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 1jz7_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 EVQMXGELRD 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 IGVSEATRID 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 0.000 176.103 176.300 -0.328 0.000 0.893 13 R CA 0.000 55.975 56.100 -0.208 0.000 0.921 13 R CB 0.000 30.178 30.300 -0.203 0.000 0.687 14 R N 1.738 121.929 120.500 -0.516 0.000 3.225 14 R HA -0.172 4.183 4.340 0.025 0.000 0.245 14 R C -0.248 175.537 176.300 -0.859 0.000 0.928 14 R CA 0.939 56.337 56.100 -1.171 0.000 0.632 14 R CB -1.396 28.283 30.300 -1.035 0.000 1.038 14 R HN 0.234 nan 8.270 nan 0.000 0.461 15 D N 0.020 120.123 120.400 -0.495 0.000 2.309 15 D HA -0.158 4.497 4.640 0.025 0.000 0.212 15 D C 1.553 177.770 176.300 -0.139 0.000 0.968 15 D CA 1.532 55.316 54.000 -0.360 0.000 0.882 15 D CB -0.097 40.325 40.800 -0.630 0.000 0.918 15 D HN 0.734 nan 8.370 nan 0.000 0.503 16 W N 1.161 122.463 121.300 0.003 0.000 3.405 16 W HA 0.258 4.933 4.660 0.024 0.000 0.300 16 W C 0.338 176.947 176.519 0.149 0.000 1.286 16 W CA -0.391 57.065 57.345 0.185 0.000 1.762 16 W CB -0.247 29.375 29.460 0.269 0.000 1.087 16 W HN -0.209 nan 8.180 nan 0.000 0.703 17 E N 1.354 121.426 120.200 -0.213 0.000 3.575 17 E HA 0.053 4.418 4.350 0.025 0.000 0.201 17 E C -0.763 175.680 176.600 -0.262 0.000 0.999 17 E CA -0.227 56.061 56.400 -0.187 0.000 1.315 17 E CB -0.134 29.436 29.700 -0.216 0.000 1.146 17 E HN 0.039 nan 8.360 nan 0.000 0.453 18 N N 1.075 119.659 118.700 -0.194 0.000 2.629 18 N HA 0.123 4.878 4.740 0.025 0.000 0.277 18 N C -2.423 172.944 175.510 -0.238 0.000 1.188 18 N CA -1.820 51.083 53.050 -0.244 0.000 0.835 18 N CB 1.463 39.819 38.487 -0.218 0.000 1.420 18 N HN -0.172 nan 8.380 nan 0.000 0.542 19 P HA 0.103 nan 4.420 nan 0.000 0.237 19 P C 1.005 178.065 177.300 -0.400 0.000 1.178 19 P CA 0.495 63.271 63.100 -0.541 0.000 0.766 19 P CB 0.120 31.005 31.700 -1.358 0.000 0.876 20 G N -0.433 108.178 108.800 -0.314 0.000 2.813 20 G HA2 0.091 4.065 3.960 0.025 0.000 0.209 20 G HA3 0.091 4.065 3.960 0.025 0.000 0.209 20 G C 0.245 175.065 174.900 -0.133 0.000 1.150 20 G CA 0.151 45.118 45.100 -0.222 0.000 0.785 20 G HN 0.197 nan 8.290 nan 0.000 0.535 21 V N 1.754 121.608 119.914 -0.100 0.000 2.305 21 V HA 0.261 4.396 4.120 0.025 0.000 0.275 21 V C 0.870 177.021 176.094 0.095 0.000 1.020 21 V CA 0.071 62.364 62.300 -0.012 0.000 0.811 21 V CB 1.117 32.916 31.823 -0.041 0.000 1.031 21 V HN 0.324 nan 8.190 nan 0.000 0.439 22 T N 0.622 115.223 114.554 0.077 0.000 3.040 22 T HA 0.359 4.724 4.350 0.025 0.000 0.250 22 T C 0.279 175.026 174.700 0.077 0.000 1.058 22 T CA 0.087 62.238 62.100 0.085 0.000 0.988 22 T CB 0.280 69.149 68.868 0.001 0.000 0.993 22 T HN 0.681 nan 8.240 nan 0.000 0.519 23 Q N 0.173 120.069 119.800 0.159 0.000 2.776 23 Q HA 0.687 5.041 4.340 0.025 0.000 0.289 23 Q C -2.241 173.900 176.000 0.236 0.000 0.912 23 Q CA -1.061 54.826 55.803 0.140 0.000 0.789 23 Q CB 0.852 29.589 28.738 -0.001 0.000 1.498 23 Q HN 0.215 nan 8.270 nan 0.000 0.408 24 L N 1.459 122.849 121.223 0.278 0.000 2.464 24 L HA 0.616 4.971 4.340 0.025 0.000 0.266 24 L C -0.579 176.430 176.870 0.232 0.000 0.965 24 L CA -0.877 54.131 54.840 0.279 0.000 0.833 24 L CB 1.989 44.324 42.059 0.460 0.000 1.296 24 L HN 0.835 nan 8.230 nan 0.000 0.405 25 N N 0.778 119.581 118.700 0.172 0.000 2.753 25 N HA -0.210 4.545 4.740 0.025 0.000 0.251 25 N C 0.198 175.820 175.510 0.187 0.000 1.097 25 N CA 0.843 53.984 53.050 0.152 0.000 0.786 25 N CB -0.762 37.758 38.487 0.056 0.000 1.137 25 N HN 0.663 nan 8.380 nan 0.000 0.566 26 R N 1.055 121.593 120.500 0.063 0.000 2.438 26 R HA 0.346 4.701 4.340 0.025 0.000 0.287 26 R C 0.520 176.697 176.300 -0.204 0.000 1.077 26 R CA -0.288 55.630 56.100 -0.303 0.000 1.034 26 R CB 0.496 30.592 30.300 -0.340 0.000 0.993 26 R HN 0.129 nan 8.270 nan 0.000 0.459 27 L N 3.152 124.219 121.223 -0.260 0.000 2.453 27 L HA 0.283 4.637 4.340 0.025 0.000 0.261 27 L C 0.700 177.516 176.870 -0.090 0.000 1.179 27 L CA -0.527 54.248 54.840 -0.109 0.000 0.813 27 L CB 0.807 42.827 42.059 -0.065 0.000 1.110 27 L HN 0.785 nan 8.230 nan 0.000 0.466 28 A N 1.498 124.304 122.820 -0.024 0.000 2.520 28 A HA 0.458 4.793 4.320 0.025 0.000 0.235 28 A C 0.306 177.887 177.584 -0.005 0.000 1.065 28 A CA 0.065 52.095 52.037 -0.013 0.000 0.764 28 A CB 0.138 19.155 19.000 0.030 0.000 1.002 28 A HN 0.797 nan 8.150 nan 0.000 0.502 29 A N 1.384 124.157 122.820 -0.079 0.000 2.332 29 A HA 0.707 5.042 4.320 0.025 0.000 0.258 29 A C 0.074 177.554 177.584 -0.173 0.000 1.087 29 A CA 0.422 52.335 52.037 -0.206 0.000 0.802 29 A CB 0.013 18.884 19.000 -0.215 0.000 1.042 29 A HN 1.936 nan 8.150 nan 0.000 0.489 30 H N -2.314 116.598 119.070 -0.263 0.000 2.917 30 H HA 0.629 5.200 4.556 0.025 0.000 0.299 30 H C -3.431 171.616 175.328 -0.468 0.000 1.418 30 H CA -1.755 54.071 56.048 -0.370 0.000 1.138 30 H CB 0.062 29.474 29.762 -0.583 0.000 1.830 30 H HN 0.379 nan 8.280 nan 0.000 0.514 31 P HA 0.237 nan 4.420 nan 0.000 0.274 31 P C -2.611 174.562 177.300 -0.211 0.000 1.256 31 P CA -1.483 61.431 63.100 -0.310 0.000 0.795 31 P CB -0.169 31.268 31.700 -0.438 0.000 1.038 32 P HA 0.045 nan 4.420 nan 0.000 0.261 32 P C -0.793 176.735 177.300 0.380 0.000 1.183 32 P CA 1.082 64.242 63.100 0.100 0.000 0.761 32 P CB -0.113 31.678 31.700 0.152 0.000 0.785 33 F N 1.422 121.480 119.950 0.179 0.000 2.538 33 F HA 0.602 5.144 4.527 0.025 0.000 0.325 33 F C 1.004 176.733 175.800 -0.118 0.000 1.066 33 F CA -1.010 57.030 58.000 0.066 0.000 0.946 33 F CB 2.164 41.153 39.000 -0.017 0.000 1.199 33 F HN 0.223 nan 8.300 nan 0.000 0.473 34 A N 0.417 123.161 122.820 -0.126 0.000 2.664 34 A HA 0.225 4.560 4.320 0.025 0.000 0.222 34 A C 0.633 177.910 177.584 -0.511 0.000 1.320 34 A CA 0.371 52.083 52.037 -0.541 0.000 1.029 34 A CB -0.091 18.077 19.000 -1.386 0.000 1.318 34 A HN 0.732 nan 8.150 nan 0.000 0.589 35 S N 0.565 116.081 115.700 -0.307 0.000 3.477 35 S HA -0.152 4.333 4.470 0.025 0.000 0.371 35 S C 0.034 174.560 174.600 -0.122 0.000 0.965 35 S CA 0.445 58.524 58.200 -0.201 0.000 1.239 35 S CB -1.560 61.527 63.200 -0.187 0.000 0.918 35 S HN 0.471 nan 8.310 nan 0.000 0.498 36 W N 1.480 122.758 121.300 -0.036 0.000 2.170 36 W HA 0.204 4.878 4.660 0.024 0.000 0.342 36 W C 1.312 177.806 176.519 -0.042 0.000 1.294 36 W CA -0.473 56.855 57.345 -0.028 0.000 1.246 36 W CB 0.195 29.638 29.460 -0.027 0.000 1.156 36 W HN 0.314 nan 8.180 nan 0.000 0.572 37 R N 2.116 122.740 120.500 0.207 0.000 2.613 37 R HA 0.098 4.453 4.340 0.025 0.000 0.361 37 R C -0.145 176.206 176.300 0.085 0.000 1.072 37 R CA -0.167 55.994 56.100 0.102 0.000 1.089 37 R CB -0.236 30.094 30.300 0.049 0.000 1.343 37 R HN 0.364 nan 8.270 nan 0.000 0.571 38 N N -0.050 118.712 118.700 0.104 0.000 2.478 38 N HA 0.102 4.857 4.740 0.025 0.000 0.291 38 N C -0.086 175.386 175.510 -0.064 0.000 1.090 38 N CA -0.004 53.056 53.050 0.017 0.000 0.911 38 N CB 1.790 40.288 38.487 0.018 0.000 1.546 38 N HN -0.245 nan 8.380 nan 0.000 0.500 39 S N 2.395 118.038 115.700 -0.095 0.000 2.382 39 S HA -0.177 4.307 4.470 0.025 0.000 0.228 39 S C 1.419 175.844 174.600 -0.293 0.000 1.027 39 S CA 1.329 59.431 58.200 -0.164 0.000 0.991 39 S CB -0.020 63.114 63.200 -0.109 0.000 0.823 39 S HN 0.780 nan 8.310 nan 0.000 0.469 40 E N 1.551 121.592 120.200 -0.265 0.000 2.150 40 E HA -0.136 4.229 4.350 0.025 0.000 0.193 40 E C 1.886 178.254 176.600 -0.387 0.000 0.985 40 E CA 1.041 57.241 56.400 -0.333 0.000 0.814 40 E CB -0.135 29.424 29.700 -0.236 0.000 0.752 40 E HN 0.305 nan 8.360 nan 0.000 0.466 41 E N 0.212 120.194 120.200 -0.362 0.000 2.110 41 E HA -0.178 4.186 4.350 0.025 0.000 0.193 41 E C 2.004 177.957 176.600 -1.077 0.000 0.988 41 E CA 1.164 57.289 56.400 -0.458 0.000 0.804 41 E CB -0.398 29.178 29.700 -0.207 0.000 0.745 41 E HN 0.415 nan 8.360 nan 0.000 0.458 42 A N 1.475 123.502 122.820 -1.321 0.000 1.898 42 A HA -0.184 4.151 4.320 0.025 0.000 0.216 42 A C 2.222 179.221 177.584 -0.974 0.000 1.181 42 A CA 1.569 52.533 52.037 -1.788 0.000 0.620 42 A CB -0.491 17.985 19.000 -0.872 0.000 0.819 42 A HN 0.126 nan 8.150 nan 0.000 0.442 43 R N -0.157 119.947 120.500 -0.659 0.000 2.091 43 R HA -0.145 4.210 4.340 0.025 0.000 0.238 43 R C 1.945 177.994 176.300 -0.418 0.000 1.136 43 R CA 2.145 57.922 56.100 -0.539 0.000 0.959 43 R CB -0.467 29.387 30.300 -0.743 0.000 0.856 43 R HN 0.621 nan 8.270 nan 0.000 0.437 44 T N -2.703 111.607 114.554 -0.407 0.000 3.129 44 T HA 0.057 4.421 4.350 0.025 0.000 0.251 44 T C 0.253 174.854 174.700 -0.165 0.000 1.117 44 T CA 0.484 62.436 62.100 -0.248 0.000 1.034 44 T CB 0.089 68.837 68.868 -0.199 0.000 0.968 44 T HN 0.360 nan 8.240 nan 0.000 0.526 45 D N 0.840 121.093 120.400 -0.244 0.000 2.837 45 D HA -0.160 4.495 4.640 0.025 0.000 0.230 45 D C 0.079 176.492 176.300 0.188 0.000 1.152 45 D CA 0.475 54.488 54.000 0.022 0.000 0.736 45 D CB -1.074 39.788 40.800 0.102 0.000 1.084 45 D HN 0.598 nan 8.370 nan 0.000 0.429 46 R N 0.010 120.586 120.500 0.127 0.000 2.637 46 R HA 0.471 4.825 4.340 0.025 0.000 0.269 46 R C -2.116 174.444 176.300 0.434 0.000 1.089 46 R CA -1.335 54.896 56.100 0.218 0.000 1.177 46 R CB 0.202 30.570 30.300 0.113 0.000 1.091 46 R HN 0.061 nan 8.270 nan 0.000 0.540 47 P HA -0.029 nan 4.420 nan 0.000 0.268 47 P C -0.849 176.604 177.300 0.255 0.000 1.205 47 P CA 0.205 63.441 63.100 0.227 0.000 0.771 47 P CB 0.841 32.627 31.700 0.144 0.000 0.858 48 S N 1.584 117.340 115.700 0.093 0.000 2.454 48 S HA 0.129 4.614 4.470 0.025 0.000 0.306 48 S C 0.976 175.595 174.600 0.032 0.000 1.100 48 S CA -0.546 57.642 58.200 -0.019 0.000 1.087 48 S CB 0.546 63.437 63.200 -0.515 0.000 1.019 48 S HN 0.309 nan 8.310 nan 0.000 0.480 49 Q N 2.354 122.206 119.800 0.086 0.000 2.364 49 Q HA -0.091 4.264 4.340 0.025 0.000 0.209 49 Q C 0.640 176.759 176.000 0.197 0.000 0.977 49 Q CA 1.142 57.028 55.803 0.137 0.000 0.885 49 Q CB 0.017 28.833 28.738 0.130 0.000 0.941 49 Q HN 0.694 nan 8.270 nan 0.000 0.464 50 Q N -0.197 119.630 119.800 0.046 0.000 2.365 50 Q HA 0.111 4.466 4.340 0.025 0.000 0.203 50 Q C -0.453 175.598 176.000 0.085 0.000 0.929 50 Q CA 0.182 55.964 55.803 -0.035 0.000 0.948 50 Q CB 0.423 29.040 28.738 -0.202 0.000 1.043 50 Q HN 0.027 nan 8.270 nan 0.000 0.505 51 L N 0.609 121.904 121.223 0.120 0.000 2.388 51 L HA 0.436 4.790 4.340 0.025 0.000 0.267 51 L C -1.185 175.778 176.870 0.156 0.000 0.995 51 L CA -0.365 54.543 54.840 0.114 0.000 0.864 51 L CB 0.976 43.012 42.059 -0.039 0.000 1.216 51 L HN -0.111 nan 8.230 nan 0.000 0.430 52 R N 2.268 122.895 120.500 0.211 0.000 2.532 52 R HA 0.579 4.934 4.340 0.025 0.000 0.295 52 R C -0.452 175.865 176.300 0.029 0.000 0.968 52 R CA -0.676 55.481 56.100 0.095 0.000 0.916 52 R CB 1.978 32.280 30.300 0.004 0.000 1.124 52 R HN 0.645 nan 8.270 nan 0.000 0.463 53 S N 2.187 117.895 115.700 0.013 0.000 2.537 53 S HA 0.238 4.723 4.470 0.025 0.000 0.275 53 S C 0.712 175.301 174.600 -0.017 0.000 1.272 53 S CA -0.628 57.570 58.200 -0.003 0.000 1.050 53 S CB 0.500 63.710 63.200 0.018 0.000 0.961 53 S HN 0.544 nan 8.310 nan 0.000 0.496 54 L N 3.707 124.916 121.223 -0.024 0.000 2.700 54 L HA 0.284 4.639 4.340 0.025 0.000 0.234 54 L C 0.331 177.338 176.870 0.228 0.000 1.156 54 L CA -0.380 54.467 54.840 0.012 0.000 0.946 54 L CB -0.386 41.615 42.059 -0.096 0.000 1.216 54 L HN 0.508 nan 8.230 nan 0.000 0.493 55 N N 1.162 119.942 118.700 0.134 0.000 2.415 55 N HA 0.484 5.238 4.740 0.025 0.000 0.248 55 N C 0.659 176.292 175.510 0.206 0.000 1.271 55 N CA 1.013 54.149 53.050 0.143 0.000 0.913 55 N CB 1.227 39.734 38.487 0.034 0.000 1.129 55 N HN 0.276 nan 8.380 nan 0.000 0.444 56 G N 0.169 109.107 108.800 0.230 0.000 2.247 56 G HA2 -0.092 3.883 3.960 0.025 0.000 0.229 56 G HA3 -0.092 3.883 3.960 0.025 0.000 0.229 56 G C -1.515 173.593 174.900 0.346 0.000 1.345 56 G CA -0.802 44.428 45.100 0.217 0.000 1.100 56 G HN 0.473 nan 8.290 nan 0.000 0.473 57 E N 0.177 120.553 120.200 0.293 0.000 2.223 57 E HA 0.428 4.793 4.350 0.025 0.000 0.282 57 E C -0.856 176.015 176.600 0.452 0.000 1.046 57 E CA -0.025 56.563 56.400 0.313 0.000 0.857 57 E CB 0.845 30.649 29.700 0.174 0.000 1.055 57 E HN 0.348 nan 8.360 nan 0.000 0.409 58 W N 1.736 123.129 121.300 0.155 0.000 2.958 58 W HA 0.401 5.075 4.660 0.025 0.000 0.339 58 W C 0.231 176.882 176.519 0.220 0.000 1.174 58 W CA -0.729 56.737 57.345 0.202 0.000 1.064 58 W CB 0.721 30.356 29.460 0.292 0.000 1.471 58 W HN 0.203 nan 8.180 nan 0.000 0.599 59 R N 1.241 122.031 120.500 0.483 0.000 2.540 59 R HA 0.632 4.986 4.340 0.025 0.000 0.287 59 R C -1.480 175.087 176.300 0.445 0.000 0.980 59 R CA -0.855 55.467 56.100 0.369 0.000 0.966 59 R CB 1.409 31.863 30.300 0.256 0.000 1.106 59 R HN 0.464 nan 8.270 nan 0.000 0.480 60 F N 0.068 120.071 119.950 0.088 0.000 2.608 60 F HA 0.609 5.150 4.527 0.025 0.000 0.309 60 F C -1.660 173.988 175.800 -0.254 0.000 1.103 60 F CA -0.584 57.321 58.000 -0.159 0.000 0.954 60 F CB 2.017 40.817 39.000 -0.333 0.000 1.267 60 F HN 0.632 nan 8.300 nan 0.000 0.444 61 A N 4.192 126.215 122.820 -1.328 0.000 2.455 61 A HA 0.572 4.907 4.320 0.025 0.000 0.300 61 A C -2.397 174.194 177.584 -1.656 0.000 1.040 61 A CA -0.528 50.826 52.037 -1.138 0.000 0.697 61 A CB 0.737 19.347 19.000 -0.651 0.000 1.265 61 A HN 0.955 nan 8.150 nan 0.000 0.407 62 W N 2.691 123.107 121.300 -1.474 0.000 2.438 62 W HA 0.744 5.419 4.660 0.025 0.000 0.324 62 W C -1.731 174.095 176.519 -1.154 0.000 1.119 62 W CA -0.325 56.303 57.345 -1.195 0.000 1.221 62 W CB 0.907 29.968 29.460 -0.665 0.000 1.253 62 W HN 0.495 nan 8.180 nan 0.000 0.555 63 F N 5.867 125.102 119.950 -1.191 0.000 2.588 63 F HA 0.375 4.917 4.527 0.025 0.000 0.314 63 F C -1.280 173.594 175.800 -1.544 0.000 1.069 63 F CA -2.200 55.214 58.000 -0.976 0.000 0.931 63 F CB 1.935 40.531 39.000 -0.672 0.000 1.260 63 F HN 0.214 nan 8.300 nan 0.000 0.465 64 P HA 0.148 nan 4.420 nan 0.000 0.236 64 P C -0.450 176.717 177.300 -0.221 0.000 1.177 64 P CA 0.731 63.538 63.100 -0.489 0.000 0.773 64 P CB 0.687 32.395 31.700 0.014 0.000 0.878 65 A N -0.311 122.386 122.820 -0.204 0.000 2.599 65 A HA 0.505 4.840 4.320 0.025 0.000 0.294 65 A C -2.436 175.044 177.584 -0.174 0.000 1.055 65 A CA -0.966 51.004 52.037 -0.110 0.000 0.683 65 A CB 0.447 19.448 19.000 0.002 0.000 1.278 65 A HN -0.296 nan 8.150 nan 0.000 0.412 66 P HA -0.122 nan 4.420 nan 0.000 0.218 66 P C 0.684 177.889 177.300 -0.158 0.000 1.149 66 P CA 1.463 64.430 63.100 -0.221 0.000 0.817 66 P CB 0.247 31.787 31.700 -0.267 0.000 0.785 67 E N 0.039 120.207 120.200 -0.053 0.000 2.401 67 E HA -0.037 4.328 4.350 0.025 0.000 0.199 67 E C 1.866 178.390 176.600 -0.127 0.000 1.023 67 E CA 1.034 57.407 56.400 -0.045 0.000 0.859 67 E CB -0.813 28.894 29.700 0.013 0.000 0.780 67 E HN 0.266 nan 8.360 nan 0.000 0.523 68 A N 0.130 122.831 122.820 -0.198 0.000 2.308 68 A HA 0.158 4.493 4.320 0.025 0.000 0.217 68 A C 0.506 177.771 177.584 -0.532 0.000 1.216 68 A CA -0.268 51.638 52.037 -0.219 0.000 0.864 68 A CB 0.402 19.361 19.000 -0.068 0.000 0.902 68 A HN 0.026 nan 8.150 nan 0.000 0.499 69 V N 3.045 122.549 119.914 -0.684 0.000 2.508 69 V HA 0.194 4.328 4.120 0.025 0.000 0.281 69 V C -2.164 173.560 176.094 -0.616 0.000 1.041 69 V CA -1.340 60.310 62.300 -1.082 0.000 1.016 69 V CB 0.733 31.993 31.823 -0.938 0.000 0.984 69 V HN 0.316 nan 8.190 nan 0.000 0.478 70 P HA 0.242 nan 4.420 nan 0.000 0.276 70 P C 0.313 177.537 177.300 -0.126 0.000 1.230 70 P CA -0.342 62.624 63.100 -0.223 0.000 0.776 70 P CB 1.107 32.736 31.700 -0.118 0.000 0.888 71 E N 1.212 121.355 120.200 -0.095 0.000 2.204 71 E HA -0.159 4.206 4.350 0.025 0.000 0.195 71 E C 1.863 178.425 176.600 -0.062 0.000 0.990 71 E CA 1.547 57.896 56.400 -0.084 0.000 0.821 71 E CB -0.612 29.044 29.700 -0.075 0.000 0.750 71 E HN 0.535 nan 8.360 nan 0.000 0.477 72 S N -0.583 115.101 115.700 -0.026 0.000 2.400 72 S HA -0.230 4.255 4.470 0.025 0.000 0.232 72 S C 1.879 176.478 174.600 -0.001 0.000 1.025 72 S CA 0.935 59.127 58.200 -0.014 0.000 0.993 72 S CB -0.906 62.299 63.200 0.008 0.000 0.808 72 S HN 0.568 nan 8.310 nan 0.000 0.478 73 W N 2.511 123.706 121.300 -0.175 0.000 2.341 73 W HA -0.042 4.632 4.660 0.024 0.000 0.283 73 W C 1.590 177.988 176.519 -0.203 0.000 1.215 73 W CA 1.140 