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 1px3_1_B DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IAVSEXXRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.102 176.300 -0.330 0.000 0.893 13 R CA 0.000 55.974 56.100 -0.210 0.000 0.921 13 R CB 0.000 30.179 30.300 -0.201 0.000 0.687 14 R N 2.068 122.259 120.500 -0.515 0.000 3.109 14 R HA -0.167 4.188 4.340 0.024 0.000 0.241 14 R C -0.305 175.477 176.300 -0.865 0.000 0.882 14 R CA 0.866 56.271 56.100 -1.159 0.000 0.604 14 R CB -1.266 28.403 30.300 -1.050 0.000 1.040 14 R HN 0.319 nan 8.270 nan 0.000 0.480 15 D N -0.076 120.007 120.400 -0.529 0.000 2.309 15 D HA -0.170 4.485 4.640 0.024 0.000 0.212 15 D C 1.575 177.780 176.300 -0.158 0.000 0.968 15 D CA 1.562 55.334 54.000 -0.380 0.000 0.882 15 D CB -0.090 40.323 40.800 -0.644 0.000 0.918 15 D HN 0.742 nan 8.370 nan 0.000 0.503 16 W N 1.352 122.654 121.300 0.002 0.000 3.292 16 W HA 0.200 4.874 4.660 0.023 0.000 0.263 16 W C 0.321 176.919 176.519 0.132 0.000 1.318 16 W CA -0.279 57.171 57.345 0.175 0.000 1.663 16 W CB -0.231 29.383 29.460 0.257 0.000 1.114 16 W HN -0.199 nan 8.180 nan 0.000 0.706 17 E N 1.288 121.324 120.200 -0.273 0.000 3.575 17 E HA 0.063 4.427 4.350 0.024 0.000 0.201 17 E C -0.769 175.651 176.600 -0.300 0.000 0.999 17 E CA -0.232 56.021 56.400 -0.244 0.000 1.315 17 E CB -0.169 29.354 29.700 -0.295 0.000 1.146 17 E HN 0.040 nan 8.360 nan 0.000 0.453 18 N N 1.112 119.688 118.700 -0.206 0.000 2.699 18 N HA 0.109 4.863 4.740 0.024 0.000 0.271 18 N C -2.434 172.938 175.510 -0.231 0.000 1.216 18 N CA -1.762 51.138 53.050 -0.250 0.000 0.844 18 N CB 1.459 39.810 38.487 -0.227 0.000 1.462 18 N HN -0.168 nan 8.380 nan 0.000 0.555 19 P HA 0.085 nan 4.420 nan 0.000 0.234 19 P C 1.021 178.094 177.300 -0.379 0.000 1.167 19 P CA 0.549 63.349 63.100 -0.500 0.000 0.763 19 P CB 0.084 31.001 31.700 -1.304 0.000 0.835 20 G N -0.504 108.112 108.800 -0.305 0.000 2.920 20 G HA2 0.100 4.074 3.960 0.024 0.000 0.208 20 G HA3 0.100 4.074 3.960 0.024 0.000 0.208 20 G C 0.202 175.022 174.900 -0.133 0.000 1.159 20 G CA 0.127 45.095 45.100 -0.220 0.000 0.784 20 G HN 0.206 nan 8.290 nan 0.000 0.535 21 V N 1.650 121.503 119.914 -0.102 0.000 2.325 21 V HA 0.258 4.392 4.120 0.024 0.000 0.280 21 V C 0.843 176.987 176.094 0.084 0.000 1.016 21 V CA 0.020 62.309 62.300 -0.018 0.000 0.818 21 V CB 1.238 33.032 31.823 -0.048 0.000 1.019 21 V HN 0.321 nan 8.190 nan 0.000 0.434 22 T N 0.677 115.275 114.554 0.073 0.000 3.069 22 T HA 0.395 4.759 4.350 0.024 0.000 0.252 22 T C 0.223 174.973 174.700 0.085 0.000 1.053 22 T CA 0.048 62.203 62.100 0.091 0.000 0.964 22 T CB 0.217 69.091 68.868 0.009 0.000 1.005 22 T HN 0.704 nan 8.240 nan 0.000 0.532 23 Q N 0.101 120.006 119.800 0.176 0.000 2.848 23 Q HA 0.660 5.014 4.340 0.024 0.000 0.288 23 Q C -2.318 173.828 176.000 0.243 0.000 0.907 23 Q CA -1.060 54.842 55.803 0.164 0.000 0.792 23 Q CB 0.656 29.397 28.738 0.005 0.000 1.534 23 Q HN 0.212 nan 8.270 nan 0.000 0.419 24 L N 1.411 122.797 121.223 0.273 0.000 2.505 24 L HA 0.613 4.967 4.340 0.024 0.000 0.266 24 L C -0.628 176.366 176.870 0.208 0.000 0.954 24 L CA -0.853 54.142 54.840 0.260 0.000 0.852 24 L CB 2.021 44.337 42.059 0.428 0.000 1.282 24 L HN 0.839 nan 8.230 nan 0.000 0.403 25 N N 0.849 119.640 118.700 0.152 0.000 2.753 25 N HA -0.207 4.547 4.740 0.024 0.000 0.251 25 N C 0.158 175.753 175.510 0.142 0.000 1.097 25 N CA 0.874 54.004 53.050 0.132 0.000 0.786 25 N CB -0.738 37.779 38.487 0.050 0.000 1.137 25 N HN 0.671 nan 8.380 nan 0.000 0.566 26 R N 0.891 121.397 120.500 0.009 0.000 2.441 26 R HA 0.414 4.768 4.340 0.024 0.000 0.284 26 R C 0.504 176.657 176.300 -0.246 0.000 1.070 26 R CA -0.361 55.508 56.100 -0.386 0.000 1.047 26 R CB 0.570 30.625 30.300 -0.408 0.000 1.016 26 R HN 0.123 nan 8.270 nan 0.000 0.477 27 L N 2.702 123.745 121.223 -0.299 0.000 2.466 27 L HA 0.342 4.697 4.340 0.024 0.000 0.257 27 L C 0.605 177.415 176.870 -0.101 0.000 1.189 27 L CA -0.648 54.116 54.840 -0.127 0.000 0.813 27 L CB 0.908 42.920 42.059 -0.078 0.000 1.118 27 L HN 0.796 nan 8.230 nan 0.000 0.471 28 A N 1.119 123.924 122.820 -0.025 0.000 2.466 28 A HA 0.483 4.818 4.320 0.024 0.000 0.238 28 A C 0.236 177.816 177.584 -0.008 0.000 1.074 28 A CA 0.011 52.041 52.037 -0.011 0.000 0.774 28 A CB 0.174 19.196 19.000 0.037 0.000 1.015 28 A HN 0.774 nan 8.150 nan 0.000 0.498 29 A N 1.273 124.044 122.820 -0.082 0.000 2.332 29 A HA 0.685 5.019 4.320 0.024 0.000 0.258 29 A C 0.077 177.573 177.584 -0.147 0.000 1.087 29 A CA 0.437 52.352 52.037 -0.204 0.000 0.802 29 A CB -0.039 18.840 19.000 -0.203 0.000 1.042 29 A HN 1.913 nan 8.150 nan 0.000 0.489 30 H N -2.036 116.888 119.070 -0.244 0.000 2.950 30 H HA 0.652 5.222 4.556 0.023 0.000 0.307 30 H C -3.422 171.645 175.328 -0.436 0.000 1.403 30 H CA -1.820 54.031 56.048 -0.328 0.000 1.145 30 H CB 0.121 29.610 29.762 -0.455 0.000 1.844 30 H HN 0.377 nan 8.280 nan 0.000 0.515 31 P HA 0.229 nan 4.420 nan 0.000 0.274 31 P C -2.602 174.573 177.300 -0.208 0.000 1.256 31 P CA -1.499 61.437 63.100 -0.273 0.000 0.795 31 P CB -0.280 31.188 31.700 -0.387 0.000 1.038 32 P HA 0.049 nan 4.420 nan 0.000 0.261 32 P C -0.777 176.720 177.300 0.327 0.000 1.183 32 P CA 1.123 64.268 63.100 0.075 0.000 0.761 32 P CB -0.134 31.652 31.700 0.144 0.000 0.785 33 F N 1.308 121.363 119.950 0.174 0.000 2.579 33 F HA 0.612 5.153 4.527 0.023 0.000 0.324 33 F C 0.959 176.692 175.800 -0.112 0.000 1.058 33 F CA -1.063 56.978 58.000 0.069 0.000 0.944 33 F CB 2.210 41.199 39.000 -0.018 0.000 1.245 33 F HN 0.207 nan 8.300 nan 0.000 0.477 34 A N 0.355 123.115 122.820 -0.099 0.000 2.664 34 A HA 0.245 4.579 4.320 0.024 0.000 0.222 34 A C 0.559 177.850 177.584 -0.489 0.000 1.320 34 A CA 0.336 52.075 52.037 -0.497 0.000 1.029 34 A CB -0.090 18.140 19.000 -1.283 0.000 1.318 34 A HN 0.734 nan 8.150 nan 0.000 0.589 35 S N 0.651 116.178 115.700 -0.289 0.000 3.447 35 S HA -0.148 4.336 4.470 0.024 0.000 0.371 35 S C 0.031 174.566 174.600 -0.109 0.000 0.951 35 S CA 0.438 58.529 58.200 -0.182 0.000 1.269 35 S CB -1.503 61.594 63.200 -0.171 0.000 0.919 35 S HN 0.468 nan 8.310 nan 0.000 0.516 36 W N 1.800 123.085 121.300 -0.025 0.000 2.137 36 W HA 0.263 4.937 4.660 0.023 0.000 0.344 36 W C 1.351 177.850 176.519 -0.033 0.000 1.286 36 W CA -0.603 56.731 57.345 -0.018 0.000 1.240 36 W CB 0.259 29.708 29.460 -0.017 0.000 1.141 36 W HN 0.329 nan 8.180 nan 0.000 0.579 37 R N 1.766 122.398 120.500 0.219 0.000 2.577 37 R HA 0.092 4.446 4.340 0.024 0.000 0.344 37 R C -0.130 176.222 176.300 0.086 0.000 1.037 37 R CA -0.132 56.034 56.100 0.110 0.000 1.102 37 R CB -0.182 30.152 30.300 0.057 0.000 1.313 37 R HN 0.371 nan 8.270 nan 0.000 0.561 38 N N 0.123 118.882 118.700 0.099 0.000 2.454 38 N HA 0.099 4.854 4.740 0.024 0.000 0.291 38 N C -0.096 175.376 175.510 -0.063 0.000 1.079 38 N CA 0.004 53.063 53.050 0.015 0.000 0.893 38 N CB 1.793 40.288 38.487 0.013 0.000 1.512 38 N HN -0.230 nan 8.380 nan 0.000 0.497 39 S N 2.478 118.122 115.700 -0.093 0.000 2.402 39 S HA -0.169 4.316 4.470 0.024 0.000 0.229 39 S C 1.432 175.858 174.600 -0.288 0.000 1.021 39 S CA 1.093 59.195 58.200 -0.164 0.000 0.974 39 S CB 0.003 63.137 63.200 -0.110 0.000 0.800 39 S HN 0.800 nan 8.310 nan 0.000 0.484 40 E N 1.684 121.729 120.200 -0.258 0.000 2.150 40 E HA -0.140 4.224 4.350 0.024 0.000 0.193 40 E C 1.809 178.180 176.600 -0.382 0.000 0.985 40 E CA 1.021 57.226 56.400 -0.326 0.000 0.814 40 E CB -0.094 29.470 29.700 -0.228 0.000 0.752 40 E HN 0.299 nan 8.360 nan 0.000 0.466 41 E N 0.302 120.284 120.200 -0.362 0.000 2.106 41 E HA -0.130 4.234 4.350 0.024 0.000 0.192 41 E C 2.020 177.996 176.600 -1.041 0.000 0.984 41 E CA 1.066 57.199 56.400 -0.444 0.000 0.806 41 E CB -0.371 29.206 29.700 -0.204 0.000 0.750 41 E HN 0.422 nan 8.360 nan 0.000 0.458 42 A N 1.662 123.682 122.820 -1.333 0.000 1.902 42 A HA -0.190 4.144 4.320 0.024 0.000 0.217 42 A C 2.234 179.213 177.584 -1.010 0.000 1.181 42 A CA 1.580 52.473 52.037 -1.906 0.000 0.623 42 A CB -0.508 17.934 19.000 -0.929 0.000 0.818 42 A HN 0.126 nan 8.150 nan 0.000 0.443 43 R N -0.178 119.924 120.500 -0.664 0.000 2.083 43 R HA -0.157 4.197 4.340 0.024 0.000 0.237 43 R C 1.984 178.038 176.300 -0.410 0.000 1.137 43 R CA 2.221 57.998 56.100 -0.538 0.000 0.951 43 R CB -0.527 29.337 30.300 -0.727 0.000 0.851 43 R HN 0.629 nan 8.270 nan 0.000 0.434 44 T N -2.518 111.800 114.554 -0.393 0.000 3.129 44 T HA 0.033 4.397 4.350 0.024 0.000 0.251 44 T C 0.259 174.870 174.700 -0.148 0.000 1.117 44 T CA 0.530 62.489 62.100 -0.236 0.000 1.034 44 T CB 0.018 68.774 68.868 -0.188 0.000 0.968 44 T HN 0.377 nan 8.240 nan 0.000 0.526 45 D N 0.802 121.072 120.400 -0.217 0.000 2.800 45 D HA -0.154 4.501 4.640 0.024 0.000 0.232 45 D C 0.095 176.517 176.300 0.202 0.000 1.137 45 D CA 0.453 54.480 54.000 0.046 0.000 0.718 45 D CB -1.088 39.782 40.800 0.118 0.000 1.084 45 D HN 0.593 nan 8.370 nan 0.000 0.432 46 R N -0.110 120.487 120.500 0.160 0.000 2.541 46 R HA 0.577 4.931 4.340 0.024 0.000 0.263 46 R C -2.147 174.417 176.300 0.439 0.000 1.112 46 R CA -1.547 54.689 56.100 0.227 0.000 1.170 46 R CB 0.288 30.658 30.300 0.117 0.000 1.167 46 R HN 0.025 nan 8.270 nan 0.000 0.582 47 P HA -0.038 nan 4.420 nan 0.000 0.265 47 P C -0.897 176.564 177.300 0.269 0.000 1.193 47 P CA 0.301 63.541 63.100 0.232 0.000 0.765 47 P CB 0.787 32.575 31.700 0.147 0.000 0.823 48 S N 1.941 117.698 115.700 0.095 0.000 2.437 48 S HA 0.128 4.612 4.470 0.024 0.000 0.305 48 S C 0.959 175.582 174.600 0.039 0.000 1.109 48 S CA -0.481 57.702 58.200 -0.029 0.000 1.099 48 S CB 0.428 63.316 63.200 -0.520 0.000 1.004 48 S HN 0.211 nan 8.310 nan 0.000 0.475 49 Q N 2.673 122.531 119.800 0.095 0.000 2.437 49 Q HA -0.001 4.354 4.340 0.024 0.000 0.210 49 Q C 1.006 177.123 176.000 0.194 0.000 0.972 49 Q CA 1.234 57.122 55.803 0.141 0.000 0.903 49 Q CB -0.102 28.719 28.738 0.139 0.000 0.967 49 Q HN 0.687 nan 8.270 nan 0.000 0.486 50 Q N -0.700 119.131 119.800 0.052 0.000 2.403 50 Q HA 0.142 4.496 4.340 0.024 0.000 0.203 50 Q C -0.392 175.663 176.000 0.093 0.000 0.932 50 Q CA 0.069 55.850 55.803 -0.038 0.000 0.945 50 Q CB 0.417 29.041 28.738 -0.190 0.000 1.045 50 Q HN 0.041 nan 8.270 nan 0.000 0.511 51 L N 0.764 122.060 121.223 0.121 0.000 2.345 51 L HA 0.436 4.790 4.340 0.024 0.000 0.274 51 L C -1.114 175.855 176.870 0.166 0.000 0.999 51 L CA -0.332 54.581 54.840 0.121 0.000 0.849 51 L CB 0.993 43.033 42.059 -0.032 0.000 1.220 51 L HN -0.111 nan 8.230 nan 0.000 0.422 52 R N 2.491 123.119 120.500 0.214 0.000 2.604 52 R HA 0.587 4.942 4.340 0.024 0.000 0.287 52 R C -0.554 175.767 176.300 0.035 0.000 0.970 52 R CA -0.723 55.438 56.100 0.101 0.000 0.946 52 R CB 2.023 32.334 30.300 0.018 0.000 1.127 52 R HN 0.646 nan 8.270 nan 0.000 0.473 53 S N 1.928 117.638 115.700 0.017 0.000 2.554 53 S HA 0.287 4.771 4.470 0.024 0.000 0.278 53 S C 0.564 175.154 174.600 -0.016 0.000 1.242 53 S CA -0.639 57.561 58.200 -0.001 0.000 1.051 53 S CB 0.540 63.752 63.200 0.019 0.000 0.986 53 S HN 0.542 nan 8.310 nan 0.000 0.502 54 L N 3.565 124.774 121.223 -0.022 0.000 2.818 54 L HA 0.317 4.671 4.340 0.024 0.000 0.243 54 L C 0.056 177.066 176.870 0.234 0.000 1.185 54 L CA -0.397 54.453 54.840 0.017 0.000 0.988 54 L CB -0.305 41.704 42.059 -0.083 0.000 1.292 54 L HN 0.500 nan 8.230 nan 0.000 0.519 55 N N 1.318 120.093 118.700 0.126 0.000 2.508 55 N HA 0.523 5.277 4.740 0.024 0.000 0.264 55 N C 0.623 176.239 175.510 0.177 0.000 1.216 55 N CA 0.851 53.974 53.050 0.121 0.000 0.943 55 N CB 1.524 40.025 38.487 0.025 0.000 1.113 55 N HN 0.303 nan 8.380 nan 0.000 0.447 56 G N 0.607 109.534 108.800 0.212 0.000 2.366 56 G HA2 -0.051 3.923 3.960 0.024 0.000 0.190 56 G HA3 -0.051 3.923 3.960 0.024 0.000 0.190 56 G C -1.553 173.531 174.900 0.306 0.000 1.299 56 G CA -0.759 44.460 45.100 0.198 0.000 1.056 56 G HN 0.456 nan 8.290 nan 0.000 0.468 57 E N 0.057 120.421 120.200 0.274 0.000 2.229 57 E HA 0.479 4.843 4.350 0.024 0.000 0.283 57 E C -0.979 175.880 176.600 0.432 0.000 1.030 57 E CA -0.234 56.347 56.400 0.302 0.000 0.836 57 E CB 1.197 31.001 29.700 0.172 0.000 1.068 57 E HN 0.354 nan 8.360 nan 0.000 0.401 58 W N 1.531 122.922 121.300 0.151 0.000 2.958 58 W HA 0.406 5.081 4.660 0.024 0.000 0.339 58 W C 0.126 176.774 176.519 0.215 0.000 1.174 58 W CA -0.735 56.727 57.345 0.195 0.000 1.064 58 W CB 0.707 30.338 29.460 0.285 0.000 1.471 58 W HN 0.193 nan 8.180 nan 0.000 0.599 59 R N 1.320 122.108 120.500 0.480 0.000 2.428 59 R HA 0.579 4.933 4.340 0.024 0.000 0.294 59 R C -1.462 175.104 176.300 0.443 0.000 1.000 59 R CA -0.812 55.510 56.100 0.369 0.000 0.960 59 R CB 1.083 31.539 30.300 0.260 0.000 1.076 59 R HN 0.440 nan 8.270 nan 0.000 0.475 60 F N 0.297 120.297 119.950 0.084 0.000 2.608 60 F HA 0.601 5.142 4.527 0.024 0.000 0.309 60 F C -1.529 174.113 175.800 -0.263 0.000 1.103 60 F CA -0.628 57.278 58.000 -0.156 0.000 0.954 60 F CB 1.994 40.809 39.000 -0.309 0.000 1.267 60 F HN 0.608 nan 8.300 nan 0.000 0.444 61 A N 4.560 126.629 122.820 -1.251 0.000 2.398 61 A HA 0.553 4.887 4.320 0.024 0.000 0.301 61 A C -2.307 174.294 177.584 -1.639 0.000 1.041 61 A CA -0.518 50.849 52.037 -1.117 0.000 0.711 61 A CB 0.658 19.274 19.000 -0.641 0.000 1.240 61 A HN 0.938 nan 8.150 nan 0.000 0.420 62 W N 3.126 123.537 121.300 -1.481 0.000 2.417 62 W HA 0.726 5.400 4.660 0.024 0.000 0.317 62 W C -1.742 174.075 176.519 -1.170 0.000 1.121 62 W CA -0.249 56.367 57.345 -1.215 0.000 1.208 62 W CB 0.805 29.847 29.460 -0.697 0.000 1.253 62 W HN 0.492 nan 8.180 nan 0.000 0.533 63 F N 6.194 125.410 119.950 -1.223 0.000 2.588 63 F HA 0.379 4.920 4.527 0.024 0.000 0.314 63 F C -1.271 173.595 175.800 -1.557 0.000 1.069 63 F CA -2.243 55.170 58.000 -0.980 0.000 0.931 63 F CB 1.859 40.454 39.000 -0.674 0.000 1.260 63 F HN 0.216 nan 8.300 nan 0.000 0.465 64 P HA 0.146 nan 4.420 nan 0.000 0.236 64 P C -0.438 176.723 177.300 -0.232 0.000 1.177 64 P CA 0.756 63.553 63.100 -0.505 0.000 0.773 64 P CB 0.703 32.405 31.700 0.003 0.000 0.878 65 A N -0.377 122.317 122.820 -0.210 0.000 2.599 65 A HA 0.509 4.843 4.320 0.024 0.000 0.294 65 A C -2.455 175.023 177.584 -0.176 0.000 1.055 65 A CA -0.969 50.997 52.037 -0.117 0.000 0.683 65 A CB 0.465 19.463 19.000 -0.003 0.000 1.278 65 A HN -0.296 nan 8.150 nan 0.000 0.412 66 P HA -0.114 nan 4.420 nan 0.000 0.220 66 P C 0.691 177.894 177.300 -0.162 0.000 1.148 66 P CA 1.473 64.438 63.100 -0.225 0.000 0.803 66 P CB 0.223 31.755 31.700 -0.280 0.000 0.782 67 E N 0.067 120.233 120.200 -0.056 0.000 2.401 67 E HA -0.048 4.316 4.350 0.024 0.000 0.199 67 E C 1.897 178.421 176.600 -0.126 0.000 1.023 67 E CA 1.123 57.496 56.400 -0.046 0.000 0.859 67 E CB -0.807 28.903 29.700 0.017 0.000 0.780 67 E HN 0.264 nan 8.360 nan 0.000 0.523 68 A N 0.246 122.949 122.820 -0.194 0.000 2.308 68 A HA 0.142 4.476 4.320 0.024 0.000 0.217 68 A C 0.533 177.791 177.584 -0.544 0.000 1.216 68 A CA -0.246 51.656 52.037 -0.225 0.000 0.864 68 A CB 0.379 19.334 19.000 -0.076 0.000 0.902 68 A HN 0.032 nan 8.150 nan 0.000 0.499 69 V N 3.195 122.700 119.914 -0.682 0.000 2.439 69 V HA 0.183 4.318 4.120 0.024 0.000 0.271 69 V C -2.173 173.576 176.094 -0.575 0.000 1.040 69 V CA -1.430 60.254 62.300 -1.027 0.000 1.002 69 V CB 0.542 31.810 31.823 -0.925 0.000 1.000 69 V HN 0.309 nan 8.190 nan 0.000 0.477 70 P HA 0.180 nan 4.420 nan 0.000 0.271 70 P C 0.404 177.629 177.300 -0.126 0.000 1.216 70 P CA -0.215 62.754 63.100 -0.218 0.000 0.771 70 P CB 1.067 32.696 31.700 -0.119 0.000 0.864 71 E N 1.256 121.400 120.200 -0.094 0.000 2.204 71 E HA -0.153 4.211 4.350 0.024 0.000 0.195 71 E C 1.903 178.466 176.600 -0.062 0.000 0.990 71 E CA 1.520 57.871 56.400 -0.082 0.000 0.821 71 E CB -0.567 29.091 29.700 -0.071 0.000 0.750 71 E HN 0.547 nan 8.360 nan 0.000 0.477 72 S N -0.529 115.153 115.700 -0.030 0.000 2.419 72 S HA -0.228 4.257 4.470 0.024 0.000 0.235 72 S C 1.883 176.481 174.600 -0.004 0.000 1.019 72 S CA 0.925 59.115 58.200 -0.017 0.000 0.982 72 S CB -0.833 62.368 63.200 0.002 0.000 0.789 72 S HN 0.571 nan 8.310 nan 0.000 0.490 73 W N 2.281 123.476 121.300 -0.175 0.000 2.341 73 W HA -0.033 4.641 4.660 0.023 0.000 0.283 73 W C 1.632 178.026 176.519 -0.208 0.000 1.215 73 W CA 1.150 58.389 57.345 -0.178 0.000 1.211 73 W CB -0.342 28.990 29.460 -0.213 0.000 1.131 73 W HN 0.289 nan 8.180 nan 0.000 0.552 74 L N 0.190 121.171 121.223 -0.403 0.000 2.141 74 L HA -0.169 4.186 4.340 0.024 0.000 0.209 74 L C 2.482 179.107 176.870 -0.407 0.000 1.094 74 L CA 1.260 55.719 54.840 -0.634 0.000 0.763 74 L CB -0.674 41.047 42.059 -0.563 0.000 0.908 74 L HN -0.048 nan 8.230 nan 0.000 0.437 75 E N -0.871 119.178 120.200 -0.251 0.000 2.166 75 E HA 0.027 4.391 4.350 0.024 0.000 0.192 75 E C 0.511 177.028 176.600 -0.139 0.000 0.967 75 E CA 0.679 56.988 56.400 -0.152 0.000 0.840 75 E CB 0.580 30.227 29.700 -0.089 0.000 0.795 75 E HN 0.517 nan 8.360 nan 0.000 0.470 76 C N -0.610 118.610 119.300 -0.133 0.000 3.288 76 C HA 0.497 4.971 4.460 0.024 0.000 0.318 76 C C -0.343 174.623 174.990 -0.040 0.000 1.356 76 C CA -1.508 57.458 59.018 -0.087 0.000 1.359 76 C CB 0.941 28.656 27.740 -0.042 0.000 1.688 76 C HN 0.111 nan 8.230 nan 0.000 0.467 77 D N 0.643 121.039 120.400 -0.006 0.000 2.571 77 D HA 0.260 4.915 4.640 0.024 0.000 0.231 77 D C -0.275 176.089 176.300 0.107 0.000 1.133 77 D CA 0.564 54.603 54.000 0.066 0.000 0.862 77 D CB 0.448 41.282 40.800 0.056 0.000 1.179 77 D HN 0.581 nan 8.370 nan 0.000 0.474 78 L N 6.205 127.537 121.223 0.182 0.000 2.281 78 L HA 0.236 4.590 4.340 0.024 0.000 0.285 78 L C -1.231 175.696 176.870 0.096 0.000 1.074 78 L CA -1.625 53.304 54.840 0.149 0.000 0.817 78 L CB 1.312 43.479 42.059 0.179 0.000 1.168 78 L HN 0.493 nan 8.230 nan 0.000 0.434 79 P HA -0.250 nan 4.420 nan 0.000 0.216 79 P C 0.997 178.323 177.300 0.044 0.000 1.154 79 P CA 1.392 64.522 63.100 0.050 0.000 0.865 79 P CB 0.061 31.785 31.700 0.040 0.000 0.789 80 E N -0.514 119.707 120.200 0.036 0.000 2.401 80 E HA 0.029 4.393 4.350 0.024 0.000 0.199 80 E C 0.869 177.469 176.600 0.001 0.000 1.023 80 E CA 0.242 56.650 56.400 0.012 0.000 0.859 80 E CB -0.596 29.100 29.700 -0.006 0.000 0.780 80 E HN 0.145 nan 8.360 nan 0.000 0.523 81 A N 1.817 124.651 122.820 0.023 0.000 2.366 81 A HA 0.121 4.456 4.320 0.024 0.000 0.249 81 A C -0.129 177.500 177.584 0.075 0.000 1.084 81 A CA -0.266 51.786 52.037 0.025 0.000 0.794 81 A CB 0.426 19.471 19.000 0.075 0.000 1.034 81 A HN 0.005 nan 8.150 nan 0.000 0.491 82 D N -0.105 120.366 120.400 0.120 0.000 2.326 82 D HA 0.502 5.157 4.640 0.024 0.000 0.248 82 D C -0.599 175.813 176.300 0.188 0.000 1.001 82 D CA 0.024 54.121 54.000 0.161 0.000 0.961 82 D CB 1.436 42.382 40.800 0.244 0.000 1.183 82 D HN 0.392 nan 8.370 nan 0.000 0.502 83 T N 0.552 115.201 114.554 0.159 0.000 2.744 83 T HA 0.502 4.866 4.350 0.024 0.000 0.291 83 T C 0.140 174.937 174.700 0.162 0.000 0.957 83 T CA -0.560 61.644 62.100 0.172 0.000 1.002 83 T CB 0.737 69.680 68.868 0.125 0.000 0.919 83 T HN 0.269 nan 8.240 nan 0.000 0.468 84 V N 1.276 121.319 119.914 0.214 0.000 3.102 84 V HA 0.814 4.948 4.120 0.024 0.000 0.312 84 V C -0.351 175.871 176.094 0.213 0.000 1.135 84 V CA -1.028 61.363 62.300 0.152 0.000 1.022 84 V CB 1.692 33.630 31.823 0.191 0.000 1.056 84 V HN 0.513 nan 8.190 nan 0.000 0.436 85 V N 1.813 121.832 119.914 0.177 0.000 2.607 85 V HA 0.537 4.671 4.120 0.024 0.000 0.289 85 V C 0.000 176.172 176.094 0.131 0.000 1.053 85 V CA -0.139 62.255 62.300 0.158 0.000 0.996 85 V CB 1.474 33.357 31.823 0.100 0.000 0.995 85 V HN 0.757 nan 8.190 nan 0.000 0.476 86 V N 6.796 126.704 119.914 -0.009 0.000 2.540 86 V HA 0.455 4.589 4.120 0.024 0.000 0.302 86 V C -2.305 173.666 176.094 -0.204 0.000 1.035 86 V CA -1.786 60.361 62.300 -0.255 0.000 0.873 86 V CB 2.418 33.731 31.823 -0.849 0.000 0.992 86 V HN 0.762 nan 8.190 nan 0.000 0.428 87 P HA 0.424 nan 4.420 nan 0.000 0.274 87 P C -0.798 176.418 177.300 -0.140 0.000 1.231 87 P CA -0.069 62.898 63.100 -0.221 0.000 0.790 87 P CB 1.183 32.767 31.700 -0.193 0.000 0.951 88 S N 0.525 116.150 115.700 -0.124 0.000 2.615 88 S HA 0.440 4.924 4.470 0.024 0.000 0.268 88 S C -1.254 173.265 174.600 -0.135 0.000 1.146 88 S CA -1.032 57.078 58.200 -0.149 0.000 0.818 88 S CB 0.661 63.703 63.200 -0.264 0.000 1.111 88 S HN 0.346 nan 8.310 nan 0.000 0.465 89 N N 0.797 119.355 118.700 -0.237 0.000 2.392 89 N HA 0.439 5.193 4.740 0.024 0.000 0.283 89 N C 0.385 175.710 175.510 -0.308 0.000 1.003 89 N CA -0.867 52.015 53.050 -0.280 0.000 0.892 89 N CB 0.818 39.111 38.487 -0.322 0.000 1.193 89 N HN 0.866 nan 8.380 nan 0.000 0.487 90 W N 2.445 123.604 121.300 -0.235 0.000 2.468 90 W HA -0.039 4.636 4.660 0.024 0.000 0.262 90 W C 0.906 177.386 176.519 -0.065 0.000 1.241 90 W CA 0.607 57.809 57.345 -0.239 0.000 1.232 90 W CB -0.302 29.006 29.460 -0.253 0.000 1.124 90 W HN 0.511 nan 8.180 nan 0.000 0.597 91 Q N 0.568 120.324 119.800 -0.074 0.000 2.224 91 Q HA -0.084 4.270 4.340 0.024 0.000 0.203 91 Q C 2.108 178.052 176.000 -0.094 0.000 0.970 91 Q CA 1.602 57.375 55.803 -0.049 0.000 0.865 91 Q CB -0.556 28.035 28.738 -0.245 0.000 0.922 91 Q HN 0.283 nan 8.270 nan 0.000 0.445 92 M N -0.815 118.691 119.600 -0.157 0.000 2.619 92 M HA -0.021 4.473 4.480 0.024 0.000 0.251 92 M C 0.597 176.959 176.300 0.103 0.000 1.106 92 M CA 1.234 56.467 55.300 -0.110 0.000 1.086 92 M CB -0.480 32.034 32.600 -0.143 0.000 1.465 92 M HN 0.382 nan 8.290 nan 0.000 0.506 93 H N -0.925 118.157 119.070 0.020 0.000 2.586 93 H HA 0.272 4.842 4.556 0.024 0.000 0.273 93 H C 1.284 176.485 175.328 -0.212 0.000 0.997 93 H CA 0.170 56.211 56.048 -0.012 0.000 1.177 93 H CB 0.612 30.480 29.762 0.176 0.000 1.471 93 H HN 0.544 nan 8.280 nan 0.000 0.538 94 G N 0.633 109.418 108.800 -0.024 0.000 2.157 94 G HA2 -0.354 3.621 3.960 0.024 0.000 0.248 94 G HA3 -0.354 3.621 3.960 0.024 0.000 0.248 94 G C 0.392 175.143 174.900 -0.248 0.000 0.979 94 G CA 0.293 45.307 45.100 -0.143 0.000 0.650 94 G HN 0.466 nan 8.290 nan 0.000 0.529 95 Y N 1.593 121.898 120.300 0.008 0.000 2.293 95 Y HA 0.257 4.821 4.550 0.024 0.000 0.291 95 Y C 1.631 177.271 175.900 -0.433 0.000 1.137 95 Y CA 1.554 59.528 58.100 -0.210 0.000 1.202 95 Y CB 0.207 38.605 38.460 -0.103 0.000 0.990 95 Y HN 0.640 nan 8.280 nan 0.000 0.537 96 D N -1.819 118.624 120.400 0.072 0.000 2.639 96 D HA 0.459 5.113 4.640 0.024 0.000 0.271 96 D C -1.210 175.157 176.300 0.111 0.000 1.254 96 D CA -0.849 53.194 54.000 0.072 0.000 0.810 96 D CB 0.770 41.710 40.800 0.233 0.000 1.351 96 D HN -0.048 nan 8.370 nan 0.000 0.427 97 A N 0.518 123.412 122.820 0.124 0.000 2.363 97 A HA 0.648 4.982 4.320 0.024 0.000 0.270 97 A C -2.237 175.375 177.584 0.047 0.000 1.121 97 A CA -1.044 51.056 52.037 0.104 0.000 0.800 97 A CB -0.075 19.054 19.000 0.215 0.000 1.052 97 A HN 0.538 nan 8.150 nan 0.000 0.493 98 P HA 0.411 nan 4.420 nan 0.000 0.278 98 P C -0.846 176.626 177.300 0.286 0.000 1.238 98 P CA 0.071 63.123 63.100 -0.079 0.000 0.794 98 P CB 0.800 32.197 31.700 -0.505 0.000 0.955 99 I N 2.302 123.121 120.570 0.416 0.000 2.474 99 I HA 0.271 4.455 4.170 0.024 0.000 0.294 99 I C -0.424 175.885 176.117 0.320 0.000 1.005 99 I CA -0.999 60.547 61.300 0.410 0.000 1.113 99 I CB 1.555 39.727 38.000 0.287 0.000 1.289 99 I HN 0.293 nan 8.210 nan 0.000 0.436 100 Y N 5.909 126.145 120.300 -0.106 0.000 2.478 100 Y HA 0.524 5.088 4.550 0.023 0.000 0.329 100 Y C -0.355 175.391 175.900 -0.257 0.000 0.967 100 Y CA -0.533 57.219 58.100 -0.580 0.000 1.255 100 Y CB 1.144 38.745 38.460 -1.432 0.000 1.103 100 Y HN 0.552 nan 8.280 nan 0.000 0.497 101 T N 5.058 119.096 114.554 -0.859 0.000 2.876 101 T HA 0.265 4.629 4.350 0.024 0.000 0.289 101 T C 0.196 174.411 174.700 -0.808 0.000 1.014 101 T CA -0.579 61.052 62.100 -0.781 0.000 0.986 101 T CB 1.138 69.791 68.868 -0.358 0.000 1.021 101 T HN 0.781 nan 8.240 nan 0.000 0.458 102 N N 2.810 121.093 118.700 -0.696 0.000 2.272 102 N HA 0.046 4.800 4.740 0.024 0.000 0.195 102 N C 1.546 176.815 175.510 -0.401 0.000 1.048 102 N CA 1.570 54.377 53.050 -0.405 0.000 0.912 102 N CB -0.620 37.694 38.487 -0.289 0.000 1.096 102 N HN 0.389 nan 8.380 nan 0.000 0.471 103 V N 0.239 119.849 119.914 -0.507 0.000 2.575 103 V HA 0.123 4.258 4.120 0.024 0.000 0.242 103 V C 0.379 176.177 176.094 -0.493 0.000 1.045 103 V CA 0.839 62.752 62.300 -0.645 0.000 1.065 103 V CB -0.620 30.724 31.823 -0.799 0.000 0.717 103 V HN 0.318 nan 8.190 nan 0.000 0.467 104 T N 1.074 115.404 114.554 -0.373 0.000 2.867 104 T HA 0.144 4.508 4.350 0.024 0.000 0.297 104 T C -0.328 174.248 174.700 -0.207 0.000 0.989 104 T CA 0.247 62.203 62.100 -0.241 0.000 1.159 104 T CB -0.190 68.569 68.868 -0.182 0.000 0.928 104 T HN 0.181 nan 8.240 nan 0.000 0.538 105 Y N 4.669 124.879 120.300 -0.151 0.000 2.578 105 Y HA 0.114 4.678 4.550 0.023 0.000 0.339 105 Y C -0.773 175.008 175.900 -0.199 0.000 1.231 105 Y CA -1.609 56.392 58.100 -0.165 0.000 1.461 105 Y CB 0.489 38.850 38.460 -0.166 0.000 1.323 105 Y HN 0.517 nan 8.280 nan 0.000 0.590 106 P HA 0.012 nan 4.420 nan 0.000 0.245 106 P C -0.423 176.678 177.300 -0.333 0.000 1.212 106 P CA 1.005 64.017 63.100 -0.147 0.000 0.774 106 P CB -0.016 31.659 31.700 -0.042 0.000 0.999 107 I N -5.264 115.070 120.570 -0.394 0.000 2.892 107 I HA 0.504 4.688 4.170 0.024 0.000 0.306 107 I C -0.498 175.485 176.117 -0.223 0.000 1.078 107 I CA -1.197 59.834 61.300 -0.448 0.000 1.032 107 I CB 1.824 39.369 38.000 -0.757 0.000 1.229 107 I HN -0.460 nan 8.210 nan 0.000 0.435 108 T N 2.840 117.310 114.554 -0.140 0.000 2.940 108 T HA 0.143 4.507 4.350 0.024 0.000 0.309 108 T C 0.180 174.861 174.700 -0.031 0.000 1.056 108 T CA -0.180 61.886 62.100 -0.056 0.000 1.137 108 T CB 0.724 69.580 68.868 -0.020 0.000 0.976 108 T HN 0.389 nan 8.240 nan 0.000 0.547 109 V N 4.832 124.744 119.914 -0.003 0.000 2.370 109 V HA 0.234 4.368 4.120 0.024 0.000 0.257 109 V C 0.689 176.818 176.094 0.058 0.000 1.064 109 V CA -0.152 62.164 62.300 0.026 0.000 0.975 109 V CB -0.130 31.694 31.823 0.001 0.000 1.067 109 V HN 0.849 nan 8.190 nan 0.000 0.485 110 N N 5.909 124.698 118.700 0.148 0.000 2.639 110 N HA 0.227 4.982 4.740 0.024 0.000 0.265 110 N C -2.828 172.778 175.510 0.160 0.000 1.689 110 N CA -1.211 51.924 53.050 0.143 0.000 0.813 110 N CB 1.376 39.975 38.487 0.186 0.000 1.353 110 N HN 0.296 nan 8.380 nan 0.000 0.510 111 P HA 0.182 nan 4.420 nan 0.000 0.266 111 P C -2.161 175.006 177.300 -0.222 0.000 1.195 111 P CA -0.598 62.105 63.100 -0.662 0.000 0.768 111 P CB 0.664 31.768 31.700 -0.992 0.000 0.838 112 P HA 0.192 nan 4.420 nan 0.000 0.258 112 P C -0.282 176.889 177.300 -0.214 0.000 1.416 112 P CA -0.210 62.720 63.100 -0.284 0.000 0.927 112 P CB 0.007 31.500 31.700 -0.345 0.000 1.444 113 F N 1.112 121.170 119.950 0.180 0.000 2.380 113 F HA 0.279 4.820 4.527 0.024 0.000 0.325 113 F C 1.387 177.348 175.800 0.268 0.000 1.136 113 F CA -0.594 57.519 58.000 0.188 0.000 1.171 113 F CB 0.549 39.610 39.000 0.102 0.000 1.230 113 F HN -0.213 nan 8.300 nan 0.000 0.554 114 V N -1.312 118.865 119.914 0.439 0.000 3.126 114 V HA 0.698 4.833 4.120 0.024 0.000 0.314 114 V C -2.780 173.474 176.094 0.268 0.000 1.138 114 V CA -2.934 59.549 62.300 0.304 0.000 1.034 114 V CB 1.312 33.362 31.823 0.379 0.000 1.075 114 V HN 0.481 nan 8.190 nan 0.000 0.442 115 P HA 0.205 nan 4.420 nan 0.000 0.267 115 P C 0.976 178.421 177.300 0.242 0.000 1.200 115 P CA 0.453 63.648 63.100 0.158 0.000 0.772 115 P CB 0.510 32.276 31.700 0.110 0.000 0.855 116 T N -1.710 112.960 114.554 0.193 0.000 2.904 116 T HA -0.056 4.308 4.350 0.024 0.000 0.267 116 T C 0.607 175.423 174.700 0.192 0.000 1.059 116 T CA 0.693 62.914 62.100 0.202 0.000 1.137 116 T CB -0.432 68.522 68.868 0.144 0.000 0.879 116 T HN 0.376 nan 8.240 nan 0.000 0.467 117 E N 2.626 122.937 120.200 0.185 0.000 1.865 117 E HA 0.209 4.573 4.350 0.024 0.000 0.269 117 E C -0.747 176.012 176.600 0.264 0.000 1.177 117 E CA -0.335 56.178 56.400 0.188 0.000 0.932 117 E CB 0.083 29.895 29.700 0.187 0.000 1.066 117 E HN 0.217 nan 8.360 nan 0.000 0.405 118 N N 4.605 123.435 118.700 0.217 0.000 2.623 118 N HA 0.239 4.993 4.740 0.024 0.000 0.256 118 N C -2.857 172.684 175.510 0.052 0.000 1.045 118 N CA -2.450 50.758 53.050 0.265 0.000 0.863 118 N CB 1.160 39.809 38.487 0.270 0.000 1.182 118 N HN 0.045 nan 8.380 nan 0.000 0.523 119 P HA 0.011 nan 4.420 nan 0.000 0.258 119 P C -0.813 176.391 177.300 -0.161 0.000 1.172 119 P CA 0.530 63.585 63.100 -0.074 0.000 0.762 119 P CB 0.350 32.302 31.700 0.420 0.000 0.764 120 T N 2.902 117.095 114.554 -0.602 0.000 2.792 120 T HA 0.567 4.931 4.350 0.024 0.000 0.280 120 T C 0.310 174.480 174.700 -0.884 0.000 0.990 120 T CA -0.557 61.241 62.100 -0.503 0.000 0.960 120 T CB 1.554 70.172 68.868 -0.418 0.000 0.939 120 T HN 0.331 nan 8.240 nan 0.000 0.439 121 G N 0.965 109.306 108.800 -0.765 0.000 2.370 121 G HA2 0.482 4.456 3.960 0.024 0.000 0.317 121 G HA3 0.482 4.456 3.960 0.024 0.000 0.317 121 G C -0.356 174.245 174.900 -0.499 0.000 1.162 121 G CA -0.366 44.151 45.100 -0.971 0.000 0.922 121 G HN 0.862 nan 8.290 nan 0.000 0.454 122 C N 3.169 121.960 119.300 -0.848 0.000 2.225 122 C HA 0.484 4.958 4.460 0.024 0.000 0.323 122 C C -0.524 174.409 174.990 -0.095 0.000 1.164 122 C CA -0.850 57.841 59.018 -0.544 0.000 1.565 122 C CB -1.686 25.337 27.740 -1.195 0.000 2.124 122 C HN 0.642 nan 8.230 nan 0.000 0.461 123 Y N 1.949 122.526 120.300 0.460 0.000 2.420 123 Y HA 0.659 5.224 4.550 0.024 0.000 0.334 123 Y C 0.793 177.152 175.900 0.765 0.000 1.094 123 Y CA -0.040 58.450 58.100 0.648 0.000 1.126 123 Y CB 1.641 40.481 38.460 0.635 0.000 1.217 123 Y HN 0.677 nan 8.280 nan 0.000 0.462 124 S N 2.056 118.246 115.700 0.817 0.000 2.570 124 S HA 0.807 5.291 4.470 0.024 0.000 0.270 124 S C -2.004 172.637 174.600 0.070 0.000 1.149 124 S CA -0.829 57.600 58.200 0.382 0.000 0.837 124 S CB 2.179 65.488 63.200 0.182 0.000 1.124 124 S HN 0.586 nan 8.310 nan 0.000 0.465 125 L N 0.809 121.885 121.223 -0.244 0.000 2.526 125 L HA 0.685 5.039 4.340 0.024 0.000 0.263 125 L C -1.137 175.667 176.870 -0.109 0.000 0.943 125 L CA 0.143 54.694 54.840 -0.481 0.000 0.859 125 L CB 2.318 43.569 42.059 -1.347 0.000 1.313 125 L HN 0.924 nan 8.230 nan 0.000 0.406 126 T N 5.840 120.369 114.554 -0.041 0.000 2.749 126 T HA 0.741 5.105 4.350 0.024 0.000 0.287 126 T C -0.809 173.960 174.700 0.115 0.000 0.970 126 T CA 0.004 62.127 62.100 0.039 0.000 0.980 126 T CB 0.105 68.959 68.868 -0.024 0.000 0.924 126 T HN 0.446 nan 8.240 nan 0.000 0.456 127 F N 1.047 120.901 119.950 -0.161 0.000 2.685 127 F HA 0.717 5.259 4.527 0.024 0.000 0.315 127 F C -0.735 174.989 175.800 -0.127 0.000 1.126 127 F CA -1.623 56.285 58.000 -0.152 0.000 0.950 127 F CB 1.267 40.154 39.000 -0.188 0.000 1.360 127 F HN 0.307 nan 8.300 nan 0.000 0.469 128 N N 0.247 118.860 118.700 -0.146 0.000 2.509 128 N HA 0.597 5.351 4.740 0.024 0.000 0.287 128 N C -1.779 173.589 175.510 -0.237 0.000 1.121 128 N CA -0.350 52.560 53.050 -0.233 0.000 0.977 128 N CB 1.798 40.211 38.487 -0.122 0.000 1.167 128 N HN 0.640 nan 8.380 nan 0.000 0.476 129 V N 2.444 122.190 119.914 -0.280 0.000 2.531 129 V HA 0.285 4.419 4.120 0.024 0.000 0.301 129 V C -0.667 175.311 176.094 -0.193 0.000 1.034 129 V CA -0.983 61.171 62.300 -0.244 0.000 0.865 129 V CB 1.667 33.390 31.823 -0.166 0.000 0.995 129 V HN 0.706 nan 8.190 nan 0.000 0.424 130 D N 2.720 122.969 120.400 -0.251 0.000 2.341 130 D HA 0.097 4.751 4.640 0.024 0.000 0.245 130 D C 1.022 177.337 176.300 0.025 0.000 1.106 130 D CA -0.092 53.847 54.000 -0.101 0.000 0.905 130 D CB 1.827 42.584 40.800 -0.073 0.000 1.202 130 D HN 0.727 nan 8.370 nan 0.000 0.426 131 E N 1.142 121.362 120.200 0.035 0.000 2.160 131 E HA -0.194 4.170 4.350 0.024 0.000 0.195 131 E C 1.576 178.244 176.600 0.113 0.000 0.991 131 E CA 1.512 57.951 56.400 0.065 0.000 0.810 131 E CB -0.107 29.615 29.700 0.036 0.000 0.742 131 E HN 0.398 nan 8.360 nan 0.000 0.466 132 S N -1.037 114.742 115.700 0.132 0.000 2.419 132 S HA -0.165 4.319 4.470 0.024 0.000 0.235 132 S C 1.626 176.297 174.600 0.118 0.000 1.019 132 S CA 0.988 59.259 58.200 0.119 0.000 0.982 132 S CB -0.763 62.510 63.200 0.121 0.000 0.789 132 S HN 0.418 nan 8.310 nan 0.000 0.490 133 W N 1.263 122.498 121.300 -0.108 0.000 2.770 133 W HA 0.460 5.134 4.660 0.024 0.000 0.256 133 W C 1.799 178.395 176.519 0.129 0.000 1.291 133 W CA -0.312 56.962 57.345 -0.117 0.000 1.396 133 W CB -0.237 29.230 29.460 0.011 0.000 1.114 133 W HN 0.291 nan 8.180 nan 0.000 0.637 134 L N -0.279 121.121 121.223 0.296 0.000 2.470 134 L HA -0.005 4.349 4.340 0.024 0.000 0.219 134 L C 2.572 179.530 176.870 0.147 0.000 1.071 134 L CA 0.532 55.501 54.840 0.214 0.000 0.850 134 L CB -0.748 41.403 42.059 0.153 0.000 1.040 134 L HN -0.019 nan 8.230 nan 0.000 0.475 135 Q N 2.094 121.964 119.800 0.117 0.000 2.291 135 Q HA -0.107 4.247 4.340 0.024 0.000 0.205 135 Q C 0.057 176.105 176.000 0.080 0.000 0.970 135 Q CA 0.885 56.735 55.803 0.079 0.000 0.876 135 Q CB -0.050 28.721 28.738 0.056 0.000 0.935 135 Q HN 0.671 nan 8.270 nan 0.000 0.455 136 E N -1.657 118.611 120.200 0.114 0.000 2.423 136 E HA 0.583 4.948 4.350 0.024 0.000 0.280 136 E C -0.304 176.415 176.600 0.197 0.000 1.030 136 E CA -0.814 55.651 56.400 0.110 0.000 0.812 136 E CB 1.309 31.057 29.700 0.079 0.000 1.313 136 E HN 0.180 nan 8.360 nan 0.000 0.456 137 G N 0.592 109.449 108.800 0.095 0.000 2.741 137 G HA2 -0.218 3.757 3.960 0.024 0.000 0.222 137 G HA3 -0.218 3.757 3.960 0.024 0.000 0.222 137 G C -0.926 173.903 174.900 -0.118 0.000 1.364 137 G CA -0.035 45.038 45.100 -0.045 0.000 0.866 137 G HN 0.761 nan 8.290 nan 0.000 0.555 138 Q N -0.563 119.001 119.800 -0.393 0.000 2.340 138 Q HA 0.644 4.998 4.340 0.024 0.000 0.268 138 Q C -0.850 175.009 176.000 -0.234 0.000 1.031 138 Q CA -0.516 55.166 55.803 -0.203 0.000 0.804 138 Q CB 1.520 30.162 28.738 -0.160 0.000 1.286 138 Q HN 0.616 nan 8.270 nan 0.000 0.448 139 T N 5.032 119.619 114.554 0.055 0.000 2.756 139 T HA 0.457 4.822 4.350 0.024 0.000 0.290 139 T C -0.618 174.207 174.700 0.210 0.000 0.985 139 T CA -0.602 61.640 62.100 0.236 0.000 0.955 139 T CB 0.427 69.568 68.868 0.455 0.000 0.930 139 T HN 0.624 nan 8.240 nan 0.000 0.451 140 R N 2.896 123.508 120.500 0.186 0.000 2.832 140 R HA 0.782 5.136 4.340 0.024 0.000 0.271 140 R C -1.066 175.337 176.300 0.173 0.000 0.996 140 R CA -0.993 55.210 56.100 0.172 0.000 0.977 140 R CB 1.527 31.899 30.300 0.121 0.000 1.168 140 R HN 0.550 nan 8.270 nan 0.000 0.482 141 I N 2.257 122.928 120.570 0.168 0.000 2.460 141 I HA 0.445 4.629 4.170 0.024 0.000 0.298 141 I C -1.069 175.087 176.117 0.065 0.000 0.989 141 I CA -1.291 60.050 61.300 0.069 0.000 1.173 141 I CB 1.393 39.423 38.000 0.051 0.000 1.338 141 I HN 0.619 nan 8.210 nan 0.000 0.456 142 I N 7.261 127.767 120.570 -0.106 0.000 2.410 142 I HA 0.290 4.475 4.170 0.024 0.000 0.286 142 I C -1.302 174.666 176.117 -0.248 0.000 1.009 142 I CA -0.360 60.894 61.300 -0.076 0.000 1.111 142 I CB 1.390 