D CB 0.930 41.735 40.800 0.008 0.000 1.019 366 D HN 0.414 nan 8.370 nan 0.000 0.516 367 L N 1.983 123.188 121.223 -0.030 0.000 2.109 367 L HA 0.042 4.380 4.340 -0.002 0.000 0.207 367 L C 1.437 178.330 176.870 0.038 0.000 1.086 367 L CA 0.761 55.589 54.840 -0.020 0.000 0.760 367 L CB -0.068 41.994 42.059 0.006 0.000 0.910 367 L HN 0.251 nan 8.230 nan 0.000 0.437 368 E N 0.253 120.478 120.200 0.042 0.000 2.416 368 E HA 0.033 4.382 4.350 -0.002 0.000 0.189 368 E C -0.042 176.580 176.600 0.037 0.000 1.091 368 E CA -0.104 56.324 56.400 0.047 0.000 0.889 368 E CB -0.260 29.463 29.700 0.039 0.000 1.015 368 E HN 0.066 nan 8.360 nan 0.000 0.479 369 R N 1.037 121.558 120.500 0.035 0.000 2.727 369 R HA -0.291 4.048 4.340 -0.002 0.000 0.224 369 R C 0.016 176.330 176.300 0.022 0.000 0.789 369 R CA 0.496 56.614 56.100 0.030 0.000 0.532 369 R CB -1.259 29.062 30.300 0.034 0.000 1.130 369 R HN 0.452 nan 8.270 nan 0.000 0.511 370 Q N -1.162 118.650 119.800 0.019 0.000 3.065 370 Q HA 0.381 4.719 4.340 -0.002 0.000 0.207 370 Q C 1.490 177.497 176.000 0.012 0.000 1.165 370 Q CA 0.077 55.888 55.803 0.013 0.000 0.371 370 Q CB 0.370 29.115 28.738 0.011 0.000 5.665 370 Q HN 0.360 nan 8.270 nan 0.000 0.313 371 G N -0.260 108.545 108.800 0.008 0.000 3.969 371 G HA2 0.133 4.091 3.960 -0.002 0.000 0.291 371 G HA3 0.133 4.091 3.960 -0.002 0.000 0.291 371 G C -0.689 174.217 174.900 0.009 0.000 1.016 371 G CA -0.070 45.035 45.100 0.008 0.000 0.819 371 G HN 0.140 nan 8.290 nan 0.000 0.493 372 Q N 0.909 120.716 119.800 0.011 0.000 2.348 372 Q HA 0.547 4.886 4.340 -0.002 0.000 0.265 372 Q C 0.356 176.367 176.000 0.019 0.000 0.998 372 Q CA -0.660 55.151 55.803 0.013 0.000 0.831 372 Q CB 1.588 30.333 28.738 0.011 0.000 1.251 372 Q HN 0.231 nan 8.270 nan 0.000 0.456 373 G N 2.736 111.549 108.800 0.023 0.000 2.503 373 G HA2 0.241 4.200 3.960 -0.002 0.000 0.257 373 G HA3 0.241 4.200 3.960 -0.002 0.000 0.257 373 G C -0.679 174.239 174.900 0.030 0.000 1.214 373 G CA -0.186 44.930 45.100 0.027 0.000 0.839 373 G HN 0.598 nan 8.290 nan 0.000 0.559 374 Q N 0.035 119.854 119.800 0.033 0.000 2.375 374 Q HA 0.395 4.733 4.340 -0.002 0.000 0.271 374 Q C -0.772 175.248 176.000 0.034 0.000 1.074 374 Q CA -0.734 55.090 55.803 0.035 0.000 0.808 374 Q CB 2.936 31.703 28.738 0.048 0.000 1.327 374 Q HN 0.371 nan 8.270 nan 0.000 0.441 375 L N 2.182 123.414 121.223 0.015 0.000 2.305 375 L HA 0.391 4.729 4.340 -0.002 0.000 0.281 375 L C -0.704 176.149 176.870 -0.028 0.000 1.085 375 L CA -0.721 54.122 54.840 0.005 0.000 0.813 375 L CB 1.153 43.206 42.059 -0.011 0.000 1.157 375 L HN 0.331 nan 8.230 nan 0.000 0.436 376 V N 2.041 121.938 119.914 -0.028 0.000 2.334 376 V HA 0.338 4.456 4.120 -0.002 0.000 0.281 376 V C 0.356 176.394 176.094 -0.093 0.000 1.016 376 V CA -0.670 61.555 62.300 -0.125 0.000 0.832 376 V CB 1.391 33.048 31.823 -0.278 0.000 0.999 376 V HN 0.847 nan 8.190 nan 0.000 0.439 377 T N 1.021 115.509 114.554 -0.109 0.000 2.934 377 T HA 0.458 4.806 4.350 -0.002 0.000 0.283 377 T C -0.170 174.478 174.700 -0.087 0.000 1.005 377 T CA -0.605 61.452 62.100 -0.073 0.000 1.041 377 T CB 1.400 70.227 68.868 -0.069 0.000 1.042 377 T HN 0.563 nan 8.240 nan 0.000 0.505 378 C N 2.924 122.193 119.300 -0.051 0.000 2.246 378 C HA 0.718 5.177 4.460 -0.002 0.000 0.329 378 C C 0.592 175.544 174.990 -0.065 0.000 1.221 378 C CA -0.441 58.543 59.018 -0.058 0.000 1.697 378 C CB -0.826 26.899 27.740 -0.025 0.000 2.312 378 C HN 0.951 nan 8.230 nan 0.000 0.509 379 S N 1.613 117.258 115.700 -0.090 0.000 2.566 379 S HA 0.906 5.375 4.470 -0.002 0.000 0.298 379 S C 0.351 174.885 174.600 -0.110 0.000 1.083 379 S CA 0.509 58.654 58.200 -0.091 0.000 0.978 379 S CB 1.732 64.876 63.200 -0.094 0.000 1.073 379 S HN 1.499 nan 8.310 nan 0.000 0.491 380 G N 0.935 109.672 108.800 -0.105 0.000 2.698 380 G HA2 0.335 4.293 3.960 -0.002 0.000 0.233 380 G HA3 0.335 4.293 3.960 -0.002 0.000 0.233 380 G C -0.363 174.419 174.900 -0.198 0.000 1.352 380 G CA -0.144 44.881 45.100 -0.125 0.000 0.879 380 G HN 1.693 nan 8.290 nan 0.000 0.567 381 A N -2.015 120.650 122.820 -0.258 0.000 2.608 381 A HA 0.999 5.317 4.320 -0.002 0.000 0.292 381 A C 0.184 177.532 177.584 -0.392 0.000 1.066 381 A CA 0.455 52.172 52.037 -0.532 0.000 0.676 381 A CB 0.242 18.676 19.000 -0.942 0.000 1.277 381 A HN 2.404 nan 8.150 nan 0.000 0.413 382 F N -0.409 119.530 119.950 -0.019 0.000 2.182 382 F HA -0.416 4.110 4.527 -0.002 0.000 0.318 382 F C 2.205 178.009 175.800 0.007 0.000 0.142 382 F CA 1.505 59.502 58.000 -0.004 0.000 0.912 382 F CB -0.745 38.259 39.000 0.007 0.000 4.133 382 F HN 0.839 nan 8.300 nan 0.000 0.138 383 K N 0.907 121.460 120.400 0.255 0.000 2.360 383 K HA -0.134 4.185 4.320 -0.002 0.000 0.201 383 K C 0.922 177.580 176.600 0.097 0.000 1.046 383 K CA 2.050 58.449 56.287 0.187 0.000 0.940 383 K CB -0.305 32.304 32.500 0.182 0.000 0.748 383 K HN 0.543 nan 8.250 nan 0.000 0.465 384 E N 1.266 121.496 120.200 0.050 0.000 2.478 384 E HA 0.040 4.388 4.350 -0.002 0.000 0.194 384 E C 0.787 177.319 176.600 -0.114 0.000 1.045 384 E CA 0.402 56.779 56.400 -0.038 0.000 0.868 384 E CB 0.106 29.798 29.700 -0.013 0.000 0.885 384 E HN 0.460 nan 8.360 nan 0.000 0.505 385 G N 1.939 110.669 108.800 -0.116 0.000 2.391 385 G HA2 0.194 4.152 3.960 -0.002 0.000 0.234 385 G HA3 0.194 4.152 3.960 -0.002 0.000 0.234 385 G C 0.117 174.903 174.900 -0.190 0.000 1.284 385 G CA 0.476 45.487 45.100 -0.149 0.000 0.873 385 G HN 0.180 nan 8.290 nan 0.000 0.549 386 S N 1.054 116.651 115.700 -0.171 0.000 2.587 386 S HA 0.612 5.081 4.470 -0.002 0.000 0.269 386 S C -0.894 173.609 174.600 -0.162 0.000 1.154 386 S CA -1.091 56.996 58.200 -0.189 0.000 0.824 386 S CB 1.161 64.240 63.200 -0.201 0.000 1.118 386 S HN 0.583 nan 8.310 nan 0.000 0.462 387 L N 1.395 122.510 121.223 -0.180 0.000 2.343 387 L HA 0.694 5.033 4.340 -0.002 0.000 0.275 387 L C 0.044 176.768 176.870 -0.245 0.000 1.056 387 L CA -0.965 53.753 54.840 -0.204 0.000 0.804 387 L CB 1.049 42.971 42.059 -0.227 0.000 1.203 387 L HN 0.570 nan 8.230 nan 0.000 0.440 388 R N 2.962 123.324 120.500 -0.230 0.000 2.599 388 R HA 0.606 4.945 4.340 -0.002 0.000 0.295 388 R C -1.221 174.931 176.300 -0.247 0.000 0.963 388 R CA -0.828 55.133 56.100 -0.231 0.000 0.883 388 R CB 2.218 32.419 30.300 -0.165 0.000 1.171 388 R HN 0.413 nan 8.270 nan 0.000 0.450 389 I N 3.801 124.208 120.570 -0.272 0.000 2.382 389 I HA 0.369 4.537 4.170 -0.002 0.000 0.286 389 I C -0.276 175.756 176.117 -0.142 0.000 1.002 389 I CA -0.303 60.867 61.300 -0.217 0.000 1.135 389 I CB 1.247 39.081 38.000 -0.276 0.000 1.288 389 I HN 0.396 nan 8.210 nan 0.000 0.448 390 I N 6.658 127.178 120.570 -0.084 0.000 2.378 390 I HA 0.582 4.750 4.170 -0.002 0.000 0.291 390 I C -0.101 176.015 176.117 -0.000 0.000 0.992 390 I CA -0.396 60.873 61.300 -0.052 0.000 1.154 390 I CB 1.172 39.141 38.000 -0.052 0.000 1.315 390 I HN 0.479 nan 8.210 nan 0.000 0.448 391 R N 5.821 126.342 120.500 0.035 0.000 2.604 391 R HA 0.436 4.774 4.340 -0.002 0.000 0.281 391 R C -1.398 174.946 176.300 0.072 0.000 1.020 391 R CA -0.612 55.526 56.100 0.063 0.000 0.899 391 R CB 1.577 31.934 30.300 0.096 0.000 1.205 391 R HN 0.720 nan 8.270 nan 0.000 0.450 392 N N 0.984 119.715 118.700 0.053 0.000 2.525 392 N HA 0.395 5.134 4.740 -0.002 0.000 0.271 392 N C -0.094 175.443 175.510 0.045 0.000 1.194 392 N CA 1.149 54.229 53.050 0.049 0.000 0.964 392 N CB 0.858 39.365 38.487 0.033 0.000 1.126 392 N HN 0.838 nan 8.380 nan 0.000 0.452 393 G N 0.841 109.669 108.800 0.046 0.000 2.712 393 G HA2 -0.197 3.761 3.960 -0.002 0.000 0.683 393 G HA3 -0.197 3.761 3.960 -0.002 0.000 0.683 393 G C -0.854 174.058 174.900 0.020 0.000 1.320 393 G CA -0.884 44.233 45.100 0.028 0.000 0.847 393 G HN 0.483 nan 8.290 nan 0.000 0.553 394 I N 1.372 121.939 120.570 -0.005 0.000 2.359 394 I HA 0.598 4.766 4.170 -0.002 0.000 0.294 394 I C 1.160 177.247 176.117 -0.050 0.000 0.987 394 I CA -0.130 61.153 61.300 -0.028 0.000 1.225 394 I CB 1.773 39.765 38.000 -0.013 0.000 1.366 394 I HN 0.841 nan 8.210 nan 0.000 0.466 395 G N 6.466 115.201 108.800 -0.108 0.000 2.410 395 G HA2 0.638 4.597 3.960 -0.002 0.000 0.330 395 G HA3 0.638 4.597 3.960 -0.002 0.000 0.330 395 G C -0.621 174.220 174.900 -0.099 0.000 1.142 395 G CA -0.453 44.563 45.100 -0.141 0.000 0.902 395 G HN 0.343 nan 8.290 nan 0.000 0.491 396 I N 1.851 122.354 120.570 -0.113 0.000 2.339 396 I HA 0.199 4.368 4.170 -0.002 0.000 0.290 396 I C -0.230 175.812 176.117 -0.124 0.000 0.994 396 I CA -0.730 60.533 61.300 -0.063 0.000 1.191 396 I CB 1.186 39.160 38.000 -0.044 0.000 1.343 396 I HN 0.462 nan 8.210 nan 0.000 0.458 397 H N 6.154 125.198 119.070 -0.043 0.000 3.008 397 H HA 0.201 4.755 4.556 -0.003 0.000 0.268 397 H C -0.182 175.170 175.328 0.040 0.000 1.323 397 H CA -0.270 55.797 56.048 0.032 0.000 1.401 397 H CB 0.435 30.245 29.762 0.081 0.000 1.556 397 H HN 0.497 nan 8.280 nan 0.000 0.502 398 E N 2.117 122.412 120.200 0.159 0.000 2.299 398 E HA -0.010 4.339 4.350 -0.002 0.000 0.272 398 E C 0.133 176.971 176.600 0.396 0.000 1.043 398 E CA -0.037 56.460 56.400 0.161 0.000 0.895 398 E CB 0.741 30.488 29.700 0.079 0.000 1.011 398 E HN 0.604 nan 8.360 nan 0.000 0.432 399 H N 1.010 120.143 119.070 0.105 0.000 2.874 399 H HA 0.405 4.960 4.556 -0.002 0.000 0.264 399 H C -0.230 175.217 175.328 0.198 0.000 1.007 399 H CA 0.157 56.303 56.048 0.163 0.000 1.207 399 H CB 1.085 30.993 29.762 0.244 0.000 1.487 399 H HN 0.499 nan 8.280 nan 0.000 0.505 400 A N -0.554 122.405 122.820 0.232 0.000 2.589 400 A HA 0.593 4.912 4.320 -0.002 0.000 0.296 400 A C -0.777 176.829 177.584 0.037 0.000 1.062 400 A CA -0.372 51.743 52.037 0.130 0.000 0.686 400 A CB 1.373 20.423 19.000 0.083 0.000 1.282 400 A HN -0.009 nan 8.150 nan 0.000 0.404 401 S N 2.212 117.930 115.700 0.030 0.000 2.486 401 S HA 0.389 4.857 4.470 -0.002 0.000 0.144 401 S C -0.174 174.432 174.600 0.010 0.000 1.542 401 S CA -0.544 57.662 58.200 0.010 0.000 1.262 401 S CB -0.712 62.499 63.200 0.019 0.000 1.462 401 S HN 0.576 nan 8.310 nan 0.000 0.381 402 I N 1.721 122.291 120.570 -0.000 0.000 2.993 402 I HA 0.221 4.390 4.170 -0.002 0.000 0.286 402 I C 0.828 176.956 176.117 0.018 0.000 1.215 402 I CA 0.140 61.446 61.300 0.010 0.000 1.393 402 I CB 0.307 38.310 38.000 0.005 0.000 1.371 402 I HN 0.494 nan 8.210 nan 0.000 0.602 403 D N 5.502 125.919 120.400 0.027 0.000 2.505 403 D HA 0.403 5.041 4.640 -0.002 0.000 0.242 403 D C -1.023 175.309 176.300 0.053 0.000 1.136 403 D CA -0.304 53.717 54.000 0.035 0.000 0.954 403 D CB 0.148 40.965 40.800 0.027 0.000 1.002 403 D HN 0.291 nan 8.370 nan 0.000 0.512 404 L N 4.880 126.151 121.223 0.079 0.000 2.345 404 L HA 0.398 4.737 4.340 -0.002 0.000 0.274 404 L C -2.371 174.603 176.870 0.173 0.000 0.999 404 L CA -1.624 53.305 54.840 0.148 0.000 0.849 404 L CB 2.234 44.425 42.059 0.220 0.000 1.220 404 L HN 0.085 nan 8.230 nan 0.000 0.422 405 P HA 0.344 nan 4.420 nan 0.000 0.284 405 P C 0.587 178.048 177.300 0.267 0.000 1.258 405 P CA -0.202 62.995 63.100 0.162 0.000 0.824 405 P CB 1.453 33.216 31.700 0.106 0.000 1.038 406 G N 1.430 110.349 108.800 0.198 0.000 2.176 406 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.252 406 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.252 406 G C 0.010 174.999 174.900 0.148 0.000 1.024 406 G CA -0.334 44.895 45.100 0.215 0.000 0.755 406 G HN 0.465 nan 8.290 nan 0.000 0.507 407 I N -0.238 120.303 120.570 -0.047 0.000 2.588 407 I HA 0.200 4.369 4.170 -0.002 0.000 0.283 407 I C 1.274 177.209 176.117 -0.303 0.000 1.119 407 I CA 0.030 61.051 61.300 -0.465 0.000 1.419 407 I CB 0.807 38.576 38.000 -0.385 0.000 1.394 407 I HN -0.114 nan 8.210 nan 0.000 0.562 408 K N 4.088 124.164 120.400 -0.540 0.000 2.402 408 K HA 0.385 4.703 4.320 -0.002 0.000 0.204 408 K C 0.183 176.015 176.600 -1.279 0.000 1.056 408 K CA -0.073 55.823 56.287 -0.652 0.000 1.069 408 K CB 1.351 33.729 32.500 -0.203 0.000 0.888 408 K HN 0.913 nan 8.250 nan 0.000 0.546 409 G N 0.770 108.907 108.800 -1.105 0.000 2.404 409 G HA2 0.435 4.393 3.960 -0.002 0.000 0.298 409 G HA3 0.435 4.393 3.960 -0.002 0.000 0.298 409 G C -1.924 172.283 174.900 -1.155 0.000 1.577 409 G CA -0.853 43.531 45.100 -1.193 0.000 0.847 409 G HN -0.013 nan 8.290 nan 0.000 0.598 410 L N 0.448 120.804 121.223 -1.446 0.000 2.464 410 L HA 0.715 5.053 4.340 -0.002 0.000 0.266 410 L C -1.110 175.118 176.870 -1.070 0.000 0.965 410 L CA -0.716 53.585 54.840 -0.898 0.000 0.833 410 L CB 2.453 44.222 42.059 -0.483 0.000 1.296 410 L HN 0.554 nan 8.230 nan 0.000 0.405 411 W N 3.097 124.330 121.300 -0.113 0.000 3.042 411 W HA 0.352 5.010 4.660 -0.003 0.000 0.337 411 W C -2.670 173.785 176.519 -0.106 0.000 1.086 411 W CA -1.537 55.728 57.345 -0.134 0.000 1.236 411 W CB 2.318 31.637 29.460 -0.235 0.000 1.381 411 W HN 0.102 nan 8.180 nan 0.000 0.472 412 P HA 0.433 nan 4.420 nan 0.000 0.279 412 P C -0.970 176.366 177.300 0.060 0.000 1.239 412 P CA -0.155 62.977 63.100 0.054 0.000 0.789 412 P CB 2.252 33.977 31.700 0.041 0.000 0.933 413 L N 2.139 123.383 121.223 0.034 0.000 2.472 413 L HA 0.524 4.863 4.340 -0.002 0.000 0.260 413 L C -0.445 176.432 176.870 0.011 0.000 0.963 413 L CA -0.788 54.064 54.840 0.020 0.000 0.829 413 L CB 2.640 44.695 42.059 -0.007 0.000 1.348 413 L HN 0.231 nan 8.230 nan 0.000 0.408 414 R N 1.601 122.111 120.500 0.017 0.000 2.275 414 R HA 0.308 4.647 4.340 -0.002 0.000 0.326 414 R C 0.079 176.382 176.300 0.005 0.000 0.973 414 R CA -0.095 56.014 56.100 0.016 0.000 0.854 414 R CB 1.572 31.889 30.300 0.028 0.000 1.156 414 R HN 0.652 nan 8.270 nan 0.000 0.487 415 S N 2.276 117.971 115.700 -0.009 0.000 2.575 415 S HA 0.004 4.473 4.470 -0.002 0.000 0.215 415 S C -0.382 174.215 174.600 -0.005 0.000 0.966 415 S CA 0.029 58.216 58.200 -0.021 0.000 0.911 415 S CB 0.077 63.249 63.200 -0.046 0.000 0.780 415 S HN 0.652 nan 8.310 nan 0.000 0.514 416 D N 0.201 120.604 120.400 0.005 0.000 2.575 416 D HA 0.419 5.058 4.640 -0.002 0.000 0.250 416 D C -2.190 174.120 176.300 0.016 0.000 1.279 416 D CA -1.973 52.033 54.000 0.010 0.000 0.925 416 D CB 1.845 42.650 40.800 0.008 0.000 1.261 416 D HN -0.133 nan 8.370 nan 0.000 0.567 417 P HA -0.076 nan 4.420 nan 0.000 0.221 417 P C 0.324 177.637 177.300 0.021 0.000 1.145 417 P CA 1.096 64.210 63.100 0.023 0.000 0.795 417 P CB 0.245 31.960 31.700 0.026 0.000 0.775 418 N N -0.819 117.892 118.700 0.018 0.000 2.132 418 N HA -0.032 4.707 4.740 -0.002 0.000 0.187 418 N C 0.628 176.147 175.510 0.016 0.000 1.038 418 N CA 0.370 53.430 53.050 0.016 0.000 0.846 418 N CB -0.322 38.173 38.487 0.014 0.000 1.012 418 N HN 0.009 nan 8.380 nan 0.000 0.429 419 R N 1.956 122.465 120.500 0.015 0.000 2.351 419 R HA 0.046 4.385 4.340 -0.002 0.000 0.318 419 R C 0.165 176.477 176.300 0.019 0.000 1.055 419 R CA 0.148 56.257 56.100 0.016 0.000 0.968 419 R CB 0.412 30.720 30.300 0.015 0.000 0.974 419 R HN 0.385 nan 8.270 nan 0.000 0.439 420 E N 0.947 121.159 120.200 0.020 0.000 2.516 420 E HA -0.063 4.285 4.350 -0.002 0.000 0.199 420 E C 0.184 176.800 176.600 0.027 0.000 1.069 420 E CA 0.594 57.008 56.400 0.023 0.000 0.876 420 E CB 0.303 30.016 29.700 0.021 0.000 0.843 420 E HN 0.593 nan 8.360 nan 0.000 0.530 421 T N -1.520 113.050 114.554 0.027 0.000 2.885 421 T HA 0.272 4.620 4.350 -0.002 0.000 0.285 421 T C -0.170 174.549 174.700 0.033 0.000 1.019 421 T CA -1.201 60.919 62.100 0.032 0.000 1.010 421 T CB 2.056 70.944 68.868 0.032 0.000 1.022 421 T HN -0.283 nan 8.240 nan 0.000 0.466 422 D N 1.581 122.003 120.400 0.037 0.000 2.378 422 D HA 0.251 4.890 4.640 -0.002 0.000 0.238 422 D C 0.491 176.812 176.300 0.035 0.000 1.180 422 D CA 0.296 54.316 54.000 0.034 0.000 0.895 422 D CB 0.768 41.590 40.800 0.036 0.000 1.192 422 D HN 0.918 nan 8.370 nan 0.000 0.438 423 D N -2.550 117.865 120.400 0.024 0.000 2.615 423 D HA 0.090 4.728 4.640 -0.002 0.000 0.274 423 D C -0.739 175.567 176.300 0.011 0.000 1.512 423 D CA -0.321 53.695 54.000 0.025 0.000 0.803 423 D CB 0.061 40.872 40.800 0.018 0.000 1.182 423 D HN 0.112 nan 8.370 nan 0.000 0.473 424 T N 0.351 114.906 114.554 0.001 0.000 2.956 424 T HA 0.550 4.899 4.350 -0.002 0.000 0.312 424 T C -1.759 172.936 174.700 -0.008 0.000 1.151 424 T CA -0.636 61.453 62.100 -0.019 0.000 1.024 424 T CB 2.174 71.008 68.868 -0.057 0.000 1.140 424 T HN 0.071 nan 8.240 nan 0.000 0.473 425 L N 3.346 124.564 121.223 -0.009 0.000 2.457 425 L HA 0.627 4.966 4.340 -0.002 0.000 0.266 425 L C -1.094 175.796 176.870 0.034 0.000 0.979 425 L CA -0.505 54.336 54.840 0.002 0.000 0.857 425 L CB 1.241 43.280 42.059 -0.035 0.000 1.213 425 L HN 0.531 nan 8.230 nan 0.000 0.418 426 V N 5.548 125.522 119.914 0.100 0.000 2.546 426 V HA 0.478 4.597 4.120 -0.002 0.000 0.284 426 V C -0.077 176.154 176.094 0.229 0.000 1.050 426 V CA -0.400 62.007 62.300 0.177 0.000 0.981 426 V CB 1.422 33.384 31.823 0.231 0.000 0.990 426 V HN 0.526 nan 8.190 nan 0.000 0.474 427 L N 3.394 124.725 121.223 0.179 0.000 2.341 427 L HA 0.646 4.985 4.340 -0.002 0.000 0.267 427 L C 0.005 176.908 176.870 0.055 0.000 1.009 427 L CA 0.236 55.093 54.840 0.027 0.000 0.819 427 L CB 2.209 44.251 42.059 -0.028 0.000 1.323 427 L HN 0.684 nan 8.230 nan 0.000 0.425 428 S N 0.924 116.502 115.700 -0.203 0.000 2.532 428 S HA 0.879 5.348 4.470 -0.002 0.000 0.301 428 S C -1.238 173.038 174.600 -0.541 0.000 1.083 428 S CA -0.266 57.871 58.200 -0.104 0.000 1.025 428 S CB 0.530 63.801 63.200 0.118 0.000 1.056 428 S HN 0.285 nan 8.310 nan 0.000 0.494 429 F N 1.120 121.108 119.950 0.065 0.000 2.643 429 F HA 0.415 4.940 4.527 -0.002 0.000 0.314 429 F C -0.233 175.607 175.800 0.068 0.000 1.096 429 F CA -1.094 56.938 58.000 0.053 0.000 0.953 429 F CB 1.259 40.285 39.000 0.043 0.000 1.345 429 F HN 0.196 nan 8.300 nan 0.000 0.468 430 V N 2.520 122.593 119.914 0.264 0.000 2.484 430 V HA 0.264 4.383 4.120 -0.002 0.000 0.276 430 V C 0.924 177.112 176.094 0.157 0.000 0.976 430 V CA 1.597 64.009 62.300 0.187 0.000 1.141 430 V CB -0.505 31.413 31.823 0.158 0.000 0.975 430 V HN 1.116 nan 8.190 nan 0.000 0.466 431 G N 3.667 112.546 108.800 0.132 0.000 2.175 431 G HA2 -0.188 3.770 3.960 -0.002 0.000 0.244 431 G HA3 -0.188 3.770 3.960 -0.002 0.000 0.244 431 G C 0.024 174.968 174.900 0.074 0.000 0.982 431 G CA 0.389 45.540 45.100 0.086 0.000 0.641 431 G HN 0.917 nan 8.290 nan 0.000 0.527 432 Q N -1.607 118.267 119.800 0.123 0.000 2.693 432 Q HA 0.790 5.129 4.340 -0.002 0.000 0.306 432 Q C -1.298 174.822 176.000 0.200 0.000 0.969 432 Q CA -0.792 55.087 55.803 0.127 0.000 0.757 432 Q CB 1.486 30.284 28.738 0.100 0.000 1.494 432 Q HN 0.243 nan 8.270 nan 0.000 0.459 433 T N 0.829 115.498 114.554 0.192 0.000 3.032 433 T HA 0.542 4.890 4.350 -0.002 0.000 0.312 433 T C -1.302 173.532 174.700 0.224 0.000 1.078 433 T CA -0.843 61.391 62.100 0.224 0.000 1.028 433 T CB 1.282 70.230 68.868 0.134 0.000 1.091 433 T HN 0.350 nan 8.240 nan 0.000 0.457 434 R N 1.813 122.486 120.500 0.288 0.000 2.599 434 R HA 0.732 5.070 4.340 -0.002 0.000 0.295 434 R C -1.047 175.346 176.300 0.155 0.000 0.963 434 R CA -0.752 55.476 56.100 0.212 0.000 0.883 434 R CB 1.995 32.457 30.300 0.269 0.000 1.171 434 R HN 0.434 nan 8.270 nan 0.000 0.450 435 V N 4.455 124.417 119.914 0.080 0.000 2.483 435 V HA 0.526 4.645 4.120 -0.002 0.000 0.295 435 V C 0.100 176.203 176.094 0.015 0.000 1.035 435 V CA -0.790 61.523 62.300 0.023 0.000 0.896 435 V CB 1.854 33.640 31.823 -0.061 0.000 0.986 435 V HN 0.466 nan 8.190 nan 0.000 0.447 436 L N 5.437 126.665 121.223 0.008 0.000 2.365 436 L HA 0.655 4.994 4.340 -0.002 0.000 0.273 436 L C -0.083 176.783 176.870 -0.007 0.000 1.000 436 L CA -0.626 54.218 54.840 0.007 0.000 0.819 436 L CB 1.902 43.970 42.059 0.015 0.000 1.284 436 L HN 0.675 nan 8.230 nan 0.000 0.418 437 M N 2.766 122.366 119.600 -0.001 0.000 2.314 437 M HA 0.573 5.052 4.480 -0.002 0.000 0.342 437 M C -1.201 175.115 176.300 0.027 0.000 1.171 437 M CA -0.377 54.925 55.300 0.002 0.000 1.098 437 M CB 1.536 34.134 32.600 -0.003 0.000 1.559 437 M HN 0.456 nan 8.290 nan 0.000 0.459 438 L N 3.801 125.047 121.223 0.038 0.000 2.366 438 L HA 0.410 4.749 4.340 -0.002 0.000 0.266 438 L C -0.694 176.216 176.870 0.067 0.000 1.010 438 L CA -0.449 54.440 54.840 0.081 0.000 0.879 438 L CB 0.529 42.652 42.059 0.107 0.000 1.228 438 L HN 0.758 nan 8.230 nan 0.000 0.439 439 N N 3.537 122.272 118.700 0.059 0.000 2.801 439 N HA 0.274 5.013 4.740 -0.002 0.000 0.235 439 N C 0.898 176.423 175.510 0.026 0.000 1.069 439 N CA 0.434 53.505 53.050 0.034 0.000 0.946 439 N CB 1.885 40.386 38.487 0.023 0.000 1.212 439 N HN 0.877 nan 8.380 nan 0.000 0.509 440 G N 2.906 111.713 108.800 0.012 0.000 2.815 440 G HA2 -0.399 3.559 3.960 -0.002 0.000 0.326 440 G HA3 -0.399 3.559 3.960 -0.002 0.000 0.326 440 G C 0.625 175.480 174.900 -0.076 0.000 1.191 440 G CA 0.602 45.679 45.100 -0.040 0.000 0.965 440 G HN 0.516 nan 8.290 nan 0.000 0.564 441 E N 1.039 121.194 120.200 -0.075 0.000 2.498 441 E HA 0.329 4.678 4.350 -0.002 0.000 0.203 441 E C 0.616 177.289 176.600 0.123 0.000 1.013 441 E CA 0.314 56.670 56.400 -0.073 0.000 0.927 441 E CB 0.370 29.990 29.700 -0.134 0.000 1.012 441 E HN 0.462 nan 8.360 nan 0.000 0.482 442 E N 0.378 120.632 120.200 0.089 0.000 2.324 442 E HA 0.113 4.462 4.350 -0.002 0.000 0.271 442 E C -1.270 175.399 176.600 0.115 0.000 1.028 442 E CA -0.103 56.349 56.400 0.086 0.000 0.890 442 E CB 0.904 30.633 29.700 0.048 0.000 1.004 442 E HN -0.153 nan 8.360 nan 0.000 0.431 443 V N 5.122 125.094 119.914 0.097 0.000 2.357 443 V HA 0.409 4.528 4.120 -0.002 0.000 0.281 443 V C -0.453 175.666 176.094 0.041 0.000 1.015 443 V CA -0.619 61.722 62.300 0.069 0.000 0.827 443 V CB 1.161 33.015 31.823 0.050 0.000 1.018 443 V HN 0.768 nan 8.190 nan 0.000 0.432 444 E N 1.966 122.185 120.200 0.031 0.000 2.408 444 E HA 0.479 4.827 4.350 -0.002 0.000 0.275 444 E C -0.891 175.719 176.600 0.017 0.000 0.935 444 E CA -0.766 55.647 56.400 0.023 0.000 0.775 444 E CB 2.379 32.091 29.700 0.020 0.000 1.277 444 E HN 0.711 nan 8.360 nan 0.000 0.455 445 E N 0.716 120.925 120.200 0.015 0.000 2.360 445 E HA 0.249 4.597 4.350 -0.002 0.000 0.269 445 E C -0.947 175.655 176.600 0.005 0.000 1.022 445 E CA 0.416 56.824 56.400 0.013 0.000 0.887 445 E CB 0.684 30.390 29.700 0.010 0.000 0.990 445 E HN 0.455 nan 8.360 nan 0.000 0.426 446 T N 2.912 117.467 114.554 0.001 0.000 2.804 446 T HA 0.422 4.771 4.350 -0.002 0.000 0.290 446 T C -0.974 173.719 174.700 -0.012 0.000 1.099 446 T CA -0.995 61.099 62.100 -0.010 0.000 1.011 446 T CB 1.286 70.140 68.868 -0.023 0.000 1.291 446 T HN 0.407 nan 8.240 nan 0.000 0.523 447 E N 0.251 120.440 120.200 -0.019 0.000 2.272 447 E HA 0.572 4.920 4.350 -0.002 0.000 0.269 447 E C -1.650 174.923 176.600 -0.044 0.000 0.877 447 E CA -0.830 55.560 56.400 -0.016 0.000 0.755 447 E CB 2.444 32.145 29.700 0.003 0.000 1.192 447 E HN 0.211 nan 8.360 nan 0.000 0.422 448 L N 3.113 124.291 121.223 -0.074 0.000 2.307 448 L HA 0.384 4.723 4.340 -0.002 0.000 0.284 448 L C -0.654 176.211 176.870 -0.010 0.000 1.023 448 L CA -0.469 54.288 54.840 -0.138 0.000 0.810 448 L CB 1.384 43.178 42.059 -0.441 0.000 1.231 448 L HN 0.585 nan 8.230 nan 0.000 0.423 449 M N 4.286 123.893 119.600 0.012 0.000 2.227 449 M HA 0.265 4.744 4.480 -0.002 0.000 0.349 449 M C 1.134 177.525 176.300 0.152 0.000 1.443 449 M CA 0.939 56.280 55.300 0.069 0.000 1.110 449 M CB -0.003 32.621 32.600 0.040 0.000 1.773 449 M HN 0.906 nan 8.290 nan 0.000 0.463 450 G N 3.717 112.618 108.800 0.169 0.000 2.259 450 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.217 450 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.217 450 G C -0.242 174.780 174.900 0.204 0.000 1.001 450 G CA -0.632 44.577 45.100 0.182 0.000 0.627 450 G HN 0.509 nan 8.290 nan 0.000 0.501 451 F N 1.732 121.671 119.950 -0.018 0.000 2.404 451 F HA 0.606 5.131 4.527 -0.002 0.000 0.339 451 F C 0.896 176.681 175.800 -0.026 0.000 1.105 451 F CA -1.040 56.943 58.000 -0.030 0.000 1.087 451 F CB 1.816 40.796 39.000 -0.033 0.000 1.143 451 F HN 0.261 nan 8.300 nan 0.000 0.491 452 V N 0.014 119.971 119.914 0.073 0.000 2.481 452 V HA 0.439 4.557 4.120 -0.002 0.000 0.286 452 V C -0.258 175.871 176.094 0.058 0.000 1.042 452 V CA -0.657 61.668 62.300 0.041 0.000 0.928 452 V CB 1.497 33.310 31.823 -0.016 0.000 0.986 452 V HN 0.624 nan 8.190 nan 0.000 0.462 453 D N 1.715 122.149 120.400 0.056 0.000 2.369 453 D HA 0.069 4.708 4.640 -0.002 0.000 0.211 453 D C 0.921 177.245 176.300 0.040 0.000 1.077 453 D CA 0.622 54.658 54.000 0.061 0.000 0.842 453 D CB 0.328 41.161 40.800 0.056 0.000 0.947 453 D HN 0.894 nan 8.370 nan 0.000 0.509 454 D N -0.458 119.954 120.400 0.020 0.000 2.395 454 D HA 0.001 4.640 4.640 -0.002 0.000 0.213 454 D C 0.184 176.483 176.300 -0.001 0.000 1.110 454 D CA -0.021 53.985 54.000 0.011 0.000 0.835 454 D CB 0.499 41.301 40.800 0.004 0.000 0.965 454 D HN 0.012 nan 8.370 nan 0.000 0.505 455 Q N 0.661 120.451 119.800 -0.016 0.000 2.397 455 Q HA 0.246 4.584 4.340 -0.002 0.000 0.275 455 Q C -0.706 175.250 176.000 -0.074 0.000 1.090 455 Q CA -0.599 55.170 55.803 -0.057 0.000 0.809 455 Q CB 2.416 31.095 28.738 -0.100 0.000 1.362 455 Q HN 0.167 nan 8.270 nan 0.000 0.431 456 Q N 1.280 121.013 119.800 -0.111 0.000 2.281 456 Q HA 0.161 4.500 4.340 -0.002 0.000 0.267 456 Q C -0.758 175.022 176.000 -0.367 0.000 1.053 456 Q CA 0.228 55.958 55.803 -0.122 0.000 0.905 456 Q CB 0.598 29.325 28.738 -0.019 0.000 1.195 456 Q HN 0.442 nan 8.270 nan 0.000 0.398 457 T N 5.090 119.521 114.554 -0.205 0.000 2.901 457 T HA 0.086 4.435 4.350 -0.002 0.000 0.301 457 T C 0.079 174.699 174.700 -0.132 0.000 1.012 457 T CA -0.098 61.813 62.100 -0.314 0.000 1.135 457 T CB 0.271 68.936 68.868 -0.338 0.000 0.936 457 T HN 0.476 nan 8.240 nan 0.000 0.539 458 F N 1.220 121.114 119.950 -0.092 0.000 2.694 458 F HA 0.485 5.010 4.527 -0.002 0.000 0.292 458 F C 0.177 176.034 175.800 0.095 0.000 1.121 458 F CA -0.880 57.181 58.000 0.102 0.000 1.352 458 F CB 0.104 39.181 39.000 0.128 0.000 1.107 458 F HN 0.503 nan 8.300 nan 0.000 0.597 459 F N 0.269 119.994 119.950 -0.374 0.000 2.688 459 F HA 0.494 5.019 4.527 -0.002 0.000 0.308 459 F C -1.260 174.029 175.800 -0.852 0.000 1.117 