58.379 57.345 -0.176 0.000 1.211 73 W CB -0.364 28.972 29.460 -0.207 0.000 1.131 73 W HN 0.285 nan 8.180 nan 0.000 0.552 74 L N -0.018 120.949 121.223 -0.427 0.000 2.131 74 L HA -0.166 4.189 4.340 0.025 0.000 0.210 74 L C 2.311 178.939 176.870 -0.404 0.000 1.092 74 L CA 1.541 56.003 54.840 -0.630 0.000 0.759 74 L CB -0.676 41.041 42.059 -0.568 0.000 0.903 74 L HN 0.052 nan 8.230 nan 0.000 0.435 75 E N -1.765 118.281 120.200 -0.257 0.000 2.372 75 E HA 0.119 4.484 4.350 0.025 0.000 0.201 75 E C 0.054 176.572 176.600 -0.138 0.000 0.938 75 E CA 0.068 56.372 56.400 -0.161 0.000 0.944 75 E CB 0.887 30.530 29.700 -0.094 0.000 0.937 75 E HN 0.394 nan 8.360 nan 0.000 0.495 76 C N 0.751 119.975 119.300 -0.126 0.000 2.797 76 C HA 0.304 4.779 4.460 0.025 0.000 0.306 76 C C -0.239 174.731 174.990 -0.034 0.000 1.207 76 C CA -1.449 57.527 59.018 -0.070 0.000 1.507 76 C CB 1.478 29.203 27.740 -0.025 0.000 2.028 76 C HN 0.261 nan 8.230 nan 0.000 0.475 77 D N 0.898 121.296 120.400 -0.003 0.000 2.472 77 D HA 0.259 4.914 4.640 0.025 0.000 0.237 77 D C -0.545 175.823 176.300 0.114 0.000 1.141 77 D CA 0.275 54.316 54.000 0.068 0.000 0.875 77 D CB 0.551 41.383 40.800 0.054 0.000 1.192 77 D HN 0.389 nan 8.370 nan 0.000 0.450 78 L N 5.900 127.240 121.223 0.195 0.000 2.319 78 L HA 0.266 4.621 4.340 0.025 0.000 0.280 78 L C -1.129 175.800 176.870 0.098 0.000 1.099 78 L CA -1.379 53.555 54.840 0.156 0.000 0.828 78 L CB 1.167 43.334 42.059 0.180 0.000 1.150 78 L HN 0.516 nan 8.230 nan 0.000 0.442 79 P HA -0.158 nan 4.420 nan 0.000 0.220 79 P C 0.592 177.918 177.300 0.044 0.000 1.148 79 P CA 1.095 64.226 63.100 0.052 0.000 0.803 79 P CB 0.210 31.934 31.700 0.040 0.000 0.782 80 E N -0.137 120.085 120.200 0.037 0.000 2.502 80 E HA 0.231 4.596 4.350 0.025 0.000 0.194 80 E C 1.026 177.632 176.600 0.010 0.000 1.062 80 E CA -0.018 56.392 56.400 0.017 0.000 0.867 80 E CB -0.871 28.826 29.700 -0.004 0.000 0.888 80 E HN 0.210 nan 8.360 nan 0.000 0.510 81 A N 1.138 123.973 122.820 0.026 0.000 2.406 81 A HA 0.192 4.526 4.320 0.025 0.000 0.243 81 A C -0.037 177.596 177.584 0.081 0.000 1.082 81 A CA -0.322 51.730 52.037 0.025 0.000 0.786 81 A CB 0.319 19.361 19.000 0.070 0.000 1.029 81 A HN -0.019 nan 8.150 nan 0.000 0.495 82 D N -0.221 120.258 120.400 0.133 0.000 2.385 82 D HA 0.510 5.164 4.640 0.025 0.000 0.254 82 D C -0.501 175.914 176.300 0.192 0.000 1.053 82 D CA 0.085 54.188 54.000 0.171 0.000 0.992 82 D CB 1.283 42.242 40.800 0.265 0.000 1.145 82 D HN 0.401 nan 8.370 nan 0.000 0.523 83 T N 0.493 115.144 114.554 0.160 0.000 2.749 83 T HA 0.509 4.874 4.350 0.025 0.000 0.287 83 T C 0.100 174.894 174.700 0.157 0.000 0.970 83 T CA -0.582 61.621 62.100 0.171 0.000 0.980 83 T CB 0.693 69.637 68.868 0.126 0.000 0.924 83 T HN 0.265 nan 8.240 nan 0.000 0.456 84 V N 1.199 121.238 119.914 0.209 0.000 3.102 84 V HA 0.809 4.944 4.120 0.025 0.000 0.312 84 V C -0.370 175.848 176.094 0.207 0.000 1.135 84 V CA -1.031 61.352 62.300 0.138 0.000 1.022 84 V CB 1.717 33.639 31.823 0.164 0.000 1.056 84 V HN 0.508 nan 8.190 nan 0.000 0.436 85 V N 1.925 121.938 119.914 0.164 0.000 2.546 85 V HA 0.530 4.665 4.120 0.025 0.000 0.284 85 V C -0.035 176.148 176.094 0.148 0.000 1.050 85 V CA -0.067 62.331 62.300 0.165 0.000 0.981 85 V CB 1.475 33.368 31.823 0.117 0.000 0.990 85 V HN 0.760 nan 8.190 nan 0.000 0.474 86 V N 7.219 127.132 119.914 -0.001 0.000 2.588 86 V HA 0.451 4.586 4.120 0.025 0.000 0.304 86 V C -2.287 173.692 176.094 -0.191 0.000 1.042 86 V CA -1.745 60.404 62.300 -0.252 0.000 0.877 86 V CB 2.349 33.634 31.823 -0.897 0.000 0.996 86 V HN 0.754 nan 8.190 nan 0.000 0.425 87 P HA 0.405 nan 4.420 nan 0.000 0.274 87 P C -0.745 176.486 177.300 -0.114 0.000 1.231 87 P CA -0.056 62.919 63.100 -0.208 0.000 0.790 87 P CB 1.262 32.850 31.700 -0.187 0.000 0.951 88 S N 0.504 116.146 115.700 -0.098 0.000 2.611 88 S HA 0.438 4.923 4.470 0.025 0.000 0.268 88 S C -1.189 173.347 174.600 -0.106 0.000 1.156 88 S CA -1.027 57.104 58.200 -0.117 0.000 0.817 88 S CB 0.641 63.722 63.200 -0.197 0.000 1.122 88 S HN 0.345 nan 8.310 nan 0.000 0.466 89 N N 0.895 119.467 118.700 -0.212 0.000 2.408 89 N HA 0.438 5.193 4.740 0.025 0.000 0.280 89 N C 0.431 175.770 175.510 -0.286 0.000 1.002 89 N CA -0.851 52.042 53.050 -0.262 0.000 0.907 89 N CB 0.740 39.037 38.487 -0.316 0.000 1.161 89 N HN 0.868 nan 8.380 nan 0.000 0.488 90 W N 2.366 123.532 121.300 -0.223 0.000 2.421 90 W HA -0.042 4.633 4.660 0.025 0.000 0.270 90 W C 0.941 177.422 176.519 -0.065 0.000 1.233 90 W CA 0.645 57.849 57.345 -0.236 0.000 1.226 90 W CB -0.358 28.927 29.460 -0.293 0.000 1.121 90 W HN 0.505 nan 8.180 nan 0.000 0.579 91 Q N 0.561 120.327 119.800 -0.057 0.000 2.170 91 Q HA -0.114 4.241 4.340 0.025 0.000 0.203 91 Q C 2.172 178.105 176.000 -0.112 0.000 0.976 91 Q CA 1.856 57.621 55.803 -0.062 0.000 0.858 91 Q CB -0.585 28.000 28.738 -0.255 0.000 0.907 91 Q HN 0.275 nan 8.270 nan 0.000 0.433 92 M N -0.845 118.644 119.600 -0.185 0.000 2.557 92 M HA -0.043 4.451 4.480 0.025 0.000 0.259 92 M C 0.675 176.993 176.300 0.031 0.000 1.086 92 M CA 1.339 56.547 55.300 -0.154 0.000 1.096 92 M CB -0.535 31.954 32.600 -0.186 0.000 1.424 92 M HN 0.382 nan 8.290 nan 0.000 0.488 93 H N -0.807 118.275 119.070 0.021 0.000 2.586 93 H HA 0.280 4.851 4.556 0.025 0.000 0.273 93 H C 1.219 176.421 175.328 -0.211 0.000 0.997 93 H CA 0.112 56.150 56.048 -0.016 0.000 1.177 93 H CB 0.458 30.310 29.762 0.150 0.000 1.471 93 H HN 0.555 nan 8.280 nan 0.000 0.538 94 G N 0.593 109.381 108.800 -0.020 0.000 2.141 94 G HA2 -0.357 3.617 3.960 0.025 0.000 0.242 94 G HA3 -0.357 3.617 3.960 0.025 0.000 0.242 94 G C 0.360 175.128 174.900 -0.220 0.000 0.982 94 G CA 0.271 45.296 45.100 -0.124 0.000 0.662 94 G HN 0.481 nan 8.290 nan 0.000 0.527 95 Y N 1.494 121.801 120.300 0.012 0.000 2.352 95 Y HA 0.251 4.816 4.550 0.025 0.000 0.292 95 Y C 1.633 177.296 175.900 -0.395 0.000 1.136 95 Y CA 1.580 59.572 58.100 -0.180 0.000 1.227 95 Y CB 0.232 38.651 38.460 -0.068 0.000 0.991 95 Y HN 0.660 nan 8.280 nan 0.000 0.545 96 D N -1.998 118.455 120.400 0.088 0.000 2.692 96 D HA 0.478 5.133 4.640 0.025 0.000 0.290 96 D C -1.262 175.111 176.300 0.120 0.000 1.281 96 D CA -0.835 53.215 54.000 0.083 0.000 0.804 96 D CB 0.734 41.694 40.800 0.268 0.000 1.331 96 D HN -0.057 nan 8.370 nan 0.000 0.432 97 A N 0.165 123.064 122.820 0.132 0.000 2.310 97 A HA 0.711 5.046 4.320 0.025 0.000 0.299 97 A C -2.337 175.280 177.584 0.055 0.000 1.147 97 A CA -1.191 50.905 52.037 0.098 0.000 0.818 97 A CB 0.151 19.282 19.000 0.218 0.000 1.096 97 A HN 0.542 nan 8.150 nan 0.000 0.495 98 P HA 0.437 nan 4.420 nan 0.000 0.278 98 P C -0.893 176.592 177.300 0.308 0.000 1.238 98 P CA 0.029 63.093 63.100 -0.059 0.000 0.794 98 P CB 0.809 32.215 31.700 -0.491 0.000 0.955 99 I N 2.484 123.316 120.570 0.437 0.000 2.404 99 I HA 0.253 4.437 4.170 0.025 0.000 0.293 99 I C -0.456 175.840 176.117 0.297 0.000 0.992 99 I CA -0.965 60.576 61.300 0.403 0.000 1.149 99 I CB 1.426 39.595 38.000 0.281 0.000 1.315 99 I HN 0.297 nan 8.210 nan 0.000 0.446 100 Y N 6.263 126.472 120.300 -0.151 0.000 2.491 100 Y HA 0.502 5.066 4.550 0.024 0.000 0.334 100 Y C -0.332 175.391 175.900 -0.296 0.000 0.969 100 Y CA -0.586 57.131 58.100 -0.638 0.000 1.241 100 Y CB 1.114 38.680 38.460 -1.490 0.000 1.105 100 Y HN 0.532 nan 8.280 nan 0.000 0.503 101 T N 5.080 119.129 114.554 -0.841 0.000 2.876 101 T HA 0.270 4.635 4.350 0.025 0.000 0.289 101 T C 0.185 174.402 174.700 -0.804 0.000 1.014 101 T CA -0.562 61.078 62.100 -0.768 0.000 0.986 101 T CB 1.137 69.782 68.868 -0.373 0.000 1.021 101 T HN 0.767 nan 8.240 nan 0.000 0.458 102 N N 2.795 121.062 118.700 -0.723 0.000 2.335 102 N HA 0.070 4.824 4.740 0.025 0.000 0.197 102 N C 1.521 176.739 175.510 -0.488 0.000 1.045 102 N CA 1.420 54.160 53.050 -0.517 0.000 0.928 102 N CB -0.570 37.633 38.487 -0.474 0.000 1.118 102 N HN 0.387 nan 8.380 nan 0.000 0.471 103 V N 0.391 119.956 119.914 -0.582 0.000 2.492 103 V HA 0.127 4.262 4.120 0.025 0.000 0.241 103 V C 0.336 176.105 176.094 -0.540 0.000 1.041 103 V CA 0.826 62.697 62.300 -0.714 0.000 1.057 103 V CB -0.672 30.629 31.823 -0.871 0.000 0.711 103 V HN 0.312 nan 8.190 nan 0.000 0.468 104 T N 1.358 115.665 114.554 -0.412 0.000 2.831 104 T HA 0.077 4.442 4.350 0.025 0.000 0.291 104 T C -0.303 174.255 174.700 -0.236 0.000 0.981 104 T CA 0.341 62.281 62.100 -0.266 0.000 1.174 104 T CB -0.390 68.353 68.868 -0.208 0.000 0.929 104 T HN 0.187 nan 8.240 nan 0.000 0.532 105 Y N 5.101 125.295 120.300 -0.175 0.000 2.683 105 Y HA 0.085 4.649 4.550 0.024 0.000 0.340 105 Y C -0.768 174.997 175.900 -0.224 0.000 1.245 105 Y CA -1.521 56.465 58.100 -0.189 0.000 1.485 105 Y CB 0.497 38.842 38.460 -0.192 0.000 1.328 105 Y HN 0.516 nan 8.280 nan 0.000 0.603 106 P HA 0.028 nan 4.420 nan 0.000 0.249 106 P C -0.410 176.662 177.300 -0.380 0.000 1.229 106 P CA 0.952 63.938 63.100 -0.190 0.000 0.788 106 P CB 0.025 31.654 31.700 -0.119 0.000 1.072 107 I N -5.008 115.312 120.570 -0.417 0.000 3.002 107 I HA 0.506 4.691 4.170 0.025 0.000 0.310 107 I C -0.493 175.487 176.117 -0.228 0.000 1.087 107 I CA -1.228 59.797 61.300 -0.458 0.000 1.017 107 I CB 1.653 39.222 38.000 -0.718 0.000 1.226 107 I HN -0.454 nan 8.210 nan 0.000 0.443 108 T N 2.661 117.127 114.554 -0.146 0.000 2.940 108 T HA 0.155 4.520 4.350 0.025 0.000 0.309 108 T C 0.174 174.852 174.700 -0.036 0.000 1.056 108 T CA -0.240 61.824 62.100 -0.060 0.000 1.137 108 T CB 0.696 69.553 68.868 -0.019 0.000 0.976 108 T HN 0.382 nan 8.240 nan 0.000 0.547 109 V N 4.611 124.519 119.914 -0.009 0.000 2.370 109 V HA 0.252 4.387 4.120 0.025 0.000 0.257 109 V C 0.636 176.774 176.094 0.073 0.000 1.064 109 V CA -0.262 62.055 62.300 0.029 0.000 0.975 109 V CB -0.056 31.764 31.823 -0.005 0.000 1.067 109 V HN 0.870 nan 8.190 nan 0.000 0.485 110 N N 6.262 125.064 118.700 0.169 0.000 2.666 110 N HA 0.259 5.013 4.740 0.025 0.000 0.253 110 N C -2.875 172.706 175.510 0.117 0.000 1.621 110 N CA -1.261 51.876 53.050 0.146 0.000 0.785 110 N CB 1.535 40.138 38.487 0.193 0.000 1.332 110 N HN 0.293 nan 8.380 nan 0.000 0.514 111 P HA 0.228 nan 4.420 nan 0.000 0.268 111 P C -2.258 174.843 177.300 -0.333 0.000 1.205 111 P CA -0.734 61.956 63.100 -0.682 0.000 0.771 111 P CB 0.827 31.900 31.700 -1.044 0.000 0.858 112 P HA 0.229 nan 4.420 nan 0.000 0.266 112 P C -0.324 176.830 177.300 -0.245 0.000 1.561 112 P CA -0.310 62.568 63.100 -0.371 0.000 1.089 112 P CB 0.042 31.516 31.700 -0.377 0.000 1.534 113 F N 1.078 121.123 119.950 0.160 0.000 2.380 113 F HA 0.294 4.836 4.527 0.025 0.000 0.325 113 F C 1.408 177.381 175.800 0.289 0.000 1.136 113 F CA -0.553 57.559 58.000 0.186 0.000 1.171 113 F CB 0.749 39.807 39.000 0.097 0.000 1.230 113 F HN -0.201 nan 8.300 nan 0.000 0.554 114 V N -1.210 118.980 119.914 0.460 0.000 3.155 114 V HA 0.701 4.835 4.120 0.025 0.000 0.313 114 V C -2.765 173.496 176.094 0.278 0.000 1.162 114 V CA -2.768 59.731 62.300 0.331 0.000 1.048 114 V CB 1.329 33.413 31.823 0.435 0.000 1.092 114 V HN 0.476 nan 8.190 nan 0.000 0.447 115 P HA 0.218 nan 4.420 nan 0.000 0.269 115 P C 0.936 178.380 177.300 0.241 0.000 1.215 115 P CA 0.488 63.688 63.100 0.166 0.000 0.780 115 P CB 0.474 32.241 31.700 0.112 0.000 0.898 116 T N -2.301 112.364 114.554 0.186 0.000 2.942 116 T HA -0.041 4.323 4.350 0.025 0.000 0.265 116 T C 0.572 175.385 174.700 0.189 0.000 1.062 116 T CA 0.674 62.890 62.100 0.193 0.000 1.139 116 T CB -0.456 68.491 68.868 0.133 0.000 0.883 116 T HN 0.376 nan 8.240 nan 0.000 0.468 117 E N 2.632 122.942 120.200 0.183 0.000 1.932 117 E HA 0.240 4.604 4.350 0.025 0.000 0.275 117 E C -0.758 176.005 176.600 0.272 0.000 1.159 117 E CA -0.339 56.176 56.400 0.192 0.000 0.905 117 E CB 0.158 29.973 29.700 0.191 0.000 1.059 117 E HN 0.218 nan 8.360 nan 0.000 0.400 118 N N 4.718 123.550 118.700 0.220 0.000 2.617 118 N HA 0.236 4.991 4.740 0.025 0.000 0.263 118 N C -2.873 172.675 175.510 0.063 0.000 1.074 118 N CA -2.437 50.775 53.050 0.270 0.000 0.841 118 N CB 1.156 39.798 38.487 0.259 0.000 1.221 118 N HN 0.052 nan 8.380 nan 0.000 0.529 119 P HA 0.025 nan 4.420 nan 0.000 0.260 119 P C -0.813 176.405 177.300 -0.136 0.000 1.172 119 P CA 0.509 63.566 63.100 -0.072 0.000 0.760 119 P CB 0.405 32.380 31.700 0.457 0.000 0.773 120 T N 2.820 117.019 114.554 -0.592 0.000 2.812 120 T HA 0.563 4.928 4.350 0.025 0.000 0.282 120 T C 0.231 174.405 174.700 -0.878 0.000 0.990 120 T CA -0.562 61.247 62.100 -0.486 0.000 0.960 120 T CB 1.563 70.188 68.868 -0.405 0.000 0.948 120 T HN 0.331 nan 8.240 nan 0.000 0.438 121 G N 1.030 109.348 108.800 -0.803 0.000 2.335 121 G HA2 0.475 4.450 3.960 0.025 0.000 0.314 121 G HA3 0.475 4.450 3.960 0.025 0.000 0.314 121 G C -0.284 174.342 174.900 -0.457 0.000 1.129 121 G CA -0.347 44.172 45.100 -0.969 0.000 0.912 121 G HN 0.863 nan 8.290 nan 0.000 0.443 122 C N 3.359 122.165 119.300 -0.823 0.000 2.203 122 C HA 0.466 4.941 4.460 0.025 0.000 0.325 122 C C -0.470 174.468 174.990 -0.085 0.000 1.156 122 C CA -0.877 57.827 59.018 -0.524 0.000 1.597 122 C CB -1.759 25.283 27.740 -1.162 0.000 2.148 122 C HN 0.634 nan 8.230 nan 0.000 0.472 123 Y N 1.943 122.517 120.300 0.457 0.000 2.419 123 Y HA 0.646 5.211 4.550 0.025 0.000 0.328 123 Y C 0.827 177.176 175.900 0.750 0.000 1.162 123 Y CA -0.097 58.387 58.100 0.640 0.000 1.174 123 Y CB 1.509 40.351 38.460 0.636 0.000 1.228 123 Y HN 0.666 nan 8.280 nan 0.000 0.473 124 S N 1.939 118.121 115.700 0.803 0.000 2.570 124 S HA 0.802 5.287 4.470 0.025 0.000 0.270 124 S C -1.992 172.665 174.600 0.095 0.000 1.149 124 S CA -0.827 57.608 58.200 0.393 0.000 0.837 124 S CB 2.170 65.478 63.200 0.180 0.000 1.124 124 S HN 0.584 nan 8.310 nan 0.000 0.465 125 L N 0.834 121.923 121.223 -0.223 0.000 2.493 125 L HA 0.708 5.063 4.340 0.025 0.000 0.265 125 L C -1.089 175.718 176.870 -0.105 0.000 0.954 125 L CA 0.137 54.696 54.840 -0.469 0.000 0.844 125 L CB 2.229 43.494 42.059 -1.323 0.000 1.302 125 L HN 0.916 nan 8.230 nan 0.000 0.405 126 T N 5.847 120.372 114.554 -0.049 0.000 2.767 126 T HA 0.749 5.114 4.350 0.025 0.000 0.284 126 T C -0.795 173.948 174.700 0.071 0.000 0.973 126 T CA 0.028 62.133 62.100 0.007 0.000 0.996 126 T CB 0.207 69.049 68.868 -0.044 0.000 0.927 126 T HN 0.458 nan 8.240 nan 0.000 0.456 127 F N 0.921 120.770 119.950 -0.168 0.000 2.685 127 F HA 0.726 5.268 4.527 0.025 0.000 0.315 127 F C -0.744 174.976 175.800 -0.134 0.000 1.126 127 F CA -1.589 56.314 58.000 -0.162 0.000 0.950 127 F CB 1.297 40.176 39.000 -0.202 0.000 1.360 127 F HN 0.329 nan 8.300 nan 0.000 0.469 128 N N 0.259 118.893 118.700 -0.109 0.000 2.509 128 N HA 0.618 5.373 4.740 0.025 0.000 0.287 128 N C -1.822 173.573 175.510 -0.190 0.000 1.121 128 N CA -0.396 52.532 53.050 -0.204 0.000 0.977 128 N CB 1.853 40.273 38.487 -0.111 0.000 1.167 128 N HN 0.639 nan 8.380 nan 0.000 0.476 129 V N 2.469 122.243 119.914 -0.235 0.000 2.483 129 V HA 0.276 4.411 4.120 0.025 0.000 0.297 129 V C -0.749 175.250 176.094 -0.159 0.000 1.027 129 V CA -0.996 61.181 62.300 -0.205 0.000 0.855 129 V CB 1.587 33.338 31.823 -0.120 0.000 0.995 129 V HN 0.705 nan 8.190 nan 0.000 0.424 130 D N 2.924 123.198 120.400 -0.210 0.000 2.382 130 D HA 0.079 4.733 4.640 0.025 0.000 0.245 130 D C 1.043 177.369 176.300 0.043 0.000 1.120 130 D CA -0.070 53.887 54.000 -0.072 0.000 0.890 130 D CB 1.778 42.556 40.800 -0.038 0.000 1.201 130 D HN 0.695 nan 8.370 nan 0.000 0.433 131 E N 1.279 121.507 120.200 0.047 0.000 2.160 131 E HA -0.198 4.167 4.350 0.025 0.000 0.195 131 E C 1.624 178.294 176.600 0.116 0.000 0.991 131 E CA 1.467 57.911 56.400 0.074 0.000 0.810 131 E CB -0.122 29.604 29.700 0.042 0.000 0.742 131 E HN 0.419 nan 8.360 nan 0.000 0.466 132 S N -1.025 114.753 115.700 0.129 0.000 2.419 132 S HA -0.173 4.312 4.470 0.025 0.000 0.235 132 S C 1.715 176.375 174.600 0.100 0.000 1.019 132 S CA 1.032 59.297 58.200 0.108 0.000 0.982 132 S CB -0.830 62.438 63.200 0.114 0.000 0.789 132 S HN 0.409 nan 8.310 nan 0.000 0.490 133 W N 1.389 122.628 121.300 -0.102 0.000 2.584 133 W HA 0.413 5.088 4.660 0.025 0.000 0.264 133 W C 1.853 178.468 176.519 0.159 0.000 1.264 133 W CA -0.105 57.184 57.345 -0.094 0.000 1.306 133 W CB -0.299 29.184 29.460 0.039 0.000 1.110 133 W HN 0.299 nan 8.180 nan 0.000 0.606 134 L N -0.128 121.273 121.223 0.298 0.000 2.609 134 