39.359 38.000 -0.051 0.000 1.262 142 I HN 0.378 nan 8.210 nan 0.000 0.443 143 F N 4.532 124.468 119.950 -0.023 0.000 2.332 143 F HA 0.280 4.821 4.527 0.023 0.000 0.368 143 F C 1.270 176.951 175.800 -0.197 0.000 1.110 143 F CA -0.468 57.442 58.000 -0.150 0.000 1.087 143 F CB 0.824 39.679 39.000 -0.241 0.000 1.235 143 F HN 0.448 nan 8.300 nan 0.000 0.470 144 D N 2.299 122.610 120.400 -0.148 0.000 2.219 144 D HA 0.048 4.703 4.640 0.024 0.000 0.205 144 D C 1.019 177.139 176.300 -0.300 0.000 0.970 144 D CA 0.884 54.748 54.000 -0.227 0.000 0.851 144 D CB 0.387 40.990 40.800 -0.328 0.000 0.943 144 D HN 0.614 nan 8.370 nan 0.000 0.488 145 G N -0.338 108.212 108.800 -0.416 0.000 2.608 145 G HA2 0.458 4.432 3.960 0.024 0.000 0.285 145 G HA3 0.458 4.432 3.960 0.024 0.000 0.285 145 G C -1.421 173.200 174.900 -0.465 0.000 1.407 145 G CA -0.360 44.353 45.100 -0.645 0.000 1.276 145 G HN -0.064 nan 8.290 nan 0.000 0.587 146 V N 2.716 122.576 119.914 -0.091 0.000 2.482 146 V HA 0.470 4.604 4.120 0.024 0.000 0.295 146 V C -0.823 175.363 176.094 0.154 0.000 1.026 146 V CA -1.160 61.101 62.300 -0.064 0.000 0.856 146 V CB 1.817 33.353 31.823 -0.478 0.000 1.001 146 V HN 0.681 nan 8.190 nan 0.000 0.424 147 N N 2.637 121.425 118.700 0.146 0.000 2.476 147 N HA 0.321 5.075 4.740 0.024 0.000 0.257 147 N C 0.650 176.104 175.510 -0.094 0.000 0.970 147 N CA 0.210 53.253 53.050 -0.012 0.000 0.938 147 N CB 2.103 40.418 38.487 -0.287 0.000 1.144 147 N HN 0.674 nan 8.380 nan 0.000 0.500 148 S N 1.909 117.596 115.700 -0.021 0.000 2.520 148 S HA 0.556 5.040 4.470 0.024 0.000 0.219 148 S C 0.358 175.030 174.600 0.119 0.000 1.028 148 S CA 0.042 58.277 58.200 0.059 0.000 0.921 148 S CB 0.398 63.647 63.200 0.082 0.000 0.844 148 S HN 0.600 nan 8.310 nan 0.000 0.495 149 A N 0.875 123.777 122.820 0.136 0.000 2.594 149 A HA 0.786 5.120 4.320 0.024 0.000 0.295 149 A C -1.269 176.405 177.584 0.149 0.000 1.071 149 A CA -0.993 51.082 52.037 0.064 0.000 0.685 149 A CB 0.954 20.026 19.000 0.121 0.000 1.285 149 A HN 1.040 nan 8.150 nan 0.000 0.405 150 F N -0.561 119.211 119.950 -0.296 0.000 2.693 150 F HA 0.743 5.284 4.527 0.023 0.000 0.309 150 F C -1.052 174.632 175.800 -0.193 0.000 1.129 150 F CA -0.802 57.110 58.000 -0.147 0.000 0.948 150 F CB 1.208 40.110 39.000 -0.164 0.000 1.315 150 F HN 0.608 nan 8.300 nan 0.000 0.447 151 H N 1.916 121.103 119.070 0.195 0.000 2.492 151 H HA 0.691 5.262 4.556 0.024 0.000 0.345 151 H C -1.463 173.791 175.328 -0.123 0.000 1.136 151 H CA -0.745 55.289 56.048 -0.022 0.000 1.202 151 H CB 2.551 32.279 29.762 -0.058 0.000 1.524 151 H HN 0.748 nan 8.280 nan 0.000 0.506 152 L N 3.153 124.113 121.223 -0.439 0.000 2.385 152 L HA 0.397 4.752 4.340 0.024 0.000 0.273 152 L C -1.569 174.941 176.870 -0.600 0.000 0.990 152 L CA -0.504 54.134 54.840 -0.336 0.000 0.821 152 L CB 1.331 43.070 42.059 -0.532 0.000 1.279 152 L HN 0.521 nan 8.230 nan 0.000 0.412 153 W N 4.268 125.526 121.300 -0.070 0.000 2.864 153 W HA 0.596 5.270 4.660 0.024 0.000 0.343 153 W C -1.148 175.307 176.519 -0.108 0.000 1.109 153 W CA -0.808 56.482 57.345 -0.092 0.000 1.192 153 W CB 2.069 31.513 29.460 -0.026 0.000 1.426 153 W HN 0.554 nan 8.180 nan 0.000 0.529 154 C N 4.612 123.983 119.300 0.118 0.000 2.381 154 C HA 0.278 4.753 4.460 0.024 0.000 0.328 154 C C 0.201 175.316 174.990 0.207 0.000 1.190 154 C CA -0.367 58.725 59.018 0.123 0.000 1.369 154 C CB -0.794 26.966 27.740 0.033 0.000 2.029 154 C HN 0.807 nan 8.230 nan 0.000 0.448 155 N N 3.652 122.431 118.700 0.131 0.000 2.735 155 N HA -0.189 4.566 4.740 0.024 0.000 0.248 155 N C 0.970 176.544 175.510 0.108 0.000 1.083 155 N CA 1.933 55.037 53.050 0.090 0.000 0.703 155 N CB -1.354 37.186 38.487 0.088 0.000 1.005 155 N HN 1.807 nan 8.380 nan 0.000 0.550 156 G N -1.094 107.766 108.800 0.099 0.000 2.234 156 G HA2 -0.372 3.602 3.960 0.024 0.000 0.260 156 G HA3 -0.372 3.602 3.960 0.024 0.000 0.260 156 G C 0.157 175.231 174.900 0.290 0.000 0.987 156 G CA 0.660 45.818 45.100 0.096 0.000 0.625 156 G HN 0.547 nan 8.290 nan 0.000 0.532 157 R N -0.856 119.872 120.500 0.379 0.000 2.407 157 R HA 0.430 4.784 4.340 0.024 0.000 0.303 157 R C -0.157 176.447 176.300 0.506 0.000 0.981 157 R CA -0.864 55.526 56.100 0.485 0.000 0.905 157 R CB 0.948 31.561 30.300 0.521 0.000 1.099 157 R HN 0.235 nan 8.270 nan 0.000 0.459 158 W N 3.595 125.038 121.300 0.240 0.000 2.210 158 W HA 0.058 4.732 4.660 0.023 0.000 0.330 158 W C 0.121 176.490 176.519 -0.250 0.000 1.334 158 W CA 0.051 57.241 57.345 -0.258 0.000 1.227 158 W CB 0.679 29.991 29.460 -0.248 0.000 1.178 158 W HN 0.325 nan 8.180 nan 0.000 0.560 159 V N 5.130 124.257 119.914 -1.313 0.000 2.627 159 V HA 0.525 4.659 4.120 0.024 0.000 0.239 159 V C 1.065 176.136 176.094 -1.705 0.000 1.077 159 V CA 1.100 62.593 62.300 -1.345 0.000 1.103 159 V CB -0.416 30.693 31.823 -1.191 0.000 0.802 159 V HN 0.837 nan 8.190 nan 0.000 0.482 160 G N -1.806 105.734 108.800 -2.100 0.000 2.341 160 G HA2 0.453 4.428 3.960 0.024 0.000 0.299 160 G HA3 0.453 4.428 3.960 0.024 0.000 0.299 160 G C -2.416 172.033 174.900 -0.752 0.000 1.274 160 G CA -0.218 44.039 45.100 -1.405 0.000 0.853 160 G HN 0.018 nan 8.290 nan 0.000 0.493 161 Y N -0.519 119.518 120.300 -0.438 0.000 2.562 161 Y HA 0.719 5.284 4.550 0.024 0.000 0.345 161 Y C -0.108 175.550 175.900 -0.405 0.000 1.045 161 Y CA -0.119 57.675 58.100 -0.512 0.000 1.028 161 Y CB 2.244 40.585 38.460 -0.197 0.000 1.297 161 Y HN 1.296 nan 8.280 nan 0.000 0.463 162 G N 3.509 111.380 108.800 -1.549 0.000 2.733 162 G HA2 0.573 4.548 3.960 0.024 0.000 0.297 162 G HA3 0.573 4.548 3.960 0.024 0.000 0.297 162 G C -2.148 172.254 174.900 -0.830 0.000 1.422 162 G CA -0.892 43.658 45.100 -0.917 0.000 0.942 162 G HN 0.623 nan 8.290 nan 0.000 0.510 163 Q N -0.078 119.507 119.800 -0.357 0.000 2.552 163 Q HA 0.624 4.978 4.340 0.024 0.000 0.289 163 Q C -1.282 174.717 176.000 -0.002 0.000 1.097 163 Q CA -0.877 54.852 55.803 -0.123 0.000 0.812 163 Q CB 2.589 31.316 28.738 -0.017 0.000 1.460 163 Q HN 0.627 nan 8.270 nan 0.000 0.452 164 D N -0.190 120.247 120.400 0.063 0.000 4.303 164 D HA -0.095 4.559 4.640 0.024 0.000 0.230 164 D C -0.574 175.791 176.300 0.109 0.000 1.172 164 D CA 0.376 54.429 54.000 0.088 0.000 1.001 164 D CB -0.593 40.242 40.800 0.058 0.000 0.641 164 D HN 0.546 nan 8.370 nan 0.000 0.296 165 S N 3.291 119.071 115.700 0.133 0.000 2.555 165 S HA -0.042 4.443 4.470 0.024 0.000 0.230 165 S C 1.548 176.274 174.600 0.209 0.000 0.978 165 S CA 0.445 58.753 58.200 0.180 0.000 0.934 165 S CB 0.277 63.561 63.200 0.141 0.000 0.766 165 S HN 0.452 nan 8.310 nan 0.000 0.533 166 R N 0.213 120.798 120.500 0.142 0.000 2.508 166 R HA 0.425 4.779 4.340 0.024 0.000 0.300 166 R C -0.363 175.987 176.300 0.084 0.000 0.970 166 R CA 0.061 56.241 56.100 0.132 0.000 1.102 166 R CB 0.184 30.584 30.300 0.166 0.000 1.246 166 R HN 0.328 nan 8.270 nan 0.000 0.539 167 L N 1.762 123.009 121.223 0.040 0.000 2.371 167 L HA 0.499 4.853 4.340 0.024 0.000 0.262 167 L C -2.360 174.484 176.870 -0.043 0.000 1.006 167 L CA -2.305 52.530 54.840 -0.009 0.000 0.818 167 L CB 2.928 44.977 42.059 -0.017 0.000 1.354 167 L HN -0.205 nan 8.230 nan 0.000 0.415 168 P HA 0.096 nan 4.420 nan 0.000 0.271 168 P C -0.976 176.285 177.300 -0.064 0.000 1.216 168 P CA -0.177 62.872 63.100 -0.085 0.000 0.771 168 P CB 1.151 32.763 31.700 -0.146 0.000 0.864 169 S N 2.051 117.778 115.700 0.045 0.000 2.478 169 S HA 0.329 4.813 4.470 0.024 0.000 0.312 169 S C -0.406 174.185 174.600 -0.015 0.000 1.094 169 S CA -0.586 57.617 58.200 0.004 0.000 1.081 169 S CB 0.974 64.329 63.200 0.258 0.000 1.007 169 S HN 0.382 nan 8.310 nan 0.000 0.475 170 E N 1.891 121.861 120.200 -0.383 0.000 2.238 170 E HA 0.595 4.960 4.350 0.024 0.000 0.267 170 E C -1.446 174.729 176.600 -0.709 0.000 0.887 170 E CA -0.580 55.655 56.400 -0.276 0.000 0.769 170 E CB 1.717 31.351 29.700 -0.109 0.000 1.187 170 E HN 0.418 nan 8.360 nan 0.000 0.416 171 F N 0.471 120.476 119.950 0.093 0.000 2.578 171 F HA 0.202 4.743 4.527 0.024 0.000 0.311 171 F C -0.051 175.781 175.800 0.053 0.000 1.094 171 F CA -1.125 56.896 58.000 0.035 0.000 0.923 171 F CB 1.551 40.538 39.000 -0.021 0.000 1.230 171 F HN 0.270 nan 8.300 nan 0.000 0.450 172 D N 2.703 123.241 120.400 0.230 0.000 2.339 172 D HA 0.233 4.887 4.640 0.024 0.000 0.256 172 D C 0.269 176.725 176.300 0.259 0.000 1.214 172 D CA 0.333 54.452 54.000 0.199 0.000 0.877 172 D CB 0.975 41.870 40.800 0.159 0.000 1.111 172 D HN 0.577 nan 8.370 nan 0.000 0.478 173 L N 2.739 124.123 121.223 0.267 0.000 2.693 173 L HA 0.039 4.393 4.340 0.024 0.000 0.235 173 L C 2.147 179.255 176.870 0.396 0.000 1.127 173 L CA -0.202 54.850 54.840 0.353 0.000 0.914 173 L CB 0.094 42.313 42.059 0.266 0.000 1.193 173 L HN 0.267 nan 8.230 nan 0.000 0.502 174 S N 1.491 117.363 115.700 0.287 0.000 2.378 174 S HA -0.307 4.177 4.470 0.024 0.000 0.229 174 S C 2.099 176.794 174.600 0.159 0.000 1.052 174 S CA 1.974 60.298 58.200 0.207 0.000 1.084 174 S CB -0.213 63.069 63.200 0.137 0.000 0.950 174 S HN 0.568 nan 8.310 nan 0.000 0.440 175 A N -0.445 122.438 122.820 0.105 0.000 2.206 175 A HA 0.229 4.563 4.320 0.024 0.000 0.211 175 A C 1.459 178.886 177.584 -0.262 0.000 1.158 175 A CA 0.619 52.592 52.037 -0.107 0.000 0.761 175 A CB -0.489 18.361 19.000 -0.250 0.000 0.801 175 A HN 0.494 nan 8.150 nan 0.000 0.473 176 F N -0.718 119.273 119.950 0.068 0.000 2.717 176 F HA 0.352 4.893 4.527 0.024 0.000 0.295 176 F C 0.613 176.446 175.800 0.057 0.000 1.117 176 F CA -0.092 57.946 58.000 0.065 0.000 1.361 176 F CB 0.060 39.105 39.000 0.074 0.000 1.112 176 F HN -0.034 nan 8.300 nan 0.000 0.594 177 L N 0.976 122.332 121.223 0.222 0.000 2.375 177 L HA 0.542 4.896 4.340 0.024 0.000 0.268 177 L C 0.156 177.059 176.870 0.056 0.000 1.058 177 L CA -0.828 54.089 54.840 0.128 0.000 0.803 177 L CB 1.200 43.343 42.059 0.140 0.000 1.212 177 L HN -0.009 nan 8.230 nan 0.000 0.451 178 R N 1.087 121.585 120.500 -0.003 0.000 2.837 178 R HA 0.826 5.181 4.340 0.024 0.000 0.271 178 R C -1.060 175.211 176.300 -0.047 0.000 0.993 178 R CA -0.897 55.193 56.100 -0.016 0.000 0.931 178 R CB 1.594 31.876 30.300 -0.030 0.000 1.206 178 R HN 0.576 nan 8.270 nan 0.000 0.474 179 A N 1.258 124.059 122.820 -0.031 0.000 2.498 179 A HA 0.503 4.837 4.320 0.024 0.000 0.239 179 A C 1.007 178.541 177.584 -0.083 0.000 1.068 179 A CA 1.062 53.071 52.037 -0.047 0.000 0.766 179 A CB -0.601 18.386 19.000 -0.021 0.000 1.003 179 A HN 1.383 nan 8.150 nan 0.000 0.497 180 G N 1.310 110.042 108.800 -0.113 0.000 2.475 180 G HA2 -0.076 3.898 3.960 0.024 0.000 0.223 180 G HA3 -0.076 3.898 3.960 0.024 0.000 0.223 180 G C -0.474 174.299 174.900 -0.211 0.000 1.201 180 G CA -0.142 44.879 45.100 -0.132 0.000 0.962 180 G HN 0.894 nan 8.290 nan 0.000 0.586 181 E N 2.052 122.135 120.200 -0.194 0.000 2.360 181 E HA 0.410 4.774 4.350 0.024 0.000 0.269 181 E C 0.329 176.737 176.600 -0.320 0.000 1.022 181 E CA 0.051 56.300 56.400 -0.252 0.000 0.887 181 E CB 0.586 30.191 29.700 -0.159 0.000 0.990 181 E HN 0.489 nan 8.360 nan 0.000 0.426 182 N N 1.947 120.328 118.700 -0.532 0.000 2.455 182 N HA 0.410 5.164 4.740 0.024 0.000 0.278 182 N C -0.755 174.541 175.510 -0.358 0.000 1.291 182 N CA -0.682 52.067 53.050 -0.502 0.000 0.780 182 N CB 2.699 40.719 38.487 -0.779 0.000 1.520 182 N HN 0.191 nan 8.380 nan 0.000 0.486 183 R N 1.209 121.646 120.500 -0.104 0.000 2.575 183 R HA 0.527 4.881 4.340 0.024 0.000 0.293 183 R C -1.320 175.055 176.300 0.126 0.000 0.983 183 R CA -0.469 55.651 56.100 0.033 0.000 0.887 183 R CB 1.176 31.447 30.300 -0.048 0.000 1.184 183 R HN 0.478 nan 8.270 nan 0.000 0.445 184 L N 2.776 124.101 121.223 0.171 0.000 2.331 184 L HA 0.784 5.138 4.340 0.024 0.000 0.275 184 L C -0.376 176.535 176.870 0.068 0.000 1.022 184 L CA -0.933 53.994 54.840 0.144 0.000 0.812 184 L CB 2.027 44.153 42.059 0.112 0.000 1.257 184 L HN 0.741 nan 8.230 nan 0.000 0.435 185 A N 2.560 125.447 122.820 0.112 0.000 2.359 185 A HA 0.773 5.107 4.320 0.024 0.000 0.303 185 A C -1.124 176.763 177.584 0.506 0.000 1.066 185 A CA -0.468 51.574 52.037 0.008 0.000 0.730 185 A CB 1.604 20.025 19.000 -0.965 0.000 1.211 185 A HN 0.363 nan 8.150 nan 0.000 0.439 186 V N 3.191 123.567 119.914 0.770 0.000 2.407 186 V HA 0.491 4.625 4.120 0.024 0.000 0.291 186 V C -0.112 176.502 176.094 0.868 0.000 1.018 186 V CA -0.294 62.449 62.300 0.737 0.000 0.842 186 V CB 1.458 33.541 31.823 0.432 0.000 0.996 186 V HN 0.963 nan 8.190 nan 0.000 0.426 187 M N 6.016 126.142 119.600 0.876 0.000 2.066 187 M HA 0.580 5.074 4.480 0.024 0.000 0.340 187 M C -1.474 175.084 176.300 0.430 0.000 1.053 187 M CA -0.395 55.240 55.300 0.559 0.000 0.983 187 M CB 1.188 34.148 32.600 0.600 0.000 1.520 187 M HN 0.479 nan 8.290 nan 0.000 0.428 188 V N 6.814 126.941 119.914 0.355 0.000 2.370 188 V HA 0.389 4.523 4.120 0.024 0.000 0.279 188 V C -0.061 176.195 176.094 0.270 0.000 1.029 188 V CA -0.662 61.857 62.300 0.365 0.000 0.870 188 V CB 1.346 33.500 31.823 0.551 0.000 0.984 188 V HN 0.810 nan 8.190 nan 0.000 0.451 189 L N 4.937 126.249 121.223 0.149 0.000 2.292 189 L HA 0.506 4.860 4.340 0.024 0.000 0.284 189 L C 1.559 178.454 176.870 0.041 0.000 1.065 189 L CA -0.365 54.485 54.840 0.018 0.000 0.806 189 L CB 1.288 43.256 42.059 -0.152 0.000 1.175 189 L HN 0.656 nan 8.230 nan 0.000 0.431 190 R N 2.716 123.185 120.500 -0.051 0.000 2.092 190 R HA -0.037 4.317 4.340 0.024 0.000 0.231 190 R C -0.428 175.580 176.300 -0.487 0.000 1.119 190 R CA 1.122 56.958 56.100 -0.439 0.000 0.970 190 R CB 0.263 30.139 30.300 -0.707 0.000 0.864 190 R HN 0.568 nan 8.270 nan 0.000 0.440 191 W N 0.049 121.414 121.300 0.108 0.000 2.689 191 W HA 0.440 5.114 4.660 0.023 0.000 0.340 191 W C -0.443 176.190 176.519 0.191 0.000 1.060 191 W CA -0.827 56.589 57.345 0.118 0.000 1.218 191 W CB 1.821 31.352 29.460 0.118 0.000 1.410 191 W HN -0.027 nan 8.180 nan 0.000 0.528 192 S N -1.173 114.816 115.700 0.481 0.000 2.643 192 S HA 0.205 4.689 4.470 0.024 0.000 0.270 192 S C 0.060 174.909 174.600 0.414 0.000 1.166 192 S CA -0.458 58.033 58.200 0.484 0.000 0.815 192 S CB 1.182 64.638 63.200 0.428 0.000 1.139 192 S HN 0.642 nan 8.310 nan 0.000 0.472 193 D N 0.522 121.171 120.400 0.415 0.000 2.265 193 D HA 0.044 4.698 4.640 0.024 0.000 0.208 193 D C 1.774 178.384 176.300 0.516 0.000 0.977 193 D CA 1.263 55.557 54.000 0.491 0.000 0.871 193 D CB -0.703 40.271 40.800 0.289 0.000 0.925 193 D HN 0.720 nan 8.370 nan 0.000 0.485 194 G N 0.093 109.117 108.800 0.373 0.000 2.448 194 G HA2 -0.269 3.705 3.960 0.024 0.000 0.219 194 G HA3 -0.269 3.705 3.960 0.024 0.000 0.219 194 G C 1.700 176.788 174.900 0.312 0.000 1.127 194 G CA 0.744 46.039 45.100 0.326 0.000 0.766 194 G HN 0.320 nan 8.290 nan 0.000 0.552 195 S N -0.108 115.759 115.700 0.278 0.000 2.419 195 S HA -0.111 4.373 4.470 0.024 0.000 0.233 195 S C 1.892 176.602 174.600 0.183 0.000 1.016 195 S CA 0.740 59.073 58.200 0.221 0.000 0.974 195 S CB -0.412 62.911 63.200 0.205 0.000 0.786 195 S HN 0.561 nan 8.310 nan 0.000 0.492 196 Y N 1.137 121.568 120.300 0.218 0.000 2.403 196 Y HA 0.062 4.626 4.550 0.024 0.000 0.291 196 Y C 1.608 177.633 175.900 0.210 0.000 1.143 196 Y CA 0.648 58.807 58.100 0.099 0.000 1.257 196 Y CB -0.168 38.200 38.460 -0.153 0.000 0.984 196 Y HN 0.201 nan 8.280 nan 0.000 0.550 197 L N -0.409 121.019 121.223 0.341 0.000 2.667 197 L HA 0.123 4.477 4.340 0.024 0.000 0.232 197 L C 0.082 177.101 176.870 0.247 0.000 1.138 197 L CA 0.365 55.363 54.840 0.263 0.000 0.921 197 L CB 0.109 42.326 42.059 0.263 0.000 1.180 197 L HN 0.132 nan 8.230 nan 0.000 0.487 198 E N 0.009 120.366 120.200 0.262 0.000 3.388 198 E HA 0.035 4.399 4.350 0.024 0.000 0.214 198 E C -0.409 176.306 176.600 0.191 0.000 1.040 198 E CA -0.082 56.456 56.400 0.231 0.000 1.327 198 E CB 0.430 30.257 29.700 0.212 0.000 1.243 198 E HN 0.042 nan 8.360 nan 0.000 0.444 199 D N 1.100 121.572 120.400 0.120 0.000 2.561 199 D HA 0.022 4.677 4.640 0.024 0.000 0.232 199 D C -0.208 176.096 176.300 0.007 0.000 1.198 199 D CA -0.130 53.832 54.000 -0.064 0.000 0.826 199 D CB 0.145 40.657 40.800 -0.479 0.000 0.992 199 D HN 0.051 nan 8.370 nan 0.000 0.490 200 Q N 0.475 120.372 119.800 0.161 0.000 2.395 200 Q HA 0.100 4.454 4.340 0.024 0.000 0.271 200 Q C -0.110 176.016 176.000 0.210 0.000 1.026 200 Q CA 0.125 56.089 55.803 0.268 0.000 0.900 200 Q CB 0.553 29.599 28.738 0.514 0.000 1.266 200 Q HN 0.066 nan 8.270 nan 0.000 0.430 201 D N 3.134 123.680 120.400 0.243 0.000 2.441 201 D HA 0.167 4.821 4.640 0.024 0.000 0.243 201 D C -0.724 175.721 176.300 0.242 0.000 1.257 201 D CA 0.197 54.323 54.000 0.209 0.000 1.027 201 D CB -0.414 40.512 40.800 0.212 0.000 1.084 201 D HN 0.491 nan 8.370 nan 0.000 0.514 202 M N 0.521 120.234 119.600 0.188 0.000 3.069 202 M HA 0.341 4.835 4.480 0.024 0.000 0.274 202 M C -1.342 175.035 176.300 0.128 0.000 1.146 202 M CA -1.165 54.170 55.300 0.058 0.000 0.807 202 M CB 0.889 33.464 32.600 -0.043 0.000 1.621 202 M HN -0.074 nan 8.290 nan 0.000 0.521 203 W N 2.095 123.482 121.300 0.144 0.000 2.257 203 W HA 0.296 4.970 4.660 0.024 0.000 0.337 203 W C 0.255 176.795 176.519 0.034 0.000 1.321 203 W CA 0.000 57.416 57.345 0.117 0.000 1.267 203 W CB 0.292 29.763 29.460 0.019 0.000 1.187 203 W HN 0.276 nan 8.180 nan 0.000 0.565 204 R N 4.854 125.528 120.500 0.290 0.000 2.198 204 R HA 0.435 4.789 4.340 0.024 0.000 0.339 204 R C -0.104 176.206 176.300 0.018 0.000 1.020 204 R CA -0.310 55.879 56.100 0.149 0.000 0.864 204 R CB 0.267 30.720 30.300 0.254 0.000 1.105 204 R HN 0.540 nan 8.270 nan 0.000 0.463 205 M N 0.355 119.852 119.600 -0.171 0.000 2.821 205 M HA 0.538 5.032 4.480 0.024 0.000 0.294 205 M C -0.004 175.943 176.300 -0.589 0.000 1.195 205 M CA -0.828 54.242 55.300 -0.383 0.000 0.784 205 M CB 2.369 34.744 32.600 -0.374 0.000 1.755 205 M HN 0.641 nan 8.290 nan 0.000 0.477 206 S N -1.156 114.054 115.700 -0.816 0.000 2.615 206 S HA 0.972 5.457 4.470 0.024 0.000 0.269 206 S C -0.556 173.530 174.600 -0.856 0.000 1.161 206 S CA -0.193 57.453 58.200 -0.924 0.000 0.817 206 S CB 1.919 64.376 63.200 -1.237 0.000 1.131 206 S HN 1.414 nan 8.310 nan 0.000 0.467 207 G N -0.114 108.430 108.800 -0.427 0.000 2.331 207 G HA2 0.174 4.148 3.960 0.024 0.000 0.402 207 G HA3 0.174 4.148 3.960 0.024 0.000 0.402 207 G C -1.507 173.413 174.900 0.033 0.000 1.275 207 G CA -0.635 44.525 45.100 0.099 0.000 1.003 207 G HN 1.100 nan 8.290 nan 0.000 0.500 208 I N 2.084 122.522 120.570 -0.220 0.000 2.276 208 I HA 0.288 4.472 4.170 0.024 0.000 0.290 208 I C 1.101 177.078 176.117 -0.233 0.000 1.109 208 I CA -0.235 60.819 61.300 -0.410 0.000 1.229 208 I CB -0.138 37.321 38.000 -0.903 0.000 1.452 208 I HN 0.517 nan 8.210 nan 0.000 0.497 209 F N 4.290 124.078 119.950 -0.269 0.000 2.695 209 F HA 0.462 5.003 4.527 0.023 0.000 0.303 209 F C 0.721 176.426 175.800 -0.158 0.000 1.091 209 F CA -0.525 57.349 58.000 -0.210 0.000 1.300 209 F CB 0.130 39.013 39.000 -0.195 0.000 1.071 209 F HN 0.133 nan 8.300 nan 0.000 0.578 210 R N 0.460 120.517 120.500 -0.738 0.000 2.950 210 R HA 0.261 4.616 4.340 0.024 0.000 0.253 210 R C -0.862 175.213 176.300 -0.375 0.000 1.168 210 R CA -1.186 54.582 56.100 -0.553 0.000 1.014 210 R CB 0.676 30.552 30.300 -0.708 0.000 1.228 210 R HN -0.032 nan 8.270 nan 0.000 0.487 211 D N 0.630 120.858 120.400 -0.287 0.000 2.419 211 D HA 0.138 4.792 4.640 0.024 0.000 0.236 211 D C -0.524 175.624 176.300 -0.253 0.000 1.165 211 D CA 0.307 54.178 54.000 -0.215 0.000 0.882 211 D CB 0.560 41.284 40.800 -0.127 0.000 1.201 211 D HN 0.001 nan 8.370 nan 0.000 0.443 212 V N 0.826 120.599 119.914 -0.235 0.000 2.487 212 V HA 0.612 4.746 4.120 0.024 0.000 0.298 212 V C -0.032 175.930 176.094 -0.219 0.000 1.028 212 V CA -0.637 61.465 62.300 -0.332 0.000 0.860 212 V CB 1.448 33.057 31.823 -0.358 0.000 0.991 212 V HN 0.759 nan 8.190 nan 0.000 0.427 213 S N 4.740 120.298 115.700 -0.236 0.000 2.618 213 S HA 0.841 5.326 4.470 0.024 0.000 0.277 213 S C -1.314 173.233 174.600 -0.089 0.000 1.138 213 S CA -0.934 57.197 58.200 -0.116 0.000 0.844 213 S CB 1.907 65.075 63.200 -0.053 0.000 1.127 213 S HN 0.468 nan 8.310 nan 0.000 0.474 214 L N 1.576 122.808 121.223 0.014 0.000 2.333 214 L HA 0.679 5.033 4.340 0.024 0.000 0.280 214 L C -1.295 175.782 176.870 0.344 0.000 1.004 214 L CA -0.849 54.088 54.840 0.160 0.000 0.820 214 L CB 1.646 43.808 42.059 0.172 0.000 1.247 214 L HN 0.690 nan 8.230 nan 0.000 0.416 215 L N 3.323 124.729 121.223 0.306 0.000 2.362 215 L HA 0.468 4.822 4.340 0.024 0.000 0.275 215 L C -0.695 176.233 176.870 0.096 0.000 0.998 215 L CA -0.131 54.831 54.840 0.203 0.000 0.820 215 L CB 1.500 43.626 42.059 0.111 0.000 1.270 215 L HN 0.484 nan 8.230 nan 0.000 0.415 216 H N 5.438 124.317 119.070 -0.318 0.000 2.519 216 H HA 0.471 5.041 4.556 0.024 0.000 0.316 216 H C -1.242 173.877 175.328 -0.349 0.000 1.065 216 H CA -0.564 55.149 56.048 -0.558 0.000 1.264 216 H CB 1.038 29.923 29.762 -1.462 0.000 1.413 216 H HN 0.549 nan 8.280 nan 0.000 0.465 217 K N 5.518 125.487 120.400 -0.719 0.000 2.328 217 K HA 0.382 4.717 4.320 0.024 0.000 0.246 217 K C -2.745 173.574 176.600 -0.470 0.000 0.955 217 K CA -2.023 54.011 56.287 -0.421 0.000 0.817 217 K CB 2.175 34.517 32.500 -0.263 0.000 1.208 217 K HN 0.474 nan 8.250 nan 0.000 0.432 218 P HA 0.161 nan 4.420 nan 0.000 0.274 218 P C 0.462 177.686 177.300 -0.126 0.000 1.246 218 P CA -0.206 62.820 63.100 -0.123 0.000 0.795 218 P CB 0.458 32.127 31.700 -0.051 0.000 1.006 219 T N -1.057 113.451 114.554 -0.076 0.000 2.788 219 T HA -0.043 4.322 4.350 0.024 0.000 0.268 219 T C 0.587 175.246 174.700 -0.070 0.000 1.044 219 T CA 1.584 63.644 62.100 -0.066 0.000 1.139 219 T CB -0.596 68.251 68.868 -0.033 0.000 0.867 219 T HN 0.431 nan 8.240 nan 0.000 0.454 220 T N 3.773 118.292 114.554 -0.058 0.000 2.738 220 T HA 0.447 4.811 4.350 0.024 0.000 0.298 220 T C -0.210 174.443 174.700 -0.078 0.000 0.962 220 T CA -0.617 61.440 62.100 -0.072 0.000 0.972 220 T CB 0.591 69.432 68.868 -0.044 0.000 0.928 220 T HN 0.486 nan 8.240 nan 0.000 0.474 221 Q N 2.363 122.099 119.800 -0.106 0.000 2.501 221 Q HA 0.623 4.977 4.340 0.024 0.000 0.288 221 Q C -1.167 174.762 176.000 -0.118 0.000 1.051 221 Q CA -1.190 54.542 55.803 -0.119 0.000 0.788 221 Q CB 1.353 30.001 28.738 -0.150 0.000 1.469 221 Q HN 0.460 nan 8.270 nan 0.000 0.416 222 I N 2.599 123.081 120.570 -0.147 0.000 2.436 222 I HA 0.008 4.192 4.170 0.024 0.000 0.289 222 I C 0.751 176.769 176.117 -0.164 0.000 1.083 222 I CA 0.064 61.295 61.300 -0.114 0.000 1.372 222 I CB 0.962 38.856 38.000 -0.177 0.000 1.408 222 I HN 0.883 nan 8.210 nan 0.000 0.516 223 S N 2.623 118.322 115.700 -0.001 0.000 2.511 223 S HA 0.194 4.678 4.470 0.024 0.000 0.214 223 S C 0.155 174.936 174.600 0.300 0.000 0.997 223 S CA -0.268 57.992 58.200 0.100 0.000 0.908 223 S CB 0.253 63.479 63.200 0.043 0.000 0.803 223 S HN 0.714 nan 8.310 nan 0.000 0.504 224 D N -0.228 120.346 120.400 0.291 0.000 2.683 224 D HA 0.523 5.177 4.640 0.024 0.000 0.246 224 D C -1.883 174.582 176.300 0.276 0.000 1.238 224 D CA -0.711 53.463 54.000 0.290 0.000 0.759 224 D CB 1.584 42.454 40.800 0.117 0.000 1.349 224 D HN 0.208 nan 8.370 nan 0.000 0.426 225 F N -0.624 119.394 119.950 0.113 0.000 2.635 225 F HA 0.595 5.136 4.527 0.024 0.000 0.314 225 F C -1.524 174.355 175.800 0.132 0.000 1.119 225 F CA -0.799 57.208 58.000 0.013 0.000 1.000 225 F CB 1.200 40.236 39.000 0.060 0.000 1.278 225 F HN 0.242 nan 8.300 nan 0.000 0.446 226 H N 1.921 121.061 119.070 0.117 0.000 2.529 226 H HA 0.763 5.333 4.556 0.024 0.000 0.348 226 H C -1.310 174.065 175.328 0.077 0.000 1.079 226 H CA -1.512 54.542 56.048 0.010 0.000 1.198 226 H CB 2.685 32.437 29.762 -0.016 0.000 1.521 226 H HN 0.605 nan 8.280 nan 0.000 0.514 227 V N 2.293 122.307 119.914 0.166 0.000 2.487 227 V HA 0.631 4.765 4.120 0.024 0.000 0.298 227 V C -0.289 175.799 176.094 -0.009 0.000 1.028 227 V CA -0.600 61.749 62.300 0.082 0.000 0.860 227 V CB 1.339 33.205 31.823 0.073 0.000 0.991 227 V HN 0.924 nan 8.190 nan 0.000 0.427 228 A N 3.295 126.089 122.820 -0.043 0.000 2.374 228 A HA 0.953 5.287 4.320 0.024 0.000 0.317 228 A C -0.094 177.388 177.584 -0.170 0.000 1.094 228 A CA -0.501 51.488 52.037 -0.080 0.000 0.765 228 A CB 1.861 20.837 19.000 -0.040 0.000 1.268 228 A HN 0.960 nan 8.150 nan 0.000 0.438 229 T N 0.026 114.457 114.554 -0.204 0.000 2.965 229 T HA 0.692 5.057 4.350 0.024 0.000 0.306 229 T C -0.579 173.888 174.700 -0.388 0.000 0.991 229 T CA -0.733 61.147 62.100 -0.367 0.000 1.001 229 T CB 0.732 69.274 68.868 -0.543 0.000 0.984 229 T HN 0.717 nan 8.240 nan 0.000 0.446 230 R N 2.248 122.462 120.500 -0.477 0.000 2.664 230 R HA 0.831 5.186 4.340 0.024 0.000 0.286 230 R C -1.076 174.838 176.300 -0.643 0.000 0.967 230 R CA -0.745 55.153 56.100 -0.338 0.000 0.933 230 R CB 1.334 31.558 30.300 -0.126 0.000 1.146 230 R HN 0.522 nan 8.270 nan 0.000 0.468 231 F N 0.212 120.149 119.950 -0.023 0.000 2.618 231 F HA 0.390 4.930 4.527 0.021 0.000 0.332 231 F C 0.513 176.184 175.800 -0.216 0.000 1.061 231 F CA -1.096 56.834 58.000 -0.117 0.000 0.974 231 F CB 1.093 39.934 39.000 -0.266 0.000 1.310 231 F HN 0.572 nan 8.300 nan 0.000 0.491 232 N N -0.072 118.617 118.700 -0.017 0.000 2.364 232 N HA 0.052 4.806 4.740 0.024 0.000 0.264 232 N C 0.422 175.789 175.510 -0.238 0.000 1.263 232 N CA -0.193 52.803 53.050 -0.090 0.000 0.959 232 N CB 0.073 38.535 38.487 -0.042 0.000 1.204 232 N HN 0.662 nan 8.380 nan 0.000 0.550 233 D N -1.406 118.899 120.400 -0.158 0.000 2.182 233 D HA -0.233 4.421 4.640 0.024 0.000 0.201 233 D C 0.131 176.336 176.300 -0.158 0.000 0.986 233 D CA 1.510 55.414 54.000 -0.161 0.000 0.847 233 D CB -0.514 40.254 40.800 -0.053 0.000 0.942 233 D HN 0.737 nan 8.370 nan 0.000 0.467 234 D N -1.660 118.693 120.400 -0.079 0.000 2.538 234 D HA 0.050 4.705 4.640 0.024 0.000 0.231 234 D C 0.047 176.486 176.300 0.233 0.000 1.229 234 D CA -1.067 52.991 54.000 0.096 0.000 0.828 234 D CB -1.105 39.758 40.800 0.104 0.000 1.035 234 D HN 0.163 nan 8.370 nan 0.000 0.495 235 F N 0.411 120.412 119.950 0.085 0.000 3.006 235 F HA -0.309 4.232 4.527 0.023 0.000 0.289 235 F C 1.751 177.629 175.800 0.129 0.000 0.772 235 F CA 0.879 58.940 58.000 0.102 0.000 1.162 235 F CB -2.446 36.504 39.000 -0.083 0.000 1.382 235 F HN 0.225 nan 8.300 nan 0.000 0.406 236 S N -0.784 115.023 115.700 0.177 0.000 2.527 236 S HA 0.165 4.649 4.470 0.024 0.000 0.222 236 S C 0.687 175.345 174.600 0.096 0.000 0.985 236 S CA 0.082 58.357 58.200 0.125 0.000 0.921 236 S CB 0.268 63.516 63.200 0.080 0.000 0.772 236 S HN 0.439 nan 8.310 nan 0.000 0.529 237 R N 0.397 120.962 120.500 0.108 0.000 2.673 237 R HA 0.811 5.166 4.340 0.024 0.000 0.281 237 R C -1.316 175.028 176.300 0.073 0.000 0.991 237 R CA -0.476 55.657 56.100 0.055 0.000 0.896 237 R CB 2.091 32.398 30.300 0.011 0.000 1.201 237 R HN 0.209 nan 8.270 nan 0.000 0.457 238 A N 1.619 124.424 122.820 -0.025 0.000 2.515 238 A HA 0.719 5.053 4.320 0.024 0.000 0.296 238 A C -1.204 176.302 177.584 -0.129 0.000 1.094 238 A CA -0.716 51.217 52.037 -0.173 0.000 0.718 238 A CB 2.237 21.100 19.000 -0.227 0.000 1.307 238 A HN 0.343 nan 8.150 nan 0.000 0.408 239 V N 1.738 121.544 119.914 -0.181 0.000 2.444 239 V HA 0.382 4.516 4.120 0.024 0.000 0.294 239 V C -0.466 175.560 176.094 -0.115 0.000 1.022 239 V CA -0.340 61.894 62.300 -0.111 0.000 0.850 239 V CB 1.379 33.141 31.823 -0.101 0.000 0.992 239 V HN 0.781 nan 8.190 nan 0.000 0.426 240 L N 4.817 126.014 121.223 -0.044 0.000 2.260 240 L HA 0.548 4.902 4.340 0.024 0.000 0.289 240 L C 0.079 176.909 176.870 -0.067 0.000 1.057 240 L CA 0.030 54.825 54.840 -0.075 0.000 0.811 240 L CB 0.904 42.952 42.059 -0.017 0.000 1.184 240 L HN 0.735 nan 8.230 nan 0.000 0.429 241 E N 4.031 124.187 120.200 -0.074 0.000 2.158 241 E HA 0.630 4.994 4.350 0.024 0.000 0.271 241 E C -1.222 175.371 176.600 -0.012 0.000 0.911 241 E CA -0.658 55.717 56.400 -0.041 0.000 0.767 241 E CB 1.690 31.367 29.700 -0.038 0.000 1.120 241 E HN 0.682 nan 8.360 nan 0.000 0.405 242 A N 4.583 127.403 122.820 0.000 0.000 2.310 242 A HA 0.289 4.623 4.320 0.024 0.000 0.304 242 A C -0.629 176.970 177.584 0.024 0.000 1.231 242 A CA -0.623 51.438 52.037 0.040 0.000 0.799 242 A CB 0.894 19.918 19.000 0.040 0.000 1.162 242 A HN 0.715 nan 8.150 nan 0.000 0.486 243 E N 2.651 122.870 120.200 0.032 0.000 2.167 243 E HA 0.497 4.861 4.350 0.024 0.000 0.284 243 E C -1.220 175.358 176.600 -0.037 0.000 1.016 243 E CA -0.282 56.098 56.400 -0.035 0.000 0.817 243 E CB 0.964 30.619 29.700 -0.076 0.000 1.080 243 E HN 0.387 nan 8.360 nan 0.000 0.397 244 V N 4.811 124.723 119.914 -0.003 0.000 2.495 244 V HA 0.291 4.426 4.120 0.024 0.000 0.298 244 V C -0.346 175.827 176.094 0.132 0.000 1.031 244 V CA -0.764 61.582 62.300 0.077 0.000 0.871 244 V CB 1.695 33.552 31.823 0.057 0.000 0.988 244 V HN 0.751 nan 8.190 nan 0.000 0.432 245 Q N 3.674 123.543 119.800 0.116 0.000 2.345 245 Q HA 0.829 5.184 4.340 0.024 0.000 0.268 245 Q C -0.746 175.297 176.000 0.072 0.000 1.054 245 Q CA -0.825 55.032 55.803 0.090 0.000 0.835 245 Q CB 2.591 31.320 28.738 -0.015 0.000 1.339 245 Q HN 0.826 nan 8.270 nan 0.000 0.447 246 M N -0.987 118.554 119.600 -0.099 0.000 2.716 246 M HA 0.762 5.256 4.480 0.024 0.000 0.307 246 M C -1.336 174.838 176.300 -0.209 0.000 1.223 246 M CA -0.505 54.654 55.300 -0.234 0.000 0.871 246 M CB 1.597 33.830 32.600 -0.612 0.000 1.739 246 M HN 0.492 nan 8.290 nan 0.000 0.475 247 C N 0.756 119.953 119.300 -0.172 0.000 2.707 247 C HA 1.037 5.511 4.460 0.024 0.000 0.313 247 C C 0.514 175.417 174.990 -0.145 0.000 1.209 247 C CA 0.587 59.528 59.018 -0.128 0.000 1.635 247 C CB 1.070 28.767 27.740 -0.073 0.000 2.206 247 C HN 1.391 nan 8.230 nan 0.000 0.485 248 G N 1.820 110.549 108.800 -0.119 0.000 2.373 248 G HA2 0.087 4.061 3.960 0.024 0.000 0.634 248 G HA3 0.087 4.061 3.960 0.024 0.000 0.634 248 G C -1.105 173.723 174.900 -0.119 0.000 1.267 248 G CA -0.468 44.568 45.100 -0.106 0.000 1.008 248 G HN 0.962 nan 8.290 nan 0.000 0.497 249 E N -0.195 119.945 120.200 -0.101 0.000 2.259 249 E HA 0.477 4.841 4.350 0.024 0.000 0.281 249 E C 0.493 177.000 176.600 -0.156 0.000 1.037 249 E CA -0.613 55.724 56.400 -0.105 0.000 0.854 249 E CB 0.409 30.068 29.700 -0.069 0.000 1.051 249 E HN 0.503 nan 8.360 nan 0.000 0.409 250 L N 4.999 126.123 121.223 -0.165 0.000 2.416 250 L HA 0.301 4.655 4.340 0.024 0.000 0.272 250 L C 0.363 177.111 176.870 -0.203 0.000 1.161 250 L CA -0.088 54.633 54.840 -0.197 0.000 0.845 250 L CB 0.416 42.385 42.059 -0.150 0.000 1.119 250 L HN 0.551 nan 8.230 nan 0.000 0.464 251 R N 1.790 122.121 120.500 -0.281 0.000 2.604 251 R HA 0.169 4.524 4.340 0.024 0.000 0.281 251 R C -0.114 175.956 176.300 -0.384 0.000 1.020 251 R CA -0.762 55.079 56.100 -0.430 0.000 0.899 251 R CB 1.600 31.322 30.300 -0.964 0.000 1.205 251 R HN 0.544 nan 8.270 nan 0.000 0.450 252 D N 1.246 121.496 120.400 -0.250 0.000 2.228 252 D HA -0.182 4.472 4.640 0.024 0.000 0.203 252 D C 1.477 177.731 176.300 -0.076 0.000 0.988 252 D CA 1.712 55.645 54.000 -0.111 0.000 0.864 252 D CB 0.159 40.942 40.800 -0.028 0.000 0.928 252 D HN 0.587 nan 8.370 nan 0.000 0.469 253 Y N 0.149 120.460 120.300 0.019 0.000 2.546 253 Y HA 0.245 4.809 4.550 0.024 0.000 0.287 253 Y C 0.789 176.689 175.900 0.000 0.000 1.158 253 Y CA -0.494 57.613 58.100 0.011 0.000 1.307 253 Y CB -0.964 37.504 38.460 0.013 0.000 1.036 253 Y HN -0.194 nan 8.280 nan 0.000 0.532 254 L N 2.696 123.867 121.223 -0.087 0.000 2.439 254 L HA 0.305 4.659 4.340 0.024 0.000 0.269 254 L C 0.284 177.134 176.870 -0.032 0.000 1.179 254 L CA -0.005 54.857 54.840 0.037 0.000 0.828 254 L CB 0.420 42.533 42.059 0.089 0.000 1.106 254 L HN 0.141 nan 8.230 nan 0.000 0.467 255 R N 1.731 122.108 120.500 -0.205 0.000 2.739 255 R HA 0.677 5.031 4.340 0.024 0.000 0.271 255 R C -1.559 174.406 176.300 -0.558 0.000 1.010 255 R CA -0.814 55.010 56.100 -0.461 0.000 0.897 255 R CB 2.211 32.087 30.300 -0.708 0.000 1.236 255 R HN 0.276 nan 8.270 nan 0.000 0.466 256 V N 1.017 120.649 119.914 -0.469 0.000 2.540 256 V HA 0.496 4.630 4.120 0.024 0.000 0.302 256 V C -0.271 175.782 176.094 -0.068 0.000 1.035 256 V CA -0.559 61.577 62.300 -0.273 0.000 0.873 256 V CB 2.247 33.840 31.823 -0.384 0.000 0.992 256 V HN 0.720 nan 8.190 nan 0.000 0.428 257 T N 3.930 118.550 114.554 0.110 0.000 2.824 257 T HA 0.617 4.981 4.350 0.024 0.000 0.282 257 T C -0.643 174.071 174.700 0.023 0.000 0.993 257 T CA -0.363 61.797 62.100 0.099 0.000 0.967 257 T CB 1.683 70.627 68.868 0.127 0.000 0.960 257 T HN 0.346 nan 8.240 nan 0.000 0.441 258 V N 3.781 123.689 119.914 -0.010 0.000 2.448 258 V HA 0.681 4.815 4.120 0.024 0.000 0.295 258 V C -0.002 176.086 176.094 -0.010 0.000 1.025 258 V CA -0.766 61.523 62.300 -0.018 0.000 0.859 258 V CB 1.745 33.547 31.823 -0.036 0.000 0.988 258 V HN 1.036 nan 8.190 nan 0.000 0.431 259 S N 5.427 121.146 115.700 0.032 0.000 2.513 259 S HA 0.859 5.343 4.470 0.024 0.000 0.299 259 S C -1.134 173.471 174.600 0.008 0.000 1.087 259 S CA -0.736 57.459 58.200 -0.009 0.000 1.012 259 S CB 2.024 65.264 63.200 0.067 0.000 1.044 259 S HN 0.566 nan 8.310 nan 0.000 0.485 260 L N 2.749 123.856 121.223 -0.194 0.000 2.356 260 L HA 0.801 5.156 4.340 0.024 0.000 0.277 260 L C -1.954 174.775 176.870 -0.236 0.000 0.996 260 L CA -0.297 54.523 54.840 -0.033 0.000 0.822 260 L CB 1.009 43.090 42.059 0.036 0.000 1.256 260 L HN 0.903 nan 8.230 nan 0.000 0.413 261 W N 3.522 124.925 121.300 0.171 0.000 2.761 261 W HA 0.642 5.316 4.660 0.024 0.000 0.340 261 W C -0.615 175.997 176.519 0.155 0.000 1.072 261 W CA -0.519 56.903 57.345 0.128 0.000 1.215 261 W CB 1.448 30.933 29.460 0.042 0.000 1.420 261 W HN 0.339 nan 8.180 nan 0.000 0.519 262 Q N 2.229 122.175 119.800 0.245 0.000 2.454 262 Q HA 0.498 4.852 4.340 0.024 0.000 0.255 262 Q C 0.479 176.505 176.000 0.043 0.000 1.034 262 Q CA 0.054 55.826 55.803 -0.052 0.000 0.736 262 Q CB 0.681 29.273 28.738 -0.243 0.000 1.210 262 Q HN 0.765 nan 8.270 nan 0.000 0.500 263 G N 3.683 112.508 108.800 0.043 0.000 2.596 263 G HA2 -0.340 3.634 3.960 0.024 0.000 0.295 263 G HA3 -0.340 3.634 3.960 0.024 0.000 0.295 263 G C 0.572 175.556 174.900 0.139 0.000 1.240 263 G CA 0.339 45.467 45.100 0.046 0.000 0.985 263 G HN 0.595 nan 8.290 nan 0.000 0.555 264 E N 0.761 121.030 120.200 0.114 0.000 2.418 264 E HA 0.027 4.391 4.350 0.024 0.000 0.197 264 E C 1.104 177.910 176.600 0.343 0.000 1.026 264 E CA 0.995 57.493 56.400 0.163 0.000 0.862 264 E CB -0.128 29.618 29.700 0.077 0.000 0.799 264 E HN 0.365 nan 8.360 nan 0.000 0.518 265 T N 1.671 116.385 114.554 0.267 0.000 2.780 265 T HA 0.081 4.445 4.350 0.024 0.000 0.294 265 T C 0.031 174.782 174.700 0.084 0.000 0.949 265 T CA -0.134 62.070 62.100 0.173 0.000 1.074 265 T CB 1.263 70.170 68.868 0.064 0.000 0.910 265 T HN 0.006 nan 8.240 nan 0.000 0.501 266 Q N 3.675 123.325 119.800 -0.250 0.000 2.337 266 Q HA 0.237 4.592 4.340 0.024 0.000 0.255 266 Q C 0.527 176.263 176.000 -0.440 0.000 0.997 266 Q CA -0.401 54.867 55.803 -0.892 0.000 0.925 266 Q CB 0.665 28.692 28.738 -1.184 0.000 1.212 266 Q HN 0.540 nan 8.270 nan 0.000 0.436 267 V N 3.082 122.796 119.914 -0.332 0.000 2.446 267 V HA 0.142 4.276 4.120 0.024 0.000 0.244 267 V C 0.496 176.486 176.094 -0.174 0.000 1.039 267 V CA 1.491 63.705 62.300 -0.144 0.000 1.045 267 V CB 0.058 31.887 31.823 0.009 0.000 0.681 267 V HN 0.813 nan 8.190 nan 0.000 0.459 268 A N -1.411 121.269 122.820 -0.232 0.000 2.610 268 A HA 0.778 5.112 4.320 0.024 0.000 0.291 268 A C -0.760 176.702 177.584 -0.204 0.000 1.086 268 A CA 0.103 52.035 52.037 -0.175 0.000 0.677 268 A CB 1.930 20.864 19.000 -0.109 0.000 1.278 268 A HN 0.128 nan 8.150 nan 0.000 0.414 269 S N -0.990 114.624 115.700 -0.143 0.000 2.556 269 S HA 0.726 5.210 4.470 0.024 0.000 0.280 269 S C -0.625 173.931 174.600 -0.073 0.000 1.141 269 S CA 0.283 58.414 58.200 -0.114 0.000 0.883 269 S CB 1.356 64.477 63.200 -0.132 0.000 1.103 269 S HN 2.397 nan 8.310 nan 0.000 0.453 270 G N 1.721 110.490 108.800 -0.051 0.000 2.696 270 G HA2 0.698 4.672 3.960 0.024 0.000 0.295 270 G HA3 0.698 4.672 3.960 0.024 0.000 0.295 270 G C -1.354 173.530 174.900 -0.026 0.000 1.398 270 G CA -0.460 44.616 45.100 -0.041 0.000 0.920 270 G HN 0.757 nan 8.290 nan 0.000 0.492 271 T N -0.450 114.092 114.554 -0.021 0.000 2.903 271 T HA 0.873 5.237 4.350 0.024 0.000 0.299 271 T C -0.368 174.300 174.700 -0.054 0.000 1.093 271 T CA -0.016 62.078 62.100 -0.009 0.000 1.002 271 T CB 1.901 70.804 68.868 0.058 0.000 1.127 271 T HN 1.634 nan 8.240 nan 0.000 0.488 272 A N 2.641 125.393 122.820 -0.113 0.000 2.610 272 A HA 0.915 5.249 4.320 0.024 0.000 0.291 272 A C -3.126 174.321 177.584 -0.229 0.000 1.086 272 A CA -1.532 50.421 52.037 -0.140 0.000 0.677 272 A CB 1.174 20.085 19.000 -0.148 0.000 1.278 272 A HN 0.542 nan 8.150 nan 0.000 0.414 273 P HA 0.555 nan 4.420 nan 0.000 0.278 273 P C -0.629 176.513 177.300 -0.264 0.000 1.266 273 P CA -0.333 62.650 63.100 -0.196 0.000 0.807 273 P CB 0.338 31.997 31.700 -0.069 0.000 1.094 274 F N -0.081 119.830 119.950 -0.065 0.000 2.496 274 F HA 0.455 4.996 4.527 0.023 0.000 0.344 274 F C 1.503 177.285 175.800 -0.030 0.000 1.155 274 F CA 1.587 59.558 58.000 -0.047 0.000 1.302 274 F CB 0.115 39.082 39.000 -0.054 0.000 1.159 274 F HN 0.564 nan 8.300 nan 0.000 0.595 275 G N 1.622 110.532 108.800 0.184 0.000 2.789 275 G HA2 0.370 4.345 3.960 0.024 0.000 0.353 275 G HA3 0.370 4.345 3.960 0.024 0.000 0.353 275 G C -0.489 174.460 174.900 0.082 0.000 1.220 275 G CA -0.722 44.446 45.100 0.114 0.000 1.204 275 G HN 1.035 nan 8.290 nan 0.000 0.574 276 G N 0.632 109.502 108.800 0.117 0.000 2.557 276 G HA2 0.715 4.689 3.960 0.024 0.000 0.292 276 G HA3 0.715 4.689 3.960 0.024 0.000 0.292 276 G C 0.405 175.348 174.900 0.071 0.000 1.237 276 G CA -0.041 45.118 45.100 0.099 0.000 0.978 276 G HN 1.076 nan 8.290 nan 0.000 0.498 277 E N -1.027 119.210 120.200 0.061 0.000 2.392 277 E HA 0.282 4.646 4.350 0.024 0.000 0.256 277 E C -0.329 176.295 176.600 0.040 0.000 1.145 277 E CA -0.643 55.780 56.400 0.040 0.000 0.929 277 E CB 0.904 30.623 29.700 0.032 0.000 0.998 277 E HN 0.290 nan 8.360 nan 0.000 0.442 278 I N 1.831 122.412 120.570 0.019 0.000 2.752 278 I HA -0.147 4.037 4.170 0.024 0.000 0.289 278 I C 0.819 176.945 176.117 0.014 0.000 1.197 278 I CA 0.309 61.612 61.300 0.005 0.000 1.432 278 I CB 0.252 38.251 38.000 -0.002 0.000 1.359 278 I HN 0.609 nan 8.210 nan 0.000 0.571 279 I N 3.709 124.281 120.570 0.003 0.000 3.300 279 I HA 0.107 4.291 4.170 0.024 0.000 0.279 279 I C 0.454 176.571 176.117 0.000 0.000 1.172 279 I CA 0.855 62.167 61.300 0.019 0.000 1.431 279 I CB -0.672 37.341 38.000 0.023 0.000 1.240 279 I HN 0.724 nan 8.210 nan 0.000 0.453 280 D N -1.266 119.120 120.400 -0.024 0.000 2.946 280 D HA 0.106 4.761 4.640 0.024 0.000 0.337 280 D C 0.365 176.648 176.300 -0.028 0.000 1.332 280 D CA -0.404 53.584 54.000 -0.021 0.000 0.935 280 D CB 0.462 41.250 40.800 -0.021 0.000 1.440 280 D HN -0.293 nan 8.370 nan 0.000 0.540 281 E N -0.986 119.200 120.200 -0.024 0.000 2.267 281 E HA -0.045 4.319 4.350 0.024 0.000 0.197 281 E C 1.197 177.778 176.600 -0.032 0.000 0.998 281 E CA 0.997 57.383 56.400 -0.023 0.000 0.830 281 E CB -0.055 29.634 29.700 -0.017 0.000 0.751 281 E HN 0.211 nan 8.360 nan 0.000 0.491 282 R N -0.406 120.067 120.500 -0.046 0.000 2.393 282 R HA 0.331 4.685 4.340 0.024 0.000 0.244 282 R C 0.759 177.015 176.300 -0.073 0.000 0.920 282 R CA 0.626 56.692 56.100 -0.057 0.000 1.076 282 R CB 0.685 30.945 30.300 -0.066 0.000 1.119 282 R HN 0.204 nan 8.270 nan 0.000 0.524 283 G N -0.468 108.291 108.800 -0.068 0.000 2.408 283 G HA2 -0.124 3.850 3.960 0.024 0.000 0.204 283 G HA3 -0.124 3.850 3.960 0.024 0.000 0.204 283 G C -0.215 174.628 174.900 -0.095 0.000 1.186 283 G CA -0.606 44.453 45.100 -0.069 0.000 1.139 283 G HN 0.475 nan 8.290 nan 0.000 0.563 284 G N -2.021 106.716 108.800 -0.105 0.000 3.022 284 G HA2 0.657 4.631 3.960 0.024 0.000 0.284 284 G HA3 0.657 4.631 3.960 0.024 0.000 0.284 284 G C -1.601 173.189 174.900 -0.184 0.000 1.375 284 G CA -0.667 44.372 45.100 -0.101 0.000 0.902 284 G HN 0.813 nan 8.290 nan 0.000 0.538 285 Y N 1.050 121.361 120.300 0.018 0.000 2.477 285 Y HA 0.440 5.003 4.550 0.023 0.000 0.349 285 Y C 1.438 177.358 175.900 0.035 0.000 0.977 285 Y CA 0.084 58.197 58.100 0.021 0.000 1.214 285 Y CB 1.582 40.059 38.460 0.028 0.000 1.124 285 Y HN 0.549 nan 8.280 nan 0.000 0.521 286 A N 1.751 124.637 122.820 0.110 0.000 2.121 286 A HA -0.140 4.194 4.320 0.024 0.000 0.218 286 A C 1.428 179.079 177.584 0.113 0.000 1.154 286 A CA 1.397 53.488 52.037 0.090 0.000 0.679 286 A CB -0.290 18.725 19.000 0.024 0.000 0.795 286 A HN 0.785 nan 8.150 nan 0.000 0.458 287 D N -0.883 119.581 120.400 0.106 0.000 2.358 287 D HA 0.115 4.769 4.640 0.024 0.000 0.224 287 D C 0.520 176.881 176.300 0.102 0.000 1.123 287 D CA -0.036 53.946 54.000 -0.030 0.000 0.833 287 D CB 0.015 40.777 40.800 -0.064 0.000 0.946 287 D HN 0.410 nan 8.370 nan 0.000 0.505 288 R N -0.843 119.844 120.500 0.312 0.000 2.855 288 R HA 0.758 5.112 4.340 0.024 0.000 0.266 288 R C -1.554 174.907 176.300 0.268 0.000 1.034 288 R CA -1.150 55.132 56.100 0.304 0.000 0.944 288 R CB 2.955 33.306 30.300 0.085 0.000 1.219 288 R HN -0.030 nan 8.270 nan 0.000 0.474 289 V N 0.132 120.104 119.914 0.095 0.000 3.077 289 V HA 0.456 4.590 4.120 0.024 0.000 0.299 289 V C -1.551 174.510 176.094 -0.056 0.000 1.276 289 V CA -0.331 61.942 62.300 -0.044 0.000 0.993 289 V CB 2.797 34.458 31.823 -0.270 0.000 1.076 289 V HN 0.820 nan 8.190 nan 0.000 0.434 290 T N 7.127 121.651 114.554 -0.050 0.000 2.779 290 T HA 0.602 4.966 4.350 0.024 0.000 0.280 290 T C -0.874 173.793 174.700 -0.054 0.000 0.987 290 T CA -0.403 61.673 62.100 -0.041 0.000 0.966 290 T CB 1.027 69.882 68.868 -0.021 0.000 0.933 290 T HN 0.437 nan 8.240 nan 0.000 0.442 291 L N 3.555 124.745 121.223 -0.054 0.000 2.309 291 L HA 0.569 4.924 4.340 0.024 0.000 0.282 291 L C 0.366 177.211 176.870 -0.041 0.000 1.036 291 L CA -0.480 54.327 54.840 -0.055 0.000 0.806 291 L CB 1.480 43.504 42.059 -0.059 0.000 1.220 291 L HN 0.563 nan 8.230 nan 0.000 0.429 292 R N 3.727 124.202 120.500 -0.042 0.000 2.393 292 R HA 0.702 5.056 4.340 0.024 0.000 0.315 292 R C -1.042 175.233 176.300 -0.042 0.000 0.952 292 R CA -0.451 55.624 56.100 -0.041 0.000 0.842 292 R CB 1.830 32.107 30.300 -0.039 0.000 1.163 292 R HN 0.463 nan 8.270 nan 0.000 0.450 293 L N 2.629 123.828 121.223 -0.040 0.000 2.346 293 L HA 0.488 4.842 4.340 0.024 0.000 0.276 293 L C -0.331 176.514 176.870 -0.041 0.000 1.006 293 L CA -1.139 53.677 54.840 -0.041 0.000 0.817 293 L CB 1.781 43.819 42.059 -0.035 0.000 1.272 293 L HN 0.501 nan 8.230 nan 0.000 0.421 294 N N 2.032 120.702 118.700 -0.050 0.000 2.479 294 N HA 0.432 5.187 4.740 0.024 0.000 0.285 294 N C -0.887 174.580 175.510 -0.072 0.000 1.075 294 N CA -0.252 52.764 53.050 -0.056 0.000 0.967 294 N CB 2.594 41.050 38.487 -0.052 0.000 1.137 294 N HN 0.198 nan 8.380 nan 0.000 0.472 295 V N 2.251 122.109 119.914 -0.094 0.000 2.443 295 V HA 0.219 4.353 4.120 0.024 0.000 0.293 295 V C -0.240 175.774 176.094 -0.133 0.000 1.021 295 V CA -0.874 61.332 62.300 -0.156 0.000 0.848 295 V CB 1.771 33.401 31.823 -0.322 0.000 0.998 295 V HN 0.448 nan 8.190 nan 0.000 0.424 296 E N 2.832 122.976 120.200 -0.092 0.000 2.249 296 E HA 0.319 4.683 4.350 0.024 0.000 0.280 296 E C 0.278 176.851 176.600 -0.045 0.000 1.016 296 E CA -0.551 55.818 56.400 -0.052 0.000 0.830 296 E CB 0.555 30.237 29.700 -0.031 0.000 1.081 296 E HN 0.738 nan 8.360 nan 0.000 0.395 297 N N 1.100 119.795 118.700 -0.008 0.000 2.705 297 N HA -0.152 4.603 4.740 0.024 0.000 0.255 297 N C -2.407 173.102 175.510 -0.003 0.000 1.008 297 N CA 0.008 53.068 53.050 0.017 0.000 0.742 297 N CB -1.024 37.475 38.487 0.021 0.000 0.906 297 N HN 0.331 nan 8.380 nan 0.000 0.541 298 P HA 0.002 nan 4.420 nan 0.000 0.269 298 P C -0.390 176.933 177.300 0.039 0.000 1.209 298 P CA 0.365 63.356 63.100 -0.181 0.000 0.776 298 P CB 0.715 32.070 31.700 -0.574 0.000 0.876 299 K N 2.159 122.673 120.400 0.191 0.000 2.312 299 K HA 0.296 4.630 4.320 0.024 0.000 0.287 299 K C 0.197 176.951 176.600 0.257 0.000 1.062 299 K CA -0.381 56.017 56.287 0.185 0.000 0.934 299 K CB 0.180 32.768 32.500 0.147 0.000 1.027 299 K HN 0.398 nan 8.250 nan 0.000 0.478 300 L N 2.397 123.697 121.223 0.129 0.000 2.399 300 L HA 0.328 4.682 4.340 0.024 0.000 0.266 300 L C -0.117 176.833 176.870 0.133 0.000 1.114 300 L CA -0.799 54.121 54.840 0.133 0.000 0.804 300 L CB 0.496 42.477 42.059 -0.129 0.000 1.146 300 L HN 0.625 nan 8.230 nan 0.000 0.451 301 W N 2.657 123.983 121.300 0.043 0.000 2.376 301 W HA 0.494 5.168 4.660 0.023 0.000 0.322 301 W C -0.043 176.419 176.519 -0.095 0.000 1.160 301 W CA 0.053 57.408 57.345 0.016 0.000 1.218 301 W CB 1.357 30.880 29.460 0.105 0.000 1.205 301 W HN 0.601 nan 8.180 nan 0.000 0.559 302 S N 2.959 118.099 115.700 -0.933 0.000 2.656 302 S HA 0.653 5.137 4.470 0.024 0.000 0.273 302 S C 0.133 173.943 174.600 -1.316 0.000 1.168 302 S CA -0.354 57.321 58.200 -0.874 0.000 0.817 302 S CB 1.136 64.090 63.200 -0.411 0.000 1.146 302 S HN 1.007 nan 8.310 nan 0.000 0.475 303 A N 0.414 122.638 122.820 -0.994 0.000 2.015 303 A HA 0.064 4.398 4.320 0.024 0.000 0.219 303 A C 1.772 179.031 177.584 -0.541 0.000 1.163 303 A CA 1.424 52.896 52.037 -0.942 0.000 0.646 303 A CB -0.980 17.357 19.000 -1.106 0.000 0.806 303 A HN 0.872 nan 8.150 nan 0.000 0.448 304 E N -0.721 119.294 120.200 -0.308 0.000 2.047 304 E HA 0.003 4.368 4.350 0.024 0.000 0.191 304 E C -0.204 176.247 176.600 -0.248 0.000 0.987 304 E CA 0.803 57.082 56.400 -0.201 0.000 0.799 304 E CB -0.022 29.703 29.700 0.042 0.000 0.752 304 E HN 0.602 nan 8.360 nan 0.000 0.449 305 I N 1.427 121.830 120.570 -0.278 0.000 2.560 305 I HA 0.151 4.335 4.170 0.024 0.000 0.278 305 I C -2.539 173.355 176.117 -0.371 0.000 1.089 305 I CA -1.812 59.347 61.300 -0.236 0.000 1.086 305 I CB 2.329 40.242 38.000 -0.144 0.000 1.202 305 I HN -0.211 nan 8.210 nan 0.000 0.471 306 P HA 0.101 nan 4.420 nan 0.000 0.220 306 P C -0.597 176.682 177.300 -0.034 0.000 1.806 306 P CA -0.256 62.539 63.100 -0.508 0.000 0.976 306 P CB -0.230 31.318 31.700 -0.253 0.000 1.952 307 N N 1.812 120.522 118.700 0.017 0.000 2.454 307 N HA 0.145 4.899 4.740 0.024 0.000 0.260 307 N C 0.129 175.853 175.510 0.358 0.000 1.218 307 N CA 0.438 53.573 53.050 0.142 0.000 0.904 307 N CB 0.819 39.389 38.487 0.138 0.000 1.065 307 N HN 0.291 nan 8.380 nan 0.000 0.462 308 L N 2.087 123.450 121.223 0.234 0.000 2.371 308 L HA 0.491 4.845 4.340 0.024 0.000 0.262 308 L C -0.879 176.086 176.870 0.157 0.000 1.006 308 L CA -0.875 54.154 54.840 0.317 0.000 0.818 308 L CB 1.316 43.521 42.059 0.243 0.000 1.354 308 L HN 0.377 nan 8.230 nan 0.000 0.415 309 Y N 0.099 120.547 120.300 0.247 0.000 2.621 309 Y HA 0.674 5.239 4.550 0.024 0.000 0.334 309 Y C -0.238 175.783 175.900 0.202 0.000 1.074 309 Y CA -0.876 57.371 58.100 0.245 0.000 1.149 309 Y CB 1.752 40.421 38.460 0.348 0.000 1.302 309 Y HN 0.385 nan 8.280 nan 0.000 0.501 310 R N 1.020 121.754 120.500 0.390 0.000 2.480 310 R HA 0.809 5.164 4.340 0.024 0.000 0.306 310 R C -1.637 174.858 176.300 0.324 0.000 0.958 310 R CA -0.503 55.764 56.100 0.279 0.000 0.861 310 R CB 1.107 31.512 30.300 0.175 0.000 1.171 310 R HN 0.748 nan 8.270 nan 0.000 0.445 311 A N 3.870 126.822 122.820 0.220 0.000 2.292 311 A HA 0.620 4.954 4.320 0.024 0.000 0.319 311 A C -1.009 176.637 177.584 0.103 0.000 1.206 311 A CA -0.628 51.512 52.037 0.171 0.000 0.835 311 A CB 1.208 20.274 19.000 0.110 0.000 1.164 311 A HN 0.488 nan 8.150 nan 0.000 0.505 312 V N 3.372 123.355 119.914 0.115 0.000 2.448 312 V HA 0.401 4.535 4.120 0.024 0.000 0.295 312 V C -0.430 175.642 176.094 -0.036 0.000 1.025 312 V CA -0.515 61.798 62.300 0.021 0.000 0.859 312 V CB 1.619 33.475 31.823 0.056 0.000 0.988 312 V HN 0.614 nan 8.190 nan 0.000 0.431 313 V N 4.708 124.531 119.914 -0.152 0.000 2.334 313 V HA 0.419 4.553 4.120 0.024 0.000 0.281 313 V C -0.060 175.975 176.094 -0.098 0.000 1.016 313 V CA -0.566 61.621 62.300 -0.189 0.000 0.832 313 V CB 1.243 32.796 31.823 -0.451 0.000 0.999 313 V HN 0.922 nan 8.190 nan 0.000 0.439 314 E N 3.897 124.094 120.200 -0.006 0.000 2.151 314 E HA 0.491 4.855 4.350 0.024 0.000 0.275 314 E C -0.922 175.767 176.600 0.147 0.000 0.936 314 E CA -0.859 55.584 56.400 0.071 0.000 0.777 314 E CB 2.531 32.290 29.700 0.099 0.000 1.108 314 E HN 0.500 nan 8.360 nan 0.000 0.401 315 L N 4.708 125.997 121.223 0.111 0.000 2.257 315 L HA 0.365 4.719 4.340 0.024 0.000 0.290 315 L C -0.932 176.039 176.870 0.167 0.000 1.044 315 L CA 0.152 55.054 54.840 0.105 0.000 0.810 315 L CB -0.033 42.076 42.059 0.082 0.000 1.193 315 L HN 0.648 nan 8.230 nan 0.000 0.425 316 H N 0.357 119.468 119.070 0.068 0.000 2.942 316 H HA 0.810 5.380 4.556 0.024 0.000 0.316 316 H C -0.688 174.709 175.328 0.116 0.000 1.323 316 H CA -0.498 55.593 56.048 0.071 0.000 1.144 316 H CB 0.763 30.548 29.762 0.038 0.000 1.866 316 H HN 0.510 nan 8.280 nan 0.000 0.545 317 T N -2.179 112.513 114.554 0.229 0.000 2.927 317 T HA 0.524 4.888 4.350 0.024 0.000 0.281 317 T C 1.460 176.292 174.700 0.221 0.000 0.998 317 T CA -0.391 61.835 62.100 0.209 0.000 1.019 317 T CB 1.475 70.407 68.868 0.106 0.000 1.061 317 T HN 0.929 nan 8.240 nan 0.000 0.518 318 A N 1.379 124.305 122.820 0.176 0.000 1.986 318 A HA -0.154 4.181 4.320 0.024 0.000 0.220 318 A C 1.876 179.530 177.584 0.117 0.000 1.171 318 A CA 2.126 54.248 52.037 0.142 0.000 0.640 318 A CB -1.242 17.831 19.000 0.121 0.000 0.811 318 A HN 1.018 nan 8.150 nan 0.000 0.451 319 D N -2.511 117.932 120.400 0.071 0.000 2.312 319 D HA 0.240 4.894 4.640 0.024 0.000 0.211 319 D C 1.248 177.575 176.300 0.044 0.000 0.964 319 D CA 1.341 55.360 54.000 0.032 0.000 0.877 319 D CB -0.455 40.337 40.800 -0.015 0.000 0.924 319 D HN 0.888 nan 8.370 nan 0.000 0.515 320 G N -1.327 107.529 108.800 0.094 0.000 2.192 320 G HA2 -0.198 3.776 3.960 0.024 0.000 0.193 320 G HA3 -0.198 3.776 3.960 0.024 0.000 0.193 320 G C 0.209 175.132 174.900 0.039 0.000 0.999 320 G CA 0.033 45.161 45.100 0.048 0.000 0.659 320 G HN 0.405 nan 8.290 nan 0.000 0.503 321 T N 2.159 116.754 114.554 0.069 0.000 2.779 321 T HA 0.484 4.848 4.350 0.024 0.000 0.296 321 T C 0.318 175.077 174.700 0.098 0.000 0.938 321 T CA -0.109 62.023 62.100 0.053 0.000 1.119 321 T CB 1.918 70.803 68.868 0.028 0.000 0.891 321 T HN 0.506 nan 8.240 nan 0.000 0.526 322 L N 4.675 125.937 121.223 0.065 0.000 2.410 322 L HA 0.322 4.676 4.340 0.024 0.000 0.273 322 L C 0.792 177.712 176.870 0.083 0.000 1.152 322 L CA 0.325 55.217 54.840 0.087 0.000 0.855 322 L CB 0.071 42.153 42.059 0.039 0.000 1.129 322 L HN 0.698 nan 8.230 nan 0.000 0.463 323 I N 2.383 123.014 120.570 0.102 0.000 2.512 323 I HA 0.115 4.299 4.170 0.024 0.000 0.247 323 I C 0.227 176.370 176.117 0.044 0.000 1.094 323 I CA 0.435 61.777 61.300 0.069 0.000 1.427 323 I CB 0.207 38.252 38.000 0.074 0.000 1.149 323 I HN 0.813 nan 8.210 nan 0.000 0.438 324 E N 0.000 120.227 120.200 0.045 0.000 2.429 324 E HA 0.731 5.096 4.350 0.024 0.000 0.280 324 E C -1.394 175.232 176.600 0.042 0.000 1.068 324 E CA -1.089 55.330 56.400 0.032 0.000 0.837 324 E CB 1.743 31.430 29.700 -0.022 0.000 1.357 324 E HN 0.001 nan 8.360 nan 0.000 0.455 325 A N 0.941 123.807 122.820 0.077 0.000 2.449 325 A HA 0.716 5.050 4.320 0.024 0.000 0.302 325 A C -1.102 176.583 177.584 0.168 0.000 1.048 325 A CA -0.752 51.333 52.037 0.080 0.000 0.708 325 A CB 1.678 20.727 19.000 0.081 0.000 1.274 325 A HN 0.485 nan 8.150 nan 0.000 0.410 326 E N -0.324 119.903 120.200 0.044 0.000 2.359 326 E HA 0.846 5.210 4.350 0.024 0.000 0.266 326 E C -0.519 176.105 176.600 0.041 0.000 0.920 326 E CA -0.469 56.005 56.400 0.124 0.000 0.788 326 E CB 2.402 32.054 29.700 -0.079 0.000 1.279 326 E HN 1.181 nan 8.360 nan 0.000 0.438 327 A N -0.037 122.935 122.820 0.253 0.000 2.586 327 A HA 0.757 5.092 4.320 0.024 0.000 0.290 327 A C -1.100 176.677 177.584 0.322 0.000 1.086 327 A CA -0.411 51.708 52.037 0.135 0.000 0.665 327 A CB 0.752 19.756 19.000 0.007 0.000 1.279 327 A HN 0.850 nan 8.150 nan 0.000 0.423 328 C N -0.798 118.645 119.300 0.239 0.000 3.321 328 C HA 0.811 5.285 4.460 0.024 0.000 0.329 328 C C -1.355 173.734 174.990 0.166 0.000 1.394 328 C CA -0.956 58.206 59.018 0.240 0.000 1.291 328 C CB 1.065 28.952 27.740 0.246 0.000 1.606 328 C HN 0.805 nan 8.230 nan 0.000 0.463 329 D N 0.938 121.421 120.400 0.138 0.000 2.304 329 D HA 0.561 5.215 4.640 0.024 0.000 0.250 329 D C -0.409 175.949 176.300 0.097 0.000 1.107 329 D CA 0.178 54.259 54.000 0.135 0.000 0.885 329 D CB 1.879 42.762 40.800 0.138 0.000 1.192 329 D HN 0.535 nan 8.370 nan 0.000 0.436 330 V N 1.141 121.140 119.914 0.142 0.000 2.495 330 V HA 0.674 4.808 4.120 0.024 0.000 0.298 330 V C 0.581 176.747 176.094 0.121 0.000 1.031 330 V CA -0.832 61.498 62.300 0.050 0.000 0.871 330 V CB 2.035 33.864 31.823 0.011 0.000 0.988 330 V HN 0.605 nan 8.190 nan 0.000 0.432 331 G N 2.957 111.730 108.800 -0.045 0.000 2.487 331 G HA2 0.616 4.590 3.960 0.024 0.000 0.314 331 G HA3 0.616 4.590 3.960 0.024 0.000 0.314 331 G C -1.068 173.909 174.900 0.129 0.000 1.267 331 G CA -0.398 44.772 45.100 0.117 0.000 0.937 331 G HN 0.412 nan 8.290 nan 0.000 0.481 332 F N 4.029 124.157 119.950 0.297 0.000 2.434 332 F HA 0.466 5.006 4.527 0.023 0.000 0.358 332 F C 1.093 177.137 175.800 0.406 0.000 1.136 332 F CA -0.145 58.092 58.000 0.395 0.000 1.157 332 F CB 0.722 39.967 39.000 0.408 0.000 1.167 332 F HN 0.450 nan 8.300 nan 0.000 0.539 333 R N 3.055 123.838 120.500 0.472 0.000 2.663 333 R HA 0.408 4.762 4.340 0.024 0.000 0.267 333 R C -1.855 174.591 176.300 0.242 0.000 1.038 333 R CA -0.782 55.438 56.100 0.201 0.000 0.886 333 R CB 1.504 31.967 30.300 0.271 0.000 1.249 333 R HN 0.603 nan 8.270 nan 0.000 0.463 334 E N 2.008 122.247 120.200 0.064 0.000 2.199 334 E HA 0.500 4.864 4.350 0.024 0.000 0.269 334 E C -1.200 175.468 176.600 0.113 0.000 0.899 334 E CA -0.965 55.562 56.400 0.211 0.000 0.772 334 E CB 2.154 32.060 29.700 0.345 0.000 1.155 334 E HN 0.399 nan 8.360 nan 0.000 0.408 335 V N 5.366 125.345 119.914 0.108 0.000 2.409 335 V HA 0.561 4.696 4.120 0.024 0.000 0.291 335 V C -0.255 175.880 176.094 0.069 0.000 1.020 335 V CA -0.663 61.672 62.300 0.059 0.000 0.848 335 V CB 1.166 33.003 31.823 0.022 0.000 0.990 335 V HN 0.728 nan 8.190 nan 0.000 0.430 336 R N 4.163 124.700 120.500 0.061 0.000 2.710 336 R HA 0.747 5.101 4.340 0.024 0.000 0.270 336 R C -1.945 174.382 176.300 0.045 0.000 1.021 336 R CA -0.950 55.188 56.100 0.064 0.000 0.889 336 R CB 2.068 32.420 30.300 0.087 0.000 1.243 336 R HN 0.504 nan 8.270 nan 0.000 0.464 337 I N 1.320 121.916 120.570 0.045 0.000 2.339 337 I HA 0.338 4.522 4.170 0.024 0.000 0.290 337 I C -0.562 175.577 176.117 0.037 0.000 0.994 337 I CA -0.377 60.944 61.300 0.034 0.000 1.191 337 I CB 1.771 39.792 38.000 0.035 0.000 1.343 337 I HN 0.694 nan 8.210 nan 0.000 0.458 338 E N 5.585 125.803 120.200 0.030 0.000 2.275 338 E HA 0.264 4.628 4.350 0.024 0.000 0.270 338 E C -0.206 176.407 176.600 0.022 0.000 0.882 338 E CA -0.567 55.852 56.400 0.032 0.000 0.758 338 E CB 1.099 30.824 29.700 0.041 0.000 1.195 338 E HN 0.518 nan 8.360 nan 0.000 0.419 339 N N 2.966 121.679 118.700 0.021 0.000 2.708 339 N HA -0.236 4.518 4.740 0.024 0.000 0.249 339 N C 0.424 175.939 175.510 0.009 0.000 1.097 339 N CA 2.036 55.095 53.050 0.015 0.000 0.710 339 N CB -1.157 37.337 38.487 0.013 0.000 1.032 339 N HN 0.954 nan 8.380 nan 0.000 0.551 340 G N -2.246 106.560 108.800 0.010 0.000 2.159 340 G HA2 -0.279 3.695 3.960 0.024 0.000 0.256 340 G HA3 -0.279 3.695 3.960 0.024 0.000 0.256 340 G C -0.128 174.766 174.900 -0.010 0.000 0.977 340 G CA 0.483 45.585 45.100 0.002 0.000 0.652 340 G HN 0.463 nan 8.290 nan 0.000 0.531 341 L N 0.076 121.293 121.223 -0.009 0.000 2.365 341 L HA 0.665 5.019 4.340 0.024 0.000 0.273 341 L C 0.186 177.044 176.870 -0.021 0.000 1.000 341 L CA -1.315 53.510 54.840 -0.024 0.000 0.819 341 L CB 1.899 43.944 42.059 -0.024 0.000 1.284 341 L HN 0.096 nan 8.230 nan 0.000 0.418 342 L N 4.735 125.934 121.223 -0.041 0.000 2.369 342 L HA 0.365 4.719 4.340 0.024 0.000 0.279 342 L C -0.798 176.045 176.870 -0.045 0.000 1.108 342 L CA 0.587 55.402 54.840 -0.041 0.000 0.852 342 L CB 0.085 42.106 42.059 -0.064 0.000 1.169 342 L HN 0.397 nan 8.230 nan 0.000 0.452 343 L N 5.962 127.175 121.223 -0.016 0.000 2.346 343 L HA 0.547 4.901 4.340 0.024 0.000 0.274 343 L C -0.801 176.069 176.870 -0.001 0.000 1.007 343 L CA -0.844 53.993 54.840 -0.004 0.000 0.818 343 L CB 1.947 44.028 42.059 0.036 0.000 1.284 343 L HN 0.538 nan 8.230 nan 0.000 0.424 344 L N 3.537 124.767 121.223 0.011 0.000 2.343 344 L HA 0.482 4.836 4.340 0.024 0.000 0.278 344 L C -0.230 176.646 176.870 0.011 0.000 0.996 344 L CA -0.063 54.792 54.840 0.026 0.000 0.831 344 L CB 0.902 42.982 42.059 0.034 0.000 1.232 344 L HN 0.606 nan 8.230 nan 0.000 0.413 345 N N 4.066 122.615 118.700 -0.252 0.000 2.721 345 N HA -0.216 4.538 4.740 0.024 0.000 0.249 345 N C 0.905 176.013 175.510 -0.669 0.000 1.072 345 N CA 1.372 53.889 53.050 -0.889 0.000 0.710 345 N CB -1.264 36.677 38.487 -0.911 0.000 0.993 345 N HN 1.163 nan 8.380 nan 0.000 0.547 346 G N -2.197 106.523 108.800 -0.133 0.000 2.179 346 G HA2 -0.353 3.621 3.960 0.024 0.000 0.260 346 G HA3 -0.353 3.621 3.960 0.024 0.000 0.260 346 G C -0.084 174.850 174.900 0.055 0.000 0.977 346 G CA 0.889 46.047 45.100 0.096 0.000 0.641 346 G HN 0.393 nan 8.290 nan 0.000 0.533 347 K N 0.843 121.264 120.400 0.036 0.000 2.207 347 K HA 0.550 4.884 4.320 0.024 0.000 0.255 347 K C -2.689 173.882 176.600 -0.048 0.000 0.941 347 K CA -2.470 53.800 56.287 -0.027 0.000 0.825 347 K CB 2.343 34.754 32.500 -0.148 0.000 1.119 347 K HN 0.102 nan 8.250 nan 0.000 0.430 348 P HA 0.177 nan 4.420 nan 0.000 0.276 348 P C -0.160 177.073 177.300 -0.111 0.000 1.243 348 P CA -0.228 62.825 63.100 -0.080 0.000 0.768 348 P CB 0.574 32.229 31.700 -0.075 0.000 0.856 349 L N 3.489 124.641 121.223 -0.119 0.000 2.453 349 L HA 0.264 4.619 4.340 0.024 0.000 0.261 349 L C 0.714 177.500 176.870 -0.140 0.000 1.179 349 L CA -0.646 54.112 54.840 -0.136 0.000 0.813 349 L CB 0.376 42.312 42.059 -0.205 0.000 1.110 349 L HN 0.288 nan 8.230 nan 0.000 0.466 350 L N 3.801 124.961 121.223 -0.106 0.000 2.353 350 L HA 0.422 4.777 4.340 0.024 0.000 0.270 350 L C -0.528 176.298 176.870 -0.073 0.000 1.003 350 L CA -0.158 54.605 54.840 -0.128 0.000 0.862 350 L CB 0.820 42.833 42.059 -0.077 0.000 1.221 350 L HN 0.252 nan 8.230 nan 0.000 0.430 351 I N 5.025 125.485 120.570 -0.184 0.000 2.379 351 I HA 0.213 4.398 4.170 0.024 0.000 0.290 351 I C 0.484 176.580 176.117 -0.035 0.000 1.063 351 I CA 0.097 61.308 61.300 -0.148 0.000 1.351 351 I CB 0.598 38.381 38.000 -0.362 0.000 1.410 351 I HN 0.577 nan 8.210 nan 0.000 0.505 352 R N 4.771 125.337 120.500 0.111 0.000 2.937 352 R HA 0.441 4.795 4.340 0.024 0.000 0.264 352 R C 0.449 176.898 176.300 0.248 0.000 1.334 352 R CA -0.276 55.942 56.100 0.196 0.000 1.516 352 R CB 0.989 31.225 30.300 -0.106 0.000 1.187 352 R HN 0.778 nan 8.270 nan 0.000 0.609 353 G N 0.103 109.007 108.800 0.172 0.000 2.552 353 G HA2 0.615 4.589 3.960 0.024 0.000 0.324 353 G HA3 0.615 4.589 3.960 0.024 0.000 0.324 353 G C -1.300 173.896 174.900 0.492 0.000 1.217 353 G CA -0.467 44.725 45.100 0.154 0.000 0.989 353 G HN 0.227 nan 8.290 nan 0.000 0.490 354 V N -0.222 119.947 119.914 0.426 0.000 3.012 354 V HA 0.466 4.601 4.120 0.024 0.000 0.307 354 V C -1.210 175.002 176.094 0.196 0.000 1.166 354 V CA -1.200 61.230 62.300 0.216 0.000 0.974 354 V CB 2.251 33.890 31.823 -0.307 0.000 1.040 354 V HN 0.763 nan 8.190 nan 0.000 0.428 355 N N 4.173 122.895 118.700 0.036 0.000 2.499 355 N HA 0.458 5.212 4.740 0.024 0.000 0.281 355 N C -0.767 174.507 175.510 -0.393 0.000 1.098 355 N CA -0.326 52.591 53.050 -0.220 0.000 0.979 355 N CB 1.510 39.768 38.487 -0.383 0.000 1.121 355 N HN 0.627 nan 8.380 nan 0.000 0.466 356 R N 2.204 122.445 120.500 -0.432 0.000 2.510 356 R HA 0.200 4.555 4.340 0.024 0.000 0.294 356 R C -1.011 175.014 176.300 -0.459 0.000 1.056 356 R CA -0.544 55.325 56.100 -0.385 0.000 0.918 356 R CB 0.747 30.821 30.300 -0.376 0.000 1.187 356 R HN 0.598 nan 8.270 nan 0.000 0.437 357 H N 2.120 121.018 119.070 -0.287 0.000 2.547 357 H HA 0.122 4.693 4.556 0.024 0.000 0.362 357 H C -0.459 174.858 175.328 -0.018 0.000 1.181 357 H CA 0.130 56.107 56.048 -0.118 0.000 1.376 357 H CB 1.377 31.135 29.762 -0.007 0.000 1.488 357 H HN 0.553 nan 8.280 nan 0.000 0.583 358 E N 1.799 122.182 120.200 0.306 0.000 1.996 358 E HA 0.109 4.473 4.350 0.024 0.000 0.280 358 E C -0.712 176.045 176.600 0.261 0.000 1.092 358 E CA 0.004 56.515 56.400 0.186 0.000 0.862 358 E CB 0.282 30.107 29.700 0.209 0.000 1.066 358 E HN 0.380 nan 8.360 nan 0.000 0.396 359 H N 1.722 120.858 119.070 0.110 0.000 2.865 359 H HA 0.276 4.847 4.556 0.024 0.000 0.362 359 H C -1.676 173.720 175.328 0.113 0.000 1.114 359 H CA -0.684 55.428 56.048 0.106 0.000 1.208 359 H CB 1.116 30.928 29.762 0.084 0.000 1.727 359 H HN 0.408 nan 8.280 nan 0.000 0.534 360 H N 5.833 124.520 119.070 -0.639 0.000 2.759 360 H HA 0.232 4.802 4.556 0.024 0.000 0.354 360 H C -2.432 172.534 175.328 -0.603 0.000 1.074 360 H CA -2.432 53.384 56.048 -0.386 0.000 1.226 360 H CB 2.769 32.448 29.762 -0.138 0.000 1.648 360 H HN 0.525 nan 8.280 nan 0.000 0.529 361 P HA -0.025 nan 4.420 nan 0.000 0.226 361 P C 1.104 178.329 177.300 -0.124 0.000 1.153 361 P CA 0.645 63.613 63.100 -0.220 0.000 0.777 361 P CB 0.872 32.472 31.700 -0.167 0.000 0.794 362 L N -2.019 119.274 121.223 0.115 0.000 2.467 362 L HA 0.151 4.505 4.340 0.024 0.000 0.213 362 L C 2.093 178.755 176.870 -0.347 0.000 1.053 362 L CA 0.622 55.356 54.840 -0.177 0.000 0.847 362 L CB -0.621 41.238 42.059 -0.333 0.000 1.075 362 L HN -0.041 nan 8.230 nan 0.000 0.479 363 H N -0.556 118.455 119.070 -0.098 0.000 2.539 363 H HA 0.258 4.829 4.556 0.024 0.000 0.269 363 H C 1.445 176.656 175.328 -0.196 0.000 0.980 363 H CA 0.306 56.211 56.048 -0.239 0.000 1.152 363 H CB 0.417 29.932 29.762 -0.413 0.000 1.407 363 H HN 0.373 nan 8.280 nan 0.000 0.564 364 G N 1.313 110.022 108.800 -0.152 0.000 2.609 364 G HA2 -0.400 3.574 3.960 0.024 0.000 0.288 364 G HA3 -0.400 3.574 3.960 0.024 0.000 0.288 364 G C 0.777 175.588 174.900 -0.148 0.000 1.211 364 G CA 0.441 45.401 45.100 -0.234 0.000 0.963 364 G HN 0.460 nan 8.290 nan 0.000 0.541 365 Q N -0.060 119.685 119.800 -0.093 0.000 2.219 365 Q HA 0.479 4.833 4.340 0.024 0.000 0.209 365 Q C 0.348 176.447 176.000 0.164 0.000 0.854 365 Q CA -0.104 55.694 55.803 -0.008 0.000 0.960 365 Q CB 1.422 30.041 28.738 -0.199 0.000 1.116 365 Q HN 0.353 nan 8.270 nan 0.000 0.500 366 V N 2.201 122.181 119.914 0.110 0.000 2.488 366 V HA 0.167 4.302 4.120 0.024 0.000 0.277 366 V C 0.133 176.272 176.094 0.074 0.000 1.046 366 V CA 0.214 62.581 62.300 0.112 0.000 0.986 366 V CB 0.990 32.811 31.823 -0.003 0.000 0.989 366 V HN 0.314 nan 8.190 nan 0.000 0.475 367 M N 5.532 125.185 119.600 0.088 0.000 2.404 367 M HA 0.514 5.008 4.480 0.024 0.000 0.338 367 M C -0.542 175.733 176.300 -0.042 0.000 1.150 367 M CA -0.522 54.800 55.300 0.036 0.000 1.016 367 M CB 1.863 34.474 32.600 0.018 0.000 1.672 367 M HN 0.799 nan 8.290 nan 0.000 0.448 368 D N 0.432 120.808 120.400 -0.040 0.000 2.547 368 D HA 0.227 4.881 4.640 0.024 0.000 0.231 368 D C 0.147 176.428 176.300 -0.031 0.000 1.099 368 D CA -0.468 53.502 54.000 -0.049 0.000 0.901 368 D CB 1.872 42.663 40.800 -0.014 0.000 1.478 368 D HN 0.708 nan 8.370 nan 0.000 0.471 369 E N -0.218 119.969 120.200 -0.022 0.000 2.085 369 E HA -0.274 4.090 4.350 0.024 0.000 0.194 369 E C 1.460 178.100 176.600 0.066 0.000 0.994 369 E CA 1.463 57.876 56.400 0.022 0.000 0.801 369 E CB 0.191 29.915 29.700 0.039 0.000 0.743 369 E HN 0.271 nan 8.360 nan 0.000 0.453 370 Q N 0.040 119.882 119.800 0.070 0.000 2.077 370 Q HA -0.140 4.214 4.340 0.024 0.000 0.206 370 Q C 2.190 178.252 176.000 0.103 0.000 0.989 370 Q CA 2.276 58.132 55.803 0.087 0.000 0.853 370 Q CB -0.777 28.014 28.738 0.088 0.000 0.907 370 Q HN 0.309 nan 8.270 nan 0.000 0.418 371 T N 0.271 114.897 114.554 0.120 0.000 2.746 371 T HA -0.111 4.253 4.350 0.024 0.000 0.267 371 T C 1.830 176.615 174.700 0.142 0.000 1.039 371 T CA 1.377 63.564 62.100 0.144 0.000 1.142 371 T CB -0.168 68.815 68.868 0.192 0.000 0.866 371 T HN 0.240 nan 8.240 nan 0.000 0.444 372 M N 0.588 120.271 119.600 0.139 0.000 2.086 372 M HA -0.103 4.391 4.480 0.024 0.000 0.261 372 M C 2.480 178.888 176.300 0.181 0.000 1.067 372 M CA 1.369 56.813 55.300 0.241 0.000 1.116 372 M CB -0.648 32.112 32.600 0.268 0.000 1.348 372 M HN 0.106 nan 8.290 nan 0.000 0.407 373 V N 0.217 120.181 119.914 0.083 0.000 2.295 373 V HA -0.313 3.822 4.120 0.024 0.000 0.246 373 V C 2.316 178.391 176.094 -0.032 0.000 1.049 373 V CA 2.111 64.391 62.300 -0.033 0.000 1.024 373 V CB -0.919 30.924 31.823 0.033 0.000 0.648 373 V HN 0.561 nan 8.190 nan 0.000 0.447 374 Q N -0.298 119.538 119.800 0.060 0.000 2.096 374 Q HA -0.280 4.074 4.340 0.024 0.000 0.204 374 Q C 1.998 178.076 176.000 0.131 0.000 0.982 374 Q CA 2.217 58.076 55.803 0.094 0.000 0.850 374 Q CB -0.144 28.667 28.738 0.121 0.000 0.901 374 Q HN 0.639 nan 8.270 nan 0.000 0.422 375 D N 0.227 120.720 120.400 0.156 0.000 2.097 375 D HA -0.141 4.513 4.640 0.024 0.000 0.195 375 D C 1.930 178.186 176.300 -0.073 0.000 0.989 375 D CA 1.116 55.211 54.000 0.158 0.000 0.827 375 D CB -0.208 40.661 40.800 0.115 0.000 0.966 375 D HN 0.360 nan 8.370 nan 0.000 0.456 376 I N 0.638 121.152 120.570 -0.094 0.000 2.226 376 I HA -0.240 3.944 4.170 0.024 0.000 0.245 376 I C 2.446 178.432 176.117 -0.218 0.000 1.100 376 I CA 0.681 61.825 61.300 -0.261 0.000 1.374 376 I CB -0.159 37.563 38.000 -0.465 0.000 1.057 376 I HN -0.011 nan 8.210 nan 0.000 0.413 377 L N 0.091 121.218 121.223 -0.159 0.000 2.017 377 L HA -0.237 4.117 4.340 0.024 0.000 0.208 377 L C 2.576 179.522 176.870 0.126 0.000 1.073 377 L CA 1.425 56.261 54.840 -0.006 0.000 0.745 377 L CB -0.577 41.500 42.059 0.030 0.000 0.894 377 L HN 0.271 nan 8.230 nan 0.000 0.432 378 L N -0.968 120.356 121.223 0.169 0.000 2.042 378 L HA -0.261 4.093 4.340 0.024 0.000 0.210 378 L C 2.709 179.773 176.870 0.324 0.000 1.076 378 L CA 1.353 56.384 54.840 0.319 0.000 0.749 378 L CB -0.315 42.057 42.059 0.521 0.000 0.893 378 L HN 0.313 nan 8.230 nan 0.000 0.432 379 M N -0.572 119.041 119.600 0.022 0.000 2.065 379 M HA -0.269 4.225 4.480 0.024 0.000 0.259 379 M C 2.311 178.724 176.300 0.188 0.000 1.071 379 M CA 1.916 57.156 55.300 -0.101 0.000 1.109 379 M CB -0.446 31.848 32.600 -0.511 0.000 1.313 379 M HN 0.093 nan 8.290 nan 0.000 0.408 380 K N 0.100 120.515 120.400 0.024 0.000 2.063 380 K HA -0.199 4.135 4.320 0.024 0.000 0.208 380 K C 1.954 178.595 176.600 0.068 0.000 1.048 380 K CA 1.467 57.673 56.287 -0.135 0.000 0.928 380 K CB -0.320 31.944 32.500 -0.394 0.000 0.713 380 K HN 0.507 nan 8.250 nan 0.000 0.442 381 Q N 0.353 120.355 119.800 0.337 0.000 2.291 381 Q HA -0.049 4.305 4.340 0.024 0.000 0.205 381 Q C 0.898 177.222 176.000 0.540 0.000 0.970 381 Q CA 0.754 56.861 55.803 0.506 0.000 0.876 381 Q CB 0.076 29.074 28.738 0.434 0.000 0.935 381 Q HN 0.293 nan 8.270 nan 0.000 0.455 382 N N 0.643 119.606 118.700 0.439 0.000 2.279 382 N HA 0.053 4.807 4.740 0.024 0.000 0.226 382 N C -0.608 175.005 175.510 0.172 0.000 1.126 382 N CA 0.022 53.312 53.050 0.399 0.000 0.846 382 N CB 0.676 39.481 38.487 0.531 0.000 1.050 382 N HN 0.157 nan 8.380 nan 0.000 0.502 383 N N 0.222 119.044 118.700 0.203 0.000 2.776 383 N HA -0.185 4.569 4.740 0.024 0.000 0.250 383 N C -0.855 174.598 175.510 -0.095 0.000 1.112 383 N CA 0.773 53.907 53.050 0.139 0.000 0.733 383 N CB -1.765 36.737 38.487 0.026 0.000 1.097 383 N HN 0.258 nan 8.380 nan 0.000 0.558 384 F N 1.042 121.030 119.950 0.064 0.000 2.375 384 F HA 0.291 4.832 4.527 0.023 0.000 0.333 384 F C 1.790 177.594 175.800 0.008 0.000 1.104 384 F CA -0.508 57.507 58.000 0.025 0.000 1.149 384 F CB 0.810 39.794 39.000 -0.027 0.000 1.190 384 F HN 0.055 nan 8.300 nan 0.000 0.533 385 N N 0.615 119.440 118.700 0.208 0.000 2.143 385 N HA 0.437 5.191 4.740 0.024 0.000 0.222 385 N C -0.820 174.751 175.510 0.102 0.000 1.264 385 N CA 0.005 53.105 53.050 0.085 0.000 0.897 385 N CB 0.759 39.332 38.487 0.144 0.000 1.092 385 N HN 0.474 nan 8.380 nan 0.000 0.516 386 A N -0.541 122.409 122.820 0.217 0.000 2.606 386 A HA 0.759 5.093 4.320 0.024 0.000 0.293 386 A C -1.785 176.020 177.584 0.369 0.000 1.082 386 A CA -0.688 51.538 52.037 0.313 0.000 0.685 386 A CB 1.763 20.974 19.000 0.350 0.000 1.284 386 A HN 0.250 nan 8.150 nan 0.000 0.408 387 V N 0.963 121.137 119.914 0.434 0.000 2.888 387 V HA 0.806 4.940 4.120 0.024 0.000 0.309 387 V C -0.662 175.562 176.094 0.216 0.000 1.114 387 V CA -0.699 61.808 62.300 0.344 0.000 0.940 387 V CB 1.879 33.835 31.823 0.222 0.000 1.021 387 V HN 1.142 nan 8.190 nan 0.000 0.426 388 R N 4.879 125.348 120.500 -0.052 0.000 2.393 388 R HA 0.492 4.846 4.340 0.024 0.000 0.310 388 R C -0.732 175.414 176.300 -0.257 0.000 0.968 388 R CA -0.466 55.412 56.100 -0.370 0.000 0.867 388 R CB 1.181 31.030 30.300 -0.753 0.000 1.124 388 R HN 0.810 nan 8.270 nan 0.000 0.450 389 C N 4.443 123.623 119.300 -0.199 0.000 3.183 389 C HA 0.117 4.591 4.460 0.024 0.000 0.545 389 C C 0.464 175.166 174.990 -0.480 0.000 1.044 389 C CA -0.437 58.413 59.018 -0.280 0.000 1.117 389 C CB -2.105 25.593 27.740 -0.069 0.000 1.393 389 C HN 0.731 nan 8.230 nan 0.000 0.611 390 S N 1.428 116.720 115.700 -0.680 0.000 2.481 390 S HA 0.149 4.634 4.470 0.024 0.000 0.282 390 S C -0.154 173.559 174.600 -1.478 0.000 1.243 390 S CA 0.187 57.740 58.200 -1.079 0.000 1.078 390 S CB 0.129 62.614 63.200 -1.191 0.000 0.916 390 S HN 0.722 nan 8.310 nan 0.000 0.495 391 H N 3.797 122.292 119.070 -0.958 0.000 2.379 391 H HA 0.349 4.919 4.556 0.023 0.000 0.229 391 H C -1.122 174.085 175.328 -0.202 