459 F CA -1.667 55.899 58.000 -0.724 0.000 0.976 459 F CB 1.060 39.970 39.000 -0.151 0.000 1.291 459 F HN -0.018 nan 8.300 nan 0.000 0.439 460 C N 2.338 120.548 119.300 -1.817 0.000 3.239 460 C HA 1.093 5.552 4.460 -0.002 0.000 0.317 460 C C -0.311 174.076 174.990 -1.004 0.000 1.310 460 C CA -0.077 58.377 59.018 -0.941 0.000 1.371 460 C CB 1.238 28.726 27.740 -0.420 0.000 1.714 460 C HN 1.828 nan 8.230 nan 0.000 0.473 461 G N 1.400 110.019 108.800 -0.301 0.000 2.323 461 G HA2 0.434 4.393 3.960 -0.002 0.000 0.291 461 G HA3 0.434 4.393 3.960 -0.002 0.000 0.291 461 G C -2.235 172.722 174.900 0.095 0.000 1.278 461 G CA -0.961 44.086 45.100 -0.089 0.000 0.860 461 G HN 0.961 nan 8.290 nan 0.000 0.504 462 N N -0.113 118.654 118.700 0.112 0.000 2.434 462 N HA 0.566 5.305 4.740 -0.002 0.000 0.272 462 N C 0.335 175.911 175.510 0.110 0.000 1.040 462 N CA -0.226 52.886 53.050 0.103 0.000 0.956 462 N CB 2.182 40.714 38.487 0.076 0.000 1.108 462 N HN 0.772 nan 8.380 nan 0.000 0.481 463 V N -0.485 119.480 119.914 0.086 0.000 3.204 463 V HA 0.907 5.026 4.120 -0.002 0.000 0.316 463 V C 0.377 176.467 176.094 -0.007 0.000 1.160 463 V CA -1.341 60.989 62.300 0.051 0.000 1.044 463 V CB 1.028 32.887 31.823 0.061 0.000 1.136 463 V HN 0.622 nan 8.190 nan 0.000 0.455 464 A N -0.366 122.400 122.820 -0.090 0.000 2.448 464 A HA 0.509 4.827 4.320 -0.002 0.000 0.239 464 A C 0.501 177.941 177.584 -0.241 0.000 1.080 464 A CA 0.667 52.540 52.037 -0.274 0.000 0.779 464 A CB -1.075 17.623 19.000 -0.503 0.000 1.026 464 A HN 1.943 nan 8.150 nan 0.000 0.499 465 H N -1.435 117.646 119.070 0.019 0.000 2.819 465 H HA -0.098 4.456 4.556 -0.002 0.000 0.323 465 H C -0.067 175.279 175.328 0.031 0.000 1.243 465 H CA 0.566 56.630 56.048 0.026 0.000 1.163 465 H CB -2.219 27.561 29.762 0.030 0.000 1.493 465 H HN 0.810 nan 8.280 nan 0.000 0.434 466 Q N -0.963 118.886 119.800 0.081 0.000 2.431 466 Q HA -0.225 4.113 4.340 -0.002 0.000 0.344 466 Q C -0.272 175.775 176.000 0.080 0.000 1.384 466 Q CA 1.601 57.445 55.803 0.069 0.000 0.984 466 Q CB -0.632 28.146 28.738 0.067 0.000 1.204 466 Q HN 0.819 nan 8.270 nan 0.000 0.392 467 Q N -0.831 119.016 119.800 0.079 0.000 2.544 467 Q HA 0.788 5.127 4.340 -0.002 0.000 0.291 467 Q C -1.178 174.879 176.000 0.096 0.000 1.068 467 Q CA -1.217 54.640 55.803 0.090 0.000 0.785 467 Q CB 1.550 30.349 28.738 0.102 0.000 1.481 467 Q HN 0.182 nan 8.270 nan 0.000 0.430 468 L N 1.022 122.317 121.223 0.121 0.000 2.370 468 L HA 0.622 4.960 4.340 -0.002 0.000 0.266 468 L C -1.125 175.822 176.870 0.128 0.000 1.002 468 L CA -0.343 54.597 54.840 0.167 0.000 0.818 468 L CB 2.071 44.292 42.059 0.271 0.000 1.325 468 L HN 0.580 nan 8.230 nan 0.000 0.418 469 I N 1.494 122.125 120.570 0.101 0.000 2.646 469 I HA 0.498 4.667 4.170 -0.002 0.000 0.299 469 I C -1.130 174.857 176.117 -0.218 0.000 1.036 469 I CA -0.302 60.987 61.300 -0.019 0.000 1.074 469 I CB 1.781 39.825 38.000 0.074 0.000 1.258 469 I HN 0.633 nan 8.210 nan 0.000 0.430 470 Q N 7.483 127.025 119.800 -0.430 0.000 2.275 470 Q HA 0.496 4.834 4.340 -0.002 0.000 0.266 470 Q C -1.940 173.863 176.000 -0.328 0.000 1.002 470 Q CA -0.609 54.839 55.803 -0.593 0.000 0.761 470 Q CB 1.874 29.852 28.738 -1.268 0.000 1.255 470 Q HN 0.611 nan 8.270 nan 0.000 0.446 471 I N 3.454 123.897 120.570 -0.212 0.000 2.339 471 I HA 0.377 4.545 4.170 -0.002 0.000 0.290 471 I C 0.539 176.536 176.117 -0.199 0.000 0.994 471 I CA -0.403 60.837 61.300 -0.101 0.000 1.191 471 I CB 1.748 39.783 38.000 0.058 0.000 1.343 471 I HN 0.652 nan 8.210 nan 0.000 0.458 472 T N 0.473 114.891 114.554 -0.227 0.000 2.762 472 T HA 0.248 4.597 4.350 -0.002 0.000 0.272 472 T C 1.047 175.477 174.700 -0.450 0.000 0.982 472 T CA -0.025 61.815 62.100 -0.433 0.000 1.013 472 T CB 1.398 70.086 68.868 -0.299 0.000 1.309 472 T HN 0.537 nan 8.240 nan 0.000 0.572 473 S N -0.573 114.803 115.700 -0.540 0.000 2.555 473 S HA 0.223 4.691 4.470 -0.002 0.000 0.230 473 S C 1.807 176.396 174.600 -0.018 0.000 0.978 473 S CA 0.370 58.465 58.200 -0.175 0.000 0.934 473 S CB -0.704 62.438 63.200 -0.096 0.000 0.766 473 S HN 0.996 nan 8.310 nan 0.000 0.533 474 A N 1.179 123.959 122.820 -0.066 0.000 1.984 474 A HA 0.611 4.929 4.320 -0.002 0.000 0.203 474 A C 1.141 178.713 177.584 -0.021 0.000 1.292 474 A CA 0.619 52.633 52.037 -0.038 0.000 0.782 474 A CB 0.126 19.091 19.000 -0.059 0.000 0.924 474 A HN 0.887 nan 8.150 nan 0.000 0.475 475 S N -2.172 113.523 115.700 -0.009 0.000 2.661 475 S HA 0.495 4.963 4.470 -0.002 0.000 0.268 475 S C -1.302 173.340 174.600 0.070 0.000 1.162 475 S CA 0.061 58.290 58.200 0.049 0.000 0.817 475 S CB 0.895 64.091 63.200 -0.006 0.000 1.141 475 S HN 1.441 nan 8.310 nan 0.000 0.477 476 V N 1.130 121.135 119.914 0.151 0.000 2.417 476 V HA 0.781 4.899 4.120 -0.002 0.000 0.291 476 V C -1.049 175.061 176.094 0.027 0.000 1.024 476 V CA -0.555 61.786 62.300 0.069 0.000 0.861 476 V CB 1.144 33.012 31.823 0.075 0.000 0.985 476 V HN 0.939 nan 8.190 nan 0.000 0.436 477 R N 5.604 126.059 120.500 -0.076 0.000 2.393 477 R HA 0.615 4.954 4.340 -0.002 0.000 0.315 477 R C -1.288 174.950 176.300 -0.103 0.000 0.952 477 R CA -0.759 55.281 56.100 -0.101 0.000 0.842 477 R CB 1.986 32.172 30.300 -0.190 0.000 1.163 477 R HN 0.692 nan 8.270 nan 0.000 0.450 478 L N 3.505 124.710 121.223 -0.030 0.000 2.309 478 L HA 0.516 4.854 4.340 -0.002 0.000 0.282 478 L C -1.036 175.850 176.870 0.027 0.000 1.036 478 L CA -0.496 54.346 54.840 0.004 0.000 0.806 478 L CB 1.945 44.024 42.059 0.034 0.000 1.220 478 L HN 0.356 nan 8.230 nan 0.000 0.429 479 V N 3.468 123.420 119.914 0.063 0.000 2.686 479 V HA 0.500 4.618 4.120 -0.002 0.000 0.306 479 V C -0.253 175.903 176.094 0.103 0.000 1.065 479 V CA -0.666 61.697 62.300 0.104 0.000 0.894 479 V CB 2.113 34.059 31.823 0.206 0.000 1.004 479 V HN 0.909 nan 8.190 nan 0.000 0.424 480 S N 3.838 119.588 115.700 0.083 0.000 2.576 480 S HA 0.353 4.821 4.470 -0.002 0.000 0.276 480 S C -0.232 174.410 174.600 0.069 0.000 1.339 480 S CA -0.600 57.643 58.200 0.072 0.000 1.039 480 S CB 0.806 64.039 63.200 0.056 0.000 0.902 480 S HN 0.721 nan 8.310 nan 0.000 0.516 481 Q N 1.355 121.192 119.800 0.062 0.000 2.509 481 Q HA 0.380 4.718 4.340 -0.002 0.000 0.230 481 Q C 0.082 176.105 176.000 0.039 0.000 1.089 481 Q CA -0.134 55.698 55.803 0.049 0.000 0.901 481 Q CB 0.589 29.357 28.738 0.049 0.000 1.208 481 Q HN 1.017 nan 8.270 nan 0.000 0.529 482 E N 1.078 121.298 120.200 0.033 0.000 2.210 482 E HA 0.029 4.377 4.350 -0.002 0.000 0.287 482 E C -2.042 174.572 176.600 0.023 0.000 1.062 482 E CA -0.198 56.218 56.400 0.026 0.000 2.172 482 E CB -0.235 29.482 29.700 0.028 0.000 2.542 482 E HN 0.418 nan 8.360 nan 0.000 1.153 483 P HA 0.341 nan 4.420 nan 0.000 0.279 483 P C -1.285 176.033 177.300 0.031 0.000 1.252 483 P CA -0.241 62.873 63.100 0.023 0.000 0.811 483 P CB 0.825 32.538 31.700 0.022 0.000 1.035 484 K N 0.932 121.349 120.400 0.029 0.000 2.265 484 K HA 0.625 4.944 4.320 -0.002 0.000 0.242 484 K C -0.878 175.753 176.600 0.052 0.000 1.137 484 K CA -0.072 56.239 56.287 0.040 0.000 1.082 484 K CB -0.494 32.020 32.500 0.024 0.000 1.731 484 K HN 0.545 nan 8.250 nan 0.000 0.392 485 A N 2.134 124.988 122.820 0.056 0.000 2.365 485 A HA 0.509 4.828 4.320 -0.002 0.000 0.318 485 A C -1.282 176.338 177.584 0.060 0.000 1.091 485 A CA -0.894 51.174 52.037 0.052 0.000 0.763 485 A CB 0.798 19.820 19.000 0.037 0.000 1.248 485 A HN 0.548 nan 8.150 nan 0.000 0.442 486 L N 3.375 124.628 121.223 0.051 0.000 2.597 486 L HA 0.275 4.614 4.340 -0.002 0.000 0.271 486 L C 0.859 177.748 176.870 0.031 0.000 1.157 486 L CA 0.678 55.541 54.840 0.038 0.000 0.928 486 L CB 0.635 42.708 42.059 0.022 0.000 1.216 486 L HN 0.738 nan 8.230 nan 0.000 0.481 487 V N 1.224 121.159 119.914 0.035 0.000 3.578 487 V HA 0.498 4.616 4.120 -0.002 0.000 0.290 487 V C 0.568 176.681 176.094 0.032 0.000 1.376 487 V CA 0.436 62.756 62.300 0.033 0.000 1.083 487 V CB -0.494 31.353 31.823 0.039 0.000 0.911 487 V HN 0.788 nan 8.190 nan 0.000 0.433 488 S N -0.273 115.446 115.700 0.032 0.000 2.675 488 S HA 0.441 4.910 4.470 -0.002 0.000 0.297 488 S C -1.665 172.959 174.600 0.040 0.000 1.035 488 S CA -0.471 57.753 58.200 0.040 0.000 0.852 488 S CB 1.754 64.986 63.200 0.054 0.000 1.051 488 S HN 0.687 nan 8.310 nan 0.000 0.451 489 E N 2.203 122.433 120.200 0.051 0.000 2.304 489 E HA 0.457 4.806 4.350 -0.002 0.000 0.277 489 E C -1.984 174.680 176.600 0.106 0.000 0.898 489 E CA -0.564 55.871 56.400 0.058 0.000 0.764 489 E CB 1.229 30.933 29.700 0.007 0.000 1.216 489 E HN 0.584 nan 8.360 nan 0.000 0.419 490 W N 4.928 126.192 121.300 -0.060 0.000 2.587 490 W HA 0.491 5.150 4.660 -0.002 0.000 0.324 490 W C -1.159 175.304 176.519 -0.093 0.000 1.040 490 W CA -0.365 56.936 57.345 -0.073 0.000 1.222 490 W CB 1.086 30.506 29.460 -0.066 0.000 1.381 490 W HN 0.331 nan 8.180 nan 0.000 0.483 491 K N 3.638 123.521 120.400 -0.863 0.000 2.435 491 K HA 0.191 4.510 4.320 -0.002 0.000 0.251 491 K C -0.503 175.130 176.600 -1.612 0.000 0.954 491 K CA -1.211 54.538 56.287 -0.897 0.000 0.820 491 K CB 2.061 34.295 32.500 -0.444 0.000 1.292 491 K HN 0.349 nan 8.250 nan 0.000 0.436 492 E N 2.526 122.040 120.200 -1.144 0.000 2.502 492 E HA -0.051 4.298 4.350 -0.002 0.000 0.261 492 E C -1.746 174.529 176.600 -0.541 0.000 0.974 492 E CA -0.978 54.942 56.400 -0.800 0.000 0.936 492 E CB 0.633 30.169 29.700 -0.273 0.000 0.926 492 E HN 0.257 nan 8.360 nan 0.000 0.459 493 P HA -0.188 nan 4.420 nan 0.000 0.217 493 P C 0.438 177.634 177.300 -0.174 0.000 1.158 493 P CA 1.682 64.636 63.100 -0.245 0.000 0.887 493 P CB 0.172 31.798 31.700 -0.124 0.000 0.792 494 Q N -2.012 117.714 119.800 -0.124 0.000 2.247 494 Q HA 0.420 4.759 4.340 -0.002 0.000 0.205 494 Q C 0.655 176.600 176.000 -0.093 0.000 0.896 494 Q CA 0.284 56.036 55.803 -0.085 0.000 0.950 494 Q CB -0.138 28.574 28.738 -0.043 0.000 1.054 494 Q HN 0.102 nan 8.270 nan 0.000 0.482 495 A N 0.128 122.862 122.820 -0.143 0.000 2.847 495 A HA -0.269 4.049 4.320 -0.002 0.000 0.263 495 A C 0.230 177.763 177.584 -0.086 0.000 1.391 495 A CA 1.012 52.967 52.037 -0.136 0.000 0.866 495 A CB -1.617 17.319 19.000 -0.107 0.000 1.057 495 A HN 0.343 nan 8.150 nan 0.000 0.673 496 K N -0.033 120.328 120.400 -0.064 0.000 2.138 496 K HA 0.251 4.570 4.320 -0.002 0.000 0.251 496 K C 0.364 176.975 176.600 0.018 0.000 1.015 496 K CA -0.246 56.035 56.287 -0.010 0.000 0.917 496 K CB 0.215 32.726 32.500 0.019 0.000 1.021 496 K HN 0.635 nan 8.250 nan 0.000 0.485 497 N N 1.622 120.354 118.700 0.053 0.000 2.497 497 N HA 0.055 4.794 4.740 -0.002 0.000 0.268 497 N C -0.349 175.257 175.510 0.159 0.000 1.171 497 N CA -0.280 52.827 53.050 0.096 0.000 0.948 497 N CB 0.520 39.071 38.487 0.107 0.000 1.069 497 N HN 0.301 nan 8.380 nan 0.000 0.460 498 I N 1.597 122.294 120.570 0.211 0.000 2.648 498 I HA -0.092 4.077 4.170 -0.002 0.000 0.284 498 I C 1.460 177.801 176.117 0.374 0.000 1.153 498 I CA 0.249 61.730 61.300 0.300 0.000 1.426 498 I CB 0.884 39.086 38.000 0.337 0.000 1.381 498 I HN 0.687 nan 8.210 nan 0.000 0.571 499 S N 4.460 120.311 115.700 0.251 0.000 2.599 499 S HA 0.240 4.709 4.470 -0.002 0.000 0.236 499 S C 0.296 174.845 174.600 -0.085 0.000 1.077 499 S CA -0.234 58.039 58.200 0.122 0.000 0.906 499 S CB 0.425 63.681 63.200 0.092 0.000 0.804 499 S HN 0.372 nan 8.310 nan 0.000 0.497 500 V N 1.334 121.259 119.914 0.017 0.000 2.876 500 V HA 0.899 5.018 4.120 -0.002 0.000 0.312 500 V C -0.474 175.668 176.094 0.080 0.000 1.085 500 V CA -0.507 61.777 62.300 -0.028 0.000 0.945 500 V CB 1.456 33.301 31.823 0.037 0.000 1.017 500 V HN 0.647 nan 8.190 nan 0.000 0.428 501 A N 2.345 125.216 122.820 0.085 0.000 2.475 501 A HA 1.005 5.324 4.320 -0.002 0.000 0.301 501 A C -0.483 177.139 177.584 0.063 0.000 1.059 501 A CA -0.241 51.872 52.037 0.126 0.000 0.710 501 A CB 2.119 21.268 19.000 0.247 0.000 1.288 501 A HN 1.414 nan 8.150 nan 0.000 0.408 502 S N -0.655 115.029 115.700 -0.026 0.000 2.556 502 S HA 0.792 5.261 4.470 -0.002 0.000 0.271 502 S C -0.984 173.448 174.600 -0.279 0.000 1.135 502 S CA -0.652 57.471 58.200 -0.130 0.000 0.858 502 S CB 1.240 64.408 63.200 -0.054 0.000 1.114 502 S HN 2.125 nan 8.310 nan 0.000 0.468 503 C N 2.765 121.774 119.300 -0.484 0.000 3.146 503 C HA 0.709 5.167 4.460 -0.002 0.000 0.405 503 C C -0.833 173.896 174.990 -0.435 0.000 1.012 503 C CA -0.314 58.377 59.018 -0.544 0.000 1.217 503 C CB 0.388 27.572 27.740 -0.927 0.000 1.599 503 C HN 1.243 nan 8.230 nan 0.000 0.567 504 N N 1.864 120.444 118.700 -0.199 0.000 2.992 504 N HA 0.476 5.215 4.740 -0.002 0.000 0.338 504 N C 0.967 176.458 175.510 -0.032 0.000 1.376 504 N CA 0.145 53.145 53.050 -0.085 0.000 0.778 504 N CB 0.161 38.616 38.487 -0.053 0.000 1.232 504 N HN 0.564 nan 8.380 nan 0.000 0.581 505 S N -1.196 114.500 115.700 -0.007 0.000 2.371 505 S HA -0.097 4.371 4.470 -0.002 0.000 0.224 505 S C 1.445 176.019 174.600 -0.044 0.000 1.029 505 S CA 1.246 59.443 58.200 -0.005 0.000 0.978 505 S CB -0.981 62.209 63.200 -0.015 0.000 0.833 505 S HN 0.658 nan 8.310 nan 0.000 0.466 506 S N 0.191 115.856 115.700 -0.059 0.000 2.497 506 S HA 0.305 4.773 4.470 -0.002 0.000 0.218 506 S C 0.447 175.010 174.600 -0.062 0.000 1.023 506 S CA -0.609 57.540 58.200 -0.085 0.000 0.913 506 S CB -0.095 63.052 63.200 -0.088 0.000 0.800 506 S HN 0.562 nan 8.310 nan 0.000 0.505 507 Q N 0.721 120.509 119.800 -0.021 0.000 2.345 507 Q HA 0.748 5.087 4.340 -0.002 0.000 0.268 507 Q C -1.622 174.376 176.000 -0.002 0.000 1.054 507 Q CA -0.815 55.017 55.803 0.049 0.000 0.835 507 Q CB 2.735 31.546 28.738 0.120 0.000 1.339 507 Q HN 0.104 nan 8.270 nan 0.000 0.447 508 V N 1.663 121.599 119.914 0.036 0.000 2.656 508 V HA 0.517 4.635 4.120 -0.002 0.000 0.307 508 V C -0.876 175.259 176.094 0.070 0.000 1.051 508 V CA -0.758 61.529 62.300 -0.022 0.000 0.893 508 V CB 2.065 33.836 31.823 -0.086 0.000 0.999 508 V HN 0.514 nan 8.190 nan 0.000 0.426 509 V N 5.170 125.103 119.914 0.032 0.000 2.483 509 V HA 0.632 4.751 4.120 -0.002 0.000 0.297 509 V C -0.376 175.758 176.094 0.067 0.000 1.027 509 V CA -0.567 61.791 62.300 0.096 0.000 0.855 509 V CB 2.007 33.891 31.823 0.102 0.000 0.995 509 V HN 0.772 nan 8.190 nan 0.000 0.424 510 V N 2.170 122.139 119.914 0.092 0.000 2.864 510 V HA 1.053 5.171 4.120 -0.002 0.000 0.314 510 V C 0.014 176.219 176.094 0.185 0.000 1.073 510 V CA -0.808 61.565 62.300 0.122 0.000 0.956 510 V CB 1.854 33.741 31.823 0.107 0.000 1.023 510 V HN 1.020 nan 8.190 nan 0.000 0.435 511 A N 2.588 125.513 122.820 0.176 0.000 2.325 511 A HA 0.875 5.194 4.320 -0.002 0.000 0.333 511 A C -0.591 177.129 177.584 0.227 0.000 1.155 511 A CA -0.701 51.438 52.037 0.170 0.000 0.814 511 A CB 1.833 20.897 19.000 0.106 0.000 1.206 511 A HN 1.495 nan 8.150 nan 0.000 0.482 512 V N 2.902 122.961 119.914 0.241 0.000 2.380 512 V HA 0.555 4.674 4.120 -0.002 0.000 0.268 512 V C 1.028 177.203 176.094 0.135 0.000 1.008 512 V CA 0.511 62.947 62.300 0.228 0.000 0.823 512 V CB -0.329 31.693 31.823 0.333 0.000 1.053 512 V HN 2.026 nan 8.190 nan 0.000 0.446 513 G N 5.367 114.212 108.800 0.075 0.000 2.601 513 G HA2 -0.350 3.608 3.960 -0.002 0.000 0.306 513 G HA3 -0.350 3.608 3.960 -0.002 0.000 0.306 513 G C 0.914 175.815 174.900 0.003 0.000 1.172 513 G CA 1.002 46.105 45.100 0.007 0.000 0.966 513 G HN 0.575 nan 8.290 nan 0.000 0.542 514 R N 1.403 121.897 120.500 -0.010 0.000 2.223 514 R HA 0.568 4.907 4.340 -0.002 0.000 0.198 514 R C 1.619 177.873 176.300 -0.076 0.000 0.984 514 R CA 0.681 56.759 56.100 -0.036 0.000 1.018 514 R CB -0.015 30.253 30.300 -0.054 0.000 0.945 514 R HN 0.792 nan 8.270 nan 0.000 0.479 515 A N 1.419 124.222 122.820 -0.029 0.000 2.462 515 A HA 0.302 4.620 4.320 -0.002 0.000 0.243 515 A C -0.611 176.893 177.584 -0.133 0.000 1.076 515 A CA -0.000 51.987 52.037 -0.083 0.000 0.773 515 A CB 0.311 19.399 19.000 0.146 0.000 1.010 515 A HN 0.085 nan 8.150 nan 0.000 0.493 516 L N 1.950 122.919 121.223 -0.423 0.000 2.408 516 L HA 0.628 4.967 4.340 -0.002 0.000 0.268 516 L C -1.475 175.116 176.870 -0.464 0.000 0.986 516 L CA -0.183 54.434 54.840 -0.373 0.000 0.820 516 L CB 1.632 43.324 42.059 -0.611 0.000 1.303 516 L HN 0.644 nan 8.230 nan 0.000 0.411 517 Y N 3.445 123.783 120.300 0.064 0.000 2.361 517 Y HA 0.380 4.929 4.550 -0.002 0.000 0.337 517 Y C -1.085 174.935 175.900 0.199 0.000 0.965 517 Y CA -0.529 57.658 58.100 0.144 0.000 1.091 517 Y CB 1.850 40.312 38.460 0.003 0.000 1.182 517 Y HN 0.514 nan 8.280 nan 0.000 0.450 518 Y N 5.273 125.760 120.300 0.312 0.000 2.342 518 Y HA 0.711 5.260 4.550 -0.002 0.000 0.338 518 Y C -1.445 174.462 175.900 0.010 0.000 0.965 518 Y CA -0.928 57.263 58.100 0.152 0.000 1.159 518 Y CB 0.579 39.100 38.460 0.103 0.000 1.157 518 Y HN 0.509 nan 8.280 nan 0.000 0.486 519 L N 6.143 127.312 121.223 -0.089 0.000 2.342 519 L HA 0.526 4.864 4.340 -0.002 0.000 0.271 519 L C -0.678 176.037 176.870 -0.259 0.000 1.008 519 L CA -0.978 53.690 54.840 -0.286 0.000 0.818 519 L CB 2.128 43.985 42.059 -0.337 0.000 1.296 519 L HN 0.623 nan 8.230 nan 0.000 0.427 520 Q N 1.691 121.336 119.800 -0.258 0.000 2.301 520 Q HA 0.612 4.950 4.340 -0.002 0.000 0.267 520 Q C -1.149 174.737 176.000 -0.191 0.000 1.035 520 Q CA -0.795 54.890 55.803 -0.198 0.000 0.856 520 Q CB 3.122 31.769 28.738 -0.153 0.000 1.337 520 Q HN 0.487 nan 8.270 nan 0.000 0.450 521 I N 2.811 123.207 120.570 -0.290 0.000 2.307 521 I HA 0.275 4.443 4.170 -0.002 0.000 0.289 521 I C -0.351 175.599 176.117 -0.279 0.000 1.021 521 I CA -0.283 60.910 61.300 -0.178 0.000 1.224 521 I CB 0.397 38.358 38.000 -0.066 0.000 1.376 521 I HN 0.415 nan 8.210 nan 0.000 0.470 522 H N 5.673 124.812 119.070 0.114 0.000 2.855 522 H HA 0.402 4.956 4.556 -0.002 0.000 0.363 522 H C -2.479 172.797 175.328 -0.087 0.000 1.185 522 H CA -2.351 53.699 56.048 0.004 0.000 1.174 522 H CB 1.644 31.373 29.762 -0.055 0.000 1.857 522 H HN 0.177 nan 8.280 nan 0.000 0.565 523 P HA -0.031 nan 4.420 nan 0.000 0.257 523 P C -0.266 177.028 177.300 -0.011 0.000 1.189 523 P CA 0.757 63.781 63.100 -0.126 0.000 0.780 523 P CB 0.069 31.652 31.700 -0.194 0.000 0.772 524 Q N -0.114 119.704 119.800 0.030 0.000 2.450 524 Q HA -0.267 4.072 4.340 -0.002 0.000 0.255 524 Q C 0.017 176.043 176.000 0.043 0.000 1.003 524 Q CA 1.745 57.569 55.803 0.036 0.000 1.097 524 Q CB -1.892 26.859 28.738 0.021 0.000 1.544 524 Q HN 0.713 nan 8.270 nan 0.000 0.531 525 E N -0.674 119.566 120.200 0.066 0.000 2.292 525 E HA 0.552 4.901 4.350 -0.002 0.000 0.272 525 E C -1.112 175.550 176.600 0.103 0.000 0.881 525 E CA -0.993 55.454 56.400 0.079 0.000 0.754 525 E CB 1.311 31.049 29.700 0.063 0.000 1.201 525 E HN 0.161 nan 8.360 nan 0.000 0.425 526 L N 3.587 124.864 121.223 0.090 0.000 2.270 526 L HA 0.407 4.746 4.340 -0.002 0.000 0.286 526 L C 0.348 177.265 176.870 0.079 0.000 1.059 526 L CA -0.530 54.351 54.840 0.069 0.000 0.839 526 L CB 0.543 42.643 42.059 0.069 0.000 1.221 526 L HN 0.499 nan 8.230 nan 0.000 0.431 527 R N 3.687 124.239 120.500 0.086 0.000 2.220 527 R HA 0.128 4.467 4.340 -0.002 0.000 0.340 527 R C -0.014 176.269 176.300 -0.028 0.000 1.076 527 R CA -0.442 55.697 56.100 0.065 0.000 0.920 527 R CB 0.606 30.978 30.300 0.120 0.000 1.062 527 R HN 0.545 nan 8.270 nan 0.000 0.469 528 Q N 5.345 125.154 119.800 0.014 0.000 2.262 528 Q HA -0.007 4.331 4.340 -0.002 0.000 0.272 528 Q C 0.590 176.583 176.000 -0.011 0.000 1.076 528 Q CA -0.107 55.700 55.803 0.007 0.000 0.905 528 Q CB 0.678 29.552 28.738 0.226 0.000 1.182 528 Q HN 0.672 nan 8.270 nan 0.000 0.390 529 I N 1.582 122.069 120.570 -0.139 0.000 2.512 529 I HA -0.004 4.165 4.170 -0.002 0.000 0.247 529 I C 0.948 177.087 176.117 0.037 0.000 1.094 529 I CA 0.886 62.087 61.300 -0.165 0.000 1.427 529 I CB -0.807 36.849 38.000 -0.573 0.000 1.149 529 I HN 0.632 nan 8.210 nan 0.000 0.438 530 S N -0.333 115.470 115.700 0.173 0.000 2.705 530 S HA 0.554 5.022 4.470 -0.002 0.000 0.280 530 S C -0.868 174.034 174.600 0.503 0.000 1.174 530 S CA -0.676 57.733 58.200 0.347 0.000 0.823 530 S CB 3.011 66.428 63.200 0.363 0.000 1.162 530 S HN 0.442 nan 8.310 nan 0.000 0.487 531 H N -0.425 118.812 119.070 0.279 0.000 3.085 531 H HA 0.661 5.216 4.556 -0.002 0.000 0.356 531 H C -1.934 173.259 175.328 -0.225 0.000 1.178 531 H CA -0.093 55.895 56.048 -0.099 0.000 1.214 531 H CB 2.002 31.658 29.762 -0.177 0.000 1.881 531 H HN 0.870 nan 8.280 nan 0.000 0.538 532 T N 2.187 115.960 114.554 -1.301 0.000 2.816 532 T HA 0.315 4.664 4.350 -0.002 0.000 0.299 532 T C -1.546 172.549 174.700 -1.008 0.000 1.230 532 T CA -0.671 60.794 62.100 -1.057 0.000 1.007 532 T CB 1.716 70.117 68.868 -0.778 0.000 1.289 532 T HN 0.607 nan 8.240 nan 0.000 0.508 533 E N 2.232 122.087 120.200 -0.574 0.000 2.187 533 E HA 0.409 4.758 4.350 -0.002 0.000 0.268 533 E C -0.433 176.007 176.600 -0.267 0.000 0.896 533 E CA -0.827 55.363 56.400 -0.350 0.000 0.766 533 E CB 1.646 31.226 29.700 -0.200 0.000 1.142 533 E HN 0.497 nan 8.360 nan 0.000 0.408 534 M N 1.616 121.088 119.600 -0.214 0.000 2.291 534 M HA 0.171 4.649 4.480 -0.002 0.000 0.324 534 M C 1.379 177.580 176.300 -0.165 0.000 1.148 534 M CA -0.035 55.171 55.300 -0.158 0.000 1.104 534 M CB 0.236 32.779 32.600 -0.094 0.000 1.483 534 M HN 0.472 nan 8.290 nan 0.000 0.467 535 E N 0.318 120.391 120.200 -0.213 0.000 2.160 535 E HA -0.153 4.196 4.350 -0.002 0.000 0.195 535 E C -0.018 176.198 176.600 -0.641 0.000 0.991 535 E CA 1.199 57.341 56.400 -0.431 0.000 0.810 535 E CB 0.146 29.529 29.700 -0.528 0.000 0.742 535 E HN 0.472 nan 8.360 nan 0.000 0.466 536 H N -0.931 118.139 119.070 0.001 0.000 2.931 536 H HA 0.286 4.841 4.556 -0.003 0.000 0.331 536 H C -0.641 174.699 175.328 0.019 0.000 1.273 536 H CA -0.931 55.132 56.048 0.024 0.000 1.171 536 H CB 0.670 30.479 29.762 0.078 0.000 1.898 536 H HN -0.139 nan 8.280 nan 0.000 0.562 537 E N 0.705 120.989 120.200 0.140 0.000 2.413 537 E HA 0.149 4.498 4.350 -0.002 0.000 0.263 537 E C -0.686 176.044 176.600 0.217 0.000 1.015 537 E CA -0.092 56.310 56.400 0.003 0.000 0.916 537 E CB 0.627 30.086 29.700 -0.401 0.000 0.947 537 E HN 0.201 nan 8.360 nan 0.000 0.440 538 V N 4.310 124.327 119.914 0.173 0.000 2.461 538 V HA 0.261 4.380 4.120 -0.002 0.000 0.275 538 V C 0.903 177.222 176.094 0.375 0.000 1.047 538 V CA 0.540 62.978 62.300 0.230 0.000 0.955 538 V CB 0.962 32.855 31.823 0.117 0.000 0.988 538 V HN 0.907 nan 8.190 nan 0.000 0.471 539 A N 4.260 127.282 122.820 0.338 0.000 1.887 539 A HA 0.223 4.541 4.320 -0.002 0.000 0.210 539 A C 0.999 178.654 177.584 0.118 0.000 1.221 539 A CA 1.144 53.310 52.037 0.214 0.000 0.635 539 A CB 0.005 18.956 19.000 -0.083 0.000 0.881 539 A HN 0.988 nan 8.150 nan 0.000 0.456 540 C N -3.106 116.247 119.300 0.087 0.000 3.291 540 C HA 0.861 5.320 4.460 -0.002 0.000 0.316 540 C C -0.978 174.054 174.990 0.070 0.000 1.391 540 C CA -1.294 57.767 59.018 0.071 0.000 1.394 540 C CB 0.671 28.448 27.740 0.062 0.000 1.744 540 C HN 0.423 nan 8.230 nan 0.000 0.461 541 L N 0.640 121.902 121.223 0.066 0.000 2.465 541 L HA 0.754 5.093 4.340 -0.002 0.000 0.257 541 L C -1.600 175.299 176.870 0.048 0.000 0.988 541 L CA -0.048 54.825 54.840 0.055 0.000 0.827 541 L CB 2.272 44.362 42.059 0.052 0.000 1.397 541 L HN 0.961 nan 8.230 nan 0.000 0.410 542 D N 0.974 121.392 120.400 0.030 0.000 2.837 542 D HA 0.516 5.154 4.640 -0.002 0.000 0.220 542 D C -0.640 175.650 176.300 -0.017 0.000 1.236 542 D CA -0.431 53.578 54.000 0.016 0.000 0.838 542 D CB 1.904 42.728 40.800 0.040 0.000 1.647 542 D HN 0.494 nan 8.370 nan 0.000 0.486 543 I N -0.064 120.481 120.570 -0.042 0.000 3.426 543 I HA 0.355 4.523 4.170 -0.002 0.000 0.329 543 I C -0.369 175.709 176.117 -0.065 0.000 1.553 543 I CA -0.547 60.710 61.300 -0.072 0.000 1.019 543 I CB 0.860 38.800 38.000 -0.100 0.000 1.376 543 I HN 0.081 nan 8.210 nan 0.000 0.525 544 T N 4.729 119.260 114.554 -0.039 0.000 2.829 544 T HA 0.171 4.519 4.350 -0.002 0.000 0.293 544 T C -2.360 172.312 174.700 -0.046 0.000 0.970 544 T CA -0.299 61.784 62.100 -0.028 0.000 1.168 544 T CB -0.012 68.853 68.868 -0.005 0.000 0.911 544 T HN 0.226 nan 8.240 nan 0.000 0.535 545 P HA 0.342 nan 4.420 nan 0.000 0.282 545 P C -0.561 176.703 177.300 -0.060 0.000 1.262 545 P CA -0.281 62.784 63.100 -0.059 0.000 0.773 545 P CB 0.479 32.153 31.700 -0.045 0.000 0.879 546 L N 2.206 123.368 121.223 -0.102 0.000 2.322 546 L HA 0.716 5.054 4.340 -0.002 0.000 0.269 546 L C 1.360 178.143 176.870 -0.144 0.000 1.012 546 L CA -0.606 54.156 54.840 -0.130 0.000 0.815 546 L CB 1.140 43.042 42.059 -0.262 0.000 1.295 546 L HN 0.628 nan 8.230 nan 0.000 0.438 547 G N 1.202 109.982 108.800 -0.033 0.000 2.574 547 G HA2 -0.325 3.633 3.960 -0.002 0.000 0.282 547 G HA3 -0.325 3.633 3.960 -0.002 0.000 0.282 547 G C -0.265 174.641 174.900 0.011 0.000 1.257 547 G CA 0.206 45.333 45.100 0.044 0.000 0.956 547 G HN 0.747 nan 8.290 nan 0.000 0.560 548 D N 0.743 121.147 120.400 0.008 0.000 2.522 548 D HA 0.528 5.166 4.640 -0.002 0.000 0.218 548 D C 1.308 177.598 176.300 -0.016 0.000 1.149 548 D CA 0.777 54.778 54.000 0.003 0.000 0.981 548 D CB -0.130 40.678 40.800 0.012 0.000 1.041 548 D HN 0.756 nan 8.370 nan 0.000 0.518 549 S N 1.407 117.092 115.700 -0.024 0.000 2.687 549 S HA 0.074 4.543 4.470 -0.002 0.000 0.247 549 S C 0.334 174.921 174.600 -0.021 0.000 1.050 549 S CA -0.516 57.665 58.200 -0.031 0.000 1.063 549 S CB -0.068 63.100 63.200 -0.054 0.000 1.039 549 S HN 0.248 nan 8.310 nan 0.000 0.580 550 N N 1.955 120.647 118.700 -0.015 0.000 2.641 550 N HA -0.101 4.638 4.740 -0.002 0.000 0.267 550 N C 0.797 176.298 175.510 -0.016 0.000 1.087 550 N CA 1.152 54.196 53.050 -0.010 0.000 0.731 550 N CB -1.624 36.861 38.487 -0.004 0.000 0.886 550 N HN 1.154 nan 8.380 nan 0.000 0.547 551 G N -1.496 107.292 108.800 -0.020 0.000 2.186 551 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.266 551 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.266 551 G C -0.025 174.858 174.900 -0.028 0.000 0.982 551 G CA 0.684 45.770 45.100 -0.024 0.000 0.670 551 G HN 0.608 nan 8.290 nan 0.000 0.533 552 L N 1.436 122.642 121.223 -0.028 0.000 2.345 552 L HA 0.716 5.055 4.340 -0.002 0.000 0.274 552 L C 0.433 177.273 176.870 -0.051 0.000 0.999 552 L CA -0.328 54.496 54.840 -0.026 0.000 0.849 552 L CB 1.779 43.834 42.059 -0.005 0.000 1.220 552 L HN 0.136 nan 8.230 nan 0.000 0.422 553 S N 5.579 121.234 115.700 -0.075 0.000 2.481 553 S HA 0.378 4.846 4.470 -0.002 0.000 0.276 553 S C -1.656 172.856 174.600 -0.146 0.000 1.247 553 S CA -1.034 57.100 58.200 -0.110 0.000 1.053 553 S CB 0.836 63.963 63.200 -0.121 0.000 0.925 553 S HN 0.534 nan 8.310 nan 0.000 0.491 554 P HA 0.178 nan 4.420 nan 0.000 0.241 554 P C -0.539 176.651 177.300 -0.184 0.000 1.191 554 P CA 0.551 63.563 63.100 -0.148 0.000 0.771 554 P CB 0.087 31.723 31.700 -0.107 0.000 0.929 555 L N -1.195 119.924 121.223 -0.173 0.000 2.354 555 L HA 0.551 4.889 4.340 -0.002 0.000 0.269 555 L C -0.456 176.318 176.870 -0.160 0.000 1.005 555 L CA -1.103 53.644 54.840 -0.154 0.000 0.819 555 L CB 2.350 44.340 42.059 -0.115 0.000 1.311 555 L HN -0.202 nan 8.230 nan 0.000 0.423 556 C N 2.336 121.559 119.300 -0.129 0.000 2.397 556 C HA 0.834 5.292 4.460 -0.002 0.000 0.325 556 C C 0.210 175.182 174.990 -0.030 0.000 1.201 556 C CA -0.422 58.546 59.018 -0.083 0.000 1.377 556 C CB 0.448 28.142 27.740 -0.076 0.000 2.038 556 C HN 0.891 nan 8.230 nan 0.000 0.457 557 A N 6.311 129.121 122.820 -0.016 0.000 2.309 557 A HA 0.799 5.117 4.320 -0.002 0.000 0.298 557 A C -0.674 176.924 177.584 0.023 0.000 1.165 557 A CA -0.393 51.645 52.037 0.002 0.000 0.821 557 A CB 0.481 19.487 19.000 0.010 0.000 1.102 557 A HN 1.128 nan 8.150 nan 0.000 0.500 558 I N 1.540 122.126 120.570 0.026 0.000 2.722 558 I HA 0.680 4.849 4.170 -0.002 0.000 0.295 558 I C 0.013 176.153 176.117 0.039 0.000 1.161 558 I CA -0.517 60.808 61.300 0.041 0.000 1.032 558 I CB 2.216 40.244 38.000 0.047 0.000 1.244 558 I HN 0.730 nan 8.210 nan 0.000 0.421 559 G N 7.287 116.117 108.800 0.051 0.000 2.461 559 G HA2 0.696 4.655 3.960 -0.002 0.000 0.323 559 G HA3 0.696 4.655 3.960 -0.002 0.000 0.323 559 G C -1.520 173.422 174.900 0.070 0.000 1.229 559 G CA -0.552 44.573 45.100 0.042 0.000 0.941 559 G HN 0.513 nan 8.290 nan 0.000 0.477 560 L N 0.728 121.994 121.223 0.071 0.000 2.354 560 L HA 0.521 4.860 4.340 -0.002 0.000 0.269 560 L C -0.215 176.728 176.870 0.121 0.000 1.005 560 L CA -1.060 53.872 54.840 0.154 0.000 0.819 560 L CB 2.025 44.197 42.059 0.189 0.000 1.311 560 L HN 0.545 nan 8.230 nan 0.000 0.423 561 W N 1.239 122.544 121.300 0.008 0.000 1.900 561 W HA 0.166 4.825 4.660 -0.002 0.000 0.357 561 W C 1.696 178.128 176.519 -0.145 0.000 1.390 561 W CA 1.069 58.396 57.345 -0.030 0.000 1.428 561 W CB -0.045 29.417 29.460 0.004 0.000 1.295 561 W HN 0.749 nan 8.180 nan 0.000 0.666 562 T N -0.452 114.176 114.554 0.123 0.000 12.763 562 T HA -0.408 3.941 4.350 -0.002 0.000 0.419 562 T C 0.806 175.351 174.700 -0.259 0.000 1.443 562 T CA 2.140 64.174 62.100 -0.111 0.000 2.376 562 T CB -1.388 67.339 68.868 -0.236 0.000 2.832 562 T HN 0.771 nan 8.240 nan 0.000 0.739 563 D N 3.037 123.171 120.400 -0.443 0.000 2.349 563 D HA 0.215 4.853 4.640 -0.002 0.000 0.215 563 D C 0.743 176.975 176.300 -0.115 0.000 1.016 563 D CA 0.300 54.146 54.000 -0.256 0.000 0.870 563 D CB -0.600 40.082 40.800 -0.196 0.000 0.917 563 D HN 0.698 nan 8.370 nan 0.000 0.524 564 I N 1.286 121.796 120.570 -0.100 0.000 7.277 564 I HA -0.261 3.908 4.170 -0.002 0.000 0.126 564 I C -0.358 175.721 176.117 -0.064 0.000 1.720 564 I CA 0.760 62.015 61.300 -0.075 0.000 2.268 564 I CB -1.642 36.316 38.000 -0.071 0.000 3.404 564 I HN 0.277 nan 8.210 nan 0.000 0.234 565 S N 2.165 117.841 115.700 -0.040 0.000 2.568 565 S HA 0.956 5.425 4.470 -0.002 0.000 0.293 565 S C -0.322 174.261 174.600 -0.029 0.000 1.089 565 S CA -0.357 57.821 58.200 -0.036 0.000 0.945 565 S CB 2.461 65.658 63.200 -0.005 0.000 1.077 565 S HN 0.967 nan 8.310 nan 0.000 0.485 566 A N 2.836 125.620 122.820 -0.059 0.000 2.287 566 A HA 0.791 5.110 4.320 -0.002 0.000 0.317 566 A C 0.039 177.586 177.584 -0.062 0.000 1.220 566 A CA -1.011 50.990 52.037 -0.061 0.000 0.835 566 A CB 0.607 19.545 19.000 -0.104 0.000 1.180 566 A HN 0.869 nan 8.150 nan 0.000 0.500 567 R N 2.770 123.256 120.500 -0.025 0.000 2.750 567 R HA 0.647 4.985 4.340 -0.002 0.000 0.281 567 R C -1.390 174.906 176.300 -0.007 0.000 0.972 567 R CA -0.798 55.300 56.100 -0.004 0.000 0.912 567 R CB 1.206 31.513 30.300 0.011 0.000 1.187 567 R HN 0.421 nan 8.270 nan 0.000 0.464 568 I N 4.026 124.596 120.570 0.001 0.000 2.331 568 I HA 0.361 4.530 4.170 -0.002 0.000 0.292 568 I C 0.234 176.351 176.117 0.000 0.000 0.998 568 I CA -0.788 60.504 61.300 -0.013 0.000 1.267 568 I CB 1.029 39.010 38.000 -0.030 0.000 1.386 568 I HN 0.497 nan 8.210 nan 0.000 0.476 569 L N 5.263 126.481 121.223 -0.007 0.000 2.330 569 L HA 0.532 4.870 4.340 -0.002 0.000 0.271 569 L C 0.259 177.085 176.870 -0.072 0.000 1.013 569 L CA -0.976 53.865 54.840 0.001 0.000 0.816 569 L CB 1.935 44.047 42.059 0.089 0.000 1.287 569 L HN 0.491 nan 8.230 nan 0.000 0.435 570 K N 1.878 122.224 120.400 -0.090 0.000 2.205 570 K HA 0.557 4.876 4.320 -0.002 0.000 0.279 570 K C -1.204 175.210 176.600 -0.310 0.000 1.027 570 K CA -0.496 55.698 56.287 -0.155 0.000 0.932 570 K CB 0.936 33.374 32.500 -0.103 0.000 1.032 570 K HN 0.477 nan 8.250 nan 0.000 0.466 571 L N 6.257 127.257 121.223 -0.372 0.000 2.317 571 L HA 0.370 4.708 4.340 -0.002 0.000 0.281 571 L C -1.520 175.179 176.870 -0.284 0.000 1.024 571 L CA -1.769 52.736 54.840 -0.557 0.000 0.810 571 L CB 1.749 43.324 42.059 -0.808 0.000 1.240 571 L HN 0.673 nan 8.230 nan 0.000 0.427 572 P HA 0.019 nan 4.420 nan 0.000 0.257 572 P C 1.143 178.289 177.300 -0.257 0.000 1.241 572 P CA 0.171 63.167 63.100 -0.173 0.000 0.816 572 P CB 0.449 32.248 31.700 0.164 0.000 1.150 573 S N -0.407 115.194 115.700 -0.165 0.000 2.423 573 S HA -0.114 4.354 4.470 -0.002 0.000 0.231 573 S C 0.962 175.600 174.600 0.063 0.000 1.014 573 S CA 0.231 58.410 58.200 -0.033 0.000 0.965 573 S CB -1.538 61.654 63.200 -0.014 0.000 0.785 573 S HN 0.114 nan 8.310 nan 0.000 0.495 574 F N 0.865 120.787 119.950 -0.046 0.000 3.018 574 F HA -0.163 4.362 4.527 -0.003 0.000 0.287 574 F C 0.475 176.238 175.800 -0.062 0.000 0.813 574 F CA 0.620 58.579 58.000 -0.069 0.000 1.209 574 F CB -1.848 37.104 39.000 -0.081 0.000 1.321 574 F HN 0.404 nan 8.300 nan 0.000 0.477 575 E N 1.703 121.941 120.200 0.063 0.000 2.344 575 E HA 0.206 4.555 4.350 -0.002 0.000 0.270 575 E C 0.165 176.777 176.600 0.020 0.000 1.021 575 E CA -0.474 55.945 56.400 0.031 0.000 0.887 575 E CB 0.678 30.380 29.700 0.002 0.000 0.997 575 E HN 0.310 nan 8.360 nan 0.000 0.429 576 L N 6.371 127.601 121.223 0.012 0.000 2.500 576 L HA -0.047 4.292 4.340 -0.002 0.000 0.272 576 L C 1.013 177.879 176.870 -0.005 0.000 1.149 576 L CA 0.047 54.888 54.840 0.001 0.000 0.897 576 L CB 0.383 42.433 42.059 -0.014 0.000 1.178 576 L HN 0.756 nan 8.230 nan 0.000 0.473 577 L N 3.615 124.841 121.223 0.005 0.000 2.221 577 L HA 0.109 4.447 4.340 -0.002 0.000 0.202 577 L C 0.327 177.229 176.870 0.053 0.000 1.074 577 L CA 0.163 55.013 54.840 0.016 0.000 0.795 577 L CB 0.022 42.087 42.059 0.010 0.000 0.960 577 L HN 0.596 nan 8.230 nan 0.000 0.458 578 H N -0.424 118.612 119.070 -0.057 0.000 2.947 578 H HA 0.354 4.909 4.556 -0.003 0.000 0.354 578 H C -1.045 174.234 175.328 -0.083 0.000 1.085 578 H CA -0.836 55.168 56.048 -0.073 0.000 1.253 578 H CB 1.628 31.332 29.762 -0.096 0.000 1.757 578 H HN -0.168 nan 8.280 nan 0.000 0.523 579 K N 3.613 123.890 120.400 -0.206 0.000 2.274 579 K HA 0.377 4.696 4.320 -0.002 0.000 0.262 579 K C -1.193 175.353 176.600 -0.089 0.000 0.961 579 K CA -0.726 55.508 56.287 -0.088 0.000 0.833 579 K CB 1.477 33.922 32.500 -0.092 0.000 1.102 579 K HN 0.515 nan 8.250 nan 0.000 0.436 580 E N 4.788 124.993 120.200 0.007 0.000 2.185 580 E HA 0.237 4.586 4.350 -0.002 0.000 0.261 580 E C -1.045 175.514 176.600 -0.069 0.000 0.879 580 E CA -0.654 55.735 56.400 -0.019 0.000 0.756 580 E CB 0.877 30.491 29.700 -0.143 0.000 1.152 580 E HN 0.523 nan 8.360 nan 0.000 0.416 581 M N 5.883 125.448 119.600 -0.057 0.000 2.120 581 M HA 0.206 4.685 4.480 -0.002 0.000 0.354 581 M C 0.422 176.647 176.300 -0.125 0.000 1.287 581 M CA 0.049 55.306 55.300 -0.072 0.000 1.103 581 M CB 0.503 33.076 32.600 -0.046 0.000 1.623 581 M HN 0.749 nan 8.290 nan 0.000 0.471 582 L N 1.915 123.029 121.223 -0.181 0.000 2.249 582 L HA 0.298 4.636 4.340 -0.002 0.000 0.207 582 L C 1.132 177.869 176.870 -0.221 0.000 1.090 582 L CA 0.343 54.958 54.840 -0.374 0.000 0.802 582 L CB -0.118 41.708 42.059 -0.389 0.000 0.947 582 L HN 0.985 nan 8.230 nan 0.000 0.453 583 G N -0.915 107.833 108.800 -0.088 0.000 2.662 583 G HA2 0.289 4.247 3.960 -0.002 0.000 0.686 583 G HA3 0.289 4.247 3.960 -0.002 0.000 0.686 583 G C 0.024 174.932 174.900 0.013 0.000 1.271 583 G CA -0.563 44.528 45.100 -0.015 0.000 0.816 583 G HN 0.683 nan 8.290 nan 0.000 0.608 584 G N -0.427 108.383 108.800 0.016 0.000 2.725 584 G HA2 0.182 4.141 3.960 -0.002 0.000 0.220 584 G HA3 0.182 4.141 3.960 -0.002 0.000 0.220 584 G C 0.177 175.075 174.900 -0.003 0.000 1.357 584 G CA 0.795 45.904 45.100 0.016 0.000 0.866 584 G HN 1.651 nan 8.290 nan 0.000 0.548 585 E N -0.472 119.724 120.200 -0.006 0.000 2.624 585 E HA 0.262 4.611 4.350 -0.002 0.000 0.210 585 E C 0.201 176.779 176.600 -0.036 0.000 0.997 585 E CA -0.401 55.990 56.400 -0.016 0.000 0.999 585 E CB 0.608 30.306 29.700 -0.002 0.000 1.040 585 E HN 0.345 nan 8.360 nan 0.000 0.469 586 I N 2.832 123.378 120.570 -0.040 0.000 2.339 586 I HA 0.267 4.436 4.170 -0.002 0.000 0.290 586 I C 0.537 176.589 176.117 -0.108 0.000 0.994 586 I CA -1.248 60.011 61.300 -0.069 0.000 1.191 586 I CB 0.346 38.326 38.000 -0.034 0.000 1.343 586 I HN 0.072 nan 8.210 nan 0.000 0.458 587 I N 5.783 126.221 120.570 -0.220 0.000 2.779 587 I HA 0.392 4.560 4.170 -0.002 0.000 0.285 587 I C -2.341 173.656 176.117 -0.200 0.000 1.134 587 I CA -1.671 59.446 61.300 -0.305 0.000 1.398 587 I CB -0.106 37.472 38.000 -0.703 0.000 1.404 587 I HN 0.282 nan 8.210 nan 0.000 0.587 588 P HA 0.175 nan 4.420 nan 0.000 0.268 588 P C -0.453 176.794 177.300 -0.089 0.000 1.205 588 P CA -0.125 62.940 63.100 -0.058 0.000 0.771 588 P CB 0.770 32.461 31.700 -0.015 0.000 0.858 589 R N 0.388 120.872 120.500 -0.027 0.000 2.453 589 R HA 0.296 4.635 4.340 -0.002 0.000 0.233 589 R C -0.174 176.150 176.300 0.041 0.000 0.895 589 R CA 0.226 56.317 56.100 -0.015 0.000 1.028 589 R CB 0.635 30.923 30.300 -0.020 0.000 1.255 589 R HN 0.429 nan 8.270 nan 0.000 0.571 590 S N 0.054 115.792 115.700 0.064 0.000 2.566 590 S HA 0.518 4.987 4.470 -0.002 0.000 0.273 590 S C -1.600 173.068 174.600 0.113 0.000 1.157 590 S CA -0.640 57.617 58.200 0.095 0.000 0.938 590 S CB 1.152 64.414 63.200 0.103 0.000 1.087 590 S HN 0.210 nan 8.310 nan 0.000 0.474 591 I N 4.326 124.964 120.570 0.114 0.000 2.686 591 I HA 0.791 4.960 4.170 -0.002 0.000 0.295 591 I C -1.988 174.200 176.117 0.119 0.000 1.114 591 I CA -0.942 60.431 61.300 0.122 0.000 1.038 591 I CB 1.797 39.855 38.000 0.095 0.000 1.238 591 I HN 0.663 nan 8.210 nan 0.000 0.420 592 L N 7.251 128.554 121.223 0.134 0.000 2.549 592 L HA 0.547 4.885 4.340 -0.002 0.000 0.259 592 L C -1.713 175.228 176.870 0.119 0.000 0.934 592 L CA -0.270 54.641 54.840 0.118 0.000 0.865 592 L CB 2.163 44.301 42.059 0.131 0.000 1.352 592 L HN 0.548 nan 8.230 nan 0.000 0.410 593 M N 4.107 123.753 119.600 0.077 0.000 2.180 593 M HA 0.663 5.142 4.480 -0.002 0.000 0.350 593 M C -0.550 175.772 176.300 0.037 0.000 1.125 593 M CA -0.328 55.014 55.300 0.070 0.000 1.031 593 M CB 1.621 34.234 32.600 0.023 0.000 1.623 593 M HN 0.737 nan 8.290 nan 0.000 0.451 594 T N -0.919 113.660 114.554 0.043 0.000 2.883 594 T HA 0.612 4.961 4.350 -0.002 0.000 0.301 594 T C -0.528 174.142 174.700 -0.051 0.000 1.158 594 T CA -0.952 61.085 62.100 -0.105 0.000 1.007 594 T CB 1.861 70.503 68.868 -0.377 0.000 1.186 594 T HN 0.476 nan 8.240 nan 0.000 0.499 595 T N 1.902 116.364 114.554 -0.153 0.000 2.770 595 T HA 0.587 4.936 4.350 -0.002 0.000 0.283 595 T C -1.099 173.458 174.700 -0.239 0.000 0.988 595 T CA -0.403 61.675 62.100 -0.037 0.000 0.957 595 T CB 0.035 68.953 68.868 0.084 0.000 0.930 595 T HN 0.506 nan 8.240 nan 0.000 0.443 596 F N 1.861 121.929 119.950 0.197 0.000 2.427 596 F HA 0.341 4.867 4.527 -0.003 0.000 0.348 596 F C 0.854 176.731 175.800 0.128 0.000 1.125 596 F CA -0.935 57.123 58.000 0.096 0.000 0.989 596 F CB 1.109 40.084 39.000 -0.040 0.000 1.165 596 F HN 0.646 nan 8.300 nan 0.000 0.442 597 E N 2.041 122.380 120.200 0.231 0.000 2.230 597 E HA -0.283 4.066 4.350 -0.002 0.000 0.206 597 E C 0.695 177.385 176.600 0.150 0.000 1.309 597 E CA 0.565 57.062 56.400 0.162 0.000 0.697 597 E CB -1.040 28.729 29.700 0.115 0.000 1.146 597 E HN 0.935 nan 8.360 nan 0.000 0.363 598 S N -2.887 112.842 115.700 0.048 0.000 3.270 598 S HA -0.300 4.169 4.470 -0.002 0.000 0.330 598 S C 0.165 174.627 174.600 -0.230 0.000 1.222 598 S CA 1.409 59.566 58.200 -0.071 0.000 0.971 598 S CB -1.378 61.809 63.200 -0.021 0.000 1.007 598 S HN 0.411 nan 8.310 nan 0.000 0.614 599 S N 2.335 117.952 115.700 -0.138 0.000 2.451 599 S HA 0.562 5.031 4.470 -0.002 0.000 0.301 599 S C -0.267 174.158 174.600 -0.291 0.000 1.116 599 S CA -0.754 57.297 58.200 -0.249 0.000 1.093 599 S CB 0.602 63.763 63.200 -0.064 0.000 1.017 599 S HN 0.491 nan 8.310 nan 0.000 0.482 600 H N 2.069 121.063 119.070 -0.127 0.000 2.502 600 H HA 0.421 4.976 4.556 -0.002 0.000 0.327 600 H C -0.993 174.224 175.328 -0.186 0.000 1.099 600 H CA 0.048 56.054 56.048 -0.069 0.000 1.323 600 H CB 0.505 30.238 29.762 -0.049 0.000 1.450 600 H HN 0.556 nan 8.280 nan 0.000 0.502 601 Y N 0.740 121.166 120.300 0.209 0.000 2.570 601 Y HA 0.291 4.840 4.550 -0.002 0.000 0.345 601 Y C -0.179 175.845 175.900 0.206 0.000 1.014 601 Y CA -0.939 57.302 58.100 0.236 0.000 1.063 601 Y CB 2.247 40.889 38.460 0.304 0.000 1.272 601 Y HN 0.348 nan 8.280 nan 0.000 0.477 602 L N 4.246 125.738 121.223 0.448 0.000 2.356 602 L HA 0.591 4.929 4.340 -0.002 0.000 0.277 602 L C -1.742 175.420 176.870 0.486 0.000 0.996 602 L CA -0.617 54.438 54.840 0.358 0.000 0.822 602 L CB 1.122 43.318 42.059 0.229 0.000 1.256 602 L HN 0.636 nan 8.230 nan 0.000 0.413 603 L N 5.064 126.511 121.223 0.373 0.000 2.329 603 L HA 0.546 4.884 4.340 -0.002 0.000 0.279 603 L C -0.535 176.532 176.870 0.327 0.000 1.014 603 L CA -0.487 54.579 54.840 0.377 0.000 0.814 603 L CB 2.039 44.275 42.059 0.295 0.000 1.257 603 L HN 0.591 nan 8.230 nan 0.000 0.424 604 C N 3.204 122.729 119.300 0.375 0.000 2.446 604 C HA 0.830 5.289 4.460 -0.002 0.000 0.329 604 C C 0.026 175.196 174.990 0.299 0.000 1.166 604 C CA -0.393 58.813 59.018 0.314 0.000 1.341 604 C CB 0.621 28.562 27.740 0.335 0.000 1.970 604 C HN 0.904 nan 8.230 nan 0.000 0.452 605 A N 6.773 129.713 122.820 0.200 0.000 2.304 605 A HA 0.781 5.100 4.320 -0.002 0.000 0.323 605 A C -0.588 177.064 177.584 0.113 0.000 1.195 605 A CA -0.423 51.701 52.037 0.144 0.000 0.826 605 A CB 0.547 19.607 19.000 0.100 0.000 1.184 605 A HN 0.920 nan 8.150 nan 0.000 0.496 606 L N 1.886 123.173 121.223 0.106 0.000 2.431 606 L HA 0.439 4.778 4.340 -0.002 0.000 0.260 606 L C 1.726 178.600 176.870 0.007 0.000 1.098 606 L CA -0.395 54.483 54.840 0.063 0.000 0.800 606 L CB 0.853 42.974 42.059 0.104 0.000 1.210 606 L HN 0.853 nan 8.230 nan 0.000 0.465 607 G N -0.259 108.524 108.800 -0.028 0.000 2.625 607 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.214 607 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.214 607 G C 0.727 175.608 174.900 -0.032 0.000 1.132 607 G CA 0.477 45.551 45.100 -0.042 0.000 0.782 607 G HN 0.853 nan 8.290 nan 0.000 0.538 608 D N -1.112 119.274 120.400 -0.023 0.000 2.368 608 D HA 0.223 4.861 4.640 -0.002 0.000 0.218 608 D C 1.562 177.840 176.300 -0.037 0.000 1.112 608 D CA 0.421 54.406 54.000 -0.026 0.000 0.834 608 D CB -0.229 40.560 40.800 -0.018 0.000 0.953 608 D HN 0.361 nan 8.370 nan 0.000 0.505 609 G N 0.100 108.876 108.800 -0.040 0.000 2.241 609 G HA2 -0.199 3.759 3.960 -0.002 0.000 0.244 609 G HA3 -0.199 3.759 3.960 -0.002 0.000 0.244 609 G C 0.604 175.452 174.900 -0.086 0.000 0.998 609 G CA 0.139 45.204 45.100 -0.058 0.000 0.621 609 G HN 0.823 nan 8.290 nan 0.000 0.519 610 A N -0.146 122.620 122.820 -0.091 0.000 2.445 610 A HA 0.682 5.001 4.320 -0.002 0.000 0.242 610 A C -0.047 177.446 177.584 -0.152 0.000 1.075 610 A CA 0.934 52.865 52.037 -0.176 0.000 0.777 610 A CB 0.840 19.728 19.000 -0.186 0.000 1.013 610 A HN 1.658 nan 8.150 nan 0.000 0.493 611 L N 2.109 123.174 121.223 -0.264 0.000 2.406 611 L HA 0.723 5.062 4.340 -0.002 0.000 0.272 611 L C -1.522 175.209 176.870 -0.232 0.000 0.980 611 L CA -0.221 54.552 54.840 -0.112 0.000 0.831 611 L CB 1.145 43.189 42.059 -0.025 0.000 1.253 611 L HN 0.571 nan 8.230 nan 0.000 0.406 612 F N 5.030 125.028 119.950 0.081 0.000 2.421 612 F HA 0.564 5.089 4.527 -0.003 0.000 0.337 612 F C -0.377 175.469 175.800 0.077 0.000 1.105 612 F CA -0.206 57.775 58.000 -0.033 0.000 1.049 612 F CB 1.230 40.234 39.000 0.007 0.000 1.139 612 F HN 0.465 nan 8.300 nan 0.000 0.479 613 Y N 0.570 120.812 120.300 -0.097 0.000 2.499 613 Y HA 0.847 5.395 4.550 -0.002 0.000 0.347 613 Y C -1.858 173.892 175.900 -0.249 0.000 0.987 613 Y CA -2.071 56.039 58.100 0.017 0.000 1.044 613 Y CB 1.344 39.901 38.460 0.162 0.000 1.245 613 Y HN 0.397 nan 8.280 nan 0.000 0.461 614 F N 0.642 120.816 119.950 0.373 0.000 2.599 614 F HA 0.716 5.241 4.527 -0.003 0.000 0.311 614 F C 0.542 176.473 175.800 0.219 0.000 1.076 614 F CA -1.386 56.732 58.000 0.197 0.000 0.937 614 F CB 2.227 41.273 39.000 0.076 0.000 1.282 614 F HN 0.888 nan 8.300 nan 0.000 0.460 615 G N 1.337 110.281 108.800 0.241 0.000 2.403 615 G HA2 0.471 4.430 3.960 -0.002 0.000 0.259 615 G HA3 0.471 4.430 3.960 -0.002 0.000 0.259 615 G C -1.690 173.229 174.900 0.032 0.000 1.244 615 G CA -0.233 44.865 45.100 -0.003 0.000 0.849 615 G HN 0.542 nan 8.290 nan 0.000 0.532 616 L N 2.250 123.467 121.223 -0.009 0.000 2.349 616 L HA 0.426 4.765 4.340 -0.002 0.000 0.278 616 L C -0.331 176.545 176.870 0.010 0.000 0.996 616 L CA -0.980 53.864 54.840 0.007 0.000 0.825 616 L CB 1.710 43.795 42.059 0.043 0.000 1.243 616 L HN 0.533 nan 8.230 nan 0.000 0.412 617 N N 5.223 123.912 118.700 -0.018 0.000 2.414 617 N HA 0.176 4.915 4.740 -0.002 0.000 0.256 617 N C 0.992 176.477 175.510 -0.042 0.000 1.029 617 N CA -0.228 52.816 53.050 -0.009 0.000 0.948 617 N CB 0.967 39.447 38.487 -0.011 0.000 1.102 617 N HN 0.867 nan 8.380 nan 0.000 0.496 618 I N 0.670 121.198 120.570 -0.070 0.000 3.564 618 I HA 0.085 4.254 4.170 -0.002 0.000 0.294 618 I C 0.865 176.927 176.117 -0.090 0.000 1.289 618 I CA 0.450 61.672 61.300 -0.131 0.000 1.325 618 I CB 0.119 37.952 38.000 -0.278 0.000 1.039 618 I HN 0.425 nan 8.210 nan 0.000 0.474 619 E N 1.480 121.647 120.200 -0.055 0.000 2.175 619 E HA -0.045 4.304 4.350 -0.002 0.000 0.195 619 E C 2.022 178.601 176.600 -0.034 0.000 0.934 619 E CA 1.253 57.628 56.400 -0.042 0.000 0.870 619 E CB 0.138 29.822 29.700 -0.026 0.000 0.838 619 E HN 0.616 nan 8.360 nan 0.000 0.474 620 T N -2.533 112.006 114.554 -0.025 0.000 3.057 620 T HA 0.203 4.552 4.350 -0.002 0.000 0.254 620 T C 1.581 176.274 174.700 -0.012 0.000 1.094 620 T CA 0.412 62.504 62.100 -0.014 0.000 1.088 620 T CB 0.493 69.360 68.868 -0.002 0.000 0.934 620 T HN 0.267 nan 8.240 nan 0.000 0.497 621 G N 1.328 110.111 108.800 -0.028 0.000 2.198 621 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.260 621 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.260 621 G C -0.192 174.688 174.900 -0.034 0.000 1.025 621 G CA 0.223 45.301 45.100 -0.035 0.000 0.769 621 G HN 0.785 nan 8.290 nan 0.000 0.507 622 L N 0.543 121.745 121.223 -0.035 0.000 2.305 622 L HA 0.730 5.068 4.340 -0.002 0.000 0.281 622 L C 0.314 177.076 176.870 -0.180 0.000 1.085 622 L CA -0.706 54.107 54.840 -0.045 0.000 0.813 622 L CB 0.780 42.849 42.059 0.017 0.000 1.157 622 L HN 0.147 nan 8.230 nan 0.000 0.436 623 L N 5.363 126.299 121.223 -0.478 0.000 2.295 623 L HA 0.653 4.992 4.340 -0.002 0.000 0.285 623 L C 0.074 176.874 176.870 -0.117 0.000 1.035 623 L CA -0.346 54.255 54.840 -0.398 0.000 0.806 623 L CB 1.438 43.007 42.059 -0.816 0.000 1.214 623 L HN 0.854 nan 8.230 nan 0.000 0.426 624 S N -0.012 115.731 115.700 0.072 0.000 2.661 624 S HA 0.460 4.929 4.470 -0.002 0.000 0.285 624 S C -0.822 173.860 174.600 0.137 0.000 1.138 624 S CA -0.886 57.377 58.200 0.106 0.000 0.855 624 S CB 2.014 65.242 63.200 0.047 0.000 1.136 624 S HN 0.695 nan 8.310 nan 0.000 0.484 625 D N 0.533 120.979 120.400 0.077 0.000 2.735 625 D HA -0.157 4.481 4.640 -0.002 0.000 0.235 625 D C -0.008 176.245 176.300 -0.079 0.000 1.175 625 D CA 0.804 54.813 54.000 0.015 0.000 0.683 625 D CB -0.763 40.050 40.800 0.020 0.000 1.008 625 D HN 0.678 nan 8.370 nan 0.000 0.416 626 R N 1.311 121.763 120.500 -0.081 0.000 2.446 626 R HA 0.079 4.417 4.340 -0.002 0.000 0.314 626 R C -0.058 176.016 176.300 -0.377 0.000 1.003 626 R CA 0.489 56.380 56.100 -0.348 0.000 1.018 626 R CB 0.484 30.740 30.300 -0.073 0.000 0.945 626 R HN 0.074 nan 8.270 nan 0.000 0.419 627 K N 4.106 124.113 120.400 -0.656 0.000 2.375 627 K HA 0.317 4.636 4.320 -0.002 0.000 0.249 627 K C -1.030 175.202 176.600 -0.612 0.000 0.942 627 K CA -0.923 54.968 56.287 -0.662 0.000 0.806 627 K CB 2.453 34.346 32.500 -1.013 0.000 1.227 627 K HN 0.412 nan 8.250 nan 0.000 0.430 628 K N 2.075 122.223 120.400 -0.420 0.000 2.378 628 K HA 0.480 4.799 4.320 -0.002 0.000 0.252 628 K C -1.149 175.227 176.600 -0.372 0.000 0.931 628 K CA -0.698 55.282 56.287 -0.512 0.000 0.794 628 K CB 1.729 33.842 32.500 -0.645 0.000 1.181 628 K HN 0.505 nan 8.250 nan 0.000 0.425 629 V N -0.578 119.098 119.914 -0.397 0.000 3.078 629 V HA 0.599 4.718 4.120 -0.002 0.000 0.311 629 V C -0.632 175.242 176.094 -0.368 0.000 1.138 629 V CA -0.772 61.292 62.300 -0.394 0.000 1.007 629 V CB 1.704 33.161 31.823 -0.609 0.000 1.045 629 V HN 0.723 nan 8.190 nan 0.000 0.432 630 T N 4.191 118.566 114.554 -0.299 0.000 2.837 630 T HA 0.718 5.067 4.350 -0.002 0.000 0.285 630 T C -0.192 174.377 174.700 -0.218 0.000 0.984 630 T CA -0.189 61.774 62.100 -0.228 0.000 1.049 630 T CB 0.871 69.638 68.868 -0.169 0.000 0.947 630 T HN 0.667 nan 8.240 nan 0.000 0.472 631 L N 3.114 124.235 121.223 -0.170 0.000 2.529 631 L HA 0.566 4.904 4.340 -0.002 0.000 0.246 631 L C 0.933 177.747 176.870 -0.093 0.000 1.394 631 L CA -0.690 54.070 54.840 -0.133 0.000 0.906 631 L CB 0.033 42.023 42.059 -0.117 0.000 1.170 631 L HN 1.016 nan 8.230 nan 0.000 0.501 632 G N 1.245 109.993 108.800 -0.087 0.000 2.681 632 G HA2 -0.265 3.693 3.960 -0.002 0.000 0.220 632 G HA3 -0.265 3.693 3.960 -0.002 0.000 0.220 632 G C 0.399 175.262 174.900 -0.062 0.000 1.353 632 G CA 0.108 45.168 45.100 -0.067 0.000 0.872 632 G HN 0.522 nan 8.290 nan 0.000 0.557 633 T N -3.035 111.489 114.554 -0.049 0.000 2.958 633 T HA 0.359 4.708 4.350 -0.002 0.000 0.256 633 T C 0.803 175.481 174.700 -0.036 0.000 0.983 633 T CA 0.923 62.998 62.100 -0.042 0.000 0.924 633 T CB 0.368 69.215 68.868 -0.035 0.000 1.136 633 T HN 0.650 nan 8.240 nan 0.000 0.506 634 Q N 2.655 122.433 119.800 -0.037 0.000 2.312 634 Q HA 0.374 4.713 4.340 -0.002 0.000 0.236 634 Q C -2.558 173.419 176.000 -0.038 0.000 0.965 634 Q CA -2.488 53.294 55.803 -0.036 0.000 0.894 634 Q CB 0.582 29.296 28.738 -0.041 0.000 1.225 634 Q HN 0.253 nan 8.270 nan 0.000 0.478 635 P HA -0.013 nan 4.420 nan 0.000 0.265 635 P C -0.632 176.648 177.300 -0.034 0.000 1.193 635 P CA 0.249 63.331 63.100 -0.030 0.000 0.765 635 P CB 0.313 31.997 31.700 -0.027 0.000 0.823 636 T N 2.522 117.068 114.554 -0.013 0.000 2.806 636 T HA 0.300 4.648 4.350 -0.002 0.000 0.290 636 T C 0.202 174.914 174.700 0.021 0.000 0.966 636 T CA -0.381 61.719 62.100 -0.001 0.000 1.060 636 T CB 0.657 69.536 68.868 0.017 0.000 0.927 636 T HN 0.081 nan 8.240 nan 0.000 0.485 637 V N 5.102 125.025 119.914 0.014 0.000 2.394 637 V HA 0.409 4.528 4.120 -0.002 0.000 0.282 637 V C 0.021 176.187 176.094 0.119 0.000 1.031 637 V CA -0.813 61.521 62.300 0.058 0.000 0.881 637 V CB 1.019 32.844 31.823 0.004 0.000 0.982 637 V HN 0.709 nan 8.190 nan 0.000 0.451 638 L N 5.570 126.882 121.223 0.147 0.000 2.325 638 L HA 0.741 5.079 4.340 -0.002 0.000 0.279 638 L C 0.148 177.141 176.870 0.205 0.000 1.054 638 L CA -0.509 54.442 54.840 0.184 0.000 0.804 638 L CB 1.265 43.428 42.059 0.173 0.000 1.200 638 L HN 0.461 nan 8.230 nan 0.000 0.436 639 R N 1.157 121.812 120.500 0.257 0.000 2.508 639 R HA 0.244 4.582 4.340 -0.002 0.000 0.283 639 R C -0.942 175.560 176.300 0.337 0.000 1.120 639 R CA -0.456 55.796 56.100 0.253 0.000 0.958 639 R CB 2.128 32.543 30.300 0.191 0.000 1.215 639 R HN 0.672 nan 8.270 nan 0.000 0.427 640 T N 3.770 118.478 114.554 0.257 0.000 2.918 640 T HA 0.575 4.923 4.350 -0.002 0.000 0.302 640 T C -0.368 174.534 174.700 0.337 0.000 1.045 640 T CA 0.069 62.303 62.100 0.224 0.000 1.114 640 T CB 0.055 68.978 68.868 0.093 0.000 0.965 640 T HN 0.382 nan 8.240 nan 0.000 0.540 641 F N 1.975 121.980 119.950 0.093 0.000 2.678 641 F HA 0.704 5.230 4.527 -0.002 0.000 0.308 641 F C -0.945 174.893 175.800 0.065 0.000 1.118 641 F CA -1.522 56.522 58.000 0.072 0.000 0.959 641 F CB 1.158 40.201 39.000 0.071 0.000 1.305 641 F HN 0.267 nan 8.300 nan 0.000 0.443 642 R N 2.060 122.628 120.500 0.114 0.000 2.368 642 R HA 0.634 4.972 4.340 -0.002 0.000 0.302 642 R C -0.996 175.373 176.300 0.116 0.000 1.002 642 R CA -0.553 55.560 56.100 0.020 0.000 0.929 642 R CB 1.503 31.831 30.300 0.047 0.000 1.073 642 R HN 0.918 nan 8.270 nan 0.000 0.464 643 S N 1.601 117.318 115.700 0.028 0.000 2.668 643 S HA 0.289 4.757 4.470 -0.002 0.000 0.277 643 S C 0.055 174.672 174.600 0.028 0.000 1.170 643 S CA -0.885 57.369 58.200 0.089 0.000 0.994 643 S CB 0.856 64.157 63.200 0.169 0.000 1.051 643 S HN 0.688 nan 8.310 nan 0.000 0.484 644 L N 2.692 123.936 121.223 0.034 0.000 3.879 644 L HA -0.263 4.076 4.340 -0.002 0.000 0.481 644 L C 0.930 177.807 176.870 0.011 0.000 1.232 644 L CA 0.586 55.437 54.840 0.018 0.000 0.736 644 L CB -2.278 39.788 42.059 0.011 0.000 1.511 644 L HN 1.551 nan 8.230 nan 0.000 0.830 645 S N -1.748 113.961 115.700 0.015 0.000 3.486 645 S HA -0.209 4.260 4.470 -0.002 0.000 0.371 645 S C 0.327 174.928 174.600 