L HA 0.038 4.393 4.340 0.025 0.000 0.230 134 L C 2.451 179.411 176.870 0.150 0.000 1.087 134 L CA 0.392 55.366 54.840 0.223 0.000 0.874 134 L CB -0.634 41.522 42.059 0.162 0.000 1.114 134 L HN 0.007 nan 8.230 nan 0.000 0.488 135 Q N 1.978 121.851 119.800 0.121 0.000 2.369 135 Q HA -0.068 4.286 4.340 0.025 0.000 0.206 135 Q C 0.185 176.235 176.000 0.082 0.000 0.963 135 Q CA 0.692 56.544 55.803 0.082 0.000 0.894 135 Q CB 0.054 28.827 28.738 0.058 0.000 0.965 135 Q HN 0.665 nan 8.270 nan 0.000 0.475 136 E N -1.448 118.822 120.200 0.116 0.000 2.430 136 E HA 0.558 4.923 4.350 0.025 0.000 0.279 136 E C -0.230 176.485 176.600 0.192 0.000 1.003 136 E CA -0.841 55.625 56.400 0.110 0.000 0.801 136 E CB 1.188 30.936 29.700 0.079 0.000 1.313 136 E HN 0.149 nan 8.360 nan 0.000 0.459 137 G N 0.599 109.452 108.800 0.089 0.000 2.752 137 G HA2 -0.275 3.700 3.960 0.025 0.000 0.234 137 G HA3 -0.275 3.700 3.960 0.025 0.000 0.234 137 G C -0.778 174.041 174.900 -0.136 0.000 1.367 137 G CA 0.144 45.207 45.100 -0.061 0.000 0.879 137 G HN 0.752 nan 8.290 nan 0.000 0.563 138 Q N -0.608 118.956 119.800 -0.394 0.000 2.340 138 Q HA 0.628 4.983 4.340 0.025 0.000 0.268 138 Q C -0.877 174.969 176.000 -0.256 0.000 1.031 138 Q CA -0.490 55.185 55.803 -0.214 0.000 0.804 138 Q CB 1.474 30.113 28.738 -0.165 0.000 1.286 138 Q HN 0.605 nan 8.270 nan 0.000 0.448 139 T N 4.965 119.538 114.554 0.032 0.000 2.756 139 T HA 0.457 4.821 4.350 0.025 0.000 0.290 139 T C -0.599 174.221 174.700 0.199 0.000 0.985 139 T CA -0.606 61.622 62.100 0.214 0.000 0.955 139 T CB 0.457 69.598 68.868 0.454 0.000 0.930 139 T HN 0.622 nan 8.240 nan 0.000 0.451 140 R N 2.909 123.515 120.500 0.176 0.000 2.873 140 R HA 0.800 5.155 4.340 0.025 0.000 0.264 140 R C -0.996 175.405 176.300 0.168 0.000 1.026 140 R CA -1.006 55.193 56.100 0.165 0.000 1.002 140 R CB 1.521 31.890 30.300 0.114 0.000 1.174 140 R HN 0.545 nan 8.270 nan 0.000 0.488 141 I N 1.744 122.412 120.570 0.163 0.000 2.562 141 I HA 0.472 4.656 4.170 0.025 0.000 0.301 141 I C -1.136 175.023 176.117 0.071 0.000 1.003 141 I CA -1.358 59.982 61.300 0.065 0.000 1.127 141 I CB 1.545 39.574 38.000 0.048 0.000 1.304 141 I HN 0.611 nan 8.210 nan 0.000 0.446 142 I N 6.973 127.483 120.570 -0.098 0.000 2.447 142 I HA 0.290 4.475 4.170 0.025 0.000 0.287 142 I C -1.339 174.632 176.117 -0.243 0.000 1.023 142 I CA -0.383 60.879 61.300 -0.062 0.000 1.083 142 I CB 1.608 39.580 38.000 -0.047 0.000 1.245 142 I HN 0.387 nan 8.210 nan 0.000 0.434 143 F N 4.518 124.457 119.950 -0.018 0.000 2.308 143 F HA 0.267 4.809 4.527 0.024 0.000 0.370 143 F C 1.307 176.998 175.800 -0.182 0.000 1.100 143 F CA -0.457 57.461 58.000 -0.136 0.000 1.108 143 F CB 0.718 39.604 39.000 -0.190 0.000 1.293 143 F HN 0.453 nan 8.300 nan 0.000 0.478 144 D N 2.363 122.676 120.400 -0.144 0.000 2.310 144 D HA 0.040 4.695 4.640 0.025 0.000 0.212 144 D C 0.997 177.129 176.300 -0.280 0.000 0.965 144 D CA 0.856 54.727 54.000 -0.214 0.000 0.879 144 D CB 0.390 40.996 40.800 -0.322 0.000 0.921 144 D HN 0.627 nan 8.370 nan 0.000 0.510 145 G N -0.377 108.204 108.800 -0.364 0.000 2.505 145 G HA2 0.419 4.394 3.960 0.025 0.000 0.292 145 G HA3 0.419 4.394 3.960 0.025 0.000 0.292 145 G C -1.438 173.226 174.900 -0.394 0.000 1.332 145 G CA -0.434 44.342 45.100 -0.542 0.000 1.286 145 G HN -0.057 nan 8.290 nan 0.000 0.606 146 V N 2.659 122.541 119.914 -0.052 0.000 2.482 146 V HA 0.514 4.648 4.120 0.025 0.000 0.295 146 V C -0.749 175.437 176.094 0.154 0.000 1.026 146 V CA -1.167 61.108 62.300 -0.042 0.000 0.856 146 V CB 1.837 33.402 31.823 -0.430 0.000 1.001 146 V HN 0.696 nan 8.190 nan 0.000 0.424 147 N N 2.713 121.496 118.700 0.139 0.000 2.446 147 N HA 0.332 5.087 4.740 0.025 0.000 0.265 147 N C 0.572 176.022 175.510 -0.099 0.000 0.975 147 N CA 0.147 53.188 53.050 -0.014 0.000 0.928 147 N CB 2.150 40.472 38.487 -0.273 0.000 1.160 147 N HN 0.667 nan 8.380 nan 0.000 0.495 148 S N 1.879 117.560 115.700 -0.031 0.000 2.559 148 S HA 0.585 5.069 4.470 0.025 0.000 0.226 148 S C 0.265 174.930 174.600 0.108 0.000 1.030 148 S CA 0.036 58.263 58.200 0.045 0.000 0.956 148 S CB 0.353 63.591 63.200 0.062 0.000 0.900 148 S HN 0.656 nan 8.310 nan 0.000 0.510 149 A N 0.924 123.822 122.820 0.130 0.000 2.604 149 A HA 0.770 5.105 4.320 0.025 0.000 0.295 149 A C -1.335 176.358 177.584 0.181 0.000 1.067 149 A CA -0.987 51.093 52.037 0.071 0.000 0.683 149 A CB 0.867 19.929 19.000 0.104 0.000 1.281 149 A HN 1.068 nan 8.150 nan 0.000 0.407 150 F N -0.476 119.309 119.950 -0.275 0.000 2.678 150 F HA 0.728 5.270 4.527 0.024 0.000 0.308 150 F C -0.990 174.717 175.800 -0.155 0.000 1.118 150 F CA -0.812 57.115 58.000 -0.121 0.000 0.959 150 F CB 1.161 40.072 39.000 -0.148 0.000 1.305 150 F HN 0.625 nan 8.300 nan 0.000 0.443 151 H N 1.976 121.206 119.070 0.266 0.000 2.479 151 H HA 0.690 5.261 4.556 0.025 0.000 0.335 151 H C -1.371 173.935 175.328 -0.036 0.000 1.142 151 H CA -0.677 55.398 56.048 0.045 0.000 1.234 151 H CB 2.485 32.235 29.762 -0.020 0.000 1.503 151 H HN 0.741 nan 8.280 nan 0.000 0.510 152 L N 3.089 124.097 121.223 -0.359 0.000 2.385 152 L HA 0.378 4.733 4.340 0.025 0.000 0.273 152 L C -1.589 174.968 176.870 -0.522 0.000 0.990 152 L CA -0.539 54.150 54.840 -0.251 0.000 0.821 152 L CB 1.362 43.124 42.059 -0.496 0.000 1.279 152 L HN 0.523 nan 8.230 nan 0.000 0.412 153 W N 4.248 125.504 121.300 -0.073 0.000 2.781 153 W HA 0.617 5.292 4.660 0.025 0.000 0.345 153 W C -1.072 175.374 176.519 -0.122 0.000 1.085 153 W CA -0.811 56.472 57.345 -0.102 0.000 1.198 153 W CB 2.076 31.519 29.460 -0.029 0.000 1.423 153 W HN 0.587 nan 8.180 nan 0.000 0.532 154 C N 4.506 123.866 119.300 0.100 0.000 2.432 154 C HA 0.281 4.756 4.460 0.025 0.000 0.334 154 C C 0.151 175.251 174.990 0.183 0.000 1.155 154 C CA -0.389 58.688 59.018 0.099 0.000 1.335 154 C CB -0.725 27.014 27.740 -0.003 0.000 1.964 154 C HN 0.803 nan 8.230 nan 0.000 0.444 155 N N 3.650 122.418 118.700 0.114 0.000 2.740 155 N HA -0.185 4.570 4.740 0.025 0.000 0.248 155 N C 0.969 176.538 175.510 0.097 0.000 1.062 155 N CA 2.030 55.126 53.050 0.076 0.000 0.704 155 N CB -1.299 37.241 38.487 0.087 0.000 0.968 155 N HN 1.837 nan 8.380 nan 0.000 0.547 156 G N -1.219 107.631 108.800 0.083 0.000 2.234 156 G HA2 -0.366 3.608 3.960 0.025 0.000 0.260 156 G HA3 -0.366 3.608 3.960 0.025 0.000 0.260 156 G C 0.141 175.202 174.900 0.268 0.000 0.987 156 G CA 0.628 45.778 45.100 0.082 0.000 0.625 156 G HN 0.554 nan 8.290 nan 0.000 0.532 157 R N -0.882 119.840 120.500 0.370 0.000 2.393 157 R HA 0.443 4.798 4.340 0.025 0.000 0.310 157 R C -0.272 176.318 176.300 0.485 0.000 0.968 157 R CA -0.879 55.508 56.100 0.479 0.000 0.867 157 R CB 1.102 31.706 30.300 0.506 0.000 1.124 157 R HN 0.229 nan 8.270 nan 0.000 0.450 158 W N 3.752 125.196 121.300 0.241 0.000 2.251 158 W HA 0.079 4.754 4.660 0.024 0.000 0.327 158 W C 0.052 176.436 176.519 -0.225 0.000 1.361 158 W CA 0.057 57.229 57.345 -0.289 0.000 1.234 158 W CB 0.691 29.969 29.460 -0.304 0.000 1.212 158 W HN 0.336 nan 8.180 nan 0.000 0.557 159 V N 5.346 124.448 119.914 -1.354 0.000 2.743 159 V HA 0.529 4.663 4.120 0.025 0.000 0.237 159 V C 1.059 176.077 176.094 -1.793 0.000 1.113 159 V CA 1.032 62.513 62.300 -1.366 0.000 1.141 159 V CB -0.342 30.740 31.823 -1.235 0.000 0.873 159 V HN 0.827 nan 8.190 nan 0.000 0.486 160 G N -1.714 105.795 108.800 -2.152 0.000 2.427 160 G HA2 0.473 4.448 3.960 0.025 0.000 0.306 160 G HA3 0.473 4.448 3.960 0.025 0.000 0.306 160 G C -2.396 172.043 174.900 -0.768 0.000 1.280 160 G CA -0.174 44.078 45.100 -1.413 0.000 0.837 160 G HN 0.045 nan 8.290 nan 0.000 0.482 161 Y N -0.626 119.396 120.300 -0.464 0.000 2.581 161 Y HA 0.690 5.255 4.550 0.024 0.000 0.337 161 Y C -0.203 175.467 175.900 -0.383 0.000 1.108 161 Y CA -0.056 57.722 58.100 -0.537 0.000 1.033 161 Y CB 2.058 40.352 38.460 -0.277 0.000 1.318 161 Y HN 1.333 nan 8.280 nan 0.000 0.459 162 G N 3.494 111.440 108.800 -1.423 0.000 2.718 162 G HA2 0.588 4.563 3.960 0.025 0.000 0.295 162 G HA3 0.588 4.563 3.960 0.025 0.000 0.295 162 G C -2.141 172.277 174.900 -0.805 0.000 1.421 162 G CA -0.899 43.684 45.100 -0.861 0.000 0.902 162 G HN 0.639 nan 8.290 nan 0.000 0.501 163 Q N -0.326 119.260 119.800 -0.357 0.000 2.633 163 Q HA 0.613 4.967 4.340 0.025 0.000 0.292 163 Q C -1.363 174.632 176.000 -0.009 0.000 1.089 163 Q CA -0.837 54.887 55.803 -0.131 0.000 0.811 163 Q CB 2.598 31.318 28.738 -0.031 0.000 1.472 163 Q HN 0.638 nan 8.270 nan 0.000 0.464 164 D N -0.287 120.148 120.400 0.058 0.000 4.303 164 D HA -0.095 4.560 4.640 0.025 0.000 0.230 164 D C -0.575 175.788 176.300 0.106 0.000 1.172 164 D CA 0.401 54.452 54.000 0.084 0.000 1.001 164 D CB -0.650 40.182 40.800 0.054 0.000 0.641 164 D HN 0.528 nan 8.370 nan 0.000 0.296 165 S N 3.275 119.053 115.700 0.130 0.000 2.547 165 S HA -0.053 4.432 4.470 0.025 0.000 0.235 165 S C 1.549 176.283 174.600 0.223 0.000 0.980 165 S CA 0.507 58.814 58.200 0.178 0.000 0.941 165 S CB 0.247 63.521 63.200 0.124 0.000 0.763 165 S HN 0.467 nan 8.310 nan 0.000 0.532 166 R N 0.057 120.646 120.500 0.148 0.000 2.508 166 R HA 0.430 4.785 4.340 0.025 0.000 0.300 166 R C -0.313 176.043 176.300 0.094 0.000 0.970 166 R CA 0.059 56.244 56.100 0.142 0.000 1.102 166 R CB 0.248 30.650 30.300 0.170 0.000 1.246 166 R HN 0.322 nan 8.270 nan 0.000 0.539 167 L N 1.653 122.904 121.223 0.047 0.000 2.350 167 L HA 0.517 4.872 4.340 0.025 0.000 0.260 167 L C -2.396 174.451 176.870 -0.038 0.000 1.015 167 L CA -2.292 52.546 54.840 -0.002 0.000 0.821 167 L CB 2.949 45.001 42.059 -0.013 0.000 1.370 167 L HN -0.212 nan 8.230 nan 0.000 0.416 168 P HA 0.130 nan 4.420 nan 0.000 0.275 168 P C -1.072 176.191 177.300 -0.061 0.000 1.227 168 P CA -0.255 62.799 63.100 -0.077 0.000 0.781 168 P CB 1.165 32.784 31.700 -0.135 0.000 0.906 169 S N 1.778 117.503 115.700 0.041 0.000 2.454 169 S HA 0.360 4.845 4.470 0.025 0.000 0.306 169 S C -0.400 174.149 174.600 -0.085 0.000 1.100 169 S CA -0.600 57.578 58.200 -0.036 0.000 1.087 169 S CB 1.025 64.317 63.200 0.152 0.000 1.019 169 S HN 0.379 nan 8.310 nan 0.000 0.480 170 E N 1.676 121.605 120.200 -0.452 0.000 2.266 170 E HA 0.585 4.950 4.350 0.025 0.000 0.268 170 E C -1.518 174.663 176.600 -0.698 0.000 0.879 170 E CA -0.573 55.638 56.400 -0.315 0.000 0.762 170 E CB 1.756 31.387 29.700 -0.115 0.000 1.199 170 E HN 0.427 nan 8.360 nan 0.000 0.422 171 F N 0.587 120.596 119.950 0.098 0.000 2.569 171 F HA 0.197 4.739 4.527 0.025 0.000 0.312 171 F C -0.044 175.787 175.800 0.051 0.000 1.109 171 F CA -1.108 56.914 58.000 0.036 0.000 0.919 171 F CB 1.550 40.535 39.000 -0.025 0.000 1.211 171 F HN 0.269 nan 8.300 nan 0.000 0.446 172 D N 3.017 123.555 120.400 0.230 0.000 2.339 172 D HA 0.204 4.858 4.640 0.025 0.000 0.256 172 D C 0.343 176.797 176.300 0.258 0.000 1.214 172 D CA 0.339 54.459 54.000 0.199 0.000 0.877 172 D CB 1.009 41.905 40.800 0.161 0.000 1.111 172 D HN 0.595 nan 8.370 nan 0.000 0.478 173 L N 2.802 124.182 121.223 0.263 0.000 2.667 173 L HA 0.035 4.390 4.340 0.025 0.000 0.232 173 L C 2.164 179.271 176.870 0.396 0.000 1.138 173 L CA -0.205 54.844 54.840 0.349 0.000 0.921 173 L CB 0.084 42.298 42.059 0.260 0.000 1.180 173 L HN 0.262 nan 8.230 nan 0.000 0.487 174 S N 1.397 117.267 115.700 0.283 0.000 2.372 174 S HA -0.264 4.221 4.470 0.025 0.000 0.227 174 S C 2.024 176.716 174.600 0.153 0.000 1.044 174 S CA 1.856 60.178 58.200 0.202 0.000 1.050 174 S CB -0.138 63.141 63.200 0.130 0.000 0.901 174 S HN 0.563 nan 8.310 nan 0.000 0.447 175 A N -0.652 122.226 122.820 0.097 0.000 2.251 175 A HA 0.342 4.677 4.320 0.025 0.000 0.209 175 A C 1.308 178.742 177.584 -0.250 0.000 1.187 175 A CA 0.257 52.230 52.037 -0.106 0.000 0.823 175 A CB -0.418 18.442 19.000 -0.234 0.000 0.846 175 A HN 0.479 nan 8.150 nan 0.000 0.486 176 F N -0.656 119.333 119.950 0.065 0.000 2.678 176 F HA 0.355 4.896 4.527 0.025 0.000 0.291 176 F C 0.722 176.555 175.800 0.055 0.000 1.123 176 F CA -0.071 57.965 58.000 0.061 0.000 1.395 176 F CB 0.099 39.141 39.000 0.070 0.000 1.121 176 F HN -0.023 nan 8.300 nan 0.000 0.592 177 L N 1.236 122.605 121.223 0.243 0.000 2.421 177 L HA 0.467 4.822 4.340 0.025 0.000 0.263 177 L C 0.234 177.144 176.870 0.067 0.000 1.122 177 L CA -0.686 54.239 54.840 0.142 0.000 0.804 177 L CB 1.020 43.175 42.059 0.160 0.000 1.150 177 L HN 0.031 nan 8.230 nan 0.000 0.457 178 R N 1.246 121.750 120.500 0.006 0.000 2.795 178 R HA 0.807 5.162 4.340 0.025 0.000 0.275 178 R C -1.014 175.265 176.300 -0.036 0.000 0.981 178 R CA -0.901 55.193 56.100 -0.010 0.000 0.917 178 R CB 1.561 31.844 30.300 -0.027 0.000 1.202 178 R HN 0.558 nan 8.270 nan 0.000 0.469 179 A N 1.275 124.083 122.820 -0.020 0.000 2.498 179 A HA 0.507 4.842 4.320 0.025 0.000 0.239 179 A C 1.010 178.552 177.584 -0.071 0.000 1.068 179 A CA 1.018 53.034 52.037 -0.035 0.000 0.766 179 A CB -0.560 18.432 19.000 -0.013 0.000 1.003 179 A HN 1.361 nan 8.150 nan 0.000 0.497 180 G N 1.194 109.935 108.800 -0.098 0.000 2.475 180 G HA2 -0.091 3.884 3.960 0.025 0.000 0.223 180 G HA3 -0.091 3.884 3.960 0.025 0.000 0.223 180 G C -0.433 174.350 174.900 -0.196 0.000 1.201 180 G CA -0.115 44.914 45.100 -0.120 0.000 0.962 180 G HN 0.900 nan 8.290 nan 0.000 0.586 181 E N 2.006 122.094 120.200 -0.186 0.000 2.338 181 E HA 0.395 4.760 4.350 0.025 0.000 0.272 181 E C 0.215 176.623 176.600 -0.321 0.000 1.029 181 E CA -0.013 56.234 56.400 -0.253 0.000 0.872 181 E CB 0.679 30.277 29.700 -0.170 0.000 1.015 181 E HN 0.479 nan 8.360 nan 0.000 0.417 182 N N 1.874 120.244 118.700 -0.549 0.000 2.357 182 N HA 0.406 5.161 4.740 0.025 0.000 0.284 182 N C -0.753 174.490 175.510 -0.444 0.000 1.236 182 N CA -0.691 52.032 53.050 -0.545 0.000 0.774 182 N CB 2.680 40.680 38.487 -0.812 0.000 1.534 182 N HN 0.212 nan 8.380 nan 0.000 0.478 183 R N 1.376 121.783 120.500 -0.156 0.000 2.513 183 R HA 0.499 4.854 4.340 0.025 0.000 0.301 183 R C -1.294 175.076 176.300 0.116 0.000 0.968 183 R CA -0.465 55.632 56.100 -0.006 0.000 0.872 183 R CB 0.935 31.193 30.300 -0.070 0.000 1.177 183 R HN 0.477 nan 8.270 nan 0.000 0.444 184 L N 3.131 124.472 121.223 0.197 0.000 2.343 184 L HA 0.758 5.113 4.340 0.025 0.000 0.275 184 L C -0.260 176.656 176.870 0.077 0.000 1.056 184 L CA -1.000 53.938 54.840 0.162 0.000 0.804 184 L CB 1.938 44.072 42.059 0.124 0.000 1.203 184 L HN 0.788 nan 8.230 nan 0.000 0.440 185 A N 3.040 125.921 122.820 0.102 0.000 2.335 185 A HA 0.732 5.066 4.320 0.025 0.000 0.304 185 A C -1.024 176.833 177.584 0.456 0.000 1.118 185 A CA -0.443 51.567 52.037 -0.044 0.000 0.757 185 A CB 1.508 19.976 19.000 -0.886 0.000 1.188 185 A HN 0.374 nan 8.150 nan 0.000 0.460 186 V N 3.613 123.962 119.914 0.725 0.000 2.407 186 V HA 0.460 4.595 4.120 0.025 0.000 0.291 186 V C -0.076 176.525 176.094 0.846 0.000 1.018 186 V CA -0.294 62.427 62.300 0.702 0.000 0.842 186 V CB 1.530 33.606 31.823 0.421 0.000 0.996 186 V HN 0.963 nan 8.190 nan 0.000 0.426 187 M N 6.119 126.230 119.600 0.852 0.000 2.061 187 M HA 0.558 5.053 4.480 0.025 0.000 0.346 187 M C -1.426 175.134 176.300 0.433 0.000 1.112 187 M CA -0.380 55.261 55.300 0.569 0.000 1.021 187 M CB 1.124 34.098 32.600 0.623 0.000 1.530 187 M HN 0.471 nan 8.290 nan 0.000 0.437 188 V N 6.816 126.945 119.914 0.358 0.000 2.394 188 V HA 0.391 4.526 4.120 0.025 0.000 0.282 188 V C -0.124 176.144 176.094 0.291 0.000 1.031 188 V CA -0.663 61.861 62.300 0.372 0.000 0.881 188 V CB 1.398 33.541 31.823 0.532 0.000 0.982 188 V HN 0.801 nan 8.190 nan 0.000 0.451 189 L N 4.911 126.234 121.223 0.167 0.000 2.289 189 L HA 0.512 4.866 4.340 0.025 0.000 0.285 189 L C 1.551 178.440 176.870 0.032 0.000 1.049 189 L CA -0.370 54.488 54.840 0.031 0.000 0.804 189 L CB 1.226 43.197 42.059 -0.147 0.000 1.195 189 L HN 0.633 nan 8.230 nan 0.000 0.428 190 R N 2.855 123.320 120.500 -0.058 0.000 2.073 190 R HA -0.066 4.289 4.340 0.025 0.000 0.234 190 R C -0.375 175.565 176.300 -0.600 0.000 1.134 190 R CA 1.383 57.191 56.100 -0.486 0.000 0.952 190 R CB 0.204 30.034 30.300 -0.784 0.000 0.850 190 R HN 0.564 nan 8.270 nan 0.000 0.433 191 W N 0.054 121.423 121.300 0.116 0.000 2.606 191 W HA 0.435 5.110 4.660 0.024 0.000 0.332 191 W C -0.405 176.235 176.519 0.202 0.000 1.052 191 W CA -0.782 56.640 57.345 0.128 0.000 1.223 191 W CB 1.796 31.335 29.460 0.131 0.000 1.383 191 W HN 0.016 nan 8.180 nan 0.000 