0.000 1.423 391 H CA -0.353 55.496 56.048 -0.332 0.000 1.375 391 H CB -0.138 29.630 29.762 0.010 0.000 1.592 391 H HN 0.889 nan 8.280 nan 0.000 0.507 392 Y N -2.556 117.848 120.300 0.173 0.000 2.841 392 Y HA 0.343 4.908 4.550 0.024 0.000 0.373 392 Y C -3.331 172.676 175.900 0.178 0.000 1.170 392 Y CA -2.939 55.272 58.100 0.185 0.000 1.196 392 Y CB -0.065 38.509 38.460 0.190 0.000 1.433 392 Y HN -0.041 nan 8.280 nan 0.000 0.479 393 P HA 0.168 nan 4.420 nan 0.000 0.268 393 P C -0.609 176.977 177.300 0.476 0.000 1.205 393 P CA 0.134 63.485 63.100 0.419 0.000 0.771 393 P CB 0.570 32.449 31.700 0.299 0.000 0.858 394 N N 0.680 119.675 118.700 0.492 0.000 2.458 394 N HA 0.084 4.839 4.740 0.024 0.000 0.271 394 N C 0.146 175.892 175.510 0.394 0.000 1.210 394 N CA -0.571 52.676 53.050 0.328 0.000 0.978 394 N CB 0.353 38.820 38.487 -0.034 0.000 1.206 394 N HN 0.602 nan 8.380 nan 0.000 0.536 395 H N 2.225 121.395 119.070 0.167 0.000 3.115 395 H HA -0.022 4.549 4.556 0.023 0.000 0.324 395 H C -1.613 173.884 175.328 0.281 0.000 1.007 395 H CA -0.679 55.457 56.048 0.148 0.000 1.385 395 H CB 0.915 30.728 29.762 0.084 0.000 1.351 395 H HN 0.436 nan 8.280 nan 0.000 0.592 396 P HA -0.206 nan 4.420 nan 0.000 0.217 396 P C 1.869 179.503 177.300 0.556 0.000 1.148 396 P CA 0.771 64.148 63.100 0.461 0.000 0.828 396 P CB 0.196 32.013 31.700 0.195 0.000 0.783 397 L N -0.950 120.678 121.223 0.675 0.000 2.191 397 L HA -0.062 4.292 4.340 0.024 0.000 0.212 397 L C 2.408 179.425 176.870 0.244 0.000 1.103 397 L CA 1.447 56.499 54.840 0.353 0.000 0.769 397 L CB -1.406 40.760 42.059 0.179 0.000 0.908 397 L HN 0.021 nan 8.230 nan 0.000 0.438 398 W N -0.425 120.886 121.300 0.019 0.000 2.321 398 W HA -0.351 4.322 4.660 0.023 0.000 0.306 398 W C 2.085 178.435 176.519 -0.282 0.000 1.217 398 W CA 2.090 59.312 57.345 -0.205 0.000 1.257 398 W CB -0.410 28.825 29.460 -0.375 0.000 1.145 398 W HN 0.281 nan 8.180 nan 0.000 0.509 399 Y N 0.616 120.851 120.300 -0.109 0.000 2.200 399 Y HA -0.215 4.350 4.550 0.023 0.000 0.290 399 Y C 2.887 178.547 175.900 -0.400 0.000 1.137 399 Y CA 2.172 59.989 58.100 -0.472 0.000 1.163 399 Y CB -1.271 36.597 38.460 -0.987 0.000 0.988 399 Y HN -0.227 nan 8.280 nan 0.000 0.518 400 T N 0.741 115.290 114.554 -0.008 0.000 2.746 400 T HA -0.168 4.197 4.350 0.024 0.000 0.267 400 T C 1.993 176.720 174.700 0.044 0.000 1.039 400 T CA 1.413 63.591 62.100 0.129 0.000 1.142 400 T CB -0.548 68.461 68.868 0.235 0.000 0.866 400 T HN 0.231 nan 8.240 nan 0.000 0.444 401 L N 0.328 121.534 121.223 -0.028 0.000 2.046 401 L HA -0.113 4.241 4.340 0.024 0.000 0.208 401 L C 2.857 179.700 176.870 -0.044 0.000 1.077 401 L CA 0.956 55.802 54.840 0.011 0.000 0.747 401 L CB -0.721 41.309 42.059 -0.049 0.000 0.896 401 L HN 0.385 nan 8.230 nan 0.000 0.432 402 C N -0.301 118.803 119.300 -0.327 0.000 2.435 402 C HA -0.126 4.348 4.460 0.024 0.000 0.279 402 C C 2.389 177.410 174.990 0.051 0.000 1.321 402 C CA 0.311 59.173 59.018 -0.261 0.000 1.752 402 C CB -0.782 26.687 27.740 -0.452 0.000 1.959 402 C HN 0.536 nan 8.230 nan 0.000 0.500 403 D N 0.513 120.951 120.400 0.063 0.000 2.117 403 D HA -0.086 4.568 4.640 0.024 0.000 0.197 403 D C 2.390 178.886 176.300 0.326 0.000 0.987 403 D CA 1.168 55.283 54.000 0.192 0.000 0.829 403 D CB -0.315 40.561 40.800 0.127 0.000 0.961 403 D HN 0.534 nan 8.370 nan 0.000 0.460 404 R N -1.109 119.479 120.500 0.147 0.000 2.140 404 R HA 0.053 4.408 4.340 0.024 0.000 0.213 404 R C 1.944 178.199 176.300 -0.074 0.000 1.059 404 R CA 0.379 56.499 56.100 0.033 0.000 1.000 404 R CB -0.037 30.205 30.300 -0.096 0.000 0.910 404 R HN 0.260 nan 8.270 nan 0.000 0.455 405 Y N 0.010 120.317 120.300 0.010 0.000 2.448 405 Y HA 0.186 4.750 4.550 0.023 0.000 0.289 405 Y C 0.964 176.794 175.900 -0.116 0.000 1.114 405 Y CA 0.719 58.798 58.100 -0.034 0.000 1.235 405 Y CB 0.780 39.193 38.460 -0.077 0.000 1.045 405 Y HN 0.205 nan 8.280 nan 0.000 0.554 406 G N 1.271 110.106 108.800 0.058 0.000 2.830 406 G HA2 -0.147 3.827 3.960 0.024 0.000 0.298 406 G HA3 -0.147 3.827 3.960 0.024 0.000 0.298 406 G C -1.188 173.568 174.900 -0.241 0.000 1.031 406 G CA -0.561 44.456 45.100 -0.139 0.000 1.179 406 G HN 0.161 nan 8.290 nan 0.000 0.527 407 L N 1.051 122.207 121.223 -0.112 0.000 2.455 407 L HA 0.496 4.851 4.340 0.024 0.000 0.264 407 L C -0.081 176.781 176.870 -0.014 0.000 0.968 407 L CA -1.288 53.440 54.840 -0.187 0.000 0.827 407 L CB 2.052 44.022 42.059 -0.149 0.000 1.317 407 L HN 0.471 nan 8.230 nan 0.000 0.407 408 Y N 1.800 122.225 120.300 0.208 0.000 2.377 408 Y HA 0.396 4.962 4.550 0.026 0.000 0.330 408 Y C 0.171 176.200 175.900 0.215 0.000 1.108 408 Y CA -0.660 57.597 58.100 0.263 0.000 1.308 408 Y CB 1.349 39.946 38.460 0.227 0.000 1.216 408 Y HN 0.149 nan 8.280 nan 0.000 0.518 409 V N 4.378 124.481 119.914 0.314 0.000 2.604 409 V HA 0.321 4.456 4.120 0.024 0.000 0.305 409 V C -0.612 175.562 176.094 0.135 0.000 1.043 409 V CA -1.014 61.411 62.300 0.209 0.000 0.888 409 V CB 1.951 33.862 31.823 0.148 0.000 0.995 409 V HN 0.450 nan 8.190 nan 0.000 0.429 410 V N 3.248 123.209 119.914 0.079 0.000 2.333 410 V HA 0.332 4.466 4.120 0.024 0.000 0.274 410 V C -0.308 175.823 176.094 0.061 0.000 1.028 410 V CA -0.365 61.935 62.300 0.000 0.000 0.851 410 V CB 1.433 33.154 31.823 -0.170 0.000 1.000 410 V HN 0.873 nan 8.190 nan 0.000 0.456 411 D N 4.209 124.686 120.400 0.128 0.000 2.249 411 D HA 0.313 4.967 4.640 0.024 0.000 0.246 411 D C -0.246 176.254 176.300 0.333 0.000 1.114 411 D CA -0.075 54.100 54.000 0.292 0.000 0.854 411 D CB 1.309 42.325 40.800 0.360 0.000 1.132 411 D HN 0.685 nan 8.370 nan 0.000 0.461 412 E N 1.943 122.300 120.200 0.261 0.000 2.199 412 E HA 0.607 4.971 4.350 0.024 0.000 0.265 412 E C -0.983 175.758 176.600 0.235 0.000 0.882 412 E CA -1.034 55.504 56.400 0.231 0.000 0.759 412 E CB 1.321 31.110 29.700 0.149 0.000 1.148 412 E HN 0.469 nan 8.360 nan 0.000 0.412 413 A N 3.935 126.886 122.820 0.218 0.000 2.483 413 A HA 0.026 4.360 4.320 0.024 0.000 0.238 413 A C 0.386 178.098 177.584 0.214 0.000 1.070 413 A CA -0.165 51.980 52.037 0.180 0.000 0.770 413 A CB 0.123 19.194 19.000 0.118 0.000 1.008 413 A HN 0.707 nan 8.150 nan 0.000 0.497 414 N N 1.290 120.123 118.700 0.222 0.000 3.103 414 N HA 0.224 4.979 4.740 0.024 0.000 0.305 414 N C -0.998 174.646 175.510 0.223 0.000 1.232 414 N CA 0.263 53.477 53.050 0.274 0.000 1.190 414 N CB -0.845 37.804 38.487 0.270 0.000 1.461 414 N HN 0.484 nan 8.380 nan 0.000 0.538 415 I N 0.986 121.682 120.570 0.210 0.000 2.468 415 I HA 0.270 4.454 4.170 0.024 0.000 0.285 415 I C -0.553 175.675 176.117 0.184 0.000 1.039 415 I CA -0.630 60.778 61.300 0.180 0.000 1.074 415 I CB 1.773 39.855 38.000 0.136 0.000 1.228 415 I HN 0.236 nan 8.210 nan 0.000 0.436 416 E N 4.392 124.696 120.200 0.173 0.000 2.294 416 E HA 0.321 4.685 4.350 0.024 0.000 0.272 416 E C -0.626 176.045 176.600 0.119 0.000 0.896 416 E CA -0.460 56.015 56.400 0.125 0.000 0.802 416 E CB 1.557 31.314 29.700 0.096 0.000 1.267 416 E HN 0.599 nan 8.360 nan 0.000 0.406 417 T N 0.712 115.329 114.554 0.105 0.000 3.374 417 T HA 0.160 4.524 4.350 0.024 0.000 0.267 417 T C 0.881 175.637 174.700 0.094 0.000 0.996 417 T CA -0.319 61.867 62.100 0.145 0.000 0.977 417 T CB -0.267 68.668 68.868 0.112 0.000 1.149 417 T HN 0.666 nan 8.240 nan 0.000 0.517 418 H N 1.172 120.163 119.070 -0.132 0.000 2.353 418 H HA -0.066 4.505 4.556 0.025 0.000 0.298 418 H C 2.316 177.529 175.328 -0.192 0.000 1.103 418 H CA 1.357 57.303 56.048 -0.171 0.000 1.293 418 H CB -0.220 29.408 29.762 -0.224 0.000 1.372 418 H HN 0.586 nan 8.280 nan 0.000 0.501 419 G N 0.291 108.951 108.800 -0.234 0.000 2.679 419 G HA2 -0.073 3.902 3.960 0.024 0.000 0.212 419 G HA3 -0.073 3.902 3.960 0.024 0.000 0.212 419 G C 0.525 175.554 174.900 0.215 0.000 1.137 419 G CA -0.064 44.933 45.100 -0.172 0.000 0.787 419 G HN 0.160 nan 8.290 nan 0.000 0.534 420 M N 0.153 119.916 119.600 0.272 0.000 2.198 420 M HA 0.347 4.841 4.480 0.024 0.000 0.315 420 M C -0.350 175.992 176.300 0.070 0.000 1.134 420 M CA -0.327 55.079 55.300 0.175 0.000 1.171 420 M CB 1.368 34.023 32.600 0.092 0.000 1.413 420 M HN -0.204 nan 8.290 nan 0.000 0.467 421 V N 3.283 123.214 119.914 0.028 0.000 2.488 421 V HA 0.361 4.495 4.120 0.024 0.000 0.293 421 V C -2.017 174.071 176.094 -0.009 0.000 1.027 421 V CA -1.258 61.044 62.300 0.004 0.000 0.862 421 V CB 1.762 33.581 31.823 -0.006 0.000 1.008 421 V HN 0.735 nan 8.190 nan 0.000 0.428 422 P HA 0.300 nan 4.420 nan 0.000 0.277 422 P C 1.040 178.344 177.300 0.008 0.000 1.271 422 P CA -0.592 62.506 63.100 -0.002 0.000 0.795 422 P CB 1.037 32.736 31.700 -0.001 0.000 1.101 423 M N 0.584 120.193 119.600 0.016 0.000 2.202 423 M HA -0.185 4.310 4.480 0.024 0.000 0.262 423 M C 1.165 177.489 176.300 0.040 0.000 1.063 423 M CA 1.906 57.225 55.300 0.031 0.000 1.097 423 M CB -0.455 32.152 32.600 0.011 0.000 1.382 423 M HN 0.386 nan 8.290 nan 0.000 0.413 424 N N -0.211 118.511 118.700 0.037 0.000 2.276 424 N HA -0.063 4.691 4.740 0.024 0.000 0.212 424 N C 1.135 176.629 175.510 -0.027 0.000 1.127 424 N CA 0.131 53.203 53.050 0.037 0.000 0.834 424 N CB -0.704 37.821 38.487 0.064 0.000 1.014 424 N HN 0.356 nan 8.380 nan 0.000 0.491 425 R N 0.474 120.946 120.500 -0.047 0.000 2.103 425 R HA -0.031 4.323 4.340 0.024 0.000 0.242 425 R C 1.391 177.600 176.300 -0.151 0.000 1.142 425 R CA 1.434 57.484 56.100 -0.084 0.000 0.960 425 R CB -0.061 30.186 30.300 -0.088 0.000 0.858 425 R HN 0.295 nan 8.270 nan 0.000 0.439 426 L N -0.623 120.454 121.223 -0.245 0.000 2.202 426 L HA -0.001 4.354 4.340 0.024 0.000 0.205 426 L C 2.463 179.215 176.870 -0.197 0.000 1.083 426 L CA 1.275 55.864 54.840 -0.418 0.000 0.790 426 L CB -0.493 41.061 42.059 -0.841 0.000 0.942 426 L HN 0.354 nan 8.230 nan 0.000 0.452 427 T N -4.332 110.131 114.554 -0.151 0.000 3.035 427 T HA -0.153 4.211 4.350 0.024 0.000 0.268 427 T C 1.255 175.865 174.700 -0.151 0.000 1.109 427 T CA 1.087 63.075 62.100 -0.187 0.000 1.119 427 T CB -0.213 68.487 68.868 -0.279 0.000 0.900 427 T HN 0.097 nan 8.240 nan 0.000 0.503 428 D N 1.137 121.484 120.400 -0.087 0.000 2.349 428 D HA 0.106 4.760 4.640 0.024 0.000 0.214 428 D C -0.319 175.964 176.300 -0.029 0.000 1.063 428 D CA -0.219 53.741 54.000 -0.067 0.000 0.847 428 D CB -0.093 40.677 40.800 -0.050 0.000 0.933 428 D HN 0.311 nan 8.370 nan 0.000 0.513 429 D N -0.086 120.315 120.400 0.002 0.000 2.329 429 D HA 0.132 4.786 4.640 0.024 0.000 0.232 429 D C -1.657 174.698 176.300 0.091 0.000 1.088 429 D CA -2.201 51.839 54.000 0.066 0.000 0.835 429 D CB 2.107 42.991 40.800 0.140 0.000 1.078 429 D HN -0.033 nan 8.370 nan 0.000 0.495 430 P HA -0.117 nan 4.420 nan 0.000 0.222 430 P C 0.938 178.235 177.300 -0.005 0.000 1.147 430 P CA 0.745 63.852 63.100 0.011 0.000 0.790 430 P CB 0.327 32.024 31.700 -0.005 0.000 0.780 431 R N -1.777 118.727 120.500 0.007 0.000 2.237 431 R HA -0.068 4.286 4.340 0.024 0.000 0.219 431 R C 1.532 177.687 176.300 -0.242 0.000 1.080 431 R CA 1.072 57.108 56.100 -0.106 0.000 0.995 431 R CB -0.558 29.671 30.300 -0.119 0.000 0.875 431 R HN 0.325 nan 8.270 nan 0.000 0.462 432 W N -0.046 121.203 121.300 -0.086 0.000 3.220 432 W HA 0.144 4.818 4.660 0.023 0.000 0.328 432 W C 1.506 177.969 176.519 -0.094 0.000 1.205 432 W CA -0.521 56.772 57.345 -0.086 0.000 1.773 432 W CB 0.065 29.473 29.460 -0.088 0.000 1.086 432 W HN 0.001 nan 8.180 nan 0.000 0.622 433 L N 2.235 123.474 121.223 0.026 0.000 2.012 433 L HA -0.069 4.285 4.340 0.024 0.000 0.210 433 L C -0.686 176.143 176.870 -0.068 0.000 1.073 433 L CA 2.323 57.146 54.840 -0.029 0.000 0.748 433 L CB -1.663 40.371 42.059 -0.042 0.000 0.891 433 L HN -0.233 nan 8.230 nan 0.000 0.431 434 P HA -0.142 nan 4.420 nan 0.000 0.214 434 P C 1.616 178.854 177.300 -0.103 0.000 1.163 434 P CA 2.205 65.235 63.100 -0.116 0.000 0.883 434 P CB -0.266 31.355 31.700 -0.131 0.000 0.788 435 A N -1.100 121.665 122.820 -0.092 0.000 1.933 435 A HA -0.185 4.149 4.320 0.024 0.000 0.218 435 A C 2.249 179.844 177.584 0.019 0.000 1.175 435 A CA 1.909 53.927 52.037 -0.031 0.000 0.628 435 A CB -1.465 17.526 19.000 -0.015 0.000 0.814 435 A HN 0.114 nan 8.150 nan 0.000 0.444 436 M N 0.053 119.673 119.600 0.034 0.000 2.156 436 M HA -0.128 4.366 4.480 0.024 0.000 0.264 436 M C 2.548 178.800 176.300 -0.081 0.000 1.067 436 M CA 1.618 56.921 55.300 0.005 0.000 1.131 436 M CB -0.297 32.292 32.600 -0.019 0.000 1.368 436 M HN 0.657 nan 8.290 nan 0.000 0.416 437 S N 0.408 116.028 115.700 -0.133 0.000 2.370 437 S HA -0.194 4.290 4.470 0.024 0.000 0.226 437 S C 1.599 176.033 174.600 -0.276 0.000 1.033 437 S CA 1.505 59.559 58.200 -0.242 0.000 1.011 437 S CB -0.629 62.405 63.200 -0.277 0.000 0.852 437 S HN 0.515 nan 8.310 nan 0.000 0.457 438 E N 1.055 121.139 120.200 -0.193 0.000 2.160 438 E HA -0.141 4.224 4.350 0.024 0.000 0.195 438 E C 2.427 178.941 176.600 -0.143 0.000 0.991 438 E CA 1.150 57.446 56.400 -0.174 0.000 0.810 438 E CB -0.156 29.478 29.700 -0.111 0.000 0.742 438 E HN 0.584 nan 8.360 nan 0.000 0.466 439 R N 0.006 120.452 120.500 -0.089 0.000 2.115 439 R HA -0.072 4.283 4.340 0.024 0.000 0.230 439 R C 2.287 178.546 176.300 -0.068 0.000 1.111 439 R CA 0.722 56.800 56.100 -0.036 0.000 0.976 439 R CB 0.018 30.338 30.300 0.034 0.000 0.870 439 R HN 0.021 nan 8.270 nan 0.000 0.445 440 V N 0.160 119.989 119.914 -0.141 0.000 2.331 440 V HA -0.184 3.951 4.120 0.024 0.000 0.242 440 V C 2.478 178.396 176.094 -0.295 0.000 1.034 440 V CA 2.151 64.346 62.300 -0.175 0.000 1.027 440 V CB -0.369 31.344 31.823 -0.183 0.000 0.667 440 V HN 0.521 nan 8.190 nan 0.000 0.457 441 T N -0.776 113.483 114.554 -0.492 0.000 2.788 441 T HA -0.242 4.123 4.350 0.024 0.000 0.268 441 T C 1.918 176.446 174.700 -0.286 0.000 1.044 441 T CA 1.436 63.147 62.100 -0.648 0.000 1.139 441 T CB -0.405 67.882 68.868 -0.968 0.000 0.867 441 T HN 0.394 nan 8.240 nan 0.000 0.454 442 R N 0.135 120.499 120.500 -0.227 0.000 2.189 442 R HA 0.256 4.610 4.340 0.024 0.000 0.218 442 R C 2.590 178.811 176.300 -0.132 0.000 1.074 442 R CA 1.153 57.158 56.100 -0.158 0.000 0.991 442 R CB -0.401 29.815 30.300 -0.139 0.000 0.883 442 R HN 0.502 nan 8.270 nan 0.000 0.457 443 M N 0.440 119.968 119.600 -0.120 0.000 2.123 443 M HA -0.119 4.375 4.480 0.024 0.000 0.263 443 M C 1.806 178.035 176.300 -0.118 0.000 1.069 443 M CA 1.592 56.853 55.300 -0.064 0.000 1.133 443 M CB 0.118 32.720 32.600 0.004 0.000 1.356 443 M HN -0.036 nan 8.290 nan 0.000 0.415 444 V N 1.222 120.950 119.914 -0.309 0.000 2.332 444 V HA -0.298 3.837 4.120 0.024 0.000 0.248 444 V C 2.290 178.284 176.094 -0.165 0.000 1.055 444 V CA 2.043 64.041 62.300 -0.504 0.000 1.038 444 V CB -0.947 30.544 31.823 -0.554 0.000 0.651 444 V HN 0.599 nan 8.190 nan 0.000 0.450 445 Q N -0.780 118.956 119.800 -0.107 0.000 2.226 445 Q HA -0.208 4.147 4.340 0.024 0.000 0.204 445 Q C 2.444 178.369 176.000 -0.125 0.000 0.975 445 Q CA 1.349 57.099 55.803 -0.087 0.000 0.866 445 Q CB -0.144 28.556 28.738 -0.063 0.000 0.915 445 Q HN 0.538 nan 8.270 nan 0.000 0.440 446 R N 0.286 120.706 120.500 -0.134 0.000 2.090 446 R HA -0.074 4.281 4.340 0.024 0.000 0.219 446 R C 0.553 176.795 176.300 -0.097 0.000 1.100 446 R CA 1.165 57.166 56.100 -0.166 0.000 0.991 446 R CB 0.454 30.654 30.300 -0.166 0.000 0.893 446 R HN 0.132 nan 8.270 nan 0.000 0.443 447 D N -0.181 120.223 120.400 0.008 0.000 2.369 447 D HA -0.003 4.651 4.640 0.024 0.000 0.211 447 D C 1.322 177.740 176.300 0.197 0.000 1.077 447 D CA 0.126 54.179 54.000 0.088 0.000 0.842 447 D CB 0.286 41.085 40.800 -0.002 0.000 0.947 447 D HN 0.352 nan 8.370 nan 0.000 0.509 448 R N 0.552 121.176 120.500 0.206 0.000 2.241 448 R HA 0.019 4.373 4.340 0.024 0.000 0.224 448 R C 0.759 177.069 176.300 0.017 0.000 1.101 448 R CA 0.829 57.062 56.100 0.221 0.000 0.995 448 R CB -0.266 30.106 30.300 0.119 0.000 0.870 448 R HN -0.073 nan 8.270 nan 0.000 0.463 449 N N 0.358 118.997 118.700 -0.102 0.000 2.336 449 N HA -0.007 4.747 4.740 0.024 0.000 0.189 449 N C -0.465 174.923 175.510 -0.204 0.000 1.113 449 N CA 0.277 53.234 53.050 -0.156 0.000 0.858 449 N CB 0.069 38.449 38.487 -0.178 0.000 0.970 449 N HN 0.289 nan 8.380 nan 0.000 0.471 450 H N 1.589 120.603 119.070 -0.093 0.000 2.800 450 H HA 0.095 4.665 4.556 0.023 0.000 0.291 450 H C -1.152 174.030 175.328 -0.243 0.000 1.076 450 H CA -1.256 54.717 56.048 -0.124 0.000 1.452 450 H CB 1.512 31.233 29.762 -0.068 0.000 1.461 450 H HN 0.062 nan 8.280 nan 0.000 0.488 451 P HA -0.165 nan 4.420 nan 0.000 0.218 451 P C 1.431 178.270 177.300 -0.768 0.000 1.149 451 P CA 1.191 63.939 63.100 -0.586 0.000 0.817 451 P CB 0.288 31.416 31.700 -0.953 0.000 0.785 452 S N -0.659 114.695 115.700 -0.575 0.000 2.419 452 S HA -0.056 4.428 4.470 0.024 0.000 0.233 452 S C 1.149 175.724 174.600 -0.042 0.000 1.016 452 S CA 0.448 58.494 58.200 -0.257 0.000 0.974 452 S CB -1.562 61.622 63.200 -0.027 0.000 0.786 452 S HN -0.046 nan 8.310 nan 0.000 0.492 453 V N 3.680 123.540 119.914 -0.091 0.000 2.439 453 V HA 0.215 4.350 4.120 0.024 0.000 0.271 453 V C 1.146 177.105 176.094 -0.225 0.000 1.040 453 V CA 0.054 62.266 62.300 -0.147 0.000 1.002 453 V CB 0.379 32.018 31.823 -0.307 0.000 1.000 453 V HN 0.631 nan 8.190 nan 0.000 0.477 454 I N 2.693 123.187 120.570 -0.126 0.000 4.187 454 I HA 0.505 4.689 4.170 0.024 0.000 0.326 454 I C 0.382 176.387 176.117 -0.186 0.000 1.302 454 I CA 0.521 61.755 61.300 -0.110 0.000 1.196 454 I CB 0.483 38.499 38.000 0.028 0.000 1.095 454 I HN 0.325 nan 8.210 nan 0.000 0.411 455 I N 0.029 120.466 120.570 -0.222 0.000 2.752 455 I HA 0.363 4.547 4.170 0.024 0.000 0.295 455 I C -1.597 174.425 176.117 -0.160 0.000 1.219 455 I CA -0.387 60.825 61.300 -0.147 0.000 1.030 455 I CB 2.181 40.188 38.000 0.011 0.000 1.259 455 I HN 0.019 nan 8.210 nan 0.000 0.423 456 W N 3.583 124.934 121.300 0.086 0.000 2.512 456 W HA 0.651 5.323 4.660 0.020 0.000 0.335 456 W C 0.319 176.905 176.519 0.112 0.000 1.088 456 W CA -0.665 56.737 57.345 0.094 0.000 1.236 456 W CB 1.791 31.302 29.460 0.086 0.000 1.307 456 W HN 0.305 nan 8.180 nan 0.000 0.567 457 S N 2.349 118.291 115.700 0.404 0.000 2.500 457 S HA 0.407 4.891 4.470 0.024 0.000 0.301 457 S C 0.177 174.948 174.600 0.286 0.000 1.092 457 S CA -0.701 57.681 58.200 0.303 0.000 1.030 457 S CB 0.812 64.145 63.200 0.221 0.000 1.031 457 S HN 0.571 nan 8.310 nan 0.000 0.483 458 L N 4.106 125.492 121.223 0.272 0.000 2.610 458 L HA 0.357 4.712 4.340 0.024 0.000 0.232 458 L C 1.391 178.334 176.870 0.121 0.000 1.149 458 L CA 0.471 55.390 54.840 0.131 0.000 0.872 458 L CB -1.168 40.860 42.059 -0.051 0.000 0.992 458 L HN 0.994 nan 8.230 nan 0.000 0.447 459 G N 0.022 108.978 108.800 0.260 0.000 2.265 459 G HA2 -0.132 3.842 3.960 0.024 0.000 0.246 459 G HA3 -0.132 3.842 3.960 0.024 0.000 0.246 459 G C -1.629 173.476 174.900 0.343 0.000 1.299 459 G CA -0.557 44.704 45.100 0.269 0.000 1.117 459 G HN 0.177 nan 8.290 nan 0.000 0.485 460 N N 0.124 118.969 118.700 0.243 0.000 2.331 460 N HA 0.479 5.233 4.740 0.024 0.000 0.280 460 N C -0.437 175.048 175.510 -0.041 0.000 1.155 460 N CA 0.112 53.170 53.050 0.014 0.000 0.822 460 N CB 1.640 39.884 38.487 -0.406 0.000 1.619 460 N HN 0.884 nan 8.380 nan 0.000 0.476 461 E N 0.567 120.647 120.200 -0.200 0.000 2.160 461 E HA -0.178 4.186 4.350 0.024 0.000 0.180 461 E C -0.823 175.701 176.600 -0.127 0.000 1.452 461 E CA 0.756 56.953 56.400 -0.338 0.000 0.683 461 E CB -1.270 27.990 29.700 -0.734 0.000 1.072 461 E HN 0.424 nan 8.360 nan 0.000 0.332 462 S N 0.021 115.789 115.700 0.113 0.000 2.941 462 S HA 0.394 4.878 4.470 0.024 0.000 0.251 462 S C 0.641 175.416 174.600 0.292 0.000 1.029 462 S CA -0.142 58.189 58.200 0.219 0.000 1.062 462 S CB 1.373 64.763 63.200 0.317 0.000 0.977 462 S HN 0.837 nan 8.310 nan 0.000 0.552 463 G N 1.993 110.888 108.800 0.158 0.000 2.598 463 G HA2 -0.264 3.710 3.960 0.024 0.000 0.269 463 G HA3 -0.264 3.710 3.960 0.024 0.000 0.269 463 G C -0.510 174.603 174.900 0.355 0.000 1.289 463 G CA -0.066 45.134 45.100 0.167 0.000 0.926 463 G HN 0.635 nan 8.290 nan 0.000 0.567 464 H N 0.440 119.644 119.070 0.224 0.000 2.823 464 H HA 0.580 5.150 4.556 0.023 0.000 0.332 464 H C 0.240 175.743 175.328 0.292 0.000 0.980 464 H CA 0.031 56.258 56.048 0.299 0.000 1.286 464 H CB 0.871 30.735 29.762 0.172 0.000 1.541 464 H HN 1.133 nan 8.280 nan 0.000 0.521 465 G N 1.416 110.228 108.800 0.021 0.000 2.658 465 G HA2 0.459 4.433 3.960 0.024 0.000 0.292 465 G HA3 0.459 4.433 3.960 0.024 0.000 0.292 465 G C 0.506 175.230 174.900 -0.294 0.000 1.320 465 G CA -0.155 44.825 45.100 -0.199 0.000 0.933 465 G HN 0.657 nan 8.290 nan 0.000 0.476 466 A N 0.237 122.943 122.820 -0.189 0.000 2.024 466 A HA -0.094 4.240 4.320 0.024 0.000 0.220 466 A C 2.132 179.678 177.584 -0.062 0.000 1.164 466 A CA 1.963 53.941 52.037 -0.099 0.000 0.643 466 A CB -0.457 18.514 19.000 -0.049 0.000 0.806 466 A HN 0.533 nan 8.150 nan 0.000 0.451 467 N N -0.222 118.402 118.700 -0.126 0.000 2.149 467 N HA -0.155 4.600 4.740 0.024 0.000 0.188 467 N C 1.399 176.836 175.510 -0.122 0.000 1.019 467 N CA 1.768 54.734 53.050 -0.139 0.000 0.857 467 N CB -0.697 37.671 38.487 -0.199 0.000 0.997 467 N HN 0.788 nan 8.380 nan 0.000 0.426 468 H N 0.336 119.377 119.070 -0.049 0.000 2.353 468 H HA -0.038 4.532 4.556 0.023 0.000 0.300 468 H C 1.278 176.675 175.328 0.115 0.000 1.090 468 H CA 1.330 57.365 56.048 -0.021 0.000 1.327 468 H CB 0.137 29.895 29.762 -0.005 0.000 1.383 468 H HN 0.205 nan 8.280 nan 0.000 0.508 469 D N 0.352 120.905 120.400 0.254 0.000 2.117 469 D HA -0.131 4.524 4.640 0.024 0.000 0.197 469 D C 2.327 178.778 176.300 0.252 0.000 0.987 469 D CA 1.154 55.313 54.000 0.265 0.000 0.829 469 D CB -0.420 40.507 40.800 0.211 0.000 0.961 469 D HN 0.426 nan 8.370 nan 0.000 0.460 470 A N 1.034 123.949 122.820 0.158 0.000 1.883 470 A HA -0.147 4.187 4.320 0.024 0.000 0.217 470 A C 2.436 180.128 177.584 0.180 0.000 1.186 470 A CA 1.084 53.205 52.037 0.139 0.000 0.624 470 A CB -0.843 18.195 19.000 0.064 0.000 0.822 470 A HN 0.208 nan 8.150 nan 0.000 0.444 471 L N -2.180 119.133 121.223 0.150 0.000 2.141 471 L HA -0.153 4.202 4.340 0.024 0.000 0.209 471 L C 2.586 179.594 176.870 0.230 0.000 1.094 471 L CA 1.566 56.495 54.840 0.149 0.000 0.763 471 L CB -0.734 41.344 42.059 0.033 0.000 0.908 471 L HN 0.602 nan 8.230 nan 0.000 0.437 472 Y N 1.434 121.821 120.300 0.145 0.000 2.128 472 Y HA -0.334 4.225 4.550 0.016 0.000 0.284 472 Y C 2.851 178.835 175.900 0.140 0.000 1.154 472 Y CA 1.905 60.093 58.100 0.147 0.000 1.149 472 Y CB -0.172 38.378 38.460 0.149 0.000 0.976 472 Y HN -0.026 nan 8.280 nan 0.000 0.505 473 R N -0.240 120.353 120.500 0.156 0.000 2.092 473 R HA -0.192 4.162 4.340 0.024 0.000 0.231 473 R C 2.049 178.354 176.300 0.008 0.000 1.119 473 R CA 1.860 57.987 56.100 0.046 0.000 0.970 473 R CB -1.428 28.982 30.300 0.183 0.000 0.864 473 R HN 0.632 nan 8.270 nan 0.000 0.440 474 W N 0.644 121.902 121.300 -0.070 0.000 2.333 474 W HA -0.172 4.503 4.660 0.026 0.000 0.316 474 W C 1.636 178.063 176.519 -0.153 0.000 1.215 474 W CA 2.195 59.484 57.345 -0.094 0.000 1.278 474 W CB -0.293 29.115 29.460 -0.087 0.000 1.154 474 W HN 0.085 nan 8.180 nan 0.000 0.486 475 I N 0.775 121.341 120.570 -0.006 0.000 2.179 475 I HA -0.357 3.827 4.170 0.024 0.000 0.242 475 I C 2.445 178.355 176.117 -0.345 0.000 1.088 475 I CA 1.451 62.585 61.300 -0.276 0.000 1.357 475 I CB -0.791 37.113 38.000 -0.159 0.000 1.051 475 I HN -0.083 nan 8.210 nan 0.000 0.409 476 K N 0.417 120.625 120.400 -0.320 0.000 2.152 476 K HA -0.169 4.165 4.320 0.024 0.000 0.206 476 K C 2.279 178.738 176.600 -0.236 0.000 1.048 476 K CA 1.681 57.804 56.287 -0.273 0.000 0.933 476 K CB -0.514 31.779 32.500 -0.345 0.000 0.721 476 K HN 0.310 nan 8.250 nan 0.000 0.447 477 S N 1.107 116.633 115.700 -0.290 0.000 2.395 477 S HA -0.079 4.405 4.470 0.024 0.000 0.225 477 S C 2.074 176.461 174.600 -0.356 0.000 1.027 477 S CA 1.067 59.104 58.200 -0.271 0.000 0.965 477 S CB -0.148 62.907 63.200 -0.241 0.000 0.812 477 S HN 0.170 nan 8.310 nan 0.000 0.482 478 V N -0.841 118.716 119.914 -0.595 0.000 2.788 478 V HA 0.277 4.411 4.120 0.024 0.000 0.251 478 V C 0.336 176.205 176.094 -0.376 0.000 1.068 478 V CA 1.416 63.361 62.300 -0.592 0.000 1.090 478 V CB -0.462 30.759 31.823 -1.003 0.000 0.710 478 V HN 0.460 nan 8.190 nan 0.000 0.467 479 D N 0.424 120.649 120.400 -0.292 0.000 2.364 479 D HA 0.386 5.040 4.640 0.024 0.000 0.251 479 D C -2.258 174.030 176.300 -0.020 0.000 1.282 479 D CA -1.713 52.226 54.000 -0.102 0.000 0.927 479 D CB 1.692 42.511 40.800 0.030 0.000 1.267 479 D HN 0.164 nan 8.370 nan 0.000 0.531 480 P HA -0.034 nan 4.420 nan 0.000 0.237 480 P C 1.171 178.489 177.300 0.030 0.000 1.178 480 P CA 0.449 63.542 63.100 -0.011 0.000 0.766 480 P CB 0.157 31.844 31.700 -0.020 0.000 0.876 481 S N -1.304 114.423 115.700 0.045 0.000 2.522 481 S HA 0.047 4.531 4.470 0.024 0.000 0.227 481 S C 0.915 175.540 174.600 0.042 0.000 0.986 481 S CA -0.038 58.192 58.200 0.051 0.000 0.929 481 S CB -0.362 62.862 63.200 0.040 0.000 0.769 481 S HN 0.054 nan 8.310 nan 0.000 0.529 482 R N 1.147 121.683 120.500 0.061 0.000 2.628 482 R HA 0.556 4.910 4.340 0.024 0.000 0.288 482 R C -3.135 173.216 176.300 0.085 0.000 0.980 482 R CA -2.294 53.807 56.100 0.002 0.000 0.891 482 R CB 1.605 31.779 30.300 -0.208 0.000 1.188 482 R HN 0.165 nan 8.270 nan 0.000 0.450 483 P HA 0.098 nan 4.420 nan 0.000 0.272 483 P C -0.833 176.577 177.300 0.183 0.000 1.240 483 P CA -0.398 62.768 63.100 0.111 0.000 0.791 483 P CB 0.661 32.412 31.700 0.085 0.000 0.978 484 V N 1.608 121.660 119.914 0.230 0.000 2.555 484 V HA 0.437 4.571 4.120 0.024 0.000 0.302 484 V C 0.128 176.413 176.094 0.319 0.000 1.038 484 V CA -0.347 62.139 62.300 0.309 0.000 0.887 484 V CB 1.271 33.249 31.823 0.259 0.000 0.991 484 V HN 0.617 nan 8.190 nan 0.000 0.434 485 Q N 3.545 123.514 119.800 0.282 0.000 2.433 485 Q HA 0.804 5.159 4.340 0.024 0.000 0.279 485 Q C -1.889 174.279 176.000 0.280 0.000 1.105 485 Q CA -0.913 55.020 55.803 0.217 0.000 0.815 485 Q CB 2.977 31.788 28.738 0.122 0.000 1.403 485 Q HN 0.650 nan 8.270 nan 0.000 0.435 486 Y N 0.307 120.623 120.300 0.028 0.000 2.357 486 Y HA 0.148 4.711 4.550 0.022 0.000 0.319 486 Y C -0.619 175.227 175.900 -0.089 0.000 1.225 486 Y CA -0.748 57.334 58.100 -0.029 0.000 1.095 486 Y CB 2.065 40.498 38.460 -0.046 0.000 1.302 486 Y HN 0.954 nan 8.280 nan 0.000 0.429 487 E N 3.321 123.008 120.200 -0.855 0.000 2.400 487 E HA 0.150 4.514 4.350 0.024 0.000 0.195 487 E C 0.588 176.746 176.600 -0.737 0.000 1.012 487 E CA 0.663 56.686 56.400 -0.627 0.000 0.875 487 E CB 0.311 29.781 29.700 -0.382 0.000 0.859 487 E HN 0.874 nan 8.360 nan 0.000 0.498 488 G N -0.284 107.681 108.800 -1.392 0.000 2.554 488 G HA2 0.284 4.258 3.960 0.024 0.000 0.238 488 G HA3 0.284 4.258 3.960 0.024 0.000 0.238 488 G C 0.785 175.546 174.900 -0.232 0.000 1.259 488 G CA 0.228 44.937 45.100 -0.653 0.000 0.843 488 G HN 0.316 nan 8.290 nan 0.000 0.582 489 G N -0.824 107.947 108.800 -0.049 0.000 2.143 489 G HA2 0.236 4.210 3.960 0.024 0.000 0.248 489 G HA3 0.236 4.210 3.960 0.024 0.000 0.248 489 G C 1.236 176.153 174.900 0.030 0.000 0.991 489 G CA 0.977 46.114 45.100 0.061 0.000 0.689 489 G HN 2.610 nan 8.290 nan 0.000 0.522 490 G N -1.418 107.390 108.800 0.013 0.000 2.192 490 G HA2 0.447 4.421 3.960 0.024 0.000 0.193 490 G HA3 0.447 4.421 3.960 0.024 0.000 0.193 490 G C 1.025 176.060 174.900 0.226 0.000 0.999 490 G CA 1.287 46.461 45.100 0.122 0.000 0.659 490 G HN 2.344 nan 8.290 nan 0.000 0.503 491 A N -0.247 122.589 122.820 0.028 0.000 3.661 491 A HA -0.147 4.187 4.320 0.024 0.000 0.269 491 A C 1.155 178.683 177.584 -0.094 0.000 1.056 491 A CA 2.652 54.643 52.037 -0.077 0.000 1.159 491 A CB -1.742 17.181 19.000 -0.130 0.000 1.105 491 A HN 2.109 nan 8.150 nan 0.000 0.907 492 D N -0.748 119.684 120.400 0.053 0.000 2.692 492 D HA 0.310 4.964 4.640 0.024 0.000 0.290 492 D C 0.449 176.751 176.300 0.003 0.000 1.455 492 D CA 0.896 54.928 54.000 0.052 0.000 0.796 492 D CB -1.165 39.816 40.800 0.303 0.000 1.131 492 D HN 0.848 nan 8.370 nan 0.000 0.467 493 T N -2.236 112.254 114.554 -0.107 0.000 2.652 493 T HA 0.158 4.522 4.350 0.024 0.000 0.319 493 T C 1.601 176.160 174.700 -0.235 0.000 1.029 493 T CA 0.602 62.560 62.100 -0.236 0.000 0.990 493 T CB 0.677 69.181 68.868 -0.605 0.000 1.098 493 T HN 0.089 nan 8.240 nan 0.000 0.520 494 T N -2.673 111.718 114.554 -0.272 0.000 3.160 494 T HA 0.259 4.623 4.350 0.024 0.000 0.257 494 T C 1.483 175.925 174.700 -0.430 0.000 1.147 494 T CA 0.239 62.199 62.100 -0.233 0.000 1.064 494 T CB -0.440 68.378 68.868 -0.083 0.000 0.949 494 T HN 0.834 nan 8.240 nan 0.000 0.526 495 A N 0.484 123.069 122.820 -0.391 0.000 2.460 495 A HA 0.528 4.862 4.320 0.024 0.000 0.258 495 A C 0.761 178.180 177.584 -0.274 0.000 1.300 495 A CA -0.341 51.451 52.037 -0.409 0.000 0.913 495 A CB 0.045 19.088 19.000 0.071 0.000 1.031 495 A HN 0.421 nan 8.150 nan 0.000 0.512 496 T N -1.452 112.939 114.554 -0.271 0.000 2.952 496 T HA 0.366 4.730 4.350 0.024 0.000 0.305 496 T C -0.563 174.141 174.700 0.006 0.000 1.064 496 T CA -0.432 61.655 62.100 -0.022 0.000 1.008 496 T CB 1.260 70.122 68.868 -0.010 0.000 1.078 496 T HN 0.086 nan 8.240 nan 0.000 0.459 497 D N 2.767 123.260 120.400 0.154 0.000 2.323 497 D HA 0.254 4.908 4.640 0.024 0.000 0.209 497 D C 0.372 176.702 176.300 0.051 0.000 0.973 497 D CA 0.769 54.850 54.000 0.134 0.000 0.874 497 D CB 0.393 41.310 40.800 0.196 0.000 0.930 497 D HN 0.535 nan 8.370 nan 0.000 0.521 498 I N 0.939 121.522 120.570 0.021 0.000 2.545 498 I HA 0.246 4.431 4.170 0.024 0.000 0.292 498 I C -0.201 175.850 176.117 -0.110 0.000 1.040 498 I CA -0.908 60.370 61.300 -0.036 0.000 1.068 498 I CB 2.806 40.798 38.000 -0.014 0.000 1.251 498 I HN -0.349 nan 8.210 nan 0.000 0.424 499 I N 5.777 126.234 120.570 -0.188 0.000 2.505 499 I HA 0.020 4.204 4.170 0.024 0.000 0.287 499 I C 0.262 176.166 176.117 -0.354 0.000 1.104 499 I CA 0.092 61.179 61.300 -0.355 0.000 1.387 499 I CB 0.095 37.777 38.000 -0.529 0.000 1.404 499 I HN 0.672 nan 8.210 nan 0.000 0.528 500 C N 5.853 124.958 119.300 -0.324 0.000 3.401 500 C HA 0.497 4.971 4.460 0.024 0.000 0.204 500 C C -2.177 172.672 174.990 -0.234 0.000 1.522 500 C CA -2.241 56.641 59.018 -0.226 0.000 1.409 500 C CB -0.849 26.819 27.740 -0.119 0.000 1.967 500 C HN 0.416 nan 8.230 nan 0.000 0.496 501 P HA 0.362 nan 4.420 nan 0.000 0.274 501 P C -0.470 176.773 177.300 -0.096 0.000 1.256 501 P CA 0.140 63.133 63.100 -0.178 0.000 0.795 501 P CB 0.805 32.405 31.700 -0.167 0.000 1.038 502 M N -0.140 119.427 119.600 -0.055 0.000 2.181 502 M HA 0.446 4.940 4.480 0.024 0.000 0.323 502 M C -0.829 175.428 176.300 -0.071 0.000 1.004 502 M CA -0.691 54.470 55.300 -0.233 0.000 0.941 502 M CB 1.105 33.557 32.600 -0.248 0.000 1.579 502 M HN 0.325 nan 8.290 nan 0.000 0.427 503 Y N -0.278 120.200 120.300 0.296 0.000 4.272 503 Y HA -0.214 4.351 4.550 0.025 0.000 0.232 503 Y C 0.504 176.587 175.900 0.305 0.000 1.149 503 Y CA 0.415 58.695 58.100 0.301 0.000 1.961 503 Y CB -2.257 36.358 38.460 0.259 0.000 1.611 503 Y HN 0.967 nan 8.280 nan 0.000 0.682 504 A N 1.179 124.213 122.820 0.357 0.000 2.440 504 A HA 0.566 4.900 4.320 0.024 0.000 0.251 504 A C 0.736 178.556 177.584 0.394 0.000 1.089 504 A CA -0.440 51.819 52.037 0.370 0.000 0.779 504 A CB 0.403 19.651 19.000 0.413 0.000 1.022 504 A HN 0.417 nan 8.150 nan 0.000 0.492 505 R N 1.503 122.171 120.500 0.279 0.000 2.546 505 R HA 0.333 4.687 4.340 0.024 0.000 0.266 505 R C 0.974 177.269 176.300 -0.008 0.000 1.086 505 R CA -0.734 55.467 56.100 0.168 0.000 1.160 505 R CB 0.627 30.987 30.300 0.100 0.000 1.138 505 R HN 0.493 nan 8.270 nan 0.000 0.567 506 V N 0.660 120.406 119.914 -0.280 0.000 2.283 506 V HA -0.193 3.941 4.120 0.024 0.000 0.243 506 V C 1.022 177.013 176.094 -0.171 0.000 1.039 506 V CA 1.853 63.952 62.300 -0.336 0.000 1.016 506 V CB -0.244 31.259 31.823 -0.534 0.000 0.650 506 V HN 0.738 nan 8.190 nan 0.000 0.449 507 D N -1.401 118.927 120.400 -0.119 0.000 2.454 507 D HA 0.104 4.758 4.640 0.024 0.000 0.219 507 D C 0.893 177.185 176.300 -0.014 0.000 1.081 507 D CA 0.085 54.050 54.000 -0.059 0.000 0.867 507 D CB 0.748 41.515 40.800 -0.055 0.000 1.054 507 D HN 0.474 nan 8.370 nan 0.000 0.500 508 E N 1.720 121.917 120.200 -0.006 0.000 2.197 508 E HA 0.121 4.485 4.350 0.024 0.000 0.281 508 E C -0.862 175.746 176.600 0.013 0.000 0.995 508 E CA -0.598 55.805 56.400 0.005 0.000 0.808 508 E CB 1.065 30.768 29.700 0.004 0.000 1.093 508 E HN -0.189 nan 8.360 nan 0.000 0.394 509 D N 3.411 123.816 120.400 0.008 0.000 2.313 509 D HA 0.142 4.797 4.640 0.024 0.000 0.247 509 D C -0.619 175.573 176.300 -0.179 0.000 1.094 509 D CA 0.105 54.096 54.000 -0.016 0.000 0.925 509 D CB 1.243 42.092 40.800 0.081 0.000 1.188 509 D HN 0.398 nan 8.370 nan 0.000 0.430 510 Q N 1.434 121.009 119.800 -0.374 0.000 2.932 510 Q HA 0.238 4.593 4.340 0.024 0.000 0.248 510 Q C -2.188 173.204 176.000 -1.014 0.000 0.982 510 Q CA -1.498 53.879 55.803 -0.711 0.000 0.730 510 Q CB 2.224 30.529 28.738 -0.721 0.000 1.249 510 Q HN 0.159 nan 8.270 nan 0.000 0.476 511 P HA -0.032 nan 4.420 nan 0.000 0.232 511 P C -0.696 176.300 177.300 -0.506 0.000 1.738 511 P CA -0.001 62.692 63.100 -0.679 0.000 0.948 511 P CB -0.654 30.852 31.700 -0.323 0.000 1.943 512 F N 2.213 121.991 119.950 -0.287 0.000 2.563 512 F HA 0.136 4.677 4.527 0.023 0.000 0.363 512 F C -1.085 174.611 175.800 -0.174 0.000 1.123 512 F CA -2.301 55.589 58.000 -0.183 0.000 1.307 512 F CB -0.709 38.203 39.000 -0.147 0.000 1.115 512 F HN 0.068 nan 8.300 nan 0.000 0.592 513 P HA 0.087 nan 4.420 nan 0.000 0.268 513 P C 0.384 177.701 177.300 0.027 0.000 1.205 513 P CA 0.870 63.988 63.100 0.029 0.000 0.771 513 P CB 1.127 32.844 31.700 0.028 0.000 0.858 514 A N 2.650 125.481 122.820 0.019 0.000 3.292 514 A HA -0.251 4.083 4.320 0.024 0.000 0.241 514 A C 0.756 178.352 177.584 0.019 0.000 0.569 514 A CA 2.077 54.130 52.037 0.026 0.000 1.149 514 A CB -2.696 16.319 19.000 0.025 0.000 1.321 514 A HN 0.774 nan 8.150 nan 0.000 0.679 515 V N -3.374 116.542 119.914 0.004 0.000 2.575 515 V HA 0.530 4.665 4.120 0.024 0.000 0.281 515 V C -2.308 173.770 176.094 -0.026 0.000 1.087 515 V CA -1.122 61.178 62.300 0.001 0.000 1.193 515 V CB 0.569 32.396 31.823 0.006 0.000 1.426 515 V HN 0.503 nan 8.190 nan 0.000 0.623 516 P HA 0.218 nan 4.420 nan 0.000 0.269 516 P C -0.609 176.283 177.300 -0.680 0.000 1.215 516 P CA 0.271 63.014 63.100 -0.594 0.000 0.780 516 P CB 0.925 31.782 31.700 -1.406 0.000 0.898 517 K N 2.255 122.333 120.400 -0.536 0.000 2.419 517 K HA 0.209 4.544 4.320 0.024 0.000 0.244 517 K C -0.415 175.938 176.600 -0.412 0.000 1.045 517 K CA -0.286 55.875 56.287 -0.210 0.000 1.004 517 K CB 0.383 33.016 32.500 0.222 0.000 1.376 517 K HN 0.461 nan 8.250 nan 0.000 0.460 518 W N 1.287 122.334 121.300 -0.421 0.000 2.126 518 W HA 0.055 4.730 4.660 0.024 0.000 0.346 518 W C 1.331 177.887 176.519 0.061 0.000 1.279 518 W CA -0.423 56.745 57.345 -0.295 0.000 1.259 518 W CB 0.429 29.530 29.460 -0.597 0.000 1.133 518 W HN 0.361 nan 8.180 nan 0.000 0.592 519 S N 2.994 118.861 115.700 0.278 0.000 2.558 519 S HA -0.081 4.403 4.470 0.024 0.000 0.293 519 S C 1.241 176.006 174.600 0.275 0.000 1.292 519 S CA -0.133 58.181 58.200 0.190 0.000 1.063 519 S CB 0.109 63.372 63.200 0.104 0.000 0.831 519 S HN 0.511 nan 8.310 nan 0.000 0.499 520 I N 2.433 123.127 120.570 0.207 0.000 2.264 520 I HA -0.168 4.016 4.170 0.024 0.000 0.248 520 I C 2.007 178.158 176.117 0.057 0.000 1.111 520 I CA 1.374 62.785 61.300 0.186 0.000 1.382 520 I CB -0.416 37.637 38.000 0.089 0.000 1.060 520 I HN 0.593 nan 8.210 nan 0.000 0.418 521 K N 1.434 121.768 120.400 -0.110 0.000 2.097 521 K HA -0.142 4.193 4.320 0.024 0.000 0.205 521 K C 2.294 178.901 176.600 0.013 0.000 1.050 521 K CA 1.598 57.737 56.287 -0.245 0.000 0.938 521 K CB -0.179 32.101 32.500 -0.367 0.000 0.718 521 K HN 0.387 nan 8.250 nan 0.000 0.442 522 K N 0.051 120.484 120.400 0.056 0.000 2.116 522 K HA -0.153 4.181 4.320 0.024 0.000 0.203 522 K C 1.850 178.495 176.600 0.074 0.000 1.052 522 K CA 0.732 57.044 56.287 0.042 0.000 0.952 522 K CB -0.051 32.448 32.500 -0.002 0.000 0.729 522 K HN 0.203 nan 8.250 nan 0.000 0.446 523 W N 2.108 123.409 121.300 0.003 0.000 2.338 523 W HA -0.183 4.490 4.660 0.021 0.000 0.304 523 W C 1.521 178.029 176.519 -0.018 0.000 1.212 523 W CA 1.126 58.481 57.345 0.017 0.000 1.264 523 W CB -0.587 28.959 29.460 0.143 0.000 1.142 523 W HN 0.087 nan 8.180 nan 0.000 0.512 524 L N 0.898 122.282 121.223 0.269 0.000 2.127 524 L HA -0.235 4.119 4.340 0.024 0.000 0.211 524 L C 2.196 179.137 176.870 0.118 0.000 1.089 524 L CA 1.927 56.861 54.840 0.157 0.000 0.757 524 L CB -0.867 41.274 42.059 0.136 0.000 0.899 524 L HN 0.002 nan 8.230 nan 0.000 0.434 525 S N -1.524 114.231 115.700 0.092 0.000 2.568 525 S HA 0.266 4.750 4.470 0.024 0.000 0.232 525 S C 0.514 175.104 174.600 -0.017 0.000 0.975 525 S CA -0.563 57.660 58.200 0.038 0.000 0.949 525 S CB -0.356 62.866 63.200 0.036 0.000 0.829 525 S HN 0.142 nan 8.310 nan 0.000 0.479 526 L N 2.013 123.217 121.223 -0.031 0.000 2.483 526 L HA 0.251 4.605 4.340 0.024 0.000 0.275 526 L C -2.214 174.618 176.870 -0.063 0.000 1.220 526 L CA -1.823 52.944 54.840 -0.121 0.000 0.833 526 L CB -0.350 41.590 42.059 -0.198 0.000 1.102 526 L HN 0.022 nan 8.230 nan 0.000 0.490 527 P HA -0.046 nan 4.420 nan 0.000 0.260 527 P C 0.762 178.050 177.300 -0.020 0.000 1.172 527 P CA 1.124 64.195 63.100 -0.048 0.000 0.760 527 P CB 0.440 32.105 31.700 -0.057 0.000 0.773 528 G N 1.822 110.619 108.800 -0.006 0.000 2.212 528 G HA2 -0.288 3.686 3.960 0.024 0.000 0.266 528 G HA3 -0.288 3.686 3.960 0.024 0.000 0.266 528 G C 0.273 175.187 174.900 0.022 0.000 0.978 528 G CA 0.169 45.274 45.100 0.008 0.000 0.632 528 G HN 0.617 nan 8.290 nan 0.000 0.537 529 E N 1.033 121.251 120.200 0.031 0.000 2.316 529 E HA 0.579 4.944 4.350 0.024 0.000 0.275 529 E C 1.396 178.021 176.600 0.041 0.000 1.029 529 E CA 0.714 57.147 56.400 0.055 0.000 0.871 529 E CB 0.756 30.516 29.700 0.100 0.000 1.022 529 E HN 0.529 nan 8.360 nan 0.000 0.418 530 T N 0.634 115.209 114.554 0.035 0.000 3.041 530 T HA 0.329 4.693 4.350 0.024 0.000 0.276 530 T C 0.608 175.318 174.700 0.015 0.000 0.948 530 T CA -0.442 61.673 62.100 0.024 0.000 0.885 530 T CB 0.127 69.007 68.868 0.022 0.000 1.175 530 T HN 0.237 nan 8.240 nan 0.000 0.529 531 R N 2.218 122.723 120.500 0.008 0.000 2.649 531 R HA 0.483 4.837 4.340 0.024 0.000 0.270 531 R C -2.575 173.705 176.300 -0.033 0.000 1.105 531 R CA -1.906 54.187 56.100 -0.011 0.000 1.193 531 R CB 0.056 30.342 30.300 -0.024 0.000 1.120 531 R HN 0.218 nan 8.270 nan 0.000 0.561 532 P HA 0.105 nan 4.420 nan 0.000 0.276 532 P C -1.108 176.121 177.300 -0.119 0.000 1.244 532 P CA -0.153 62.904 63.100 -0.071 0.000 0.801 532 P CB 0.695 32.353 31.700 -0.070 0.000 1.006 533 L N 2.978 124.109 121.223 -0.153 0.000 2.325 533 L HA 0.580 4.935 4.340 0.024 0.000 0.281 533 L C -0.976 175.745 176.870 -0.248 0.000 1.004 533 L CA -0.665 54.044 54.840 -0.218 0.000 0.823 533 L CB 0.575 42.500 42.059 -0.225 0.000 1.236 533 L HN 0.238 nan 8.230 nan 0.000 0.415 534 I N 5.724 126.155 120.570 -0.232 0.000 2.500 534 I HA 0.245 4.429 4.170 0.024 0.000 0.286 534 I C -0.773 175.248 176.117 -0.160 0.000 1.063 534 I CA -0.552 60.597 61.300 -0.253 0.000 1.062 534 I CB 1.981 39.893 38.000 -0.146 0.000 1.223 534 I HN 0.477 nan 8.210 nan 0.000 0.435 535 L N 5.697 126.794 121.223 -0.210 0.000 2.513 535 L HA 0.007 4.362 4.340 0.024 0.000 0.272 535 L C 1.510 178.455 176.870 0.125 0.000 1.187 535 L CA -0.079 54.711 54.840 -0.083 0.000 0.895 535 L CB 0.549 42.541 42.059 -0.112 0.000 1.147 535 L HN 0.860 nan 8.230 nan 0.000 0.483 536 C N 0.322 119.679 119.300 0.095 0.000 2.456 536 C HA 0.131 4.605 4.460 0.024 0.000 0.279 536 C C 0.588 175.739 174.990 0.268 0.000 1.427 536 C CA -0.221 58.906 59.018 0.182 0.000 1.778 536 C CB -1.186 26.571 27.740 0.029 0.000 1.842 536 C HN 0.823 nan 8.230 nan 0.000 0.531 537 E N -0.817 119.476 120.200 0.156 0.000 2.335 537 E HA 0.589 4.954 4.350 0.024 0.000 0.280 537 E C -1.385 175.188 176.600 -0.045 0.000 0.918 537 E CA -0.409 56.086 56.400 0.158 0.000 0.765 537 E CB 1.876 31.564 29.700 -0.020 0.000 1.218 537 E HN 0.676 nan 8.360 nan 0.000 0.425 538 Y N -1.248 119.059 120.300 0.012 0.000 2.689 538 Y HA 0.635 5.200 4.550 0.025 0.000 0.333 538 Y C -0.662 175.425 175.900 0.311 0.000 1.208 538 Y CA -0.843 57.271 58.100 0.023 0.000 1.055 538 Y CB 0.944 39.248 38.460 -0.260 0.000 1.304 538 Y HN 0.674 nan 8.280 nan 0.000 0.455 539 A N 1.802 124.694 122.820 0.119 0.000 2.475 539 A HA -0.261 4.073 4.320 0.024 0.000 0.295 539 A C -0.434 177.276 177.584 0.210 0.000 1.457 539 A CA 1.033 53.126 52.037 0.093 0.000 0.734 539 A CB -2.523 16.420 19.000 -0.095 0.000 1.118 539 A HN 1.087 nan 8.150 nan 0.000 0.400 540 H N 0.647 119.861 119.070 0.240 0.000 3.191 540 H HA 0.289 4.859 4.556 0.023 0.000 0.261 540 H C 1.039 176.414 175.328 0.078 0.000 1.013 540 H CA 0.854 57.035 56.048 0.223 0.000 1.457 540 H CB 0.468 30.237 29.762 0.011 0.000 1.535 540 H HN 0.809 nan 8.280 nan 0.000 0.518 541 A N 6.668 129.390 122.820 -0.163 0.000 3.019 541 A HA 0.077 4.411 4.320 0.024 0.000 0.262 541 A C 0.826 178.252 177.584 -0.263 0.000 1.509 541 A CA -0.442 51.470 52.037 -0.208 0.000 1.159 541 A CB -0.672 18.176 19.000 -0.254 0.000 1.042 541 A HN 0.810 nan 8.150 nan 0.000 0.641 542 M N 1.595 121.042 119.600 -0.256 0.000 2.193 542 M HA 0.456 4.950 4.480 0.024 0.000 0.342 542 M C 0.916 177.116 176.300 -0.165 0.000 1.413 542 M CA 1.320 56.493 55.300 -0.211 0.000 1.191 542 M CB -0.298 32.251 32.600 -0.085 0.000 1.633 542 M HN 0.876 nan 8.290 nan 0.000 0.458 543 G N 4.077 112.784 108.800 -0.156 0.000 2.528 543 G HA2 -0.322 3.653 3.960 0.024 0.000 0.262 543 G HA3 -0.322 3.653 3.960 0.024 0.000 0.262 543 G C -0.348 174.174 174.900 -0.630 0.000 1.200 543 G CA -0.041 44.825 45.100 -0.390 0.000 0.951 543 G HN 0.827 nan 8.290 nan 0.000 0.566 544 N N 1.279 119.407 118.700 -0.954 0.000 2.508 544 N HA 0.528 5.282 4.740 0.024 0.000 0.253 544 N C -0.008 175.281 175.510 -0.367 0.000 1.145 544 N CA 1.040 53.672 53.050 -0.697 0.000 0.973 544 N CB 0.549 38.590 38.487 -0.743 0.000 1.305 544 N HN 0.838 nan 8.380 nan 0.000 0.506 545 S N 2.091 117.661 115.700 -0.215 0.000 2.998 545 S HA 0.600 5.084 4.470 0.024 0.000 0.321 545 S C -0.126 174.421 174.600 -0.088 0.000 1.171 545 S CA -0.364 57.753 58.200 -0.139 0.000 0.882 545 S CB 0.145 63.279 63.200 -0.109 0.000 1.301 545 S HN 0.374 nan 8.310 nan 0.000 0.629 546 L N 0.144 121.343 121.223 -0.040 0.000 4.613 546 L HA -0.060 4.294 4.340 0.024 0.000 0.409 546 L C 0.505 177.419 176.870 0.073 0.000 1.100 546 L CA 0.873 55.710 54.840 -0.004 0.000 1.029 546 L CB -1.727 40.238 42.059 -0.158 0.000 2.137 546 L HN 0.730 nan 8.230 nan 0.000 0.713 547 G N -0.829 107.989 108.800 0.030 0.000 2.365 547 G HA2 0.475 4.449 3.960 0.024 0.000 0.249 547 G HA3 0.475 4.449 3.960 0.024 0.000 0.249 547 G C 1.219 176.180 174.900 0.102 0.000 1.288 547 G CA 0.146 45.245 45.100 -0.002 0.000 0.887 547 G HN 1.385 nan 8.290 nan 0.000 0.524 548 G N 1.489 110.344 108.800 0.092 0.000 2.159 548 G HA2 -0.317 3.657 3.960 0.024 0.000 0.256 548 G HA3 -0.317 3.657 3.960 0.024 0.000 0.256 548 G C 0.980 176.084 174.900 0.340 0.000 0.977 548 G CA 0.752 45.965 45.100 0.190 0.000 0.652 548 G HN 0.774 nan 8.290 nan 0.000 0.531 549 F N 1.726 121.809 119.950 0.223 0.000 2.171 549 F HA 0.157 4.698 4.527 0.024 0.000 0.300 549 F C 2.635 178.655 175.800 0.367 0.000 1.090 549 F CA 2.351 60.556 58.000 0.341 0.000 1.293 549 F CB -0.420 38.716 39.000 0.227 0.000 1.013 549 F HN 0.341 nan 8.300 nan 0.000 0.486 550 A N -0.386 122.615 122.820 0.302 0.000 2.019 550 A HA -0.221 4.114 4.320 0.024 0.000 0.219 550 A C 2.290 179.901 177.584 0.044 0.000 1.164 550 A CA 1.663 53.800 52.037 0.168 0.000 0.644 550 A CB -0.768 18.334 19.000 0.170 0.000 0.805 550 A HN 0.436 nan 8.150 nan 0.000 0.449 551 K N -1.617 118.797 120.400 0.023 0.000 2.097 551 K HA -0.160 4.174 4.320 0.024 0.000 0.205 551 K C 1.671 178.052 176.600 -0.365 0.000 1.050 551 K CA 1.453 57.665 56.287 -0.124 0.000 0.938 551 K CB -0.300 32.132 32.500 -0.112 0.000 0.718 551 K HN 0.580 nan 8.250 nan 0.000 0.442 552 Y N -0.768 119.286 120.300 -0.410 0.000 2.145 552 Y HA -0.254 4.310 4.550 0.023 0.000 0.286 552 Y C 1.972 176.872 175.900 -1.666 0.000 1.145 552 Y CA 1.630 59.124 58.100 -1.009 0.000 1.148 552 Y CB -0.277 37.596 38.460 -0.979 0.000 0.981 552 Y HN 0.174 nan 8.280 nan 0.000 0.507 553 W N -0.092 120.744 121.300 -0.773 0.000 2.363 553 W HA -0.199 4.476 4.660 0.025 0.000 0.296 553 W C 2.612 178.939 176.519 -0.320 0.000 1.212 553 W CA 1.451 58.470 57.345 -0.543 0.000 1.260 553 W CB -0.630 28.620 29.460 -0.351 0.000 1.131 553 W HN 0.045 nan 8.180 nan 0.000 0.530 554 Q N 0.781 120.492 119.800 -0.148 0.000 2.124 554 Q HA -0.177 4.177 4.340 0.024 0.000 0.202 554 Q C 2.151 178.084 176.000 -0.111 0.000 0.977 554 Q CA 2.068 57.821 55.803 -0.082 0.000 0.850 554 Q CB -0.531 28.175 28.738 -0.053 0.000 0.901 554 Q HN 0.288 nan 8.270 nan 0.000 0.429 555 A N -0.234 122.428 122.820 -0.263 0.000 1.897 555 A HA -0.066 4.268 4.320 0.024 0.000 0.215 555 A C 2.026 179.581 177.584 -0.047 0.000 1.181 555 A CA 0.808 52.726 52.037 -0.198 0.000 0.620 555 A CB -0.970 17.795 19.000 -0.392 0.000 0.821 555 A HN 0.462 nan 8.150 nan 0.000 0.443 556 F N -0.243 119.523 119.950 -0.306 0.000 2.161 556 F HA -0.213 4.328 4.527 0.025 0.000 0.300 556 F C 2.749 178.441 175.800 -0.180 0.000 1.089 556 F CA 1.066 58.853 58.000 -0.355 0.000 1.282 556 F CB -0.139 38.416 39.000 -0.742 0.000 1.010 556 F HN 0.172 nan 8.300 nan 0.000 0.485 557 R N -0.025 120.521 120.500 0.077 0.000 2.119 557 R HA -0.136 4.218 4.340 0.024 0.000 0.222 557 R C 2.083 178.416 176.300 0.055 0.000 1.088 557 R CA 0.934 57.066 56.100 0.053 0.000 0.984 557 R CB -0.363 29.963 30.300 0.044 0.000 0.884 557 R HN 0.362 nan 8.270 nan 0.000 0.447 558 Q N -0.288 119.574 119.800 0.103 0.000 2.245 558 Q HA -0.051 4.303 4.340 0.024 0.000 0.201 558 Q C -0.484 175.576 176.000 0.099 0.000 0.955 558 Q CA 0.901 56.769 55.803 0.108 0.000 0.870 558 Q CB 0.410 29.246 28.738 0.163 0.000 0.945 558 Q HN 0.184 nan 8.270 nan 0.000 0.461 559 Y N 0.026 120.306 120.300 -0.032 0.000 2.334 559 Y HA 0.277 4.841 4.550 0.022 0.000 0.336 559 Y C -1.808 174.064 175.900 -0.048 0.000 0.960 559 Y CA -2.793 55.287 58.100 -0.033 0.000 1.164 559 Y CB 1.600 40.046 38.460 -0.023 0.000 1.155 559 Y HN 0.097 nan 8.280 nan 0.000 0.478 560 P HA -0.192 nan 4.420 nan 0.000 0.215 560 P C 1.114 178.411 177.300 -0.006 0.000 1.157 560 P CA 1.919 65.017 63.100 -0.005 0.000 0.874 560 P CB 0.305 31.988 31.700 -0.029 0.000 0.790 561 R N -1.235 119.282 120.500 0.027 0.000 2.316 561 R HA 0.070 4.425 4.340 0.024 0.000 0.202 561 R C 0.517 176.792 176.300 -0.041 0.000 1.029 561 R CA 0.178 56.276 56.100 -0.003 0.000 1.018 561 R CB -0.532 29.779 30.300 0.018 0.000 0.888 561 R HN 0.244 nan 8.270 nan 0.000 0.471 562 L N 1.943 123.156 121.223 -0.016 0.000 2.312 562 L HA 0.113 4.468 4.340 0.024 0.000 0.287 562 L C 0.568 177.270 176.870 -0.279 0.000 1.091 562 L CA 0.142 54.912 54.840 -0.117 0.000 0.846 562 L CB 1.088 43.149 42.059 0.003 0.000 1.219 562 L HN 0.102 nan 8.230 nan 0.000 0.439 563 Q N 2.762 122.328 119.800 -0.390 0.000 2.212 563 Q HA 0.282 4.636 4.340 0.024 0.000 0.213 563 Q C 0.902 176.477 176.000 -0.708 0.000 0.874 563 Q CA 0.164 55.704 55.803 -0.437 0.000 0.965 563 Q CB 0.881 29.459 28.738 -0.267 0.000 1.074 563 Q HN 0.956 nan 8.270 nan 0.000 0.473 564 G N -0.256 107.717 108.800 -1.377 0.000 2.445 564 G HA2 0.079 4.053 3.960 0.024 0.000 0.212 564 G HA3 0.079 4.053 3.960 0.024 0.000 0.212 564 G C -0.248 173.824 174.900 -1.381 0.000 1.217 564 G CA -0.759 43.179 45.100 -1.937 0.000 1.002 564 G HN 0.601 nan 8.290 nan 0.000 0.574 565 G N -2.228 106.073 108.800 -0.831 0.000 2.349 565 G HA2 0.632 4.606 3.960 0.024 0.000 0.294 565 G HA3 0.632 4.606 3.960 0.024 0.000 0.294 565 G C -1.776 173.050 174.900 -0.123 0.000 1.380 565 G CA -0.257 44.562 45.100 -0.468 0.000 0.811 565 G HN 1.152 nan 8.290 nan 0.000 0.519 566 F N 0.810 121.009 119.950 0.415 0.000 2.375 566 F HA 0.517 5.058 4.527 0.022 0.000 0.361 566 F C 0.824 176.908 175.800 0.473 0.000 1.117 566 F CA -0.747 57.511 58.000 0.429 0.000 1.037 566 F CB 1.931 41.076 39.000 0.241 0.000 1.192 566 F HN 0.252 nan 8.300 nan 0.000 0.452 567 V N 3.170 123.377 119.914 0.488 0.000 2.872 567 V HA -0.134 4.000 4.120 0.024 0.000 0.307 567 V C -0.218 176.004 176.094 0.213 0.000 1.072 567 V CA -0.291 62.095 62.300 0.144 0.000 1.148 567 V CB 0.817 32.726 31.823 0.143 0.000 0.954 567 V HN 0.770 nan 8.190 nan 0.000 0.490 568 W N 6.387 127.759 121.300 0.120 0.000 2.299 568 W HA 0.457 5.131 4.660 0.023 0.000 0.319 568 W C -0.846 175.653 176.519 -0.034 0.000 1.008 568 W CA -0.617 56.826 57.345 0.163 0.000 1.384 568 W CB 1.188 30.927 29.460 0.465 0.000 1.220 568 W HN 0.930 nan 8.180 nan 0.000 0.402 569 D N 2.534 122.602 120.400 -0.554 0.000 2.825 569 D HA 0.073 4.727 4.640 0.024 0.000 0.327 569 D C 0.649 176.694 176.300 -0.425 0.000 1.277 569 D CA -0.574 52.948 54.000 -0.796 0.000 0.950 569 D CB 0.179 39.881 40.800 -1.830 0.000 1.438 569 D HN 0.382 nan 8.370 nan 0.000 0.526 570 W N 0.530 121.493 121.300 -0.561 0.000 2.352 570 W HA 0.085 4.760 4.660 0.024 0.000 0.322 570 W C -0.054 176.234 176.519 -0.385 0.000 1.208 570 W CA 1.354 58.434 57.345 -0.442 0.000 1.286 570 W CB 0.266 29.497 29.460 -0.382 0.000 1.167 570 W HN 0.170 nan 8.180 nan 0.000 0.469 571 V N 2.382 122.061 119.914 -0.393 0.000 2.735 571 V HA 0.236 4.371 4.120 0.024 0.000 0.310 571 V C -0.852 175.043 176.094 -0.331 0.000 1.061 571 V CA -0.818 61.205 62.300 -0.462 0.000 0.913 571 V CB 1.573 33.228 31.823 -0.280 0.000 1.005 571 V HN -0.104 nan 8.190 nan 0.000 0.428 572 D N 3.956 124.171 120.400 -0.308 0.000 2.493 572 D HA 0.109 4.763 4.640 0.024 0.000 0.240 572 D C 0.180 176.326 176.300 -0.256 0.000 1.142 572 D CA 0.667 54.536 54.000 -0.217 0.000 0.872 572 D CB 0.901 41.666 40.800 -0.058 0.000 1.173 572 D HN 0.605 nan 8.370 nan 0.000 0.467 573 Q N 1.253 120.828 119.800 -0.374 0.000 3.207 573 Q HA 0.156 4.510 4.340 0.024 0.000 0.335 573 Q C -0.152 175.805 176.000 -0.072 0.000 1.374 573 Q CA -0.381 54.966 55.803 -0.759 0.000 1.023 573 Q CB 0.149 28.518 28.738 -0.614 0.000 1.576 573 Q HN 0.341 nan 8.270 nan 0.000 0.515 574 S N 0.043 115.821 115.700 0.130 0.000 2.617 574 S HA 0.643 5.127 4.470 0.024 0.000 0.283 574 S C -0.146 174.634 174.600 0.299 0.000 1.189 574 S CA -0.806 57.578 58.200 0.307 0.000 1.036 574 S CB 1.477 64.840 63.200 0.270 0.000 1.014 574 S HN 0.349 nan 8.310 nan 0.000 0.522 575 L N 1.840 123.156 121.223 0.155 0.000 2.330 575 L HA 0.527 4.881 4.340 0.024 0.000 0.271 575 L C -0.366 176.421 176.870 -0.138 0.000 1.013 575 L CA -1.228 53.572 54.840 -0.066 0.000 0.816 575 L CB 1.330 43.217 42.059 -0.287 0.000 1.287 575 L HN 0.549 nan 8.230 nan 0.000 0.435 576 I N 2.277 122.708 120.570 -0.232 0.000 2.474 576 I HA 0.257 4.441 4.170 0.024 0.000 0.287 576 I C 0.121 175.866 176.117 -0.619 0.000 1.048 576 I CA -0.006 61.033 61.300 -0.435 0.000 1.383 576 I CB 1.012 38.745 38.000 -0.445 0.000 1.412 576 I HN 0.567 nan 8.210 nan 0.000 0.531 577 K N 5.282 125.045 120.400 -1.061 0.000 2.395 577 K HA 0.550 4.884 4.320 0.024 0.000 0.247 577 K C -1.587 174.229 176.600 -1.308 0.000 0.973 577 K CA -0.687 54.854 56.287 -1.242 0.000 0.828 577 K CB 2.442 33.876 32.500 -1.777 0.000 1.272 577 K HN 0.267 nan 8.250 nan 0.000 0.439 578 Y N 1.128 121.161 120.300 -0.445 0.000 2.350 578 Y HA 0.111 4.675 4.550 0.024 0.000 0.338 578 Y C 0.256 176.218 175.900 0.103 0.000 0.961 578 Y CA -1.037 56.988 58.100 -0.125 0.000 1.100 578 Y CB 1.297 39.703 38.460 -0.091 0.000 1.179 578 Y HN 0.700 nan 8.280 nan 0.000 0.454 579 D N 0.733 121.372 120.400 0.399 0.000 2.398 579 D HA -0.039 4.615 4.640 0.024 0.000 0.264 579 D C 1.239 177.646 176.300 0.179 0.000 1.263 579 D CA -0.109 54.084 54.000 0.322 0.000 1.037 579 D CB 0.346 41.286 40.800 0.234 0.000 1.101 579 D HN 0.769 nan 8.370 nan 0.000 0.551 580 E N -0.122 120.146 120.200 0.114 0.000 2.086 580 E HA -0.347 4.017 4.350 0.024 0.000 0.200 580 E C 0.899 177.534 176.600 0.060 0.000 1.012 580 E CA 1.497 57.937 56.400 0.066 0.000 0.812 580 E CB -0.443 29.279 29.700 0.036 0.000 0.743 580 E HN 0.342 nan 8.360 nan 0.000 0.453 581 N N 0.413 119.155 118.700 0.070 0.000 2.461 581 N HA 0.052 4.807 4.740 0.024 0.000 0.188 581 N C 0.782 176.337 175.510 0.074 0.000 1.134 581 N CA 1.033 54.118 53.050 0.059 0.000 0.878 581 N CB 0.761 39.282 38.487 0.056 0.000 0.972 581 N HN 0.517 nan 8.380 nan 0.000 0.456 582 G N 0.611 109.476 108.800 0.108 0.000 2.143 582 G HA2 -0.256 3.718 3.960 0.024 0.000 0.248 582 G HA3 -0.256 3.718 3.960 0.024 0.000 0.248 582 G C -0.330 174.702 174.900 0.219 0.000 0.991 582 G CA -0.327 44.843 45.100 0.118 0.000 0.689 582 G HN 0.298 nan 8.290 nan 0.000 0.522 583 N N 1.462 120.296 118.700 0.223 0.000 2.456 583 N HA 0.500 5.254 4.740 0.024 0.000 0.288 583 N C -2.555 173.090 175.510 0.225 0.000 1.059 583 N CA -1.406 51.772 53.050 0.212 0.000 0.946 583 N CB 1.929 40.506 38.487 0.150 0.000 1.150 583 N HN 0.159 nan 8.380 nan 0.000 0.479 584 P HA 0.246 nan 4.420 nan 0.000 0.275 584 P C -0.503 176.749 177.300 -0.080 0.000 1.228 584 P CA -0.279 62.667 63.100 -0.257 0.000 0.786 584 P CB 0.644 32.169 31.700 -0.292 0.000 0.927 585 W N -0.475 120.591 121.300 -0.388 0.000 3.217 585 W HA 0.399 5.073 4.660 0.024 0.000 0.323 585 W C -1.514 174.821 176.519 -0.306 0.000 1.216 585 W CA -1.033 56.087 57.345 -0.375 0.000 1.194 585 W CB 0.340 29.355 29.460 -0.742 0.000 1.397 585 W HN 0.110 nan 8.180 nan 0.000 0.537 586 S N 1.843 117.611 115.700 0.115 0.000 2.448 586 S HA 0.556 5.040 4.470 0.024 0.000 0.279 586 S C 0.242 175.015 174.600 0.288 0.000 1.195 586 S CA -0.191 58.080 58.200 0.119 0.000 1.051 586 S CB 0.757 64.080 63.200 0.205 0.000 0.948 586 S HN 0.601 nan 8.310 nan 0.000 0.493 587 A N 3.146 126.003 122.820 0.062 0.000 2.320 587 A HA 0.874 5.208 4.320 0.024 0.000 0.334 587 A C -0.609 177.231 177.584 0.427 0.000 1.147 587 A CA -0.724 51.389 52.037 0.128 0.000 0.820 587 A CB 0.609 19.427 19.000 -0.303 0.000 1.218 587 A HN 0.828 nan 8.150 nan 0.000 0.482 588 Y N -0.612 120.017 120.300 0.549 0.000 3.048 588 Y HA 0.771 5.335 4.550 0.024 0.000 0.305 588 Y C 0.735 177.000 175.900 0.608 0.000 1.538 588 Y CA -1.411 57.004 58.100 0.525 0.000 1.082 588 Y CB -0.176 38.427 38.460 0.238 0.000 1.388 588 Y HN 0.876 nan 8.280 nan 0.000 0.557 589 G N -0.272 108.930 108.800 0.670 0.000 2.265 589 G HA2 0.368 4.342 3.960 0.024 0.000 0.240 589 G HA3 0.368 4.342 3.960 0.024 0.000 0.240 589 G C 0.932 176.171 174.900 0.564 0.000 1.270 589 G CA 0.470 45.891 45.100 0.535 0.000 0.901 589 G HN 1.940 nan 8.290 nan 0.000 0.507 590 G N 2.180 111.276 108.800 0.493 0.000 2.284 590 G HA2 -0.282 3.692 3.960 0.024 0.000 0.230 590 G HA3 -0.282 3.692 3.960 0.024 0.000 0.230 590 G C 0.939 176.036 174.900 0.328 0.000 1.021 590 G CA 0.661 45.981 45.100 0.367 0.000 0.619 590 G HN 0.635 nan 8.290 nan 0.000 0.510 591 D N -0.014 120.595 120.400 0.348 0.000 2.378 591 D HA 0.105 4.759 4.640 0.024 0.000 0.222 591 D C 1.270 177.415 176.300 -0.259 0.000 0.980 591 D CA 0.606 54.643 54.000 0.061 0.000 0.907 591 D CB -0.208 40.579 40.800 -0.023 0.000 0.899 591 D HN 0.485 nan 8.370 nan 0.000 0.527 592 F N -0.875 119.198 119.950 0.205 0.000 2.668 592 F HA 0.309 4.851 4.527 0.024 0.000 0.301 592 F C 1.779 177.661 175.800 0.137 0.000 1.106 592 F CA -0.198 57.880 58.000 0.131 0.000 1.289 592 F CB 0.730 39.800 39.000 0.117 0.000 1.006 592 F HN -0.053 nan 8.300 nan 0.000 0.535 593 G N 0.444 109.389 108.800 0.242 0.000 2.184 593 G HA2 -0.283 3.691 3.960 0.024 0.000 0.264 593 G HA3 -0.283 3.691 3.960 0.024 0.000 0.264 593 G C -0.173 174.862 174.900 0.224 0.000 0.975 593 G CA 0.196 45.411 45.100 0.192 0.000 0.642 593 G HN 0.417 nan 8.290 nan 0.000 0.536 594 D N 0.499 121.083 120.400 0.307 0.000 2.417 594 D HA 0.475 5.129 4.640 0.024 0.000 0.250 594 D C 0.170 176.591 176.300 0.203 0.000 1.166 594 D CA 0.981 55.148 54.000 0.279 0.000 0.881 594 D CB 1.567 42.596 40.800 0.380 0.000 1.164 594 D HN 0.414 nan 8.370 nan 0.000 0.467 595 T N 1.094 115.739 114.554 0.151 0.000 3.097 595 T HA 0.425 4.789 4.350 0.024 0.000 0.332 595 T C -2.751 171.991 174.700 0.069 0.000 1.269 595 T CA -1.144 61.017 62.100 0.101 0.000 1.076 595 T CB 1.359 70.284 68.868 0.095 0.000 1.209 595 T HN 0.291 nan 8.240 nan 0.000 0.474 596 P HA 0.538 nan 4.420 nan 0.000 0.275 596 P C -1.050 176.246 177.300 -0.007 0.000 1.266 596 P CA -0.399 62.706 63.100 0.007 0.000 0.793 596 P CB 0.382 32.062 31.700 -0.033 0.000 1.074 597 N N -2.301 116.385 118.700 -0.023 0.000 2.708 597 N HA 0.235 4.989 4.740 0.024 0.000 0.257 597 N C -1.182 174.270 175.510 -0.097 0.000 1.373 597 N CA -0.755 52.259 53.050 -0.059 0.000 0.843 597 N CB 0.684 39.232 38.487 0.102 0.000 1.503 597 N HN 0.084 nan 8.380 nan 0.000 0.504 598 D N 0.290 120.568 120.400 -0.204 0.000 2.615 598 D HA 0.196 4.850 4.640 0.024 0.000 0.236 598 D C 0.261 176.718 176.300 0.262 0.000 1.233 598 D CA -0.239 53.720 54.000 -0.068 0.000 0.829 598 D CB 0.113 40.752 40.800 -0.267 0.000 1.024 598 D HN 0.397 nan 8.370 nan 0.000 0.490 599 R N 1.110 121.780 120.500 0.283 0.000 3.682 599 R HA -0.263 4.091 4.340 0.024 0.000 0.519 599 R C 1.629 177.952 176.300 0.037 0.000 0.241 599 R CA 1.500 57.760 56.100 0.266 0.000 1.619 599 R CB -1.667 28.686 30.300 0.089 0.000 0.923 599 R HN 0.339 nan 8.270 nan 0.000 0.598 600 Q N 1.400 120.946 119.800 -0.422 0.000 2.515 600 Q HA -0.050 4.304 4.340 0.024 0.000 0.212 600 Q C 1.762 177.591 176.000 -0.285 0.000 0.970 600 Q CA 1.296 56.693 55.803 -0.676 0.000 0.941 600 Q CB -0.286 27.876 28.738 -0.959 0.000 0.998 600 Q HN 0.538 nan 8.270 nan 0.000 0.518 601 F N 2.203 122.060 119.950 -0.155 0.000 2.494 601 F HA -0.125 4.416 4.527 0.023 0.000 0.298 601 F C 1.873 177.603 175.800 -0.117 0.000 1.106 601 F CA 0.908 58.894 58.000 -0.024 0.000 1.452 601 F CB -0.001 39.048 39.000 0.081 0.000 1.085 601 F HN 0.429 nan 8.300 nan 0.000 0.569 602 C N -0.968 117.954 119.300 -0.630 0.000 2.626 602 C HA 0.321 4.795 4.460 0.024 0.000 0.266 602 C C 0.857 175.576 174.990 -0.453 0.000 1.317 602 C CA -0.550 57.955 59.018 -0.854 0.000 1.716 602 C CB -1.791 24.908 27.740 -1.735 0.000 1.819 602 C HN 0.212 nan 8.230 nan 0.000 0.578 603 M N 2.608 121.997 119.600 -0.351 0.000 2.027 603 M HA 0.290 4.784 4.480 0.024 0.000 0.329 603 M C -0.510 175.635 176.300 -0.257 0.000 0.971 603 M CA 0.326 55.489 55.300 -0.230 0.000 0.933 603 M CB 0.140 32.675 32.600 -0.109 0.000 1.392 603 M HN 0.370 nan 8.290 nan 0.000 0.394 604 N N 0.721 119.249 118.700 -0.286 0.000 2.240 604 N HA 0.205 4.959 4.740 0.024 0.000 0.240 604 N C 0.340 175.610 175.510 -0.400 0.000 1.277 604 N CA -0.527 52.313 53.050 -0.349 0.000 0.873 604 N CB 1.261 39.586 38.487 -0.269 0.000 1.222 604 N HN 0.632 nan 8.380 nan 0.000 0.507 605 G N -0.045 108.480 108.800 -0.458 0.000 2.477 605 G HA2 0.385 4.359 3.960 0.024 0.000 0.304 605 G HA3 0.385 4.359 3.960 0.024 0.000 0.304 605 G C 0.637 175.002 174.900 -0.891 0.000 1.175 605 G CA -0.567 44.165 45.100 -0.613 0.000 0.907 605 G HN 0.093 nan 8.290 nan 0.000 0.509 606 L N -0.131 120.613 121.223 -0.799 0.000 2.395 606 L HA 0.109 4.463 4.340 0.024 0.000 0.218 606 L C 0.919 177.174 176.870 -1.026 0.000 1.130 606 L CA 0.339 54.709 54.840 -0.783 0.000 0.826 606 L CB -0.250 41.502 42.059 -0.511 0.000 0.941 606 L HN 0.390 nan 8.230 nan 0.000 0.451 607 V N -5.056 114.187 119.914 -1.118 0.000 2.960 607 V HA 0.469 4.603 4.120 0.024 0.000 0.315 607 V C -0.192 175.561 176.094 -0.568 0.000 1.087 607 V CA -1.258 60.564 62.300 -0.797 0.000 0.982 607 V CB 1.562 32.913 31.823 -0.787 0.000 1.039 607 V HN -0.156 nan 8.190 nan 0.000 0.437 608 F N 1.264 121.193 119.950 -0.035 0.000 2.440 608 F HA 0.563 5.105 4.527 0.024 0.000 0.323 608 F C 1.904 177.654 175.800 -0.084 0.000 1.192 608 F CA 0.561 58.584 58.000 0.040 0.000 1.252 608 F CB 0.980 39.981 39.000 0.002 0.000 1.214 608 F HN 0.764 nan 8.300 nan 0.000 0.578 609 A N 0.732 123.652 122.820 0.167 0.000 2.032 609 A HA -0.222 4.112 4.320 0.024 0.000 0.221 609 A C 1.611 179.188 177.584 -0.012 0.000 1.165 609 A CA 1.888 53.971 52.037 0.077 0.000 0.645 609 A CB -0.957 18.121 19.000 0.130 0.000 0.807 609 A HN 0.787 nan 8.150 nan 0.000 0.453 610 D N -2.982 117.432 120.400 0.023 0.000 2.328 610 D HA 0.144 4.799 4.640 0.024 0.000 0.226 610 D C 0.710 177.006 176.300 -0.008 0.000 1.066 610 D CA 0.042 54.020 54.000 -0.036 0.000 0.861 610 D CB -0.047 40.728 40.800 -0.042 0.000 0.912 610 D HN 0.233 nan 8.370 nan 0.000 0.521 611 R N -2.007 118.491 120.500 -0.003 0.000 3.489 611 R HA -0.120 4.235 4.340 0.024 0.000 0.489 611 R C -0.133 176.174 176.300 0.012 0.000 0.770 611 R CA 1.176 57.266 56.100 -0.015 0.000 1.404 611 R CB -3.096 27.230 30.300 0.042 0.000 2.091 611 R HN 0.243 nan 8.270 nan 0.000 0.456 612 T N 2.988 117.588 114.554 0.077 0.000 2.916 612 T HA 0.345 4.710 4.350 0.024 0.000 0.303 612 T C -2.314 172.491 174.700 0.176 0.000 1.025 612 T CA -0.628 61.542 62.100 0.118 0.000 1.142 612 T CB 0.999 69.943 68.868 0.126 0.000 0.947 612 T HN -0.072 nan 8.240 nan 0.000 0.544 613 P HA 0.242 nan 4.420 nan 0.000 0.277 613 P C -0.159 177.201 177.300 0.101 0.000 1.240 613 P CA -0.448 62.661 63.100 0.014 0.000 0.798 613 P CB 0.526 32.228 31.700 0.002 0.000 0.979 614 H N 1.697 120.607 119.070 -0.266 0.000 2.508 614 H HA 0.122 4.692 4.556 0.024 0.000 0.358 614 H C -1.319 173.916 175.328 -0.155 0.000 1.212 614 H CA -1.867 53.999 56.048 -0.303 0.000 1.356 614 H CB 0.292 29.838 29.762 -0.360 0.000 1.525 614 H HN 0.315 nan 8.280 nan 0.000 0.578 615 P HA -0.153 nan 4.420 nan 0.000 0.219 615 P C 1.166 178.471 177.300 0.007 0.000 1.146 615 P CA 1.369 64.468 63.100 -0.003 0.000 0.808 615 P CB 0.017 31.717 31.700 -0.000 0.000 0.779 616 A N -0.460 122.366 122.820 0.010 0.000 2.024 616 A HA -0.190 4.144 4.320 0.024 0.000 0.220 616 A C 2.069 179.596 177.584 -0.094 0.000 1.164 616 A CA 1.272 53.272 52.037 -0.061 0.000 0.643 616 A CB -1.603 17.333 19.000 -0.106 0.000 0.806 616 A HN 0.180 nan 8.150 nan 0.000 0.451 617 L N -0.607 120.577 121.223 -0.064 0.000 2.079 617 L HA -0.128 4.226 4.340 0.024 0.000 0.210 617 L C 2.508 179.416 176.870 0.063 0.000 1.081 617 L CA 2.674 57.511 54.840 -0.006 0.000 0.752 617 L CB -0.841 41.213 42.059 -0.009 0.000 0.896 617 L HN 0.379 nan 8.230 nan 0.000 0.433 618 T N -1.841 112.754 114.554 0.068 0.000 2.951 618 T HA -0.163 4.201 4.350 0.024 0.000 0.268 618 T C 1.778 176.583 174.700 0.175 0.000 1.073 618 T CA 1.295 63.491 62.100 0.159 0.000 1.134 618 T CB -0.105 68.837 68.868 0.124 0.000 0.884 618 T HN 0.465 nan 8.240 nan 0.000 0.479 619 E N 0.770 121.012 120.200 0.071 0.000 2.107 619 E HA 0.131 4.496 4.350 0.024 0.000 0.191 619 E C 2.154 178.769 176.600 0.025 0.000 0.982 619 E CA 1.216 57.667 56.400 0.085 0.000 0.809 619 E CB -0.563 29.146 29.700 0.016 0.000 0.756 619 E HN 0.528 nan 8.360 nan 0.000 0.459 620 A N 1.011 123.734 122.820 -0.161 0.000 1.877 620 A HA -0.213 4.121 4.320 0.024 0.000 0.216 620 A C 2.168 179.645 177.584 -0.178 0.000 1.186 620 A CA 1.884 53.772 52.037 -0.248 0.000 0.620 620 A CB -0.597 18.250 19.000 -0.255 0.000 0.822 620 A HN 0.253 nan 8.150 nan 0.000 0.443 621 K N -1.295 119.076 120.400 -0.049 0.000 2.063 621 K HA -0.277 4.057 4.320 0.024 0.000 0.208 621 K C 2.066 178.580 176.600 -0.142 0.000 1.048 621 K CA 1.945 58.213 56.287 -0.033 0.000 0.928 621 K CB -0.336 32.305 32.500 0.235 0.000 0.713 621 K HN 0.633 nan 8.250 nan 0.000 0.442 622 H N 0.387 119.302 119.070 -0.257 0.000 2.357 622 H HA -0.020 4.550 4.556 0.024 0.000 0.301 622 H C 1.885 176.953 175.328 -0.433 0.000 1.082 622 H CA 1.754 57.454 56.048 -0.580 0.000 1.342 622 H CB 0.131 29.607 29.762 -0.478 0.000 1.389 622 H HN 0.231 nan 8.280 nan 0.000 0.511 623 Q N 0.152 119.742 119.800 -0.351 0.000 2.297 623 Q HA -0.060 4.294 4.340 0.024 0.000 0.204 623 Q C 1.429 176.916 176.000 -0.855 0.000 0.962 623 Q CA 0.951 56.454 55.803 -0.499 0.000 0.879 623 Q CB 0.135 28.729 28.738 -0.241 0.000 0.947 623 Q HN 0.709 nan 8.270 nan 0.000 0.462 624 Q N 0.171 119.419 119.800 -0.919 0.000 2.322 624 Q HA 0.070 4.424 4.340 0.024 0.000 0.203 624 Q C -0.097 175.354 176.000 -0.915 0.000 0.923 624 Q CA -0.181 54.930 55.803 -1.152 0.000 0.949 624 Q CB 0.297 28.408 28.738 -1.045 0.000 1.039 624 Q HN 0.355 nan 8.270 nan 0.000 0.496 625 Q N -0.479 118.931 119.800 -0.651 0.000 2.386 625 Q HA -0.020 4.335 4.340 0.024 0.000 0.282 625 Q C -0.109 175.514 176.000 -0.628 0.000 1.050 625 Q CA 0.328 55.882 55.803 -0.415 0.000 0.918 625 Q CB 0.487 29.069 28.738 -0.259 0.000 1.266 625 Q HN 0.295 nan 8.270 nan 0.000 0.423 626 F N 0.406 120.123 119.950 -0.388 0.000 2.765 626 F HA 0.204 4.745 4.527 0.023 0.000 0.302 626 F C -0.107 175.131 175.800 -0.936 0.000 1.111 626 F CA 0.047 57.576 58.000 -0.785 0.000 1.359 626 F CB 0.506 38.719 39.000 -1.311 0.000 1.097 626 F HN 0.312 nan 8.300 nan 0.000 0.577 627 F N 0.257 120.112 119.950 -0.158 0.000 2.540 627 F HA 0.474 5.016 4.527 0.025 0.000 0.317 627 F C -0.093 175.340 175.800 -0.611 0.000 1.104 627 F CA -1.108 56.695 58.000 -0.328 0.000 0.913 627 F CB 1.323 40.161 39.000 -0.269 0.000 1.170 627 F HN -0.342 nan 8.300 nan 0.000 0.450 628 Q N 3.041 122.567 119.800 -0.456 0.000 2.306 628 Q HA 0.594 4.948 4.340 0.024 0.000 0.265 628 Q C -1.309 174.371 176.000 -0.534 0.000 1.022 628 Q CA -0.609 54.957 55.803 -0.394 0.000 0.853 628 Q CB 2.772 31.414 28.738 -0.161 0.000 1.327 628 Q HN 0.540 nan 8.270 nan 0.000 0.449 629 F N -0.020 120.052 119.950 0.203 0.000 2.603 629 F HA 0.622 5.164 4.527 0.024 0.000 0.317 629 F C 0.175 176.199 175.800 0.373 0.000 1.066 629 F CA -0.906 57.282 58.000 0.313 0.000 0.941 629 F CB 2.052 41.363 39.000 0.518 0.000 1.291 629 F HN 0.184 nan 8.300 nan 0.000 0.472 630 R N 1.184 121.985 120.500 0.501 0.000 2.725 630 R HA 0.732 5.087 4.340 0.024 0.000 0.277 630 R C -2.017 174.345 176.300 0.104 0.000 0.987 630 R CA -1.119 55.198 56.100 0.362 0.000 0.901 630 R CB 2.859 33.270 30.300 0.185 0.000 1.207 630 R HN 0.571 nan 8.270 nan 0.000 0.463 631 L N 0.504 121.678 121.223 -0.082 0.000 2.346 631 L HA 0.654 5.008 4.340 0.024 0.000 0.276 631 L C -1.103 175.622 176.870 -0.242 0.000 1.006 631 L CA 0.060 54.621 54.840 -0.465 0.000 0.817 631 L CB 2.230 43.529 42.059 -1.266 0.000 1.272 631 L HN 0.541 nan 8.230 nan 0.000 0.421 632 S N 3.319 118.892 115.700 -0.212 0.000 2.720 632 S HA 0.679 5.163 4.470 0.024 0.000 0.278 632 S C 0.235 174.747 174.600 -0.146 0.000 1.172 632 S CA 0.181 58.300 58.200 -0.135 0.000 1.019 632 S CB 0.510 63.665 63.200 -0.074 0.000 1.049 632 S HN 1.559 nan 8.310 nan 0.000 0.483 633 G N 4.308 113.025 108.800 -0.138 0.000 2.634 633 G HA2 -0.349 3.625 3.960 0.024 0.000 0.318 633 G HA3 -0.349 3.625 3.960 0.024 0.000 0.318 633 G C 0.457 175.254 174.900 -0.173 0.000 1.207 633 G CA 1.046 46.067 45.100 -0.131 0.000 0.987 633 G HN 0.733 nan 8.290 nan 0.000 0.547 634 Q N 0.985 120.687 119.800 -0.163 0.000 2.198 634 Q HA 0.401 4.756 4.340 0.024 0.000 0.209 634 Q C 0.258 176.125 176.000 -0.222 0.000 0.848 634 Q CA 0.720 56.398 55.803 -0.207 0.000 0.974 634 Q CB 0.372 29.006 28.738 -0.174 0.000 1.115 634 Q HN 0.575 nan 8.270 nan 0.000 0.494 635 T N 0.456 114.895 114.554 -0.192 0.000 2.767 635 T HA 0.483 4.847 4.350 0.024 0.000 0.288 635 T C -0.167 174.414 174.700 -0.198 0.000 0.963 635 T CA -0.353 61.647 62.100 -0.165 0.000 1.019 635 T CB 0.957 69.762 68.868 -0.106 0.000 0.923 635 T HN 0.112 nan 8.240 nan 0.000 0.468 636 I N 2.839 123.310 120.570 -0.166 0.000 2.339 636 I HA 0.324 4.508 4.170 0.024 0.000 0.290 636 I C 0.435 176.559 176.117 0.012 0.000 0.994 636 I CA -0.551 60.675 61.300 -0.124 0.000 1.191 636 I CB 1.284 39.228 38.000 -0.093 0.000 1.343 636 I HN 0.591 nan 8.210 nan 0.000 0.458 637 E N 6.857 127.100 120.200 0.071 0.000 2.145 637 E HA 0.467 4.831 4.350 0.024 0.000 0.270 637 E C -1.607 175.100 176.600 0.178 0.000 0.906 637 E CA -0.631 55.828 56.400 0.099 0.000 0.761 637 E CB 1.806 31.545 29.700 0.066 0.000 1.116 637 E HN 0.358 nan 8.360 nan 0.000 0.408 638 V N 4.151 124.158 119.914 0.155 0.000 2.370 638 V HA 0.321 4.455 4.120 0.024 0.000 0.283 638 V C -0.018 176.116 176.094 0.067 0.000 1.023 638 V CA -0.552 61.819 62.300 0.118 0.000 0.857 638 V CB 1.574 33.497 31.823 0.166 0.000 0.985 638 V HN 0.709 nan 8.190 nan 0.000 0.443 639 T N 3.227 117.780 114.554 -0.002 0.000 2.823 639 T HA 0.340 4.705 4.350 0.024 0.000 0.279 639 T C -0.011 174.705 174.700 0.026 0.000 0.998 639 T CA -0.274 61.834 62.100 0.012 0.000 0.994 639 T CB 1.599 70.448 68.868 -0.032 0.000 0.960 639 T HN 0.657 nan 8.240 nan 0.000 0.448 640 S N 1.656 117.375 115.700 0.033 0.000 2.475 640 S HA 0.200 4.685 4.470 0.024 0.000 0.281 640 S C 0.803 175.284 174.600 -0.199 0.000 1.198 640 S CA -0.557 57.590 58.200 -0.089 0.000 1.063 640 S CB 0.491 63.696 63.200 0.008 0.000 0.972 640 S HN 0.718 nan 8.310 nan 0.000 0.486 641 E N 3.264 123.244 120.200 -0.367 0.000 2.463 641 E HA 0.087 4.451 4.350 0.024 0.000 0.193 641 E C -0.671 175.751 176.600 -0.298 0.000 1.041 641 E CA -0.104 56.114 56.400 -0.302 0.000 0.879 641 E CB 0.259 29.758 29.700 -0.335 0.000 0.997 641 E HN 0.698 nan 8.360 nan 0.000 0.478 642 Y N 0.283 120.464 120.300 -0.197 0.000 2.457 642 Y HA -0.038 4.526 4.550 0.023 0.000 0.341 642 Y C 1.459 177.200 175.900 -0.266 0.000 1.240 642 Y CA 0.177 58.164 58.100 -0.189 0.000 1.437 642 Y CB 0.706 39.038 38.460 -0.215 0.000 1.328 642 Y HN -0.036 nan 8.280 nan 0.000 0.588 643 L N 0.594 121.663 121.223 -0.256 0.000 2.408 643 L HA 0.063 4.417 4.340 0.024 0.000 0.215 643 L C 0.762 177.204 176.870 -0.713 0.000 1.081 643 L CA 0.632 55.068 54.840 -0.673 0.000 0.840 643 L CB 0.008 41.289 42.059 -1.296 0.000 1.002 643 L HN 0.652 