0.002 0.000 1.001 645 S CA 1.245 59.451 58.200 0.010 0.000 1.164 645 S CB -1.993 61.215 63.200 0.014 0.000 0.911 645 S HN 1.184 nan 8.310 nan 0.000 0.472 646 T N -2.633 111.912 114.554 -0.015 0.000 2.909 646 T HA 0.674 5.022 4.350 -0.002 0.000 0.299 646 T C -0.421 174.235 174.700 -0.073 0.000 1.073 646 T CA -0.448 61.638 62.100 -0.023 0.000 0.999 646 T CB 1.893 70.754 68.868 -0.012 0.000 1.098 646 T HN 0.248 nan 8.240 nan 0.000 0.477 647 T N 3.678 118.192 114.554 -0.066 0.000 2.817 647 T HA 0.527 4.876 4.350 -0.002 0.000 0.293 647 T C -0.228 174.413 174.700 -0.098 0.000 0.964 647 T CA -0.417 61.598 62.100 -0.141 0.000 1.085 647 T CB 0.112 68.881 68.868 -0.165 0.000 0.921 647 T HN 0.740 nan 8.240 nan 0.000 0.502 648 N N 0.693 119.190 118.700 -0.338 0.000 2.577 648 N HA 0.713 5.451 4.740 -0.002 0.000 0.285 648 N C -1.522 173.897 175.510 -0.151 0.000 1.309 648 N CA -0.898 52.023 53.050 -0.214 0.000 0.798 648 N CB 1.572 39.662 38.487 -0.661 0.000 1.463 648 N HN 0.264 nan 8.380 nan 0.000 0.518 649 V N 1.208 121.232 119.914 0.184 0.000 2.444 649 V HA 0.364 4.483 4.120 -0.002 0.000 0.294 649 V C -1.173 175.204 176.094 0.471 0.000 1.022 649 V CA -0.669 61.826 62.300 0.325 0.000 0.850 649 V CB 0.946 32.944 31.823 0.291 0.000 0.992 649 V HN 0.563 nan 8.190 nan 0.000 0.426 650 F N 4.057 124.302 119.950 0.491 0.000 2.420 650 F HA 0.642 5.168 4.527 -0.002 0.000 0.352 650 F C 0.601 176.493 175.800 0.153 0.000 1.108 650 F CA -0.236 57.934 58.000 0.282 0.000 1.162 650 F CB 0.968 40.002 39.000 0.057 0.000 1.118 650 F HN 0.552 nan 8.300 nan 0.000 0.510 651 A N 6.207 128.989 122.820 -0.064 0.000 2.394 651 A HA 0.455 4.773 4.320 -0.002 0.000 0.333 651 A C -0.787 176.805 177.584 0.014 0.000 1.397 651 A CA -0.553 51.504 52.037 0.033 0.000 0.884 651 A CB -0.489 18.517 19.000 0.012 0.000 1.147 651 A HN 0.823 nan 8.150 nan 0.000 0.505 652 C N 1.949 121.351 119.300 0.171 0.000 2.629 652 C HA 0.676 5.134 4.460 -0.002 0.000 0.410 652 C C 1.150 176.139 174.990 -0.002 0.000 1.339 652 C CA 0.158 59.255 59.018 0.131 0.000 1.810 652 C CB -0.848 26.924 27.740 0.055 0.000 2.549 652 C HN 0.922 nan 8.230 nan 0.000 0.589 653 S N 0.418 116.109 115.700 -0.016 0.000 2.655 653 S HA 0.277 4.746 4.470 -0.002 0.000 0.266 653 S C 0.160 174.737 174.600 -0.039 0.000 1.149 653 S CA -0.259 57.915 58.200 -0.043 0.000 0.818 653 S CB 0.822 63.995 63.200 -0.044 0.000 1.130 653 S HN 0.804 nan 8.310 nan 0.000 0.476 654 D N 0.595 120.970 120.400 -0.041 0.000 2.348 654 D HA -0.013 4.626 4.640 -0.002 0.000 0.216 654 D C 0.430 176.709 176.300 -0.034 0.000 0.970 654 D CA 0.665 54.645 54.000 -0.033 0.000 0.889 654 D CB -0.118 40.663 40.800 -0.032 0.000 0.912 654 D HN 0.330 nan 8.370 nan 0.000 0.524 655 R N 1.110 121.584 120.500 -0.043 0.000 2.651 655 R HA 0.287 4.625 4.340 -0.002 0.000 0.282 655 R C -2.565 173.694 176.300 -0.068 0.000 1.565 655 R CA -1.575 54.494 56.100 -0.051 0.000 1.661 655 R CB 1.440 31.705 30.300 -0.058 0.000 1.189 655 R HN 0.124 nan 8.270 nan 0.000 0.621 656 P HA -0.000 nan 4.420 nan 0.000 0.266 656 P C -0.485 176.681 177.300 -0.224 0.000 1.195 656 P CA 0.309 63.326 63.100 -0.138 0.000 0.768 656 P CB 1.066 32.737 31.700 -0.048 0.000 0.838 657 T N 1.196 115.528 114.554 -0.370 0.000 2.923 657 T HA 0.318 4.667 4.350 -0.002 0.000 0.311 657 T C -0.729 173.754 174.700 -0.363 0.000 1.183 657 T CA -0.433 61.519 62.100 -0.246 0.000 1.020 657 T CB 1.388 70.218 68.868 -0.065 0.000 1.165 657 T HN 0.030 nan 8.240 nan 0.000 0.482 658 V N 3.363 123.179 119.914 -0.164 0.000 2.398 658 V HA 0.506 4.625 4.120 -0.002 0.000 0.286 658 V C -0.203 175.914 176.094 0.039 0.000 1.026 658 V CA -0.749 61.541 62.300 -0.016 0.000 0.868 658 V CB 1.190 33.082 31.823 0.115 0.000 0.982 658 V HN 0.717 nan 8.190 nan 0.000 0.443 659 I N 6.990 127.533 120.570 -0.044 0.000 2.331 659 I HA 0.543 4.711 4.170 -0.002 0.000 0.292 659 I C -0.286 175.590 176.117 -0.402 0.000 0.998 659 I CA -0.259 60.784 61.300 -0.428 0.000 1.267 659 I CB 0.563 38.319 38.000 -0.405 0.000 1.386 659 I HN 0.775 nan 8.210 nan 0.000 0.476 660 Y N 2.843 122.589 120.300 -0.923 0.000 2.840 660 Y HA 0.714 5.263 4.550 -0.002 0.000 0.324 660 Y C -0.875 174.393 175.900 -1.052 0.000 1.378 660 Y CA -1.228 56.319 58.100 -0.921 0.000 1.077 660 Y CB 1.395 39.611 38.460 -0.407 0.000 1.361 660 Y HN 0.346 nan 8.280 nan 0.000 0.459 661 S N 0.754 116.089 115.700 -0.609 0.000 2.500 661 S HA 0.733 5.202 4.470 -0.002 0.000 0.301 661 S C -1.402 173.064 174.600 -0.224 0.000 1.092 661 S CA -0.438 57.461 58.200 -0.502 0.000 1.030 661 S CB 1.293 64.320 63.200 -0.287 0.000 1.031 661 S HN 0.763 nan 8.310 nan 0.000 0.483 662 S N 3.156 118.702 115.700 -0.256 0.000 2.619 662 S HA 0.485 4.953 4.470 -0.002 0.000 0.280 662 S C -0.391 174.121 174.600 -0.148 0.000 1.150 662 S CA -0.455 57.658 58.200 -0.144 0.000 0.978 662 S CB 0.646 63.797 63.200 -0.080 0.000 1.041 662 S HN 0.996 nan 8.310 nan 0.000 0.485 663 N N 3.303 121.899 118.700 -0.174 0.000 2.754 663 N HA -0.182 4.556 4.740 -0.002 0.000 0.248 663 N C -0.340 175.131 175.510 -0.066 0.000 1.093 663 N CA 1.355 54.319 53.050 -0.143 0.000 0.699 663 N CB -1.722 36.741 38.487 -0.041 0.000 1.016 663 N HN 0.857 nan 8.380 nan 0.000 0.552 664 H N -2.886 116.190 119.070 0.010 0.000 2.791 664 H HA -0.219 4.336 4.556 -0.002 0.000 0.302 664 H C 0.132 175.495 175.328 0.058 0.000 1.198 664 H CA 1.603 57.681 56.048 0.050 0.000 1.145 664 H CB -1.346 28.444 29.762 0.046 0.000 1.385 664 H HN 0.656 nan 8.280 nan 0.000 0.409 665 K N 0.677 121.092 120.400 0.025 0.000 2.468 665 K HA 0.464 4.783 4.320 -0.002 0.000 0.252 665 K C -0.184 176.269 176.600 -0.246 0.000 0.932 665 K CA -0.745 55.529 56.287 -0.021 0.000 0.794 665 K CB 1.763 34.250 32.500 -0.021 0.000 1.241 665 K HN 0.029 nan 8.250 nan 0.000 0.428 666 L N 4.271 125.290 121.223 -0.340 0.000 2.360 666 L HA 0.272 4.610 4.340 -0.002 0.000 0.276 666 L C -0.409 175.996 176.870 -0.776 0.000 1.121 666 L CA -0.594 53.764 54.840 -0.802 0.000 0.845 666 L CB 1.078 42.446 42.059 -1.152 0.000 1.143 666 L HN 0.357 nan 8.230 nan 0.000 0.452 667 V N 4.060 123.305 119.914 -1.115 0.000 2.555 667 V HA 0.445 4.564 4.120 -0.002 0.000 0.302 667 V C -0.495 174.860 176.094 -1.231 0.000 1.038 667 V CA -0.523 61.177 62.300 -1.000 0.000 0.887 667 V CB 1.870 33.022 31.823 -1.119 0.000 0.991 667 V HN 0.354 nan 8.190 nan 0.000 0.434 668 F N 2.222 121.892 119.950 -0.466 0.000 2.449 668 F HA 0.649 5.175 4.527 -0.003 0.000 0.342 668 F C 0.367 176.096 175.800 -0.118 0.000 1.127 668 F CA -0.302 57.534 58.000 -0.274 0.000 0.975 668 F CB 2.074 40.938 39.000 -0.227 0.000 1.146 668 F HN 0.417 nan 8.300 nan 0.000 0.444 669 S N 2.868 118.656 115.700 0.146 0.000 2.532 669 S HA 0.476 4.944 4.470 -0.002 0.000 0.299 669 S C -0.708 173.928 174.600 0.060 0.000 1.105 669 S CA -0.808 57.479 58.200 0.145 0.000 1.018 669 S CB 0.642 64.004 63.200 0.271 0.000 1.021 669 S HN 0.687 nan 8.310 nan 0.000 0.483 670 N N 1.870 120.583 118.700 0.023 0.000 2.492 670 N HA 0.242 4.981 4.740 -0.002 0.000 0.262 670 N C -0.760 174.729 175.510 -0.036 0.000 1.202 670 N CA -0.159 52.879 53.050 -0.021 0.000 0.926 670 N CB 0.753 39.229 38.487 -0.019 0.000 1.078 670 N HN 0.350 nan 8.380 nan 0.000 0.454 671 V N 2.454 122.322 119.914 -0.077 0.000 2.509 671 V HA 0.136 4.254 4.120 -0.002 0.000 0.284 671 V C 0.172 176.251 176.094 -0.026 0.000 1.047 671 V CA -0.748 61.519 62.300 -0.056 0.000 0.952 671 V CB 1.175 32.947 31.823 -0.085 0.000 0.988 671 V HN 0.658 nan 8.190 nan 0.000 0.469 672 N N 5.921 124.611 118.700 -0.016 0.000 3.124 672 N HA 0.402 5.141 4.740 -0.002 0.000 0.284 672 N C -0.793 174.711 175.510 -0.009 0.000 1.209 672 N CA 0.192 53.234 53.050 -0.015 0.000 1.149 672 N CB 0.164 38.638 38.487 -0.021 0.000 1.434 672 N HN 0.530 nan 8.380 nan 0.000 0.529 673 L N 0.067 121.291 121.223 0.002 0.000 2.415 673 L HA 0.349 4.688 4.340 -0.002 0.000 0.256 673 L C 1.246 178.119 176.870 0.004 0.000 1.010 673 L CA -0.817 54.028 54.840 0.007 0.000 0.826 673 L CB 1.990 44.065 42.059 0.027 0.000 1.405 673 L HN -0.081 nan 8.230 nan 0.000 0.410 674 K N 0.493 120.894 120.400 0.002 0.000 2.009 674 K HA -0.084 4.235 4.320 -0.002 0.000 0.210 674 K C 0.072 176.670 176.600 -0.004 0.000 1.049 674 K CA 1.519 57.805 56.287 -0.002 0.000 0.929 674 K CB 0.194 32.693 32.500 -0.001 0.000 0.714 674 K HN 0.569 nan 8.250 nan 0.000 0.440 675 E N -0.632 119.568 120.200 -0.000 0.000 2.481 675 E HA 0.191 4.539 4.350 -0.002 0.000 0.301 675 E C -1.828 174.772 176.600 -0.001 0.000 0.948 675 E CA -0.467 55.929 56.400 -0.005 0.000 0.804 675 E CB 1.398 31.088 29.700 -0.016 0.000 1.265 675 E HN -0.160 nan 8.360 nan 0.000 0.406 676 V N 4.741 124.665 119.914 0.016 0.000 2.459 676 V HA 0.285 4.404 4.120 -0.002 0.000 0.295 676 V C 0.321 176.375 176.094 -0.067 0.000 1.029 676 V CA -0.681 61.627 62.300 0.013 0.000 0.874 676 V CB 1.519 33.424 31.823 0.137 0.000 0.985 676 V HN 0.706 nan 8.190 nan 0.000 0.438 677 N N 2.376 120.983 118.700 -0.155 0.000 2.368 677 N HA 0.156 4.894 4.740 -0.002 0.000 0.178 677 N C -0.512 174.527 175.510 -0.786 0.000 1.021 677 N CA 1.024 53.821 53.050 -0.421 0.000 0.875 677 N CB 0.204 38.482 38.487 -0.349 0.000 1.020 677 N HN 0.694 nan 8.380 nan 0.000 0.433 678 Y N -0.910 119.333 120.300 -0.095 0.000 2.562 678 Y HA 0.560 5.108 4.550 -0.002 0.000 0.345 678 Y C -0.165 175.592 175.900 -0.238 0.000 1.045 678 Y CA -1.034 56.971 58.100 -0.159 0.000 1.028 678 Y CB 2.043 40.367 38.460 -0.228 0.000 1.297 678 Y HN -0.233 nan 8.280 nan 0.000 0.463 679 M N 3.218 122.740 119.600 -0.130 0.000 2.520 679 M HA 0.748 5.226 4.480 -0.002 0.000 0.283 679 M C -1.975 174.166 176.300 -0.266 0.000 1.237 679 M CA -0.581 54.526 55.300 -0.322 0.000 0.885 679 M CB 1.963 34.166 32.600 -0.661 0.000 1.727 679 M HN 0.983 nan 8.290 nan 0.000 0.468 680 C N 2.032 121.163 119.300 -0.282 0.000 3.082 680 C HA 0.908 5.367 4.460 -0.002 0.000 0.324 680 C C -2.898 171.990 174.990 -0.171 0.000 1.210 680 C CA -1.283 57.624 59.018 -0.184 0.000 1.366 680 C CB 1.962 29.598 27.740 -0.173 0.000 1.756 680 C HN 0.734 nan 8.230 nan 0.000 0.485 681 P HA 0.439 nan 4.420 nan 0.000 0.272 681 P C -1.077 176.204 177.300 -0.031 0.000 1.223 681 P CA 0.050 63.127 63.100 -0.038 0.000 0.784 681 P CB 1.066 32.812 31.700 0.076 0.000 0.923 682 L N 2.288 123.494 121.223 -0.028 0.000 2.505 682 L HA 0.473 4.812 4.340 -0.002 0.000 0.266 682 L C -0.729 176.157 176.870 0.026 0.000 0.954 682 L CA -0.447 54.387 54.840 -0.011 0.000 0.852 682 L CB 2.081 44.107 42.059 -0.054 0.000 1.282 682 L HN 0.205 nan 8.230 nan 0.000 0.403 683 N N 2.224 120.951 118.700 0.045 0.000 2.723 683 N HA 0.234 4.973 4.740 -0.002 0.000 0.290 683 N C -0.678 174.872 175.510 0.066 0.000 1.882 683 N CA -0.179 52.905 53.050 0.058 0.000 0.851 683 N CB 0.740 39.257 38.487 0.050 0.000 1.234 683 N HN 0.635 nan 8.380 nan 0.000 0.491 684 S N -0.490 115.268 115.700 0.096 0.000 2.652 684 S HA 0.326 4.795 4.470 -0.002 0.000 0.267 684 S C 0.699 175.342 174.600 0.073 0.000 1.201 684 S CA -0.269 57.990 58.200 0.098 0.000 0.996 684 S CB 0.945 64.240 63.200 0.158 0.000 1.054 684 S HN 0.145 nan 8.310 nan 0.000 0.561 685 D N 0.719 121.146 120.400 0.044 0.000 2.137 685 D HA 0.114 4.753 4.640 -0.002 0.000 0.202 685 D C 1.998 178.270 176.300 -0.046 0.000 0.970 685 D CA 1.486 55.489 54.000 0.004 0.000 0.837 685 D CB -0.972 39.827 40.800 -0.003 0.000 0.981 685 D HN 0.738 nan 8.370 nan 0.000 0.475 686 G N -1.290 107.449 108.800 -0.102 0.000 2.813 686 G HA2 -0.101 3.858 3.960 -0.002 0.000 0.209 686 G HA3 -0.101 3.858 3.960 -0.002 0.000 0.209 686 G C -0.080 174.442 174.900 -0.630 0.000 1.150 686 G CA 0.182 45.072 45.100 -0.351 0.000 0.785 686 G HN 0.229 nan 8.290 nan 0.000 0.535 687 Y N 0.800 121.122 120.300 0.037 0.000 2.497 687 Y HA 0.306 4.855 4.550 -0.002 0.000 0.333 687 Y C -2.366 173.543 175.900 0.016 0.000 1.046 687 Y CA -2.654 55.469 58.100 0.038 0.000 1.160 687 Y CB 1.328 39.799 38.460 0.018 0.000 1.123 687 Y HN -0.018 nan 8.280 nan 0.000 0.638 688 P HA 0.028 nan 4.420 nan 0.000 0.274 688 P C -0.045 177.291 177.300 0.060 0.000 1.237 688 P CA 0.125 63.267 63.100 0.070 0.000 0.793 688 P CB 0.926 32.651 31.700 0.042 0.000 0.977 689 D N -1.069 119.359 120.400 0.047 0.000 2.720 689 D HA -0.126 4.512 4.640 -0.002 0.000 0.229 689 D C -0.037 176.274 176.300 0.018 0.000 1.198 689 D CA 1.142 55.165 54.000 0.039 0.000 0.639 689 D CB -1.209 39.612 40.800 0.035 0.000 1.003 689 D HN 0.272 nan 8.370 nan 0.000 0.411 690 S N -0.829 114.877 115.700 0.010 0.000 2.801 690 S HA 0.796 5.264 4.470 -0.002 0.000 0.312 690 S C -0.087 174.459 174.600 -0.090 0.000 1.112 690 S CA -0.770 57.405 58.200 -0.042 0.000 0.943 690 S CB 1.885 65.080 63.200 -0.008 0.000 1.269 690 S HN 0.133 nan 8.310 nan 0.000 0.558 691 L N 0.693 121.821 121.223 -0.157 0.000 2.431 691 L HA 0.724 5.062 4.340 -0.002 0.000 0.266 691 L C -0.597 176.127 176.870 -0.243 0.000 0.978 691 L CA -0.336 54.362 54.840 -0.236 0.000 0.822 691 L CB 1.678 43.537 42.059 -0.332 0.000 1.310 691 L HN 0.759 nan 8.230 nan 0.000 0.409 692 A N 3.891 126.558 122.820 -0.255 0.000 2.288 692 A HA 0.913 5.231 4.320 -0.002 0.000 0.320 692 A C -1.230 176.188 177.584 -0.276 0.000 1.217 692 A CA -0.303 51.588 52.037 -0.245 0.000 0.840 692 A CB 0.486 19.358 19.000 -0.213 0.000 1.179 692 A HN 0.539 nan 8.150 nan 0.000 0.504 693 L N 1.422 122.503 121.223 -0.238 0.000 2.401 693 L HA 0.837 5.175 4.340 -0.002 0.000 0.266 693 L C 0.133 176.919 176.870 -0.140 0.000 0.991 693 L CA -0.219 54.483 54.840 -0.230 0.000 0.818 693 L CB 2.256 44.165 42.059 -0.251 0.000 1.321 693 L HN 0.818 nan 8.230 nan 0.000 0.413 694 A N 1.713 124.473 122.820 -0.100 0.000 2.414 694 A HA 0.890 5.209 4.320 -0.002 0.000 0.306 694 A C -1.012 176.562 177.584 -0.016 0.000 1.054 694 A CA -0.526 51.486 52.037 -0.042 0.000 0.724 694 A CB 1.458 20.446 19.000 -0.020 0.000 1.267 694 A HN 0.871 nan 8.150 nan 0.000 0.418 695 N N 0.360 119.059 118.700 -0.002 0.000 3.201 695 N HA 0.320 5.059 4.740 -0.002 0.000 0.344 695 N C 0.307 175.836 175.510 0.032 0.000 1.465 695 N CA -0.669 52.383 53.050 0.004 0.000 0.731 695 N CB 0.159 38.644 38.487 -0.004 0.000 1.677 695 N HN 0.296 nan 8.380 nan 0.000 0.631 696 N N -1.299 117.420 118.700 0.031 0.000 2.192 696 N HA -0.177 4.562 4.740 -0.002 0.000 0.188 696 N C 0.777 176.324 175.510 0.061 0.000 1.013 696 N CA 2.102 55.182 53.050 0.050 0.000 0.863 696 N CB -0.156 38.354 38.487 0.039 0.000 0.990 696 N HN 0.666 nan 8.380 nan 0.000 0.430 697 S N -3.082 112.647 115.700 0.047 0.000 2.663 697 S HA 0.134 4.603 4.470 -0.002 0.000 0.247 697 S C 0.559 175.187 174.600 0.046 0.000 1.074 697 S CA -0.107 58.123 58.200 0.051 0.000 0.955 697 S CB 0.059 63.282 63.200 0.038 0.000 0.901 697 S HN 0.218 nan 8.310 nan 0.000 0.505 698 T N 0.799 115.371 114.554 0.030 0.000 2.841 698 T HA 0.666 5.014 4.350 -0.002 0.000 0.283 698 T C -0.820 173.881 174.700 0.001 0.000 1.000 698 T CA -0.802 61.309 62.100 0.017 0.000 0.977 698 T CB 1.710 70.582 68.868 0.008 0.000 0.979 698 T HN 0.223 nan 8.240 nan 0.000 0.446 699 L N 4.933 126.153 121.223 -0.005 0.000 2.277 699 L HA 0.507 4.846 4.340 -0.002 0.000 0.284 699 L C -0.200 176.637 176.870 -0.056 0.000 1.028 699 L CA -0.235 54.583 54.840 -0.037 0.000 0.835 699 L CB 0.627 42.669 42.059 -0.028 0.000 1.215 699 L HN 1.150 nan 8.230 nan 0.000 0.425 700 T N 3.022 117.529 114.554 -0.078 0.000 2.895 700 T HA 0.731 5.079 4.350 -0.002 0.000 0.283 700 T C -0.089 174.526 174.700 -0.141 0.000 1.014 700 T CA -0.699 61.350 62.100 -0.085 0.000 1.037 700 T CB 2.319 71.150 68.868 -0.061 0.000 1.006 700 T HN 0.446 nan 8.240 nan 0.000 0.468 701 I N 0.824 121.302 120.570 -0.153 0.000 2.608 701 I HA 0.778 4.947 4.170 -0.002 0.000 0.295 701 I C 0.528 176.565 176.117 -0.134 0.000 1.049 701 I CA -0.739 60.429 61.300 -0.221 0.000 1.063 701 I CB 2.216 39.937 38.000 -0.465 0.000 1.248 701 I HN 1.075 nan 8.210 nan 0.000 0.424 702 G N 2.276 110.971 108.800 -0.173 0.000 2.441 702 G HA2 0.503 4.461 3.960 -0.002 0.000 0.294 702 G HA3 0.503 4.461 3.960 -0.002 0.000 0.294 702 G C -0.989 173.748 174.900 -0.271 0.000 1.393 702 G CA -0.423 44.519 45.100 -0.264 0.000 0.796 702 G HN 0.599 nan 8.290 nan 0.000 0.494 703 T N -1.964 112.386 114.554 -0.340 0.000 2.862 703 T HA 0.763 5.112 4.350 -0.002 0.000 0.276 703 T C -0.055 174.620 174.700 -0.042 0.000 0.974 703 T CA -0.629 61.370 62.100 -0.168 0.000 0.966 703 T CB 1.829 70.600 68.868 -0.162 0.000 1.072 703 T HN 0.853 nan 8.240 nan 0.000 0.538 704 I N 0.338 120.902 120.570 -0.010 0.000 2.608 704 I HA 0.350 4.518 4.170 -0.002 0.000 0.295 704 I C -0.736 175.412 176.117 0.053 0.000 1.049 704 I CA -0.983 60.340 61.300 0.039 0.000 1.063 704 I CB 1.880 39.885 38.000 0.008 0.000 1.248 704 I HN 0.657 nan 8.210 nan 0.000 0.424 705 D N 5.499 125.937 120.400 0.065 0.000 2.364 705 D HA -0.030 4.609 4.640 -0.002 0.000 0.236 705 D C -0.033 176.278 176.300 0.018 0.000 1.221 705 D CA 0.308 54.310 54.000 0.004 0.000 0.891 705 D CB 0.587 41.307 40.800 -0.134 0.000 1.190 705 D HN 0.485 nan 8.370 nan 0.000 0.449 706 E N 0.509 120.731 120.200 0.038 0.000 2.529 706 E HA -0.067 4.282 4.350 -0.002 0.000 0.259 706 E C -0.265 176.312 176.600 -0.037 0.000 0.966 706 E CA -0.331 56.079 56.400 0.017 0.000 0.937 706 E CB 0.397 30.122 29.700 0.042 0.000 0.923 706 E HN 0.189 nan 8.360 nan 0.000 0.468 707 I N 5.258 125.751 120.570 -0.128 0.000 2.372 707 I HA -0.013 4.155 4.170 -0.002 0.000 0.298 707 I C 0.271 176.105 176.117 -0.471 0.000 1.137 707 I CA 1.042 62.144 61.300 -0.329 0.000 1.314 707 I CB 0.046 37.776 38.000 -0.450 0.000 1.444 707 I HN 0.444 nan 8.210 nan 0.000 0.541 708 Q N 3.499 123.154 119.800 -0.242 0.000 2.590 708 Q HA 0.286 4.625 4.340 -0.002 0.000 0.295 708 Q C 0.474 176.514 176.000 0.066 0.000 0.973 708 Q CA -0.927 54.846 55.803 -0.051 0.000 0.768 708 Q CB 1.957 30.705 28.738 0.016 0.000 1.479 708 Q HN 0.375 nan 8.270 nan 0.000 0.419 709 K N 0.363 120.842 120.400 0.131 0.000 2.103 709 K HA 0.109 4.427 4.320 -0.002 0.000 0.204 709 K C -0.088 176.563 176.600 0.085 0.000 1.052 709 K CA 0.905 57.258 56.287 0.111 0.000 0.945 709 K CB 0.338 32.902 32.500 0.107 0.000 0.722 709 K HN 0.468 nan 8.250 nan 0.000 0.443 710 L N 1.481 122.755 121.223 0.084 0.000 2.333 710 L HA 0.216 4.555 4.340 -0.002 0.000 0.280 710 L C -0.990 175.943 176.870 0.104 0.000 1.004 710 L CA -0.922 53.966 54.840 0.079 0.000 0.820 710 L CB 1.538 43.628 42.059 0.052 0.000 1.247 710 L HN 0.190 nan 8.230 nan 0.000 0.416 711 H N 4.079 123.155 119.070 0.011 0.000 2.467 711 H HA 0.572 5.127 4.556 -0.003 0.000 0.326 711 H C -1.010 174.314 175.328 -0.008 0.000 1.094 711 H CA -0.170 55.882 56.048 0.007 0.000 1.253 711 H CB 1.126 30.899 29.762 0.019 0.000 1.439 711 H HN 0.396 nan 8.280 nan 0.000 0.479 712 I N 5.587 125.822 120.570 -0.559 0.000 2.418 712 I HA 0.330 4.498 4.170 -0.002 0.000 0.287 712 I C -0.225 175.539 176.117 -0.588 0.000 1.008 712 I CA -0.708 60.331 61.300 -0.435 0.000 1.104 712 I CB 1.302 39.169 38.000 -0.223 0.000 1.264 712 I HN 0.437 nan 8.210 nan 0.000 0.438 713 R N 4.060 124.302 120.500 -0.430 0.000 2.460 713 R HA 0.601 4.940 4.340 -0.002 0.000 0.303 713 R C -1.138 175.002 176.300 -0.266 0.000 0.968 713 R CA -0.322 55.602 56.100 -0.294 0.000 0.889 713 R CB 1.847 32.038 30.300 -0.181 0.000 1.123 713 R HN 0.541 nan 8.270 nan 0.000 0.455 714 T N 3.185 117.610 114.554 -0.215 0.000 2.779 714 T HA 0.313 4.662 4.350 -0.002 0.000 0.280 714 T C -0.646 173.928 174.700 -0.209 0.000 0.987 714 T CA -0.469 61.506 62.100 -0.208 0.000 0.966 714 T CB 1.611 70.382 68.868 -0.161 0.000 0.933 714 T HN 0.260 nan 8.240 nan 0.000 0.442 715 V N 6.642 126.409 119.914 -0.244 0.000 2.293 715 V HA 0.331 4.449 4.120 -0.002 0.000 0.275 715 V C -2.331 173.641 176.094 -0.203 0.000 1.021 715 V CA -2.168 60.012 62.300 -0.200 0.000 0.815 715 V CB 0.876 32.566 31.823 -0.222 0.000 1.025 715 V HN 0.668 nan 8.190 nan 0.000 0.448 716 P HA 0.331 nan 4.420 nan 0.000 0.276 716 P C 0.341 177.372 177.300 -0.449 0.000 1.230 716 P CA -0.033 62.795 63.100 -0.454 0.000 0.776 716 P CB 1.208 32.513 31.700 -0.659 0.000 0.888 717 L N 1.755 122.712 121.223 -0.443 0.000 2.642 717 L HA 0.191 4.530 4.340 -0.002 0.000 0.233 717 L C 0.260 177.102 176.870 -0.047 0.000 1.077 717 L CA -0.008 54.728 54.840 -0.175 0.000 0.879 717 L CB -0.372 41.623 42.059 -0.107 0.000 1.151 717 L HN 0.338 nan 8.230 nan 0.000 0.495 718 Y N 0.547 120.836 120.300 -0.019 0.000 4.668 718 Y HA -0.309 4.240 4.550 -0.002 0.000 0.234 718 Y C 0.541 176.444 175.900 0.004 0.000 1.056 718 Y CA 0.767 58.865 58.100 -0.005 0.000 2.025 718 Y CB -2.237 36.220 38.460 -0.004 0.000 1.613 718 Y HN 0.531 nan 8.280 nan 0.000 0.653 719 E N -1.989 118.244 120.200 0.054 0.000 2.437 719 E HA 0.686 5.035 4.350 -0.002 0.000 0.280 719 E C -1.058 175.511 176.600 -0.052 0.000 1.044 719 E CA -1.017 55.401 56.400 0.029 0.000 0.826 719 E CB 1.307 31.020 29.700 0.022 0.000 1.358 719 E HN -0.081 nan 8.360 nan 0.000 0.459 720 S N 2.624 118.270 115.700 -0.090 0.000 2.422 720 S HA 0.293 4.762 4.470 -0.002 0.000 0.283 720 S C -2.158 172.356 174.600 -0.144 0.000 1.163 720 S CA -0.859 57.238 58.200 -0.172 0.000 1.054 720 S CB 0.186 63.237 63.200 -0.249 0.000 0.967 720 S HN 0.323 nan 8.310 nan 0.000 0.499 721 P HA 0.392 nan 4.420 nan 0.000 0.278 721 P C -0.154 177.107 177.300 -0.066 0.000 1.238 721 P CA -0.578 62.472 63.100 -0.084 0.000 0.794 721 P CB 1.430 33.084 31.700 -0.076 0.000 0.955 722 R N 0.680 121.164 120.500 -0.026 0.000 2.437 722 R HA 0.259 4.598 4.340 -0.002 0.000 0.184 722 R C 0.278 176.615 176.300 0.060 0.000 0.850 722 R CA 0.291 56.400 56.100 0.015 0.000 1.073 722 R CB 0.307 30.620 30.300 0.022 0.000 1.336 722 R HN 0.371 nan 8.270 nan 0.000 0.640 723 K N 0.668 121.110 120.400 0.071 0.000 2.477 723 K HA 0.465 4.784 4.320 -0.002 0.000 0.255 723 K C -1.473 175.194 176.600 0.111 0.000 0.952 723 K CA -0.597 55.752 56.287 0.104 0.000 0.826 723 K CB 2.950 35.527 32.500 0.129 0.000 1.331 723 K HN -0.034 nan 8.250 nan 0.000 0.437 724 I N 0.950 121.607 120.570 0.145 0.000 2.656 724 I HA 0.461 4.629 4.170 -0.002 0.000 0.292 724 I C -1.252 175.025 176.117 0.267 0.000 1.144 724 I CA -0.537 60.880 61.300 0.196 0.000 1.038 724 I CB 1.355 39.450 38.000 0.157 0.000 1.244 724 I HN 0.871 nan 8.210 nan 0.000 0.420 725 C N 4.425 123.936 119.300 0.351 0.000 2.898 725 C HA 0.632 5.091 4.460 -0.002 0.000 0.304 725 C C -1.190 174.068 174.990 0.447 0.000 1.237 725 C CA -0.875 58.361 59.018 0.364 0.000 1.529 725 C CB 1.148 29.069 27.740 0.302 0.000 2.021 725 C HN 0.797 nan 8.230 nan 0.000 0.474 726 Y N 1.534 121.921 120.300 0.144 0.000 2.342 726 Y HA 0.578 5.127 4.550 -0.002 0.000 0.334 726 Y C 0.065 175.867 175.900 -0.163 0.000 1.067 726 Y CA -0.214 57.785 58.100 -0.169 0.000 1.128 726 Y CB 1.258 39.540 38.460 -0.297 0.000 1.200 726 Y HN 0.920 nan 8.280 nan 0.000 0.464 727 Q N 5.711 124.994 119.800 -0.861 0.000 2.508 727 Q HA 0.179 4.518 4.340 -0.002 0.000 0.247 727 Q C 0.638 176.016 176.000 -1.037 0.000 1.047 727 Q CA -0.211 55.103 55.803 -0.815 0.000 0.783 727 Q CB 0.876 29.213 28.738 -0.669 0.000 1.172 727 Q HN 1.007 nan 8.270 nan 0.000 0.515 728 E N 1.947 121.500 120.200 -1.078 0.000 2.070 728 E HA -0.232 4.117 4.350 -0.002 0.000 0.197 728 E C 1.488 177.886 176.600 -0.338 0.000 1.004 728 E CA 2.128 58.109 56.400 -0.698 0.000 0.805 728 E CB 0.110 29.654 29.700 -0.261 0.000 0.744 728 E HN 0.657 nan 8.360 nan 0.000 0.451 729 V N -1.570 118.178 119.914 -0.275 0.000 2.720 729 V HA -0.126 3.993 4.120 -0.002 0.000 0.256 729 V C 1.827 177.851 176.094 -0.118 0.000 1.082 729 V CA 1.973 64.174 62.300 -0.164 0.000 1.101 729 V CB -0.074 31.654 31.823 -0.158 0.000 0.693 729 V HN 0.092 nan 8.190 nan 0.000 0.479 730 S N -1.004 114.609 115.700 -0.145 0.000 2.535 730 S HA 0.143 4.611 4.470 -0.002 0.000 0.214 730 S C 0.601 175.192 174.600 -0.015 0.000 0.980 730 S CA 0.124 58.321 58.200 -0.005 0.000 0.907 730 S CB -0.122 63.148 63.200 0.117 0.000 0.790 730 S HN 0.705 nan 8.310 nan 0.000 0.510 731 Q N -0.298 119.427 119.800 -0.126 0.000 2.453 731 Q HA -0.191 4.147 4.340 -0.002 0.000 0.294 731 Q C -0.618 175.312 176.000 -0.117 0.000 1.295 731 Q CA 0.486 56.231 55.803 -0.096 0.000 0.853 731 Q CB -2.565 26.175 28.738 0.002 0.000 1.193 731 Q HN 0.561 nan 8.270 nan 0.000 0.461 732 C N -0.647 118.537 119.300 -0.194 0.000 2.994 732 C HA 0.732 5.191 4.460 -0.002 0.000 0.305 732 C C -0.141 174.760 174.990 -0.147 0.000 1.251 732 C CA -0.840 58.109 59.018 -0.115 0.000 1.478 732 C CB 1.628 29.317 27.740 -0.085 0.000 1.922 732 C HN 0.371 nan 8.230 nan 0.000 0.472 733 F N 1.161 121.172 119.950 0.101 0.000 2.422 733 F HA 0.589 5.115 4.527 -0.002 0.000 0.333 733 F C 0.960 176.776 175.800 0.026 0.000 1.095 733 F CA 0.007 58.113 58.000 0.176 0.000 1.038 733 F CB 1.172 40.268 39.000 0.160 0.000 1.156 733 F HN 0.699 nan 8.300 nan 0.000 0.483 734 G N 1.573 110.508 108.800 0.226 0.000 2.332 734 G HA2 0.570 4.528 3.960 -0.002 0.000 0.310 734 G HA3 0.570 4.528 3.960 -0.002 0.000 0.310 734 G C -1.620 173.303 174.900 0.038 0.000 1.123 734 G CA -0.524 44.441 45.100 -0.225 0.000 0.873 734 G HN 0.493 nan 8.290 nan 0.000 0.460 735 V N 3.574 123.471 119.914 -0.029 0.000 2.525 735 V HA 0.339 4.458 4.120 -0.002 0.000 0.299 735 V C 0.005 176.108 176.094 0.015 0.000 1.034 735 V CA -0.645 61.672 62.300 0.030 0.000 0.863 735 V CB 1.626 33.465 31.823 0.026 0.000 0.999 735 V HN 0.652 nan 8.190 nan 0.000 0.423 736 L N 4.597 125.851 121.223 0.052 0.000 2.349 736 L HA 0.727 5.065 4.340 -0.002 0.000 0.275 736 L C 0.437 177.312 176.870 0.009 0.000 1.115 736 L CA 0.261 55.142 54.840 0.067 0.000 0.820 736 L CB 1.506 43.623 42.059 0.097 0.000 1.135 736 L HN 0.866 nan 8.230 nan 0.000 0.445 737 S N 1.013 116.700 115.700 -0.022 0.000 2.607 737 S HA 0.832 5.301 4.470 -0.002 0.000 0.273 737 S C -0.774 173.683 174.600 -0.238 0.000 1.148 737 S CA -0.688 57.447 58.200 -0.108 0.000 0.833 737 S CB 2.121 65.278 63.200 -0.072 0.000 1.130 737 S HN 0.638 nan 8.310 nan 0.000 0.470 738 S N 0.255 115.759 115.700 -0.327 0.000 2.569 738 S HA 0.878 5.346 4.470 -0.002 0.000 0.280 738 S C -0.863 173.624 174.600 -0.188 0.000 1.111 738 S CA -1.134 56.803 58.200 -0.439 0.000 0.887 738 S CB 1.641 64.258 