0.524 192 S N -1.067 114.927 115.700 0.490 0.000 2.636 192 S HA 0.180 4.665 4.470 0.025 0.000 0.268 192 S C 0.056 174.924 174.600 0.447 0.000 1.159 192 S CA -0.462 58.038 58.200 0.500 0.000 0.815 192 S CB 1.131 64.591 63.200 0.434 0.000 1.130 192 S HN 0.645 nan 8.310 nan 0.000 0.471 193 D N 0.582 121.245 120.400 0.439 0.000 2.265 193 D HA 0.043 4.698 4.640 0.025 0.000 0.208 193 D C 1.786 178.402 176.300 0.527 0.000 0.977 193 D CA 1.289 55.593 54.000 0.507 0.000 0.871 193 D CB -0.704 40.248 40.800 0.253 0.000 0.925 193 D HN 0.728 nan 8.370 nan 0.000 0.485 194 G N 0.059 109.085 108.800 0.375 0.000 2.448 194 G HA2 -0.263 3.711 3.960 0.025 0.000 0.219 194 G HA3 -0.263 3.711 3.960 0.025 0.000 0.219 194 G C 1.703 176.796 174.900 0.322 0.000 1.127 194 G CA 0.723 46.020 45.100 0.327 0.000 0.766 194 G HN 0.314 nan 8.290 nan 0.000 0.552 195 S N -0.048 115.833 115.700 0.301 0.000 2.419 195 S HA -0.114 4.371 4.470 0.025 0.000 0.233 195 S C 1.901 176.614 174.600 0.188 0.000 1.016 195 S CA 0.800 59.149 58.200 0.247 0.000 0.974 195 S CB -0.399 62.959 63.200 0.262 0.000 0.786 195 S HN 0.555 nan 8.310 nan 0.000 0.492 196 Y N 1.123 121.564 120.300 0.234 0.000 2.421 196 Y HA 0.090 4.654 4.550 0.024 0.000 0.292 196 Y C 1.576 177.602 175.900 0.210 0.000 1.136 196 Y CA 0.621 58.785 58.100 0.107 0.000 1.255 196 Y CB -0.203 38.170 38.460 -0.145 0.000 0.991 196 Y HN 0.197 nan 8.280 nan 0.000 0.552 197 L N -0.220 121.210 121.223 0.344 0.000 2.700 197 L HA 0.130 4.484 4.340 0.025 0.000 0.234 197 L C 0.037 177.056 176.870 0.247 0.000 1.156 197 L CA 0.429 55.428 54.840 0.264 0.000 0.946 197 L CB 0.054 42.274 42.059 0.268 0.000 1.216 197 L HN 0.148 nan 8.230 nan 0.000 0.493 198 E N -0.102 120.257 120.200 0.264 0.000 3.846 198 E HA 0.038 4.403 4.350 0.025 0.000 0.216 198 E C -0.455 176.255 176.600 0.183 0.000 1.092 198 E CA -0.056 56.481 56.400 0.227 0.000 1.370 198 E CB 0.534 30.360 29.700 0.210 0.000 1.227 198 E HN 0.030 nan 8.360 nan 0.000 0.442 199 D N 1.001 121.467 120.400 0.110 0.000 2.460 199 D HA 0.026 4.680 4.640 0.025 0.000 0.229 199 D C -0.132 176.160 176.300 -0.014 0.000 1.170 199 D CA -0.077 53.868 54.000 -0.091 0.000 0.827 199 D CB 0.207 40.694 40.800 -0.521 0.000 0.973 199 D HN 0.073 nan 8.370 nan 0.000 0.496 200 Q N 0.487 120.374 119.800 0.146 0.000 2.386 200 Q HA 0.085 4.440 4.340 0.025 0.000 0.282 200 Q C -0.094 176.017 176.000 0.185 0.000 1.050 200 Q CA 0.235 56.192 55.803 0.257 0.000 0.918 200 Q CB 0.518 29.562 28.738 0.509 0.000 1.266 200 Q HN 0.063 nan 8.270 nan 0.000 0.423 201 D N 2.990 123.522 120.400 0.220 0.000 2.455 201 D HA 0.206 4.861 4.640 0.025 0.000 0.234 201 D C -0.814 175.614 176.300 0.213 0.000 1.224 201 D CA 0.074 54.171 54.000 0.161 0.000 0.999 201 D CB -0.415 40.467 40.800 0.136 0.000 1.072 201 D HN 0.481 nan 8.370 nan 0.000 0.514 202 M N 0.438 120.133 119.600 0.158 0.000 2.895 202 M HA 0.373 4.868 4.480 0.025 0.000 0.271 202 M C -1.307 175.059 176.300 0.109 0.000 1.174 202 M CA -1.171 54.144 55.300 0.025 0.000 0.816 202 M CB 0.947 33.487 32.600 -0.101 0.000 1.647 202 M HN -0.081 nan 8.290 nan 0.000 0.506 203 W N 1.909 123.279 121.300 0.117 0.000 2.231 203 W HA 0.264 4.939 4.660 0.025 0.000 0.341 203 W C 0.277 176.817 176.519 0.034 0.000 1.298 203 W CA 0.058 57.470 57.345 0.112 0.000 1.266 203 W CB 0.288 29.752 29.460 0.006 0.000 1.172 203 W HN 0.303 nan 8.180 nan 0.000 0.568 204 R N 4.640 125.312 120.500 0.287 0.000 2.204 204 R HA 0.430 4.784 4.340 0.025 0.000 0.341 204 R C -0.118 176.201 176.300 0.031 0.000 1.035 204 R CA -0.318 55.875 56.100 0.155 0.000 0.887 204 R CB 0.243 30.703 30.300 0.267 0.000 1.114 204 R HN 0.535 nan 8.270 nan 0.000 0.473 205 M N 0.264 119.768 119.600 -0.160 0.000 2.821 205 M HA 0.540 5.035 4.480 0.025 0.000 0.294 205 M C 0.032 175.986 176.300 -0.576 0.000 1.195 205 M CA -0.835 54.247 55.300 -0.363 0.000 0.784 205 M CB 2.329 34.716 32.600 -0.355 0.000 1.755 205 M HN 0.625 nan 8.290 nan 0.000 0.477 206 S N -1.117 114.098 115.700 -0.808 0.000 2.615 206 S HA 0.984 5.468 4.470 0.025 0.000 0.269 206 S C -0.600 173.505 174.600 -0.825 0.000 1.161 206 S CA -0.191 57.454 58.200 -0.924 0.000 0.817 206 S CB 1.993 64.439 63.200 -1.256 0.000 1.131 206 S HN 1.401 nan 8.310 nan 0.000 0.467 207 G N -0.205 108.353 108.800 -0.403 0.000 2.353 207 G HA2 0.217 4.192 3.960 0.025 0.000 0.424 207 G HA3 0.217 4.192 3.960 0.025 0.000 0.424 207 G C -1.561 173.363 174.900 0.040 0.000 1.320 207 G CA -0.712 44.448 45.100 0.101 0.000 0.995 207 G HN 1.058 nan 8.290 nan 0.000 0.580 208 I N 1.997 122.439 120.570 -0.214 0.000 2.256 208 I HA 0.283 4.468 4.170 0.025 0.000 0.294 208 I C 1.098 177.076 176.117 -0.231 0.000 1.127 208 I CA -0.272 60.782 61.300 -0.409 0.000 1.247 208 I CB -0.034 37.441 38.000 -0.875 0.000 1.460 208 I HN 0.528 nan 8.210 nan 0.000 0.511 209 F N 4.833 124.627 119.950 -0.259 0.000 2.695 209 F HA 0.461 5.003 4.527 0.024 0.000 0.303 209 F C 0.654 176.362 175.800 -0.154 0.000 1.091 209 F CA -0.534 57.346 58.000 -0.201 0.000 1.300 209 F CB 0.147 39.034 39.000 -0.188 0.000 1.071 209 F HN 0.134 nan 8.300 nan 0.000 0.578 210 R N 0.475 120.511 120.500 -0.773 0.000 2.930 210 R HA 0.261 4.615 4.340 0.025 0.000 0.257 210 R C -0.786 175.276 176.300 -0.397 0.000 1.107 210 R CA -1.179 54.573 56.100 -0.580 0.000 0.999 210 R CB 0.606 30.481 30.300 -0.709 0.000 1.209 210 R HN -0.043 nan 8.270 nan 0.000 0.486 211 D N 0.763 120.970 120.400 -0.320 0.000 2.419 211 D HA 0.103 4.758 4.640 0.025 0.000 0.236 211 D C -0.446 175.696 176.300 -0.263 0.000 1.165 211 D CA 0.364 54.223 54.000 -0.236 0.000 0.882 211 D CB 0.720 41.419 40.800 -0.168 0.000 1.201 211 D HN -0.004 nan 8.370 nan 0.000 0.443 212 V N 1.077 120.846 119.914 -0.241 0.000 2.487 212 V HA 0.510 4.645 4.120 0.025 0.000 0.298 212 V C 0.140 176.106 176.094 -0.214 0.000 1.028 212 V CA -0.588 61.513 62.300 -0.332 0.000 0.860 212 V CB 1.516 33.142 31.823 -0.327 0.000 0.991 212 V HN 0.727 nan 8.190 nan 0.000 0.427 213 S N 5.068 120.625 115.700 -0.238 0.000 2.627 213 S HA 0.853 5.338 4.470 0.025 0.000 0.283 213 S C -1.254 173.288 174.600 -0.097 0.000 1.127 213 S CA -0.894 57.234 58.200 -0.121 0.000 0.863 213 S CB 1.961 65.126 63.200 -0.059 0.000 1.121 213 S HN 0.468 nan 8.310 nan 0.000 0.479 214 L N 1.637 122.865 121.223 0.008 0.000 2.333 214 L HA 0.672 5.027 4.340 0.025 0.000 0.280 214 L C -1.349 175.723 176.870 0.337 0.000 1.004 214 L CA -0.860 54.068 54.840 0.147 0.000 0.820 214 L CB 1.711 43.840 42.059 0.116 0.000 1.247 214 L HN 0.691 nan 8.230 nan 0.000 0.416 215 L N 3.438 124.845 121.223 0.305 0.000 2.381 215 L HA 0.457 4.812 4.340 0.025 0.000 0.274 215 L C -0.687 176.236 176.870 0.088 0.000 0.988 215 L CA -0.141 54.818 54.840 0.199 0.000 0.824 215 L CB 1.440 43.562 42.059 0.105 0.000 1.263 215 L HN 0.479 nan 8.230 nan 0.000 0.410 216 H N 5.436 124.312 119.070 -0.324 0.000 2.517 216 H HA 0.474 5.044 4.556 0.025 0.000 0.317 216 H C -1.195 173.929 175.328 -0.340 0.000 1.080 216 H CA -0.488 55.233 56.048 -0.545 0.000 1.301 216 H CB 1.060 29.958 29.762 -1.441 0.000 1.425 216 H HN 0.537 nan 8.280 nan 0.000 0.471 217 K N 5.462 125.486 120.400 -0.627 0.000 2.385 217 K HA 0.373 4.708 4.320 0.025 0.000 0.248 217 K C -2.720 173.626 176.600 -0.422 0.000 0.955 217 K CA -2.010 54.053 56.287 -0.374 0.000 0.816 217 K CB 2.198 34.552 32.500 -0.242 0.000 1.250 217 K HN 0.488 nan 8.250 nan 0.000 0.434 218 P HA 0.134 nan 4.420 nan 0.000 0.274 218 P C 0.474 177.704 177.300 -0.116 0.000 1.237 218 P CA -0.160 62.872 63.100 -0.113 0.000 0.793 218 P CB 0.432 32.105 31.700 -0.044 0.000 0.977 219 T N -0.761 113.751 114.554 -0.071 0.000 2.759 219 T HA -0.057 4.308 4.350 0.025 0.000 0.269 219 T C 0.648 175.314 174.700 -0.057 0.000 1.042 219 T CA 1.652 63.718 62.100 -0.057 0.000 1.140 219 T CB -0.591 68.261 68.868 -0.027 0.000 0.864 219 T HN 0.444 nan 8.240 nan 0.000 0.455 220 T N 3.613 118.140 114.554 -0.045 0.000 2.738 220 T HA 0.461 4.826 4.350 0.025 0.000 0.298 220 T C -0.269 174.398 174.700 -0.054 0.000 0.962 220 T CA -0.647 61.422 62.100 -0.052 0.000 0.972 220 T CB 0.691 69.545 68.868 -0.024 0.000 0.928 220 T HN 0.479 nan 8.240 nan 0.000 0.474 221 Q N 2.459 122.212 119.800 -0.078 0.000 2.501 221 Q HA 0.625 4.980 4.340 0.025 0.000 0.288 221 Q C -1.203 174.748 176.000 -0.082 0.000 1.051 221 Q CA -1.180 54.568 55.803 -0.093 0.000 0.788 221 Q CB 1.364 30.025 28.738 -0.127 0.000 1.469 221 Q HN 0.456 nan 8.270 nan 0.000 0.416 222 I N 2.510 123.010 120.570 -0.118 0.000 2.452 222 I HA 0.023 4.207 4.170 0.025 0.000 0.287 222 I C 0.736 176.790 176.117 -0.105 0.000 1.079 222 I CA 0.040 61.295 61.300 -0.076 0.000 1.387 222 I CB 1.065 38.975 38.000 -0.151 0.000 1.404 222 I HN 0.885 nan 8.210 nan 0.000 0.522 223 S N 2.585 118.327 115.700 0.069 0.000 2.502 223 S HA 0.200 4.685 4.470 0.025 0.000 0.215 223 S C 0.170 174.992 174.600 0.370 0.000 1.009 223 S CA -0.262 58.049 58.200 0.185 0.000 0.908 223 S CB 0.281 63.529 63.200 0.080 0.000 0.801 223 S HN 0.709 nan 8.310 nan 0.000 0.505 224 D N -0.176 120.428 120.400 0.340 0.000 2.685 224 D HA 0.523 5.178 4.640 0.025 0.000 0.236 224 D C -1.903 174.554 176.300 0.261 0.000 1.233 224 D CA -0.720 53.453 54.000 0.289 0.000 0.760 224 D CB 1.686 42.556 40.800 0.117 0.000 1.410 224 D HN 0.201 nan 8.370 nan 0.000 0.439 225 F N -0.505 119.493 119.950 0.080 0.000 2.615 225 F HA 0.614 5.156 4.527 0.025 0.000 0.312 225 F C -1.468 174.360 175.800 0.047 0.000 1.119 225 F CA -0.801 57.174 58.000 -0.042 0.000 0.979 225 F CB 1.255 40.284 39.000 0.048 0.000 1.266 225 F HN 0.228 nan 8.300 nan 0.000 0.444 226 H N 1.957 121.102 119.070 0.124 0.000 2.529 226 H HA 0.740 5.311 4.556 0.025 0.000 0.348 226 H C -1.253 174.123 175.328 0.081 0.000 1.079 226 H CA -1.471 54.583 56.048 0.011 0.000 1.198 226 H CB 2.564 32.315 29.762 -0.019 0.000 1.521 226 H HN 0.613 nan 8.280 nan 0.000 0.514 227 V N 2.354 122.376 119.914 0.179 0.000 2.417 227 V HA 0.665 4.800 4.120 0.025 0.000 0.291 227 V C -0.179 175.915 176.094 0.001 0.000 1.024 227 V CA -0.578 61.775 62.300 0.089 0.000 0.861 227 V CB 1.310 33.181 31.823 0.080 0.000 0.985 227 V HN 0.931 nan 8.190 nan 0.000 0.436 228 A N 3.284 126.082 122.820 -0.038 0.000 2.413 228 A HA 0.959 5.294 4.320 0.025 0.000 0.307 228 A C -0.137 177.349 177.584 -0.163 0.000 1.087 228 A CA -0.513 51.480 52.037 -0.074 0.000 0.750 228 A CB 1.972 20.948 19.000 -0.039 0.000 1.296 228 A HN 0.941 nan 8.150 nan 0.000 0.423 229 T N -0.107 114.333 114.554 -0.190 0.000 2.890 229 T HA 0.721 5.086 4.350 0.025 0.000 0.295 229 T C -0.542 173.946 174.700 -0.352 0.000 0.993 229 T CA -0.681 61.210 62.100 -0.348 0.000 0.979 229 T CB 0.914 69.481 68.868 -0.503 0.000 0.967 229 T HN 0.708 nan 8.240 nan 0.000 0.441 230 R N 1.947 122.172 120.500 -0.459 0.000 2.778 230 R HA 0.843 5.197 4.340 0.025 0.000 0.277 230 R C -1.143 174.785 176.300 -0.620 0.000 0.977 230 R CA -0.760 55.151 56.100 -0.315 0.000 0.950 230 R CB 1.525 31.747 30.300 -0.131 0.000 1.165 230 R HN 0.555 nan 8.270 nan 0.000 0.474 231 F N 0.032 119.964 119.950 -0.030 0.000 2.620 231 F HA 0.354 4.895 4.527 0.022 0.000 0.320 231 F C 0.358 176.025 175.800 -0.221 0.000 1.069 231 F CA -1.137 56.791 58.000 -0.120 0.000 0.953 231 F CB 1.106 39.945 39.000 -0.268 0.000 1.322 231 F HN 0.553 nan 8.300 nan 0.000 0.479 232 N N 0.021 118.709 118.700 -0.020 0.000 2.364 232 N HA 0.048 4.802 4.740 0.025 0.000 0.264 232 N C 0.476 175.835 175.510 -0.250 0.000 1.263 232 N CA -0.095 52.898 53.050 -0.095 0.000 0.959 232 N CB 0.106 38.566 38.487 -0.044 0.000 1.204 232 N HN 0.674 nan 8.380 nan 0.000 0.550 233 D N -1.365 118.939 120.400 -0.160 0.000 2.182 233 D HA -0.230 4.425 4.640 0.025 0.000 0.201 233 D C 0.205 176.417 176.300 -0.147 0.000 0.986 233 D CA 1.509 55.413 54.000 -0.159 0.000 0.847 233 D CB -0.537 40.236 40.800 -0.046 0.000 0.942 233 D HN 0.743 nan 8.370 nan 0.000 0.467 234 D N -1.689 118.676 120.400 -0.058 0.000 2.501 234 D HA 0.045 4.699 4.640 0.025 0.000 0.224 234 D C 0.046 176.508 176.300 0.271 0.000 1.202 234 D CA -1.006 53.077 54.000 0.138 0.000 0.829 234 D CB -1.037 39.836 40.800 0.122 0.000 1.023 234 D HN 0.153 nan 8.370 nan 0.000 0.499 235 F N 0.353 120.358 119.950 0.091 0.000 3.034 235 F HA -0.298 4.243 4.527 0.024 0.000 0.286 235 F C 1.717 177.600 175.800 0.139 0.000 0.804 235 F CA 0.813 58.882 58.000 0.115 0.000 1.161 235 F CB -2.511 36.446 39.000 -0.071 0.000 1.317 235 F HN 0.223 nan 8.300 nan 0.000 0.453 236 S N -1.098 114.713 115.700 0.185 0.000 2.501 236 S HA 0.187 4.672 4.470 0.025 0.000 0.220 236 S C 0.743 175.398 174.600 0.092 0.000 0.997 236 S CA 0.014 58.291 58.200 0.127 0.000 0.919 236 S CB 0.413 63.663 63.200 0.084 0.000 0.778 236 S HN 0.342 nan 8.310 nan 0.000 0.523 237 R N 0.643 121.203 120.500 0.100 0.000 2.673 237 R HA 0.815 5.170 4.340 0.025 0.000 0.281 237 R C -1.238 175.094 176.300 0.052 0.000 0.991 237 R CA -0.291 55.836 56.100 0.045 0.000 0.896 237 R CB 2.008 32.312 30.300 0.007 0.000 1.201 237 R HN 0.248 nan 8.270 nan 0.000 0.457 238 A N 1.510 124.304 122.820 -0.044 0.000 2.515 238 A HA 0.720 5.055 4.320 0.025 0.000 0.296 238 A C -1.113 176.389 177.584 -0.136 0.000 1.094 238 A CA -0.689 51.236 52.037 -0.186 0.000 0.718 238 A CB 2.136 21.004 19.000 -0.221 0.000 1.307 238 A HN 0.327 nan 8.150 nan 0.000 0.408 239 V N 1.703 121.507 119.914 -0.184 0.000 2.378 239 V HA 0.389 4.524 4.120 0.025 0.000 0.288 239 V C -0.421 175.605 176.094 -0.115 0.000 1.016 239 V CA -0.294 61.937 62.300 -0.114 0.000 0.840 239 V CB 1.219 32.982 31.823 -0.100 0.000 0.994 239 V HN 0.776 nan 8.190 nan 0.000 0.431 240 L N 4.676 125.873 121.223 -0.043 0.000 2.265 240 L HA 0.557 4.911 4.340 0.025 0.000 0.288 240 L C 0.062 176.890 176.870 -0.069 0.000 1.058 240 L CA 0.144 54.935 54.840 -0.081 0.000 0.809 240 L CB 0.911 42.954 42.059 -0.026 0.000 1.179 240 L HN 0.725 nan 8.230 nan 0.000 0.429 241 E N 4.050 124.206 120.200 -0.073 0.000 2.165 241 E HA 0.634 4.999 4.350 0.025 0.000 0.266 241 E C -1.249 175.344 176.600 -0.011 0.000 0.889 241 E CA -0.675 55.701 56.400 -0.040 0.000 0.756 241 E CB 1.659 31.338 29.700 -0.035 0.000 1.131 241 E HN 0.700 nan 8.360 nan 0.000 0.411 242 A N 4.524 127.344 122.820 0.001 0.000 2.285 242 A HA 0.299 4.634 4.320 0.025 0.000 0.310 242 A C -0.592 177.007 177.584 0.024 0.000 1.266 242 A CA -0.620 51.441 52.037 0.040 0.000 0.832 242 A CB 0.886 19.907 19.000 0.034 0.000 1.163 242 A HN 0.703 nan 8.150 nan 0.000 0.499 243 E N 2.562 122.777 120.200 0.026 0.000 2.200 243 E HA 0.520 4.885 4.350 0.025 0.000 0.283 243 E C -1.277 175.292 176.600 -0.051 0.000 1.015 243 E CA -0.318 56.059 56.400 -0.037 0.000 0.819 243 E CB 1.067 30.720 29.700 -0.078 0.000 1.081 243 E HN 0.377 nan 8.360 nan 0.000 0.397 244 V N 4.894 124.805 119.914 -0.005 0.000 2.540 244 V HA 0.288 4.423 4.120 0.025 0.000 0.302 244 V C -0.391 175.781 176.094 0.130 0.000 1.035 244 V CA -0.766 61.579 62.300 0.074 0.000 0.873 244 V CB 1.709 33.565 31.823 0.054 0.000 0.992 244 V HN 0.749 nan 8.190 nan 0.000 0.428 245 Q N 3.898 123.766 119.800 0.114 0.000 2.348 245 Q HA 0.832 5.187 4.340 0.025 0.000 0.271 245 Q C -0.712 175.338 176.000 0.083 0.000 1.067 245 Q CA -0.872 54.983 55.803 0.088 0.000 0.839 245 Q CB 2.723 31.457 28.738 -0.007 0.000 1.354 245 Q HN 0.824 nan 8.270 nan 0.000 0.447 249 E N 0.246 120.390 120.200 -0.094 0.000 2.223 249 E HA 0.418 4.783 4.350 0.025 0.000 0.282 249 E C -0.134 176.373 176.600 -0.155 0.000 1.046 249 E CA -0.361 55.977 56.400 -0.104 0.000 0.857 249 E CB 0.506 30.165 29.700 -0.068 0.000 1.055 249 E HN 0.332 nan 8.360 nan 0.000 0.409 250 L N 4.880 126.000 121.223 -0.173 0.000 2.397 250 L HA 0.376 4.731 4.340 0.025 0.000 0.271 250 L C 0.413 177.152 176.870 -0.217 0.000 1.148 250 L CA -0.240 54.475 54.840 -0.209 0.000 0.825 250 L CB 0.568 42.522 42.059 -0.175 0.000 1.117 250 L HN 0.469 nan 8.230 nan 0.000 0.456 251 R N 1.284 121.603 120.500 -0.301 0.000 2.626 251 R HA 0.175 4.530 4.340 0.025 0.000 0.274 251 R C -0.308 175.760 176.300 -0.387 0.000 1.031 251 R CA -0.767 55.055 56.100 -0.464 0.000 0.898 251 R CB 1.580 31.227 30.300 -1.090 0.000 1.222 251 R HN 0.529 nan 8.270 nan 0.000 0.455 252 D N 1.055 121.310 120.400 -0.241 0.000 2.263 252 D HA -0.145 4.510 4.640 0.025 0.000 0.208 252 D C 1.462 177.736 176.300 -0.042 0.000 0.971 252 D CA 1.515 55.458 54.000 -0.095 0.000 0.867 252 