nan 8.230 nan 0.000 0.468 644 F N -0.290 119.674 119.950 0.024 0.000 2.581 644 F HA 0.200 4.740 4.527 0.022 0.000 0.278 644 F C 1.313 177.101 175.800 -0.019 0.000 1.000 644 F CA -0.798 57.193 58.000 -0.015 0.000 1.230 644 F CB 0.264 39.234 39.000 -0.050 0.000 1.008 644 F HN -0.156 nan 8.300 nan 0.000 0.695 645 R N 0.709 121.260 120.500 0.085 0.000 2.500 645 R HA 0.330 4.684 4.340 0.024 0.000 0.277 645 R C -0.550 175.748 176.300 -0.003 0.000 1.026 645 R CA -0.544 55.553 56.100 -0.005 0.000 1.058 645 R CB 0.662 30.850 30.300 -0.186 0.000 1.078 645 R HN 0.144 nan 8.270 nan 0.000 0.509 646 H N 0.554 119.615 119.070 -0.016 0.000 2.546 646 H HA 0.037 4.607 4.556 0.024 0.000 0.365 646 H C 0.197 175.545 175.328 0.033 0.000 1.220 646 H CA 0.293 56.361 56.048 0.034 0.000 1.386 646 H CB 1.581 31.368 29.762 0.042 0.000 1.510 646 H HN 0.788 nan 8.280 nan 0.000 0.591 647 S N 1.214 117.030 115.700 0.193 0.000 4.085 647 S HA -0.062 4.422 4.470 0.024 0.000 0.189 647 S C 0.337 175.051 174.600 0.190 0.000 1.392 647 S CA -0.525 57.822 58.200 0.243 0.000 0.972 647 S CB -0.799 62.612 63.200 0.352 0.000 1.482 647 S HN 0.568 nan 8.310 nan 0.000 0.446 648 D N 0.683 121.168 120.400 0.143 0.000 2.319 648 D HA 0.028 4.683 4.640 0.024 0.000 0.230 648 D C 0.381 176.730 176.300 0.081 0.000 1.094 648 D CA -0.122 53.940 54.000 0.104 0.000 0.856 648 D CB -0.387 40.455 40.800 0.070 0.000 0.915 648 D HN 0.528 nan 8.370 nan 0.000 0.517 649 N N 0.002 118.762 118.700 0.099 0.000 2.620 649 N HA 0.124 4.878 4.740 0.024 0.000 0.277 649 N C -1.575 174.007 175.510 0.120 0.000 1.726 649 N CA -0.209 52.894 53.050 0.088 0.000 0.840 649 N CB 0.331 38.858 38.487 0.067 0.000 1.379 649 N HN -0.089 nan 8.380 nan 0.000 0.506 650 E N 0.148 120.414 120.200 0.110 0.000 2.321 650 E HA 0.492 4.856 4.350 0.024 0.000 0.278 650 E C -1.241 175.397 176.600 0.064 0.000 0.902 650 E CA -0.686 55.772 56.400 0.097 0.000 0.758 650 E CB 2.305 32.050 29.700 0.074 0.000 1.213 650 E HN 0.314 nan 8.360 nan 0.000 0.426 651 L N 1.003 122.265 121.223 0.066 0.000 2.401 651 L HA 0.700 5.054 4.340 0.024 0.000 0.266 651 L C -1.540 175.384 176.870 0.090 0.000 0.991 651 L CA -1.216 53.666 54.840 0.071 0.000 0.818 651 L CB 1.442 43.545 42.059 0.073 0.000 1.321 651 L HN 0.572 nan 8.230 nan 0.000 0.413 652 L N 3.959 125.245 121.223 0.104 0.000 2.264 652 L HA 0.457 4.811 4.340 0.024 0.000 0.289 652 L C -0.463 176.507 176.870 0.167 0.000 1.044 652 L CA 0.029 54.960 54.840 0.151 0.000 0.807 652 L CB 0.600 42.763 42.059 0.172 0.000 1.192 652 L HN 0.685 nan 8.230 nan 0.000 0.425 653 H N 6.112 125.238 119.070 0.093 0.000 2.457 653 H HA 0.390 4.960 4.556 0.024 0.000 0.335 653 H C -1.649 173.739 175.328 0.100 0.000 1.115 653 H CA -0.587 55.468 56.048 0.011 0.000 1.219 653 H CB 1.119 30.859 29.762 -0.037 0.000 1.471 653 H HN 0.759 nan 8.280 nan 0.000 0.491 654 W N 5.130 126.144 121.300 -0.477 0.000 2.936 654 W HA 0.554 5.229 4.660 0.024 0.000 0.338 654 W C -2.005 174.443 176.519 -0.119 0.000 1.121 654 W CA -1.257 56.018 57.345 -0.116 0.000 1.209 654 W CB 1.456 30.877 29.460 -0.066 0.000 1.420 654 W HN 0.535 nan 8.180 nan 0.000 0.516 655 M N 3.481 123.350 119.600 0.448 0.000 2.322 655 M HA 0.553 5.048 4.480 0.024 0.000 0.285 655 M C -2.569 173.977 176.300 0.411 0.000 1.119 655 M CA -0.722 54.766 55.300 0.313 0.000 0.953 655 M CB 1.814 34.559 32.600 0.243 0.000 1.701 655 M HN 0.210 nan 8.290 nan 0.000 0.479 656 V N 4.155 124.302 119.914 0.389 0.000 2.417 656 V HA 1.003 5.137 4.120 0.024 0.000 0.291 656 V C -0.316 175.906 176.094 0.213 0.000 1.024 656 V CA -0.179 62.304 62.300 0.306 0.000 0.861 656 V CB 1.182 33.172 31.823 0.279 0.000 0.985 656 V HN 1.072 nan 8.190 nan 0.000 0.436 657 A N 4.710 127.658 122.820 0.213 0.000 2.435 657 A HA 0.881 5.215 4.320 0.024 0.000 0.304 657 A C -1.356 176.347 177.584 0.199 0.000 1.064 657 A CA -0.637 51.493 52.037 0.155 0.000 0.727 657 A CB 1.681 20.730 19.000 0.082 0.000 1.284 657 A HN 0.826 nan 8.150 nan 0.000 0.415 658 L N 1.708 123.016 121.223 0.141 0.000 2.262 658 L HA 0.472 4.827 4.340 0.024 0.000 0.288 658 L C -0.510 176.455 176.870 0.159 0.000 1.035 658 L CA 0.160 55.095 54.840 0.159 0.000 0.820 658 L CB 0.137 42.258 42.059 0.102 0.000 1.204 658 L HN 0.757 nan 8.230 nan 0.000 0.424 659 D N 4.906 125.466 120.400 0.267 0.000 2.704 659 D HA -0.221 4.433 4.640 0.024 0.000 0.232 659 D C 1.145 177.479 176.300 0.056 0.000 1.183 659 D CA 1.314 55.465 54.000 0.252 0.000 0.647 659 D CB -1.045 39.868 40.800 0.189 0.000 1.013 659 D HN 1.201 nan 8.370 nan 0.000 0.415 660 G N -0.575 108.208 108.800 -0.029 0.000 2.268 660 G HA2 -0.373 3.602 3.960 0.024 0.000 0.240 660 G HA3 -0.373 3.602 3.960 0.024 0.000 0.240 660 G C 0.180 174.996 174.900 -0.139 0.000 1.010 660 G CA 0.582 45.558 45.100 -0.206 0.000 0.618 660 G HN 0.528 nan 8.290 nan 0.000 0.516 661 K N 2.050 122.422 120.400 -0.048 0.000 2.234 661 K HA 0.581 4.915 4.320 0.024 0.000 0.277 661 K C -2.748 173.853 176.600 0.002 0.000 1.038 661 K CA -2.139 54.127 56.287 -0.035 0.000 0.888 661 K CB 1.503 33.995 32.500 -0.014 0.000 1.091 661 K HN 0.072 nan 8.250 nan 0.000 0.467 662 P HA -0.097 nan 4.420 nan 0.000 0.263 662 P C -0.137 177.181 177.300 0.031 0.000 1.195 662 P CA -0.010 63.095 63.100 0.008 0.000 0.762 662 P CB 0.615 32.301 31.700 -0.023 0.000 0.799 663 L N 2.595 123.858 121.223 0.066 0.000 2.433 663 L HA 0.522 4.877 4.340 0.024 0.000 0.200 663 L C 0.396 177.315 176.870 0.081 0.000 1.059 663 L CA 0.863 55.746 54.840 0.073 0.000 0.835 663 L CB 0.119 42.234 42.059 0.094 0.000 1.076 663 L HN 0.402 nan 8.230 nan 0.000 0.481 664 A N -0.735 122.158 122.820 0.121 0.000 2.586 664 A HA 0.646 4.980 4.320 0.024 0.000 0.290 664 A C -0.986 176.630 177.584 0.054 0.000 1.086 664 A CA 0.241 52.355 52.037 0.128 0.000 0.665 664 A CB 1.378 20.551 19.000 0.288 0.000 1.279 664 A HN 0.378 nan 8.150 nan 0.000 0.423 665 S N -1.333 114.166 115.700 -0.334 0.000 2.656 665 S HA 0.929 5.413 4.470 0.024 0.000 0.265 665 S C -0.247 173.344 174.600 -1.683 0.000 1.132 665 S CA 0.131 57.590 58.200 -1.234 0.000 0.819 665 S CB 0.733 63.613 63.200 -0.533 0.000 1.119 665 S HN 2.714 nan 8.310 nan 0.000 0.476 666 G N -0.241 107.180 108.800 -2.297 0.000 2.428 666 G HA2 0.617 4.591 3.960 0.024 0.000 0.304 666 G HA3 0.617 4.591 3.960 0.024 0.000 0.304 666 G C -2.247 171.938 174.900 -1.192 0.000 1.303 666 G CA -0.233 44.087 45.100 -1.300 0.000 0.825 666 G HN 1.214 nan 8.290 nan 0.000 0.484 667 E N -1.439 118.505 120.200 -0.425 0.000 2.356 667 E HA 0.686 5.051 4.350 0.024 0.000 0.275 667 E C -1.879 174.741 176.600 0.034 0.000 0.904 667 E CA -0.957 55.344 56.400 -0.164 0.000 0.757 667 E CB 2.647 32.303 29.700 -0.074 0.000 1.232 667 E HN 0.548 nan 8.360 nan 0.000 0.442 668 V N 2.159 122.126 119.914 0.089 0.000 2.808 668 V HA 0.418 4.552 4.120 0.024 0.000 0.308 668 V C -2.469 173.678 176.094 0.088 0.000 1.099 668 V CA -1.791 60.572 62.300 0.105 0.000 0.920 668 V CB 2.137 34.048 31.823 0.148 0.000 1.014 668 V HN 0.699 nan 8.190 nan 0.000 0.425 669 P HA 0.252 nan 4.420 nan 0.000 0.271 669 P C -0.855 176.488 177.300 0.073 0.000 1.218 669 P CA -0.147 62.994 63.100 0.068 0.000 0.780 669 P CB 0.980 32.717 31.700 0.061 0.000 0.901 670 L N 2.701 123.964 121.223 0.067 0.000 2.295 670 L HA 0.332 4.686 4.340 0.024 0.000 0.285 670 L C 0.151 177.082 176.870 0.102 0.000 1.035 670 L CA -0.003 54.875 54.840 0.062 0.000 0.806 670 L CB 1.140 43.199 42.059 -0.000 0.000 1.214 670 L HN 0.364 nan 8.230 nan 0.000 0.426 671 D N 3.682 124.154 120.400 0.120 0.000 2.517 671 D HA 0.295 4.949 4.640 0.024 0.000 0.263 671 D C -1.255 175.153 176.300 0.180 0.000 1.233 671 D CA -0.135 53.967 54.000 0.170 0.000 0.849 671 D CB 0.922 41.808 40.800 0.144 0.000 1.261 671 D HN 0.063 nan 8.370 nan 0.000 0.516 672 V N 0.820 120.825 119.914 0.151 0.000 2.555 672 V HA 0.894 5.029 4.120 0.024 0.000 0.302 672 V C 0.916 176.843 176.094 -0.278 0.000 1.038 672 V CA -1.268 61.063 62.300 0.052 0.000 0.887 672 V CB 1.240 33.154 31.823 0.151 0.000 0.991 672 V HN 0.482 nan 8.190 nan 0.000 0.434 673 A N 5.837 128.380 122.820 -0.463 0.000 2.313 673 A HA 0.701 5.036 4.320 0.024 0.000 0.261 673 A C -2.253 175.115 177.584 -0.360 0.000 1.090 673 A CA -1.491 49.964 52.037 -0.969 0.000 0.807 673 A CB -0.254 18.593 19.000 -0.256 0.000 1.055 673 A HN 0.729 nan 8.150 nan 0.000 0.492 674 P HA 0.007 nan 4.420 nan 0.000 0.262 674 P C -0.497 176.751 177.300 -0.086 0.000 1.182 674 P CA 0.666 63.708 63.100 -0.097 0.000 0.761 674 P CB 0.607 32.269 31.700 -0.064 0.000 0.795 675 Q N -0.930 118.822 119.800 -0.080 0.000 2.305 675 Q HA -0.166 4.188 4.340 0.024 0.000 0.203 675 Q C 0.821 176.795 176.000 -0.044 0.000 0.663 675 Q CA 1.858 57.618 55.803 -0.072 0.000 1.389 675 Q CB -2.611 26.084 28.738 -0.072 0.000 1.566 675 Q HN 0.754 nan 8.270 nan 0.000 0.755 676 G N 0.338 109.114 108.800 -0.039 0.000 2.563 676 G HA2 0.500 4.474 3.960 0.024 0.000 0.283 676 G HA3 0.500 4.474 3.960 0.024 0.000 0.283 676 G C -0.227 174.682 174.900 0.015 0.000 1.309 676 G CA -0.409 44.684 45.100 -0.012 0.000 1.022 676 G HN 0.011 nan 8.290 nan 0.000 0.501 677 K N -0.860 119.558 120.400 0.030 0.000 2.435 677 K HA 0.453 4.787 4.320 0.024 0.000 0.251 677 K C -0.900 175.735 176.600 0.058 0.000 0.954 677 K CA -0.611 55.703 56.287 0.045 0.000 0.820 677 K CB 2.548 35.068 32.500 0.033 0.000 1.292 677 K HN 0.549 nan 8.250 nan 0.000 0.436 678 Q N 3.084 122.927 119.800 0.071 0.000 2.331 678 Q HA 0.436 4.790 4.340 0.024 0.000 0.272 678 Q C -1.665 174.374 176.000 0.064 0.000 1.062 678 Q CA -0.727 55.119 55.803 0.071 0.000 0.806 678 Q CB 1.451 30.241 28.738 0.086 0.000 1.312 678 Q HN 0.536 nan 8.270 nan 0.000 0.431 679 L N 3.845 125.096 121.223 0.046 0.000 2.317 679 L HA 0.564 4.918 4.340 0.024 0.000 0.281 679 L C -0.859 176.024 176.870 0.022 0.000 1.024 679 L CA -1.010 53.847 54.840 0.027 0.000 0.810 679 L CB 1.430 43.495 42.059 0.010 0.000 1.240 679 L HN 0.583 nan 8.230 nan 0.000 0.427 680 I N 2.712 123.284 120.570 0.004 0.000 2.439 680 I HA 0.231 4.415 4.170 0.024 0.000 0.285 680 I C -0.270 175.799 176.117 -0.080 0.000 1.021 680 I CA -0.511 60.781 61.300 -0.013 0.000 1.091 680 I CB 1.872 39.880 38.000 0.014 0.000 1.242 680 I HN 0.460 nan 8.210 nan 0.000 0.439 681 E N 6.747 126.900 120.200 -0.079 0.000 2.200 681 E HA 0.420 4.785 4.350 0.024 0.000 0.283 681 E C -0.498 175.985 176.600 -0.194 0.000 1.015 681 E CA -0.715 55.607 56.400 -0.130 0.000 0.819 681 E CB 1.715 31.360 29.700 -0.090 0.000 1.081 681 E HN 0.419 nan 8.360 nan 0.000 0.397 682 L N 4.355 125.387 121.223 -0.319 0.000 2.439 682 L HA 0.187 4.541 4.340 0.024 0.000 0.269 682 L C -1.835 174.865 176.870 -0.284 0.000 1.179 682 L CA -1.536 53.008 54.840 -0.495 0.000 0.828 682 L CB 0.016 41.674 42.059 -0.669 0.000 1.106 682 L HN 0.273 nan 8.230 nan 0.000 0.467 683 P HA 0.038 nan 4.420 nan 0.000 0.276 683 P C -0.618 176.628 177.300 -0.090 0.000 1.261 683 P CA -0.642 62.411 63.100 -0.078 0.000 0.800 683 P CB 0.407 32.120 31.700 0.021 0.000 1.066 684 E N 0.647 120.817 120.200 -0.050 0.000 2.900 684 E HA -0.111 4.253 4.350 0.024 0.000 0.259 684 E C -0.452 176.126 176.600 -0.036 0.000 0.918 684 E CA 0.615 56.989 56.400 -0.042 0.000 0.960 684 E CB -0.025 29.664 29.700 -0.019 0.000 0.908 684 E HN 0.322 nan 8.360 nan 0.000 0.511 685 L N 8.122 129.315 121.223 -0.050 0.000 2.389 685 L HA 0.220 4.574 4.340 0.024 0.000 0.265 685 L C -1.985 174.880 176.870 -0.008 0.000 1.167 685 L CA -1.939 52.881 54.840 -0.034 0.000 1.045 685 L CB 0.315 42.336 42.059 -0.063 0.000 1.351 685 L HN 0.262 nan 8.230 nan 0.000 0.419 686 P HA -0.056 nan 4.420 nan 0.000 0.260 686 P C -0.231 177.080 177.300 0.018 0.000 1.172 686 P CA -0.116 62.994 63.100 0.016 0.000 0.760 686 P CB 0.218 31.934 31.700 0.028 0.000 0.773 687 Q N 3.994 123.801 119.800 0.011 0.000 2.616 687 Q HA 0.102 4.456 4.340 0.024 0.000 0.269 687 Q C -1.852 174.160 176.000 0.020 0.000 1.148 687 Q CA -0.299 55.511 55.803 0.012 0.000 1.003 687 Q CB -1.112 27.630 28.738 0.007 0.000 1.322 687 Q HN 0.453 nan 8.270 nan 0.000 0.518 688 P HA 0.296 nan 4.420 nan 0.000 0.313 688 P C -1.320 175.994 177.300 0.024 0.000 1.452 688 P CA -0.709 62.408 63.100 0.027 0.000 1.129 688 P CB 1.514 33.234 31.700 0.034 0.000 1.417 689 E N 1.346 121.561 120.200 0.025 0.000 1.998 689 E HA 0.536 4.900 4.350 0.024 0.000 0.257 689 E C -0.716 175.899 176.600 0.026 0.000 1.038 689 E CA -0.579 55.834 56.400 0.022 0.000 0.869 689 E CB 0.324 30.036 29.700 0.020 0.000 1.135 689 E HN 0.295 nan 8.360 nan 0.000 0.430 690 S N 0.181 115.898 115.700 0.028 0.000 2.925 690 S HA 0.247 4.731 4.470 0.024 0.000 0.262 690 S C -0.904 173.719 174.600 0.037 0.000 0.725 690 S CA -0.474 57.746 58.200 0.033 0.000 0.871 690 S CB 0.457 63.680 63.200 0.039 0.000 1.096 690 S HN 0.707 nan 8.310 nan 0.000 0.551 691 A N 1.520 124.364 122.820 0.039 0.000 2.327 691 A HA 0.898 5.232 4.320 0.024 0.000 0.255 691 A C 1.030 178.647 177.584 0.055 0.000 1.099 691 A CA 0.732 52.794 52.037 0.041 0.000 0.801 691 A CB -0.260 18.766 19.000 0.043 0.000 1.062 691 A HN 2.413 nan 8.150 nan 0.000 0.496 692 G N -1.131 107.703 108.800 0.058 0.000 2.355 692 G HA2 0.433 4.407 3.960 0.024 0.000 0.619 692 G HA3 0.433 4.407 3.960 0.024 0.000 0.619 692 G C -1.021 173.920 174.900 0.068 0.000 1.337 692 G CA -0.110 45.039 45.100 0.083 0.000 0.993 692 G HN 1.221 nan 8.290 nan 0.000 0.599 693 Q N -0.386 119.475 119.800 0.102 0.000 2.290 693 Q HA 0.738 5.093 4.340 0.024 0.000 0.259 693 Q C -0.324 175.745 176.000 0.115 0.000 0.941 693 Q CA -0.570 55.259 55.803 0.043 0.000 0.912 693 Q CB 1.273 30.018 28.738 0.012 0.000 1.244 693 Q HN 0.602 nan 8.270 nan 0.000 0.441 694 L N 4.272 125.500 121.223 0.009 0.000 2.326 694 L HA 0.501 4.856 4.340 0.024 0.000 0.278 694 L C -0.882 175.988 176.870 0.001 0.000 1.092 694 L CA -0.349 54.538 54.840 0.079 0.000 0.810 694 L CB 0.754 42.837 42.059 0.040 0.000 1.153 694 L HN 0.689 nan 8.230 nan 0.000 0.439 695 W N 4.317 125.679 121.300 0.103 0.000 2.739 695 W HA 0.501 5.175 4.660 0.023 0.000 0.331 695 W C -0.913 175.712 176.519 0.175 0.000 1.049 695 W CA -0.532 56.898 57.345 0.142 0.000 1.234 695 W CB 1.662 31.230 29.460 0.181 0.000 1.404 695 W HN 0.094 nan 8.180 nan 0.000 0.477 696 L N 3.672 125.165 121.223 0.449 0.000 2.282 696 L HA 0.772 5.126 4.340 0.024 0.000 0.288 696 L C -0.308 176.875 176.870 0.521 0.000 1.033 696 L CA 0.102 55.194 54.840 0.420 0.000 0.807 696 L CB 1.152 43.413 42.059 0.336 0.000 1.209 696 L HN 0.344 nan 8.230 nan 0.000 0.423 697 T N 4.902 119.719 114.554 0.438 0.000 2.861 697 T HA 0.693 5.058 4.350 0.024 0.000 0.287 697 T C -0.779 174.150 174.700 0.381 0.000 1.003 697 T CA -0.481 61.847 62.100 0.381 0.000 0.977 697 T CB 1.682 70.711 68.868 0.269 0.000 0.996 697 T HN 0.615 nan 8.240 nan 0.000 0.448 698 V N 1.292 121.402 119.914 0.326 0.000 2.735 698 V HA 0.949 5.083 4.120 0.024 0.000 0.310 698 V C -0.741 175.472 176.094 0.199 0.000 1.061 698 V CA -1.275 61.178 62.300 0.255 0.000 0.913 698 V CB 1.900 33.795 31.823 0.119 0.000 1.005 698 V HN 1.053 nan 8.190 nan 0.000 0.428 699 R N 2.292 122.933 120.500 0.235 0.000 2.651 699 R HA 0.836 5.190 4.340 0.024 0.000 0.278 699 R C -2.182 174.262 176.300 0.239 0.000 1.010 699 R CA -0.799 55.456 56.100 0.258 0.000 0.896 699 R CB 2.299 32.722 30.300 0.205 0.000 1.211 699 R HN 0.548 nan 8.270 nan 0.000 0.456 700 V N 3.212 123.292 119.914 0.276 0.000 2.350 700 V HA 0.360 4.494 4.120 0.024 0.000 0.276 700 V C -0.330 175.885 176.094 0.201 0.000 1.028 700 V CA -0.572 61.858 62.300 0.216 0.000 0.860 700 V CB 1.414 33.360 31.823 0.204 0.000 0.990 700 V HN 0.546 nan 8.190 nan 0.000 0.453 701 V N 5.263 125.266 119.914 0.148 0.000 2.555 701 V HA 0.422 4.556 4.120 0.024 0.000 0.302 701 V C -0.262 175.910 176.094 0.129 0.000 1.038 701 V CA -0.761 61.612 62.300 0.122 0.000 0.887 701 V CB 2.074 33.943 31.823 0.077 0.000 0.991 701 V HN 0.882 nan 8.190 nan 0.000 0.434 702 Q N 5.502 125.390 119.800 0.146 0.000 2.398 702 Q HA 0.282 4.636 4.340 0.024 0.000 0.251 702 Q C -1.772 174.268 176.000 0.066 0.000 0.999 702 Q CA -1.801 54.077 55.803 0.125 0.000 0.874 702 Q CB 1.886 30.712 28.738 0.146 0.000 1.215 702 Q HN 0.468 nan 8.270 nan 0.000 0.470 703 P HA -0.173 nan 4.420 nan 0.000 0.218 703 P C -0.540 176.764 177.300 0.007 0.000 1.149 703 P CA 1.151 64.267 63.100 0.028 0.000 0.817 703 P CB 0.344 32.061 31.700 0.029 0.000 0.785 704 N N -0.536 118.162 118.700 -0.004 0.000 2.443 704 N HA 0.444 5.198 4.740 0.024 0.000 0.295 704 N C -0.244 175.221 175.510 -0.076 0.000 1.076 704 N CA -0.653 52.380 53.050 -0.029 0.000 0.919 704 N CB 1.065 39.539 38.487 -0.022 0.000 1.176 704 N HN -0.041 nan 8.380 nan 0.000 0.487 705 A N 0.893 123.662 122.820 -0.086 0.000 2.386 705 A HA 0.512 4.846 4.320 0.024 0.000 0.246 705 A C 0.571 178.038 177.584 -0.195 0.000 1.089 705 A CA -0.016 51.933 52.037 -0.147 0.000 0.790 705 A CB 0.060 18.998 19.000 -0.103 0.000 1.042 705 A HN 0.711 nan 8.150 nan 0.000 0.497 706 T N -3.677 110.678 114.554 -0.331 0.000 2.716 706 T HA 0.612 4.977 4.350 0.024 0.000 0.286 706 T C 0.929 175.475 174.700 -0.257 0.000 1.052 706 T CA 0.072 61.974 62.100 -0.329 0.000 1.024 706 T CB 1.034 69.503 68.868 -0.665 0.000 1.349 706 T HN 1.468 nan 8.240 nan 0.000 0.525 707 A N -0.003 122.768 122.820 -0.081 0.000 2.125 707 A HA 0.071 4.405 4.320 0.024 0.000 0.219 707 A C 1.621 179.341 177.584 0.226 0.000 1.156 707 A CA 1.364 53.457 52.037 0.093 0.000 0.671 707 A CB -0.948 18.134 19.000 0.137 0.000 0.794 707 A HN 0.924 nan 8.150 nan 0.000 0.459 708 W N -1.055 120.302 121.300 0.096 0.000 2.714 708 W HA 0.416 5.091 4.660 0.025 0.000 0.353 708 W C -0.228 176.263 176.519 -0.046 0.000 0.999 708 W CA 0.489 57.865 57.345 0.052 0.000 1.629 708 W CB -0.969 28.513 29.460 0.036 0.000 1.106 708 W HN 0.394 nan 8.180 nan 0.000 0.545 709 S N 0.035 115.287 115.700 -0.746 0.000 2.579 709 S HA 0.495 4.979 4.470 0.024 0.000 0.272 709 S C -0.985 173.383 174.600 -0.386 0.000 1.141 709 S CA -0.750 57.058 58.200 -0.654 0.000 0.843 709 S CB 2.803 65.250 63.200 -1.256 0.000 1.122 709 S HN 0.101 nan 8.310 nan 0.000 0.468 710 E N 0.398 120.482 120.200 -0.193 0.000 2.280 710 E HA 0.625 4.989 4.350 0.024 0.000 0.264 710 E C 0.126 176.685 176.600 -0.070 0.000 1.064 710 E CA -0.971 55.371 56.400 -0.097 0.000 0.900 710 E CB 1.228 30.914 29.700 -0.022 0.000 1.123 710 E HN 0.869 nan 8.360 nan 0.000 0.418 711 A N 0.478 123.271 122.820 -0.046 0.000 2.498 711 A HA 0.393 4.727 4.320 0.024 0.000 0.239 711 A C 1.122 178.711 177.584 0.008 0.000 1.068 711 A CA 0.790 52.813 52.037 -0.023 0.000 0.766 711 A CB -0.489 18.500 19.000 -0.019 0.000 1.003 711 A HN 0.807 nan 8.150 nan 0.000 0.497 712 G N 0.473 109.288 108.800 0.026 0.000 2.195 712 G HA2 -0.258 3.716 3.960 0.024 0.000 0.246 712 G HA3 -0.258 3.716 3.960 0.024 0.000 0.246 712 G C 0.298 175.234 174.900 0.061 0.000 0.984 712 G CA 0.709 45.828 45.100 0.032 0.000 0.633 712 G HN 1.822 nan 8.290 nan 0.000 0.525 713 H N 0.834 119.901 119.070 -0.006 0.000 3.140 713 H HA 0.335 4.905 4.556 0.024 0.000 0.316 713 H C 0.737 176.130 175.328 0.107 0.000 0.986 713 H CA 0.667 56.736 56.048 0.035 0.000 1.397 713 H CB 0.114 29.866 29.762 -0.018 0.000 1.377 713 H HN 0.339 nan 8.280 nan 0.000 0.585 714 I N 4.785 125.116 120.570 -0.397 0.000 2.315 714 I HA 0.035 4.219 4.170 0.024 0.000 0.291 714 I C 0.938 176.927 176.117 -0.212 0.000 1.006 714 I CA 0.090 61.286 61.300 -0.174 0.000 1.265 714 I CB 1.473 39.425 38.000 -0.081 0.000 1.387 714 I HN 0.788 nan 8.210 nan 0.000 0.475 715 S N 4.214 120.022 115.700 0.182 0.000 2.511 715 S HA 0.573 5.057 4.470 0.024 0.000 0.214 715 S C 0.420 175.321 174.600 0.502 0.000 0.997 715 S CA -0.024 58.434 58.200 0.431 0.000 0.908 715 S CB 0.545 64.118 63.200 0.621 0.000 0.803 715 S HN 0.715 nan 8.310 nan 0.000 0.504 716 A N 0.479 123.632 122.820 0.554 0.000 2.597 716 A HA 0.658 4.993 4.320 0.024 0.000 0.292 716 A C -1.790 176.192 177.584 0.663 0.000 1.057 716 A CA -0.899 51.438 52.037 0.500 0.000 0.674 716 A CB 0.342 19.691 19.000 0.582 0.000 1.278 716 A HN 0.928 nan 8.150 nan 0.000 0.416 717 W N -0.175 121.327 121.300 0.336 0.000 3.005 717 W HA 0.815 5.489 4.660 0.025 0.000 0.343 717 W C -1.164 175.429 176.519 0.122 0.000 1.243 717 W CA -0.638 56.794 57.345 0.146 0.000 1.186 717 W CB 1.216 30.726 29.460 0.084 0.000 1.453 717 W HN 1.011 nan 8.180 nan 0.000 0.575 718 Q N 1.054 120.911 119.800 0.096 0.000 2.527 718 Q HA 0.427 4.781 4.340 0.024 0.000 0.280 718 Q C -1.646 174.235 176.000 -0.198 0.000 0.977 718 Q CA -0.447 55.252 55.803 -0.173 0.000 0.837 718 Q CB 2.461 30.927 28.738 -0.453 0.000 1.454 718 Q HN 0.615 nan 8.270 nan 0.000 0.387 719 Q N 1.457 121.060 119.800 -0.329 0.000 2.423 719 Q HA 0.646 5.000 4.340 0.024 0.000 0.278 719 Q C -1.252 174.612 176.000 -0.226 0.000 1.097 719 Q CA -0.687 55.103 55.803 -0.021 0.000 0.809 719 Q CB 2.276 31.182 28.738 0.280 0.000 1.391 719 Q HN 0.627 nan 8.270 nan 0.000 0.428 720 W N 1.026 122.482 121.300 0.260 0.000 3.127 720 W HA 0.442 5.116 4.660 0.023 0.000 0.330 720 W C -0.435 175.989 176.519 -0.158 0.000 1.187 720 W CA -0.682 56.704 57.345 0.067 0.000 1.198 720 W CB 1.723 31.191 29.460 0.013 0.000 1.408 720 W HN 0.419 nan 8.180 nan 0.000 0.529 721 R N 1.690 122.037 120.500 -0.254 0.000 2.390 721 R HA 0.518 4.872 4.340 0.024 0.000 0.291 721 R C 0.445 176.589 176.300 -0.259 0.000 1.070 721 R CA -0.174 55.517 56.100 -0.682 0.000 1.014 721 R CB 1.251 31.077 30.300 -0.790 0.000 1.007 721 R HN 0.317 nan 8.270 nan 0.000 0.466 722 L N 1.140 122.226 121.223 -0.228 0.000 2.731 722 L HA 0.553 4.908 4.340 0.024 0.000 0.199 722 L C 0.627 177.416 176.870 -0.135 0.000 1.976 722 L CA -1.002 53.763 54.840 -0.126 0.000 2.802 722 L CB -0.133 41.884 42.059 -0.070 0.000 2.882 722 L HN 0.594 nan 8.230 nan 0.000 0.651 723 A N 0.152 122.919 122.820 -0.089 0.000 2.386 723 A HA 0.268 4.602 4.320 0.024 0.000 0.246 723 A C -0.354 177.184 177.584 -0.077 0.000 1.089 723 A CA 0.182 52.174 52.037 -0.076 0.000 0.790 723 A CB 0.314 19.286 19.000 -0.047 0.000 1.042 723 A HN 0.622 nan 8.150 nan 0.000 0.497 724 E N 0.375 120.538 120.200 -0.062 0.000 2.272 724 E HA 0.313 4.677 4.350 0.024 0.000 0.269 724 E C -1.548 175.041 176.600 -0.018 0.000 0.877 724 E CA -0.724 55.648 56.400 -0.045 0.000 0.755 724 E CB 1.031 30.694 29.700 -0.061 0.000 1.192 724 E HN 0.672 nan 8.360 nan 0.000 0.422 725 N N 4.959 123.660 118.700 0.001 0.000 2.558 725 N HA 0.265 5.019 4.740 0.024 0.000 0.242 725 N C -0.563 174.958 175.510 0.018 0.000 0.979 725 N CA -0.327 52.728 53.050 0.009 0.000 0.931 725 N CB 1.091 39.586 38.487 0.013 0.000 1.122 725 N HN 0.453 nan 8.380 nan 0.000 0.508 726 L N 0.747 121.980 121.223 0.016 0.000 2.456 726 L HA 0.074 4.429 4.340 0.024 0.000 0.272 726 L C 1.355 178.242 176.870 0.028 0.000 1.189 726 L CA 0.147 55.001 54.840 0.024 0.000 0.846 726 L CB 0.370 42.442 42.059 0.022 0.000 1.111 726 L HN 0.350 nan 8.230 nan 0.000 0.475 727 S N 1.525 117.247 115.700 0.036 0.000 2.488 727 S HA 0.205 4.689 4.470 0.024 0.000 0.278 727 S C 0.709 175.328 174.600 0.031 0.000 1.259 727 S CA -0.735 57.486 58.200 0.036 0.000 1.061 727 S CB 0.595 63.820 63.200 0.043 0.000 0.910 727 S HN 0.473 nan 8.310 nan 0.000 0.491 728 V N 2.311 122.240 119.914 0.025 0.000 3.477 728 V HA 0.302 4.436 4.120 0.024 0.000 0.297 728 V C 0.804 176.911 176.094 0.021 0.000 1.433 728 V CA 0.138 62.451 62.300 0.022 0.000 1.052 728 V CB -0.717 31.116 31.823 0.018 0.000 0.895 728 V HN 0.854 nan 8.190 nan 0.000 0.438 729 T N 2.082 116.649 114.554 0.023 0.000 2.814 729 T HA 0.621 4.985 4.350 0.024 0.000 0.297 729 T C 0.019 174.731 174.700 0.020 0.000 0.956 729 T CA -0.478 61.635 62.100 0.020 0.000 1.123 729 T CB 0.735 69.615 68.868 0.019 0.000 0.902 729 T HN 0.466 nan 8.240 nan 0.000 0.528 730 L N 3.133 124.366 121.223 0.017 0.000 2.473 730 L HA 0.366 4.720 4.340 0.024 0.000 0.268 730 L C -0.877 176.001 176.870 0.014 0.000 1.215 730 L CA -1.553 53.297 54.840 0.016 0.000 0.823 730 L CB -1.361 40.706 42.059 0.013 0.000 1.099 730 L HN 0.363 nan 8.230 nan 0.000 0.483 731 P HA -0.290 nan 4.420 nan 0.000 0.233 731 P C 0.323 177.621 177.300 -0.003 0.000 0.801 731 P CA 2.019 65.123 63.100 0.006 0.000 1.108 731 P CB -0.081 31.621 31.700 0.002 0.000 0.711 732 A N -4.243 118.568 122.820 -0.014 0.000 2.194 732 A HA 0.479 4.813 4.320 0.024 0.000 0.226 732 A C 0.331 177.886 177.584 -0.048 0.000 2.883 732 A CA 0.326 52.348 52.037 -0.025 0.000 1.843 732 A CB -1.141 17.841 19.000 -0.031 0.000 0.206 732 A HN 0.849 nan 8.150 nan 0.000 0.756 733 A N 0.577 123.379 122.820 -0.030 0.000 1.897 733 A HA 0.160 4.495 4.320 0.024 0.000 0.251 733 A C 0.917 178.468 177.584 -0.055 0.000 1.288 733 A CA 1.071 53.092 52.037 -0.025 0.000 0.747 733 A CB -2.247 16.754 19.000 0.002 0.000 1.182 733 A HN 2.151 nan 8.150 nan 0.000 0.292 734 S N 0.869 116.523 115.700 -0.076 0.000 2.734 734 S HA -0.160 4.324 4.470 0.024 0.000 0.330 734 S C 0.962 175.539 174.600 -0.038 0.000 1.230 734 S CA 1.060 59.201 58.200 -0.099 0.000 1.009 734 S CB -0.047 63.136 63.200 -0.029 0.000 0.685 734 S HN 0.791 nan 8.310 nan 0.000 0.468 735 H N 0.783 119.871 119.070 0.030 0.000 2.384 735 H HA 0.321 4.892 4.556 0.024 0.000 0.300 735 H C 1.081 176.425 175.328 0.028 0.000 1.057 735 H CA 0.779 56.843 56.048 0.027 0.000 1.370 735 H CB 0.185 29.963 29.762 0.027 0.000 1.417 735 H HN 0.730 nan 8.280 nan 0.000 0.527 736 A N 0.791 123.703 122.820 0.153 0.000 2.387 736 A HA 0.539 4.873 4.320 0.024 0.000 0.303 736 A C -1.080 176.550 177.584 0.077 0.000 1.145 736 A CA -0.688 51.412 52.037 0.104 0.000 0.801 736 A CB 1.014 20.078 19.000 0.107 0.000 1.342 736 A HN 0.269 nan 8.150 nan 0.000 0.440 737 I N 0.433 121.044 120.570 0.069 0.000 2.378 737 I HA 0.654 4.838 4.170 0.024 0.000 0.291 737 I C -2.598 173.564 176.117 0.075 0.000 0.992 737 I CA -2.111 59.222 61.300 0.056 0.000 1.154 737 I CB 1.745 39.768 38.000 0.039 0.000 1.315 737 I HN 0.297 nan 8.210 nan 0.000 0.448 738 P HA 0.128 nan 4.420 nan 0.000 0.271 738 P C -1.318 176.046 177.300 0.106 0.000 1.218 738 P CA 0.112 63.265 63.100 0.088 0.000 0.780 738 P CB 0.355 32.062 31.700 0.012 0.000 0.901 739 H N 2.530 121.633 119.070 0.055 0.000 2.459 739 H HA 0.383 4.953 4.556 0.024 0.000 0.332 739 H C -1.116 174.244 175.328 0.054 0.000 1.094 739 H CA -0.886 55.188 56.048 0.044 0.000 1.224 739 H CB 1.224 31.016 29.762 0.050 0.000 1.449 739 H HN 0.230 nan 8.280 nan 0.000 0.484 740 L N 4.708 125.557 121.223 -0.623 0.000 2.289 740 L HA 0.313 4.668 4.340 0.024 0.000 0.285 740 L C -0.718 175.876 176.870 -0.461 0.000 1.049 740 L CA -0.057 54.562 54.840 -0.369 0.000 0.804 740 L CB 1.510 43.409 42.059 -0.267 0.000 1.195 740 L HN 0.552 nan 8.230 nan 0.000 0.428 741 T N 3.608 118.146 114.554 -0.027 0.000 2.772 741 T HA 0.422 4.786 4.350 0.024 0.000 0.288 741 T C -0.163 174.629 174.700 0.154 0.000 0.994 741 T CA -0.323 61.849 62.100 0.120 0.000 0.951 741 T CB 0.824 69.828 68.868 0.227 0.000 0.933 741 T HN 0.701 nan 8.240 nan 0.000 0.447 742 T N 3.406 118.046 114.554 0.144 0.000 2.837 742 T HA 0.666 5.030 4.350 0.024 0.000 0.285 742 T C 0.186 174.931 174.700 0.075 0.000 0.984 742 T CA -0.641 61.570 62.100 0.186 0.000 1.049 742 T CB 0.974 69.977 68.868 0.225 0.000 0.947 742 T HN 0.725 nan 8.240 nan 0.000 0.472 743 S N 1.816 117.512 115.700 -0.007 0.000 2.651 743 S HA 0.471 4.956 4.470 0.024 0.000 0.279 743 S C 0.765 175.306 174.600 -0.099 0.000 1.148 743 S CA -0.933 57.248 58.200 -0.032 0.000 0.837 743 S CB 1.539 64.730 63.200 -0.015 0.000 1.138 743 S HN 0.477 nan 8.310 nan 0.000 0.478 744 E N 0.626 120.783 120.200 -0.071 0.000 2.070 744 E HA -0.157 4.208 4.350 0.024 0.000 0.197 744 E C 1.605 178.125 176.600 -0.132 0.000 1.004 744 E CA 1.854 58.201 56.400 -0.088 0.000 0.805 744 E CB -0.406 29.264 29.700 -0.050 0.000 0.744 744 E HN 0.795 nan 8.360 nan 0.000 0.451 745 M N -0.801 118.735 119.600 -0.106 0.000 2.371 745 M HA 0.343 4.837 4.480 0.024 0.000 0.246 745 M C -0.556 175.654 176.300 -0.150 0.000 1.103 745 M CA 0.109 55.340 55.300 -0.115 0.000 1.010 745 M CB 0.309 32.873 32.600 -0.060 0.000 1.457 745 M HN -0.322 nan 8.290 nan 0.000 0.486 746 D N -0.073 120.209 120.400 -0.197 0.000 2.609 746 D HA 0.421 5.075 4.640 0.024 0.000 0.239 746 D C -1.575 174.598 176.300 -0.211 0.000 1.229 746 D CA -0.260 53.647 54.000 -0.154 0.000 0.808 746 D CB 2.061 42.875 40.800 0.024 0.000 1.448 746 D HN 0.138 nan 8.370 nan 0.000 0.433 747 F N 0.972 121.001 119.950 0.132 0.000 2.402 747 F HA 0.383 4.924 4.527 0.024 0.000 0.355 747 F C 0.120 176.055 175.800 0.224 0.000 1.123 747 F CA -0.716 57.357 58.000 0.122 0.000 1.021 747 F CB 1.312 40.344 39.000 0.053 0.000 1.160 747 F HN 0.044 nan 8.300 nan 0.000 0.451 748 C N 4.579 124.095 119.300 0.359 0.000 2.456 748 C HA 0.746 5.220 4.460 0.024 0.000 0.325 748 C C -0.282 174.888 174.990 0.300 0.000 1.217 748 C CA -0.805 58.407 59.018 0.324 0.000 1.687 748 C CB 1.065 28.934 27.740 0.215 0.000 2.270 748 C HN 0.573 nan 8.230 nan 0.000 0.499 749 I N 2.680 123.477 120.570 0.377 0.000 2.545 749 I HA 0.462 4.646 4.170 0.024 0.000 0.292 749 I C -0.544 175.843 176.117 0.450 0.000 1.040 749 I CA -0.129 61.368 61.300 0.328 0.000 1.068 749 I CB 1.763 39.901 38.000 0.229 0.000 1.251 749 I HN 0.612 nan 8.210 nan 0.000 0.424 750 E N 6.131 126.547 120.200 0.360 0.000 2.222 750 E HA 0.770 5.134 4.350 0.024 0.000 0.267 750 E C -1.345 175.449 176.600 0.323 0.000 0.884 750 E CA -0.658 55.937 56.400 0.326 0.000 0.764 750 E CB 2.573 32.388 29.700 0.192 0.000 1.169 750 E HN 0.377 nan 8.360 nan 0.000 0.413 751 L N 2.441 123.869 121.223 0.342 0.000 2.611 751 L HA 0.606 4.961 4.340 0.024 0.000 0.263 751 L C 0.260 177.239 176.870 0.181 0.000 0.969 751 L CA 0.572 55.579 54.840 0.278 0.000 0.894 751 L CB 0.976 43.249 42.059 0.358 0.000 1.229 751 L HN 0.694 nan 8.230 nan 0.000 0.416 752 G N 4.239 113.104 108.800 0.108 0.000 2.531 752 G HA2 -0.373 3.601 3.960 0.024 0.000 0.274 752 G HA3 -0.373 3.601 3.960 0.024 0.000 0.274 752 G C 0.325 175.239 174.900 0.023 0.000 1.159 752 G CA 0.435 45.572 45.100 0.061 0.000 0.969 752 G HN 1.284 nan 8.290 nan 0.000 0.554 753 N N 1.245 119.944 118.700 -0.002 0.000 2.295 753 N HA 0.221 4.976 4.740 0.024 0.000 0.221 753 N C 0.172 175.639 175.510 -0.071 0.000 1.129 753 N CA 0.498 53.528 53.050 -0.034 0.000 0.836 753 N CB 0.309 38.775 38.487 -0.035 0.000 1.040 753 N HN 0.715 nan 8.380 nan 0.000 0.494 754 K N 0.149 120.492 120.400 -0.096 0.000 2.208 754 K HA 0.503 4.838 4.320 0.024 0.000 0.247 754 K C -0.509 175.939 176.600 -0.253 0.000 0.953 754 K CA -0.661 55.455 56.287 -0.286 0.000 0.837 754 K CB 2.372 34.553 32.500 -0.532 0.000 1.131 754 K HN 0.011 nan 8.250 nan 0.000 0.431 755 R N 1.446 121.738 120.500 -0.346 0.000 2.668 755 R HA 0.401 4.756 4.340 0.024 0.000 0.272 755 R C -1.625 174.670 176.300 -0.008 0.000 1.019 755 R CA -0.631 55.468 56.100 -0.002 0.000 0.894 755 R CB 1.306 31.605 30.300 -0.002 0.000 1.228 755 R HN 0.641 nan 8.270 nan 0.000 0.460 756 W N 3.063 124.478 121.300 0.192 0.000 2.883 756 W HA 0.314 4.989 4.660 0.024 0.000 0.335 756 W C -0.769 175.823 176.519 0.122 0.000 1.083 756 W CA -0.675 56.709 57.345 0.065 0.000 1.233 756 W CB 2.263 31.730 29.460 0.011 0.000 1.412 756 W HN 0.475 nan 8.180 nan 0.000 0.490 757 Q N 2.602 122.525 119.800 0.204 0.000 2.330 757 Q HA 0.450 4.804 4.340 0.024 0.000 0.269 757 Q C -1.943 174.019 176.000 -0.065 0.000 1.022 757 Q CA -0.486 55.440 55.803 0.205 0.000 0.796 757 Q CB 1.456 30.381 28.738 0.311 0.000 1.271 757 Q HN 0.349 nan 8.270 nan 0.000 0.450 758 F N 2.872 122.916 119.950 0.157 0.000 2.402 758 F HA 0.314 4.855 4.527 0.024 0.000 0.355 758 F C 0.557 176.405 175.800 0.080 0.000 1.123 758 F CA -0.916 57.146 58.000 0.104 0.000 1.021 758 F CB 1.203 40.262 39.000 0.099 0.000 1.160 758 F HN 0.503 nan 8.300 nan 0.000 0.451 759 N N 3.635 122.449 118.700 0.190 0.000 2.442 759 N HA 0.076 4.830 4.740 0.024 0.000 0.265 759 N C 0.938 176.483 175.510 0.059 0.000 1.138 759 N CA 0.019 53.128 53.050 0.100 0.000 0.956 759 N CB 0.742 39.292 38.487 0.104 0.000 1.067 759 N HN 0.682 nan 8.380 nan 0.000 0.474 760 R N 2.466 122.932 120.500 -0.058 0.000 2.235 760 R HA -0.042 4.312 4.340 0.024 0.000 0.213 760 R C 1.454 177.715 176.300 -0.065 0.000 1.059 760 R CA 0.985 57.011 56.100 -0.122 0.000 0.997 760 R CB 0.255 30.345 30.300 -0.350 0.000 0.884 760 R HN 0.671 nan 8.270 nan 0.000 0.462 761 Q N -0.203 119.577 119.800 -0.032 0.000 2.250 761 Q HA -0.020 4.334 4.340 0.024 0.000 0.200 761 Q C 2.143 178.143 176.000 0.000 0.000 0.941 761 Q CA 1.436 57.228 55.803 -0.019 0.000 0.872 761 Q CB 0.413 29.149 28.738 -0.003 0.000 0.965 761 Q HN 0.327 nan 8.270 nan 0.000 0.480 762 S N -1.137 114.586 115.700 0.038 0.000 2.421 762 S HA 0.086 4.571 4.470 0.024 0.000 0.224 762 S C 1.554 176.105 174.600 -0.081 0.000 1.035 762 S CA 0.852 59.096 58.200 0.074 0.000 0.953 762 S CB 0.285 63.623 63.200 0.232 0.000 0.810 762 S HN 0.462 nan 8.310 nan 0.000 0.497 763 G N 0.342 109.108 108.800 -0.056 0.000 2.141 763 G HA2 -0.196 3.779 3.960 0.024 0.000 0.242 763 G HA3 -0.196 3.779 3.960 0.024 0.000 0.242 763 G C -0.092 174.735 174.900 -0.121 0.000 0.982 763 G CA 0.262 45.304 45.100 -0.097 0.000 0.662 763 G HN 0.539 nan 8.290 nan 0.000 0.527 764 F N -1.278 118.857 119.950 0.310 0.000 2.579 764 F HA 0.679 5.220 4.527 0.024 0.000 0.324 764 F C 0.456 176.302 175.800 0.077 0.000 1.058 764 F CA -1.460 56.680 58.000 0.233 0.000 0.944 764 F CB 1.487 40.572 39.000 0.142 0.000 1.245 764 F HN 0.023 nan 8.300 nan 0.000 0.477 765 L N 1.638 122.927 121.223 0.110 0.000 2.456 765 L HA 0.192 4.546 4.340 0.024 0.000 0.277 765 L C 0.634 177.407 176.870 -0.162 0.000 1.124 765 L CA 0.608 55.176 54.840 -0.455 0.000 0.880 765 L CB 0.325 42.056 42.059 -0.547 0.000 1.192 765 L HN 0.680 nan 8.230 nan 0.000 0.463 766 S N 2.610 118.217 115.700 -0.155 0.000 2.470 766 S HA 0.195 4.680 4.470 0.024 0.000 0.222 766 S C 0.426 174.903 174.600 -0.205 0.000 1.024 766 S CA -0.015 58.130 58.200 -0.091 0.000 0.931 766 S CB 0.046 63.240 63.200 -0.009 0.000 0.791 766 S HN 0.676 nan 8.310 nan 0.000 0.513 767 Q N -0.117 119.498 119.800 -0.309 0.000 2.472 767 Q HA 0.611 4.966 4.340 0.024 0.000 0.281 767 Q C -1.867 173.768 176.000 -0.607 0.000 0.997 767 Q CA -0.373 55.097 55.803 -0.554 0.000 0.828 767 Q CB 1.551 29.806 28.738 -0.805 0.000 1.443 767 Q HN 0.158 nan 8.270 nan 0.000 0.390 768 M N 2.463 121.597 119.600 -0.775 0.000 2.378 768 M HA 0.518 5.012 4.480 0.024 0.000 0.289 768 M C -2.019 173.920 176.300 -0.601 0.000 1.136 768 M CA -0.086 54.858 55.300 -0.592 0.000 0.917 768 M CB 1.703 33.933 32.600 -0.616 0.000 1.669 768 M HN 0.793 nan 8.290 nan 0.000 0.461 769 W N 4.837 125.909 121.300 -0.381 0.000 2.844 769 W HA 0.560 5.235 4.660 0.024 0.000 0.340 769 W C -1.033 175.304 176.519 -0.303 0.000 1.093 769 W CA -0.684 56.502 57.345 -0.265 0.000 1.212 769 W CB 1.806 31.151 29.460 -0.192 0.000 1.422 769 W HN 0.500 nan 8.180 nan 0.000 0.515 770 I N 2.983 123.550 120.570 -0.004 0.000 2.405 770 I HA 0.368 4.552 4.170 0.024 