63.200 -0.971 0.000 1.095 738 S HN 1.226 nan 8.310 nan 0.000 0.476 739 R N 0.534 120.969 120.500 -0.108 0.000 2.795 739 R HA 0.761 5.099 4.340 -0.002 0.000 0.275 739 R C -1.507 174.803 176.300 0.018 0.000 0.981 739 R CA -0.968 55.125 56.100 -0.011 0.000 0.917 739 R CB 0.948 31.250 30.300 0.004 0.000 1.202 739 R HN 0.582 nan 8.270 nan 0.000 0.469 740 I N 1.732 122.336 120.570 0.057 0.000 2.365 740 I HA 0.214 4.382 4.170 -0.002 0.000 0.291 740 I C 0.052 176.191 176.117 0.037 0.000 1.004 740 I CA -0.045 61.285 61.300 0.052 0.000 1.311 740 I CB 1.411 39.439 38.000 0.047 0.000 1.401 740 I HN 0.570 nan 8.210 nan 0.000 0.491 741 E N 5.145 125.368 120.200 0.039 0.000 2.336 741 E HA 0.651 4.999 4.350 -0.002 0.000 0.267 741 E C -1.295 175.330 176.600 0.040 0.000 0.906 741 E CA -0.927 55.495 56.400 0.035 0.000 0.781 741 E CB 2.892 32.614 29.700 0.037 0.000 1.261 741 E HN 0.367 nan 8.360 nan 0.000 0.436 742 V N -0.810 119.127 119.914 0.039 0.000 2.815 742 V HA 0.429 4.547 4.120 -0.002 0.000 0.314 742 V C -0.376 175.752 176.094 0.057 0.000 1.064 742 V CA -1.172 61.156 62.300 0.047 0.000 0.952 742 V CB 1.665 33.509 31.823 0.035 0.000 1.020 742 V HN 0.563 nan 8.190 nan 0.000 0.439 743 Q N 2.647 122.496 119.800 0.081 0.000 2.255 743 Q HA 0.193 4.531 4.340 -0.002 0.000 0.280 743 Q C -0.158 175.873 176.000 0.052 0.000 1.068 743 Q CA 0.540 56.399 55.803 0.094 0.000 0.911 743 Q CB 0.155 28.992 28.738 0.164 0.000 1.157 743 Q HN 0.846 nan 8.270 nan 0.000 0.380 744 D N 1.183 121.606 120.400 0.037 0.000 2.371 744 D HA -0.014 4.624 4.640 -0.002 0.000 0.242 744 D C 1.017 177.315 176.300 -0.004 0.000 1.218 744 D CA 0.492 54.502 54.000 0.015 0.000 0.945 744 D CB 0.863 41.671 40.800 0.014 0.000 1.137 744 D HN 0.710 nan 8.370 nan 0.000 0.464 745 T N -2.410 112.136 114.554 -0.014 0.000 2.962 745 T HA -0.047 4.302 4.350 -0.002 0.000 0.270 745 T C 1.162 175.845 174.700 -0.030 0.000 1.088 745 T CA 0.336 62.417 62.100 -0.032 0.000 1.127 745 T CB -0.020 68.832 68.868 -0.027 0.000 0.883 745 T HN 0.189 nan 8.240 nan 0.000 0.493 746 S N 1.137 116.829 115.700 -0.013 0.000 2.618 746 S HA 0.472 4.941 4.470 -0.002 0.000 0.254 746 S C 1.026 175.625 174.600 -0.002 0.000 1.284 746 S CA -0.300 57.896 58.200 -0.007 0.000 0.975 746 S CB -0.189 63.012 63.200 0.002 0.000 1.022 746 S HN 0.616 nan 8.310 nan 0.000 0.571 747 G N -0.326 108.479 108.800 0.009 0.000 3.058 747 G HA2 0.541 4.500 3.960 -0.002 0.000 0.316 747 G HA3 0.541 4.500 3.960 -0.002 0.000 0.316 747 G C 0.253 175.176 174.900 0.040 0.000 0.951 747 G CA 0.100 45.214 45.100 0.024 0.000 1.535 747 G HN 1.007 nan 8.290 nan 0.000 0.500 748 G N 0.356 109.187 108.800 0.051 0.000 2.332 748 G HA2 0.500 4.458 3.960 -0.002 0.000 0.265 748 G HA3 0.500 4.458 3.960 -0.002 0.000 0.265 748 G C -0.452 174.484 174.900 0.059 0.000 1.329 748 G CA 0.035 45.171 45.100 0.061 0.000 0.949 748 G HN 1.185 nan 8.290 nan 0.000 0.476 749 T N -1.741 112.844 114.554 0.052 0.000 2.876 749 T HA 0.808 5.157 4.350 -0.002 0.000 0.289 749 T C -0.059 174.661 174.700 0.033 0.000 1.014 749 T CA 0.358 62.487 62.100 0.048 0.000 0.986 749 T CB 1.750 70.652 68.868 0.056 0.000 1.021 749 T HN 1.707 nan 8.240 nan 0.000 0.458 750 T N -0.401 114.169 114.554 0.027 0.000 2.908 750 T HA 0.810 5.159 4.350 -0.002 0.000 0.290 750 T C 0.288 174.998 174.700 0.017 0.000 1.034 750 T CA -0.910 61.200 62.100 0.017 0.000 1.010 750 T CB 1.405 70.280 68.868 0.011 0.000 1.068 750 T HN 1.097 nan 8.240 nan 0.000 0.481 751 A N 1.554 124.380 122.820 0.011 0.000 2.332 751 A HA 0.591 4.909 4.320 -0.002 0.000 0.258 751 A C 1.314 178.903 177.584 0.008 0.000 1.087 751 A CA -0.812 51.232 52.037 0.012 0.000 0.802 751 A CB -0.173 18.832 19.000 0.007 0.000 1.042 751 A HN 0.959 nan 8.150 nan 0.000 0.489 752 L N -0.216 121.013 121.223 0.011 0.000 2.341 752 L HA 0.128 4.467 4.340 -0.002 0.000 0.214 752 L C 1.176 178.043 176.870 -0.004 0.000 1.115 752 L CA 0.897 55.740 54.840 0.006 0.000 0.820 752 L CB -0.597 41.469 42.059 0.011 0.000 0.944 752 L HN 0.882 nan 8.230 nan 0.000 0.452 753 R N -1.688 118.808 120.500 -0.006 0.000 2.712 753 R HA 0.490 4.829 4.340 -0.002 0.000 0.272 753 R C -3.088 173.192 176.300 -0.034 0.000 1.032 753 R CA -1.601 54.481 56.100 -0.031 0.000 0.874 753 R CB -0.034 30.246 30.300 -0.032 0.000 1.256 753 R HN -0.347 nan 8.270 nan 0.000 0.468 754 P HA 0.206 nan 4.420 nan 0.000 0.271 754 P C -0.970 176.303 177.300 -0.045 0.000 1.216 754 P CA -0.191 62.870 63.100 -0.066 0.000 0.776 754 P CB 1.191 32.829 31.700 -0.103 0.000 0.881 755 S N 0.209 115.922 115.700 0.022 0.000 2.688 755 S HA 0.655 5.124 4.470 -0.002 0.000 0.275 755 S C 1.009 175.662 174.600 0.088 0.000 1.175 755 S CA -0.240 58.030 58.200 0.116 0.000 0.818 755 S CB 1.026 64.296 63.200 0.115 0.000 1.157 755 S HN 0.300 nan 8.310 nan 0.000 0.482 756 A N 1.694 124.576 122.820 0.104 0.000 1.927 756 A HA -0.125 4.193 4.320 -0.002 0.000 0.220 756 A C 2.353 179.943 177.584 0.010 0.000 1.185 756 A CA 2.898 54.968 52.037 0.056 0.000 0.639 756 A CB -1.795 17.225 19.000 0.033 0.000 0.820 756 A HN 1.643 nan 8.150 nan 0.000 0.451 757 S N -0.704 114.992 115.700 -0.006 0.000 2.423 757 S HA -0.138 4.330 4.470 -0.002 0.000 0.231 757 S C 1.779 176.351 174.600 -0.046 0.000 1.014 757 S CA 1.868 60.045 58.200 -0.039 0.000 0.965 757 S CB -1.123 62.052 63.200 -0.041 0.000 0.785 757 S HN 0.873 nan 8.310 nan 0.000 0.495 758 T N -1.499 113.040 114.554 -0.024 0.000 3.065 758 T HA 0.231 4.579 4.350 -0.002 0.000 0.252 758 T C 1.475 176.161 174.700 -0.023 0.000 1.099 758 T CA 0.052 62.136 62.100 -0.028 0.000 1.063 758 T CB -0.236 68.620 68.868 -0.020 0.000 0.948 758 T HN 0.494 nan 8.240 nan 0.000 0.506 759 Q N 0.758 120.553 119.800 -0.009 0.000 2.282 759 Q HA 0.529 4.867 4.340 -0.002 0.000 0.206 759 Q C 0.757 176.758 176.000 0.002 0.000 0.878 759 Q CA -0.348 55.455 55.803 0.001 0.000 0.944 759 Q CB 0.513 29.263 28.738 0.019 0.000 1.100 759 Q HN 0.646 nan 8.270 nan 0.000 0.509 760 A N 0.832 123.642 122.820 -0.017 0.000 2.561 760 A HA -0.031 4.288 4.320 -0.002 0.000 0.234 760 A C 1.107 178.689 177.584 -0.004 0.000 1.055 760 A CA 0.055 52.080 52.037 -0.020 0.000 0.756 760 A CB 0.209 19.161 19.000 -0.080 0.000 0.986 760 A HN 0.425 nan 8.150 nan 0.000 0.505 761 L N 1.559 122.800 121.223 0.030 0.000 2.013 761 L HA -0.153 4.186 4.340 -0.002 0.000 0.212 761 L C 1.385 178.285 176.870 0.051 0.000 1.073 761 L CA 1.918 56.786 54.840 0.048 0.000 0.753 761 L CB -0.548 41.556 42.059 0.075 0.000 0.890 761 L HN 0.927 nan 8.230 nan 0.000 0.432 762 S N -1.710 114.032 115.700 0.071 0.000 2.599 762 S HA 0.675 5.144 4.470 -0.002 0.000 0.287 762 S C -0.507 174.012 174.600 -0.135 0.000 1.105 762 S CA -0.498 57.753 58.200 0.084 0.000 0.899 762 S CB 2.398 65.751 63.200 0.256 0.000 1.100 762 S HN 0.193 nan 8.310 nan 0.000 0.482 763 S N 0.057 115.663 115.700 -0.157 0.000 2.618 763 S HA 0.927 5.396 4.470 -0.002 0.000 0.277 763 S C -0.769 173.753 174.600 -0.130 0.000 1.138 763 S CA -0.474 57.503 58.200 -0.372 0.000 0.844 763 S CB 1.344 64.411 63.200 -0.222 0.000 1.127 763 S HN 1.811 nan 8.310 nan 0.000 0.474 764 S N -0.355 115.250 115.700 -0.158 0.000 2.607 764 S HA 0.877 5.346 4.470 -0.002 0.000 0.273 764 S C -0.839 173.647 174.600 -0.190 0.000 1.148 764 S CA -0.489 57.733 58.200 0.036 0.000 0.833 764 S CB 0.965 64.386 63.200 0.368 0.000 1.130 764 S HN 2.040 nan 8.310 nan 0.000 0.470 765 V N -1.645 118.180 119.914 -0.148 0.000 2.760 765 V HA 0.760 4.878 4.120 -0.002 0.000 0.309 765 V C -0.106 175.921 176.094 -0.112 0.000 1.077 765 V CA -0.791 61.349 62.300 -0.267 0.000 0.910 765 V CB 1.315 33.067 31.823 -0.119 0.000 1.008 765 V HN 0.901 nan 8.190 nan 0.000 0.424 766 S N 2.535 118.147 115.700 -0.147 0.000 2.549 766 S HA 0.330 4.799 4.470 -0.002 0.000 0.283 766 S C 1.025 175.689 174.600 0.106 0.000 1.320 766 S CA 0.298 58.581 58.200 0.139 0.000 1.058 766 S CB 0.882 64.225 63.200 0.240 0.000 0.882 766 S HN 1.325 nan 8.310 nan 0.000 0.498 767 S N 1.190 116.963 115.700 0.121 0.000 2.754 767 S HA 0.203 4.671 4.470 -0.002 0.000 0.247 767 S C 0.401 175.046 174.600 0.075 0.000 1.031 767 S CA -0.596 57.655 58.200 0.086 0.000 1.014 767 S CB 0.266 63.508 63.200 0.071 0.000 0.918 767 S HN 0.563 nan 8.310 nan 0.000 0.519 768 S N 1.895 117.649 115.700 0.090 0.000 2.558 768 S HA 0.102 4.571 4.470 -0.002 0.000 0.287 768 S C 0.937 175.551 174.600 0.023 0.000 1.321 768 S CA -0.116 58.111 58.200 0.045 0.000 1.048 768 S CB 0.654 63.885 63.200 0.052 0.000 0.844 768 S HN 0.481 nan 8.310 nan 0.000 0.512 769 K N 3.843 124.227 120.400 -0.026 0.000 2.358 769 K HA 0.191 4.509 4.320 -0.002 0.000 0.200 769 K C 1.513 178.055 176.600 -0.096 0.000 1.030 769 K CA 0.136 56.406 56.287 -0.029 0.000 1.097 769 K CB -0.187 32.304 32.500 -0.015 0.000 0.862 769 K HN 0.768 nan 8.250 nan 0.000 0.534 770 L N 0.374 121.453 121.223 -0.240 0.000 2.127 770 L HA -0.071 4.267 4.340 -0.002 0.000 0.211 770 L C 0.659 177.185 176.870 -0.573 0.000 1.089 770 L CA 1.362 55.895 54.840 -0.513 0.000 0.757 770 L CB -0.252 41.284 42.059 -0.872 0.000 0.899 770 L HN 0.013 nan 8.230 nan 0.000 0.434 783 G N 1.185 110.083 108.800 0.162 0.000 2.162 783 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.260 783 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.260 783 G C 0.094 175.056 174.900 0.104 0.000 0.976 783 G CA 0.378 45.538 45.100 0.100 0.000 0.655 783 G HN 0.381 nan 8.290 nan 0.000 0.533 784 E N 0.766 121.055 120.200 0.148 0.000 2.354 784 E HA 0.295 4.644 4.350 -0.002 0.000 0.269 784 E C 0.346 176.988 176.600 0.069 0.000 1.036 784 E CA -0.310 56.146 56.400 0.094 0.000 0.876 784 E CB 0.656 30.397 29.700 0.069 0.000 1.009 784 E HN 0.529 nan 8.360 nan 0.000 0.416 785 E N 1.154 121.380 120.200 0.044 0.000 2.373 785 E HA 0.194 4.542 4.350 -0.002 0.000 0.267 785 E C -0.836 175.794 176.600 0.050 0.000 1.032 785 E CA -0.146 56.277 56.400 0.039 0.000 0.889 785 E CB 1.295 31.007 29.700 0.021 0.000 0.984 785 E HN 0.087 nan 8.360 nan 0.000 0.425 786 V N 2.998 122.946 119.914 0.058 0.000 2.789 786 V HA 0.163 4.281 4.120 -0.002 0.000 0.311 786 V C -0.505 175.637 176.094 0.080 0.000 1.073 786 V CA -0.812 61.530 62.300 0.071 0.000 0.921 786 V CB 2.151 34.017 31.823 0.070 0.000 1.009 786 V HN 0.635 nan 8.190 nan 0.000 0.426 787 E N 2.092 122.356 120.200 0.107 0.000 2.249 787 E HA 0.562 4.910 4.350 -0.002 0.000 0.280 787 E C -1.269 175.424 176.600 0.155 0.000 1.016 787 E CA -0.456 56.013 56.400 0.115 0.000 0.830 787 E CB 2.197 31.992 29.700 0.159 0.000 1.081 787 E HN 0.394 nan 8.360 nan 0.000 0.395 788 V N 4.189 124.165 119.914 0.103 0.000 2.409 788 V HA 0.186 4.304 4.120 -0.002 0.000 0.291 788 V C -0.328 175.826 176.094 0.100 0.000 1.020 788 V CA -0.673 61.702 62.300 0.124 0.000 0.848 788 V CB 1.126 32.986 31.823 0.061 0.000 0.990 788 V HN 0.664 nan 8.190 nan 0.000 0.430 789 H N 4.083 123.178 119.070 0.042 0.000 2.479 789 H HA 0.535 5.090 4.556 -0.002 0.000 0.335 789 H C -0.699 174.772 175.328 0.238 0.000 1.142 789 H CA -0.624 55.475 56.048 0.085 0.000 1.234 789 H CB 2.025 31.802 29.762 0.024 0.000 1.503 789 H HN 0.568 nan 8.280 nan 0.000 0.510 790 N N 1.466 120.343 118.700 0.295 0.000 2.329 790 N HA 0.151 4.890 4.740 -0.002 0.000 0.282 790 N C -1.509 174.162 175.510 0.268 0.000 1.198 790 N CA -0.732 52.434 53.050 0.193 0.000 0.790 790 N CB 3.152 41.642 38.487 0.005 0.000 1.579 790 N HN 0.254 nan 8.380 nan 0.000 0.475 791 L N 2.187 123.501 121.223 0.153 0.000 2.287 791 L HA 0.553 4.892 4.340 -0.002 0.000 0.287 791 L C -1.259 175.545 176.870 -0.110 0.000 1.022 791 L CA -0.337 54.532 54.840 0.047 0.000 0.814 791 L CB 0.626 42.666 42.059 -0.033 0.000 1.217 791 L HN 0.383 nan 8.230 nan 0.000 0.420 792 L N 5.892 127.046 121.223 -0.113 0.000 2.309 792 L HA 0.527 4.865 4.340 -0.002 0.000 0.282 792 L C -0.602 176.144 176.870 -0.208 0.000 1.036 792 L CA -0.765 54.000 54.840 -0.125 0.000 0.806 792 L CB 1.631 43.651 42.059 -0.064 0.000 1.220 792 L HN 0.436 nan 8.230 nan 0.000 0.429 793 I N 4.570 125.014 120.570 -0.210 0.000 2.339 793 I HA 0.430 4.598 4.170 -0.002 0.000 0.290 793 I C -0.087 175.941 176.117 -0.148 0.000 0.994 793 I CA -0.352 60.757 61.300 -0.318 0.000 1.191 793 I CB 1.397 39.052 38.000 -0.575 0.000 1.343 793 I HN 0.477 nan 8.210 nan 0.000 0.458 794 I N 4.950 125.479 120.570 -0.069 0.000 2.447 794 I HA 0.194 4.363 4.170 -0.002 0.000 0.287 794 I C 0.335 176.457 176.117 0.008 0.000 1.023 794 I CA -0.638 60.676 61.300 0.023 0.000 1.083 794 I CB 1.993 40.056 38.000 0.105 0.000 1.245 794 I HN 0.510 nan 8.210 nan 0.000 0.434 795 D N 5.984 126.364 120.400 -0.032 0.000 2.493 795 D HA -0.059 4.580 4.640 -0.002 0.000 0.240 795 D C 1.026 177.140 176.300 -0.311 0.000 1.142 795 D CA 0.206 54.158 54.000 -0.080 0.000 0.872 795 D CB 1.217 42.020 40.800 0.004 0.000 1.173 795 D HN 0.708 nan 8.370 nan 0.000 0.467 796 Q N 3.377 122.974 119.800 -0.337 0.000 2.369 796 Q HA -0.150 4.188 4.340 -0.002 0.000 0.206 796 Q C 0.715 176.310 176.000 -0.675 0.000 0.963 796 Q CA 1.140 56.632 55.803 -0.519 0.000 0.894 796 Q CB 0.104 28.654 28.738 -0.315 0.000 0.965 796 Q HN 0.569 nan 8.270 nan 0.000 0.475 797 H N 0.757 119.702 119.070 -0.208 0.000 2.355 797 H HA 0.050 4.604 4.556 -0.002 0.000 0.312 797 H C 2.098 177.467 175.328 0.068 0.000 1.051 797 H CA 1.959 57.993 56.048 -0.024 0.000 1.389 797 H CB -0.095 29.681 29.762 0.025 0.000 1.455 797 H HN 0.536 nan 8.280 nan 0.000 0.575 798 T N -2.025 112.631 114.554 0.170 0.000 3.057 798 T HA 0.018 4.367 4.350 -0.002 0.000 0.254 798 T C 0.571 175.454 174.700 0.305 0.000 1.094 798 T CA -0.083 62.150 62.100 0.221 0.000 1.088 798 T CB -0.415 68.547 68.868 0.157 0.000 0.934 798 T HN 0.212 nan 8.240 nan 0.000 0.497 799 F N 1.350 121.364 119.950 0.107 0.000 3.084 799 F HA -0.157 4.369 4.527 -0.002 0.000 0.286 799 F C 0.236 176.069 175.800 0.055 0.000 0.855 799 F CA 0.297 58.338 58.000 0.068 0.000 1.091 799 F CB -1.982 37.031 39.000 0.022 0.000 1.177 799 F HN 0.256 nan 8.300 nan 0.000 0.542 800 E N 0.307 120.597 120.200 0.150 0.000 2.343 800 E HA 0.395 4.743 4.350 -0.002 0.000 0.269 800 E C 0.202 176.852 176.600 0.084 0.000 1.047 800 E CA -0.510 55.958 56.400 0.114 0.000 0.874 800 E CB 1.455 31.213 29.700 0.097 0.000 1.033 800 E HN 0.011 nan 8.360 nan 0.000 0.409 801 V N 4.490 124.446 119.914 0.071 0.000 2.387 801 V HA 0.011 4.130 4.120 -0.002 0.000 0.260 801 V C 1.584 177.708 176.094 0.051 0.000 1.054 801 V CA 0.086 62.413 62.300 0.044 0.000 0.967 801 V CB -0.236 31.604 31.823 0.028 0.000 1.036 801 V HN 0.571 nan 8.190 nan 0.000 0.481 802 L N 2.979 124.239 121.223 0.061 0.000 2.179 802 L HA 0.163 4.502 4.340 -0.002 0.000 0.208 802 L C 0.826 177.808 176.870 0.187 0.000 1.096 802 L CA 1.006 55.920 54.840 0.123 0.000 0.779 802 L CB -0.123 42.031 42.059 0.158 0.000 0.922 802 L HN 0.727 nan 8.230 nan 0.000 0.443 803 H N -1.105 117.966 119.070 0.001 0.000 3.038 803 H HA 0.630 5.184 4.556 -0.002 0.000 0.362 803 H C -1.480 173.812 175.328 -0.060 0.000 1.167 803 H CA -0.569 55.480 56.048 0.003 0.000 1.197 803 H CB 1.646 31.450 29.762 0.071 0.000 1.840 803 H HN -0.040 nan 8.280 nan 0.000 0.540 804 A N 3.504 126.010 122.820 -0.523 0.000 2.335 804 A HA 0.426 4.745 4.320 -0.002 0.000 0.304 804 A C -1.559 175.753 177.584 -0.454 0.000 1.118 804 A CA -0.588 51.238 52.037 -0.351 0.000 0.757 804 A CB 0.394 19.259 19.000 -0.225 0.000 1.188 804 A HN 0.829 nan 8.150 nan 0.000 0.460 805 H N 1.695 120.539 119.070 -0.377 0.000 2.519 805 H HA 0.477 5.031 4.556 -0.002 0.000 0.316 805 H C -0.076 174.982 175.328 -0.450 0.000 1.065 805 H CA -0.014 55.796 56.048 -0.397 0.000 1.264 805 H CB 0.871 30.326 29.762 -0.512 0.000 1.413 805 H HN 0.711 nan 8.280 nan 0.000 0.465 806 Q N 5.119 124.436 119.800 -0.805 0.000 2.274 806 Q HA 0.219 4.557 4.340 -0.002 0.000 0.256 806 Q C -0.763 174.879 176.000 -0.597 0.000 0.927 806 Q CA -0.657 54.843 55.803 -0.505 0.000 0.939 806 Q CB 0.631 29.205 28.738 -0.274 0.000 1.201 806 Q HN 0.566 nan 8.270 nan 0.000 0.426 807 F N 1.825 121.763 119.950 -0.021 0.000 2.373 807 F HA 0.204 4.730 4.527 -0.002 0.000 0.302 807 F C 0.650 176.491 175.800 0.069 0.000 1.247 807 F CA -0.556 57.506 58.000 0.104 0.000 1.169 807 F CB 0.376 39.477 39.000 0.167 0.000 1.309 807 F HN 0.396 nan 8.300 nan 0.000 0.537 808 L N 0.485 121.907 121.223 0.331 0.000 2.473 808 L HA 0.078 4.416 4.340 -0.002 0.000 0.268 808 L C 0.436 177.402 176.870 0.160 0.000 1.215 808 L CA -0.309 54.660 54.840 0.214 0.000 0.823 808 L CB 0.047 42.258 42.059 0.254 0.000 1.099 808 L HN 0.517 nan 8.230 nan 0.000 0.483 809 Q N 1.507 121.383 119.800 0.127 0.000 2.283 809 Q HA -0.105 4.234 4.340 -0.002 0.000 0.301 809 Q C 0.206 176.252 176.000 0.076 0.000 1.063 809 Q CA 0.835 56.700 55.803 0.103 0.000 0.952 809 Q CB 0.031 28.832 28.738 0.106 0.000 1.166 809 Q HN 0.701 nan 8.270 nan 0.000 0.381 810 N N 1.108 119.831 118.700 0.039 0.000 2.863 810 N HA -0.244 4.495 4.740 -0.002 0.000 0.245 810 N C -0.916 174.510 175.510 -0.139 0.000 1.001 810 N CA 0.977 53.995 53.050 -0.053 0.000 0.901 810 N CB -0.544 37.888 38.487 -0.091 0.000 1.124 810 N HN 0.675 nan 8.380 nan 0.000 0.582 811 E N 0.411 120.574 120.200 -0.061 0.000 2.200 811 E HA 0.225 4.573 4.350 -0.002 0.000 0.283 811 E C -1.219 175.238 176.600 -0.239 0.000 1.015 811 E CA -0.586 55.755 56.400 -0.099 0.000 0.819 811 E CB 0.573 30.307 29.700 0.056 0.000 1.081 811 E HN 0.226 nan 8.360 nan 0.000 0.397 812 Y N 3.117 123.116 120.300 -0.502 0.000 2.342 812 Y HA 0.474 5.022 4.550 -0.003 0.000 0.338 812 Y C -0.514 175.049 175.900 -0.562 0.000 0.965 812 Y CA -0.825 56.767 58.100 -0.848 0.000 1.159 812 Y CB 1.259 39.407 38.460 -0.521 0.000 1.157 812 Y HN 0.628 nan 8.280 nan 0.000 0.486 813 A N 6.972 129.566 122.820 -0.377 0.000 2.309 813 A HA 0.413 4.731 4.320 -0.002 0.000 0.290 813 A C -0.181 177.440 177.584 0.062 0.000 1.206 813 A CA -0.318 51.590 52.037 -0.215 0.000 0.850 813 A CB 0.269 19.076 19.000 -0.322 0.000 1.118 813 A HN 1.071 nan 8.150 nan 0.000 0.523 814 L N 1.877 123.128 121.223 0.047 0.000 2.547 814 L HA 0.171 4.509 4.340 -0.002 0.000 0.218 814 L C 0.826 177.770 176.870 0.122 0.000 1.048 814 L CA 0.682 55.603 54.840 0.136 0.000 0.859 814 L CB 0.197 42.291 42.059 0.060 0.000 1.128 814 L HN 0.791 nan 8.230 nan 0.000 0.483 815 S N -0.181 115.567 115.700 0.080 0.000 2.595 815 S HA 0.752 5.220 4.470 -0.002 0.000 0.281 815 S C -1.154 173.517 174.600 0.118 0.000 1.117 815 S CA -0.675 57.591 58.200 0.110 0.000 0.873 815 S CB 2.907 66.170 63.200 0.106 0.000 1.108 815 S HN 0.008 nan 8.310 nan 0.000 0.477 816 L N 1.254 122.567 121.223 0.149 0.000 2.526 816 L HA 0.814 5.152 4.340 -0.002 0.000 0.263 816 L C -1.876 175.110 176.870 0.193 0.000 0.943 816 L CA -0.300 54.653 54.840 0.188 0.000 0.859 816 L CB 1.857 44.036 42.059 0.200 0.000 1.313 816 L HN 0.748 nan 8.230 nan 0.000 0.406 817 V N 2.645 122.679 119.914 0.200 0.000 2.876 817 V HA 0.735 4.854 4.120 -0.002 0.000 0.312 817 V C -0.554 175.627 176.094 0.145 0.000 1.085 817 V CA -0.576 61.817 62.300 0.155 0.000 0.945 817 V CB 2.155 34.041 31.823 0.105 0.000 1.017 817 V HN 0.793 nan 8.190 nan 0.000 0.428 818 S N 3.126 118.854 115.700 0.047 0.000 2.566 818 S HA 0.763 5.232 4.470 -0.002 0.000 0.324 818 S C -0.617 173.895 174.600 -0.147 0.000 1.081 818 S CA -0.290 57.817 58.200 -0.156 0.000 1.105 818 S CB 0.374 63.368 63.200 -0.343 0.000 0.981 818 S HN 1.291 nan 8.310 nan 0.000 0.464 819 C N 3.343 122.549 119.300 -0.157 0.000 3.306 819 C HA 0.735 5.194 4.460 -0.002 0.000 0.335 819 C C -1.461 173.424 174.990 -0.174 0.000 1.382 819 C CA -1.211 57.727 59.018 -0.133 0.000 1.254 819 C CB 0.899 28.602 27.740 -0.061 0.000 1.555 819 C HN 0.839 nan 8.230 nan 0.000 0.463 820 K N 1.373 121.677 120.400 -0.160 0.000 2.123 820 K HA 0.860 5.179 4.320 -0.002 0.000 0.259 820 K C -1.305 175.238 176.600 -0.095 0.000 0.960 820 K CA -0.477 55.705 56.287 -0.176 0.000 0.872 820 K CB 1.536 33.933 32.500 -0.172 0.000 1.079 820 K HN 0.718 nan 8.250 nan 0.000 0.440 821 L N 0.960 122.131 121.223 -0.086 0.000 2.370 821 L HA 0.420 4.758 4.340 -0.002 0.000 0.266 821 L C 0.840 177.835 176.870 0.209 0.000 1.002 821 L CA -0.459 54.382 54.840 0.003 0.000 0.818 821 L CB 1.850 43.818 42.059 -0.152 0.000 1.325 821 L HN 1.086 nan 8.230 nan 0.000 0.418 822 G N 1.994 110.927 108.800 0.222 0.000 2.611 822 G HA2 -0.308 3.650 3.960 -0.002 0.000 0.301 822 G HA3 -0.308 3.650 3.960 -0.002 0.000 0.301 822 G C 0.470 175.469 174.900 0.164 0.000 1.233 822 G CA 0.258 45.496 45.100 0.230 0.000 0.993 822 G HN 0.582 nan 8.290 nan 0.000 0.553 823 K N 1.415 121.916 120.400 0.168 0.000 2.373 823 K HA 0.258 4.576 4.320 -0.002 0.000 0.202 823 K C 0.433 177.107 176.600 0.124 0.000 1.025 823 K CA -0.023 56.328 56.287 0.107 0.000 1.115 823 K CB 0.077 32.617 32.500 0.067 0.000 0.858 823 K HN 0.515 nan 8.250 nan 0.000 0.525 824 D N 2.182 122.715 120.400 0.221 0.000 2.383 824 D HA 0.034 4.673 4.640 -0.002 0.000 0.252 824 D C -1.463 174.885 176.300 0.080 0.000 1.166 824 D CA -1.564 52.575 54.000 0.232 0.000 0.879 824 D CB 1.526 42.649 40.800 0.539 0.000 1.164 824 D HN -0.032 nan 8.370 nan 0.000 0.462 825 P HA -0.012 nan 4.420 nan 0.000 0.235 825 P C -0.044 177.172 177.300 -0.141 0.000 1.177 825 P CA -0.041 63.030 63.100 -0.047 0.000 0.785 825 P CB 0.399 32.082 31.700 -0.028 0.000 0.885 826 N N 0.783 119.357 118.700 -0.210 0.000 2.479 826 N HA 0.079 4.818 4.740 -0.002 0.000 0.257 826 N C 0.160 175.246 175.510 -0.707 0.000 1.232 826 N CA 0.707 53.496 53.050 -0.435 0.000 0.920 826 N CB 0.166 38.349 38.487 -0.506 0.000 1.105 826 N HN -0.032 nan 8.380 nan 0.000 0.444 827 T N 1.966 116.153 114.554 -0.611 0.000 2.795 827 T HA 0.425 4.774 4.350 -0.002 0.000 0.282 827 T C -0.363 173.970 174.700 -0.612 0.000 0.980 827 T CA -0.272 61.488 62.100 -0.567 0.000 1.012 827 T CB 0.262 68.904 68.868 -0.377 0.000 0.936 827 T HN 0.240 nan 8.240 nan 0.000 0.457 828 Y N 0.526 120.678 120.300 -0.247 0.000 2.509 828 Y HA 0.585 5.133 4.550 -0.002 0.000 0.341 828 Y C -0.332 175.426 175.900 -0.238 0.000 1.038 828 Y CA -1.605 56.380 58.100 -0.192 0.000 1.089 828 Y CB 1.382 39.714 38.460 -0.215 0.000 1.241 828 Y HN 0.498 nan 8.280 nan 0.000 0.468 829 F N 2.957 123.050 119.950 0.239 0.000 2.411 829 F HA 0.460 4.985 4.527 -0.002 0.000 0.355 829 F C -0.189 175.758 175.800 0.245 0.000 1.117 829 F CA -0.659 57.465 58.000 0.207 0.000 1.139 829 F CB 0.561 39.684 39.000 0.205 0.000 1.120 829 F HN 0.120 nan 8.300 nan 0.000 0.493 830 I N 4.455 125.223 120.570 0.330 0.000 2.406 830 I HA 0.490 4.659 4.170 -0.002 0.000 0.290 830 I C -1.004 175.249 176.117 0.227 0.000 0.999 830 I CA -0.997 60.413 61.300 0.183 0.000 1.124 830 I CB 1.784 39.799 38.000 0.025 0.000 1.289 830 I HN 0.113 nan 8.210 nan 0.000 0.441 831 V N 4.338 124.387 119.914 0.225 0.000 2.495 831 V HA 0.627 4.746 4.120 -0.002 0.000 0.298 831 V C 0.464 176.595 176.094 0.062 0.000 1.031 831 V CA -0.550 61.868 62.300 0.198 0.000 0.871 831 V CB 1.772 33.810 31.823 0.359 0.000 0.988 831 V HN 0.908 nan 8.190 nan 0.000 0.432 832 G N 2.350 111.162 108.800 0.022 0.000 2.356 832 G HA2 0.668 4.627 3.960 -0.002 0.000 0.322 832 G HA3 0.668 4.627 3.960 -0.002 0.000 0.322 832 G C -0.129 174.718 174.900 -0.090 0.000 1.125 832 G CA 0.008 45.094 45.100 -0.024 0.000 0.885 832 G HN 0.852 nan 8.290 nan 0.000 0.467 833 T N -1.477 113.008 114.554 -0.115 0.000 2.831 833 T HA 0.849 5.197 4.350 -0.002 0.000 0.287 833 T C -0.422 174.173 174.700 -0.175 0.000 1.070 833 T CA -0.443 61.556 62.100 -0.168 0.000 1.010 833 T CB 2.099 70.843 68.868 -0.206 0.000 1.264 833 T HN 1.580 nan 8.240 nan 0.000 0.532 834 A N 1.346 124.045 122.820 -0.203 0.000 2.486 834 A HA 0.690 5.008 4.320 -0.002 0.000 0.300 834 A C -0.667 176.735 177.584 -0.304 0.000 1.048 834 A CA -0.994 50.884 52.037 -0.265 0.000 0.696 834 A CB 1.524 20.323 19.000 -0.335 0.000 1.278 834 A HN 0.744 nan 8.150 nan 0.000 0.405 835 M N 2.410 121.754 119.600 -0.426 0.000 2.105 835 M HA 0.297 4.776 4.480 -0.002 0.000 0.350 835 M C -0.501 175.355 176.300 -0.740 0.000 1.308 835 M CA -0.410 54.506 55.300 -0.640 0.000 1.108 835 M CB 0.376 32.463 32.600 -0.855 0.000 1.622 835 M HN 0.321 nan 8.290 nan 0.000 0.468 836 V N 6.232 125.758 119.914 -0.648 0.000 2.333 836 V HA 0.364 4.483 4.120 -0.002 0.000 0.274 836 V C -0.682 175.121 176.094 -0.485 0.000 1.028 836 V CA -0.522 61.510 62.300 -0.446 0.000 0.851 836 V CB 0.211 31.922 31.823 -0.187 0.000 1.000 836 V HN 0.652 nan 8.190 nan 0.000 0.456 837 Y N 5.103 125.367 120.300 -0.060 0.000 2.429 837 Y HA 0.383 4.931 4.550 -0.002 0.000 0.342 837 Y C -1.417 174.461 175.900 -0.036 0.000 1.004 837 Y CA -2.214 55.858 58.100 -0.046 0.000 1.075 837 Y CB 1.707 40.135 38.460 -0.053 0.000 1.214 837 Y HN 0.417 nan 8.280 nan 0.000 0.455 838 P HA -0.191 nan 4.420 nan 0.000 0.216 838 P C 0.514 177.842 177.300 0.046 0.000 1.150 838 P CA 1.665 64.796 63.100 0.053 0.000 0.843 838 P CB 0.334 32.043 31.700 0.015 0.000 0.787 839 E N -0.342 119.892 120.200 0.056 0.000 2.150 839 E HA -0.090 4.258 4.350 -0.002 0.000 0.193 839 E C 0.427 177.050 176.600 0.039 0.000 0.985 839 E CA 0.792 57.212 56.400 0.034 0.000 0.814 839 E CB -0.537 29.172 29.700 0.016 0.000 0.752 839 E HN 0.471 nan 8.360 nan 0.000 0.466 840 E N 0.040 120.277 120.200 0.061 0.000 2.200 840 E HA 0.373 4.721 4.350 -0.002 0.000 0.283 840 E C 0.320 176.936 176.600 0.027 0.000 1.015 840 E CA -0.072 56.358 56.400 0.049 0.000 0.819 840 E CB 1.530 31.276 29.700 0.076 0.000 1.081 840 E HN 0.184 nan 8.360 nan 0.000 0.397 841 A N 3.927 126.762 122.820 0.024 0.000 1.929 841 A HA -0.077 4.242 4.320 -0.002 0.000 0.216 841 A C 0.776 178.370 177.584 0.016 0.000 1.176 841 A CA 1.010 53.060 52.037 0.021 0.000 0.628 841 A CB 0.218 19.234 19.000 0.027 0.000 0.816 841 A HN 0.607 nan 8.150 nan 0.000 0.444 842 E N -0.214 119.995 120.200 0.016 0.000 2.222 842 E HA 0.405 4.754 4.350 -0.002 0.000 0.267 842 E C -2.847 173.747 176.600 -0.010 0.000 0.884 842 E CA -2.565 53.842 56.400 0.011 0.000 0.764 842 E CB 1.839 31.556 29.700 0.030 0.000 1.169 842 E HN 0.051 nan 8.360 nan 0.000 0.413 843 P HA 0.051 nan 4.420 nan 0.000 0.268 843 P C -0.394 176.875 177.300 -0.051 0.000 1.204 843 P CA 0.197 63.241 63.100 -0.094 0.000 0.768 843 P CB 0.634 32.219 31.700 -0.192 0.000 0.842 844 K N 0.926 121.313 120.400 -0.021 0.000 2.373 844 K HA 0.138 4.457 4.320 -0.002 0.000 0.200 844 K C 0.312 176.916 176.600 0.006 0.000 1.054 844 K CA 0.187 56.479 56.287 0.009 0.000 1.065 844 K CB 0.580 33.104 32.500 0.040 0.000 0.886 844 K HN 0.522 nan 8.250 nan 0.000 0.546 845 Q N -0.503 119.257 119.800 -0.066 0.000 2.359 845 Q HA 0.593 4.932 4.340 -0.002 0.000 0.274 845 Q C -0.702 175.180 176.000 -0.196 0.000 1.074 845 Q CA -0.995 54.741 55.803 -0.112 0.000 0.810 845 Q CB 2.621 31.143 28.738 -0.360 0.000 1.342 845 Q HN 0.171 nan 8.270 nan 0.000 0.427 846 G N 0.914 109.697 108.800 -0.029 0.000 2.608 846 G HA2 0.656 4.615 3.960 -0.002 0.000 0.291 846 G HA3 0.656 4.615 3.960 -0.002 0.000 0.291 846 G C -1.557 173.450 174.900 0.178 0.000 1.425 846 G CA -0.685 44.405 45.100 -0.017 0.000 0.787 846 G HN 0.360 nan 8.290 nan 0.000 0.484 847 R N -0.944 119.625 120.500 0.115 0.000 2.795 847 R HA 0.634 4.972 4.340 -0.002 0.000 0.275 847 R C -1.088 175.229 176.300 0.027 0.000 0.981 847 R CA -0.880 55.293 56.100 0.121 0.000 0.917 847 R CB 2.592 32.997 30.300 0.176 0.000 1.202 847 R HN 0.386 nan 8.270 nan 0.000 0.469 848 I N 1.987 122.549 120.570 -0.014 0.000 2.389 848 I HA 0.342 4.510 4.170 -0.002 0.000 0.288 848 I C -0.728 175.328 176.117 -0.101 0.000 0.999 848 I CA -0.939 60.321 61.300 -0.067 0.000 1.129 848 I CB 2.053 39.968 38.000 -0.143 0.000 1.288 848 I HN 0.142 nan 8.210 nan 0.000 0.444 849 V N 6.996 126.844 119.914 -0.109 0.000 2.487 849 V HA 0.387 4.506 4.120 -0.002 0.000 0.298 849 V C -0.089 175.756 176.094 -0.416 0.000 1.028 849 V CA -0.768 61.363 62.300 -0.281 0.000 0.860 849 V CB 2.073 33.730 31.823 -0.277 0.000 0.991 849 V HN 0.371 nan 8.190 nan 0.000 0.427 850 V N 5.625 125.245 119.914 -0.490 0.000 2.370 850 V HA 0.527 4.646 4.120 -0.002 0.000 0.279 850 V C -0.513 175.256 176.094 -0.541 0.000 1.029 850 V CA -0.230 61.784 62.300 -0.477 0.000 0.870 850 V CB 0.979 32.439 31.823 -0.604 0.000 0.984 850 V HN 0.665 nan 8.190 nan 0.000 0.451 851 F N 2.620 122.552 119.950 -0.030 0.000 2.522 851 F HA 0.572 5.097 4.527 -0.002 0.000 0.324 851 F C 0.228 176.163 175.800 0.225 0.000 1.077 851 F CA -0.584 57.455 58.000 0.065 0.000 0.944 851 F CB 1.878 40.945 39.000 0.111 0.000 1.175 851 F HN 0.343 nan 8.300 nan 0.000 0.468 852 Q N 2.054 122.116 119.800 0.437 0.000 2.322 852 Q HA 0.264 4.603 4.340 -0.002 0.000 0.265 852 Q C -1.804 174.399 176.000 0.338 0.000 0.985 852 Q CA -0.951 55.104 55.803 0.419 0.000 0.849 852 Q CB 1.578 30.534 28.738 0.362 0.000 1.274 852 Q HN 0.695 nan 8.270 nan 0.000 0.449 853 Y N 2.533 122.953 120.300 0.200 0.000 2.425 853 Y HA 0.391 4.939 4.550 -0.002 0.000 0.347 853 Y C -1.186 174.741 175.900 0.044 0.000 0.976 853 Y CA 0.061 58.233 58.100 0.120 0.000 1.190 853 Y CB 0.848 39.442 38.460 0.222 0.000 1.136 853 Y HN 0.493 nan 8.280 nan 0.000 0.517 854 S N 5.159 120.591 115.700 -0.446 0.000 2.572 854 S HA 0.237 4.705 4.470 -0.002 0.000 0.274 854 S C -1.513 172.830 174.600 -0.427 0.000 1.150 854 S CA -0.992 56.981 58.200 -0.378 0.000 0.944 854 S CB 1.302 64.412 63.200 -0.149 0.000 1.071 854 S HN 0.775 nan 8.310 nan 0.000 0.479 855 D N 1.731 121.913 120.400 -0.364 0.000 2.737 855 D HA -0.161 4.477 4.640 -0.002 0.000 0.238 855 D C 0.983 177.116 176.300 -0.278 0.000 1.157 855 D CA 1.482 55.337 54.000 -0.242 0.000 0.694 855 D CB -1.420 39.297 40.800 -0.139 0.000 1.021 855 D HN 1.342 nan 8.370 nan 0.000 0.420 856 G N -0.116 108.431 108.800 -0.421 0.000 2.168 856 G HA2 -0.365 3.593 3.960 -0.002 0.000 0.257 856 G HA3 -0.365 3.593 3.960 -0.002 0.000 0.257 856 G C 0.252 175.079 174.900 -0.121 0.000 0.997 856 G CA 1.073 46.076 45.100 -0.162 0.000 0.708 856 G HN 0.638 nan 8.290 nan 0.000 0.520 857 K N -0.765 119.377 120.400 -0.428 0.000 2.525 857 K HA 0.612 4.930 4.320 -0.002 0.000 0.254 857 K C -0.384 176.031 176.600 -0.309 0.000 0.934 857 K CA -0.968 55.065 56.287 -0.424 0.000 0.802 857 K CB 1.239 33.605 32.500 -0.224 0.000 1.295 857 K HN 0.067 nan 8.250 nan 0.000 0.433 858 L N 4.486 125.464 121.223 -0.409 0.000 2.265 858 L HA 0.279 4.617 4.340 -0.002 0.000 0.288 858 L C -0.127 176.787 176.870 0.073 0.000 1.058 858 L CA -0.585 54.233 54.840 -0.037 0.000 0.809 858 L CB 1.218 43.211 42.059 -0.110 0.000 1.179 858 L HN 0.449 nan 8.230 nan 0.000 0.429 859 Q N 2.312 122.203 119.800 0.152 0.000 2.241 859 Q HA 0.299 4.638 4.340 -0.002 0.000 0.254 859 Q C -0.394 175.746 176.000 0.235 0.000 0.917 859 Q CA -0.471 55.428 55.803 0.160 0.000 0.919 859 Q CB 1.753 30.556 28.738 0.108 0.000 1.237 859 Q HN 0.472 nan 8.270 nan 0.000 0.434 860 T N 2.143 116.794 114.554 0.162 0.000 2.727 860 T HA 0.145 4.493 4.350 -0.002 0.000 0.295 860 T C 1.505 176.178 174.700 -0.046 0.000 0.915 860 T CA -0.222 61.867 62.100 -0.018 0.000 1.066 860 T CB 0.530 69.371 68.868 -0.044 0.000 0.891 860 T HN 0.307 nan 8.240 nan 0.000 0.516 861 V N 2.151 122.000 119.914 -0.109 0.000 2.379 861 V HA 0.304 4.422 4.120 -0.002 0.000 0.243 861 V C 1.117 177.181 176.094 -0.049 0.000 1.035 861 V CA 1.161 63.420 62.300 -0.068 0.000 1.035 861 V CB -0.419 31.300 31.823 -0.173 0.000 0.673 861 V HN 1.002 nan 8.190 nan 0.000 0.457 862 A N 0.360 123.113 122.820 -0.111 0.000 2.566 862 A HA 0.690 5.008 4.320 -0.002 0.000 0.297 862 A C -0.997 176.508 177.584 -0.132 0.000 1.059 862 A CA -0.656 51.348 52.037 -0.054 0.000 0.691 862 A CB 1.303 20.372 19.000 0.115 0.000 1.282 862 A HN 0.438 nan 8.150 nan 0.000 0.401 863 E N 0.769 120.910 120.200 -0.099 0.000 2.256 863 E HA 0.745 5.093 4.350 -0.002 0.000 0.267 863 E C -0.831 175.725 176.600 -0.073 0.000 0.892 863 E CA -0.993 55.347 56.400 -0.100 0.000 0.775 863 E CB 2.208 31.861 29.700 -0.078 0.000 1.207 863 E HN 0.476 nan 8.360 nan 0.000 0.420 864 K N 1.690 122.050 120.400 -0.068 0.000 2.578 864 K HA 0.170 4.489 4.320 -0.002 0.000 0.250 864 K C -1.291 175.306 176.600 -0.005 0.000 0.955 864 K CA -0.519 55.736 56.287 -0.053 0.000 0.825 864 K CB 1.815 34.247 32.500 -0.113 0.000 1.151 864 K HN 0.621 nan 8.250 nan 0.000 0.432 865 E N 3.796 124.000 120.200 0.006 0.000 2.316 865 E HA 0.254 4.603 4.350 -0.002 0.000 0.275 865 E C -0.620 176.056 176.600 0.126 0.000 1.029 865 E CA -0.669 55.777 56.400 0.077 0.000 0.871 865 E CB 0.910 30.607 29.700 -0.006 0.000 1.022 865 E HN 0.452 nan 8.360 nan 0.000 0.418 866 V N 1.260 121.277 119.914 0.171 0.000 3.126 866 V HA 0.475 4.593 4.120 -0.002 0.000 0.314 866 V C -0.258 175.921 176.094 0.140 0.000 1.138 866 V CA -0.999 61.391 62.300 0.150 0.000 1.034 866 V CB 1.834 33.739 31.823 0.136 0.000 1.075 866 V HN 0.657 nan 8.190 nan 0.000 0.442 867 K N 1.558 122.024 120.400 0.109 0.000 3.129 867 K HA 0.652 4.970 4.320 -0.002 0.000 0.241 867 K C 0.200 176.825 176.600 0.043 0.000 1.239 867 K CA 0.444 56.782 56.287 0.085 0.000 1.239 867 K CB 0.266 32.816 32.500 0.084 0.000 1.347 867 K HN 1.174 nan 8.250 nan 0.000 0.435 868 G N -0.138 108.665 108.800 0.006 0.000 2.317 868 G HA2 0.371 4.329 3.960 -0.002 0.000 0.293 868 G HA3 0.371 4.329 3.960 -0.002 0.000 0.293 868 G C -1.748 173.063 174.900 -0.149 0.000 1.287 868 G CA -0.794 44.272 45.100 -0.057 0.000 0.850 868 G HN 0.157 nan 8.290 nan 0.000 0.515 869 A N -0.453 122.196 122.820 -0.285 0.000 2.362 869 A HA 0.578 4.897 4.320 -0.002 0.000 0.276 869 A C 0.304 177.554 177.584 -0.556 0.000 1.153 869 A CA -0.250 51.470 52.037 -0.528 0.000 0.813 869 A CB 0.667 19.124 19.000 -0.905 0.000 1.081 869 A HN 1.454 nan 8.150 nan 0.000 0.507 870 V N 5.076 124.773 119.914 -0.361 0.000 2.267 870 V HA 0.033 4.152 4.120 -0.002 0.000 0.254 870 V C 0.475 176.469 176.094 -0.166 0.000 1.144 870 V CA 0.210 62.395 62.300 -0.192 0.000 0.992 870 V CB -1.643 30.141 31.823 -0.065 0.000 1.199 870 V HN 0.975 nan 8.190 nan 0.000 0.493 871 Y N 1.664 121.951 120.300 -0.023 0.000 2.242 871 Y HA -0.037 4.511 4.550 -0.002 0.000 0.291 871 Y C 1.680 177.577 175.900 -0.006 0.000 1.137 871 Y CA 1.346 59.423 58.100 -0.038 0.000 1.181 871 Y CB 0.401 38.800 38.460 -0.102 0.000 0.989 871 Y HN 0.569 nan 8.280 nan 0.000 0.527 872 S N -0.352 115.444 115.700 0.160 0.000 2.546 872 S HA 0.675 5.143 4.470 -0.002 0.000 0.274 872 S C -1.144 173.522 174.600 0.110 0.000 1.121 872 S CA -0.768 57.511 58.200 0.131 0.000 0.887 872 S CB 0.898 64.166 63.200 0.113 0.000 1.094 872 S HN 0.088 nan 8.310 nan 0.000 0.474 873 M N 3.172 122.842 119.600 0.116 0.000 2.433 873 M HA 0.591 5.070 4.480 -0.002 0.000 0.290 873 M C -1.570 174.802 176.300 0.121 0.000 1.173 873 M CA -0.767 54.600 55.300 0.111 0.000 0.905 873 M CB 2.236 34.899 32.600 0.104 0.000 1.692 873 M HN 0.453 nan 8.290 nan 0.000 0.462 874 V N 1.805 121.792 119.914 0.122 0.000 2.888 874 V HA 0.402 4.521 4.120 -0.002 0.000 0.309 874 V C -0.989 175.198 176.094 0.156 0.000 1.114 874 V CA -0.468 61.916 62.300 0.139 0.000 0.940 874 V CB 2.306 34.219 31.823 0.149 0.000 1.021 874 V HN 0.888 nan 8.190 nan 0.000 0.426 875 E N 4.375 124.658 120.200 0.138 0.000 2.366 875 E HA 0.104 4.453 4.350 -0.002 0.000 0.266 875 E C -1.752 174.970 176.600 0.203 0.000 1.015 875 E CA 0.083 56.562 56.400 0.131 0.000 0.906 875 E CB 0.786 30.526 29.700 0.068 0.000 0.979 875 E HN 0.554 nan 8.360 nan 0.000 0.443 876 F N 5.250 125.215 119.950 0.026 0.000 2.676 876 F HA 0.237 4.762 4.527 -0.003 0.000 0.371 876 F C -0.190 175.604 175.800 -0.009 0.000 1.141 876 F CA -0.653 57.357 58.000 0.016 0.000 1.133 876 F CB -0.013 38.995 39.000 0.015 0.000 1.376 876 F HN 0.619 nan 8.300 nan 0.000 0.491 877 N N 3.724 122.233 118.700 -0.320 0.000 2.725 877 N HA -0.193 4.545 4.740 -0.002 0.000 0.251 877 N C 0.915 176.365 175.510 -0.101 0.000 1.031 877 N CA 0.886 53.769 53.050 -0.278 0.000 0.720 877 N CB -1.039 37.169 38.487 -0.466 0.000 0.930 877 N HN 1.199 nan 8.380 nan 0.000 0.543 878 G N -1.479 107.302 108.800 -0.033 0.000 2.162 878 G HA2 -0.373 3.586 3.960 -0.002 0.000 0.260 878 G HA3 -0.373 3.586 3.960 -0.002 0.000 0.260 878 G C 0.063 175.003 174.900 0.067 0.000 0.976 878 G CA 1.014 46.124 45.100 0.016 0.000 0.655 878 G HN 0.546 nan 8.290 nan 0.000 0.533 879 K N -1.171 119.282 120.400 0.088 0.000 2.313 879 K HA 0.807 5.126 4.320 -0.002 0.000 0.235 879 K C -0.951 175.754 176.600 0.174 0.000 1.035 879 K CA -1.193 55.181 56.287 0.144 0.000 0.868 879 K CB 1.979 34.561 32.500 0.136 0.000 1.232 879 K HN 0.139 nan 8.250 nan 0.000 0.459 880 L N 2.356 123.695 121.223 0.193 0.000 2.318 880 L HA 0.360 4.698 4.340 -0.002 0.000 0.277 880 L C -1.500 175.499 176.870 0.215 0.000 1.008 880 L CA -0.713 54.239 54.840 0.187 0.000 0.846 880 L CB 1.023 43.170 42.059 0.147 0.000 1.220 880 L HN 0.443 nan 8.230 nan 0.000 0.423 881 L N 5.338 126.658 121.223 0.162 0.000 2.305 881 L HA 0.832 5.170 4.340 -0.002 0.000 0.281 881 L C -0.285 176.654 176.870 0.116 0.000 1.085 881 L CA 0.266 55.159 54.840 0.089 0.000 0.813 881 L CB 1.092 43.128 42.059 -0.039 0.000 1.157 881 L HN 0.764 nan 8.230 nan 0.000 0.436 882 A N 3.074 125.972 122.820 0.129 0.000 2.449 882 A HA 0.767 5.086 4.320 -0.002 0.000 0.302 882 A C -0.812 176.823 177.584 0.085 0.000 1.048 882 A CA -0.328 51.788 52.037 0.133 0.000 0.708 882 A CB 1.505 20.637 19.000 0.220 0.000 1.274 882 A HN 0.733 nan 8.150 nan 0.000 0.410 883 S N 0.624 116.368 115.700 0.074 0.000 2.462 883 S HA 0.778 5.247 4.470 -0.002 0.000 0.294 883 S C -0.679 173.971 174.600 0.084 0.000 1.144 883 S CA -0.396 57.845 58.200 0.068 0.000 1.088 883 S CB 0.676 63.912 63.200 0.060 0.000 1.009 883 S HN 0.507 nan 8.310 nan 0.000 0.484 884 I N 3.241 123.855 120.570 0.074 0.000 2.476 884 I HA 0.395 4.564 4.170 -0.002 0.000 0.281 884 I C 0.184 176.342 176.117 0.069 0.000 1.040 884 I CA -0.228 61.094 61.300 0.037 0.000 1.094 884 I CB 1.029 39.062 38.000 0.055 0.000 1.219 884 I HN 0.709 nan 8.210 nan 0.000 0.450 885 N N 3.050 121.806 118.700 0.093 0.000 1.758 885 N HA -0.313 4.426 4.740 -0.002 0.000 0.152 885 N C 1.174 176.778 175.510 0.158 0.000 0.558 885 N CA 2.350 55.513 53.050 0.188 0.000 1.229 885 N CB -1.008 37.536 38.487 0.094 0.000 1.337 885 N HN 0.709 nan 8.380 nan 0.000 0.432 886 S N -1.168 114.589 115.700 0.096 0.000 2.572 886 S HA 0.378 4.846 4.470 -0.002 0.000 0.228 886 S C 0.071 174.708 174.600 0.061 0.000 0.963 886 S CA -0.023 58.213 58.200 0.060 0.000 0.939 886 S CB 0.259 63.485 63.200 0.043 0.000 0.804 886 S HN 0.459 nan 8.310 nan 0.000 0.480 887 T N 2.100 116.694 114.554 0.066 0.000 2.824 887 T HA 0.579 4.928 4.350 -0.002 0.000 0.280 887 T C -0.575 174.122 174.700 -0.005 0.000 0.995 887 T CA -0.489 61.621 62.100 0.016 0.000 1.009 887 T CB 1.845 70.738 68.868 0.041 0.000 0.955 887 T HN 0.067 nan 8.240 nan 0.000 0.452 888 V N 3.989 123.879 119.914 -0.040 0.000 2.370 888 V HA 0.564 4.683 4.120 -0.002 0.000 0.283 888 V C 0.199 176.306 176.094 0.021 0.000 1.023 888 V CA -0.710 61.548 62.300 -0.069 0.000 0.857 888 V CB 1.306 32.991 31.823 -0.230 0.000 0.985 888 V HN 0.677 nan 8.190 nan 0.000 0.443 889 R N 3.802 124.326 120.500 0.041 0.000 2.575 889 R HA 0.588 4.927 4.340 -0.002 0.000 0.293 889 R C -1.824 174.467 176.300 -0.015 0.000 0.983 889 R CA -0.872 55.224 56.100 -0.007 0.000 0.887 889 R CB 2.032 32.222 30.300 -0.183 0.000 1.184 889 R HN 0.580 nan 8.270 nan 0.000 0.445 890 L N 4.528 125.698 121.223 -0.088 0.000 2.282 890 L HA 0.426 4.764 4.340 -0.002 0.000 0.288 890 L C -1.590 175.159 176.870 -0.201 0.000 1.033 890 L CA -0.245 54.530 54.840 -0.109 0.000 0.807 890 L CB 0.874 42.803 42.059 -0.217 0.000 1.209 890 L HN 0.516 nan 8.230 nan 0.000 0.423 891 Y N 2.913 123.225 120.300 0.020 0.000 2.387 891 Y HA 0.494 5.042 4.550 -0.002 0.000 0.336 891 Y C 0.131 176.071 175.900 0.068 0.000 1.067 891 Y CA -0.491 57.637 58.100 0.047 0.000 1.114 891 Y CB 1.601 40.108 38.460 0.079 0.000 1.208 891 Y HN 0.541 nan 8.280 nan 0.000 0.458 892 E N 2.292 122.648 120.200 0.261 0.000 2.191 892 E HA 0.074 4.423 4.350 -0.002 0.000 0.274 892 E C -1.352 175.426 176.600 0.297 0.000 0.948 892 E CA -0.805 55.725 56.400 0.216 0.000 0.802 892 E CB 1.603 31.376 29.700 0.122 0.000 1.137 892 E HN 0.608 nan 8.360 nan 0.000 0.397 893 W N 4.024 125.363 121.300 0.064 0.000 2.342 893 W HA 0.165 4.824 4.660 -0.002 0.000 0.310 893 W C -0.610 175.930 176.519 0.036 0.000 1.128 893 W CA -0.370 57.001 57.345 0.043 0.000 1.322 893 W CB 1.187 30.680 29.460 0.054 0.000 1.251 893 W HN 0.408 nan 8.180 nan 0.000 0.439 894 T N 2.800 117.166 114.554 -0.313 0.000 2.868 894 T HA -0.041 4.307 4.350 -0.002 0.000 0.292 894 T C 1.765 176.197 174.700 -0.448 0.000 1.028 894 T CA 0.623 62.538 62.100 -0.307 0.000 1.059 894 T CB 1.421 70.135 68.868 -0.257 0.000 0.991 894 T HN 0.566 nan 8.240 nan 0.000 0.531 895 T N -0.007 114.399 114.554 -0.247 0.000 2.915 895 T HA -0.072 4.276 4.350 -0.002 0.000 0.269 895 T C 1.147 175.705 174.700 -0.237 0.000 1.071 895 T CA 0.978 62.958 62.100 -0.201 0.000 1.132 895 T CB -0.193 68.614 68.868 -0.102 0.000 0.878 895 T HN 0.548 nan 8.240 nan 0.000 0.479 896 E N 1.120 121.165 120.200 -0.257 0.000 2.445 896 E HA 0.285 4.634 4.350 -0.002 0.000 0.189 896 E C 0.265 176.642 176.600 -0.371 0.000 1.069 896 E CA -0.120 56.137 56.400 -0.238 0.000 0.871 896 E CB -0.318 29.282 29.700 -0.167 0.000 0.991 896 E HN 0.527 nan 8.360 nan 0.000 0.481 897 K N 0.834 120.829 120.400 -0.675 0.000 3.150 897 K HA -0.243 4.075 4.320 -0.002 0.000 0.267 897 K C -0.571 175.479 176.600 -0.917 0.000 1.028 897 K CA 0.844 56.428 56.287 -1.172 0.000 0.753 897 K CB -1.511 30.686 32.500 -0.506 0.000 1.288 897 K HN 0.459 nan 8.250 nan 0.000 0.473 898 E N -0.440 119.336 120.200 -0.706 0.000 2.281 898 E HA 0.604 4.952 4.350 -0.002 0.000 0.262 898 E C -0.547 175.957 176.600 -0.160 0.000 0.933 898 E CA -1.129 55.073 56.400 -0.330 0.000 0.809 898 E CB 1.079 30.685 29.700 -0.157 0.000 1.242 898 E HN 0.133 nan 8.360 nan 0.000 0.418 899 L N 1.541 122.817 121.223 0.090 0.000 2.290 899 L HA 0.418 4.756 4.340 -0.002 0.000 0.284 899 L C 0.331 177.329 176.870 0.213 0.000 1.078 899 L CA -0.388 54.544 54.840 0.154 0.000 0.815 899 L CB 0.714 42.668 42.059 -0.175 0.000 1.162 899 L HN 0.507 nan 8.230 nan 0.000 0.435 900 R N 1.962 122.652 120.500 0.315 0.000 2.439 900 R HA 0.332 4.671 4.340 -0.002 0.000 0.310 900 R C -0.794 175.656 176.300 0.250 0.000 0.955 900 R CA -0.593 55.661 56.100 0.258 0.000 0.853 900 R CB 1.472 31.834 30.300 0.103 0.000 1.171 900 R HN 0.548 nan 8.270 nan 0.000 0.449 901 T N 3.326 117.940 114.554 0.099 0.000 2.831 901 T HA -0.053 4.295 4.350 -0.002 0.000 0.291 901 T C 1.029 175.654 174.700 -0.124 0.000 0.981 901 T CA 0.387 62.352 62.100 -0.225 0.000 1.174 901 T CB 0.870 69.600 68.868 -0.231 0.000 0.929 901 T HN 0.660 nan 8.240 nan 0.000 0.532 902 E N 1.230 121.332 120.200 -0.164 0.000 2.127 902 E HA 0.047 4.396 4.350 -0.002 0.000 0.191 902 E C 0.480 176.972 176.600 -0.179 0.000 0.964 902 E CA 0.413 56.739 56.400 -0.123 0.000 0.832 902 E CB 0.389 30.029 29.700 -0.101 0.000 0.790 902 E HN 0.882 nan 8.360 nan 0.000 0.465 903 C N -0.570 118.552 119.300 -0.297 0.000 3.311 903 C HA 0.641 5.100 4.460 -0.002 0.000 0.325 903 C C -1.136 173.668 174.990 -0.311 0.000 1.352 903 C CA -1.421 57.389 59.018 -0.348 0.000 1.308 903 C CB 0.976 28.399 27.740 -0.529 0.000 1.619 903 C HN 0.113 nan 8.230 nan 0.000 0.469 904 N N 0.590 119.173 118.700 -0.196 0.000 2.238 904 N HA 0.484 5.223 4.740 -0.002 0.000 0.302 904 N C -1.752 173.675 175.510 -0.139 0.000 1.072 904 N CA -0.267 52.650 53.050 -0.222 0.000 0.792 904 N CB 1.723 39.903 38.487 -0.513 0.000 1.425 904 N HN 0.947 nan 8.380 nan 0.000 0.478 905 H N 1.869 120.795 119.070 -0.240 0.000 2.547 905 H HA 0.221 4.776 4.556 -0.002 0.000 0.342 905 H C -0.602 174.487 175.328 -0.398 0.000 1.048 905 H CA -0.213 55.681 56.048 -0.258 0.000 1.204 905 H CB 0.908 30.525 29.762 -0.241 0.000 1.493 905 H HN 0.645 nan 8.280 nan 0.000 0.511 906 Y N 2.715 122.714 120.300 -0.501 0.000 2.444 906 Y HA 0.028 4.577 4.550 -0.002 0.000 0.249 906 Y C 1.221 176.892 175.900 -0.382 0.000 1.134 906 Y CA -0.308 57.602 58.100 -0.316 0.000 1.261 906 Y CB 0.588 38.942 38.460 -0.178 0.000 1.143 906 Y HN 0.454 nan 8.280 nan 0.000 0.523 907 N N 2.163 120.482 118.700 -0.635 0.000 3.245 907 N HA 0.089 4.828 4.740 -0.002 0.000 0.296 907 N C -1.637 173.838 175.510 -0.059 0.000 1.254 907 N CA 0.111 52.996 53.050 -0.275 0.000 1.190 907 N CB -0.880 37.483 38.487 -0.206 0.000 1.460 907 N HN 0.325 nan 8.380 nan 0.000 0.538 908 N N -0.111 118.564 118.700 -0.042 0.000 2.494 908 N HA 0.360 5.099 4.740 -0.002 0.000 0.270 908 N C 0.296 175.782 175.510 -0.039 0.000 1.285 908 N CA -0.704 52.333 53.050 -0.021 0.000 0.812 908 N CB 1.400 39.888 38.487 0.003 0.000 1.557 908 N HN -0.072 nan 8.380 nan 0.000 0.487 909 I N -0.081 120.447 120.570 -0.069 0.000 2.494 909 I HA 0.233 4.401 4.170 -0.002 0.000 0.250 909 I C 0.225 176.304 176.117 -0.062 0.000 1.112 909 I CA 0.995 62.251 61.300 -0.073 0.000 1.438 909 I CB 0.268 38.197 38.000 -0.118 0.000 1.111 909 I HN 0.495 nan 8.210 nan 0.000 0.431 910 M N 0.109 119.653 119.600 -0.094 0.000 2.331 910 M HA 0.421 4.899 4.480 -0.002 0.000 0.228 910 M C -1.632 174.568 176.300 -0.167 0.000 0.986 910 M CA -0.439 54.796 55.300 -0.109 0.000 0.972 910 M CB 1.359 33.857 32.600 -0.171 0.000 2.359 910 M HN -0.042 nan 8.290 nan 0.000 0.459 911 A N 5.531 128.293 122.820 -0.098 0.000 2.807 911 A HA 0.453 4.772 4.320 -0.002 0.000 0.307 911 A C 0.389 177.855 177.584 -0.196 0.000 1.532 911 A CA -0.391 51.577 52.037 -0.115 0.000 1.215 911 A CB -0.414 18.559 19.000 -0.045 0.000 1.127 911 A HN 1.021 nan 8.150 nan 0.000 0.543 912 L N 0.968 121.921 121.223 -0.450 0.000 2.209 912 L HA 0.093 4.431 4.340 -0.002 0.000 0.207 912 L C -0.179 176.257 176.870 -0.724 0.000 1.094 912 L CA 0.770 55.130 54.840 -0.799 0.000 0.790 912 L CB -0.216 41.036 42.059 -1.345 0.000 0.932 912 L HN 0.697 nan 8.230 nan 0.000 0.447 913 Y N -0.311 119.982 120.300 -0.011 0.000 2.376 913 Y HA 0.611 5.159 4.550 -0.002 0.000 0.340 913 Y C -0.614 175.290 175.900 0.007 0.000 0.965 913 Y CA -1.126 56.985 58.100 0.019 0.000 1.078 913 Y CB 1.794 40.267 38.460 0.020 0.000 1.193 913 Y HN -0.261 nan 8.280 nan 0.000 0.452 914 L N 4.503 125.829 121.223 0.172 0.000 2.409 914 L HA 0.575 4.914 4.340 -0.002 0.000 0.272 914 L C -0.871 176.073 176.870 0.122 0.000 0.980 914 L CA -1.311 53.584 54.840 0.091 0.000 0.826 914 L CB 1.718 43.810 42.059 0.055 0.000 1.268 914 L HN 0.582 nan 8.230 nan 0.000 0.407 915 K N 1.679 122.140 120.400 0.102 0.000 2.443 915 K HA 0.822 5.140 4.320 -0.002 0.000 0.251 915 K C -0.988 175.697 176.600 0.142 0.000 0.972 915 K CA -0.700 55.668 56.287 0.135 0.000 0.833 915 K CB 2.533 35.121 32.500 0.148 0.000 1.317 915 K HN 0.488 nan 8.250 nan 0.000 0.441 916 T N 1.311 115.976 114.554 0.185 0.000 2.912 916 T HA 0.418 4.767 4.350 -0.002 0.000 0.299 916 T C -1.195 173.635 174.700 0.215 0.000 1.052 916 T CA -0.683 61.569 62.100 0.253 0.000 0.996 916 T CB 1.917 71.007 68.868 0.370 0.000 1.070 916 T HN 0.388 nan 8.240 nan 0.000 0.465 917 K N 1.831 122.385 120.400 0.256 0.000 2.578 917 K HA 0.540 4.859 4.320 -0.002 0.000 0.250 917 K C 0.857 177.606 176.600 0.247 0.000 0.955 917 K CA 0.014 56.409 56.287 0.179 0.000 0.825 917 K CB 1.075 33.644 32.500 0.114 0.000 1.151 917 K HN 0.851 nan 8.250 nan 0.000 0.432 918 G N 3.904 112.784 108.800 0.133 0.000 2.634 918 G HA2 -0.353 3.605 3.960 -0.002 0.000 0.318 918 G HA3 -0.353 3.605 3.960 -0.002 0.000 0.318 918 G C 0.345 175.302 174.900 0.095 0.000 1.207 918 G CA 0.743 45.910 45.100 0.110 0.000 0.987 918 G HN 0.727 nan 8.290 nan 0.000 0.547 919 D N 0.754 121.312 120.400 0.264 0.000 2.349 919 D HA 0.320 4.959 4.640 -0.002 0.000 0.214 919 D C 0.491 176.988 176.300 0.327 0.000 1.063 919 D CA 0.107 54.282 54.000 0.293 0.000 0.847 919 D CB 0.008 40.893 40.800 0.142 0.000 0.933 919 D HN 0.150 nan 8.370 nan 0.000 0.513 920 F N 0.515 120.648 119.950 0.305 0.000 2.385 920 F HA 0.436 4.962 4.527 -0.002 0.000 0.336 920 F C 0.623 176.535 175.800 0.188 0.000 1.100 920 F CA -0.670 57.454 58.000 0.207 0.000 1.116 920 F CB 1.137 40.229 39.000 0.154 0.000 1.166 920 F HN -0.330 nan 8.300 nan 0.000 0.511 921 I N 3.996 124.660 120.570 0.156 0.000 2.466 921 I HA 0.283 4.451 4.170 -0.002 0.000 0.289 921 I C -1.302 174.752 176.117 -0.105 0.000 1.026 921 I CA -0.831 60.459 61.300 -0.016 0.000 1.078 921 I CB 1.932 39.779 38.000 -0.256 0.000 1.249 921 I HN 0.308 nan 8.210 nan 0.000 0.429 922 L N 8.418 129.596 121.223 -0.074 0.000 2.265 922 L HA 0.532 4.871 4.340 -0.002 0.000 0.289 922 L C -0.669 176.135 176.870 -0.111 0.000 1.033 922 L CA -0.276 54.474 54.840 -0.150 0.000 0.814 922 L CB 1.316 43.320 42.059 -0.092 0.000 1.203 922 L HN 0.309 nan 8.230 nan 0.000 0.423 923 V N 4.729 124.546 119.914 -0.162 0.000 2.394 923 V HA 0.645 4.763 4.120 -0.002 0.000 0.282 923 V C 0.723 176.788 176.094 -0.048 0.000 1.031 923 V CA -0.439 61.791 62.300 -0.117 0.000 0.881 923 V CB 1.202 32.908 31.823 -0.195 0.000 0.982 923 V HN 0.888 nan 8.190 nan 0.000 0.451 924 G N 2.657 111.492 108.800 0.058 0.000 2.335 924 G HA2 0.510 4.469 3.960 -0.002 0.000 0.314 924 G HA3 0.510 4.469 3.960 -0.002 0.000 0.314 924 G C -0.926 174.034 174.900 0.100 0.000 1.129 924 G CA -0.253 44.948 45.100 0.167 0.000 0.912 924 G HN 0.740 nan 8.290 nan 0.000 0.443 925 D N 1.707 122.125 120.400 0.030 0.000 2.229 925 D HA 0.264 4.903 4.640 -0.002 0.000 0.249 925 D C 1.584 177.839 176.300 -0.076 0.000 1.027 925 D CA -0.772 53.184 54.000 -0.074 0.000 0.923 925 D CB 1.725 42.459 40.800 -0.111 0.000 1.174 925 D HN 0.122 nan 8.370 nan 0.000 0.443 926 L N 3.046 124.169 121.223 -0.167 0.000 2.043 926 L HA -0.137 4.202 4.340 -0.002 0.000 0.212 926 L C 1.516 178.183 176.870 -0.337 0.000 1.075 926 L CA 2.020 56.766 54.840 -0.157 0.000 0.752 926 L CB -0.241 41.707 42.059 -0.185 0.000 0.891 926 L HN 0.765 nan 8.230 nan 0.000 0.432 927 M N -4.281 115.004 119.600 -0.525 0.000 2.231 927 M HA 0.311 4.790 4.480 -0.002 0.000 0.347 927 M C 0.847 176.836 176.300 -0.518 0.000 0.901 927 M CA 0.106 54.851 55.300 -0.925 0.000 1.064 927 M CB 0.496 32.299 32.600 -1.329 0.000 1.861 927 M HN -0.127 nan 8.290 nan 0.000 0.638 928 R N 1.809 122.127 120.500 -0.303 0.000 2.831 928 R HA 0.401 4.740 4.340 -0.002 0.000 0.337 928 R C 0.332 176.542 176.300 -0.149 0.000 1.200 928 R CA 0.100 56.076 56.100 -0.208 0.000 1.088 928 R CB 0.503 30.697 30.300 -0.176 0.000 1.397 928 R HN 0.566 nan 8.270 nan 0.000 0.581 929 S N -0.435 115.206 115.700 -0.099 0.000 3.938 929 S HA -0.246 4.222 4.470 -0.002 0.000 0.624 929 S C 0.199 174.818 174.600 0.032 0.000 2.186 929 S CA 1.174 59.387 58.200 0.022 0.000 4.144 929 S CB -0.555 62.632 63.200 -0.021 0.000 0.230 929 S HN 0.171 nan 8.310 nan 0.000 0.755 930 V N 2.000 121.937 119.914 0.037 0.000 2.628 930 V HA 0.761 4.880 4.120 -0.002 0.000 0.306 930 V C -0.176 175.832 176.094 -0.143 0.000 1.045 930 V CA -0.495 61.800 62.300 -0.009 0.000 0.905 930 V CB 1.633 33.511 31.823 0.091 0.000 0.997 930 V HN 0.701 nan 8.190 nan 0.000 0.436 931 L N 5.075 126.180 121.223 -0.197 0.000 2.408 931 L HA 0.619 4.958 4.340 -0.002 0.000 0.268 931 L C -1.491 175.185 176.870 -0.323 0.000 0.986 931 L CA -0.823 53.856 54.840 -0.267 0.000 0.820 931 L CB 1.967 43.872 42.059 -0.256 0.000 1.303 931 L HN 0.603 nan 8.230 nan 0.000 0.411 932 L N 5.427 126.450 121.223 -0.334 0.000 2.262 932 L HA 0.507 4.845 4.340 -0.002 0.000 0.288 932 L C -1.014 175.715 176.870 -0.236 0.000 1.035 932 L CA 0.033 54.676 54.840 -0.328 0.000 0.820 932 L CB 1.084 42.929 42.059 -0.357 0.000 1.204 932 L HN 0.485 nan 8.230 nan 0.000 0.424 933 L N 4.513 125.575 121.223 -0.268 0.000 2.352 933 L HA 0.889 5.227 4.340 -0.002 0.000 0.269 933 L C -0.028 176.732 176.870 -0.184 0.000 1.034 933 L CA -0.756 53.911 54.840 -0.288 0.000 0.806 933 L CB 1.705 43.443 42.059 -0.535 0.000 1.244 933 L HN 0.728 nan 8.230 nan 0.000 0.447 934 A N 1.147 123.864 122.820 -0.173 0.000 2.371 934 A HA 0.500 4.819 4.320 -0.002 0.000 0.311 934 A C -1.489 176.128 177.584 0.055 0.000 1.068 934 A CA -0.428 51.472 52.037 -0.227 0.000 0.744 934 A CB 1.056 19.767 19.000 -0.480 0.000 1.239 934 A HN 0.558 nan 8.150 nan 0.000 0.435 935 Y N 2.556 122.902 120.300 0.076 0.000 2.377 935 Y HA 0.426 4.975 4.550 -0.002 0.000 0.330 935 Y C -0.174 175.752 175.900 0.043 0.000 1.108 935 Y CA -0.308 57.893 58.100 0.168 0.000 1.308 935 