D CB 0.155 40.942 40.800 -0.022 0.000 0.929 252 D HN 0.562 nan 8.370 nan 0.000 0.492 253 Y N -0.147 120.165 120.300 0.019 0.000 2.546 253 Y HA 0.245 4.810 4.550 0.025 0.000 0.287 253 Y C 0.794 176.691 175.900 -0.005 0.000 1.158 253 Y CA -0.440 57.665 58.100 0.008 0.000 1.307 253 Y CB -0.904 37.563 38.460 0.011 0.000 1.036 253 Y HN -0.193 nan 8.280 nan 0.000 0.532 254 L N 2.424 123.631 121.223 -0.028 0.000 2.452 254 L HA 0.349 4.704 4.340 0.025 0.000 0.267 254 L C 0.220 177.058 176.870 -0.053 0.000 1.188 254 L CA -0.238 54.633 54.840 0.053 0.000 0.821 254 L CB 0.519 42.657 42.059 0.133 0.000 1.102 254 L HN 0.131 nan 8.230 nan 0.000 0.470 255 R N 1.474 121.822 120.500 -0.253 0.000 2.740 255 R HA 0.650 5.005 4.340 0.025 0.000 0.273 255 R C -1.532 174.394 176.300 -0.624 0.000 0.998 255 R CA -0.780 55.005 56.100 -0.524 0.000 0.900 255 R CB 2.202 32.010 30.300 -0.821 0.000 1.223 255 R HN 0.269 nan 8.270 nan 0.000 0.466 256 V N 1.120 120.727 119.914 -0.512 0.000 2.540 256 V HA 0.512 4.647 4.120 0.025 0.000 0.302 256 V C -0.255 175.801 176.094 -0.062 0.000 1.035 256 V CA -0.541 61.578 62.300 -0.302 0.000 0.873 256 V CB 2.278 33.857 31.823 -0.406 0.000 0.992 256 V HN 0.714 nan 8.190 nan 0.000 0.428 257 T N 3.990 118.617 114.554 0.121 0.000 2.807 257 T HA 0.615 4.980 4.350 0.025 0.000 0.279 257 T C -0.627 174.084 174.700 0.018 0.000 0.993 257 T CA -0.361 61.799 62.100 0.100 0.000 0.970 257 T CB 1.658 70.595 68.868 0.116 0.000 0.950 257 T HN 0.340 nan 8.240 nan 0.000 0.441 258 V N 3.790 123.696 119.914 -0.014 0.000 2.448 258 V HA 0.693 4.828 4.120 0.025 0.000 0.295 258 V C -0.036 176.050 176.094 -0.014 0.000 1.025 258 V CA -0.752 61.534 62.300 -0.022 0.000 0.859 258 V CB 1.794 33.594 31.823 -0.040 0.000 0.988 258 V HN 1.050 nan 8.190 nan 0.000 0.431 259 S N 5.266 120.981 115.700 0.026 0.000 2.513 259 S HA 0.860 5.345 4.470 0.025 0.000 0.299 259 S C -1.134 173.468 174.600 0.003 0.000 1.087 259 S CA -0.758 57.430 58.200 -0.020 0.000 1.012 259 S CB 2.103 65.334 63.200 0.052 0.000 1.044 259 S HN 0.557 nan 8.310 nan 0.000 0.485 260 L N 2.404 123.527 121.223 -0.167 0.000 2.341 260 L HA 0.798 5.153 4.340 0.025 0.000 0.278 260 L C -1.915 174.849 176.870 -0.175 0.000 1.005 260 L CA -0.335 54.499 54.840 -0.010 0.000 0.818 260 L CB 0.964 43.038 42.059 0.026 0.000 1.259 260 L HN 0.904 nan 8.230 nan 0.000 0.418 261 W N 3.434 124.837 121.300 0.170 0.000 2.689 261 W HA 0.646 5.321 4.660 0.025 0.000 0.340 261 W C -0.687 175.941 176.519 0.180 0.000 1.060 261 W CA -0.476 56.950 57.345 0.135 0.000 1.218 261 W CB 1.547 31.035 29.460 0.047 0.000 1.410 261 W HN 0.411 nan 8.180 nan 0.000 0.528 262 Q N 2.277 122.253 119.800 0.293 0.000 2.464 262 Q HA 0.539 4.893 4.340 0.025 0.000 0.256 262 Q C 0.344 176.382 176.000 0.063 0.000 1.020 262 Q CA 0.031 55.840 55.803 0.011 0.000 0.716 262 Q CB 0.841 29.459 28.738 -0.200 0.000 1.230 262 Q HN 0.793 nan 8.270 nan 0.000 0.494 263 G N 3.358 112.191 108.800 0.056 0.000 2.583 263 G HA2 -0.334 3.641 3.960 0.025 0.000 0.292 263 G HA3 -0.334 3.641 3.960 0.025 0.000 0.292 263 G C 0.507 175.497 174.900 0.149 0.000 1.203 263 G CA 0.297 45.429 45.100 0.055 0.000 0.987 263 G HN 0.588 nan 8.290 nan 0.000 0.554 264 E N 0.812 121.092 120.200 0.133 0.000 2.478 264 E HA 0.097 4.462 4.350 0.025 0.000 0.194 264 E C 0.696 177.513 176.600 0.361 0.000 1.045 264 E CA 0.643 57.157 56.400 0.190 0.000 0.868 264 E CB 0.037 29.786 29.700 0.082 0.000 0.885 264 E HN 0.376 nan 8.360 nan 0.000 0.505 265 T N 1.447 116.165 114.554 0.273 0.000 2.780 265 T HA 0.076 4.440 4.350 0.025 0.000 0.294 265 T C 0.010 174.741 174.700 0.052 0.000 0.949 265 T CA -0.086 62.107 62.100 0.156 0.000 1.074 265 T CB 1.285 70.191 68.868 0.064 0.000 0.910 265 T HN 0.024 nan 8.240 nan 0.000 0.501 266 Q N 3.575 123.181 119.800 -0.323 0.000 2.361 266 Q HA 0.230 4.585 4.340 0.025 0.000 0.250 266 Q C 0.635 176.353 176.000 -0.472 0.000 1.023 266 Q CA -0.389 54.818 55.803 -0.993 0.000 0.915 266 Q CB 0.524 28.547 28.738 -1.191 0.000 1.238 266 Q HN 0.550 nan 8.270 nan 0.000 0.451 267 V N 3.008 122.720 119.914 -0.337 0.000 2.488 267 V HA 0.067 4.201 4.120 0.025 0.000 0.246 267 V C 0.523 176.510 176.094 -0.178 0.000 1.046 267 V CA 1.576 63.784 62.300 -0.153 0.000 1.053 267 V CB -0.057 31.768 31.823 0.003 0.000 0.679 267 V HN 0.806 nan 8.190 nan 0.000 0.458 268 A N -1.559 121.120 122.820 -0.236 0.000 2.601 268 A HA 0.768 5.103 4.320 0.025 0.000 0.291 268 A C -0.747 176.714 177.584 -0.205 0.000 1.075 268 A CA 0.083 52.014 52.037 -0.177 0.000 0.671 268 A CB 1.930 20.862 19.000 -0.114 0.000 1.277 268 A HN 0.089 nan 8.150 nan 0.000 0.417 269 S N -1.053 114.560 115.700 -0.146 0.000 2.543 269 S HA 0.762 5.247 4.470 0.025 0.000 0.274 269 S C -0.603 173.951 174.600 -0.077 0.000 1.149 269 S CA 0.264 58.391 58.200 -0.121 0.000 0.866 269 S CB 1.498 64.613 63.200 -0.142 0.000 1.111 269 S HN 2.393 nan 8.310 nan 0.000 0.457 270 G N 1.522 110.290 108.800 -0.054 0.000 2.696 270 G HA2 0.685 4.659 3.960 0.025 0.000 0.295 270 G HA3 0.685 4.659 3.960 0.025 0.000 0.295 270 G C -1.416 173.468 174.900 -0.026 0.000 1.398 270 G CA -0.438 44.637 45.100 -0.043 0.000 0.920 270 G HN 0.744 nan 8.290 nan 0.000 0.492 271 T N -0.421 114.121 114.554 -0.020 0.000 2.900 271 T HA 0.865 5.230 4.350 0.025 0.000 0.295 271 T C -0.387 174.284 174.700 -0.049 0.000 1.044 271 T CA 0.010 62.107 62.100 -0.006 0.000 0.995 271 T CB 1.869 70.770 68.868 0.055 0.000 1.072 271 T HN 1.630 nan 8.240 nan 0.000 0.473 272 A N 2.883 125.640 122.820 -0.105 0.000 2.612 272 A HA 0.907 5.241 4.320 0.025 0.000 0.293 272 A C -3.118 174.334 177.584 -0.221 0.000 1.075 272 A CA -1.554 50.405 52.037 -0.129 0.000 0.680 272 A CB 1.228 20.151 19.000 -0.128 0.000 1.279 272 A HN 0.535 nan 8.150 nan 0.000 0.411 273 P HA 0.522 nan 4.420 nan 0.000 0.278 273 P C -0.561 176.600 177.300 -0.231 0.000 1.266 273 P CA -0.292 62.699 63.100 -0.181 0.000 0.807 273 P CB 0.341 32.006 31.700 -0.058 0.000 1.094 274 F N -0.135 119.779 119.950 -0.060 0.000 2.496 274 F HA 0.452 4.993 4.527 0.024 0.000 0.344 274 F C 1.487 177.273 175.800 -0.025 0.000 1.155 274 F CA 1.544 59.519 58.000 -0.042 0.000 1.302 274 F CB 0.240 39.211 39.000 -0.049 0.000 1.159 274 F HN 0.560 nan 8.300 nan 0.000 0.595 275 G N 1.737 110.663 108.800 0.209 0.000 2.648 275 G HA2 0.343 4.318 3.960 0.025 0.000 0.317 275 G HA3 0.343 4.318 3.960 0.025 0.000 0.317 275 G C -0.465 174.491 174.900 0.095 0.000 1.216 275 G CA -0.728 44.447 45.100 0.125 0.000 1.210 275 G HN 1.037 nan 8.290 nan 0.000 0.583 276 G N 0.653 109.531 108.800 0.129 0.000 2.616 276 G HA2 0.673 4.648 3.960 0.025 0.000 0.268 276 G HA3 0.673 4.648 3.960 0.025 0.000 0.268 276 G C 0.458 175.406 174.900 0.080 0.000 1.213 276 G CA 0.060 45.227 45.100 0.112 0.000 0.926 276 G HN 1.129 nan 8.290 nan 0.000 0.523 277 E N -0.960 119.280 120.200 0.068 0.000 2.392 277 E HA 0.265 4.630 4.350 0.025 0.000 0.256 277 E C -0.112 176.516 176.600 0.047 0.000 1.145 277 E CA -0.661 55.766 56.400 0.046 0.000 0.929 277 E CB 0.854 30.576 29.700 0.037 0.000 0.998 277 E HN 0.327 nan 8.360 nan 0.000 0.442 278 I N 1.848 122.433 120.570 0.024 0.000 2.683 278 I HA -0.132 4.053 4.170 0.025 0.000 0.286 278 I C 0.786 176.915 176.117 0.021 0.000 1.175 278 I CA 0.093 61.400 61.300 0.011 0.000 1.429 278 I CB 0.231 38.233 38.000 0.003 0.000 1.371 278 I HN 0.615 nan 8.210 nan 0.000 0.569 279 I N 3.585 124.162 120.570 0.013 0.000 3.194 279 I HA 0.094 4.279 4.170 0.025 0.000 0.271 279 I C 0.499 176.619 176.117 0.006 0.000 1.150 279 I CA 0.916 62.233 61.300 0.029 0.000 1.440 279 I CB -0.626 37.398 38.000 0.041 0.000 1.276 279 I HN 0.706 nan 8.210 nan 0.000 0.457 280 D N -1.155 119.233 120.400 -0.019 0.000 2.921 280 D HA 0.125 4.779 4.640 0.025 0.000 0.329 280 D C 0.297 176.582 176.300 -0.025 0.000 1.293 280 D CA -0.400 53.590 54.000 -0.018 0.000 0.964 280 D CB 0.479 41.269 40.800 -0.017 0.000 1.435 280 D HN -0.270 nan 8.370 nan 0.000 0.548 281 E N -1.045 119.143 120.200 -0.021 0.000 2.333 281 E HA -0.021 4.344 4.350 0.025 0.000 0.198 281 E C 1.188 177.770 176.600 -0.030 0.000 1.007 281 E CA 0.827 57.215 56.400 -0.021 0.000 0.845 281 E CB -0.057 29.633 29.700 -0.017 0.000 0.766 281 E HN 0.211 nan 8.360 nan 0.000 0.507 282 R N -0.281 120.192 120.500 -0.045 0.000 2.334 282 R HA 0.307 4.662 4.340 0.025 0.000 0.216 282 R C 0.793 177.050 176.300 -0.071 0.000 0.905 282 R CA 0.650 56.716 56.100 -0.056 0.000 1.064 282 R CB 0.580 30.841 30.300 -0.066 0.000 1.046 282 R HN 0.200 nan 8.270 nan 0.000 0.508 283 G N -0.495 108.266 108.800 -0.065 0.000 2.418 283 G HA2 -0.115 3.860 3.960 0.025 0.000 0.206 283 G HA3 -0.115 3.860 3.960 0.025 0.000 0.206 283 G C -0.238 174.609 174.900 -0.088 0.000 1.202 283 G CA -0.626 44.435 45.100 -0.065 0.000 1.061 283 G HN 0.470 nan 8.290 nan 0.000 0.563 284 G N -2.080 106.664 108.800 -0.093 0.000 3.176 284 G HA2 0.656 4.630 3.960 0.025 0.000 0.272 284 G HA3 0.656 4.630 3.960 0.025 0.000 0.272 284 G C -1.584 173.218 174.900 -0.164 0.000 1.349 284 G CA -0.707 44.342 45.100 -0.085 0.000 0.953 284 G HN 0.799 nan 8.290 nan 0.000 0.559 285 Y N 0.965 121.276 120.300 0.018 0.000 2.477 285 Y HA 0.432 4.996 4.550 0.024 0.000 0.349 285 Y C 1.408 177.326 175.900 0.030 0.000 0.977 285 Y CA 0.143 58.255 58.100 0.019 0.000 1.214 285 Y CB 1.716 40.192 38.460 0.027 0.000 1.124 285 Y HN 0.539 nan 8.280 nan 0.000 0.521 286 A N 1.741 124.620 122.820 0.099 0.000 2.168 286 A HA -0.115 4.220 4.320 0.025 0.000 0.215 286 A C 1.248 178.881 177.584 0.081 0.000 1.152 286 A CA 1.201 53.285 52.037 0.078 0.000 0.716 286 A CB -0.290 18.718 19.000 0.013 0.000 0.794 286 A HN 0.784 nan 8.150 nan 0.000 0.465 287 D N -0.884 119.558 120.400 0.070 0.000 2.388 287 D HA 0.156 4.811 4.640 0.025 0.000 0.221 287 D C 0.489 176.799 176.300 0.017 0.000 1.133 287 D CA -0.059 53.880 54.000 -0.102 0.000 0.831 287 D CB 0.021 40.762 40.800 -0.098 0.000 0.962 287 D HN 0.387 nan 8.370 nan 0.000 0.502 288 R N -0.900 119.764 120.500 0.274 0.000 2.855 288 R HA 0.767 5.122 4.340 0.025 0.000 0.266 288 R C -1.593 174.903 176.300 0.327 0.000 1.034 288 R CA -1.166 55.118 56.100 0.307 0.000 0.944 288 R CB 2.920 33.273 30.300 0.087 0.000 1.219 288 R HN -0.023 nan 8.270 nan 0.000 0.474 289 V N 0.018 120.020 119.914 0.148 0.000 3.147 289 V HA 0.508 4.643 4.120 0.025 0.000 0.299 289 V C -1.595 174.481 176.094 -0.030 0.000 1.302 289 V CA -0.301 62.000 62.300 0.002 0.000 1.015 289 V CB 2.806 34.520 31.823 -0.181 0.000 1.086 289 V HN 0.812 nan 8.190 nan 0.000 0.437 290 T N 6.834 121.370 114.554 -0.031 0.000 2.792 290 T HA 0.614 4.979 4.350 0.025 0.000 0.280 290 T C -1.008 173.666 174.700 -0.043 0.000 0.990 290 T CA -0.407 61.676 62.100 -0.029 0.000 0.960 290 T CB 1.132 69.994 68.868 -0.011 0.000 0.939 290 T HN 0.460 nan 8.240 nan 0.000 0.439 291 L N 3.509 124.705 121.223 -0.046 0.000 2.322 291 L HA 0.581 4.936 4.340 0.025 0.000 0.279 291 L C 0.399 177.246 176.870 -0.038 0.000 1.036 291 L CA -0.485 54.326 54.840 -0.049 0.000 0.807 291 L CB 1.483 43.509 42.059 -0.055 0.000 1.226 291 L HN 0.553 nan 8.230 nan 0.000 0.433 292 R N 4.181 124.657 120.500 -0.039 0.000 2.439 292 R HA 0.692 5.047 4.340 0.025 0.000 0.310 292 R C -1.148 175.126 176.300 -0.042 0.000 0.955 292 R CA -0.693 55.383 56.100 -0.039 0.000 0.853 292 R CB 2.006 32.284 30.300 -0.037 0.000 1.171 292 R HN 0.467 nan 8.270 nan 0.000 0.449 293 L N 2.584 123.782 121.223 -0.042 0.000 2.346 293 L HA 0.446 4.801 4.340 0.025 0.000 0.276 293 L C -0.202 176.641 176.870 -0.046 0.000 1.006 293 L CA -1.124 53.689 54.840 -0.045 0.000 0.817 293 L CB 1.832 43.866 42.059 -0.041 0.000 1.272 293 L HN 0.456 nan 8.230 nan 0.000 0.421 294 N N 2.026 120.693 118.700 -0.054 0.000 2.472 294 N HA 0.378 5.132 4.740 0.025 0.000 0.277 294 N C -0.910 174.553 175.510 -0.079 0.000 1.081 294 N CA -0.207 52.806 53.050 -0.061 0.000 0.973 294 N CB 2.507 40.961 38.487 -0.055 0.000 1.105 294 N HN 0.191 nan 8.380 nan 0.000 0.470 295 V N 2.405 122.258 119.914 -0.103 0.000 2.443 295 V HA 0.195 4.330 4.120 0.025 0.000 0.293 295 V C -0.207 175.800 176.094 -0.145 0.000 1.021 295 V CA -0.859 61.340 62.300 -0.170 0.000 0.848 295 V CB 1.727 33.339 31.823 -0.353 0.000 0.998 295 V HN 0.447 nan 8.190 nan 0.000 0.424 296 E N 2.894 123.033 120.200 -0.101 0.000 2.283 296 E HA 0.315 4.679 4.350 0.025 0.000 0.278 296 E C 0.314 176.885 176.600 -0.049 0.000 1.027 296 E CA -0.506 55.860 56.400 -0.057 0.000 0.843 296 E CB 0.475 30.154 29.700 -0.035 0.000 1.062 296 E HN 0.729 nan 8.360 nan 0.000 0.401 297 N N 1.090 119.785 118.700 -0.009 0.000 2.705 297 N HA -0.151 4.604 4.740 0.025 0.000 0.255 297 N C -2.436 173.072 175.510 -0.003 0.000 1.008 297 N CA 0.079 53.139 53.050 0.017 0.000 0.742 297 N CB -1.027 37.473 38.487 0.022 0.000 0.906 297 N HN 0.321 nan 8.380 nan 0.000 0.541 298 P HA -0.006 nan 4.420 nan 0.000 0.269 298 P C -0.388 176.941 177.300 0.048 0.000 1.209 298 P CA 0.385 63.378 63.100 -0.177 0.000 0.776 298 P CB 0.710 32.129 31.700 -0.468 0.000 0.876 299 K N 2.499 123.018 120.400 0.198 0.000 2.349 299 K HA 0.281 4.615 4.320 0.025 0.000 0.288 299 K C 0.225 176.987 176.600 0.270 0.000 1.058 299 K CA -0.359 56.041 56.287 0.188 0.000 0.953 299 K CB 0.181 32.760 32.500 0.132 0.000 0.997 299 K HN 0.410 nan 8.250 nan 0.000 0.477 300 L N 2.559 123.865 121.223 0.139 0.000 2.375 300 L HA 0.319 4.674 4.340 0.025 0.000 0.271 300 L C -0.080 176.865 176.870 0.125 0.000 1.107 300 L CA -0.805 54.118 54.840 0.139 0.000 0.806 300 L CB 0.480 42.456 42.059 -0.137 0.000 1.146 300 L HN 0.629 nan 8.230 nan 0.000 0.447 301 W N 2.970 124.303 121.300 0.055 0.000 2.438 301 W HA 0.494 5.168 4.660 0.024 0.000 0.324 301 W C -0.060 176.409 176.519 -0.083 0.000 1.119 301 W CA 0.059 57.420 57.345 0.028 0.000 1.221 301 W CB 1.360 30.892 29.460 0.121 0.000 1.253 301 W HN 0.615 nan 8.180 nan 0.000 0.555 302 S N 2.887 118.021 115.700 -0.944 0.000 2.643 302 S HA 0.638 5.123 4.470 0.025 0.000 0.270 302 S C 0.111 173.909 174.600 -1.336 0.000 1.166 302 S CA -0.364 57.318 58.200 -0.863 0.000 0.815 302 S CB 1.094 64.099 63.200 -0.325 0.000 1.139 302 S HN 1.022 nan 8.310 nan 0.000 0.472 303 A N 0.419 122.629 122.820 -1.018 0.000 2.015 303 A HA 0.056 4.390 4.320 0.025 0.000 0.219 303 A C 1.763 179.023 177.584 -0.540 0.000 1.163 303 A CA 1.426 52.892 52.037 -0.951 0.000 0.646 303 A CB -0.945 17.392 19.000 -1.105 0.000 0.806 303 A HN 0.861 nan 8.150 nan 0.000 0.448 304 E N -0.778 119.239 120.200 -0.305 0.000 2.072 304 E HA 0.036 4.401 4.350 0.025 0.000 0.190 304 E C -0.248 176.211 176.600 -0.235 0.000 0.982 304 E CA 0.720 57.002 56.400 -0.198 0.000 0.803 304 E CB 0.003 29.727 29.700 0.039 0.000 0.755 304 E HN 0.606 nan 8.360 nan 0.000 0.453 305 I N 1.724 122.131 120.570 -0.271 0.000 2.560 305 I HA 0.156 4.340 4.170 0.025 0.000 0.278 305 I C -2.520 173.372 176.117 -0.375 0.000 1.089 305 I CA -1.900 59.261 61.300 -0.232 0.000 1.086 305 I CB 2.341 40.257 38.000 -0.140 0.000 1.202 305 I HN -0.216 nan 8.210 nan 0.000 0.471 306 P HA 0.109 nan 4.420 nan 0.000 0.220 306 P C -0.653 176.620 177.300 -0.045 0.000 1.806 306 P CA -0.324 62.468 63.100 -0.512 0.000 0.976 306 P CB -0.214 31.347 31.700 -0.232 0.000 1.952 307 N N 1.856 120.553 118.700 -0.004 0.000 2.447 307 N HA 0.110 4.864 4.740 0.025 0.000 0.263 307 N C 0.106 175.817 175.510 0.336 0.000 1.226 307 N CA 0.521 53.643 53.050 0.120 0.000 0.906 307 N CB 0.728 39.289 38.487 0.122 0.000 1.060 307 N HN 0.315 nan 8.380 nan 0.000 0.468 308 L N 2.330 123.680 121.223 0.211 0.000 2.354 308 L HA 0.487 4.842 4.340 0.025 0.000 0.264 308 L C -0.745 176.200 176.870 0.124 0.000 1.008 308 L CA -0.878 54.139 54.840 0.294 0.000 0.819 308 L CB 1.263 43.462 42.059 0.233 0.000 1.339 308 L HN 0.381 nan 8.230 nan 0.000 0.420 309 Y N 0.192 120.644 120.300 0.253 0.000 2.650 309 Y HA 0.663 5.228 4.550 0.025 0.000 0.331 309 Y C -0.209 175.811 175.900 0.200 0.000 1.082 309 Y CA -0.870 57.379 58.100 0.248 0.000 1.171 309 Y CB 1.578 40.250 38.460 0.353 0.000 1.326 309 Y HN 0.370 nan 8.280 nan 0.000 0.513 310 R N 0.938 121.671 120.500 0.387 0.000 2.480 310 R HA 0.793 5.148 4.340 0.025 0.000 0.306 310 R C -1.651 174.834 176.300 0.308 0.000 0.958 310 R CA -0.525 55.738 56.100 0.272 0.000 0.861 310 R CB 1.099 31.504 30.300 0.174 0.000 1.171 310 R HN 0.742 nan 8.270 nan 0.000 0.445 311 A N 3.856 126.800 122.820 