0.000 0.280 770 I C 0.797 176.906 176.117 -0.013 0.000 1.027 770 I CA 0.424 61.682 61.300 -0.069 0.000 1.161 770 I CB 0.715 38.650 38.000 -0.108 0.000 1.300 770 I HN 0.722 nan 8.210 nan 0.000 0.463 771 G N 5.794 114.583 108.800 -0.018 0.000 2.527 771 G HA2 -0.319 3.655 3.960 0.024 0.000 0.268 771 G HA3 -0.319 3.655 3.960 0.024 0.000 0.268 771 G C 0.356 175.272 174.900 0.028 0.000 1.175 771 G CA 0.418 45.511 45.100 -0.013 0.000 0.962 771 G HN 0.748 nan 8.290 nan 0.000 0.560 772 D N 0.691 121.115 120.400 0.039 0.000 2.340 772 D HA 0.250 4.904 4.640 0.024 0.000 0.217 772 D C 0.445 176.875 176.300 0.218 0.000 1.081 772 D CA 0.312 54.367 54.000 0.092 0.000 0.842 772 D CB 0.222 41.038 40.800 0.028 0.000 0.934 772 D HN 0.260 nan 8.370 nan 0.000 0.511 773 K N 1.234 121.726 120.400 0.154 0.000 2.253 773 K HA 0.296 4.631 4.320 0.024 0.000 0.277 773 K C 0.115 176.700 176.600 -0.026 0.000 1.053 773 K CA -0.499 55.829 56.287 0.069 0.000 0.892 773 K CB 1.374 33.872 32.500 -0.002 0.000 1.102 773 K HN 0.034 nan 8.250 nan 0.000 0.469 774 K N 2.273 122.580 120.400 -0.156 0.000 2.448 774 K HA 0.009 4.343 4.320 0.024 0.000 0.278 774 K C 0.942 177.368 176.600 -0.289 0.000 1.009 774 K CA 0.089 56.095 56.287 -0.469 0.000 0.995 774 K CB 0.607 32.878 32.500 -0.381 0.000 0.917 774 K HN 0.349 nan 8.250 nan 0.000 0.481 775 Q N 1.688 121.291 119.800 -0.327 0.000 2.317 775 Q HA 0.183 4.537 4.340 0.024 0.000 0.220 775 Q C 0.125 176.049 176.000 -0.127 0.000 0.873 775 Q CA 0.382 56.109 55.803 -0.128 0.000 0.936 775 Q CB 0.587 29.294 28.738 -0.050 0.000 1.105 775 Q HN 0.508 nan 8.270 nan 0.000 0.520 776 L N 0.677 121.755 121.223 -0.242 0.000 2.334 776 L HA 0.389 4.743 4.340 0.024 0.000 0.273 776 L C 0.921 177.660 176.870 -0.218 0.000 1.013 776 L CA -0.374 54.341 54.840 -0.208 0.000 0.816 776 L CB 1.670 43.590 42.059 -0.232 0.000 1.278 776 L HN -0.046 nan 8.230 nan 0.000 0.431 777 L N 0.435 121.524 121.223 -0.224 0.000 2.537 777 L HA 0.220 4.574 4.340 0.024 0.000 0.224 777 L C 0.061 176.816 176.870 -0.191 0.000 1.065 777 L CA 0.632 55.346 54.840 -0.210 0.000 0.860 777 L CB 0.673 42.587 42.059 -0.241 0.000 1.086 777 L HN 0.619 nan 8.230 nan 0.000 0.482 778 T N -0.279 114.138 114.554 -0.227 0.000 2.912 778 T HA 0.414 4.778 4.350 0.024 0.000 0.299 778 T C -2.603 172.025 174.700 -0.121 0.000 1.052 778 T CA -1.236 60.775 62.100 -0.149 0.000 0.996 778 T CB 2.388 71.166 68.868 -0.149 0.000 1.070 778 T HN -0.289 nan 8.240 nan 0.000 0.465 779 P HA 0.199 nan 4.420 nan 0.000 0.271 779 P C -0.702 176.552 177.300 -0.077 0.000 1.233 779 P CA -0.738 62.323 63.100 -0.065 0.000 0.789 779 P CB 0.421 32.114 31.700 -0.012 0.000 0.951 780 L N 2.823 124.032 121.223 -0.024 0.000 2.283 780 L HA 0.305 4.659 4.340 0.024 0.000 0.287 780 L C 0.041 176.839 176.870 -0.120 0.000 1.073 780 L CA 0.505 55.367 54.840 0.035 0.000 0.822 780 L CB -0.564 41.629 42.059 0.223 0.000 1.186 780 L HN 0.280 nan 8.230 nan 0.000 0.436 781 R N 2.756 123.095 120.500 -0.269 0.000 2.795 781 R HA 0.452 4.806 4.340 0.024 0.000 0.275 781 R C -1.033 175.128 176.300 -0.231 0.000 0.981 781 R CA -1.040 54.722 56.100 -0.563 0.000 0.917 781 R CB 1.334 31.183 30.300 -0.752 0.000 1.202 781 R HN 0.543 nan 8.270 nan 0.000 0.469 782 D N 1.316 121.647 120.400 -0.115 0.000 2.400 782 D HA 0.024 4.678 4.640 0.024 0.000 0.238 782 D C -0.398 175.560 176.300 -0.569 0.000 1.157 782 D CA 0.461 54.275 54.000 -0.310 0.000 0.889 782 D CB 0.640 41.229 40.800 -0.351 0.000 1.199 782 D HN 0.221 nan 8.370 nan 0.000 0.436 783 Q N 1.023 120.283 119.800 -0.901 0.000 2.305 783 Q HA 0.358 4.713 4.340 0.024 0.000 0.271 783 Q C -1.226 174.040 176.000 -1.223 0.000 1.046 783 Q CA -0.609 54.711 55.803 -0.805 0.000 0.798 783 Q CB 0.867 29.341 28.738 -0.440 0.000 1.286 783 Q HN 0.560 nan 8.270 nan 0.000 0.435 784 F N 0.788 120.370 119.950 -0.614 0.000 2.706 784 F HA 0.208 4.750 4.527 0.024 0.000 0.313 784 F C 0.460 175.835 175.800 -0.708 0.000 1.096 784 F CA -0.158 57.353 58.000 -0.814 0.000 1.219 784 F CB 1.596 39.795 39.000 -1.336 0.000 1.051 784 F HN 0.467 nan 8.300 nan 0.000 0.568 785 T N -0.961 113.306 114.554 -0.478 0.000 2.887 785 T HA 0.761 5.125 4.350 0.024 0.000 0.292 785 T C -0.647 173.814 174.700 -0.399 0.000 1.087 785 T CA -1.038 60.709 62.100 -0.589 0.000 1.009 785 T CB 2.766 71.230 68.868 -0.673 0.000 1.203 785 T HN 0.214 nan 8.240 nan 0.000 0.518 786 R N -0.244 120.057 120.500 -0.332 0.000 2.808 786 R HA 0.779 5.133 4.340 0.024 0.000 0.272 786 R C -0.807 175.554 176.300 0.101 0.000 0.995 786 R CA -1.253 54.786 56.100 -0.101 0.000 0.917 786 R CB 1.542 31.797 30.300 -0.075 0.000 1.217 786 R HN 0.833 nan 8.270 nan 0.000 0.471 787 A N 3.399 126.265 122.820 0.077 0.000 2.515 787 A HA 0.264 4.598 4.320 0.024 0.000 0.263 787 A C -1.963 175.698 177.584 0.128 0.000 1.096 787 A CA -1.243 50.840 52.037 0.077 0.000 0.769 787 A CB -0.520 18.469 19.000 -0.019 0.000 1.040 787 A HN 0.551 nan 8.150 nan 0.000 0.505 788 P HA 0.066 nan 4.420 nan 0.000 0.262 788 P C -0.165 177.269 177.300 0.224 0.000 1.182 788 P CA 0.444 63.719 63.100 0.292 0.000 0.761 788 P CB 0.338 32.246 31.700 0.348 0.000 0.795 789 L N 2.585 123.909 121.223 0.169 0.000 2.475 789 L HA 0.127 4.481 4.340 0.024 0.000 0.253 789 L C 1.857 178.790 176.870 0.104 0.000 1.198 789 L CA -0.393 54.493 54.840 0.077 0.000 0.814 789 L CB -0.092 41.944 42.059 -0.038 0.000 1.134 789 L HN 0.304 nan 8.230 nan 0.000 0.478 790 D N 0.412 120.833 120.400 0.036 0.000 2.158 790 D HA -0.165 4.489 4.640 0.024 0.000 0.197 790 D C 1.630 177.929 176.300 -0.001 0.000 0.995 790 D CA 1.413 55.391 54.000 -0.037 0.000 0.846 790 D CB 0.031 40.776 40.800 -0.093 0.000 0.941 790 D HN 0.476 nan 8.370 nan 0.000 0.456 791 N N 0.959 119.654 118.700 -0.007 0.000 2.309 791 N HA -0.101 4.654 4.740 0.024 0.000 0.182 791 N C 1.176 176.712 175.510 0.043 0.000 1.018 791 N CA 0.647 53.701 53.050 0.007 0.000 0.876 791 N CB -0.134 38.342 38.487 -0.018 0.000 0.972 791 N HN 0.266 nan 8.380 nan 0.000 0.434 792 D N 0.625 121.072 120.400 0.079 0.000 2.183 792 D HA 0.007 4.661 4.640 0.024 0.000 0.203 792 D C 2.031 178.387 176.300 0.093 0.000 0.969 792 D CA 0.372 54.449 54.000 0.130 0.000 0.842 792 D CB 0.062 41.021 40.800 0.265 0.000 0.957 792 D HN 0.305 nan 8.370 nan 0.000 0.484 793 I N 1.069 121.686 120.570 0.079 0.000 2.252 793 I HA -0.152 4.033 4.170 0.024 0.000 0.245 793 I C 0.965 177.082 176.117 -0.000 0.000 1.102 793 I CA 0.753 62.075 61.300 0.036 0.000 1.385 793 I CB -0.224 37.778 38.000 0.002 0.000 1.064 793 I HN -0.066 nan 8.210 nan 0.000 0.414 794 A N 0.821 123.646 122.820 0.008 0.000 2.648 794 A HA -0.110 4.224 4.320 0.024 0.000 0.297 794 A C -0.234 177.357 177.584 0.011 0.000 1.467 794 A CA 0.179 52.222 52.037 0.010 0.000 0.731 794 A CB -2.005 16.982 19.000 -0.022 0.000 1.085 794 A HN 0.160 nan 8.150 nan 0.000 0.437 795 V N 0.902 120.822 119.914 0.010 0.000 2.638 795 V HA 0.689 4.823 4.120 0.024 0.000 0.306 795 V C 1.021 176.989 176.094 -0.211 0.000 1.052 795 V CA 0.253 62.505 62.300 -0.080 0.000 0.885 795 V CB 2.160 33.925 31.823 -0.096 0.000 0.999 795 V HN 1.396 nan 8.190 nan 0.000 0.424 796 S N 2.326 117.719 115.700 -0.511 0.000 2.549 796 S HA 0.420 4.904 4.470 0.024 0.000 0.225 796 S C 0.247 174.192 174.600 -1.091 0.000 1.039 796 S CA -0.307 57.028 58.200 -1.442 0.000 0.942 796 S CB 0.516 62.776 63.200 -1.568 0.000 0.881 796 S HN 0.702 nan 8.310 nan 0.000 0.503 801 I N 2.076 122.597 120.570 -0.081 0.000 2.498 801 I HA 0.262 4.446 4.170 0.024 0.000 0.290 801 I C -0.682 175.393 176.117 -0.069 0.000 1.032 801 I CA -0.629 60.629 61.300 -0.069 0.000 1.073 801 I CB 1.976 39.942 38.000 -0.056 0.000 1.251 801 I HN 0.366 nan 8.210 nan 0.000 0.426 802 D N 8.267 128.625 120.400 -0.070 0.000 2.396 802 D HA 0.298 4.953 4.640 0.024 0.000 0.225 802 D C -1.790 174.448 176.300 -0.103 0.000 1.121 802 D CA -2.357 51.597 54.000 -0.078 0.000 0.853 802 D CB 1.608 42.367 40.800 -0.068 0.000 1.043 802 D HN 0.154 nan 8.370 nan 0.000 0.500 803 P HA -0.074 nan 4.420 nan 0.000 0.228 803 P C 0.115 177.311 177.300 -0.174 0.000 1.151 803 P CA 0.758 63.789 63.100 -0.116 0.000 0.770 803 P CB 0.072 31.716 31.700 -0.093 0.000 0.786 804 N N -0.366 118.219 118.700 -0.191 0.000 2.398 804 N HA 0.153 4.907 4.740 0.024 0.000 0.188 804 N C 0.656 175.939 175.510 -0.379 0.000 1.122 804 N CA -0.033 52.844 53.050 -0.288 0.000 0.866 804 N CB -0.484 37.838 38.487 -0.275 0.000 0.970 804 N HN 0.025 nan 8.380 nan 0.000 0.462 805 A N 0.276 122.935 122.820 -0.267 0.000 2.531 805 A HA -0.000 4.334 4.320 0.024 0.000 0.236 805 A C 0.539 177.895 177.584 -0.379 0.000 1.062 805 A CA -0.273 51.611 52.037 -0.255 0.000 0.760 805 A CB 0.012 18.935 19.000 -0.128 0.000 0.995 805 A HN 0.489 nan 8.150 nan 0.000 0.501 806 W N 1.761 122.810 121.300 -0.418 0.000 2.321 806 W HA -0.168 4.506 4.660 0.023 0.000 0.306 806 W C 2.202 178.168 176.519 -0.922 0.000 1.217 806 W CA 1.657 58.488 57.345 -0.857 0.000 1.257 806 W CB -0.438 28.387 29.460 -1.058 0.000 1.145 806 W HN 0.551 nan 8.180 nan 0.000 0.509 807 V N 0.843 120.652 119.914 -0.174 0.000 2.392 807 V HA -0.267 3.868 4.120 0.024 0.000 0.249 807 V C 2.202 178.368 176.094 0.121 0.000 1.059 807 V CA 2.059 64.459 62.300 0.166 0.000 1.051 807 V CB -0.361 31.589 31.823 0.210 0.000 0.658 807 V HN 0.085 nan 8.190 nan 0.000 0.455 808 E N -0.016 120.161 120.200 -0.039 0.000 2.072 808 E HA -0.194 4.170 4.350 0.024 0.000 0.191 808 E C 2.340 178.890 176.600 -0.083 0.000 0.985 808 E CA 1.218 57.589 56.400 -0.049 0.000 0.801 808 E CB -0.340 29.304 29.700 -0.094 0.000 0.750 808 E HN 0.619 nan 8.360 nan 0.000 0.452 809 R N -0.220 120.150 120.500 -0.217 0.000 2.075 809 R HA -0.109 4.245 4.340 0.024 0.000 0.232 809 R C 2.310 178.524 176.300 -0.143 0.000 1.126 809 R CA 1.206 57.155 56.100 -0.252 0.000 0.963 809 R CB -0.192 29.831 30.300 -0.462 0.000 0.858 809 R HN 0.256 nan 8.270 nan 0.000 0.435 810 W N 1.544 122.785 121.300 -0.099 0.000 2.381 810 W HA -0.035 4.640 4.660 0.024 0.000 0.301 810 W C 1.939 178.390 176.519 -0.113 0.000 1.205 810 W CA 0.563 57.739 57.345 -0.281 0.000 1.285 810 W CB -0.557 28.870 29.460 -0.054 0.000 1.133 810 W HN 0.099 nan 8.180 nan 0.000 0.521 811 K N 0.114 120.711 120.400 0.329 0.000 2.026 811 K HA -0.102 4.233 4.320 0.024 0.000 0.208 811 K C 2.269 178.920 176.600 0.086 0.000 1.048 811 K CA 1.740 58.185 56.287 0.264 0.000 0.929 811 K CB -0.569 32.049 32.500 0.197 0.000 0.713 811 K HN -0.034 nan 8.250 nan 0.000 0.439 812 A N 1.289 124.127 122.820 0.031 0.000 1.978 812 A HA -0.125 4.209 4.320 0.024 0.000 0.220 812 A C 2.230 179.790 177.584 -0.040 0.000 1.170 812 A CA 1.882 53.919 52.037 -0.000 0.000 0.636 812 A CB -0.576 18.412 19.000 -0.019 0.000 0.810 812 A HN 0.360 nan 8.150 nan 0.000 0.448 813 A N -2.014 120.749 122.820 -0.095 0.000 2.206 813 A HA 0.384 4.718 4.320 0.024 0.000 0.211 813 A C 1.873 179.319 177.584 -0.231 0.000 1.158 813 A CA 1.313 53.287 52.037 -0.105 0.000 0.761 813 A CB -0.865 18.046 19.000 -0.149 0.000 0.801 813 A HN 1.911 nan 8.150 nan 0.000 0.473 814 G N -1.744 106.819 108.800 -0.394 0.000 2.157 814 G HA2 -0.304 3.670 3.960 0.024 0.000 0.248 814 G HA3 -0.304 3.670 3.960 0.024 0.000 0.248 814 G C 0.591 175.461 174.900 -0.050 0.000 0.979 814 G CA 0.669 45.295 45.100 -0.789 0.000 0.650 814 G HN 0.746 nan 8.290 nan 0.000 0.529 815 H N -1.281 117.760 119.070 -0.048 0.000 2.387 815 H HA -0.106 4.464 4.556 0.024 0.000 0.299 815 H C 2.026 177.344 175.328 -0.017 0.000 1.099 815 H CA 1.619 57.659 56.048 -0.012 0.000 1.315 815 H CB 0.038 29.719 29.762 -0.134 0.000 1.380 815 H HN 0.608 nan 8.280 nan 0.000 0.513 816 Y N -0.041 120.388 120.300 0.214 0.000 2.490 816 Y HA -0.021 4.543 4.550 0.024 0.000 0.281 816 Y C 1.804 177.800 175.900 0.161 0.000 1.174 816 Y CA 0.021 58.214 58.100 0.155 0.000 1.295 816 Y CB 0.536 39.065 38.460 0.116 0.000 1.062 816 Y HN 0.155 nan 8.280 nan 0.000 0.522 817 Q N -0.171 119.813 119.800 0.308 0.000 2.316 817 Q HA 0.327 4.682 4.340 0.024 0.000 0.235 817 Q C 0.836 177.044 176.000 0.347 0.000 0.863 817 Q CA 0.142 56.126 55.803 0.302 0.000 0.939 817 Q CB 0.230 29.160 28.738 0.320 0.000 1.108 817 Q HN 0.275 nan 8.270 nan 0.000 0.522 818 A N 2.730 125.777 122.820 0.379 0.000 2.565 818 A HA 0.086 4.420 4.320 0.024 0.000 0.237 818 A C 0.168 178.038 177.584 0.476 0.000 1.053 818 A CA 0.292 52.601 52.037 0.454 0.000 0.755 818 A CB -0.129 19.174 19.000 0.505 0.000 0.980 818 A HN 0.241 nan 8.150 nan 0.000 0.506 819 E N 1.844 122.233 120.200 0.315 0.000 2.199 819 E HA 0.621 4.985 4.350 0.024 0.000 0.269 819 E C -0.231 176.290 176.600 -0.133 0.000 0.899 819 E CA -0.702 55.804 56.400 0.176 0.000 0.772 819 E CB 1.592 31.373 29.700 0.135 0.000 1.155 819 E HN 0.758 nan 8.360 nan 0.000 0.408 820 A N 2.641 125.270 122.820 -0.319 0.000 2.548 820 A HA 0.400 4.734 4.320 0.024 0.000 0.247 820 A C 0.077 177.498 177.584 -0.271 0.000 1.067 820 A CA 0.284 51.871 52.037 -0.750 0.000 0.757 820 A CB -0.058 18.748 19.000 -0.323 0.000 0.996 820 A HN 0.711 nan 8.150 nan 0.000 0.504 821 A N 3.059 125.722 122.820 -0.262 0.000 2.287 821 A HA 0.575 4.909 4.320 0.024 0.000 0.317 821 A C -0.324 177.205 177.584 -0.091 0.000 1.220 821 A CA -0.565 51.411 52.037 -0.101 0.000 0.835 821 A CB 0.469 19.427 19.000 -0.069 0.000 1.180 821 A HN 1.282 nan 8.150 nan 0.000 0.500 822 L N 3.018 124.181 121.223 -0.101 0.000 2.380 822 L HA 0.348 4.702 4.340 0.024 0.000 0.273 822 L C 0.424 177.176 176.870 -0.195 0.000 1.138 822 L CA 0.337 55.020 54.840 -0.261 0.000 0.832 822 L CB 0.462 42.379 42.059 -0.237 0.000 1.124 822 L HN 0.779 nan 8.230 nan 0.000 0.454 823 L N 3.016 124.100 121.223 -0.232 0.000 2.500 823 L HA 0.329 4.683 4.340 0.024 0.000 0.219 823 L C 0.321 177.127 176.870 -0.108 0.000 1.057 823 L CA 0.033 54.802 54.840 -0.118 0.000 0.854 823 L CB 0.065 42.086 42.059 -0.063 0.000 1.078 823 L HN 0.717 nan 8.230 nan 0.000 0.480 824 Q N -0.187 119.519 119.800 -0.157 0.000 2.352 824 Q HA 0.299 4.653 4.340 0.024 0.000 0.270 824 Q C -2.079 173.862 176.000 -0.098 0.000 1.006 824 Q CA -0.475 55.273 55.803 -0.093 0.000 0.880 824 Q CB 3.064 31.774 28.738 -0.047 0.000 1.392 824 Q HN 0.075 nan 8.270 nan 0.000 0.401 825 C N 3.538 122.826 119.300 -0.019 0.000 2.781 825 C HA 0.715 5.189 4.460 0.024 0.000 0.348 825 C C -0.717 174.385 174.990 0.187 0.000 1.051 825 C CA 0.369 59.427 59.018 0.066 0.000 1.347 825 C CB 0.351 28.141 27.740 0.084 0.000 1.846 825 C HN 0.813 nan 8.230 nan 0.000 0.473 826 T N 2.149 116.730 114.554 0.045 0.000 2.916 826 T HA 0.905 5.270 4.350 0.024 0.000 0.292 826 T C -0.502 173.906 174.700 -0.487 0.000 1.055 826 T CA -0.375 61.668 62.100 -0.094 0.000 1.009 826 T CB 1.983 70.801 68.868 -0.083 0.000 1.118 826 T HN 1.482 nan 8.240 nan 0.000 0.497 827 A N 1.497 123.852 122.820 -0.776 0.000 2.374 827 A HA 0.751 5.085 4.320 0.024 0.000 0.305 827 A C -1.211 176.101 177.584 -0.454 0.000 1.053 827 A CA -0.713 50.801 52.037 -0.871 0.000 0.726 827 A CB 1.277 19.359 19.000 -1.530 0.000 1.229 827 A HN 0.865 nan 8.150 nan 0.000 0.431 828 D N 1.188 121.385 120.400 -0.339 0.000 2.732 828 D HA 0.547 5.201 4.640 0.024 0.000 0.229 828 D C -0.672 175.516 176.300 -0.188 0.000 1.152 828 D CA 0.075 53.946 54.000 -0.215 0.000 0.854 828 D CB 2.375 43.080 40.800 -0.159 0.000 1.590 828 D HN 0.637 nan 8.370 nan 0.000 0.468 829 T N -0.326 114.143 114.554 -0.142 0.000 2.795 829 T HA 0.714 5.078 4.350 0.024 0.000 0.282 829 T C 0.305 174.953 174.700 -0.086 0.000 0.980 829 T CA -0.652 61.377 62.100 -0.119 0.000 1.012 829 T CB 1.013 69.816 68.868 -0.108 0.000 0.936 829 T HN 0.196 nan 8.240 nan 0.000 0.457 830 L N 1.824 123.001 121.223 -0.077 0.000 2.299 830 L HA 0.670 5.024 4.340 0.024 0.000 0.268 830 L C 2.092 178.938 176.870 -0.040 0.000 1.012 830 L CA -1.456 53.351 54.840 -0.055 0.000 0.816 830 L CB 0.577 42.603 42.059 -0.054 0.000 1.355 830 L HN 0.793 nan 8.230 nan 0.000 0.457 831 A N 0.636 123.440 122.820 -0.027 0.000 1.903 831 A HA -0.210 4.124 4.320 0.024 0.000 0.219 831 A C 1.163 178.740 177.584 -0.012 0.000 1.191 831 A CA 2.346 54.373 52.037 -0.016 0.000 0.638 831 A CB -0.573 18.421 19.000 -0.010 0.000 0.823 831 A HN 0.905 nan 8.150 nan 0.000 0.451 832 D N -2.443 117.947 120.400 -0.017 0.000 2.571 832 D HA 0.570 5.225 4.640 0.024 0.000 0.239 832 D C 0.013 176.298 176.300 -0.026 0.000 1.267 832 D CA 0.666 54.659 54.000 -0.012 0.000 0.823 832 D CB -0.154 40.640 40.800 -0.010 0.000 1.056 832 D HN 0.587 nan 8.370 nan 0.000 0.494 833 A N -0.738 122.056 122.820 -0.043 0.000 2.540 833 A HA 0.599 4.933 4.320 0.024 0.000 0.291 833 A C -1.860 175.666 177.584 -0.096 0.000 1.083 833 A CA -0.695 51.300 52.037 -0.070 0.000 0.650 833 A CB 1.300 20.259 19.000 -0.068 0.000 1.292 833 A HN 0.010 nan 8.150 nan 0.000 0.435 834 V N 0.458 120.292 119.914 -0.133 0.000 2.680 834 V HA 0.672 4.807 4.120 0.024 0.000 0.309 834 V C -1.096 174.885 176.094 -0.188 0.000 1.052 834 V CA -0.512 61.688 62.300 -0.167 0.000 0.908 834 V CB 1.562 33.274 31.823 -0.185 0.000 1.001 834 V HN 0.924 nan 8.190 nan 0.000 0.431 835 L N 6.015 127.118 121.223 -0.200 0.000 2.325 835 L HA 0.638 4.992 4.340 0.024 0.000 0.281 835 L C -0.804 175.903 176.870 -0.272 0.000 1.004 835 L CA -0.030 54.697 54.840 -0.188 0.000 0.823 835 L CB 1.284 43.259 42.059 -0.140 0.000 1.236 835 L HN 0.394 nan 8.230 nan 0.000 0.415 836 I N 4.096 124.485 120.570 -0.301 0.000 2.359 836 I HA 0.427 4.611 4.170 0.024 0.000 0.294 836 I C 0.084 176.113 176.117 -0.146 0.000 0.987 836 I CA -0.210 60.848 61.300 -0.402 0.000 1.225 836 I CB 1.466 38.984 38.000 -0.803 0.000 1.366 836 I HN 0.572 nan 8.210 nan 0.000 0.466 837 T N 4.826 119.303 114.554 -0.129 0.000 2.807 837 T HA 0.639 5.003 4.350 0.024 0.000 0.279 837 T C 0.172 174.887 174.700 0.025 0.000 0.993 837 T CA -0.557 61.531 62.100 -0.021 0.000 0.970 837 T CB 1.800 70.641 68.868 -0.044 0.000 0.950 837 T HN 0.783 nan 8.240 nan 0.000 0.441 838 T N -0.585 114.027 114.554 0.097 0.000 2.901 838 T HA 0.884 5.248 4.350 0.024 0.000 0.293 838 T C -1.201 173.532 174.700 0.055 0.000 1.084 838 T CA -1.075 61.067 62.100 0.069 0.000 1.008 838 T CB 2.032 71.022 68.868 0.203 0.000 1.170 838 T HN 0.814 nan 8.240 nan 0.000 0.509 839 A N 1.364 124.132 122.820 -0.087 0.000 2.459 839 A HA 0.760 5.094 4.320 0.024 0.000 0.296 839 A C -1.497 175.952 177.584 -0.224 0.000 1.039 839 A CA -0.777 51.253 52.037 -0.011 0.000 0.698 839 A CB 0.907 19.916 19.000 0.014 0.000 1.261 839 A HN 1.015 nan 8.150 nan 0.000 0.405 840 H N -0.039 119.097 119.070 0.109 0.000 2.895 840 H HA 0.797 5.367 4.556 0.024 0.000 0.373 840 H C -0.056 175.323 175.328 0.086 0.000 1.174 840 H CA 0.268 56.308 56.048 -0.013 0.000 1.144 840 H CB 2.159 31.841 29.762 -0.133 0.000 1.793 840 H HN 1.029 nan 8.280 nan 0.000 0.551 841 A N 1.619 124.472 122.820 0.054 0.000 2.365 841 A HA 0.481 4.816 4.320 0.024 0.000 0.318 841 A C -1.389 176.180 177.584 -0.025 0.000 1.091 841 A CA -0.714 51.422 52.037 0.166 0.000 0.763 841 A CB 1.266 20.335 19.000 0.115 0.000 1.248 841 A HN 0.591 nan 8.150 nan 0.000 0.442 842 W N 1.791 123.209 121.300 0.197 0.000 2.376 842 W HA 0.456 5.130 4.660 0.024 0.000 0.312 842 W C -0.425 176.121 176.519 0.045 0.000 1.060 842 W CA -0.142 57.312 57.345 0.182 0.000 1.221 842 W CB 1.705 31.341 29.460 0.293 0.000 1.281 842 W HN 0.794 nan 8.180 nan 0.000 0.456 843 Q N 1.486 121.427 119.800 0.235 0.000 2.528 843 Q HA 0.495 4.850 4.340 0.024 0.000 0.289 843 Q C -1.024 175.113 176.000 0.227 0.000 1.091 843 Q CA -0.944 54.955 55.803 0.160 0.000 0.797 843 Q CB 3.718 32.510 28.738 0.089 0.000 1.466 843 Q HN 0.386 nan 8.270 nan 0.000 0.436 844 H N 1.084 120.194 119.070 0.067 0.000 3.099 844 H HA 0.040 4.610 4.556 0.024 0.000 0.342 844 H C -0.861 174.499 175.328 0.054 0.000 1.054 844 H CA -0.089 56.005 56.048 0.077 0.000 1.328 844 H CB 1.192 31.012 29.762 0.097 0.000 1.876 844 H HN 0.704 nan 8.280 nan 0.000 0.495 845 Q N 2.725 122.303 119.800 -0.371 0.000 2.457 845 Q HA -0.192 4.162 4.340 0.024 0.000 0.283 845 Q C 1.019 176.988 176.000 -0.051 0.000 1.234 845 Q CA 1.477 57.159 55.803 -0.201 0.000 0.877 845 Q CB -1.950 26.709 28.738 -0.131 0.000 1.250 845 Q HN 1.163 nan 8.270 nan 0.000 0.481 846 G N -0.568 108.215 108.800 -0.030 0.000 2.168 846 G HA2 -0.357 3.617 3.960 0.024 0.000 0.263 846 G HA3 -0.357 3.617 3.960 0.024 0.000 0.263 846 G C 0.063 174.975 174.900 0.021 0.000 0.977 846 G CA 0.771 45.872 45.100 0.001 0.000 0.659 846 G HN 0.335 nan 8.290 nan 0.000 0.533 847 K N 1.034 121.459 120.400 0.040 0.000 2.159 847 K HA 0.501 4.835 4.320 0.024 0.000 0.266 847 K C -0.299 176.324 176.600 0.039 0.000 0.975 847 K CA -0.309 56.003 56.287 0.042 0.000 0.865 847 K CB 0.742 33.274 32.500 0.052 0.000 1.087 847 K HN 0.031 nan 8.250 nan 0.000 0.446 848 T N 5.786 120.353 114.554 0.022 0.000 2.737 848 T HA 0.179 4.543 4.350 0.024 0.000 0.296 848 T C 1.509 176.165 174.700 -0.073 0.000 0.922 848 T CA -0.259 61.851 62.100 0.017 0.000 1.079 848 T CB 0.447 69.342 68.868 0.045 0.000 0.892 848 T HN 0.496 nan 8.240 nan 0.000 0.514 849 L N 2.273 123.369 121.223 -0.212 0.000 2.130 849 L HA 0.335 4.689 4.340 0.024 0.000 0.200 849 L C 0.038 176.427 176.870 -0.802 0.000 1.075 849 L CA 0.911 55.347 54.840 -0.673 0.000 0.768 849 L CB -0.012 41.243 42.059 -1.340 0.000 0.933 849 L HN 0.525 nan 8.230 nan 0.000 0.451 850 F N -1.038 118.857 119.950 -0.091 0.000 2.599 850 F HA 0.579 5.120 4.527 0.024 0.000 0.311 850 F C -0.407 175.493 175.800 0.168 0.000 1.076 850 F CA -0.822 57.062 58.000 -0.194 0.000 0.937 850 F CB 2.117 40.571 39.000 -0.911 0.000 1.282 850 F HN -0.306 nan 8.300 nan 0.000 0.460 851 I N 1.516 122.316 120.570 0.384 0.000 2.466 851 I HA 0.350 4.534 4.170 0.024 0.000 0.289 851 I C -0.865 175.522 176.117 0.451 0.000 1.026 851 I CA -0.504 61.049 61.300 0.422 0.000 1.078 851 I CB 2.169 40.327 38.000 0.262 0.000 1.249 851 I HN 0.563 nan 8.210 nan 0.000 0.429 852 S N 7.070 123.136 115.700 0.610 0.000 2.478 852 S HA 0.586 5.070 4.470 0.024 0.000 0.312 852 S C -0.709 174.134 174.600 0.406 0.000 1.094 852 S CA -0.674 57.839 58.200 0.522 0.000 1.081 852 S CB 0.902 64.525 63.200 0.705 0.000 1.007 852 S HN 0.568 nan 8.310 nan 0.000 0.475 853 R N 3.374 124.033 120.500 0.265 0.000 2.437 853 R HA 0.569 4.923 4.340 0.024 0.000 0.310 853 R C -0.733 175.639 176.300 0.120 0.000 0.955 853 R CA -0.772 55.440 56.100 0.186 0.000 0.851 853 R CB 1.867 32.248 30.300 0.135 0.000 1.161 853 R HN 0.596 nan 8.270 nan 0.000 0.446 854 K N 0.679 121.140 120.400 0.102 0.000 2.480 854 K HA 0.479 4.813 4.320 0.024 0.000 0.258 854 K C -0.768 175.803 176.600 -0.049 0.000 0.990 854 K CA -0.934 55.334 56.287 -0.032 0.000 0.857 854 K CB 2.485 34.927 32.500 -0.095 0.000 1.384 854 K HN 0.626 nan 8.250 nan 0.000 0.446 855 T N -1.492 112.957 114.554 -0.174 0.000 2.893 855 T HA 0.556 4.920 4.350 0.024 0.000 0.293 855 T C -1.329 173.221 174.700 -0.249 0.000 1.027 855 T CA -0.736 61.297 62.100 -0.112 0.000 0.988 855 T CB 0.525 69.359 68.868 -0.056 0.000 1.043 855 T HN 0.409 nan 8.240 nan 0.000 0.461 856 Y N 0.902 121.162 120.300 -0.066 0.000 2.331 856 Y HA 0.622 5.187 4.550 0.024 0.000 0.334 856 Y C 0.489 176.315 175.900 -0.122 0.000 0.960 856 Y CA -1.055 57.020 58.100 -0.042 0.000 1.130 856 Y CB 1.881 40.338 38.460 -0.005 0.000 1.164 856 Y HN 0.620 nan 8.280 nan 0.000 0.458 857 R N 4.562 125.079 120.500 0.029 0.000 2.360 857 R HA 0.648 5.002 4.340 0.024 0.000 0.318 857 R C -1.599 174.647 176.300 -0.090 0.000 0.950 857 R CA -0.477 55.595 56.100 -0.047 0.000 0.837 857 R CB 0.713 30.994 30.300 -0.032 0.000 1.165 857 R HN 0.775 nan 8.270 nan 0.000 0.458 858 I N 4.808 125.265 120.570 -0.189 0.000 2.362 858 I HA 0.201 4.385 4.170 0.024 0.000 0.289 858 I C -0.211 175.789 176.117 -0.195 0.000 0.994 858 I CA -0.850 60.269 61.300 -0.301 0.000 1.158 858 I CB 1.561 39.157 38.000 -0.673 0.000 1.315 858 I HN 0.647 nan 8.210 nan 0.000 0.451 859 D N 4.428 124.757 120.400 -0.119 0.000 2.440 859 D HA 0.221 4.875 4.640 0.024 0.000 0.258 859 D C 1.229 177.517 176.300 -0.019 0.000 1.092 859 D CA -0.800 53.166 54.000 -0.056 0.000 1.016 859 D CB 1.206 41.991 40.800 -0.025 0.000 1.141 859 D HN 0.519 nan 8.370 nan 0.000 0.552 860 G N -1.214 107.588 108.800 0.003 0.000 2.586 860 G HA2 -0.158 3.817 3.960 0.024 0.000 0.215 860 G HA3 -0.158 3.817 3.960 0.024 0.000 0.215 860 G C 1.090 176.013 174.900 0.038 0.000 1.128 860 G CA 0.940 46.059 45.100 0.032 0.000 0.774 860 G HN 0.542 nan 8.290 nan 0.000 0.543 861 S N -1.257 114.458 115.700 0.026 0.000 2.548 861 S HA 0.375 4.859 4.470 0.024 0.000 0.215 861 S C 1.861 176.514 174.600 0.088 0.000 0.976 861 S CA 0.901 59.120 58.200 0.030 0.000 0.908 861 S CB 0.131 63.338 63.200 0.011 0.000 0.781 861 S HN 1.372 nan 8.310 nan 0.000 0.519 862 G N 0.647 109.520 108.800 0.122 0.000 2.176 862 G HA2 -0.253 3.721 3.960 0.024 0.000 0.253 862 G HA3 -0.253 3.721 3.960 0.024 0.000 0.253 862 G C -0.135 174.914 174.900 0.248 0.000 0.979 862 G CA 0.084 45.334 45.100 0.251 0.000 0.641 862 G HN 0.598 nan 8.290 nan 0.000 0.530 863 Q N -0.223 119.658 119.800 0.136 0.000 2.327 863 Q HA 0.592 4.946 4.340 0.024 0.000 0.254 863 Q C 0.333 176.386 176.000 0.088 0.000 0.952 863 Q CA 0.062 55.951 55.803 0.143 0.000 0.884 863 Q CB 1.208 30.012 28.738 0.109 0.000 1.224 863 Q HN 0.481 nan 8.270 nan 0.000 0.422 864 M N 2.042 121.737 119.600 0.157 0.000 2.125 864 M HA 0.500 4.994 4.480 0.024 0.000 0.321 864 M C -1.418 174.990 176.300 0.181 0.000 0.983 864 M CA -0.533 54.823 55.300 0.094 0.000 0.934 864 M CB 1.072 33.738 32.600 0.110 0.000 1.542 864 M HN 0.676 nan 8.290 nan 0.000 0.424 865 A N 6.951 129.836 122.820 0.109 0.000 2.276 865 A HA 0.620 4.955 4.320 0.024 0.000 0.300 865 A C -0.676 176.947 177.584 0.065 0.000 1.235 865 A CA -0.576 51.521 52.037 0.100 0.000 0.867 865 A CB -0.011 19.024 19.000 0.059 0.000 1.137 865 A HN 0.926 nan 8.150 nan 0.000 0.527 866 I N 2.773 123.376 120.570 0.054 0.000 2.330 866 I HA 0.278 4.462 4.170 0.024 0.000 0.289 866 I C -0.027 175.985 176.117 -0.175 0.000 1.001 866 I CA -0.050 61.187 61.300 -0.104 0.000 1.193 866 I CB 1.730 39.712 38.000 -0.031 0.000 1.345 866 I HN 0.484 nan 8.210 nan 0.000 0.461 867 T N 5.953 120.361 114.554 -0.242 0.000 2.797 867 T HA 0.551 4.916 4.350 0.024 0.000 0.279 867 T C -0.289 174.205 174.700 -0.342 0.000 0.991 867 T CA -0.438 61.515 62.100 -0.245 0.000 0.979 867 T CB 1.893 70.716 68.868 -0.077 0.000 0.943 867 T HN 0.201 nan 8.240 nan 0.000 0.444 868 V N 3.705 123.294 119.914 -0.542 0.000 2.531 868 V HA 0.498 4.632 4.120 0.024 0.000 0.301 868 V C -0.713 175.238 176.094 -0.239 0.000 1.034 868 V CA -0.917 61.100 62.300 -0.471 0.000 0.865 868 V CB 2.041 33.309 31.823 -0.924 0.000 0.995 868 V HN 0.844 nan 8.190 nan 0.000 0.424 869 D N 3.261 123.673 120.400 0.020 0.000 2.549 869 D HA 0.541 5.195 4.640 0.024 0.000 0.251 869 D C -1.066 175.358 176.300 0.207 0.000 1.153 869 D CA -0.106 53.996 54.000 0.170 0.000 0.861 869 D CB 2.797 43.712 40.800 0.191 0.000 1.207 869 D HN 0.258 nan 8.370 nan 0.000 0.543 870 V N 2.318 122.391 119.914 0.265 0.000 2.628 870 V HA 0.308 4.442 4.120 0.024 0.000 0.306 870 V C -0.033 176.208 176.094 0.245 0.000 1.045 870 V CA -0.660 61.810 62.300 0.282 0.000 0.905 870 V CB 2.550 34.574 31.823 0.336 0.000 0.997 870 V HN 0.375 nan 8.190 nan 0.000 0.436 871 E N 2.366 122.696 120.200 0.217 0.000 2.187 871 E HA 0.615 4.979 4.350 0.024 0.000 0.268 871 E C -1.593 175.122 176.600 0.191 0.000 0.896 871 E CA -0.563 55.944 56.400 0.178 0.000 0.766 871 E CB 2.537 32.325 29.700 0.148 0.000 1.142 871 E HN 0.405 nan 8.360 nan 0.000 0.408 872 V N 2.286 122.315 119.914 0.191 0.000 2.407 872 V HA 0.366 4.500 4.120 0.024 0.000 0.291 872 V C 0.171 176.351 176.094 0.144 0.000 1.018 872 V CA -0.913 61.520 62.300 0.220 0.000 0.842 872 V CB 1.351 33.339 31.823 0.275 0.000 0.996 872 V HN 0.832 nan 8.190 nan 0.000 0.426 873 A N 3.608 126.468 122.820 0.068 0.000 2.561 873 A HA 0.278 4.612 4.320 0.024 0.000 0.234 873 A C 1.662 179.310 177.584 0.107 0.000 1.055 873 A CA 0.634 52.706 52.037 0.058 0.000 0.756 873 A CB 0.258 19.259 19.000 0.001 0.000 0.986 873 A HN 1.360 nan 8.150 nan 0.000 0.505 874 S N 0.845 116.605 115.700 0.100 0.000 2.419 874 S HA -0.163 4.321 4.470 0.024 0.000 0.233 874 S C 0.930 175.608 174.600 0.130 0.000 1.016 874 S CA 1.392 59.669 58.200 0.129 0.000 0.974 874 S CB -0.342 62.914 63.200 0.093 0.000 0.786 874 S HN 0.831 nan 8.310 nan 0.000 0.492 875 D N 0.469 120.920 120.400 0.085 0.000 2.339 875 D HA 0.124 4.779 4.640 0.024 0.000 0.217 875 D C 0.644 176.982 176.300 0.062 0.000 1.050 875 D CA 0.131 54.167 54.000 0.060 0.000 0.856 875 D CB -0.537 40.285 40.800 0.036 0.000 0.922 875 D HN 0.344 nan 8.370 nan 0.000 0.518 876 T N 1.383 115.998 114.554 0.101 0.000 2.922 876 T HA 0.384 4.748 4.350 0.024 0.000 0.285 876 T C -2.588 172.234 174.700 0.204 0.000 1.005 876 T CA -1.958 60.227 62.100 0.141 0.000 1.061 876 T CB 1.116 70.069 68.868 0.141 0.000 1.007 876 T HN -0.151 nan 8.240 nan 0.000 0.502 877 P HA 0.094 nan 4.420 nan 0.000 0.266 877 P C -0.622 177.025 177.300 0.579 0.000 1.195 877 P CA 0.043 63.263 63.100 0.199 0.000 0.768 877 P CB -0.054 31.708 31.700 0.104 0.000 0.838 878 H N 3.360 122.817 119.070 0.645 0.000 3.070 878 H HA 0.057 4.627 4.556 0.024 0.000 0.313 878 H C -1.553 174.145 175.328 0.617 0.000 0.997 878 H CA -1.333 55.036 56.048 0.534 0.000 1.438 878 H CB -0.464 29.546 29.762 0.414 0.000 1.455 878 H HN 0.383 nan 8.280 nan 0.000 0.575 879 P HA -0.003 nan 4.420 nan 0.000 0.274 879 P C 0.186 177.401 177.300 -0.142 0.000 1.237 879 P CA -0.255 62.921 63.100 0.127 0.000 0.793 879 P CB 1.088 32.699 31.700 -0.149 0.000 0.977 880 A N 3.119 125.590 122.820 -0.581 0.000 1.969 880 A HA -0.098 4.237 4.320 0.024 0.000 0.218 880 A C 1.072 178.273 177.584 -0.638 0.000 1.169 880 A CA 1.347 52.990 52.037 -0.657 0.000 0.635 880 A CB -0.519 17.873 19.000 -1.012 0.000 0.810 880 A HN 0.758 nan 8.150 nan 0.000 0.445 881 R N -2.935 117.224 120.500 -0.569 0.000 2.728 881 R HA 0.724 5.078 4.340 0.024 0.000 0.274 881 R C -1.719 174.333 176.300 -0.413 0.000 1.030 881 R CA -0.814 54.967 56.100 -0.532 0.000 0.876 881 R CB 0.770 30.717 30.300 -0.589 0.000 1.259 881 R HN 0.000 nan 8.270 nan 0.000 0.468 882 I N 1.072 121.429 120.570 -0.355 0.000 2.542 882 I HA 0.620 4.804 4.170 0.024 0.000 0.278 882 I C -0.481 175.389 176.117 -0.412 0.000 1.069 882 I CA -0.383 60.725 61.300 -0.320 0.000 1.100 882 I CB 1.852 39.733 38.000 -0.199 0.000 1.204 882 I HN 0.961 nan 8.210 nan 0.000 0.470 883 G N 5.704 114.207 108.800 -0.495 0.000 2.706 883 G HA2 0.784 4.759 3.960 0.024 0.000 0.307 883 G HA3 0.784 4.759 3.960 0.024 0.000 0.307 883 G C -1.671 173.052 174.900 -0.294 0.000 1.307 883 G CA -0.580 44.272 45.100 -0.412 0.000 0.790 883 G HN 0.256 nan 8.290 nan 0.000 0.503 884 L N 0.791 121.900 121.223 -0.190 0.000 2.333 884 L HA 0.642 4.996 4.340 0.024 0.000 0.263 884 L C -0.723 176.051 176.870 -0.159 0.000 1.014 884 L CA -1.154 53.608 54.840 -0.130 0.000 0.820 884 L CB 2.492 44.558 42.059 0.012 0.000 1.352 884 L HN 0.804 nan 8.230 nan 0.000 0.421 885 N N 0.544 119.176 118.700 -0.112 0.000 2.610 885 N HA 0.721 5.476 4.740 0.024 0.000 0.264 885 N C -1.217 174.299 175.510 0.011 0.000 1.348 885 N CA -0.594 52.421 53.050 -0.058 0.000 0.819 885 N CB 2.265 40.737 38.487 -0.026 0.000 1.521 885 N HN 0.846 nan 8.380 nan 0.000 0.497 886 C N -1.756 117.573 119.300 0.049 0.000 3.292 886 C HA 0.584 5.058 4.460 0.024 0.000 0.338 886 C C -1.291 173.574 174.990 -0.207 0.000 1.323 886 C CA -0.858 58.149 59.018 -0.017 0.000 1.232 886 C CB 0.946 28.695 27.740 0.015 0.000 1.517 886 C HN 0.874 nan 8.230 nan 0.000 0.470 887 Q N 1.453 120.907 119.800 -0.576 0.000 2.372 887 Q HA 0.652 5.007 4.340 0.024 0.000 0.259 887 Q C -1.033 174.681 176.000 -0.475 0.000 0.993 887 Q CA -0.460 54.741 55.803 -1.003 0.000 0.854 887 Q CB 0.943 28.720 28.738 -1.602 0.000 1.231 887 Q HN 0.782 nan 8.270 nan 0.000 0.462 888 L N 2.766 123.806 121.223 -0.306 0.000 2.397 888 L HA 0.234 4.589 4.340 0.024 0.000 0.271 888 L C 1.223 178.026 176.870 -0.112 0.000 1.148 888 L CA -0.179 54.604 54.840 -0.094 0.000 0.825 888 L CB 0.851 42.964 42.059 0.089 0.000 1.117 888 L HN 0.838 nan 8.230 nan 0.000 0.456 889 A N 2.553 125.330 122.820 -0.071 0.000 2.015 889 A HA -0.108 4.226 4.320 0.024 0.000 0.219 889 A C 0.998 178.560 177.584 -0.036 0.000 1.163 889 A CA 0.864 52.852 52.037 -0.082 0.000 0.646 889 A CB -0.234 18.713 19.000 -0.089 0.000 0.806 889 A HN 0.830 nan 8.150 nan 0.000 0.448 890 Q N -0.519 119.293 119.800 0.021 0.000 2.180 890 Q HA 0.575 4.929 4.340 0.024 0.000 0.241 890 Q C -1.467 174.573 176.000 0.066 0.000 0.970 890 Q CA -0.624 55.189 55.803 0.018 0.000 0.919 890 Q CB 1.536 30.270 28.738 -0.006 0.000 1.222 890 Q HN 0.087 nan 8.270 nan 0.000 0.482 891 V N 1.144 121.070 119.914 0.020 0.000 2.604 891 V HA 0.808 4.943 4.120 0.024 0.000 0.305 891 V C -0.711 175.343 176.094 -0.067 0.000 1.043 891 V CA -0.467 61.870 62.300 0.062 0.000 0.888 891 V CB 1.226 33.074 31.823 0.042 0.000 0.995 891 V HN 0.904 nan 8.190 nan 0.000 0.429 892 A N 2.685 125.422 122.820 -0.138 0.000 2.413 892 A HA 0.692 5.026 4.320 0.024 0.000 0.307 892 A C 0.538 178.125 177.584 0.004 0.000 1.087 892 A CA -0.469 51.404 52.037 -0.274 0.000 0.750 892 A CB 1.466 20.002 19.000 -0.774 0.000 1.296 892 A HN 0.827 nan 8.150 nan 0.000 0.423 893 E N 0.049 120.248 120.200 -0.002 0.000 2.152 893 E HA -0.043 4.321 4.350 0.024 0.000 0.192 893 E C 0.125 176.795 176.600 0.116 0.000 0.983 893 E CA 0.749 57.184 56.400 0.058 0.000 0.818 893 E CB 0.172 29.888 29.700 0.027 0.000 0.758 893 E HN 0.442 nan 8.360 nan 0.000 0.467 894 R N -0.001 120.579 120.500 0.134 0.000 2.892 894 R HA 0.531 4.886 4.340 0.024 0.000 0.265 894 R C -0.701 175.782 176.300 0.305 0.000 1.025 894 R CA -0.883 55.328 56.100 0.185 0.000 0.982 894 R CB 1.795 32.174 30.300 0.133 0.000 1.185 894 R HN -0.194 nan 8.270 nan 0.000 0.484 895 V N 1.787 121.889 119.914 0.314 0.000 2.577 895 V HA 0.380 4.514 4.120 0.024 0.000 0.303 895 V C -0.429 175.933 176.094 0.447 0.000 1.042 895 V CA -0.947 61.573 62.300 0.367 0.000 0.872 895 V CB 1.978 33.951 31.823 0.251 0.000 0.998 895 V HN 0.661 nan 8.190 nan 0.000 0.423 896 N N 4.410 123.349 118.700 0.399 0.000 2.314 896 N HA 0.551 5.305 4.740 0.024 0.000 0.294 896 N C -1.390 174.374 175.510 0.425 0.000 1.029 896 N CA -0.447 52.821 53.050 0.363 0.000 0.845 896 N CB 2.705 41.294 38.487 0.170 0.000 1.321 896 N HN 0.821 nan 8.380 nan 0.000 0.481 897 W N 3.136 124.469 121.300 0.053 0.000 3.167 897 W HA 0.594 5.268 4.660 0.023 0.000 0.324 897 W C -1.996 174.481 176.519 -0.070 0.000 1.230 897 W CA -1.124 56.227 57.345 0.010 0.000 1.184 897 W CB 0.780 30.269 29.460 0.048 0.000 1.414 897 W HN 0.224 nan 8.180 nan 0.000 0.551 898 L N 4.239 125.414 121.223 -0.080 0.000 2.301 898 L HA 0.897 5.251 4.340 0.024 0.000 0.278 898 L C -0.004 176.673 176.870 -0.321 0.000 1.022 898 L CA 0.290 54.893 54.840 -0.396 0.000 0.854 898 L CB 0.542 42.459 42.059 -0.237 0.000 1.226 898 L HN 0.959 nan 8.230 nan 0.000 0.429 