Y CB 0.903 39.579 38.460 0.360 0.000 1.216 935 Y HN 0.435 nan 8.280 nan 0.000 0.518 936 K N 8.841 128.849 120.400 -0.654 0.000 2.299 936 K HA 0.247 4.566 4.320 -0.002 0.000 0.268 936 K C -2.241 173.830 176.600 -0.881 0.000 1.075 936 K CA -2.197 53.750 56.287 -0.566 0.000 0.936 936 K CB 1.076 33.392 32.500 -0.306 0.000 1.228 936 K HN 0.491 nan 8.250 nan 0.000 0.454 937 P HA -0.020 nan 4.420 nan 0.000 0.218 937 P C 1.020 178.196 177.300 -0.206 0.000 1.149 937 P CA 1.188 64.061 63.100 -0.378 0.000 0.817 937 P CB 0.215 31.873 31.700 -0.068 0.000 0.785 938 M N -1.692 117.802 119.600 -0.177 0.000 2.506 938 M HA -0.036 4.442 4.480 -0.002 0.000 0.260 938 M C 1.348 177.583 176.300 -0.108 0.000 1.104 938 M CA 1.379 56.618 55.300 -0.103 0.000 1.112 938 M CB -0.206 32.350 32.600 -0.073 0.000 1.401 938 M HN -0.161 nan 8.290 nan 0.000 0.473 939 E N -0.482 119.618 120.200 -0.167 0.000 2.389 939 E HA 0.186 4.534 4.350 -0.002 0.000 0.199 939 E C 0.960 177.481 176.600 -0.132 0.000 0.978 939 E CA 0.564 56.884 56.400 -0.133 0.000 0.912 939 E CB 0.562 30.185 29.700 -0.128 0.000 0.907 939 E HN 0.430 nan 8.360 nan 0.000 0.494 940 G N 1.551 110.229 108.800 -0.204 0.000 2.246 940 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.273 940 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.273 940 G C -0.171 174.685 174.900 -0.073 0.000 1.055 940 G CA 0.444 45.508 45.100 -0.059 0.000 0.851 940 G HN 0.154 nan 8.290 nan 0.000 0.500 941 N N -1.215 117.356 118.700 -0.215 0.000 2.357 941 N HA 0.683 5.421 4.740 -0.002 0.000 0.284 941 N C -0.476 174.941 175.510 -0.154 0.000 1.236 941 N CA -0.752 52.192 53.050 -0.177 0.000 0.774 941 N CB 1.128 39.551 38.487 -0.106 0.000 1.534 941 N HN 0.026 nan 8.380 nan 0.000 0.478 942 F N 0.545 120.498 119.950 0.006 0.000 2.384 942 F HA 0.303 4.828 4.527 -0.002 0.000 0.338 942 F C 1.047 176.821 175.800 -0.043 0.000 1.103 942 F CA -0.405 57.581 58.000 -0.024 0.000 1.157 942 F CB 1.271 40.249 39.000 -0.037 0.000 1.167 942 F HN 0.187 nan 8.300 nan 0.000 0.529 943 E N 2.808 123.090 120.200 0.137 0.000 2.224 943 E HA 0.175 4.524 4.350 -0.002 0.000 0.265 943 E C -1.164 175.428 176.600 -0.013 0.000 0.878 943 E CA -0.708 55.721 56.400 0.048 0.000 0.759 943 E CB 1.271 30.969 29.700 -0.003 0.000 1.164 943 E HN 0.601 nan 8.360 nan 0.000 0.414 944 E N 4.357 124.557 120.200 -0.001 0.000 2.324 944 E HA 0.068 4.417 4.350 -0.002 0.000 0.271 944 E C 0.623 177.210 176.600 -0.021 0.000 1.028 944 E CA 0.180 56.552 56.400 -0.047 0.000 0.890 944 E CB 1.110 30.816 29.700 0.009 0.000 1.004 944 E HN 0.552 nan 8.360 nan 0.000 0.431 945 I N 1.636 122.184 120.570 -0.036 0.000 2.685 945 I HA 0.135 4.303 4.170 -0.002 0.000 0.251 945 I C 0.722 176.859 176.117 0.033 0.000 1.102 945 I CA 0.324 61.637 61.300 0.022 0.000 1.442 945 I CB 0.382 38.426 38.000 0.072 0.000 1.194 945 I HN 0.431 nan 8.210 nan 0.000 0.448 946 A N 0.528 123.337 122.820 -0.018 0.000 2.605 946 A HA 0.736 5.054 4.320 -0.002 0.000 0.294 946 A C -1.019 176.476 177.584 -0.149 0.000 1.062 946 A CA -0.493 51.533 52.037 -0.018 0.000 0.682 946 A CB 1.633 20.667 19.000 0.056 0.000 1.278 946 A HN 0.134 nan 8.150 nan 0.000 0.410 947 R N 0.729 121.082 120.500 -0.245 0.000 2.686 947 R HA 0.473 4.812 4.340 -0.002 0.000 0.283 947 R C -1.609 174.422 176.300 -0.449 0.000 0.978 947 R CA -0.571 55.229 56.100 -0.501 0.000 0.897 947 R CB 1.616 31.331 30.300 -0.975 0.000 1.192 947 R HN 0.777 nan 8.270 nan 0.000 0.457 948 D N 3.539 123.762 120.400 -0.295 0.000 2.338 948 D HA 0.037 4.676 4.640 -0.002 0.000 0.255 948 D C 0.048 176.191 176.300 -0.262 0.000 1.237 948 D CA 0.023 53.934 54.000 -0.147 0.000 0.883 948 D CB 0.343 41.128 40.800 -0.025 0.000 1.087 948 D HN 0.465 nan 8.370 nan 0.000 0.485 949 F N 1.698 121.603 119.950 -0.074 0.000 2.780 949 F HA 0.093 4.618 4.527 -0.003 0.000 0.299 949 F C 1.170 176.931 175.800 -0.065 0.000 1.146 949 F CA -0.202 57.749 58.000 -0.081 0.000 1.428 949 F CB -0.056 38.894 39.000 -0.084 0.000 1.115 949 F HN 0.217 nan 8.300 nan 0.000 0.583 950 N N 3.455 122.180 118.700 0.041 0.000 2.452 950 N HA 0.071 4.810 4.740 -0.002 0.000 0.266 950 N C -2.504 172.962 175.510 -0.073 0.000 1.175 950 N CA -0.992 52.039 53.050 -0.032 0.000 0.945 950 N CB 0.296 38.710 38.487 -0.121 0.000 1.063 950 N HN -0.048 nan 8.380 nan 0.000 0.472 951 P HA 0.141 nan 4.420 nan 0.000 0.271 951 P C -0.710 176.550 177.300 -0.067 0.000 1.216 951 P CA -0.003 63.045 63.100 -0.086 0.000 0.771 951 P CB 0.814 32.474 31.700 -0.068 0.000 0.864 952 N N 2.205 120.849 118.700 -0.093 0.000 2.324 952 N HA 0.132 4.870 4.740 -0.002 0.000 0.285 952 N C -1.319 174.195 175.510 0.007 0.000 1.076 952 N CA -0.282 52.786 53.050 0.031 0.000 0.864 952 N CB 1.071 39.599 38.487 0.067 0.000 1.632 952 N HN 0.349 nan 8.380 nan 0.000 0.478 953 W N 2.879 124.199 121.300 0.033 0.000 2.365 953 W HA 0.336 4.995 4.660 -0.002 0.000 0.371 953 W C 0.400 176.953 176.519 0.057 0.000 1.006 953 W CA -0.523 56.846 57.345 0.040 0.000 1.528 953 W CB 0.146 29.615 29.460 0.015 0.000 1.497 953 W HN 0.196 nan 8.180 nan 0.000 0.367 954 M N 2.126 121.873 119.600 0.244 0.000 2.248 954 M HA 0.035 4.514 4.480 -0.002 0.000 0.337 954 M C 1.347 177.739 176.300 0.153 0.000 1.121 954 M CA 0.414 55.824 55.300 0.184 0.000 1.155 954 M CB 0.696 33.436 32.600 0.233 0.000 1.514 954 M HN 0.508 nan 8.290 nan 0.000 0.452 955 S N 0.032 115.600 115.700 -0.219 0.000 2.554 955 S HA 0.629 5.098 4.470 -0.002 0.000 0.227 955 S C 0.366 174.392 174.600 -0.957 0.000 1.050 955 S CA 0.179 58.126 58.200 -0.423 0.000 0.927 955 S CB 0.561 63.287 63.200 -0.791 0.000 0.859 955 S HN 0.901 nan 8.310 nan 0.000 0.494 956 A N 0.111 122.401 122.820 -0.884 0.000 2.597 956 A HA 0.717 5.036 4.320 -0.002 0.000 0.292 956 A C -1.662 175.805 177.584 -0.195 0.000 1.057 956 A CA -0.567 51.053 52.037 -0.694 0.000 0.674 956 A CB 1.278 19.908 19.000 -0.616 0.000 1.278 956 A HN 0.560 nan 8.150 nan 0.000 0.416 957 V N 0.567 120.509 119.914 0.047 0.000 3.012 957 V HA 0.843 4.961 4.120 -0.002 0.000 0.307 957 V C -1.155 175.011 176.094 0.120 0.000 1.166 957 V CA -0.285 62.058 62.300 0.072 0.000 0.974 957 V CB 2.232 34.085 31.823 0.049 0.000 1.040 957 V HN 1.153 nan 8.190 nan 0.000 0.428 958 E N 2.725 122.865 120.200 -0.099 0.000 2.363 958 E HA 0.535 4.883 4.350 -0.002 0.000 0.281 958 E C -1.644 174.938 176.600 -0.030 0.000 0.953 958 E CA -0.442 55.894 56.400 -0.106 0.000 0.778 958 E CB 1.817 31.277 29.700 -0.399 0.000 1.220 958 E HN 0.555 nan 8.360 nan 0.000 0.431 959 I N 6.083 126.727 120.570 0.124 0.000 2.312 959 I HA 0.164 4.333 4.170 -0.002 0.000 0.291 959 I C 1.031 177.223 176.117 0.126 0.000 1.031 959 I CA -0.187 61.221 61.300 0.180 0.000 1.293 959 I CB 0.651 38.790 38.000 0.231 0.000 1.403 959 I HN 0.581 nan 8.210 nan 0.000 0.484 960 L N 5.072 126.270 121.223 -0.043 0.000 2.068 960 L HA -0.003 4.335 4.340 -0.002 0.000 0.204 960 L C 0.259 177.099 176.870 -0.050 0.000 1.076 960 L CA 1.034 55.842 54.840 -0.053 0.000 0.753 960 L CB -0.271 41.682 42.059 -0.177 0.000 0.910 960 L HN 0.769 nan 8.230 nan 0.000 0.439 961 D N -4.622 115.674 120.400 -0.174 0.000 2.838 961 D HA 0.052 4.691 4.640 -0.002 0.000 0.334 961 D C -0.077 176.060 176.300 -0.272 0.000 1.315 961 D CA -0.637 53.254 54.000 -0.181 0.000 0.917 961 D CB 0.091 40.785 40.800 -0.176 0.000 1.435 961 D HN -0.300 nan 8.370 nan 0.000 0.517 962 D N -0.795 119.452 120.400 -0.256 0.000 2.265 962 D HA -0.089 4.549 4.640 -0.002 0.000 0.208 962 D C 0.255 176.316 176.300 -0.397 0.000 0.977 962 D CA 1.131 54.938 54.000 -0.323 0.000 0.871 962 D CB 0.064 40.683 40.800 -0.301 0.000 0.925 962 D HN 0.354 nan 8.370 nan 0.000 0.485 963 D N -0.577 119.538 120.400 -0.475 0.000 2.479 963 D HA 0.068 4.707 4.640 -0.002 0.000 0.216 963 D C 0.135 175.914 176.300 -0.868 0.000 1.110 963 D CA 0.043 53.737 54.000 -0.510 0.000 0.841 963 D CB 0.740 41.362 40.800 -0.297 0.000 1.040 963 D HN 0.090 nan 8.370 nan 0.000 0.505 964 N N 0.687 118.782 118.700 -1.007 0.000 2.354 964 N HA 0.299 5.038 4.740 -0.002 0.000 0.287 964 N C -1.199 173.742 175.510 -0.949 0.000 1.016 964 N CA -0.287 52.251 53.050 -0.853 0.000 0.871 964 N CB 1.788 40.000 38.487 -0.458 0.000 1.299 964 N HN -0.152 nan 8.380 nan 0.000 0.482 965 F N 1.454 121.337 119.950 -0.111 0.000 2.477 965 F HA 0.431 4.956 4.527 -0.002 0.000 0.335 965 F C 0.326 176.008 175.800 -0.197 0.000 1.130 965 F CA -0.831 57.092 58.000 -0.128 0.000 0.948 965 F CB 1.858 40.811 39.000 -0.079 0.000 1.154 965 F HN 0.096 nan 8.300 nan 0.000 0.439 966 L N 3.004 124.135 121.223 -0.152 0.000 2.292 966 L HA 0.764 5.102 4.340 -0.002 0.000 0.284 966 L C 0.128 176.722 176.870 -0.459 0.000 1.065 966 L CA -0.207 54.420 54.840 -0.356 0.000 0.806 966 L CB 1.183 42.898 42.059 -0.573 0.000 1.175 966 L HN 0.850 nan 8.230 nan 0.000 0.431 967 G N 2.872 111.253 108.800 -0.699 0.000 2.524 967 G HA2 0.734 4.692 3.960 -0.002 0.000 0.310 967 G HA3 0.734 4.692 3.960 -0.002 0.000 0.310 967 G C -1.521 173.072 174.900 -0.512 0.000 1.279 967 G CA -0.379 44.244 45.100 -0.796 0.000 0.974 967 G HN 0.798 nan 8.290 nan 0.000 0.484 968 A N 0.992 123.696 122.820 -0.194 0.000 2.374 968 A HA 0.883 5.201 4.320 -0.002 0.000 0.317 968 A C -0.512 176.969 177.584 -0.173 0.000 1.094 968 A CA -0.643 51.290 52.037 -0.174 0.000 0.765 968 A CB 2.224 21.058 19.000 -0.276 0.000 1.268 968 A HN 0.654 nan 8.150 nan 0.000 0.438 969 E N 0.831 120.930 120.200 -0.168 0.000 2.416 969 E HA 0.163 4.512 4.350 -0.002 0.000 0.273 969 E C -0.424 176.021 176.600 -0.259 0.000 0.935 969 E CA -0.551 55.805 56.400 -0.073 0.000 0.784 969 E CB 1.351 31.147 29.700 0.161 0.000 1.301 969 E HN 0.689 nan 8.360 nan 0.000 0.454 970 N N 1.205 119.826 118.700 -0.133 0.000 2.571 970 N HA -0.021 4.718 4.740 -0.002 0.000 0.189 970 N C 0.330 175.581 175.510 -0.432 0.000 1.154 970 N CA 0.838 53.819 53.050 -0.115 0.000 0.907 970 N CB 0.035 38.573 38.487 0.084 0.000 0.977 970 N HN 0.332 nan 8.380 nan 0.000 0.449 971 A N -0.577 121.940 122.820 -0.506 0.000 2.535 971 A HA 0.437 4.756 4.320 -0.002 0.000 0.273 971 A C -0.285 176.924 177.584 -0.625 0.000 1.267 971 A CA -0.689 50.944 52.037 -0.673 0.000 0.940 971 A CB -0.753 18.044 19.000 -0.340 0.000 1.101 971 A HN 0.231 nan 8.150 nan 0.000 0.521 972 F N -1.350 118.505 119.950 -0.158 0.000 2.965 972 F HA -0.202 4.324 4.527 -0.002 0.000 0.287 972 F C 0.151 175.614 175.800 -0.562 0.000 0.790 972 F CA 0.239 58.042 58.000 -0.328 0.000 1.279 972 F CB -2.249 36.561 39.000 -0.316 0.000 1.409 972 F HN 0.378 nan 8.300 nan 0.000 0.446 973 N N 1.578 120.077 118.700 -0.335 0.000 2.417 973 N HA 0.734 5.472 4.740 -0.002 0.000 0.300 973 N C -0.321 175.126 175.510 -0.106 0.000 1.102 973 N CA -0.636 52.220 53.050 -0.323 0.000 0.886 973 N CB 2.230 40.342 38.487 -0.625 0.000 1.203 973 N HN 0.089 nan 8.380 nan 0.000 0.496 974 L N 1.559 122.747 121.223 -0.058 0.000 2.344 974 L HA 0.598 4.937 4.340 -0.002 0.000 0.272 974 L C -0.547 176.459 176.870 0.227 0.000 1.035 974 L CA -0.886 53.926 54.840 -0.047 0.000 0.807 974 L CB 0.623 42.505 42.059 -0.295 0.000 1.237 974 L HN 0.554 nan 8.230 nan 0.000 0.442 975 F N 0.217 120.246 119.950 0.132 0.000 2.631 975 F HA 0.763 5.288 4.527 -0.003 0.000 0.308 975 F C -1.402 174.516 175.800 0.196 0.000 1.097 975 F CA -1.065 57.045 58.000 0.183 0.000 0.952 975 F CB 1.313 40.376 39.000 0.105 0.000 1.307 975 F HN -0.010 nan 8.300 nan 0.000 0.450 976 V N 2.140 122.273 119.914 0.366 0.000 2.448 976 V HA 0.461 4.580 4.120 -0.002 0.000 0.295 976 V C -0.620 175.587 176.094 0.188 0.000 1.025 976 V CA -0.627 61.761 62.300 0.145 0.000 0.859 976 V CB 1.426 33.247 31.823 -0.002 0.000 0.988 976 V HN 1.095 nan 8.190 nan 0.000 0.431 977 C N 4.401 123.816 119.300 0.191 0.000 2.376 977 C HA 0.695 5.154 4.460 -0.002 0.000 0.335 977 C C 0.077 175.162 174.990 0.158 0.000 1.229 977 C CA -0.503 58.659 59.018 0.240 0.000 1.867 977 C CB 1.177 29.135 27.740 0.364 0.000 2.319 977 C HN 0.894 nan 8.230 nan 0.000 0.515 978 Q N 1.028 120.898 119.800 0.117 0.000 2.421 978 Q HA 0.343 4.682 4.340 -0.002 0.000 0.280 978 Q C -1.058 175.017 176.000 0.126 0.000 1.085 978 Q CA -0.752 55.076 55.803 0.041 0.000 0.807 978 Q CB 2.036 30.732 28.738 -0.070 0.000 1.405 978 Q HN 0.593 nan 8.270 nan 0.000 0.419 979 K N 1.518 121.996 120.400 0.131 0.000 2.416 979 K HA 0.002 4.320 4.320 -0.002 0.000 0.283 979 K C -0.511 176.130 176.600 0.068 0.000 1.037 979 K CA -0.062 56.301 56.287 0.127 0.000 0.995 979 K CB 0.343 32.920 32.500 0.129 0.000 0.938 979 K HN 0.417 nan 8.250 nan 0.000 0.475 980 D N 2.037 122.485 120.400 0.081 0.000 2.346 980 D HA -0.043 4.596 4.640 -0.002 0.000 0.267 980 D C 0.535 176.856 176.300 0.034 0.000 1.320 980 D CA 0.487 54.517 54.000 0.050 0.000 0.951 980 D CB 0.584 41.421 40.800 0.062 0.000 1.079 980 D HN 0.351 nan 8.370 nan 0.000 0.509 981 S N 2.430 118.138 115.700 0.012 0.000 2.562 981 S HA 0.080 4.548 4.470 -0.002 0.000 0.221 981 S C 1.639 176.241 174.600 0.003 0.000 0.975 981 S CA 0.555 58.758 58.200 0.006 0.000 0.918 981 S CB 0.108 63.302 63.200 -0.010 0.000 0.772 981 S HN 0.558 nan 8.310 nan 0.000 0.531 982 A N 0.602 123.423 122.820 0.001 0.000 2.169 982 A HA 0.642 4.961 4.320 -0.002 0.000 0.212 982 A C 1.053 178.637 177.584 -0.001 0.000 1.153 982 A CA 0.463 52.498 52.037 -0.002 0.000 0.756 982 A CB -0.415 18.581 19.000 -0.007 0.000 0.813 982 A HN 0.563 nan 8.150 nan 0.000 0.471 983 A N -0.209 122.615 122.820 0.007 0.000 2.371 983 A HA 0.480 4.799 4.320 -0.002 0.000 0.257 983 A C 1.109 178.699 177.584 0.010 0.000 1.089 983 A CA 0.628 52.669 52.037 0.007 0.000 0.794 983 A CB 0.133 19.145 19.000 0.020 0.000 1.029 983 A HN 0.681 nan 8.150 nan 0.000 0.488 984 T N -1.954 112.603 114.554 0.005 0.000 3.087 984 T HA 0.216 4.565 4.350 -0.002 0.000 0.283 984 T C 0.401 175.106 174.700 0.010 0.000 0.956 984 T CA 0.547 62.651 62.100 0.008 0.000 0.894 984 T CB -0.319 68.550 68.868 0.002 0.000 1.160 984 T HN 0.631 nan 8.240 nan 0.000 0.532 985 T N 1.623 116.183 114.554 0.009 0.000 2.929 985 T HA 0.401 4.750 4.350 -0.002 0.000 0.284 985 T C 0.386 175.105 174.700 0.031 0.000 1.014 985 T CA -0.685 61.422 62.100 0.012 0.000 1.051 985 T CB 1.751 70.618 68.868 -0.001 0.000 1.028 985 T HN -0.200 nan 8.240 nan 0.000 0.485 986 D N 0.550 120.970 120.400 0.035 0.000 2.097 986 D HA -0.106 4.532 4.640 -0.002 0.000 0.195 986 D C 1.896 178.242 176.300 0.075 0.000 0.989 986 D CA 1.123 55.153 54.000 0.050 0.000 0.827 986 D CB 0.055 40.879 40.800 0.041 0.000 0.966 986 D HN 0.757 nan 8.370 nan 0.000 0.456 987 E N 0.528 120.770 120.200 0.070 0.000 2.072 987 E HA -0.157 4.192 4.350 -0.002 0.000 0.191 987 E C 1.609 178.324 176.600 0.193 0.000 0.985 987 E CA 0.749 57.217 56.400 0.112 0.000 0.801 987 E CB 0.109 29.848 29.700 0.065 0.000 0.750 987 E HN 0.334 nan 8.360 nan 0.000 0.452 988 E N -0.075 120.170 120.200 0.076 0.000 2.338 988 E HA -0.148 4.200 4.350 -0.002 0.000 0.197 988 E C 2.030 178.710 176.600 0.134 0.000 1.007 988 E CA 0.347 56.758 56.400 0.018 0.000 0.849 988 E CB 0.029 29.691 29.700 -0.063 0.000 0.774 988 E HN 0.049 nan 8.360 nan 0.000 0.506 989 R N 0.488 121.070 120.500 0.138 0.000 2.275 989 R HA -0.020 4.319 4.340 -0.002 0.000 0.199 989 R C 1.436 177.840 176.300 0.173 0.000 0.989 989 R CA 0.558 56.738 56.100 0.133 0.000 1.016 989 R CB 0.301 30.657 30.300 0.094 0.000 0.918 989 R HN 0.082 nan 8.270 nan 0.000 0.473 990 Q N -0.912 119.027 119.800 0.231 0.000 2.403 990 Q HA 0.049 4.387 4.340 -0.002 0.000 0.203 990 Q C -0.572 175.584 176.000 0.259 0.000 0.932 990 Q CA 0.301 56.232 55.803 0.213 0.000 0.945 990 Q CB 0.570 29.428 28.738 0.200 0.000 1.045 990 Q HN 0.351 nan 8.270 nan 0.000 0.511 991 H N 0.499 119.706 119.070 0.228 0.000 2.581 991 H HA 0.225 4.780 4.556 -0.002 0.000 0.308 991 H C -0.396 175.028 175.328 0.160 0.000 1.040 991 H CA -0.526 55.690 56.048 0.279 0.000 1.231 991 H CB 0.885 30.766 29.762 0.199 0.000 1.396 991 H HN 0.101 nan 8.280 nan 0.000 0.467 992 L N 2.700 124.036 121.223 0.188 0.000 2.439 992 L HA 0.045 4.384 4.340 -0.002 0.000 0.269 992 L C 0.405 177.372 176.870 0.161 0.000 1.179 992 L CA 0.099 55.032 54.840 0.155 0.000 0.828 992 L CB 0.474 42.597 42.059 0.108 0.000 1.106 992 L HN 0.423 nan 8.230 nan 0.000 0.467 993 Q N 1.781 121.658 119.800 0.129 0.000 2.333 993 Q HA 0.205 4.543 4.340 -0.002 0.000 0.265 993 Q C -1.026 175.014 176.000 0.067 0.000 0.989 993 Q CA -0.289 55.565 55.803 0.085 0.000 0.842 993 Q CB 1.490 30.260 28.738 0.053 0.000 1.262 993 Q HN 0.343 nan 8.270 nan 0.000 0.451 994 E N 2.724 122.942 120.200 0.029 0.000 1.985 994 E HA 0.019 4.368 4.350 -0.002 0.000 0.268 994 E C 0.537 177.135 176.600 -0.004 0.000 1.219 994 E CA -0.007 56.401 56.400 0.013 0.000 0.942 994 E CB 0.348 29.964 29.700 -0.140 0.000 1.045 994 E HN 0.551 nan 8.360 nan 0.000 0.413 995 V N 0.485 120.410 119.914 0.018 0.000 3.650 995 V HA 0.317 4.435 4.120 -0.002 0.000 0.271 995 V C 0.726 176.816 176.094 -0.007 0.000 1.281 995 V CA 0.231 62.514 62.300 -0.029 0.000 1.120 995 V CB 0.635 32.403 31.823 -0.093 0.000 0.856 995 V HN 0.379 nan 8.190 nan 0.000 0.443 996 G N 0.665 109.522 108.800 0.094 0.000 2.617 996 G HA2 0.739 4.697 3.960 -0.002 0.000 0.306 996 G HA3 0.739 4.697 3.960 -0.002 0.000 0.306 996 G C -1.512 173.638 174.900 0.415 0.000 1.360 996 G CA -0.705 44.562 45.100 0.280 0.000 0.983 996 G HN 0.244 nan 8.290 nan 0.000 0.496 997 L N 1.224 122.712 121.223 0.441 0.000 2.455 997 L HA 0.719 5.057 4.340 -0.002 0.000 0.264 997 L C -1.512 175.555 176.870 0.327 0.000 0.968 997 L CA -0.806 54.185 54.840 0.252 0.000 0.827 997 L CB 2.759 44.790 42.059 -0.047 0.000 1.317 997 L HN 0.546 nan 8.230 nan 0.000 0.407 998 F N 1.252 121.216 119.950 0.023 0.000 2.683 998 F HA 0.273 4.798 4.527 -0.003 0.000 0.333 998 F C -0.817 174.854 175.800 -0.214 0.000 1.160 998 F CA -0.546 57.308 58.000 -0.244 0.000 1.099 998 F CB 1.152 39.645 39.000 -0.844 0.000 1.344 998 F HN 0.530 nan 8.300 nan 0.000 0.534 999 H N 6.806 125.394 119.070 -0.802 0.000 3.004 999 H HA 0.288 4.843 4.556 -0.002 0.000 0.267 999 H C 0.740 175.422 175.328 -1.078 0.000 1.165 999 H CA 0.288 55.852 56.048 -0.806 0.000 1.450 999 H CB 0.837 30.131 29.762 -0.779 0.000 1.488 999 H HN 0.840 nan 8.280 nan 0.000 0.478 1000 L N 4.047 124.792 121.223 -0.796 0.000 2.056 1000 L HA 0.001 4.340 4.340 -0.002 0.000 0.207 1000 L C 1.480 178.069 176.870 -0.469 0.000 1.078 1000 L CA 1.609 56.189 54.840 -0.434 0.000 0.749 1000 L CB -0.364 41.574 42.059 -0.202 0.000 0.901 1000 L HN 1.060 nan 8.230 nan 0.000 0.433 1001 G N -0.152 108.245 108.800 -0.670 0.000 2.143 1001 G HA2 -0.197 3.761 3.960 -0.002 0.000 0.249 1001 G HA3 -0.197 3.761 3.960 -0.002 0.000 0.249 1001 G C -0.020 174.789 174.900 -0.150 0.000 0.981 1001 G CA 0.187 45.135 45.100 -0.254 0.000 0.665 1001 G HN 0.433 nan 8.290 nan 0.000 0.528 1002 E N -1.263 118.879 120.200 -0.096 0.000 2.393 1002 E HA 0.564 4.912 4.350 -0.002 0.000 0.273 1002 E C -1.321 175.401 176.600 0.203 0.000 0.918 1002 E CA -0.974 55.438 56.400 0.020 0.000 0.773 1002 E CB 1.822 31.580 29.700 0.095 0.000 1.275 1002 E HN 0.154 nan 8.360 nan 0.000 0.451 1003 F N 1.916 121.954 119.950 0.147 0.000 2.361 1003 F HA 0.256 4.781 4.527 -0.003 0.000 0.364 1003 F C -0.495 175.310 175.800 0.009 0.000 1.120 1003 F CA -0.624 57.480 58.000 0.173 0.000 1.102 1003 F CB 0.675 39.826 39.000 0.252 0.000 1.183 1003 F HN 0.058 nan 8.300 nan 0.000 0.476 1004 V N 7.362 127.048 119.914 -0.381 0.000 2.432 1004 V HA 0.108 4.226 4.120 -0.002 0.000 0.271 1004 V C 0.588 176.435 176.094 -0.410 0.000 1.046 1004 V CA -0.308 61.759 62.300 -0.389 0.000 0.945 1004 V CB 1.042 32.440 31.823 -0.709 0.000 0.992 1004 V HN 0.765 nan 8.190 nan 0.000 0.471 1005 N N 2.807 121.414 118.700 -0.155 0.000 2.409 1005 N HA 0.110 4.849 4.740 -0.002 0.000 0.174 1005 N C -0.072 175.346 175.510 -0.154 0.000 1.037 1005 N CA 0.666 53.682 53.050 -0.056 0.000 0.898 1005 N CB 1.420 39.962 38.487 0.091 0.000 1.010 1005 N HN 0.484 nan 8.380 nan 0.000 0.445 1006 V N 0.552 120.323 119.914 -0.238 0.000 2.891 1006 V HA 0.445 4.564 4.120 -0.002 0.000 0.304 1006 V C -1.883 174.062 176.094 -0.248 0.000 1.171 1006 V CA -0.788 61.415 62.300 -0.162 0.000 0.943 1006 V CB 1.437 33.257 31.823 -0.006 0.000 1.037 1006 V HN -0.089 nan 8.190 nan 0.000 0.427 1007 F N 5.620 125.588 119.950 0.031 0.000 2.480 1007 F HA 0.831 5.356 4.527 -0.003 0.000 0.329 1007 F C 0.312 176.139 175.800 0.045 0.000 1.091 1007 F CA -0.397 57.629 58.000 0.043 0.000 0.972 1007 F CB 1.840 40.827 39.000 -0.022 0.000 1.150 1007 F HN 0.865 nan 8.300 nan 0.000 0.467 1008 C N 0.169 119.613 119.300 0.239 0.000 3.170 1008 C HA 0.482 4.941 4.460 -0.002 0.000 0.319 1008 C C -0.788 174.248 174.990 0.076 0.000 1.260 1008 C CA -1.031 58.086 59.018 0.165 0.000 1.374 1008 C CB 1.242 29.084 27.740 0.170 0.000 1.739 1008 C HN 0.789 nan 8.230 nan 0.000 0.479 1009 H N 0.951 120.087 119.070 0.109 0.000 2.764 1009 H HA 0.568 5.123 4.556 -0.002 0.000 0.341 1009 H C 0.762 176.131 175.328 0.069 0.000 1.072 1009 H CA 2.099 58.192 56.048 0.076 0.000 1.444 1009 H CB 1.209 31.003 29.762 0.053 0.000 1.458 1009 H HN 1.364 nan 8.280 nan 0.000 0.572 1010 G N 0.759 109.646 108.800 0.145 0.000 2.368 1010 G HA2 0.196 4.155 3.960 -0.002 0.000 0.302 1010 G HA3 0.196 4.155 3.960 -0.002 0.000 0.302 1010 G C -1.464 173.475 174.900 0.065 0.000 1.329 1010 G CA -0.289 44.871 45.100 0.100 0.000 0.935 1010 G HN 0.644 nan 8.290 nan 0.000 0.590 1011 S N -1.654 114.076 115.700 0.051 0.000 2.537 1011 S HA 0.610 5.078 4.470 -0.002 0.000 0.270 1011 S C 0.359 174.978 174.600 0.032 0.000 1.142 1011 S CA -0.567 57.656 58.200 0.038 0.000 0.870 1011 S CB 1.465 64.682 63.200 0.030 0.000 1.112 1011 S HN 0.928 nan 8.310 nan 0.000 0.466 1012 L N 2.775 124.017 121.223 0.031 0.000 2.592 1012 L HA 0.362 4.701 4.340 -0.002 0.000 0.227 1012 L C -0.006 176.876 176.870 0.020 0.000 1.127 1012 L CA 0.075 54.932 54.840 0.028 0.000 0.884 1012 L CB 0.416 42.495 42.059 0.032 0.000 1.065 1012 L HN 0.335 nan 8.230 nan 0.000 0.457 1013 V N 0.597 120.518 119.914 0.012 0.000 2.966 1013 V HA 0.479 4.598 4.120 -0.002 0.000 0.317 1013 V C 0.105 176.195 176.094 -0.008 0.000 1.070 1013 V CA -0.866 61.431 62.300 -0.005 0.000 1.008 1013 V CB 1.647 33.457 31.823 -0.021 0.000 1.070 1013 V HN 0.511 nan 8.190 nan 0.000 0.457 1014 M N 1.078 120.667 119.600 -0.018 0.000 4.198 1014 M HA 0.249 4.727 4.480 -0.002 0.000 0.157 1014 M C -0.566 175.727 176.300 -0.012 0.000 1.509 1014 M CA 1.788 57.076 55.300 -0.020 0.000 1.105 1014 M CB -1.705 30.882 32.600 -0.022 0.000 1.326 1014 M HN 2.583 nan 8.290 nan 0.000 0.190 1024 T N -1.151 113.085 114.554 -0.530 0.000 2.887 1024 T HA 0.725 5.074 4.350 -0.002 0.000 0.288 1024 T C -0.684 173.890 174.700 -0.210 0.000 1.021 1024 T CA -0.495 61.391 62.100 -0.357 0.000 1.000 1024 T CB 2.932 71.569 68.868 -0.384 0.000 1.034 1024 T HN 0.266 nan 8.240 nan 0.000 0.467 1025 Q N 1.210 120.927 119.800 -0.137 0.000 2.353 1025 Q HA 0.581 4.919 4.340 -0.002 0.000 0.268 1025 Q C 0.174 176.140 176.000 -0.056 0.000 1.045 1025 Q CA 0.127 55.878 55.803 -0.086 0.000 0.811 1025 Q CB 1.195 29.893 28.738 -0.067 0.000 1.305 1025 Q HN 1.575 nan 8.270 nan 0.000 0.447 1026 G N 1.530 110.310 108.800 -0.032 0.000 2.814 1026 G HA2 -0.093 3.866 3.960 -0.002 0.000 0.677 1026 G HA3 -0.093 3.866 3.960 -0.002 0.000 0.677 1026 G C -0.801 174.106 174.900 0.012 0.000 1.429 1026 G CA -0.202 44.902 45.100 0.007 0.000 0.868 1026 G HN 0.933 nan 8.290 nan 0.000 0.553 1027 S N -1.139 114.588 115.700 0.045 0.000 2.652 1027 S HA 0.564 5.033 4.470 -0.002 0.000 0.273 1027 S C -0.767 173.833 174.600 0.001 0.000 1.172 1027 S CA 0.007 58.226 58.200 0.032 0.000 1.009 1027 S CB 1.441 64.664 63.200 0.039 0.000 1.094 1027 S HN 1.620 nan 8.310 nan 0.000 0.471 1028 V N 6.347 126.243 119.914 -0.030 0.000 2.444 1028 V HA 0.535 4.654 4.120 -0.002 0.000 0.294 1028 V C -0.279 175.873 176.094 0.096 0.000 1.022 1028 V CA -0.599 61.657 62.300 -0.073 0.000 0.850 1028 V CB 1.524 33.221 31.823 -0.210 0.000 0.992 1028 V HN 0.817 nan 8.190 nan 0.000 0.426 1029 L N 5.732 127.012 121.223 0.095 0.000 2.357 1029 L HA 0.694 5.032 4.340 -0.002 0.000 0.273 1029 L C -0.519 176.477 176.870 0.211 0.000 1.080 1029 L CA -0.370 54.506 54.840 0.059 0.000 0.803 1029 L CB 1.238 43.298 42.059 0.003 0.000 1.174 1029 L HN 0.720 nan 8.230 nan 0.000 0.443 1030 F N -0.433 119.560 119.950 0.073 0.000 2.588 1030 F HA 0.886 5.412 4.527 -0.003 0.000 0.310 1030 F C -0.068 175.687 175.800 -0.075 0.000 1.082 1030 F CA -0.959 57.016 58.000 -0.042 0.000 0.929 1030 F CB 1.425 40.335 39.000 -0.151 0.000 1.254 1030 F HN 0.360 nan 8.300 nan 0.000 0.455 1031 G N 0.369 109.215 108.800 0.078 0.000 2.452 1031 G HA2 0.619 4.578 3.960 -0.002 0.000 0.324 1031 G HA3 0.619 4.578 3.960 -0.002 0.000 0.324 1031 G C -1.223 173.723 174.900 0.076 0.000 1.214 1031 G CA -0.616 44.504 45.100 0.034 0.000 0.947 1031 G HN 1.045 nan 8.290 nan 0.000 0.478 1032 T N -1.679 112.927 114.554 0.088 0.000 2.907 1032 T HA 0.414 4.763 4.350 -0.002 0.000 0.290 1032 T C 1.200 175.965 174.700 0.108 0.000 1.066 1032 T CA -0.456 61.720 62.100 0.127 0.000 1.012 1032 T CB 1.447 70.411 68.868 0.160 0.000 1.184 1032 T HN 0.252 nan 8.240 nan 0.000 0.522 1033 V N 1.568 121.574 119.914 0.154 0.000 2.380 1033 V HA -0.178 3.940 4.120 -0.002 0.000 0.251 1033 V C 2.200 178.318 176.094 0.040 0.000 1.063 1033 V CA 2.346 64.697 62.300 0.084 0.000 1.055 1033 V CB -1.148 30.715 31.823 0.067 0.000 0.657 1033 V HN 0.895 nan 8.190 nan 0.000 0.455 1034 N N -0.396 118.331 118.700 0.046 0.000 2.461 1034 N HA 0.209 4.948 4.740 -0.002 0.000 0.188 1034 N C 1.294 176.816 175.510 0.019 0.000 1.134 1034 N CA 0.595 53.658 53.050 0.022 0.000 0.878 1034 N CB 0.441 38.938 38.487 0.015 0.000 0.972 1034 N HN 0.564 nan 8.380 nan 0.000 0.456 1035 G N 0.744 109.555 108.800 0.019 0.000 2.159 1035 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.256 1035 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.256 1035 G C 0.188 175.086 174.900 -0.003 0.000 0.977 1035 G CA -0.124 44.977 45.100 0.002 0.000 0.652 1035 G HN 0.277 nan 8.290 nan 0.000 0.531 1036 M N 1.064 120.672 119.600 0.013 0.000 2.228 1036 M HA 0.528 5.006 4.480 -0.002 0.000 0.351 1036 M C -0.049 176.220 