0.207 0.000 2.276 311 A HA 0.620 4.955 4.320 0.025 0.000 0.316 311 A C -0.983 176.652 177.584 0.084 0.000 1.229 311 A CA -0.608 51.522 52.037 0.155 0.000 0.851 311 A CB 1.174 20.230 19.000 0.094 0.000 1.165 311 A HN 0.485 nan 8.150 nan 0.000 0.513 312 V N 3.482 123.454 119.914 0.096 0.000 2.448 312 V HA 0.377 4.512 4.120 0.025 0.000 0.295 312 V C -0.390 175.674 176.094 -0.050 0.000 1.025 312 V CA -0.494 61.806 62.300 -0.000 0.000 0.859 312 V CB 1.715 33.566 31.823 0.047 0.000 0.988 312 V HN 0.620 nan 8.190 nan 0.000 0.431 313 V N 4.871 124.685 119.914 -0.165 0.000 2.328 313 V HA 0.418 4.552 4.120 0.025 0.000 0.278 313 V C -0.032 176.002 176.094 -0.101 0.000 1.021 313 V CA -0.547 61.636 62.300 -0.194 0.000 0.838 313 V CB 1.165 32.716 31.823 -0.454 0.000 0.999 313 V HN 0.911 nan 8.190 nan 0.000 0.447 314 E N 3.839 124.031 120.200 -0.013 0.000 2.151 314 E HA 0.500 4.865 4.350 0.025 0.000 0.275 314 E C -1.003 175.681 176.600 0.141 0.000 0.936 314 E CA -0.889 55.548 56.400 0.061 0.000 0.777 314 E CB 2.579 32.328 29.700 0.081 0.000 1.108 314 E HN 0.480 nan 8.360 nan 0.000 0.401 315 L N 4.600 125.889 121.223 0.109 0.000 2.264 315 L HA 0.384 4.739 4.340 0.025 0.000 0.289 315 L C -0.910 176.064 176.870 0.173 0.000 1.044 315 L CA 0.189 55.089 54.840 0.100 0.000 0.807 315 L CB 0.050 42.158 42.059 0.083 0.000 1.192 315 L HN 0.675 nan 8.230 nan 0.000 0.425 316 H N 0.239 119.342 119.070 0.055 0.000 2.928 316 H HA 0.805 5.376 4.556 0.025 0.000 0.285 316 H C -0.766 174.625 175.328 0.105 0.000 1.438 316 H CA -0.534 55.551 56.048 0.061 0.000 1.176 316 H CB 0.793 30.572 29.762 0.029 0.000 1.864 316 H HN 0.514 nan 8.280 nan 0.000 0.567 317 T N -2.323 112.364 114.554 0.221 0.000 2.944 317 T HA 0.564 4.928 4.350 0.025 0.000 0.284 317 T C 1.361 176.186 174.700 0.207 0.000 1.010 317 T CA -0.423 61.786 62.100 0.182 0.000 1.025 317 T CB 1.578 70.501 68.868 0.092 0.000 1.079 317 T HN 0.922 nan 8.240 nan 0.000 0.516 318 A N 1.099 124.010 122.820 0.151 0.000 2.024 318 A HA -0.086 4.248 4.320 0.025 0.000 0.220 318 A C 1.802 179.450 177.584 0.106 0.000 1.164 318 A CA 1.859 53.972 52.037 0.127 0.000 0.643 318 A CB -1.100 17.966 19.000 0.110 0.000 0.806 318 A HN 0.987 nan 8.150 nan 0.000 0.451 319 D N -2.517 117.923 120.400 0.066 0.000 2.349 319 D HA 0.287 4.942 4.640 0.025 0.000 0.224 319 D C 1.116 177.441 176.300 0.043 0.000 1.029 319 D CA 1.003 55.023 54.000 0.034 0.000 0.879 319 D CB -0.418 40.375 40.800 -0.011 0.000 0.906 319 D HN 0.777 nan 8.370 nan 0.000 0.528 320 G N -0.895 107.961 108.800 0.094 0.000 2.179 320 G HA2 -0.222 3.753 3.960 0.025 0.000 0.220 320 G HA3 -0.222 3.753 3.960 0.025 0.000 0.220 320 G C 0.262 175.186 174.900 0.040 0.000 0.990 320 G CA 0.077 45.205 45.100 0.048 0.000 0.646 320 G HN 0.419 nan 8.290 nan 0.000 0.517 321 T N 1.855 116.447 114.554 0.064 0.000 2.814 321 T HA 0.495 4.860 4.350 0.025 0.000 0.297 321 T C 0.333 175.088 174.700 0.092 0.000 0.956 321 T CA -0.140 61.988 62.100 0.047 0.000 1.123 321 T CB 2.003 70.886 68.868 0.024 0.000 0.902 321 T HN 0.553 nan 8.240 nan 0.000 0.528 322 L N 4.399 125.656 121.223 0.058 0.000 2.380 322 L HA 0.343 4.697 4.340 0.025 0.000 0.273 322 L C 0.752 177.670 176.870 0.080 0.000 1.138 322 L CA 0.305 55.194 54.840 0.081 0.000 0.832 322 L CB 0.115 42.193 42.059 0.032 0.000 1.124 322 L HN 0.702 nan 8.230 nan 0.000 0.454 323 I N 2.444 123.074 120.570 0.101 0.000 2.512 323 I HA 0.123 4.308 4.170 0.025 0.000 0.247 323 I C 0.272 176.415 176.117 0.042 0.000 1.094 323 I CA 0.464 61.806 61.300 0.070 0.000 1.427 323 I CB 0.178 38.224 38.000 0.078 0.000 1.149 323 I HN 0.816 nan 8.210 nan 0.000 0.438 324 E N 0.008 120.234 120.200 0.044 0.000 2.422 324 E HA 0.718 5.082 4.350 0.025 0.000 0.280 324 E C -1.471 175.151 176.600 0.037 0.000 1.091 324 E CA -1.120 55.297 56.400 0.028 0.000 0.849 324 E CB 1.671 31.356 29.700 -0.025 0.000 1.353 324 E HN -0.031 nan 8.360 nan 0.000 0.449 325 A N 0.962 123.825 122.820 0.072 0.000 2.414 325 A HA 0.702 5.037 4.320 0.025 0.000 0.306 325 A C -1.044 176.636 177.584 0.161 0.000 1.054 325 A CA -0.725 51.356 52.037 0.073 0.000 0.724 325 A CB 1.681 20.718 19.000 0.062 0.000 1.267 325 A HN 0.492 nan 8.150 nan 0.000 0.418 326 E N -0.304 119.920 120.200 0.039 0.000 2.378 326 E HA 0.848 5.212 4.350 0.025 0.000 0.265 326 E C -0.545 176.074 176.600 0.033 0.000 0.932 326 E CA -0.511 55.965 56.400 0.126 0.000 0.795 326 E CB 2.411 32.061 29.700 -0.084 0.000 1.296 326 E HN 1.188 nan 8.360 nan 0.000 0.438 327 A N -0.060 122.896 122.820 0.228 0.000 2.601 327 A HA 0.729 5.064 4.320 0.025 0.000 0.291 327 A C -1.110 176.662 177.584 0.312 0.000 1.075 327 A CA -0.431 51.676 52.037 0.117 0.000 0.671 327 A CB 0.720 19.723 19.000 0.006 0.000 1.277 327 A HN 0.846 nan 8.150 nan 0.000 0.417 328 C N -0.637 118.800 119.300 0.227 0.000 3.311 328 C HA 0.812 5.287 4.460 0.025 0.000 0.325 328 C C -1.299 173.790 174.990 0.165 0.000 1.352 328 C CA -0.964 58.200 59.018 0.244 0.000 1.308 328 C CB 1.099 29.004 27.740 0.275 0.000 1.619 328 C HN 0.814 nan 8.230 nan 0.000 0.469 329 D N 0.962 121.446 120.400 0.141 0.000 2.302 329 D HA 0.533 5.188 4.640 0.025 0.000 0.248 329 D C -0.395 175.965 176.300 0.100 0.000 1.094 329 D CA 0.203 54.285 54.000 0.136 0.000 0.897 329 D CB 1.815 42.697 40.800 0.138 0.000 1.200 329 D HN 0.534 nan 8.370 nan 0.000 0.429 330 V N 1.139 121.137 119.914 0.141 0.000 2.540 330 V HA 0.651 4.786 4.120 0.025 0.000 0.302 330 V C 0.563 176.734 176.094 0.129 0.000 1.035 330 V CA -0.835 61.497 62.300 0.053 0.000 0.873 330 V CB 2.024 33.853 31.823 0.011 0.000 0.992 330 V HN 0.607 nan 8.190 nan 0.000 0.428 331 G N 2.988 111.764 108.800 -0.040 0.000 2.478 331 G HA2 0.621 4.596 3.960 0.025 0.000 0.317 331 G HA3 0.621 4.596 3.960 0.025 0.000 0.317 331 G C -1.062 173.921 174.900 0.139 0.000 1.259 331 G CA -0.415 44.763 45.100 0.131 0.000 0.933 331 G HN 0.422 nan 8.290 nan 0.000 0.478 332 F N 3.969 124.126 119.950 0.345 0.000 2.434 332 F HA 0.443 4.984 4.527 0.024 0.000 0.358 332 F C 1.113 177.182 175.800 0.448 0.000 1.136 332 F CA -0.194 58.068 58.000 0.436 0.000 1.157 332 F CB 0.647 39.913 39.000 0.444 0.000 1.167 332 F HN 0.432 nan 8.300 nan 0.000 0.539 333 R N 3.049 123.855 120.500 0.510 0.000 2.629 333 R HA 0.426 4.780 4.340 0.025 0.000 0.266 333 R C -1.826 174.642 176.300 0.281 0.000 1.051 333 R CA -0.760 55.483 56.100 0.237 0.000 0.895 333 R CB 1.633 32.115 30.300 0.303 0.000 1.246 333 R HN 0.589 nan 8.270 nan 0.000 0.459 334 E N 2.174 122.442 120.200 0.114 0.000 2.199 334 E HA 0.496 4.861 4.350 0.025 0.000 0.269 334 E C -1.253 175.424 176.600 0.129 0.000 0.899 334 E CA -0.951 55.590 56.400 0.235 0.000 0.772 334 E CB 2.179 32.084 29.700 0.343 0.000 1.155 334 E HN 0.404 nan 8.360 nan 0.000 0.408 335 V N 5.349 125.333 119.914 0.116 0.000 2.444 335 V HA 0.559 4.694 4.120 0.025 0.000 0.294 335 V C -0.284 175.853 176.094 0.072 0.000 1.022 335 V CA -0.708 61.631 62.300 0.064 0.000 0.850 335 V CB 1.186 33.024 31.823 0.026 0.000 0.992 335 V HN 0.730 nan 8.190 nan 0.000 0.426 336 R N 4.176 124.715 120.500 0.064 0.000 2.739 336 R HA 0.758 5.113 4.340 0.025 0.000 0.271 336 R C -1.941 174.388 176.300 0.048 0.000 1.010 336 R CA -0.950 55.190 56.100 0.066 0.000 0.897 336 R CB 2.119 32.472 30.300 0.088 0.000 1.236 336 R HN 0.504 nan 8.270 nan 0.000 0.466 337 I N 1.310 121.909 120.570 0.047 0.000 2.339 337 I HA 0.331 4.516 4.170 0.025 0.000 0.290 337 I C -0.585 175.556 176.117 0.040 0.000 0.994 337 I CA -0.440 60.882 61.300 0.036 0.000 1.191 337 I CB 1.814 39.836 38.000 0.037 0.000 1.343 337 I HN 0.702 nan 8.210 nan 0.000 0.458 338 E N 5.538 125.758 120.200 0.033 0.000 2.275 338 E HA 0.274 4.639 4.350 0.025 0.000 0.270 338 E C -0.150 176.465 176.600 0.024 0.000 0.882 338 E CA -0.542 55.879 56.400 0.035 0.000 0.758 338 E CB 1.019 30.745 29.700 0.044 0.000 1.195 338 E HN 0.497 nan 8.360 nan 0.000 0.419 339 N N 3.348 122.062 118.700 0.023 0.000 2.721 339 N HA -0.246 4.509 4.740 0.025 0.000 0.249 339 N C 0.470 175.987 175.510 0.011 0.000 1.072 339 N CA 2.061 55.121 53.050 0.017 0.000 0.710 339 N CB -1.145 37.351 38.487 0.015 0.000 0.993 339 N HN 0.973 nan 8.380 nan 0.000 0.547 340 G N -2.342 106.465 108.800 0.012 0.000 2.176 340 G HA2 -0.278 3.697 3.960 0.025 0.000 0.253 340 G HA3 -0.278 3.697 3.960 0.025 0.000 0.253 340 G C -0.108 174.788 174.900 -0.006 0.000 0.979 340 G CA 0.465 45.568 45.100 0.005 0.000 0.641 340 G HN 0.464 nan 8.290 nan 0.000 0.530 341 L N 0.131 121.351 121.223 -0.005 0.000 2.346 341 L HA 0.687 5.042 4.340 0.025 0.000 0.276 341 L C 0.134 176.994 176.870 -0.017 0.000 1.006 341 L CA -1.315 53.513 54.840 -0.020 0.000 0.817 341 L CB 1.872 43.918 42.059 -0.020 0.000 1.272 341 L HN 0.095 nan 8.230 nan 0.000 0.421 342 L N 4.759 125.961 121.223 -0.036 0.000 2.315 342 L HA 0.406 4.761 4.340 0.025 0.000 0.283 342 L C -0.769 176.076 176.870 -0.042 0.000 1.089 342 L CA 0.430 55.248 54.840 -0.035 0.000 0.833 342 L CB 0.206 42.230 42.059 -0.059 0.000 1.170 342 L HN 0.390 nan 8.230 nan 0.000 0.442 343 L N 5.920 127.136 121.223 -0.012 0.000 2.325 343 L HA 0.549 4.904 4.340 0.025 0.000 0.278 343 L C -0.720 176.153 176.870 0.005 0.000 1.023 343 L CA -0.803 54.037 54.840 -0.000 0.000 0.811 343 L CB 1.831 43.912 42.059 0.037 0.000 1.249 343 L HN 0.548 nan 8.230 nan 0.000 0.431 344 L N 3.704 124.938 121.223 0.017 0.000 2.349 344 L HA 0.486 4.841 4.340 0.025 0.000 0.278 344 L C -0.207 176.681 176.870 0.029 0.000 0.996 344 L CA -0.069 54.795 54.840 0.040 0.000 0.825 344 L CB 0.937 43.032 42.059 0.061 0.000 1.243 344 L HN 0.614 nan 8.230 nan 0.000 0.412 345 N N 3.975 122.543 118.700 -0.221 0.000 2.721 345 N HA -0.217 4.538 4.740 0.025 0.000 0.249 345 N C 0.905 175.992 175.510 -0.705 0.000 1.072 345 N CA 1.354 53.903 53.050 -0.836 0.000 0.710 345 N CB -1.360 36.606 38.487 -0.869 0.000 0.993 345 N HN 1.176 nan 8.380 nan 0.000 0.547 346 G N -1.972 106.731 108.800 -0.163 0.000 2.168 346 G HA2 -0.360 3.615 3.960 0.025 0.000 0.263 346 G HA3 -0.360 3.615 3.960 0.025 0.000 0.263 346 G C -0.093 174.829 174.900 0.037 0.000 0.977 346 G CA 0.916 46.058 45.100 0.071 0.000 0.659 346 G HN 0.406 nan 8.290 nan 0.000 0.533 347 K N 0.648 121.058 120.400 0.017 0.000 2.207 347 K HA 0.531 4.866 4.320 0.025 0.000 0.255 347 K C -2.700 173.867 176.600 -0.054 0.000 0.941 347 K CA -2.377 53.886 56.287 -0.040 0.000 0.825 347 K CB 2.426 34.824 32.500 -0.170 0.000 1.119 347 K HN 0.071 nan 8.250 nan 0.000 0.430 348 P HA 0.193 nan 4.420 nan 0.000 0.276 348 P C -0.108 177.125 177.300 -0.112 0.000 1.253 348 P CA -0.243 62.809 63.100 -0.080 0.000 0.766 348 P CB 0.540 32.197 31.700 -0.072 0.000 0.845 349 L N 3.440 124.592 121.223 -0.118 0.000 2.464 349 L HA 0.265 4.620 4.340 0.025 0.000 0.264 349 L C 0.708 177.497 176.870 -0.134 0.000 1.199 349 L CA -0.577 54.182 54.840 -0.134 0.000 0.818 349 L CB 0.273 42.209 42.059 -0.205 0.000 1.102 349 L HN 0.277 nan 8.230 nan 0.000 0.473 350 L N 3.465 124.628 121.223 -0.101 0.000 2.388 350 L HA 0.422 4.777 4.340 0.025 0.000 0.267 350 L C -0.535 176.293 176.870 -0.070 0.000 0.995 350 L CA -0.180 54.588 54.840 -0.120 0.000 0.864 350 L CB 0.877 42.897 42.059 -0.066 0.000 1.216 350 L HN 0.243 nan 8.230 nan 0.000 0.430 351 I N 4.997 125.456 120.570 -0.185 0.000 2.379 351 I HA 0.215 4.400 4.170 0.025 0.000 0.290 351 I C 0.501 176.590 176.117 -0.047 0.000 1.063 351 I CA 0.122 61.324 61.300 -0.163 0.000 1.351 351 I CB 0.518 38.288 38.000 -0.384 0.000 1.410 351 I HN 0.571 nan 8.210 nan 0.000 0.505 352 R N 4.819 125.374 120.500 0.091 0.000 2.666 352 R HA 0.455 4.810 4.340 0.025 0.000 0.275 352 R C 0.436 176.865 176.300 0.216 0.000 1.266 352 R CA -0.281 55.916 56.100 0.162 0.000 1.401 352 R CB 1.018 31.235 30.300 -0.138 0.000 1.145 352 R HN 0.783 nan 8.270 nan 0.000 0.581 353 G N 0.138 109.048 108.800 0.184 0.000 2.597 353 G HA2 0.612 4.587 3.960 0.025 0.000 0.317 353 G HA3 0.612 4.587 3.960 0.025 0.000 0.317 353 G C -1.336 173.900 174.900 0.560 0.000 1.230 353 G CA -0.472 44.755 45.100 0.211 0.000 0.996 353 G HN 0.225 nan 8.290 nan 0.000 0.490 354 V N -0.135 120.061 119.914 0.471 0.000 3.012 354 V HA 0.466 4.601 4.120 0.025 0.000 0.307 354 V C -1.148 175.071 176.094 0.208 0.000 1.166 354 V CA -1.202 61.251 62.300 0.255 0.000 0.974 354 V CB 2.211 33.891 31.823 -0.239 0.000 1.040 354 V HN 0.764 nan 8.190 nan 0.000 0.428 355 N N 4.228 122.963 118.700 0.059 0.000 2.529 355 N HA 0.438 5.193 4.740 0.025 0.000 0.278 355 N C -0.717 174.566 175.510 -0.378 0.000 1.146 355 N CA -0.290 52.636 53.050 -0.207 0.000 0.980 355 N CB 1.427 39.687 38.487 -0.378 0.000 1.124 355 N HN 0.624 nan 8.380 nan 0.000 0.458 356 R N 2.142 122.388 120.500 -0.423 0.000 2.518 356 R HA 0.188 4.542 4.340 0.025 0.000 0.296 356 R C -0.919 175.106 176.300 -0.458 0.000 1.080 356 R CA -0.549 55.327 56.100 -0.373 0.000 0.922 356 R CB 0.683 30.761 30.300 -0.371 0.000 1.184 356 R HN 0.600 nan 8.270 nan 0.000 0.445 357 H N 2.133 121.031 119.070 -0.286 0.000 2.607 357 H HA 0.095 4.666 4.556 0.025 0.000 0.367 357 H C -0.431 174.883 175.328 -0.022 0.000 1.181 357 H CA 0.304 56.285 56.048 -0.110 0.000 1.402 357 H CB 1.266 31.035 29.762 0.012 0.000 1.474 357 H HN 0.546 nan 8.280 nan 0.000 0.596 358 E N 1.872 122.249 120.200 0.295 0.000 2.001 358 E HA 0.113 4.477 4.350 0.025 0.000 0.279 358 E C -0.696 176.060 176.600 0.260 0.000 1.045 358 E CA -0.029 56.476 56.400 0.176 0.000 0.833 358 E CB 0.346 30.169 29.700 0.204 0.000 1.077 358 E HN 0.401 nan 8.360 nan 0.000 0.397 359 H N 1.798 120.935 119.070 0.112 0.000 2.954 359 H HA 0.249 4.819 4.556 0.025 0.000 0.361 359 H C -1.715 173.687 175.328 0.123 0.000 1.122 359 H CA -0.669 55.446 56.048 0.112 0.000 1.217 359 H CB 1.073 30.890 29.762 0.092 0.000 1.776 359 H HN 0.414 nan 8.280 nan 0.000 0.533 360 H N 6.113 124.776 119.070 -0.679 0.000 2.667 360 H HA 0.234 4.805 4.556 0.025 0.000 0.353 360 H C -2.363 172.592 175.328 -0.622 0.000 1.072 360 H CA -2.464 53.333 56.048 -0.419 0.000 1.214 360 H CB 2.789 32.477 29.762 -0.123 0.000 1.600 360 H HN 0.536 nan 8.280 nan 0.000 0.527 361 P HA -0.053 nan 4.420 nan 0.000 0.223 361 P C 1.095 178.299 177.300 -0.159 0.000 1.151 361 P CA 0.658 63.613 63.100 -0.241 0.000 0.787 361 P CB 0.923 32.519 31.700 -0.174 0.000 0.788 362 L N -1.889 119.352 121.223 0.030 0.000 2.362 362 L HA 0.144 4.499 4.340 0.025 0.000 0.204 362 L C 2.079 178.724 176.870 -0.375 0.000 1.060 362 L CA 0.728 55.438 54.840 -0.217 0.000 0.827 362 L CB -0.574 41.256 42.059 -0.382 0.000 1.027 362 L HN -0.058 nan 8.230 nan 0.000 0.474 363 H N -0.700 118.348 119.070 -0.037 0.000 2.539 363 H HA 0.313 4.884 4.556 0.025 0.000 0.269 363 H C 1.356 176.573 175.328 -0.185 0.000 0.980 363 H CA 0.312 56.235 56.048 -0.208 0.000 1.152 363 H CB 0.307 29.834 29.762 -0.392 0.000 1.407 363 H HN 0.360 nan 8.280 nan 0.000 0.564 364 G N 1.326 110.037 108.800 -0.148 0.000 2.557 364 G HA2 -0.390 3.585 3.960 0.025 0.000 0.292 364 G HA3 -0.390 3.585 3.960 0.025 0.000 0.292 364 G C 0.725 175.546 174.900 -0.131 0.000 1.162 364 G CA 0.373 45.342 45.100 -0.217 0.000 0.964 364 G HN 0.466 nan 8.290 nan 0.000 0.541 365 Q N -0.050 119.704 119.800 -0.077 0.000 2.220 365 Q HA 0.468 4.822 4.340 0.025 0.000 0.205 365 Q C 0.357 176.467 176.000 0.182 0.000 0.865 365 Q CA -0.109 55.699 55.803 0.008 0.000 0.960 365 Q CB 1.306 29.938 28.738 -0.176 0.000 1.097 365 Q HN 0.360 nan 8.270 nan 0.000 0.493 366 V N 1.970 121.960 119.914 0.126 0.000 2.498 366 V HA 0.186 4.321 4.120 0.025 0.000 0.279 366 V C 0.153 176.292 176.094 0.076 0.000 1.048 366 V CA 0.128 62.502 62.300 0.123 0.000 0.967 366 V CB 1.124 32.950 31.823 0.005 0.000 0.988 366 V HN 0.323 nan 8.190 nan 0.000 0.473 367 M N 5.409 125.069 119.600 0.099 0.000 2.436 367 M HA 0.490 4.985 4.480 0.025 0.000 0.331 367 M C -0.530 175.743 176.300 -0.045 0.000 1.135 367 M CA -0.526 54.794 55.300 0.035 0.000 0.987 367 M CB 1.868 34.473 32.600 0.010 0.000 1.687 367 M HN 0.823 nan 8.290 nan 0.000 0.445 368 D N 0.604 120.975 120.400 -0.048 0.000 2.423 368 D HA 0.227 4.882 4.640 0.025 0.000 0.235 368 D C 0.182 176.457 176.300 -0.041 0.000 1.011 368 D CA -0.460 53.504 54.000 -0.059 0.000 0.963 368 D CB 1.805 42.582 40.800 -0.039 0.000 1.349 368 D HN 0.701 nan 8.370 nan 0.000 0.508 369 E N 0.037 120.222 120.200 -0.026 0.000 2.085 369 E HA -0.285 4.080 4.350 0.025 0.000 0.194 