899 G N 3.597 112.069 108.800 -0.547 0.000 2.348 899 G HA2 0.246 4.221 3.960 0.024 0.000 0.296 899 G HA3 0.246 4.221 3.960 0.024 0.000 0.296 899 G C -1.634 173.302 174.900 0.059 0.000 1.258 899 G CA -1.010 44.036 45.100 -0.090 0.000 0.868 899 G HN 0.394 nan 8.290 nan 0.000 0.488 900 L N 0.841 122.252 121.223 0.314 0.000 2.371 900 L HA 0.663 5.017 4.340 0.024 0.000 0.272 900 L C 1.040 178.055 176.870 0.241 0.000 1.124 900 L CA 0.562 55.555 54.840 0.254 0.000 0.816 900 L CB 0.786 42.931 42.059 0.143 0.000 1.129 900 L HN 1.183 nan 8.230 nan 0.000 0.448 901 G N 2.246 110.967 108.800 -0.132 0.000 2.341 901 G HA2 0.253 4.227 3.960 0.024 0.000 0.299 901 G HA3 0.253 4.227 3.960 0.024 0.000 0.299 901 G C -2.773 171.307 174.900 -1.366 0.000 1.274 901 G CA -0.256 44.393 45.100 -0.751 0.000 0.853 901 G HN 0.316 nan 8.290 nan 0.000 0.493 902 P HA 0.091 nan 4.420 nan 0.000 0.230 902 P C 0.515 177.609 177.300 -0.342 0.000 1.168 902 P CA 0.608 63.032 63.100 -1.127 0.000 0.793 902 P CB 0.472 31.631 31.700 -0.902 0.000 0.851 903 Q N 0.530 120.130 119.800 -0.333 0.000 2.396 903 Q HA 0.131 4.485 4.340 0.024 0.000 0.221 903 Q C 0.423 176.309 176.000 -0.190 0.000 1.025 903 Q CA -0.567 55.116 55.803 -0.200 0.000 0.946 903 Q CB 0.558 29.197 28.738 -0.165 0.000 1.224 903 Q HN 0.141 nan 8.270 nan 0.000 0.539 904 E N 1.271 121.367 120.200 -0.174 0.000 2.568 904 E HA -0.131 4.233 4.350 0.024 0.000 0.262 904 E C -1.121 175.394 176.600 -0.142 0.000 0.961 904 E CA 0.321 56.609 56.400 -0.187 0.000 0.945 904 E CB 0.240 29.901 29.700 -0.065 0.000 0.924 904 E HN 0.592 nan 8.360 nan 0.000 0.467 905 N N 2.615 121.149 118.700 -0.277 0.000 2.405 905 N HA 0.320 5.075 4.740 0.024 0.000 0.274 905 N C -1.900 173.354 175.510 -0.427 0.000 1.170 905 N CA -0.670 52.276 53.050 -0.173 0.000 0.848 905 N CB 0.679 39.087 38.487 -0.131 0.000 1.629 905 N HN 0.256 nan 8.380 nan 0.000 0.481 906 Y N -0.307 119.904 120.300 -0.148 0.000 2.630 906 Y HA 0.516 5.080 4.550 0.024 0.000 0.337 906 Y C -1.618 174.204 175.900 -0.131 0.000 1.051 906 Y CA -2.019 55.978 58.100 -0.172 0.000 1.121 906 Y CB 1.849 40.206 38.460 -0.170 0.000 1.299 906 Y HN 0.439 nan 8.280 nan 0.000 0.498 907 P HA -0.183 nan 4.420 nan 0.000 0.216 907 P C 0.402 177.570 177.300 -0.220 0.000 1.153 907 P CA 2.134 65.250 63.100 0.027 0.000 0.858 907 P CB 0.172 31.998 31.700 0.210 0.000 0.789 908 D N -2.168 117.875 120.400 -0.595 0.000 2.325 908 D HA 0.001 4.655 4.640 0.024 0.000 0.225 908 D C 0.683 176.826 176.300 -0.262 0.000 1.096 908 D CA 0.061 53.505 54.000 -0.928 0.000 0.844 908 D CB -0.269 39.708 40.800 -1.371 0.000 0.925 908 D HN 0.133 nan 8.370 nan 0.000 0.513 909 R N 0.959 121.408 120.500 -0.083 0.000 2.734 909 R HA 0.175 4.529 4.340 0.024 0.000 0.242 909 R C -0.722 175.609 176.300 0.052 0.000 1.617 909 R CA -0.155 55.964 56.100 0.031 0.000 1.572 909 R CB 0.020 30.347 30.300 0.046 0.000 1.477 909 R HN 0.109 nan 8.270 nan 0.000 0.707 910 L N -1.680 119.579 121.223 0.060 0.000 3.410 910 L HA 0.350 4.704 4.340 0.024 0.000 0.309 910 L C 1.335 178.261 176.870 0.094 0.000 1.254 910 L CA 0.100 54.973 54.840 0.056 0.000 1.048 910 L CB 0.238 42.319 42.059 0.036 0.000 1.442 910 L HN 0.103 nan 8.230 nan 0.000 0.615 911 T N -2.552 112.085 114.554 0.139 0.000 2.867 911 T HA 0.002 4.367 4.350 0.024 0.000 0.268 911 T C 1.775 176.509 174.700 0.056 0.000 1.057 911 T CA 1.326 63.533 62.100 0.178 0.000 1.136 911 T CB -0.320 68.717 68.868 0.281 0.000 0.874 911 T HN 0.382 nan 8.240 nan 0.000 0.466 912 A N 1.589 124.440 122.820 0.052 0.000 2.119 912 A HA 0.658 4.992 4.320 0.024 0.000 0.216 912 A C 1.615 179.262 177.584 0.105 0.000 1.152 912 A CA 0.482 52.487 52.037 -0.053 0.000 0.708 912 A CB -0.928 18.199 19.000 0.211 0.000 0.805 912 A HN 0.842 nan 8.150 nan 0.000 0.460 913 A N -1.000 121.842 122.820 0.037 0.000 2.407 913 A HA 0.437 4.771 4.320 0.024 0.000 0.248 913 A C 0.044 177.658 177.584 0.051 0.000 1.082 913 A CA -0.033 51.994 52.037 -0.017 0.000 0.785 913 A CB -0.153 18.828 19.000 -0.032 0.000 1.020 913 A HN 0.472 nan 8.150 nan 0.000 0.489 914 C N 0.807 120.143 119.300 0.060 0.000 2.493 914 C HA 0.543 5.017 4.460 0.024 0.000 0.326 914 C C -0.108 175.004 174.990 0.204 0.000 1.200 914 C CA -0.463 58.649 59.018 0.158 0.000 1.739 914 C CB 0.781 28.636 27.740 0.193 0.000 2.300 914 C HN 0.785 nan 8.230 nan 0.000 0.500 915 F N 3.774 123.571 119.950 -0.256 0.000 2.444 915 F HA 0.478 5.019 4.527 0.024 0.000 0.360 915 F C 0.341 175.808 175.800 -0.555 0.000 1.106 915 F CA 1.111 58.791 58.000 -0.533 0.000 1.170 915 F CB -0.080 38.028 39.000 -1.486 0.000 1.113 915 F HN 0.614 nan 8.300 nan 0.000 0.521 916 D N 3.278 123.036 120.400 -1.071 0.000 2.865 916 D HA 0.184 4.838 4.640 0.024 0.000 0.343 916 D C -1.618 173.745 176.300 -1.561 0.000 1.372 916 D CA -0.732 52.513 54.000 -1.259 0.000 0.862 916 D CB 1.494 41.488 40.800 -1.344 0.000 1.425 916 D HN 0.506 nan 8.370 nan 0.000 0.501 917 R N 0.776 120.467 120.500 -1.348 0.000 2.215 917 R HA 0.528 4.882 4.340 0.024 0.000 0.336 917 R C -1.388 174.198 176.300 -1.189 0.000 0.996 917 R CA -0.307 55.166 56.100 -1.046 0.000 0.847 917 R CB 0.236 30.180 30.300 -0.593 0.000 1.127 917 R HN 0.270 nan 8.270 nan 0.000 0.465 918 W N 2.629 123.391 121.300 -0.898 0.000 2.639 918 W HA 0.407 5.082 4.660 0.024 0.000 0.347 918 W C -0.451 175.691 176.519 -0.627 0.000 1.067 918 W CA -0.698 56.075 57.345 -0.954 0.000 1.218 918 W CB 1.698 30.083 29.460 -1.792 0.000 1.393 918 W HN 0.409 nan 8.180 nan 0.000 0.557 919 D N 2.636 123.014 120.400 -0.037 0.000 2.736 919 D HA 0.490 5.145 4.640 0.024 0.000 0.243 919 D C -1.525 174.895 176.300 0.199 0.000 1.304 919 D CA -0.187 53.885 54.000 0.119 0.000 0.934 919 D CB 1.070 41.891 40.800 0.034 0.000 1.382 919 D HN 0.396 nan 8.370 nan 0.000 0.571 920 L N 3.166 124.581 121.223 0.319 0.000 2.359 920 L HA 0.574 4.928 4.340 0.024 0.000 0.256 920 L C -2.300 174.688 176.870 0.198 0.000 1.026 920 L CA -2.183 52.801 54.840 0.240 0.000 0.828 920 L CB 2.818 45.041 42.059 0.274 0.000 1.406 920 L HN 0.195 nan 8.230 nan 0.000 0.413 921 P HA 0.040 nan 4.420 nan 0.000 0.271 921 P C 0.546 177.916 177.300 0.117 0.000 1.218 921 P CA -0.359 62.809 63.100 0.113 0.000 0.780 921 P CB 0.979 32.725 31.700 0.077 0.000 0.901 922 L N 3.629 124.926 121.223 0.123 0.000 2.051 922 L HA -0.273 4.081 4.340 0.024 0.000 0.214 922 L C 2.336 179.242 176.870 0.061 0.000 1.076 922 L CA 2.817 57.715 54.840 0.097 0.000 0.758 922 L CB -1.506 40.620 42.059 0.111 0.000 0.890 922 L HN 0.477 nan 8.230 nan 0.000 0.433 923 S N -1.882 113.858 115.700 0.066 0.000 2.419 923 S HA -0.183 4.301 4.470 0.024 0.000 0.233 923 S C 1.633 176.294 174.600 0.101 0.000 1.016 923 S CA 1.145 59.398 58.200 0.088 0.000 0.974 923 S CB -0.778 62.470 63.200 0.080 0.000 0.786 923 S HN 0.524 nan 8.310 nan 0.000 0.492 924 D N 1.199 121.635 120.400 0.060 0.000 2.350 924 D HA 0.067 4.722 4.640 0.024 0.000 0.216 924 D C 1.238 177.528 176.300 -0.015 0.000 0.968 924 D CA 0.630 54.644 54.000 0.022 0.000 0.894 924 D CB -0.159 40.661 40.800 0.033 0.000 0.909 924 D HN 0.396 nan 8.370 nan 0.000 0.520 925 M N -0.458 119.141 119.600 -0.002 0.000 2.561 925 M HA 0.047 4.541 4.480 0.024 0.000 0.238 925 M C -0.003 176.285 176.300 -0.019 0.000 1.131 925 M CA 0.006 55.261 55.300 -0.075 0.000 1.046 925 M CB -0.809 31.735 32.600 -0.094 0.000 1.532 925 M HN -0.037 nan 8.290 nan 0.000 0.497 926 Y N -0.185 120.065 120.300 -0.083 0.000 2.376 926 Y HA 0.507 5.071 4.550 0.024 0.000 0.340 926 Y C -0.836 175.018 175.900 -0.076 0.000 0.965 926 Y CA -1.013 57.062 58.100 -0.041 0.000 1.078 926 Y CB 1.322 39.811 38.460 0.049 0.000 1.193 926 Y HN -0.137 nan 8.280 nan 0.000 0.452 927 T N 8.996 123.060 114.554 -0.817 0.000 2.756 927 T HA 0.288 4.652 4.350 0.024 0.000 0.290 927 T C -2.675 171.273 174.700 -1.254 0.000 0.985 927 T CA -1.492 60.065 62.100 -0.906 0.000 0.955 927 T CB 1.068 69.501 68.868 -0.725 0.000 0.930 927 T HN 0.468 nan 8.240 nan 0.000 0.451 928 P HA 0.126 nan 4.420 nan 0.000 0.225 928 P C -0.653 176.516 177.300 -0.218 0.000 1.768 928 P CA -0.459 62.258 63.100 -0.638 0.000 0.943 928 P CB -0.718 30.743 31.700 -0.398 0.000 1.936 929 Y N -0.189 120.079 120.300 -0.053 0.000 2.717 929 Y HA -0.107 4.457 4.550 0.024 0.000 0.330 929 Y C 2.293 178.269 175.900 0.127 0.000 1.217 929 Y CA -0.400 57.728 58.100 0.047 0.000 1.506 929 Y CB 0.481 38.909 38.460 -0.054 0.000 1.268 929 Y HN -0.071 nan 8.280 nan 0.000 0.561 930 V N 3.651 123.808 119.914 0.405 0.000 2.324 930 V HA -0.315 3.819 4.120 0.024 0.000 0.250 930 V C 0.567 176.860 176.094 0.332 0.000 1.060 930 V CA 1.490 64.005 62.300 0.359 0.000 1.042 930 V CB -0.551 31.516 31.823 0.407 0.000 0.650 930 V HN 0.589 nan 8.190 nan 0.000 0.450 931 F N 3.115 123.146 119.950 0.135 0.000 2.371 931 F HA 0.511 5.053 4.527 0.024 0.000 0.363 931 F C -2.430 173.405 175.800 0.058 0.000 1.122 931 F CA -3.482 54.546 58.000 0.046 0.000 1.129 931 F CB 0.713 39.649 39.000 -0.107 0.000 1.173 931 F HN -0.002 nan 8.300 nan 0.000 0.489 932 P HA 0.289 nan 4.420 nan 0.000 0.271 932 P C -1.030 175.973 177.300 -0.496 0.000 1.218 932 P CA 0.040 62.915 63.100 -0.375 0.000 0.780 932 P CB 1.281 32.785 31.700 -0.326 0.000 0.901 933 S N -0.337 115.263 115.700 -0.168 0.000 2.683 933 S HA 0.406 4.890 4.470 0.024 0.000 0.269 933 S C -0.894 173.705 174.600 -0.003 0.000 1.165 933 S CA -0.958 57.180 58.200 -0.102 0.000 0.840 933 S CB 0.235 63.410 63.200 -0.042 0.000 1.169 933 S HN 0.341 nan 8.310 nan 0.000 0.490 934 E N 1.294 121.502 120.200 0.015 0.000 2.529 934 E HA 0.373 4.738 4.350 0.024 0.000 0.259 934 E C -0.165 176.488 176.600 0.089 0.000 0.966 934 E CA 0.825 57.260 56.400 0.058 0.000 0.937 934 E CB -0.276 29.481 29.700 0.095 0.000 0.923 934 E HN 0.786 nan 8.360 nan 0.000 0.468 935 N N 1.493 120.283 118.700 0.151 0.000 3.020 935 N HA 0.487 5.242 4.740 0.024 0.000 0.248 935 N C 0.169 175.746 175.510 0.111 0.000 1.480 935 N CA -0.586 52.594 53.050 0.217 0.000 0.874 935 N CB 0.831 39.455 38.487 0.227 0.000 1.433 935 N HN 0.692 nan 8.380 nan 0.000 0.530 936 G N -1.259 107.570 108.800 0.048 0.000 2.166 936 G HA2 -0.274 3.700 3.960 0.024 0.000 0.260 936 G HA3 -0.274 3.700 3.960 0.024 0.000 0.260 936 G C -0.195 174.455 174.900 -0.416 0.000 0.986 936 G CA 0.537 45.538 45.100 -0.165 0.000 0.683 936 G HN 0.682 nan 8.290 nan 0.000 0.527 937 L N -0.263 120.647 121.223 -0.521 0.000 2.483 937 L HA 0.659 5.013 4.340 0.024 0.000 0.275 937 L C 0.708 177.012 176.870 -0.945 0.000 1.220 937 L CA 0.444 54.739 54.840 -0.909 0.000 0.833 937 L CB 0.549 41.767 42.059 -1.402 0.000 1.102 937 L HN 0.264 nan 8.230 nan 0.000 0.490 938 R N 2.048 121.908 120.500 -1.068 0.000 2.532 938 R HA 0.507 4.861 4.340 0.024 0.000 0.297 938 R C -1.014 174.956 176.300 -0.550 0.000 0.984 938 R CA -0.278 55.339 56.100 -0.805 0.000 0.884 938 R CB 1.437 31.139 30.300 -0.997 0.000 1.182 938 R HN 0.702 nan 8.270 nan 0.000 0.442 939 C N 0.247 119.369 119.300 -0.298 0.000 2.380 939 C HA 0.724 5.198 4.460 0.024 0.000 0.393 939 C C 1.221 176.202 174.990 -0.015 0.000 1.284 939 C CA -0.028 58.889 59.018 -0.169 0.000 2.033 939 C CB 1.367 29.026 27.740 -0.135 0.000 2.165 939 C HN 1.023 nan 8.230 nan 0.000 0.540 940 G N 1.780 110.579 108.800 -0.002 0.000 2.356 940 G HA2 -0.184 3.791 3.960 0.024 0.000 0.296 940 G HA3 -0.184 3.791 3.960 0.024 0.000 0.296 940 G C -0.063 174.911 174.900 0.123 0.000 1.022 940 G CA 0.631 45.779 45.100 0.080 0.000 0.961 940 G HN 0.790 nan 8.290 nan 0.000 0.510 941 T N -0.137 114.357 114.554 -0.100 0.000 2.799 941 T HA 0.537 4.901 4.350 0.024 0.000 0.286 941 T C 1.297 175.689 174.700 -0.514 0.000 0.973 941 T CA -0.653 61.329 62.100 -0.197 0.000 1.035 941 T CB 1.430 70.223 68.868 -0.125 0.000 0.932 941 T HN 0.209 nan 8.240 nan 0.000 0.469 942 R N 1.429 121.853 120.500 -0.128 0.000 2.279 942 R HA 0.297 4.651 4.340 0.024 0.000 0.195 942 R C 0.480 176.811 176.300 0.051 0.000 0.905 942 R CA 0.208 56.292 56.100 -0.028 0.000 1.044 942 R CB 0.352 30.767 30.300 0.191 0.000 1.056 942 R HN 0.699 nan 8.270 nan 0.000 0.535 943 E N 0.439 120.676 120.200 0.062 0.000 2.321 943 E HA 0.362 4.726 4.350 0.024 0.000 0.281 943 E C -1.858 174.888 176.600 0.243 0.000 0.910 943 E CA -0.660 55.862 56.400 0.204 0.000 0.770 943 E CB 1.492 31.272 29.700 0.133 0.000 1.225 943 E HN -0.092 nan 8.360 nan 0.000 0.417 944 L N 4.018 125.450 121.223 0.348 0.000 2.408 944 L HA 0.616 4.970 4.340 0.024 0.000 0.268 944 L C -1.843 175.218 176.870 0.318 0.000 0.986 944 L CA -0.386 54.589 54.840 0.225 0.000 0.820 944 L CB 1.849 43.892 42.059 -0.027 0.000 1.303 944 L HN 0.497 nan 8.230 nan 0.000 0.411 945 N N 4.323 123.181 118.700 0.264 0.000 2.296 945 N HA 0.396 5.150 4.740 0.024 0.000 0.294 945 N C -2.005 173.725 175.510 0.366 0.000 1.033 945 N CA -0.290 52.916 53.050 0.260 0.000 0.839 945 N CB 2.250 40.830 38.487 0.154 0.000 1.395 945 N HN 0.577 nan 8.380 nan 0.000 0.479 946 Y N 1.129 121.573 120.300 0.240 0.000 2.307 946 Y HA 0.406 4.970 4.550 0.024 0.000 0.323 946 Y C 0.655 176.658 175.900 0.172 0.000 1.100 946 Y CA 0.127 58.369 58.100 0.235 0.000 1.140 946 Y CB 0.675 39.341 38.460 0.342 0.000 1.159 946 Y HN 0.874 nan 8.280 nan 0.000 0.436 947 G N 6.591 115.186 108.800 -0.343 0.000 2.574 947 G HA2 -0.288 3.686 3.960 0.024 0.000 0.286 947 G HA3 -0.288 3.686 3.960 0.024 0.000 0.286 947 G C -1.815 172.953 174.900 -0.220 0.000 1.212 947 G CA 0.109 45.011 45.100 -0.330 0.000 0.979 947 G HN 0.559 nan 8.290 nan 0.000 0.557 948 P HA 0.168 nan 4.420 nan 0.000 0.255 948 P C 0.125 177.204 177.300 -0.368 0.000 1.248 948 P CA 0.529 63.432 63.100 -0.328 0.000 0.807 948 P CB 0.053 31.515 31.700 -0.395 0.000 1.150 949 H N 0.612 119.614 119.070 -0.113 0.000 2.481 949 H HA 0.436 5.006 4.556 0.024 0.000 0.339 949 H C -0.005 175.034 175.328 -0.482 0.000 1.131 949 H CA 0.108 55.958 56.048 -0.330 0.000 1.301 949 H CB 1.542 30.917 29.762 -0.645 0.000 1.476 949 H HN 0.104 nan 8.280 nan 0.000 0.529 950 Q N 2.742 122.257 119.800 -0.475 0.000 2.305 950 Q HA 0.233 4.588 4.340 0.024 0.000 0.271 950 Q C -1.596 174.114 176.000 -0.483 0.000 1.046 950 Q CA -0.695 54.924 55.803 -0.306 0.000 0.798 950 Q CB 1.998 30.703 28.738 -0.055 0.000 1.286 950 Q HN 0.582 nan 8.270 nan 0.000 0.435 951 W N 3.898 125.157 121.300 -0.069 0.000 2.632 951 W HA 0.571 5.245 4.660 0.024 0.000 0.328 951 W C -0.235 176.362 176.519 0.130 0.000 1.044 951 W CA -0.730 56.536 57.345 -0.131 0.000 1.225 951 W CB 2.001 31.165 29.460 -0.493 0.000 1.396 951 W HN 0.528 nan 8.180 nan 0.000 0.499 952 R N 0.762 121.492 120.500 0.382 0.000 2.750 952 R HA 0.796 5.150 4.340 0.024 0.000 0.281 952 R C 0.214 176.800 176.300 0.476 0.000 0.972 952 R CA -0.469 55.886 56.100 0.425 0.000 0.912 952 R CB 2.409 32.863 30.300 0.257 0.000 1.187 952 R HN 0.737 nan 8.270 nan 0.000 0.464 953 G N 0.627 109.711 108.800 0.475 0.000 2.600 953 G HA2 0.034 4.008 3.960 0.024 0.000 0.103 953 G HA3 0.034 4.008 3.960 0.024 0.000 0.103 953 G C -1.741 173.290 174.900 0.219 0.000 1.090 953 G CA -0.305 45.030 45.100 0.392 0.000 1.090 953 G HN 0.489 nan 8.290 nan 0.000 0.500 954 D N 0.032 120.561 120.400 0.215 0.000 2.411 954 D HA 0.576 5.230 4.640 0.024 0.000 0.239 954 D C -0.757 175.558 176.300 0.024 0.000 1.307 954 D CA -0.487 53.528 54.000 0.025 0.000 0.930 954 D CB 0.190 41.034 40.800 0.073 0.000 1.395 954 D HN 0.528 nan 8.370 nan 0.000 0.536 955 F N -0.174 119.780 119.950 0.007 0.000 2.706 955 F HA 0.745 5.287 4.527 0.024 0.000 0.328 955 F C -1.037 174.734 175.800 -0.047 0.000 1.123 955 F CA -1.006 56.941 58.000 -0.088 0.000 0.978 955 F CB 0.866 39.812 39.000 -0.090 0.000 1.404 955 F HN -0.154 nan 8.300 nan 0.000 0.497 956 Q N 1.644 121.529 119.800 0.142 0.000 2.345 956 Q HA 0.619 4.973 4.340 0.024 0.000 0.268 956 Q C -1.339 174.738 176.000 0.128 0.000 1.054 956 Q CA -0.517 55.281 55.803 -0.008 0.000 0.835 956 Q CB 2.747 31.379 28.738 -0.177 0.000 1.339 956 Q HN 0.861 nan 8.270 nan 0.000 0.447 957 F N -0.858 118.996 119.950 -0.160 0.000 2.645 957 F HA 0.750 5.291 4.527 0.024 0.000 0.310 957 F C -1.521 174.072 175.800 -0.345 0.000 1.102 957 F CA -1.068 56.791 58.000 -0.235 0.000 0.952 957 F CB 1.641 40.525 39.000 -0.193 0.000 1.326 957 F HN 0.551 nan 8.300 nan 0.000 0.456 958 N N 1.987 120.485 118.700 -0.336 0.000 2.284 958 N HA 0.715 5.469 4.740 0.024 0.000 0.289 958 N C -2.099 173.340 175.510 -0.119 0.000 1.179 958 N CA -0.742 52.096 53.050 -0.353 0.000 0.774 958 N CB 2.580 40.891 38.487 -0.293 0.000 1.548 958 N HN 1.112 nan 8.380 nan 0.000 0.473 959 I N 0.569 121.062 120.570 -0.128 0.000 2.610 959 I HA 0.670 4.855 4.170 0.024 0.000 0.289 959 I C -1.403 174.622 176.117 -0.153 0.000 1.163 959 I CA 0.034 61.233 61.300 -0.169 0.000 1.044 959 I CB 1.311 39.156 38.000 -0.259 0.000 1.251 959 I HN 1.046 nan 8.210 nan 0.000 0.424 960 S N 6.193 121.811 115.700 -0.138 0.000 2.655 960 S HA 0.493 4.978 4.470 0.024 0.000 0.266 960 S C -0.165 174.314 174.600 -0.201 0.000 1.149 960 S CA -0.998 57.104 58.200 -0.164 0.000 0.818 960 S CB 1.630 64.773 63.200 -0.094 0.000 1.130 960 S HN 0.631 nan 8.310 nan 0.000 0.476 961 R N -0.181 120.021 120.500 -0.497 0.000 2.320 961 R HA 0.222 4.576 4.340 0.024 0.000 0.211 961 R C -0.768 175.251 176.300 -0.468 0.000 0.931 961 R CA 0.370 56.181 56.100 -0.482 0.000 1.071 961 R CB -0.903 29.038 30.300 -0.598 0.000 1.025 961 R HN 0.671 nan 8.270 nan 0.000 0.495 962 Y N 0.410 120.686 120.300 -0.039 0.000 2.350 962 Y HA 0.199 4.764 4.550 0.024 0.000 0.338 962 Y C 0.733 176.429 175.900 -0.340 0.000 0.961 962 Y CA -1.140 56.846 58.100 -0.190 0.000 1.100 962 Y CB 1.452 39.748 38.460 -0.273 0.000 1.179 962 Y HN -0.093 nan 8.280 nan 0.000 0.454 963 S N 1.518 116.866 115.700 -0.588 0.000 2.600 963 S HA 0.045 4.530 4.470 0.024 0.000 0.265 963 S C 0.890 175.141 174.600 -0.582 0.000 1.325 963 S CA -0.743 56.706 58.200 -1.252 0.000 1.002 963 S CB 1.117 63.419 63.200 -1.496 0.000 0.921 963 S HN 0.726 nan 8.310 nan 0.000 0.554 964 Q N 0.493 119.974 119.800 -0.532 0.000 2.170 964 Q HA -0.173 4.181 4.340 0.024 0.000 0.203 964 Q C 2.216 178.078 176.000 -0.230 0.000 0.976 964 Q CA 1.578 57.218 55.803 -0.273 0.000 0.858 964 Q CB -0.520 28.094 28.738 -0.206 0.000 0.907 964 Q HN 0.940 nan 8.270 nan 0.000 0.433 965 Q N 0.725 120.347 119.800 -0.297 0.000 2.061 965 Q HA -0.239 4.115 4.340 0.024 0.000 0.204 965 Q C 2.104 178.000 176.000 -0.174 0.000 0.984 965 Q CA 1.683 57.371 55.803 -0.192 0.000 0.846 965 Q CB 0.009 28.645 28.738 -0.170 0.000 0.902 965 Q HN 0.425 nan 8.270 nan 0.000 0.421 966 Q N 0.026 119.695 119.800 -0.218 0.000 2.050 966 Q HA -0.176 4.178 4.340 0.024 0.000 0.202 966 Q C 2.263 178.142 176.000 -0.201 0.000 0.980 966 Q CA 1.477 57.168 55.803 -0.187 0.000 0.840 966 Q CB -0.113 28.496 28.738 -0.215 0.000 0.898 966 Q HN 0.477 nan 8.270 nan 0.000 0.424 967 L N 0.508 121.605 121.223 -0.210 0.000 2.083 967 L HA -0.213 4.141 4.340 0.024 0.000 0.209 967 L C 2.713 179.450 176.870 -0.222 0.000 1.083 967 L CA 1.531 56.239 54.840 -0.219 0.000 0.752 967 L CB -0.515 41.450 42.059 -0.156 0.000 0.899 967 L HN 0.489 nan 8.230 nan 0.000 0.433 968 M N -1.672 117.831 119.600 -0.163 0.000 2.492 968 M HA -0.070 4.425 4.480 0.024 0.000 0.262 968 M C 1.387 177.615 176.300 -0.119 0.000 1.090 968 M CA 1.577 56.797 55.300 -0.132 0.000 1.110 968 M CB -0.234 32.307 32.600 -0.098 0.000 1.407 968 M HN 0.105 nan 8.290 nan 0.000 0.470 969 E N 0.987 121.115 120.200 -0.120 0.000 2.474 969 E HA 0.110 4.475 4.350 0.024 0.000 0.195 969 E C -0.409 176.141 176.600 -0.082 0.000 1.039 969 E CA 0.129 56.480 56.400 -0.081 0.000 0.881 969 E CB 0.592 30.250 29.700 -0.069 0.000 0.970 969 E HN 0.448 nan 8.360 nan 0.000 0.486 970 T N -0.028 114.441 114.554 -0.141 0.000 2.807 970 T HA 0.110 4.474 4.350 0.024 0.000 0.279 970 T C 0.973 175.586 174.700 -0.146 0.000 0.993 970 T CA -0.555 61.465 62.100 -0.134 0.000 0.970 970 T CB 1.757 70.509 68.868 -0.194 0.000 0.950 970 T HN -0.015 nan 8.240 nan 0.000 0.441 971 S N 1.376 117.099 115.700 0.038 0.000 2.501 971 S HA 0.084 4.568 4.470 0.024 0.000 0.220 971 S C 0.213 174.939 174.600 0.211 0.000 0.997 971 S CA 0.241 58.581 58.200 0.233 0.000 0.919 971 S CB -0.253 63.222 63.200 0.459 0.000 0.778 971 S HN 0.746 nan 8.310 nan 0.000 0.523 972 H N 0.651 119.737 119.070 0.026 0.000 2.759 972 H HA 0.492 5.062 4.556 0.024 0.000 0.354 972 H C 0.842 176.144 175.328 -0.044 0.000 1.074 972 H CA -0.748 55.359 56.048 0.097 0.000 1.226 972 H CB 1.480 31.305 29.762 0.104 0.000 1.648 972 H HN 0.149 nan 8.280 nan 0.000 0.529 973 R N 1.870 122.478 120.500 0.180 0.000 2.159 973 R HA -0.179 4.175 4.340 0.024 0.000 0.237 973 R C 1.054 177.361 176.300 0.011 0.000 1.131 973 R CA 1.895 58.029 56.100 0.056 0.000 0.982 973 R CB -0.408 29.969 30.300 0.128 0.000 0.868 973 R HN 0.762 nan 8.270 nan 0.000 0.453 974 H N 0.778 119.840 119.070 -0.014 0.000 2.546 974 H HA 0.051 4.621 4.556 0.024 0.000 0.277 974 H C 1.418 176.657 175.328 -0.149 0.000 1.004 974 H CA 0.630 56.631 56.048 -0.079 0.000 1.231 974 H CB -0.097 29.607 29.762 -0.096 0.000 1.382 974 H HN 0.313 nan 8.280 nan 0.000 0.580 975 L N 0.951 121.808 121.223 -0.611 0.000 2.592 975 L HA 0.228 4.582 4.340 0.024 0.000 0.227 975 L C 0.481 177.204 176.870 -0.245 0.000 1.127 975 L CA -0.140 54.405 54.840 -0.492 0.000 0.884 975 L CB 0.146 41.879 42.059 -0.543 0.000 1.065 975 L HN 0.044 nan 8.230 nan 0.000 0.457 976 L N 0.816 121.885 121.223 -0.256 0.000 2.395 976 L HA 0.212 4.566 4.340 0.024 0.000 0.269 976 L C 0.117 176.923 176.870 -0.108 0.000 1.133 976 L CA -0.230 54.420 54.840 -0.317 0.000 0.812 976 L CB 0.531 42.153 42.059 -0.727 0.000 1.125 976 L HN 0.178 nan 8.230 nan 0.000 0.452 977 H N 1.711 120.778 119.070 -0.005 0.000 2.717 977 H HA 0.582 5.152 4.556 0.024 0.000 0.366 977 H C -0.844 174.617 175.328 0.223 0.000 1.132 977 H CA -1.266 54.840 56.048 0.096 0.000 1.180 977 H CB 1.427 31.204 29.762 0.025 0.000 1.678 977 H HN 0.667 nan 8.280 nan 0.000 0.537 978 A N 3.638 126.574 122.820 0.192 0.000 2.524 978 A HA 0.087 4.421 4.320 0.024 0.000 0.250 978 A C 0.390 178.035 177.584 0.101 0.000 1.078 978 A CA -0.164 51.865 52.037 -0.013 0.000 0.761 978 A CB -0.216 18.750 19.000 -0.057 0.000 1.012 978 A HN 0.821 nan 8.150 nan 0.000 0.500 979 E N 1.360 121.587 120.200 0.045 0.000 2.342 979 E HA 0.178 4.542 4.350 0.024 0.000 0.257 979 E C 0.023 176.671 176.600 0.081 0.000 1.150 979 E CA -0.572 55.927 56.400 0.165 0.000 0.926 979 E CB 0.720 30.595 29.700 0.292 0.000 1.074 979 E HN 0.797 nan 8.360 nan 0.000 0.449 980 E N -0.035 120.206 120.200 0.068 0.000 2.398 980 E HA 0.217 4.581 4.350 0.024 0.000 0.263 980 E C 0.373 176.928 176.600 -0.075 0.000 1.046 980 E CA 0.616 57.014 56.400 -0.004 0.000 0.908 980 E CB 0.513 30.204 29.700 -0.015 0.000 0.963 980 E HN 0.663 nan 8.360 nan 0.000 0.431 981 G N 2.328 111.083 108.800 -0.074 0.000 2.562 981 G HA2 -0.231 3.743 3.960 0.024 0.000 0.250 981 G HA3 -0.231 3.743 3.960 0.024 0.000 0.250 981 G C -0.635 174.201 174.900 -0.106 0.000 1.269 981 G CA -0.118 44.920 45.100 -0.104 0.000 0.919 981 G HN 0.619 nan 8.290 nan 0.000 0.574 982 T N 0.121 114.584 114.554 -0.151 0.000 2.928 982 T HA 0.500 4.864 4.350 0.024 0.000 0.296 982 T C -0.885 173.661 174.700 -0.256 0.000 1.000 982 T CA -0.190 61.830 62.100 -0.133 0.000 0.989 982 T CB 1.378 70.262 68.868 0.027 0.000 1.005 982 T HN 0.578 nan 8.240 nan 0.000 0.442 983 W N 3.199 124.405 121.300 -0.156 0.000 2.322 983 W HA 0.622 5.296 4.660 0.024 0.000 0.307 983 W C -0.297 176.088 176.519 -0.223 0.000 1.220 983 W CA -0.695 56.555 57.345 -0.159 0.000 1.210 983 W CB 0.790 30.169 29.460 -0.136 0.000 1.223 983 W HN 0.371 nan 8.180 nan 0.000 0.511 984 L N 5.567 126.783 121.223 -0.011 0.000 2.356 984 L HA 0.516 4.870 4.340 0.024 0.000 0.277 984 L C -1.061 175.710 176.870 -0.165 0.000 0.996 984 L CA -0.591 54.123 54.840 -0.211 0.000 0.822 984 L CB 0.976 42.765 42.059 -0.450 0.000 1.256 984 L HN 0.321 nan 8.230 nan 0.000 0.413 985 N N 6.443 125.037 118.700 -0.177 0.000 2.407 985 N HA 0.466 5.220 4.740 0.024 0.000 0.277 985 N C -1.286 174.085 175.510 -0.232 0.000 0.995 985 N CA -0.229 52.715 53.050 -0.177 0.000 0.903 985 N CB 2.652 41.062 38.487 -0.128 0.000 1.218 985 N HN 0.692 nan 8.380 nan 0.000 0.487 986 I N 1.362 121.754 120.570 -0.298 0.000 2.447 986 I HA 0.324 4.508 4.170 0.024 0.000 0.287 986 I C -1.264 174.676 176.117 -0.294 0.000 1.023 986 I CA -0.616 60.486 61.300 -0.331 0.000 1.083 986 I CB 1.171 38.786 38.000 -0.643 0.000 1.245 986 I HN 0.224 nan 8.210 nan 0.000 0.434 987 D N 5.193 125.452 120.400 -0.235 0.000 2.192 987 D HA 0.321 4.976 4.640 0.024 0.000 0.246 987 D C 0.793 176.789 176.300 -0.506 0.000 1.042 987 D CA -0.274 53.517 54.000 -0.348 0.000 0.847 987 D CB 2.300 43.000 40.800 -0.168 0.000 1.186 987 D HN 0.753 nan 8.370 nan 0.000 0.461 988 G N 1.057 109.220 108.800 -1.062 0.000 2.421 988 G HA2 -0.015 3.959 3.960 0.024 0.000 0.217 988 G HA3 -0.015 3.959 3.960 0.024 0.000 0.217 988 G C 0.097 174.251 174.900 -1.243 0.000 1.143 988 G CA 0.577 44.944 45.100 -1.222 0.000 0.784 988 G HN 0.378 nan 8.290 nan 0.000 0.541 989 F N -2.207 117.550 119.950 -0.321 0.000 2.619 989 F HA 0.596 5.137 4.527 0.024 0.000 0.308 989 F C -0.595 175.109 175.800 -0.160 0.000 1.097 989 F CA -1.143 56.749 58.000 -0.180 0.000 0.953 989 F CB 2.155 40.978 39.000 -0.295 0.000 1.287 989 F HN 0.015 nan 8.300 nan 0.000 0.446 990 H N 1.853 120.931 119.070 0.013 0.000 2.865 990 H HA 0.510 5.080 4.556 0.024 0.000 0.362 990 H C -0.861 174.491 175.328 0.041 0.000 1.114 990 H CA -0.827 55.205 56.048 -0.027 0.000 1.208 990 H CB 1.859 31.590 29.762 -0.052 0.000 1.727 990 H HN 0.770 nan 8.280 nan 0.000 0.534 991 M N 3.302 122.858 119.600 -0.074 0.000 2.240 991 M HA 0.298 4.792 4.480 0.024 0.000 0.333 991 M C 0.454 176.869 176.300 0.191 0.000 1.110 991 M CA 0.245 55.571 55.300 0.043 0.000 1.173 991 M CB 0.378 32.905 32.600 -0.121 0.000 1.458 991 M HN 0.835 nan 8.290 nan 0.000 0.458 992 G N 2.739 111.624 108.800 0.143 0.000 2.664 992 G HA2 0.279 4.253 3.960 0.024 0.000 0.242 992 G HA3 0.279 4.253 3.960 0.024 0.000 0.242 992 G C 0.655 175.539 174.900 -0.026 0.000 1.225 992 G CA -0.422 44.691 45.100 0.022 0.000 0.849 992 G HN 0.975 nan 8.290 nan 0.000 0.581 993 I N -1.207 119.306 120.570 -0.095 0.000 3.228 993 I HA 0.366 4.551 4.170 0.024 0.000 0.279 993 I C 1.284 177.345 176.117 -0.093 0.000 1.221 993 I CA 0.518 61.732 61.300 -0.144 0.000 1.458 993 I CB -0.665 37.154 38.000 -0.302 0.000 1.105 993 I HN 0.913 nan 8.210 nan 0.000 0.445 994 G N 1.534 110.298 108.800 -0.059 0.000 2.601 994 G HA2 0.004 3.978 3.960 0.024 0.000 0.252 994 G HA3 0.004 3.978 3.960 0.024 0.000 0.252 994 G C 0.601 175.507 174.900 0.010 0.000 1.294 994 G CA 0.190 45.294 45.100 0.006 0.000 0.912 994 G HN 1.409 nan 8.290 nan 0.000 0.574 995 G N -2.380 106.438 108.800 0.029 0.000 2.370 995 G HA2 -0.004 3.970 3.960 0.024 0.000 0.174 995 G HA3 -0.004 3.970 3.960 0.024 0.000 0.174 995 G C 0.677 175.632 174.900 0.091 0.000 1.002 995 G CA 0.874 45.998 45.100 0.040 0.000 0.730 995 G HN 1.018 nan 8.290 nan 0.000 0.497 996 D N 1.269 121.749 120.400 0.133 0.000 2.172 996 D HA 0.058 4.712 4.640 0.024 0.000 0.196 996 D C 1.079 177.425 176.300 0.077 0.000 0.999 996 D CA 2.190 56.333 54.000 0.238 0.000 0.856 996 D CB 0.090 41.035 40.800 0.243 0.000 0.934 996 D HN 0.831 nan 8.370 nan 0.000 0.453 997 D N -3.481 116.758 120.400 -0.269 0.000 2.626 997 D HA 0.394 5.048 4.640 0.024 0.000 0.278 997 D C -0.811 175.007 176.300 -0.802 0.000 1.211 997 D CA -0.756 52.678 54.000 -0.945 0.000 0.903 997 D CB 1.068 40.787 40.800 -1.801 0.000 1.408 997 D HN -0.283 nan 8.370 nan 0.000 0.454 998 S N -0.586 114.492 115.700 -1.037 0.000 2.741 998 S HA 0.231 4.715 4.470 0.024 0.000 0.247 998 S C -0.684 173.862 174.600 -0.089 0.000 1.050 998 S CA -0.715 57.321 58.200 -0.273 0.000 1.025 998 S CB -0.499 62.813 63.200 0.187 0.000 0.897 998 S HN 0.627 nan 8.310 nan 0.000 0.508 999 W N 1.237 122.456 121.300 -0.135 0.000 2.252 999 W HA 0.606 5.279 4.660 0.023 0.000 0.338 999 W C -0.082 176.367 176.519 -0.116 0.000 0.914 999 W CA -0.588 56.658 57.345 -0.164 0.000 1.754 999 W CB -0.607 28.683 29.460 -0.283 0.000 1.135 999 W HN 0.163 nan 8.180 nan 0.000 0.531 1000 S N -1.342 114.207 115.700 -0.251 0.000 2.587 1000 S HA 0.637 5.121 4.470 0.024 0.000 0.269 1000 S C -3.166 171.362 174.600 -0.119 0.000 1.154 1000 S CA -1.600 56.517 58.200 -0.138 0.000 0.824 1000 S CB 1.484 64.623 63.200 -0.101 0.000 1.118 1000 S HN -0.197 nan 8.310 nan 0.000 0.462 1001 P HA 0.223 nan 4.420 nan 0.000 0.263 1001 P C 0.335 177.671 177.300 0.060 0.000 1.195 1001 P CA -0.003 63.096 63.100 -0.002 0.000 0.762 1001 P CB 0.671 32.260 31.700 -0.184 0.000 0.799 1002 S N 0.815 116.595 115.700 0.134 0.000 2.900 1002 S HA 0.169 4.654 4.470 0.024 0.000 0.253 1002 S C 0.117 174.805 174.600 0.147 0.000 1.029 1002 S CA -0.334 57.918 58.200 0.087 0.000 1.096 1002 S CB -0.266 62.929 63.200 -0.009 0.000 1.067 1002 S HN 0.117 nan 8.310 nan 0.000 0.610 1003 V N 2.661 122.713 119.914 0.229 0.000 2.406 1003 V HA 0.436 4.570 4.120 0.024 0.000 0.272 1003 V C 0.749 176.998 176.094 0.258 0.000 1.043 1003 V CA -0.424 61.993 62.300 0.194 0.000 0.915 1003 V CB 1.116 32.984 31.823 0.076 0.000 0.988 1003 V HN 0.511 nan 8.190 nan 0.000 0.466 1004 S N 3.953 119.816 115.700 0.270 0.000 2.558 1004 S HA 0.218 4.702 4.470 0.024 0.000 0.288 1004 S C 1.599 176.340 174.600 0.236 0.000 1.318 1004 S CA 0.154 58.505 58.200 0.253 0.000 1.056 1004 S CB 0.992 64.370 63.200 0.297 0.000 0.853 1004 S HN 1.019 nan 8.310 nan 0.000 0.505 1005 A N 3.885 126.801 122.820 0.160 0.000 1.927 1005 A HA -0.189 4.145 4.320 0.024 0.000 0.220 1005 A C 2.047 179.668 177.584 0.063 0.000 1.185 1005 A CA 2.022 54.140 52.037 0.135 0.000 0.639 1005 A CB -0.749 18.308 19.000 0.094 0.000 0.820 1005 A HN 0.977 nan 8.150 nan 0.000 0.451 1006 E N -0.891 119.276 120.200 -0.055 0.000 2.409 1006 E HA -0.136 4.228 4.350 0.024 0.000 0.198 1006 E C 0.889 177.239 176.600 -0.417 0.000 1.024 1006 E CA 0.890 57.130 56.400 -0.268 0.000 0.861 1006 E CB -0.433 29.022 29.700 -0.409 0.000 0.788 1006 E HN 0.699 nan 8.360 nan 0.000 0.521 1007 F N 1.062 121.063 119.950 0.086 0.000 2.653 1007 F HA 0.268 4.809 4.527 0.023 0.000 0.304 1007 F C 0.873 176.709 175.800 0.060 0.000 1.092 1007 F CA -0.553 57.497 58.000 0.083 0.000 1.279 1007 F CB 0.575 39.624 39.000 0.081 0.000 1.044 1007 F HN -0.199 nan 8.300 nan 0.000 0.564 1008 Q N 1.406 121.318 119.800 0.186 0.000 2.259 1008 Q HA 0.362 4.716 4.340 0.024 0.000 0.249 1008 Q C -0.149 175.895 176.000 0.073 0.000 0.914 1008 Q CA -0.426 55.462 55.803 0.143 0.000 0.904 1008 Q CB 1.759 30.676 28.738 0.298 0.000 1.213 1008 Q HN 0.274 nan 8.270 nan 0.000 0.428 1009 L N 2.589 123.840 121.223 0.047 0.000 2.399 1009 L HA 0.097 4.451 4.340 0.024 0.000 0.257 1009 L C 0.660 177.511 176.870 -0.032 0.000 1.236 1009 L CA -0.033 54.825 54.840 0.031 0.000 1.144 1009 L CB -0.388 41.589 42.059 -0.137 0.000 1.379 1009 L HN 0.680 nan 8.230 nan 0.000 0.414 1010 S N -1.215 114.374 115.700 -0.185 0.000 2.554 1010 S HA 0.154 4.639 4.470 0.024 0.000 0.226 1010 S C 1.644 176.151 174.600 -0.154 0.000 0.980 1010 S CA 0.161 58.074 58.200 -0.478 0.000 0.939 1010 S CB 0.752 63.504 63.200 -0.747 0.000 0.832 1010 S HN 0.510 nan 8.310 nan 0.000 0.486 1011 A N 1.516 124.278 122.820 -0.097 0.000 2.067 1011 A HA 0.434 4.769 4.320 0.024 0.000 0.219 1011 A C 2.091 179.524 177.584 -0.251 0.000 1.158 1011 A CA 1.332 53.193 52.037 -0.292 0.000 0.661 1011 A CB -1.220 17.390 19.000 -0.650 0.000 0.801 1011 A HN 1.481 nan 8.150 nan 0.000 0.452 1012 G N -1.306 107.440 108.800 -0.091 0.000 2.579 1012 G HA2 -0.277 3.698 3.960 0.024 0.000 0.222 1012 G HA3 -0.277 3.698 3.960 0.024 0.000 0.222 1012 G C 0.416 175.310 174.900 -0.010 0.000 1.201 1012 G CA 0.264 45.366 45.100 0.003 0.000 0.710 1012 G HN 0.702 nan 8.290 nan 0.000 0.516 1013 R N -0.350 120.025 120.500 -0.209 0.000 2.561 1013 R HA 0.695 5.049 4.340 0.024 0.000 0.297 1013 R C -1.544 174.495 176.300 -0.434 0.000 0.969 1013 R CA -0.581 55.431 56.100 -0.146 0.000 0.879 1013 R CB 1.573 31.834 30.300 -0.065 0.000 1.178 1013 R HN 0.270 nan 8.270 nan 0.000 0.445 1014 Y N 0.342 120.628 120.300 -0.023 0.000 2.477 1014 Y HA 0.348 4.912 4.550 0.024 0.000 0.347 1014 Y C -0.422 175.618 175.900 0.232 0.000 0.981 1014 Y CA -0.849 57.206 58.100 -0.074 0.000 1.033 1014 Y CB 2.265 40.562 38.460 -0.272 0.000 1.245 1014 Y HN 0.597 nan 8.280 nan 0.000 0.455 1015 H N 2.670 122.004 119.070 0.441 0.000 2.679 1015 H HA 0.618 5.188 4.556 0.024 0.000 0.360 1015 H C -1.773 173.946 175.328 0.651 0.000 1.105 1015 H CA -0.957 55.340 56.048 0.415 0.000 1.196 1015 H CB 1.305 31.212 29.762 0.242 0.000 1.636 1015 H HN 0.575 nan 8.280 nan 0.000 0.531 1016 Y N 1.551 121.681 120.300 -0.283 0.000 2.609 1016 Y HA 0.490 5.054 4.550 0.024 0.000 0.336 1016 Y C -2.027 173.676 175.900 -0.330 0.000 1.129 1016 Y CA -1.080 56.912 58.100 -0.180 0.000 1.040 1016 Y CB 1.386 39.835 38.460 -0.019 0.000 1.310 1016 Y HN 0.735 nan 8.280 nan 0.000 0.460 1017 Q N 3.033 122.821 119.800 -0.020 0.000 2.379 1017 Q HA 0.816 5.170 4.340 0.024 0.000 0.278 1017 Q C -2.121 173.964 176.000 0.141 0.000 1.068 1017 Q CA -1.126 54.653 55.803 -0.041 0.000 0.816 1017 Q CB 3.475 32.228 28.738 0.025 0.000 1.387 1017 Q HN 0.846 nan 8.270 nan 0.000 0.413 1018 L N 0.876 122.171 121.223 0.120 0.000 2.466 1018 L HA 0.640 4.995 4.340 0.024 0.000 0.258 1018 L C -1.301 175.689 176.870 0.201 0.000 0.973 1018 L CA -1.065 53.888 54.840 0.189 0.000 0.826 1018 L CB 2.881 45.032 42.059 0.153 0.000 1.372 1018 L HN 0.495 nan 8.230 nan 0.000 0.409 1019 V N 1.370 121.426 119.914 0.237 0.000 2.409 1019 V HA 0.392 4.526 4.120 0.024 0.000 0.291 1019 V C -1.227 175.041 176.094 0.290 0.000 1.020 1019 V CA -0.427 62.019 62.300 0.243 0.000 0.848 1019 V CB 1.929 33.867 31.823 0.192 0.000 0.990 1019 V HN 0.594 nan 8.190 nan 0.000 0.430 1020 W N 7.155 128.517 121.300 0.103 0.000 2.376 1020 W HA 0.698 5.372 4.660 0.024 0.000 0.312 1020 W C -0.215 176.301 176.519 -0.005 0.000 1.060 1020 W CA -1.146 56.172 57.345 -0.044 0.000 1.221 1020 W CB 1.354 30.865 29.460 0.084 0.000 1.281 1020 W HN 0.854 nan 8.180 nan 0.000 0.456 1021 C N 3.930 123.465 119.300 0.391 0.000 3.285 1021 C HA 0.753 5.227 4.460 0.024 0.000 0.320 1021 C C -0.418 174.680 174.990 0.181 0.000 1.411 1021 C CA -0.896 58.282 59.018 0.266 0.000 1.429 1021 C CB 1.441 29.284 27.740 0.171 0.000 1.812 1021 C HN 0.716 nan 8.230 nan 0.000 0.454 1022 Q N 1.498 121.361 119.800 0.105 0.000 2.235 1022 Q HA 0.663 5.017 4.340 0.024 0.000 0.250 1022 Q C -0.594 175.400 176.000 -0.009 0.000 0.909 1022 Q CA -0.114 55.698 55.803 0.014 0.000 0.910 1022 Q CB 1.059 29.777 28.738 -0.033 0.000 1.223 1022 Q HN 0.771 nan 8.270 nan 0.000 0.432 1023 K N 0.000 120.365 120.400 -0.059 0.000 2.780 1023 K HA 0.000 4.334 4.320 0.024 0.000 0.191 1023 K CA 0.000 56.255 56.287 -0.054 0.000 0.838 1023 K CB 0.000 32.465 32.500 -0.058 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543