176.300 -0.052 0.000 1.233 1036 M CA 0.311 55.610 55.300 -0.001 0.000 1.129 1036 M CB 0.113 32.739 32.600 0.043 0.000 1.604 1036 M HN 0.205 nan 8.290 nan 0.000 0.457 1037 I N 4.045 124.538 120.570 -0.129 0.000 2.433 1037 I HA 0.564 4.732 4.170 -0.002 0.000 0.292 1037 I C 0.443 176.289 176.117 -0.452 0.000 1.001 1037 I CA -0.618 60.525 61.300 -0.261 0.000 1.119 1037 I CB 1.992 39.886 38.000 -0.177 0.000 1.289 1037 I HN 0.792 nan 8.210 nan 0.000 0.438 1038 G N 5.247 113.440 108.800 -1.012 0.000 2.714 1038 G HA2 0.774 4.733 3.960 -0.002 0.000 0.292 1038 G HA3 0.774 4.733 3.960 -0.002 0.000 0.292 1038 G C -1.934 172.392 174.900 -0.957 0.000 1.308 1038 G CA -0.527 43.851 45.100 -1.204 0.000 0.964 1038 G HN 0.376 nan 8.290 nan 0.000 0.484 1039 L N 0.040 121.051 121.223 -0.353 0.000 2.431 1039 L HA 0.750 5.089 4.340 -0.002 0.000 0.266 1039 L C -0.991 176.020 176.870 0.235 0.000 0.978 1039 L CA -0.692 54.141 54.840 -0.012 0.000 0.822 1039 L CB 2.341 44.409 42.059 0.015 0.000 1.310 1039 L HN 0.356 nan 8.230 nan 0.000 0.409 1040 V N 3.430 123.501 119.914 0.262 0.000 2.495 1040 V HA 0.786 4.905 4.120 -0.002 0.000 0.298 1040 V C -0.104 176.054 176.094 0.107 0.000 1.031 1040 V CA -0.354 62.073 62.300 0.212 0.000 0.871 1040 V CB 1.675 33.606 31.823 0.180 0.000 0.988 1040 V HN 0.875 nan 8.190 nan 0.000 0.432 1041 T N 2.561 117.179 114.554 0.108 0.000 2.883 1041 T HA 0.535 4.884 4.350 -0.002 0.000 0.296 1041 T C -0.416 174.282 174.700 -0.003 0.000 1.117 1041 T CA -0.272 61.849 62.100 0.035 0.000 1.006 1041 T CB 2.033 70.910 68.868 0.015 0.000 1.191 1041 T HN 0.612 nan 8.240 nan 0.000 0.508 1042 S N 1.534 117.206 115.700 -0.046 0.000 2.585 1042 S HA 0.719 5.187 4.470 -0.002 0.000 0.277 1042 S C -0.710 173.871 174.600 -0.032 0.000 1.241 1042 S CA -0.627 57.542 58.200 -0.053 0.000 1.041 1042 S CB 0.378 63.537 63.200 -0.068 0.000 0.987 1042 S HN 0.493 nan 8.310 nan 0.000 0.512 1043 L N 2.008 123.259 121.223 0.045 0.000 2.354 1043 L HA 0.498 4.836 4.340 -0.002 0.000 0.269 1043 L C 0.510 177.497 176.870 0.195 0.000 1.005 1043 L CA -0.766 54.141 54.840 0.111 0.000 0.819 1043 L CB 2.157 44.352 42.059 0.227 0.000 1.311 1043 L HN 0.734 nan 8.230 nan 0.000 0.423 1044 S N -0.284 115.538 115.700 0.203 0.000 2.617 1044 S HA 0.078 4.547 4.470 -0.002 0.000 0.259 1044 S C 0.808 175.485 174.600 0.130 0.000 1.301 1044 S CA -0.345 57.981 58.200 0.210 0.000 0.984 1044 S CB 1.228 64.566 63.200 0.230 0.000 0.954 1044 S HN 0.798 nan 8.310 nan 0.000 0.572 1045 E N 0.529 120.741 120.200 0.020 0.000 2.072 1045 E HA -0.152 4.197 4.350 -0.002 0.000 0.191 1045 E C 2.021 178.526 176.600 -0.159 0.000 0.985 1045 E CA 1.391 57.622 56.400 -0.282 0.000 0.801 1045 E CB -0.268 29.363 29.700 -0.115 0.000 0.750 1045 E HN 0.849 nan 8.360 nan 0.000 0.452 1046 S N -0.695 114.960 115.700 -0.075 0.000 2.423 1046 S HA -0.128 4.341 4.470 -0.002 0.000 0.231 1046 S C 1.600 176.082 174.600 -0.197 0.000 1.014 1046 S CA 0.591 58.702 58.200 -0.149 0.000 0.965 1046 S CB -0.626 62.457 63.200 -0.195 0.000 0.785 1046 S HN 0.408 nan 8.310 nan 0.000 0.495 1047 W N 0.546 121.810 121.300 -0.060 0.000 2.453 1047 W HA 0.145 4.803 4.660 -0.003 0.000 0.289 1047 W C 2.354 178.849 176.519 -0.041 0.000 1.215 1047 W CA 0.252 57.566 57.345 -0.052 0.000 1.297 1047 W CB -0.504 28.929 29.460 -0.045 0.000 1.113 1047 W HN 0.311 nan 8.180 nan 0.000 0.551 1048 Y N 1.931 122.257 120.300 0.043 0.000 2.070 1048 Y HA -0.343 4.206 4.550 -0.001 0.000 0.280 1048 Y C 2.267 178.116 175.900 -0.085 0.000 1.148 1048 Y CA 2.286 60.345 58.100 -0.068 0.000 1.125 1048 Y CB -0.876 37.361 38.460 -0.372 0.000 0.975 1048 Y HN -0.174 nan 8.280 nan 0.000 0.492 1049 N N 0.565 119.233 118.700 -0.053 0.000 2.094 1049 N HA -0.227 4.512 4.740 -0.002 0.000 0.191 1049 N C 2.019 177.440 175.510 -0.148 0.000 1.023 1049 N CA 1.472 54.458 53.050 -0.107 0.000 0.857 1049 N CB -0.687 37.761 38.487 -0.065 0.000 1.013 1049 N HN 0.414 nan 8.380 nan 0.000 0.426 1050 L N 1.035 122.174 121.223 -0.141 0.000 2.017 1050 L HA -0.066 4.272 4.340 -0.002 0.000 0.208 1050 L C 1.962 178.768 176.870 -0.106 0.000 1.073 1050 L CA 1.297 56.047 54.840 -0.150 0.000 0.745 1050 L CB -0.597 41.316 42.059 -0.244 0.000 0.894 1050 L HN 0.154 nan 8.230 nan 0.000 0.432 1051 L N -0.885 120.302 121.223 -0.060 0.000 2.156 1051 L HA -0.203 4.135 4.340 -0.002 0.000 0.208 1051 L C 2.573 179.371 176.870 -0.120 0.000 1.095 1051 L CA 0.416 55.237 54.840 -0.032 0.000 0.770 1051 L CB -0.287 41.823 42.059 0.086 0.000 0.914 1051 L HN 0.301 nan 8.230 nan 0.000 0.439 1052 L N -0.014 121.060 121.223 -0.249 0.000 2.046 1052 L HA -0.248 4.091 4.340 -0.002 0.000 0.208 1052 L C 2.261 179.053 176.870 -0.130 0.000 1.077 1052 L CA 1.636 56.321 54.840 -0.258 0.000 0.747 1052 L CB -0.271 41.538 42.059 -0.416 0.000 0.896 1052 L HN 0.351 nan 8.230 nan 0.000 0.432 1053 D N -0.349 119.982 120.400 -0.115 0.000 2.097 1053 D HA -0.229 4.409 4.640 -0.002 0.000 0.195 1053 D C 2.274 178.535 176.300 -0.065 0.000 0.989 1053 D CA 1.263 55.218 54.000 -0.075 0.000 0.827 1053 D CB 0.076 40.829 40.800 -0.078 0.000 0.966 1053 D HN 0.074 nan 8.370 nan 0.000 0.456 1054 M N 0.426 119.978 119.600 -0.080 0.000 2.082 1054 M HA -0.179 4.299 4.480 -0.002 0.000 0.258 1054 M C 2.215 178.486 176.300 -0.049 0.000 1.069 1054 M CA 1.466 56.718 55.300 -0.080 0.000 1.102 1054 M CB -1.162 31.372 32.600 -0.110 0.000 1.336 1054 M HN 0.239 nan 8.290 nan 0.000 0.404 1055 Q N -0.152 119.614 119.800 -0.056 0.000 2.030 1055 Q HA -0.213 4.126 4.340 -0.002 0.000 0.204 1055 Q C 1.823 177.790 176.000 -0.055 0.000 0.986 1055 Q CA 1.976 57.737 55.803 -0.070 0.000 0.843 1055 Q CB -0.426 28.267 28.738 -0.075 0.000 0.904 1055 Q HN 0.663 nan 8.270 nan 0.000 0.420 1056 N N 0.087 118.770 118.700 -0.029 0.000 2.166 1056 N HA -0.136 4.603 4.740 -0.002 0.000 0.186 1056 N C 1.764 177.281 175.510 0.011 0.000 1.019 1056 N CA 0.904 53.954 53.050 -0.000 0.000 0.856 1056 N CB -0.026 38.465 38.487 0.008 0.000 0.993 1056 N HN 0.114 nan 8.380 nan 0.000 0.426 1057 R N 0.581 121.085 120.500 0.007 0.000 2.073 1057 R HA -0.013 4.325 4.340 -0.002 0.000 0.234 1057 R C 2.077 178.407 176.300 0.050 0.000 1.134 1057 R CA 0.937 57.053 56.100 0.027 0.000 0.952 1057 R CB -0.434 29.879 30.300 0.022 0.000 0.850 1057 R HN 0.194 nan 8.270 nan 0.000 0.433 1058 L N 0.893 122.147 121.223 0.051 0.000 2.079 1058 L HA -0.208 4.130 4.340 -0.002 0.000 0.210 1058 L C 1.786 178.695 176.870 0.064 0.000 1.081 1058 L CA 1.055 55.944 54.840 0.082 0.000 0.752 1058 L CB -0.428 41.681 42.059 0.084 0.000 0.896 1058 L HN 0.222 nan 8.230 nan 0.000 0.433 1059 N N -0.205 118.514 118.700 0.031 0.000 2.309 1059 N HA -0.139 4.600 4.740 -0.002 0.000 0.182 1059 N C 1.650 177.207 175.510 0.078 0.000 1.018 1059 N CA 0.910 53.994 53.050 0.058 0.000 0.876 1059 N CB -0.076 38.433 38.487 0.037 0.000 0.972 1059 N HN 0.304 nan 8.380 nan 0.000 0.434 1060 K N 0.177 120.612 120.400 0.060 0.000 2.228 1060 K HA 0.082 4.401 4.320 -0.002 0.000 0.202 1060 K C 1.724 178.353 176.600 0.049 0.000 1.051 1060 K CA 0.415 56.734 56.287 0.053 0.000 0.960 1060 K CB 0.123 32.649 32.500 0.044 0.000 0.743 1060 K HN 0.067 nan 8.250 nan 0.000 0.458 1061 V N 1.165 121.112 119.914 0.055 0.000 2.672 1061 V HA 0.043 4.161 4.120 -0.002 0.000 0.242 1061 V C 1.167 177.285 176.094 0.041 0.000 1.059 1061 V CA 0.224 62.552 62.300 0.046 0.000 1.081 1061 V CB 0.079 31.935 31.823 0.054 0.000 0.752 1061 V HN 0.090 nan 8.190 nan 0.000 0.472 1062 I N 2.674 123.281 120.570 0.062 0.000 2.517 1062 I HA 0.061 4.230 4.170 -0.002 0.000 0.285 1062 I C 0.723 176.865 176.117 0.041 0.000 1.106 1062 I CA 0.334 61.669 61.300 0.058 0.000 1.402 1062 I CB 0.359 38.421 38.000 0.103 0.000 1.399 1062 I HN 0.138 nan 8.210 nan 0.000 0.535 1063 K N 6.786 127.183 120.400 -0.004 0.000 2.379 1063 K HA 0.133 4.451 4.320 -0.002 0.000 0.284 1063 K C -0.445 176.111 176.600 -0.074 0.000 1.044 1063 K CA 0.044 56.311 56.287 -0.033 0.000 0.974 1063 K CB 1.152 33.621 32.500 -0.051 0.000 0.962 1063 K HN 0.529 nan 8.250 nan 0.000 0.474 1064 S N 3.818 119.471 115.700 -0.079 0.000 2.442 1064 S HA 0.227 4.696 4.470 -0.002 0.000 0.297 1064 S C -0.518 173.968 174.600 -0.190 0.000 1.131 1064 S CA -0.794 57.308 58.200 -0.164 0.000 1.092 1064 S CB 0.811 63.988 63.200 -0.040 0.000 0.998 1064 S HN 0.406 nan 8.310 nan 0.000 0.478 1065 V N 5.560 125.326 119.914 -0.247 0.000 2.446 1065 V HA 0.411 4.529 4.120 -0.002 0.000 0.276 1065 V C 1.604 177.585 176.094 -0.188 0.000 1.030 1065 V CA 1.143 63.326 62.300 -0.196 0.000 1.033 1065 V CB -0.010 31.696 31.823 -0.194 0.000 0.993 1065 V HN 1.321 nan 8.190 nan 0.000 0.477 1066 G N 4.020 112.725 108.800 -0.158 0.000 2.176 1066 G HA2 -0.286 3.672 3.960 -0.002 0.000 0.253 1066 G HA3 -0.286 3.672 3.960 -0.002 0.000 0.253 1066 G C 0.456 175.216 174.900 -0.233 0.000 0.979 1066 G CA 0.119 45.132 45.100 -0.145 0.000 0.641 1066 G HN 0.835 nan 8.290 nan 0.000 0.530 1067 K N -1.099 119.140 120.400 -0.269 0.000 3.096 1067 K HA -0.189 4.129 4.320 -0.002 0.000 0.266 1067 K C 0.395 176.904 176.600 -0.153 0.000 1.043 1067 K CA 1.158 57.251 56.287 -0.323 0.000 0.758 1067 K CB -1.614 30.418 32.500 -0.781 0.000 1.260 1067 K HN 0.649 nan 8.250 nan 0.000 0.481 1068 I N 1.134 121.678 120.570 -0.043 0.000 2.395 1068 I HA 0.054 4.223 4.170 -0.002 0.000 0.289 1068 I C 0.879 177.125 176.117 0.214 0.000 1.023 1068 I CA -0.562 60.780 61.300 0.070 0.000 1.350 1068 I CB 0.901 38.958 38.000 0.095 0.000 1.409 1068 I HN 0.056 nan 8.210 nan 0.000 0.507 1069 E N 3.927 124.244 120.200 0.196 0.000 2.344 1069 E HA -0.047 4.302 4.350 -0.002 0.000 0.270 1069 E C 0.831 177.620 176.600 0.314 0.000 1.021 1069 E CA 0.393 56.944 56.400 0.251 0.000 0.887 1069 E CB 0.517 30.338 29.700 0.202 0.000 0.997 1069 E HN 0.468 nan 8.360 nan 0.000 0.429 1070 H N 2.435 121.583 119.070 0.130 0.000 2.352 1070 H HA -0.168 4.387 4.556 -0.002 0.000 0.299 1070 H C 1.813 177.150 175.328 0.014 0.000 1.097 1070 H CA 2.413 58.367 56.048 -0.158 0.000 1.311 1070 H CB 0.215 29.801 29.762 -0.294 0.000 1.377 1070 H HN 0.521 nan 8.280 nan 0.000 0.504 1071 S N -0.786 115.006 115.700 0.154 0.000 2.402 1071 S HA -0.198 4.271 4.470 -0.002 0.000 0.229 1071 S C 2.140 176.782 174.600 0.070 0.000 1.021 1071 S CA 0.984 59.248 58.200 0.106 0.000 0.974 1071 S CB -0.872 62.425 63.200 0.161 0.000 0.800 1071 S HN 0.499 nan 8.310 nan 0.000 0.484 1072 F N 1.919 121.880 119.950 0.018 0.000 2.146 1072 F HA 0.046 4.572 4.527 -0.002 0.000 0.298 1072 F C 2.267 178.062 175.800 -0.008 0.000 1.096 1072 F CA 1.328 59.337 58.000 0.016 0.000 1.275 1072 F CB -0.487 38.547 39.000 0.055 0.000 1.008 1072 F HN 0.403 nan 8.300 nan 0.000 0.480 1073 W N 1.565 122.792 121.300 -0.120 0.000 2.333 1073 W HA -0.227 4.432 4.660 -0.002 0.000 0.316 1073 W C 1.639 177.904 176.519 -0.424 0.000 1.215 1073 W CA 1.011 58.199 57.345 -0.261 0.000 1.278 1073 W CB -0.262 29.087 29.460 -0.185 0.000 1.154 1073 W HN -0.140 nan 8.180 nan 0.000 0.486 1074 R N 1.052 121.115 120.500 -0.728 0.000 2.307 1074 R HA 0.062 4.401 4.340 -0.002 0.000 0.199 1074 R C 0.790 176.761 176.300 -0.548 0.000 1.000 1074 R CA 0.285 55.819 56.100 -0.944 0.000 1.023 1074 R CB -1.074 28.716 30.300 -0.849 0.000 0.908 1074 R HN -0.060 nan 8.270 nan 0.000 0.473 1075 S N 1.948 117.421 115.700 -0.377 0.000 2.546 1075 S HA -0.042 4.427 4.470 -0.002 0.000 0.290 1075 S C -0.059 174.452 174.600 -0.147 0.000 1.262 1075 S CA -0.293 57.785 58.200 -0.202 0.000 1.083 1075 S CB -0.154 62.910 63.200 -0.228 0.000 0.859 1075 S HN 0.185 nan 8.310 nan 0.000 0.495 1076 F N 4.431 124.308 119.950 -0.121 0.000 2.604 1076 F HA 0.047 4.572 4.527 -0.003 0.000 0.393 1076 F C 0.469 176.272 175.800 0.005 0.000 1.043 1076 F CA 0.819 58.796 58.000 -0.038 0.000 1.227 1076 F CB 0.193 39.189 39.000 -0.008 0.000 1.016 1076 F HN 0.678 nan 8.300 nan 0.000 0.556 1077 H N 3.822 122.658 119.070 -0.391 0.000 3.096 1077 H HA 0.419 4.974 4.556 -0.002 0.000 0.335 1077 H C -0.748 174.410 175.328 -0.283 0.000 0.990 1077 H CA -0.039 55.861 56.048 -0.248 0.000 1.393 1077 H CB 1.126 30.718 29.762 -0.284 0.000 1.742 1077 H HN 0.678 nan 8.280 nan 0.000 0.501 1078 T N 0.323 114.497 114.554 -0.634 0.000 2.645 1078 T HA 0.291 4.639 4.350 -0.002 0.000 0.273 1078 T C 0.953 175.413 174.700 -0.400 0.000 0.960 1078 T CA -0.751 61.083 62.100 -0.444 0.000 1.051 1078 T CB 1.275 70.019 68.868 -0.206 0.000 1.366 1078 T HN 0.573 nan 8.240 nan 0.000 0.536 1079 E N -0.091 120.002 120.200 -0.179 0.000 2.058 1079 E HA -0.166 4.182 4.350 -0.002 0.000 0.194 1079 E C 2.266 178.833 176.600 -0.054 0.000 0.997 1079 E CA 1.107 57.454 56.400 -0.088 0.000 0.801 1079 E CB -0.025 29.674 29.700 -0.003 0.000 0.746 1079 E HN 0.479 nan 8.360 nan 0.000 0.450 1080 R N 1.072 121.563 120.500 -0.016 0.000 2.052 1080 R HA -0.036 4.302 4.340 -0.002 0.000 0.224 1080 R C 0.403 176.708 176.300 0.008 0.000 1.149 1080 R CA 0.926 57.035 56.100 0.014 0.000 0.962 1080 R CB 0.198 30.523 30.300 0.043 0.000 0.856 1080 R HN -0.047 nan 8.270 nan 0.000 0.433 1081 K N -0.043 120.371 120.400 0.024 0.000 2.328 1081 K HA 0.383 4.701 4.320 -0.002 0.000 0.246 1081 K C -1.461 175.189 176.600 0.083 0.000 0.955 1081 K CA -0.824 55.501 56.287 0.063 0.000 0.817 1081 K CB 2.343 34.898 32.500 0.090 0.000 1.208 1081 K HN -0.212 nan 8.250 nan 0.000 0.432 1082 T N 1.431 116.057 114.554 0.121 0.000 2.807 1082 T HA 0.392 4.741 4.350 -0.002 0.000 0.279 1082 T C -1.342 173.447 174.700 0.147 0.000 0.993 1082 T CA -0.560 61.647 62.100 0.179 0.000 0.970 1082 T CB 1.290 70.297 68.868 0.232 0.000 0.950 1082 T HN 0.724 nan 8.240 nan 0.000 0.441 1083 E N 2.980 123.279 120.200 0.165 0.000 2.352 1083 E HA 0.437 4.786 4.350 -0.002 0.000 0.280 1083 E C -2.794 173.875 176.600 0.115 0.000 0.930 1083 E CA -1.988 54.486 56.400 0.122 0.000 0.765 1083 E CB 1.914 31.669 29.700 0.092 0.000 1.219 1083 E HN 0.228 nan 8.360 nan 0.000 0.434 1084 P HA 0.145 nan 4.420 nan 0.000 0.269 1084 P C -0.816 176.556 177.300 0.119 0.000 1.215 1084 P CA -0.268 62.883 63.100 0.086 0.000 0.780 1084 P CB 0.717 32.474 31.700 0.094 0.000 0.898 1085 A N 2.526 125.424 122.820 0.129 0.000 2.498 1085 A HA 0.492 4.810 4.320 -0.002 0.000 0.239 1085 A C 0.501 178.245 177.584 0.268 0.000 1.068 1085 A CA 0.511 52.681 52.037 0.221 0.000 0.766 1085 A CB -0.674 18.481 19.000 0.257 0.000 1.003 1085 A HN 0.661 nan 8.150 nan 0.000 0.497 1086 T N -1.487 113.263 114.554 0.327 0.000 2.900 1086 T HA 0.618 4.966 4.350 -0.002 0.000 0.303 1086 T C 0.698 175.633 174.700 0.391 0.000 1.142 1086 T CA 0.079 62.375 62.100 0.326 0.000 1.007 1086 T CB 1.300 70.286 68.868 0.196 0.000 1.156 1086 T HN 2.375 nan 8.240 nan 0.000 0.490 1087 G N 0.358 109.358 108.800 0.333 0.000 2.196 1087 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.268 1087 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.268 1087 G C -0.196 174.755 174.900 0.085 0.000 0.975 1087 G CA 0.236 45.379 45.100 0.071 0.000 0.648 1087 G HN 0.780 nan 8.290 nan 0.000 0.538 1088 F N -0.446 119.709 119.950 0.343 0.000 2.536 1088 F HA 0.661 5.186 4.527 -0.003 0.000 0.322 1088 F C 0.227 176.080 175.800 0.090 0.000 1.144 1088 F CA -1.060 57.001 58.000 0.103 0.000 0.924 1088 F CB 1.549 40.456 39.000 -0.155 0.000 1.181 1088 F HN -0.044 nan 8.300 nan 0.000 0.438 1089 I N 3.130 123.802 120.570 0.170 0.000 2.365 1089 I HA 0.136 4.304 4.170 -0.002 0.000 0.291 1089 I C -0.014 176.024 176.117 -0.132 0.000 1.004 1089 I CA -0.166 61.165 61.300 0.053 0.000 1.311 1089 I CB 0.795 38.853 38.000 0.096 0.000 1.401 1089 I HN 0.393 nan 8.210 nan 0.000 0.491 1090 D N 5.496 125.907 120.400 0.018 0.000 2.435 1090 D HA 0.143 4.782 4.640 -0.002 0.000 0.230 1090 D C 1.305 177.547 176.300 -0.097 0.000 1.215 1090 D CA 0.025 54.069 54.000 0.075 0.000 0.947 1090 D CB 0.948 42.009 40.800 0.435 0.000 1.048 1090 D HN 0.701 nan 8.370 nan 0.000 0.512 1091 G N 3.248 111.782 108.800 -0.443 0.000 2.462 1091 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.220 1091 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.220 1091 G C 1.231 176.094 174.900 -0.063 0.000 1.121 1091 G CA 0.308 45.085 45.100 -0.539 0.000 0.758 1091 G HN 0.415 nan 8.290 nan 0.000 0.559 1092 D N 0.027 120.441 120.400 0.023 0.000 2.144 1092 D HA -0.060 4.578 4.640 -0.002 0.000 0.199 1092 D C 2.383 178.785 176.300 0.171 0.000 0.984 1092 D CA 0.170 54.247 54.000 0.128 0.000 0.834 1092 D CB -0.199 40.712 40.800 0.186 0.000 0.955 1092 D HN 0.259 nan 8.370 nan 0.000 0.465 1093 L N 0.290 121.619 121.223 0.176 0.000 2.027 1093 L HA -0.124 4.215 4.340 -0.002 0.000 0.206 1093 L C 2.257 179.207 176.870 0.133 0.000 1.074 1093 L CA 0.983 55.914 54.840 0.153 0.000 0.745 1093 L CB -0.173 41.904 42.059 0.030 0.000 0.898 1093 L HN 0.004 nan 8.230 nan 0.000 0.433 1094 I N -0.089 120.548 120.570 0.111 0.000 2.226 1094 I HA -0.309 3.859 4.170 -0.002 0.000 0.245 1094 I C 2.380 178.616 176.117 0.198 0.000 1.100 1094 I CA 1.285 62.666 61.300 0.135 0.000 1.374 1094 I CB -0.155 37.928 38.000 0.139 0.000 1.057 1094 I HN 0.288 nan 8.210 nan 0.000 0.413 1095 E N 0.131 120.450 120.200 0.197 0.000 2.268 1095 E HA -0.179 4.170 4.350 -0.002 0.000 0.195 1095 E C 2.127 178.847 176.600 0.200 0.000 0.995 1095 E CA 1.395 57.921 56.400 0.209 0.000 0.836 1095 E CB -0.066 29.758 29.700 0.205 0.000 0.763 1095 E HN 0.530 nan 8.360 nan 0.000 0.491 1096 S N 0.169 115.982 115.700 0.189 0.000 2.561 1096 S HA -0.097 4.372 4.470 -0.002 0.000 0.225 1096 S C 1.644 176.341 174.600 0.162 0.000 0.977 1096 S CA -0.054 58.239 58.200 0.154 0.000 0.926 1096 S CB -0.386 62.901 63.200 0.145 0.000 0.769 1096 S HN 0.299 nan 8.310 nan 0.000 0.533 1097 F N 2.552 122.539 119.950 0.062 0.000 2.202 1097 F HA 0.077 4.603 4.527 -0.003 0.000 0.301 1097 F C 1.604 177.429 175.800 0.042 0.000 1.082 1097 F CA 1.256 59.285 58.000 0.049 0.000 1.313 1097 F CB -0.273 38.759 39.000 0.053 0.000 1.024 1097 F HN 0.189 nan 8.300 nan 0.000 0.495 1098 L N -0.336 120.936 121.223 0.081 0.000 2.478 1098 L HA -0.077 4.262 4.340 -0.002 0.000 0.223 1098 L C 1.125 177.957 176.870 -0.062 0.000 1.140 1098 L CA 0.568 55.397 54.840 -0.019 0.000 0.842 1098 L CB -0.581 41.534 42.059 0.093 0.000 0.953 1098 L HN 0.024 nan 8.230 nan 0.000 0.452 1099 D N 0.158 120.532 120.400 -0.042 0.000 2.367 1099 D HA 0.160 4.798 4.640 -0.002 0.000 0.207 1099 D C 0.850 177.109 176.300 -0.068 0.000 1.034 1099 D CA 0.216 54.196 54.000 -0.033 0.000 0.861 1099 D CB 0.393 41.196 40.800 0.005 0.000 0.943 1099 D HN 0.346 nan 8.370 nan 0.000 0.515 1100 I N -0.955 119.538 120.570 -0.128 0.000 2.797 1100 I HA 0.339 4.507 4.170 -0.002 0.000 0.310 1100 I C 0.710 176.729 176.117 -0.163 0.000 0.990 1100 I CA -0.986 60.234 61.300 -0.134 0.000 1.228 1100 I CB 1.212 39.131 38.000 -0.134 0.000 1.406 1100 I HN -0.227 nan 8.210 nan 0.000 0.534 1101 S N 3.262 118.892 115.700 -0.116 0.000 2.584 1101 S HA 0.190 4.658 4.470 -0.002 0.000 0.270 1101 S C 1.021 175.548 174.600 -0.122 0.000 1.346 1101 S CA -0.369 57.771 58.200 -0.099 0.000 1.018 1101 S CB 1.237 64.398 63.200 -0.066 0.000 0.899 1101 S HN 0.897 nan 8.310 nan 0.000 0.542 1102 R N 1.242 121.685 120.500 -0.095 0.000 2.096 1102 R HA -0.003 4.336 4.340 -0.002 0.000 0.235 1102 R C -0.960 175.309 176.300 -0.052 0.000 1.127 1102 R CA 1.205 57.257 56.100 -0.080 0.000 0.968 1102 R CB -1.504 28.766 30.300 -0.051 0.000 0.861 1102 R HN 0.558 nan 8.270 nan 0.000 0.440 1103 P HA -0.167 nan 4.420 nan 0.000 0.216 1103 P C 0.407 177.693 177.300 -0.024 0.000 1.150 1103 P CA 1.646 64.731 63.100 -0.026 0.000 0.837 1103 P CB 0.040 31.725 31.700 -0.025 0.000 0.786 1104 K N -1.540 118.835 120.400 -0.042 0.000 2.186 1104 K HA 0.104 4.422 4.320 -0.002 0.000 0.202 1104 K C 2.150 178.733 176.600 -0.029 0.000 1.052 1104 K CA 0.928 57.195 56.287 -0.033 0.000 0.965 1104 K CB -0.312 32.160 32.500 -0.047 0.000 0.746 1104 K HN 0.125 nan 8.250 nan 0.000 0.457 1105 M N 0.591 120.131 119.600 -0.099 0.000 2.159 1105 M HA -0.211 4.267 4.480 -0.002 0.000 0.263 1105 M C 2.210 178.558 176.300 0.081 0.000 1.063 1105 M CA 1.536 56.779 55.300 -0.096 0.000 1.110 1105 M CB -0.080 32.356 32.600 -0.272 0.000 1.374 1105 M HN 0.074 nan 8.290 nan 0.000 0.411 1106 Q N 0.476 120.297 119.800 0.035 0.000 2.084 1106 Q HA -0.194 4.144 4.340 -0.002 0.000 0.202 1106 Q C 1.767 177.801 176.000 0.057 0.000 0.978 1106 Q CA 1.697 57.529 55.803 0.048 0.000 0.844 1106 Q CB -0.069 28.681 28.738 0.021 0.000 0.898 1106 Q HN 0.462 nan 8.270 nan 0.000 0.426 1107 E N -1.203 119.026 120.200 0.049 0.000 2.150 1107 E HA -0.143 4.205 4.350 -0.002 0.000 0.193 1107 E C 1.679 178.320 176.600 0.069 0.000 0.985 1107 E CA 1.025 57.454 56.400 0.048 0.000 0.814 1107 E CB 0.209 29.930 29.700 0.035 0.000 0.752 1107 E HN 0.212 nan 8.360 nan 0.000 0.466 1108 V N 1.049 121.033 119.914 0.117 0.000 2.307 1108 V HA -0.146 3.972 4.120 -0.002 0.000 0.245 1108 V C 1.215 177.366 176.094 0.095 0.000 1.045 1108 V CA 1.244 63.631 62.300 0.144 0.000 1.024 1108 V CB -0.144 31.863 31.823 0.308 0.000 0.651 1108 V HN 0.214 nan 8.190 nan 0.000 0.449 1109 V N -1.175 118.804 119.914 0.107 0.000 2.488 1109 V HA 0.785 4.904 4.120 -0.002 0.000 0.277 1109 V C 0.311 176.424 176.094 0.032 0.000 1.046 1109 V CA 0.300 62.630 62.300 0.051 0.000 0.986 1109 V CB 0.491 32.350 31.823 0.060 0.000 0.989 1109 V HN 0.315 nan 8.190 nan 0.000 0.475 1110 A N 3.405 126.231 122.820 0.010 0.000 2.446 1110 A HA 0.367 4.685 4.320 -0.002 0.000 0.218 1110 A C 0.007 177.586 177.584 -0.008 0.000 1.200 1110 A CA -0.140 51.900 52.037 0.005 0.000 1.259 1110 A CB -0.566 18.440 19.000 0.011 0.000 1.136 1110 A HN 0.867 nan 8.150 nan 0.000 0.450 1111 N N -0.652 118.037 118.700 -0.019 0.000 3.204 1111 N HA 0.672 5.410 4.740 -0.002 0.000 0.285 1111 N C -0.713 174.773 175.510 -0.041 0.000 1.536 1111 N CA -0.518 52.515 53.050 -0.029 0.000 0.832 1111 N CB 0.883 39.348 38.487 -0.036 0.000 1.645 1111 N HN 0.197 nan 8.380 nan 0.000 0.586 1126 A N 0.213 123.089 122.820 0.094 0.000 1.969 1126 A HA 0.077 4.395 4.320 -0.002 0.000 0.218 1126 A C 1.732 179.415 177.584 0.165 0.000 1.169 1126 A CA 1.841 53.977 52.037 0.164 0.000 0.635 1126 A CB -0.879 18.186 19.000 0.109 0.000 0.810 1126 A HN 0.824 nan 8.150 nan 0.000 0.445 1127 D N -0.718 119.738 120.400 0.093 0.000 2.289 1127 D HA -0.036 4.603 4.640 -0.002 0.000 0.207 1127 D C 0.893 177.232 176.300 0.065 0.000 0.966 1127 D CA 0.876 54.921 54.000 0.074 0.000 0.868 1127 D CB -0.212 40.611 40.800 0.039 0.000 0.943 1127 D HN 0.440 nan 8.370 nan 0.000 0.514 1128 D N -0.323 120.109 120.400 0.052 0.000 2.363 1128 D HA -0.034 4.605 4.640 -0.002 0.000 0.226 1128 D C 1.500 177.815 176.300 0.025 0.000 1.020 1128 D CA 0.268 54.285 54.000 0.029 0.000 0.892 1128 D CB 0.315 41.121 40.800 0.009 0.000 0.900 1128 D HN 0.030 nan 8.370 nan 0.000 0.531 1129 L N -0.193 121.063 121.223 0.055 0.000 2.577 1129 L HA 0.247 4.585 4.340 -0.002 0.000 0.225 1129 L C 1.701 178.632 176.870 0.101 0.000 1.053 1129 L CA 0.395 55.229 54.840 -0.009 0.000 0.866 1129 L CB -0.213 41.761 42.059 -0.142 0.000 1.132 1129 L HN 0.089 nan 8.230 nan 0.000 0.486 1130 I N 0.188 120.903 120.570 0.242 0.000 2.286 1130 I HA -0.285 3.883 4.170 -0.002 0.000 0.248 1130 I C 2.238 178.424 176.117 0.115 0.000 1.115 1130 I CA 0.931 62.371 61.300 0.233 0.000 1.392 1130 I CB -0.109 37.989 38.000 0.163 0.000 1.065 1130 I HN 0.155 nan 8.210 nan 0.000 0.418 1131 K N 0.366 120.809 120.400 0.072 0.000 2.148 1131 K HA -0.057 4.262 4.320 -0.002 0.000 0.204 1131 K C 2.087 178.713 176.600 0.043 0.000 1.050 1131 K CA 0.992 57.302 56.287 0.038 0.000 0.942 1131 K CB -0.397 32.118 32.500 0.025 0.000 0.724 1131 K HN 0.238 nan 8.250 nan 0.000 0.446 1132 V N 0.947 120.898 119.914 0.060 0.000 2.255 1132 V HA -0.175 3.943 4.120 -0.002 0.000 0.243 1132 V C 2.485 178.608 176.094 0.049 0.000 1.038 1132 V CA 1.314 63.664 62.300 0.084 0.000 1.008 1132 V CB -0.442 31.446 31.823 0.108 0.000 0.645 1132 V HN -0.066 nan 8.190 nan 0.000 0.449 1133 V N -0.172 119.778 119.914 0.059 0.000 2.407 1133 V HA -0.264 3.855 4.120 -0.002 0.000 0.248 1133 V C 2.377 178.516 176.094 0.074 0.000 1.055 1133 V CA 2.013 64.366 62.300 0.089 0.000 1.049 1133 V CB -0.706 31.218 31.823 0.169 0.000 0.662 1133 V HN 0.588 nan 8.190 nan 0.000 0.455 1134 E N -0.189 120.047 120.200 0.061 0.000 2.150 1134 E HA -0.259 4.089 4.350 -0.002 0.000 0.193 1134 E C 2.254 178.838 176.600 -0.028 0.000 0.985 1134 E CA 1.270 57.682 56.400 0.021 0.000 0.814 1134 E CB -0.029 29.679 29.700 0.014 0.000 0.752 1134 E HN 0.732 nan 8.360 nan 0.000 0.466 1135 E N 0.724 120.901 120.200 -0.039 0.000 2.077 1135 E HA -0.183 4.166 4.350 -0.002 0.000 0.193 1135 E C 1.971 178.499 176.600 -0.119 0.000 0.989 1135 E CA 0.800 57.149 56.400 -0.084 0.000 0.800 1135 E CB -0.020 29.627 29.700 -0.088 0.000 0.746 1135 E HN 0.205 nan 8.360 nan 0.000 0.452 1136 L N 0.711 121.871 121.223 -0.106 0.000 2.131 1136 L HA -0.137 4.201 4.340 -0.002 0.000 0.210 1136 L C 2.729 179.578 176.870 -0.034 0.000 1.092 1136 L CA 1.613 56.383 54.840 -0.117 0.000 0.759 1136 L CB -0.679 41.339 42.059 -0.069 0.000 0.903 1136 L HN 0.397 nan 8.230 nan 0.000 0.435 1137 T N -3.261 111.278 114.554 -0.025 0.000 3.007 1137 T HA -0.174 4.175 4.350 -0.002 0.000 0.270 1137 T C 1.793 176.271 174.700 -0.370 0.000 1.107 1137 T CA 0.698 62.739 62.100 -0.100 0.000 1.118 1137 T CB -0.220 68.634 68.868 -0.022 0.000 0.889 1137 T HN 0.273 nan 8.240 nan 0.000 0.506 1138 R N 0.594 120.952 120.500 -0.237 0.000 2.359 1138 R HA 0.380 4.719 4.340 -0.002 0.000 0.231 1138 R C 1.961 178.143 176.300 -0.197 0.000 0.913 1138 R CA 0.107 56.071 56.100 -0.226 0.000 1.075 1138 R CB -0.177 30.036 30.300 -0.144 0.000 1.087 1138 R HN 0.684 nan 8.270 nan 0.000 0.515 1139 I N -1.898 118.560 120.570 -0.186 0.000 3.251 1139 I HA 0.057 4.226 4.170 -0.002 0.000 0.277 1139 I C 0.297 176.419 176.117 0.008 0.000 1.268 1139 I CA 0.143 61.393 61.300 -0.083 0.000 1.449 1139 I CB -0.143 37.816 38.000 -0.068 0.000 1.083 1139 I HN 0.017 nan 8.210 nan 0.000 0.464 1140 H N 0.000 119.071 119.070 0.002 0.000 2.539 1140 H HA 0.000 4.554 4.556 -0.003 0.000 0.296 1140 H CA 0.000 56.051 56.048 0.006 0.000 1.023 1140 H CB 0.000 29.772 29.762 0.017 0.000 1.292 1140 H HN 0.000 nan 8.280 nan 0.000 0.496