369 E C 1.888 178.526 176.600 0.062 0.000 0.994 369 E CA 1.336 57.748 56.400 0.020 0.000 0.801 369 E CB 0.118 29.845 29.700 0.044 0.000 0.743 369 E HN 0.565 nan 8.360 nan 0.000 0.453 370 Q N -0.201 119.638 119.800 0.064 0.000 2.061 370 Q HA -0.185 4.170 4.340 0.025 0.000 0.204 370 Q C 1.947 178.007 176.000 0.101 0.000 0.984 370 Q CA 2.378 58.231 55.803 0.084 0.000 0.846 370 Q CB -0.133 28.656 28.738 0.085 0.000 0.902 370 Q HN 0.272 nan 8.270 nan 0.000 0.421 371 T N 1.021 115.644 114.554 0.115 0.000 2.777 371 T HA -0.114 4.251 4.350 0.025 0.000 0.266 371 T C 1.850 176.629 174.700 0.132 0.000 1.040 371 T CA 1.553 63.738 62.100 0.141 0.000 1.141 371 T CB -0.154 68.830 68.868 0.193 0.000 0.868 371 T HN 0.314 nan 8.240 nan 0.000 0.444 372 M N 0.592 120.268 119.600 0.127 0.000 2.117 372 M HA -0.094 4.401 4.480 0.025 0.000 0.262 372 M C 2.474 178.879 176.300 0.176 0.000 1.065 372 M CA 1.273 56.712 55.300 0.232 0.000 1.114 372 M CB -0.634 32.131 32.600 0.276 0.000 1.361 372 M HN 0.095 nan 8.290 nan 0.000 0.408 373 V N 0.344 120.309 119.914 0.086 0.000 2.287 373 V HA -0.327 3.807 4.120 0.025 0.000 0.248 373 V C 2.336 178.411 176.094 -0.031 0.000 1.053 373 V CA 2.224 64.512 62.300 -0.019 0.000 1.027 373 V CB -0.916 30.938 31.823 0.052 0.000 0.646 373 V HN 0.568 nan 8.190 nan 0.000 0.447 374 Q N -0.368 119.466 119.800 0.057 0.000 2.096 374 Q HA -0.286 4.069 4.340 0.025 0.000 0.204 374 Q C 1.963 178.031 176.000 0.114 0.000 0.982 374 Q CA 2.254 58.109 55.803 0.088 0.000 0.850 374 Q CB -0.148 28.661 28.738 0.118 0.000 0.901 374 Q HN 0.636 nan 8.270 nan 0.000 0.422 375 D N 0.203 120.681 120.400 0.129 0.000 2.097 375 D HA -0.126 4.529 4.640 0.025 0.000 0.197 375 D C 1.914 178.136 176.300 -0.130 0.000 0.984 375 D CA 1.099 55.160 54.000 0.103 0.000 0.826 375 D CB -0.191 40.647 40.800 0.063 0.000 0.973 375 D HN 0.354 nan 8.370 nan 0.000 0.460 376 I N 0.642 121.137 120.570 -0.126 0.000 2.208 376 I HA -0.242 3.943 4.170 0.025 0.000 0.245 376 I C 2.469 178.435 176.117 -0.251 0.000 1.097 376 I CA 0.665 61.790 61.300 -0.291 0.000 1.363 376 I CB -0.151 37.545 38.000 -0.507 0.000 1.051 376 I HN 0.019 nan 8.210 nan 0.000 0.413 377 L N 0.160 121.275 121.223 -0.180 0.000 2.012 377 L HA -0.246 4.109 4.340 0.025 0.000 0.210 377 L C 2.604 179.542 176.870 0.113 0.000 1.073 377 L CA 1.618 56.451 54.840 -0.012 0.000 0.748 377 L CB -0.565 41.509 42.059 0.025 0.000 0.891 377 L HN 0.304 nan 8.230 nan 0.000 0.431 378 L N -1.076 120.236 121.223 0.148 0.000 2.083 378 L HA -0.261 4.094 4.340 0.025 0.000 0.209 378 L C 2.690 179.726 176.870 0.277 0.000 1.083 378 L CA 1.259 56.275 54.840 0.294 0.000 0.752 378 L CB -0.312 42.052 42.059 0.508 0.000 0.899 378 L HN 0.290 nan 8.230 nan 0.000 0.433 379 M N -0.510 119.061 119.600 -0.048 0.000 2.065 379 M HA -0.270 4.224 4.480 0.025 0.000 0.259 379 M C 2.333 178.728 176.300 0.158 0.000 1.071 379 M CA 1.954 57.167 55.300 -0.146 0.000 1.109 379 M CB -0.403 31.895 32.600 -0.503 0.000 1.313 379 M HN 0.070 nan 8.290 nan 0.000 0.408 380 K N -0.032 120.362 120.400 -0.010 0.000 2.063 380 K HA -0.207 4.128 4.320 0.025 0.000 0.208 380 K C 1.967 178.579 176.600 0.019 0.000 1.048 380 K CA 1.504 57.684 56.287 -0.178 0.000 0.928 380 K CB -0.313 31.889 32.500 -0.498 0.000 0.713 380 K HN 0.480 nan 8.250 nan 0.000 0.442 381 Q N 0.351 120.334 119.800 0.304 0.000 2.291 381 Q HA -0.061 4.294 4.340 0.025 0.000 0.206 381 Q C 0.936 177.250 176.000 0.523 0.000 0.976 381 Q CA 0.778 56.870 55.803 0.482 0.000 0.875 381 Q CB 0.070 29.059 28.738 0.419 0.000 0.927 381 Q HN 0.292 nan 8.270 nan 0.000 0.450 382 N N 0.512 119.467 118.700 0.426 0.000 2.251 382 N HA 0.044 4.798 4.740 0.025 0.000 0.217 382 N C -0.573 175.046 175.510 0.181 0.000 1.124 382 N CA 0.041 53.335 53.050 0.406 0.000 0.843 382 N CB 0.657 39.471 38.487 0.544 0.000 1.024 382 N HN 0.172 nan 8.380 nan 0.000 0.501 383 N N 0.098 118.914 118.700 0.194 0.000 2.782 383 N HA -0.184 4.571 4.740 0.025 0.000 0.251 383 N C -0.865 174.559 175.510 -0.143 0.000 1.101 383 N CA 0.761 53.869 53.050 0.097 0.000 0.764 383 N CB -1.753 36.691 38.487 -0.072 0.000 1.122 383 N HN 0.239 nan 8.380 nan 0.000 0.561 384 F N 1.152 121.128 119.950 0.043 0.000 2.384 384 F HA 0.307 4.848 4.527 0.024 0.000 0.338 384 F C 1.743 177.542 175.800 -0.002 0.000 1.103 384 F CA -0.556 57.452 58.000 0.013 0.000 1.157 384 F CB 0.844 39.826 39.000 -0.029 0.000 1.167 384 F HN 0.042 nan 8.300 nan 0.000 0.529 385 N N 0.750 119.569 118.700 0.197 0.000 2.160 385 N HA 0.445 5.200 4.740 0.025 0.000 0.226 385 N C -0.858 174.715 175.510 0.106 0.000 1.256 385 N CA -0.044 53.053 53.050 0.078 0.000 0.890 385 N CB 0.769 39.334 38.487 0.131 0.000 1.116 385 N HN 0.468 nan 8.380 nan 0.000 0.517 386 A N -0.560 122.395 122.820 0.225 0.000 2.594 386 A HA 0.749 5.083 4.320 0.025 0.000 0.295 386 A C -1.793 176.032 177.584 0.401 0.000 1.071 386 A CA -0.718 51.521 52.037 0.336 0.000 0.685 386 A CB 1.807 21.018 19.000 0.351 0.000 1.285 386 A HN 0.219 nan 8.150 nan 0.000 0.405 387 V N 1.251 121.444 119.914 0.466 0.000 2.760 387 V HA 0.788 4.922 4.120 0.025 0.000 0.309 387 V C -0.547 175.671 176.094 0.206 0.000 1.077 387 V CA -0.695 61.817 62.300 0.354 0.000 0.910 387 V CB 1.825 33.796 31.823 0.246 0.000 1.008 387 V HN 1.123 nan 8.190 nan 0.000 0.424 388 R N 4.994 125.448 120.500 -0.076 0.000 2.346 388 R HA 0.474 4.829 4.340 0.025 0.000 0.311 388 R C -0.661 175.487 176.300 -0.253 0.000 0.983 388 R CA -0.462 55.405 56.100 -0.388 0.000 0.880 388 R CB 1.118 30.961 30.300 -0.762 0.000 1.100 388 R HN 0.802 nan 8.270 nan 0.000 0.453 389 C N 4.460 123.646 119.300 -0.190 0.000 3.183 389 C HA 0.111 4.586 4.460 0.025 0.000 0.545 389 C C 0.521 175.230 174.990 -0.468 0.000 1.044 389 C CA -0.428 58.429 59.018 -0.267 0.000 1.117 389 C CB -2.125 25.577 27.740 -0.063 0.000 1.393 389 C HN 0.729 nan 8.230 nan 0.000 0.611 390 S N 1.435 116.733 115.700 -0.670 0.000 2.481 390 S HA 0.161 4.646 4.470 0.025 0.000 0.282 390 S C -0.186 173.535 174.600 -1.464 0.000 1.243 390 S CA 0.201 57.763 58.200 -1.064 0.000 1.078 390 S CB 0.107 62.631 63.200 -1.126 0.000 0.916 390 S HN 0.722 nan 8.310 nan 0.000 0.495 391 H N 3.919 122.429 119.070 -0.933 0.000 2.429 391 H HA 0.345 4.916 4.556 0.024 0.000 0.231 391 H C -1.156 174.058 175.328 -0.190 0.000 1.416 391 H CA -0.354 55.499 56.048 -0.325 0.000 1.443 391 H CB -0.072 29.698 29.762 0.015 0.000 1.591 391 H HN 0.891 nan 8.280 nan 0.000 0.507 392 Y N -2.380 118.029 120.300 0.182 0.000 2.765 392 Y HA 0.351 4.916 4.550 0.025 0.000 0.350 392 Y C -3.345 172.667 175.900 0.186 0.000 1.196 392 Y CA -2.952 55.264 58.100 0.193 0.000 1.119 392 Y CB -0.035 38.545 38.460 0.199 0.000 1.368 392 Y HN -0.024 nan 8.280 nan 0.000 0.463 393 P HA 0.154 nan 4.420 nan 0.000 0.268 393 P C -0.583 177.015 177.300 0.496 0.000 1.205 393 P CA 0.135 63.495 63.100 0.433 0.000 0.771 393 P CB 0.582 32.467 31.700 0.309 0.000 0.858 394 N N 0.598 119.601 118.700 0.506 0.000 2.458 394 N HA 0.080 4.835 4.740 0.025 0.000 0.271 394 N C 0.146 175.905 175.510 0.415 0.000 1.210 394 N CA -0.561 52.704 53.050 0.358 0.000 0.978 394 N CB 0.343 38.840 38.487 0.018 0.000 1.206 394 N HN 0.604 nan 8.380 nan 0.000 0.536 395 H N 2.223 121.399 119.070 0.178 0.000 3.064 395 H HA -0.018 4.553 4.556 0.024 0.000 0.329 395 H C -1.610 173.887 175.328 0.282 0.000 1.020 395 H CA -0.695 55.443 56.048 0.150 0.000 1.402 395 H CB 0.946 30.761 29.762 0.089 0.000 1.379 395 H HN 0.439 nan 8.280 nan 0.000 0.594 396 P HA -0.204 nan 4.420 nan 0.000 0.216 396 P C 1.863 179.493 177.300 0.550 0.000 1.150 396 P CA 0.737 64.118 63.100 0.468 0.000 0.843 396 P CB 0.209 32.040 31.700 0.219 0.000 0.787 397 L N -0.972 120.644 121.223 0.654 0.000 2.191 397 L HA -0.064 4.291 4.340 0.025 0.000 0.212 397 L C 2.409 179.425 176.870 0.244 0.000 1.103 397 L CA 1.403 56.454 54.840 0.351 0.000 0.769 397 L CB -1.388 40.783 42.059 0.187 0.000 0.908 397 L HN 0.030 nan 8.230 nan 0.000 0.438 398 W N -0.526 120.780 121.300 0.010 0.000 2.318 398 W HA -0.340 4.334 4.660 0.024 0.000 0.313 398 W C 2.070 178.433 176.519 -0.260 0.000 1.221 398 W CA 1.961 59.190 57.345 -0.195 0.000 1.266 398 W CB -0.398 28.850 29.460 -0.354 0.000 1.150 398 W HN 0.263 nan 8.180 nan 0.000 0.496 399 Y N 0.779 120.986 120.300 -0.154 0.000 2.242 399 Y HA -0.219 4.345 4.550 0.024 0.000 0.291 399 Y C 2.866 178.528 175.900 -0.397 0.000 1.137 399 Y CA 2.168 59.967 58.100 -0.503 0.000 1.181 399 Y CB -1.210 36.615 38.460 -1.058 0.000 0.989 399 Y HN -0.213 nan 8.280 nan 0.000 0.527 400 T N 0.685 115.241 114.554 0.004 0.000 2.684 400 T HA -0.191 4.174 4.350 0.025 0.000 0.267 400 T C 1.969 176.696 174.700 0.046 0.000 1.036 400 T CA 1.531 63.711 62.100 0.135 0.000 1.148 400 T CB -0.546 68.448 68.868 0.210 0.000 0.863 400 T HN 0.247 nan 8.240 nan 0.000 0.436 401 L N 0.202 121.406 121.223 -0.031 0.000 2.093 401 L HA -0.065 4.289 4.340 0.025 0.000 0.208 401 L C 2.828 179.666 176.870 -0.053 0.000 1.085 401 L CA 0.777 55.623 54.840 0.010 0.000 0.755 401 L CB -0.600 41.441 42.059 -0.030 0.000 0.904 401 L HN 0.383 nan 8.230 nan 0.000 0.435 402 C N -0.250 118.854 119.300 -0.326 0.000 2.435 402 C HA -0.122 4.353 4.460 0.025 0.000 0.279 402 C C 2.365 177.393 174.990 0.063 0.000 1.321 402 C CA 0.320 59.186 59.018 -0.253 0.000 1.752 402 C CB -0.729 26.744 27.740 -0.446 0.000 1.959 402 C HN 0.530 nan 8.230 nan 0.000 0.500 403 D N 0.523 120.966 120.400 0.071 0.000 2.144 403 D HA -0.087 4.568 4.640 0.025 0.000 0.199 403 D C 2.376 178.876 176.300 0.334 0.000 0.984 403 D CA 1.141 55.264 54.000 0.206 0.000 0.834 403 D CB -0.299 40.580 40.800 0.132 0.000 0.955 403 D HN 0.536 nan 8.370 nan 0.000 0.465 404 R N -1.129 119.460 120.500 0.149 0.000 2.140 404 R HA 0.055 4.409 4.340 0.025 0.000 0.213 404 R C 1.907 178.169 176.300 -0.063 0.000 1.059 404 R CA 0.407 56.530 56.100 0.039 0.000 1.000 404 R CB -0.057 30.188 30.300 -0.093 0.000 0.910 404 R HN 0.260 nan 8.270 nan 0.000 0.455 405 Y N 0.003 120.311 120.300 0.014 0.000 2.448 405 Y HA 0.191 4.756 4.550 0.024 0.000 0.289 405 Y C 0.960 176.791 175.900 -0.115 0.000 1.114 405 Y CA 0.714 58.794 58.100 -0.033 0.000 1.235 405 Y CB 0.795 39.208 38.460 -0.079 0.000 1.045 405 Y HN 0.208 nan 8.280 nan 0.000 0.554 406 G N 1.256 110.093 108.800 0.061 0.000 2.830 406 G HA2 -0.145 3.829 3.960 0.025 0.000 0.298 406 G HA3 -0.145 3.829 3.960 0.025 0.000 0.298 406 G C -1.188 173.575 174.900 -0.228 0.000 1.031 406 G CA -0.565 44.453 45.100 -0.137 0.000 1.179 406 G HN 0.160 nan 8.290 nan 0.000 0.527 407 L N 1.004 122.169 121.223 -0.097 0.000 2.445 407 L HA 0.515 4.870 4.340 0.025 0.000 0.262 407 L C -0.054 176.840 176.870 0.041 0.000 0.974 407 L CA -1.315 53.431 54.840 -0.157 0.000 0.822 407 L CB 2.025 44.010 42.059 -0.123 0.000 1.339 407 L HN 0.457 nan 8.230 nan 0.000 0.409 408 Y N 1.647 122.085 120.300 0.230 0.000 2.319 408 Y HA 0.412 4.978 4.550 0.027 0.000 0.328 408 Y C 0.172 176.207 175.900 0.225 0.000 1.133 408 Y CA -0.713 57.555 58.100 0.280 0.000 1.265 408 Y CB 1.370 39.975 38.460 0.241 0.000 1.218 408 Y HN 0.149 nan 8.280 nan 0.000 0.508 409 V N 4.277 124.384 119.914 0.321 0.000 2.604 409 V HA 0.316 4.451 4.120 0.025 0.000 0.305 409 V C -0.584 175.595 176.094 0.142 0.000 1.043 409 V CA -1.018 61.411 62.300 0.215 0.000 0.888 409 V CB 1.943 33.855 31.823 0.147 0.000 0.995 409 V HN 0.460 nan 8.190 nan 0.000 0.429 410 V N 3.255 123.217 119.914 0.080 0.000 2.350 410 V HA 0.331 4.466 4.120 0.025 0.000 0.276 410 V C -0.317 175.816 176.094 0.064 0.000 1.028 410 V CA -0.327 61.971 62.300 -0.002 0.000 0.860 410 V CB 1.473 33.188 31.823 -0.181 0.000 0.990 410 V HN 0.884 nan 8.190 nan 0.000 0.453 411 D N 4.252 124.735 120.400 0.138 0.000 2.274 411 D HA 0.335 4.990 4.640 0.025 0.000 0.239 411 D C -0.287 176.219 176.300 0.343 0.000 1.104 411 D CA -0.130 54.055 54.000 0.309 0.000 0.840 411 D CB 1.321 42.352 40.800 0.383 0.000 1.100 411 D HN 0.690 nan 8.370 nan 0.000 0.477 412 E N 2.081 122.443 120.200 0.270 0.000 2.199 412 E HA 0.617 4.982 4.350 0.025 0.000 0.265 412 E C -1.028 175.716 176.600 0.240 0.000 0.882 412 E CA -1.033 55.508 56.400 0.235 0.000 0.759 412 E CB 1.336 31.127 29.700 0.152 0.000 1.148 412 E HN 0.461 nan 8.360 nan 0.000 0.412 413 A N 3.881 126.833 122.820 0.221 0.000 2.466 413 A HA 0.062 4.396 4.320 0.025 0.000 0.238 413 A C 0.348 178.061 177.584 0.216 0.000 1.074 413 A CA -0.223 51.924 52.037 0.184 0.000 0.774 413 A CB 0.158 19.230 19.000 0.119 0.000 1.015 413 A HN 0.712 nan 8.150 nan 0.000 0.498 414 N N 1.102 119.936 118.700 0.224 0.000 3.050 414 N HA 0.255 5.010 4.740 0.025 0.000 0.289 414 N C -1.050 174.594 175.510 0.223 0.000 1.209 414 N CA 0.240 53.457 53.050 0.277 0.000 1.154 414 N CB -0.844 37.807 38.487 0.274 0.000 1.444 414 N HN 0.472 nan 8.380 nan 0.000 0.529 415 I N 1.020 121.717 120.570 0.211 0.000 2.497 415 I HA 0.265 4.449 4.170 0.025 0.000 0.284 415 I C -0.627 175.599 176.117 0.182 0.000 1.060 415 I CA -0.609 60.798 61.300 0.179 0.000 1.071 415 I CB 1.750 39.831 38.000 0.135 0.000 1.216 415 I HN 0.257 nan 8.210 nan 0.000 0.442 416 E N 4.272 124.574 120.200 0.170 0.000 2.287 416 E HA 0.367 4.732 4.350 0.025 0.000 0.274 416 E C -0.578 176.090 176.600 0.114 0.000 0.896 416 E CA -0.491 55.980 56.400 0.117 0.000 0.788 416 E CB 1.660 31.408 29.700 0.080 0.000 1.244 416 E HN 0.581 nan 8.360 nan 0.000 0.408 417 T N 0.675 115.288 114.554 0.098 0.000 3.355 417 T HA 0.157 4.522 4.350 0.025 0.000 0.276 417 T C 0.885 175.639 174.700 0.090 0.000 1.003 417 T CA -0.294 61.892 62.100 0.143 0.000 0.943 417 T CB -0.296 68.637 68.868 0.109 0.000 1.158 417 T HN 0.674 nan 8.240 nan 0.000 0.513 418 H N 1.126 120.108 119.070 -0.146 0.000 2.390 418 H HA -0.063 4.508 4.556 0.026 0.000 0.298 418 H C 2.308 177.519 175.328 -0.195 0.000 1.106 418 H CA 1.391 57.327 56.048 -0.186 0.000 1.297 418 H CB -0.205 29.404 29.762 -0.255 0.000 1.375 418 H HN 0.580 nan 8.280 nan 0.000 0.509 419 G N 0.185 108.870 108.800 -0.191 0.000 2.679 419 G HA2 -0.056 3.919 3.960 0.025 0.000 0.212 419 G HA3 -0.056 3.919 3.960 0.025 0.000 0.212 419 G C 0.508 175.530 174.900 0.203 0.000 1.137 419 G CA -0.091 44.921 45.100 -0.146 0.000 0.787 419 G HN 0.152 nan 8.290 nan 0.000 0.534 420 M N 0.272 120.033 119.600 0.269 0.000 2.198 420 M HA 0.353 4.847 4.480 0.025 0.000 0.315 420 M C -0.385 175.951 176.300 0.061 0.000 1.134 420 M CA -0.315 55.084 55.300 0.165 0.000 1.171 420 M CB 1.384 34.032 32.600 0.081 0.000 1.413 420 M HN -0.206 nan 8.290 nan 0.000 0.467 421 V N 3.343 123.269 119.914 0.020 0.000 2.482 421 V HA 0.379 4.514 4.120 0.025 0.000 0.295 421 V C -2.011 174.073 176.094 -0.016 0.000 1.026 421 V CA -1.256 61.042 62.300 -0.003 0.000 0.856 421 V CB 1.843 33.659 31.823 -0.012 0.000 1.001 421 V HN 0.734 nan 8.190 nan 0.000 0.424 422 P HA 0.290 nan 4.420 nan 0.000 0.279 422 P C 1.004 178.304 177.300 0.000 0.000 1.282 422 P CA -0.572 62.523 63.100 -0.010 0.000 0.788 422 P CB 1.061 32.756 31.700 -0.009 0.000 1.139 423 M N 0.526 120.131 119.600 0.008 0.000 2.202 423 M HA -0.168 4.326 4.480 0.025 0.000 0.262 423 M C 1.212 177.532 176.300 0.034 0.000 1.063 423 M CA 1.822 57.136 55.300 0.022 0.000 1.097 423 M CB -0.459 32.140 32.600 -0.002 0.000 1.382 423 M HN 0.370 nan 8.290 nan 0.000 0.413 424 N N -0.053 118.667 118.700 0.034 0.000 2.313 424 N HA -0.068 4.687 4.740 0.025 0.000 0.207 424 N C 1.102 176.593 175.510 -0.031 0.000 1.141 424 N CA 0.130 53.202 53.050 0.037 0.000 0.830 424 N CB -0.688 37.841 38.487 0.070 0.000 1.008 424 N HN 0.364 nan 8.380 nan 0.000 0.481 425 R N 0.461 120.928 120.500 -0.056 0.000 2.096 425 R HA -0.038 4.317 4.340 0.025 0.000 0.240 425 R C 1.490 177.685 176.300 -0.176 0.000 1.139 425 R CA 1.505 57.545 56.100 -0.100 0.000 0.952 425 R CB -0.073 30.165 30.300 -0.104 0.000 0.854 425 R HN 0.293 nan 8.270 nan 0.000 0.436 426 L N -0.581 120.475 121.223 -0.279 0.000 2.162 426 L HA -0.013 4.342 4.340 0.025 0.000 0.205 426 L C 2.500 179.240 176.870 -0.217 0.000 1.086 426 L CA 1.318 55.875 54.840 -0.471 0.000 0.778 426 L CB -0.479 41.053 42.059 -0.877 0.000 0.928 426 L HN 0.384 nan 8.230 nan 0.000 0.446 427 T N -4.456 110.003 114.554 -0.158 0.000 3.035 427 T HA -0.148 4.217 4.350 0.025 0.000 0.268 427 T C 1.292 175.904 174.700 -0.147 0.000 1.109 427 T CA 1.089 63.079 62.100 -0.184 0.000 1.119 427 T CB -0.181 68.532 68.868 -0.258 0.000 0.900 427 T HN 0.099 nan 8.240 nan 0.000 0.503 428 D N 1.178 121.526 120.400 -0.087 0.000 2.349 428 D HA 0.106 4.760 4.640 0.025 0.000 0.214 428 D C -0.231 176.049 176.300 -0.033 0.000 1.063 428 D CA -0.188 53.771 54.000 -0.068 0.000 0.847 428 D CB -0.086 40.682 40.800 -0.054 0.000 0.933 428 D HN 0.329 nan 8.370 nan 0.000 0.513 429 D N -0.168 120.230 120.400 -0.004 0.000 2.280 429 D HA 0.122 4.777 4.640 0.025 0.000 0.236 429 D C -1.685 174.668 176.300 0.088 0.000 1.082 429 D CA -2.171 51.864 54.000 0.059 0.000 0.834 429 D CB 2.097 42.970 40.800 0.123 0.000 1.100 429 D HN -0.037 nan 8.370 nan 0.000 0.486 430 P HA -0.078 nan 4.420 nan 0.000 0.222 430 P C 0.995 178.297 177.300 0.004 0.000 1.147 430 P CA 0.662 63.772 63.100 0.016 0.000 0.790 430 P CB 0.347 32.044 31.700 -0.003 0.000 0.780 431 R N -1.703 118.808 120.500 0.019 0.000 2.237 431 R HA -0.071 4.283 4.340 0.025 0.000 0.219 431 R C 1.415 177.577 176.300 -0.229 0.000 1.080 431 R CA 1.032 57.075 56.100 -0.094 0.000 0.995 431 R CB -0.483 29.760 30.300 -0.095 0.000 0.875 431 R HN 0.321 nan 8.270 nan 0.000 0.462 432 W N -0.169 121.077 121.300 -0.090 0.000 3.278 432 W HA 0.135 4.809 4.660 0.024 0.000 0.308 432 W C 1.473 177.934 176.519 -0.096 0.000 1.253 432 W CA -0.515 56.776 57.345 -0.089 0.000 1.759 432 W CB 0.007 29.413 29.460 -0.090 0.000 1.093 432 W HN 0.011 nan 8.180 nan 0.000 0.648 433 L N 2.055 123.295 121.223 0.028 0.000 2.046 433 L HA -0.040 4.315 4.340 0.025 0.000 0.208 433 L C -0.706 176.124 176.870 -0.068 0.000 1.077 433 L CA 2.255 57.079 54.840 -0.027 0.000 0.747 433 L CB -1.603 40.432 42.059 -0.039 0.000 0.896 433 L HN -0.235 nan 8.230 nan 0.000 0.432 434 P HA -0.147 nan 4.420 nan 0.000 0.214 434 P C 1.649 178.887 177.300 -0.103 0.000 1.163 434 P CA 2.182 65.213 63.100 -0.115 0.000 0.883 434 P CB -0.225 31.396 31.700 -0.131 0.000 0.788 435 A N -0.961 121.805 122.820 -0.090 0.000 1.883 435 A HA -0.234 4.101 4.320 0.025 0.000 0.217 435 A C 2.245 179.838 177.584 0.015 0.000 1.186 435 A CA 2.211 54.231 52.037 -0.028 0.000 0.624 435 A CB -1.561 17.436 19.000 -0.005 0.000 0.822 435 A HN 0.104 nan 8.150 nan 0.000 0.444 436 M N 0.204 119.825 119.600 0.034 0.000 2.086 436 M HA -0.160 4.334 4.480 0.025 0.000 0.261 436 M C 2.583 178.830 176.300 -0.088 0.000 1.067 436 M CA 1.833 57.132 55.300 -0.002 0.000 1.116 436 M CB -0.445 32.137 32.600 -0.030 0.000 1.348 436 M HN 0.679 nan 8.290 nan 0.000 0.407 437 S N 0.526 116.143 115.700 -0.138 0.000 2.374 437 S HA -0.217 4.268 4.470 0.025 0.000 0.227 437 S C 1.602 176.030 174.600 -0.285 0.000 1.037 437 S CA 1.721 59.771 58.200 -0.250 0.000 1.024 437 S CB -0.713 62.321 63.200 -0.277 0.000 0.861 437 S HN 0.541 nan 8.310 nan 0.000 0.456 438 E N 1.055 121.136 120.200 -0.198 0.000 2.118 438 E HA -0.122 4.243 4.350 0.025 0.000 0.195 438 E C 2.447 178.959 176.600 -0.147 0.000 0.992 438 E CA 1.119 57.412 56.400 -0.179 0.000 0.804 438 E CB -0.176 29.453 29.700 -0.118 0.000 0.741 438 E HN 0.582 nan 8.360 nan 0.000 0.458 439 R N 0.151 120.596 120.500 -0.092 0.000 2.115 439 R HA -0.070 4.285 4.340 0.025 0.000 0.230 439 R C 2.280 178.539 176.300 -0.069 0.000 1.111 439 R CA 0.716 56.794 56.100 -0.036 0.000 0.976 439 R CB 0.024 30.343 30.300 0.032 0.000 0.870 439 R HN 0.024 nan 8.270 nan 0.000 0.445 440 V N 0.130 119.957 119.914 -0.146 0.000 2.331 440 V HA -0.183 3.951 4.120 0.025 0.000 0.242 440 V C 2.492 178.396 176.094 -0.316 0.000 1.034 440 V CA 2.146 64.334 62.300 -0.186 0.000 1.027 440 V CB -0.418 31.286 31.823 -0.198 0.000 0.667 440 V HN 0.514 nan 8.190 nan 0.000 0.457 441 T N -0.631 113.615 114.554 -0.514 0.000 2.746 441 T HA -0.237 4.128 4.350 0.025 0.000 0.267 441 T C 1.926 176.448 174.700 -0.296 0.000 1.039 441 T CA 1.421 63.123 62.100 -0.664 0.000 1.142 441 T CB -0.409 67.863 68.868 -0.993 0.000 0.866 441 T HN 0.395 nan 8.240 nan 0.000 0.444 442 R N 0.174 120.533 120.500 -0.235 0.000 2.189 442 R HA 0.258 4.613 4.340 0.025 0.000 0.218 442 R C 2.590 178.805 176.300 -0.142 0.000 1.074 442 R CA 1.141 57.142 56.100 -0.166 0.000 0.991 442 R CB -0.406 29.806 30.300 -0.146 0.000 0.883 442 R HN 0.491 nan 8.270 nan 0.000 0.457 443 M N 0.460 119.984 119.600 -0.127 0.000 2.156 443 M HA -0.109 4.386 4.480 0.025 0.000 0.264 443 M C 1.759 177.976 176.300 -0.138 0.000 1.067 443 M CA 1.520 56.777 55.300 -0.071 0.000 1.131 443 M CB 0.191 32.787 32.600 -0.006 0.000 1.368 443 M HN -0.038 nan 8.290 nan 0.000 0.416 444 V N 1.088 120.804 119.914 -0.330 0.000 2.343 444 V HA -0.276 3.858 4.120 0.025 0.000 0.247 444 V C 2.238 178.218 176.094 -0.191 0.000 1.051 444 V CA 1.926 63.907 62.300 -0.532 0.000 1.036 444 V CB -0.894 30.591 31.823 -0.562 0.000 0.654 444 V HN 0.588 nan 8.190 nan 0.000 0.451 445 Q N -0.622 119.101 119.800 -0.128 0.000 2.170 445 Q HA -0.216 4.139 4.340 0.025 0.000 0.203 445 Q C 2.457 178.371 176.000 -0.143 0.000 0.976 445 Q CA 1.484 57.223 55.803 -0.108 0.000 0.858 445 Q CB -0.168 28.521 28.738 -0.082 0.000 0.907 445 Q HN 0.529 nan 8.270 nan 0.000 0.433 446 R N 0.223 120.633 120.500 -0.150 0.000 2.100 446 R HA -0.079 4.276 4.340 0.025 0.000 0.220 446 R C 0.447 176.681 176.300 -0.109 0.000 1.091 446 R CA 1.199 57.190 56.100 -0.180 0.000 0.986 446 R CB 0.470 30.666 30.300 -0.175 0.000 0.888 446 R HN 0.131 nan 8.270 nan 0.000 0.444 447 D N -0.440 119.959 120.400 -0.002 0.000 2.433 447 D HA 0.014 4.668 4.640 0.025 0.000 0.211 447 D C 1.115 177.536 176.300 0.202 0.000 1.114 447 D CA 0.063 54.115 54.000 0.085 0.000 0.837 447 D CB 0.372 41.175 40.800 0.006 0.000 0.984 447 D HN 0.335 nan 8.370 nan 0.000 0.505 448 R N 0.422 121.052 120.500 0.216 0.000 2.285 448 R HA 0.050 4.405 4.340 0.025 0.000 0.213 448 R C 0.631 176.948 176.300 0.028 0.000 1.068 448 R CA 0.746 57.000 56.100 0.257 0.000 1.004 448 R CB -0.234 30.154 30.300 0.146 0.000 0.873 448 R HN -0.100 nan 8.270 nan 0.000 0.467 449 N N 0.348 118.989 118.700 -0.099 0.000 2.336 449 N HA 0.006 4.760 4.740 0.025 0.000 0.189 449 N C -0.538 174.845 175.510 -0.212 0.000 1.113 449 N CA 0.212 53.173 53.050 -0.149 0.000 0.858 449 N CB 0.122 38.509 38.487 -0.167 0.000 0.970 449 N HN 0.277 nan 8.380 nan 0.000 0.471 450 H N 1.380 120.397 119.070 -0.089 0.000 2.742 450 H HA 0.110 4.681 4.556 0.024 0.000 0.302 450 H C -1.188 173.990 175.328 -0.249 0.000 1.069 450 H CA -1.264 54.709 56.048 -0.124 0.000 1.446 450 H CB 1.585 31.304 29.762 -0.070 0.000 1.462 450 H HN 0.058 nan 8.280 nan 0.000 0.499 451 P HA -0.143 nan 4.420 nan 0.000 0.221 451 P C 1.396 178.203 177.300 -0.821 0.000 1.150 451 P CA 1.023 63.755 63.100 -0.614 0.000 0.800 451 P CB 0.323 31.449 31.700 -0.957 0.000 0.787 452 S N -0.582 114.740 115.700 -0.629 0.000 2.419 452 S HA -0.048 4.437 4.470 0.025 0.000 0.233 452 S C 1.143 175.705 174.600 -0.063 0.000 1.016 452 S CA 0.409 58.420 58.200 -0.315 0.000 0.974 452 S CB -1.543 61.634 63.200 -0.038 0.000 0.786 452 S HN -0.057 nan 8.310 nan 0.000 0.492 453 V N 3.627 123.483 119.914 -0.096 0.000 2.439 453 V HA 0.220 4.354 4.120 0.025 0.000 0.271 453 V C 1.125 177.080 176.094 -0.233 0.000 1.040 453 V CA 0.062 62.272 62.300 -0.149 0.000 1.002 453 V CB 0.398 32.043 31.823 -0.296 0.000 1.000 453 V HN 0.637 nan 8.190 nan 0.000 0.477 454 I N 2.727 123.216 120.570 -0.134 0.000 4.187 454 I HA 0.513 4.697 4.170 0.025 0.000 0.326 454 I C 0.366 176.370 176.117 -0.189 0.000 1.302 454 I CA 0.525 61.757 61.300 -0.114 0.000 1.196 454 I CB 0.481 38.498 38.000 0.028 0.000 1.095 454 I HN 0.326 nan 8.210 nan 0.000 0.411 455 I N 0.019 120.450 120.570 -0.232 0.000 2.752 455 I HA 0.352 4.537 4.170 0.025 0.000 0.295 455 I C -1.564 174.441 176.117 -0.187 0.000 1.219 455 I CA -0.407 60.797 61.300 -0.160 0.000 1.030 455 I CB 2.082 40.086 38.000 0.007 0.000 1.259 455 I HN 0.022 nan 8.210 nan 0.000 0.423 456 W N 3.560 124.912 121.300 0.087 0.000 2.449 456 W HA 0.651 5.323 4.660 0.021 0.000 0.331 456 W C 0.402 176.988 176.519 0.112 0.000 1.119 456 W CA -0.602 56.800 57.345 0.096 0.000 1.240 456 W CB 1.675 31.187 29.460 0.087 0.000 1.251 456 W HN 0.324 nan 8.180 nan 0.000 0.576 457 S N 2.156 118.099 115.700 0.405 0.000 2.526 457 S HA 0.413 4.898 4.470 0.025 0.000 0.293 457 S C 0.062 174.832 174.600 0.284 0.000 1.092 457 S CA -0.716 57.667 58.200 0.304 0.000 0.980 457 S CB 0.867 64.200 63.200 0.223 0.000 1.048 457 S HN 0.567 nan 8.310 nan 0.000 0.483 458 L N 3.989 125.369 121.223 0.261 0.000 2.627 458 L HA 0.370 4.725 4.340 0.025 0.000 0.233 458 L C 1.409 178.338 176.870 0.098 0.000 1.144 458 L CA 0.504 55.410 54.840 0.109 0.000 0.892 458 L CB -1.129 40.884 42.059 -0.075 0.000 1.039 458 L HN 1.015 nan 8.230 nan 0.000 0.442 459 G N 0.105 109.057 108.800 0.254 0.000 2.297 459 G HA2 -0.151 3.824 3.960 0.025 0.000 0.209 459 G HA3 -0.151 3.824 3.960 0.025 0.000 0.209 459 G C -1.524 173.586 174.900 0.350 0.000 1.267 459 G CA -0.495 44.767 45.100 0.270 0.000 1.127 459 G HN 0.197 nan 8.290 nan 0.000 0.498 460 N N 0.217 119.066 118.700 0.249 0.000 2.367 460 N HA 0.471 5.226 4.740 0.025 0.000 0.278 460 N C -0.480 174.996 175.510 -0.057 0.000 1.117 460 N CA 0.182 53.235 53.050 0.005 0.000 0.867 460 N CB 1.588 39.810 38.487 -0.441 0.000 1.649 460 N HN 0.904 nan 8.380 nan 0.000 0.479 461 E N 0.588 120.657 120.200 -0.218 0.000 2.183 461 E HA -0.176 4.188 4.350 0.025 0.000 0.196 461 E C -0.832 175.684 176.600 -0.140 0.000 1.364 461 E CA 0.774 56.962 56.400 -0.353 0.000 0.700 461 E CB -1.294 27.964 29.700 -0.737 0.000 1.106 461 E HN 0.425 nan 8.360 nan 0.000 0.347 462 S N -0.027 115.735 115.700 0.103 0.000 2.941 462 S HA 0.398 4.883 4.470 0.025 0.000 0.251 462 S C 0.615 175.386 174.600 0.285 0.000 1.029 462 S CA -0.112 58.214 58.200 0.209 0.000 1.062 462 S CB 1.377 64.772 63.200 0.324 0.000 0.977 462 S HN 0.837 nan 8.310 nan 0.000 0.552 463 G N 1.975 110.868 108.800 0.156 0.000 2.601 463 G HA2 -0.264 3.711 3.960 0.025 0.000 0.261 463 G HA3 -0.264 3.711 3.960 0.025 0.000 0.261 463 G C -0.516 174.598 174.900 0.356 0.000 1.289 463 G CA -0.117 45.081 45.100 0.164 0.000 0.920 463 G HN 0.645 nan 8.290 nan 0.000 0.571 464 H N 0.343 119.536 119.070 0.205 0.000 2.727 464 H HA 0.581 5.151 4.556 0.024 0.000 0.330 464 H C 0.308 175.807 175.328 0.285 0.000 0.986 464 H CA -0.129 56.087 56.048 0.279 0.000 1.251 464 H CB 0.827 30.681 29.762 0.154 0.000 1.493 464 H HN 1.063 nan 8.280 nan 0.000 0.515 465 G N 1.487 110.378 108.800 0.151 0.000 2.630 465 G HA2 0.450 4.424 3.960 0.025 0.000 0.296 465 G HA3 0.450 4.424 3.960 0.025 0.000 0.296 465 G C 0.539 175.304 174.900 -0.225 0.000 1.285 465 G CA -0.165 44.853 45.100 -0.137 0.000 0.958 465 G HN 0.683 nan 8.290 nan 0.000 0.479 466 A N 0.315 123.035 122.820 -0.167 0.000 2.024 466 A HA -0.096 4.239 4.320 0.025 0.000 0.220 466 A C 2.107 179.661 177.584 -0.050 0.000 1.164 466 A CA 1.880 53.862 52.037 -0.091 0.000 0.643 466 A CB -0.414 18.556 19.000 -0.051 0.000 0.806 466 A HN 0.537 nan 8.150 nan 0.000 0.451 467 N N -0.221 118.414 118.700 -0.109 0.000 2.223 467 N HA -0.141 4.614 4.740 0.025 0.000 0.185 467 N C 1.362 176.811 175.510 -0.103 0.000 1.016 467 N CA 1.683 54.660 53.050 -0.121 0.000 0.863 467 N CB -0.699 37.682 38.487 -0.176 0.000 0.983 467 N HN 0.784 nan 8.380 nan 0.000 0.429 468 H N 0.505 119.559 119.070 -0.026 0.000 2.353 468 H HA -0.032 4.539 4.556 0.024 0.000 0.300 468 H C 1.264 176.662 175.328 0.115 0.000 1.090 468 H CA 1.326 57.370 56.048 -0.006 0.000 1.327 468 H CB 0.141 29.911 29.762 0.014 0.000 1.383 468 H HN 0.187 nan 8.280 nan 0.000 0.508 469 D N 0.355 120.916 120.400 0.268 0.000 2.117 469 D HA -0.124 4.531 4.640 0.025 0.000 0.197 469 D C 2.311 178.763 176.300 0.254 0.000 0.987 469 D CA 1.135 55.292 54.000 0.261 0.000 0.829 469 D CB -0.390 40.531 40.800 0.200 0.000 0.961 469 D HN 0.430 nan 8.370 nan 0.000 0.460 470 A N 0.865 123.782 122.820 0.162 0.000 1.877 470 A HA -0.131 4.204 4.320 0.025 0.000 0.216 470 A C 2.398 180.090 177.584 0.181 0.000 1.186 470 A CA 1.015 53.136 52.037 0.140 0.000 0.620 470 A CB -0.757 18.284 19.000 0.067 0.000 0.822 470 A HN 0.208 nan 8.150 nan 0.000 0.443 471 L N -2.242 119.073 121.223 0.154 0.000 2.179 471 L HA -0.102 4.253 4.340 0.025 0.000 0.208 471 L C 2.526 179.537 176.870 0.235 0.000 1.096 471 L CA 1.248 56.180 54.840 0.153 0.000 0.779 471 L CB -0.619 41.459 42.059 0.031 0.000 0.922 471 L HN 0.605 nan 8.230 nan 0.000 0.443 472 Y N 1.408 121.793 120.300 0.142 0.000 2.097 472 Y HA -0.334 4.226 4.550 0.017 0.000 0.282 472 Y C 2.825 178.808 175.900 0.138 0.000 1.152 472 Y CA 1.856 60.041 58.100 0.143 0.000 1.136 472 Y CB -0.113 38.432 38.460 0.143 0.000 0.975 472 Y HN -0.028 nan 8.280 nan 0.000 0.498 473 R N -0.228 120.391 120.500 0.198 0.000 2.115 473 R HA -0.178 4.177 4.340 0.025 0.000 0.230 473 R C 2.017 178.319 176.300 0.004 0.000 1.111 473 R CA 1.709 57.838 56.100 0.048 0.000 0.976 473 R CB -1.319 29.090 30.300 0.181 0.000 0.870 473 R HN 0.646 nan 8.270 nan 0.000 0.445 474 W N 0.622 121.880 121.300 -0.070 0.000 2.333 474 W HA -0.184 4.492 4.660 0.027 0.000 0.316 474 W C 1.552 177.979 176.519 -0.153 0.000 1.215 474 W CA 2.165 59.453 57.345 -0.094 0.000 1.278 474 W CB -0.280 29.128 29.460 -0.086 0.000 1.154 474 W HN 0.079 nan 8.180 nan 0.000 0.486 475 I N 0.868 121.450 120.570 0.020 0.000 2.127 475 I HA -0.372 3.813 4.170 0.025 0.000 0.241 475 I C 2.468 178.388 176.117 -0.327 0.000 1.075 475 I CA 1.531 62.693 61.300 -0.230 0.000 1.334 475 I CB -0.811 37.112 38.000 -0.128 0.000 1.040 475 I HN -0.088 nan 8.210 nan 0.000 0.405 476 K N 0.331 120.545 120.400 -0.310 0.000 2.152 476 K HA -0.168 4.166 4.320 0.025 0.000 0.206 476 K C 2.275 178.734 176.600 -0.236 0.000 1.048 476 K CA 1.565 57.691 56.287 -0.269 0.000 0.933 476 K CB -0.513 31.779 32.500 -0.347 0.000 0.721 476 K HN 0.281 nan 8.250 nan 0.000 0.447 477 S N 0.982 116.505 115.700 -0.296 0.000 2.377 477 S HA -0.079 4.406 4.470 0.025 0.000 0.223 477 S C 2.051 176.432 174.600 -0.365 0.000 1.030 477 S CA 1.087 59.119 58.200 -0.280 0.000 0.970 477 S CB -0.102 62.930 63.200 -0.280 0.000 0.830 477 S HN 0.184 nan 8.310 nan 0.000 0.473 478 V N -0.762 118.790 119.914 -0.604 0.000 2.788 478 V HA 0.262 4.397 4.120 0.025 0.000 0.251 478 V C 0.381 176.244 176.094 -0.384 0.000 1.068 478 V CA 1.429 63.370 62.300 -0.598 0.000 1.090 478 V CB -0.407 30.811 31.823 -1.007 0.000 0.710 478 V HN 0.431 nan 8.190 nan 0.000 0.467 479 D N 0.875 121.097 120.400 -0.297 0.000 2.405 479 D HA 0.382 5.037 4.640 0.025 0.000 0.264 479 D C -2.083 174.206 176.300 -0.019 0.000 1.240 479 D CA -1.968 51.970 54.000 -0.102 0.000 0.893 479 D CB 1.630 42.460 40.800 0.049 0.000 1.198 479 D HN 0.210 nan 8.370 nan 0.000 0.514 480 P HA -0.042 nan 4.420 nan 0.000 0.242 480 P C 1.069 178.389 177.300 0.034 0.000 1.197 480 P CA 0.405 63.500 63.100 -0.009 0.000 0.765 480 P CB 0.096 31.784 31.700 -0.019 0.000 0.936 481 S N -1.253 114.477 115.700 0.049 0.000 2.561 481 S HA 0.063 4.548 4.470 0.025 0.000 0.225 481 S C 0.867 175.495 174.600 0.045 0.000 0.977 481 S CA -0.151 58.081 58.200 0.055 0.000 0.926 481 S CB -0.378 62.849 63.200 0.045 0.000 0.769 481 S HN 0.078 nan 8.310 nan 0.000 0.533 482 R N 1.084 121.623 120.500 0.065 0.000 2.621 482 R HA 0.542 4.896 4.340 0.025 0.000 0.284 482 R C -3.201 173.148 176.300 0.081 0.000 0.998 482 R CA -2.210 53.892 56.100 0.003 0.000 0.895 482 R CB 1.600 31.771 30.300 -0.215 0.000 1.195 482 R HN 0.148 nan 8.270 nan 0.000 0.450 483 P HA 0.097 nan 4.420 nan 0.000 0.272 483 P C -0.823 176.583 177.300 0.177 0.000 1.240 483 P CA -0.416 62.748 63.100 0.106 0.000 0.791 483 P CB 0.659 32.407 31.700 0.081 0.000 0.978 484 V N 1.826 121.873 119.914 0.222 0.000 2.495 484 V HA 0.404 4.539 4.120 0.025 0.000 0.298 484 V C 0.198 176.481 176.094 0.316 0.000 1.031 484 V CA -0.310 62.171 62.300 0.301 0.000 0.871 484 V CB 1.149 33.119 31.823 0.245 0.000 0.988 484 V HN 0.618 nan 8.190 nan 0.000 0.432 485 Q N 3.801 123.767 119.800 0.277 0.000 2.458 485 Q HA 0.813 5.167 4.340 0.025 0.000 0.282 485 Q C -1.860 174.308 176.000 0.281 0.000 1.106 485 Q CA -0.925 55.009 55.803 0.219 0.000 0.814 485 Q CB 2.996 31.810 28.738 0.125 0.000 1.425 485 Q HN 0.621 nan 8.270 nan 0.000 0.437 486 Y N 0.055 120.368 120.300 0.021 0.000 2.357 486 Y HA 0.139 4.703 4.550 0.023 0.000 0.319 486 Y C -0.660 175.181 175.900 -0.098 0.000 1.225 486 Y CA -0.800 57.279 58.100 -0.035 0.000 1.095 486 Y CB 1.991 40.414 38.460 -0.062 0.000 1.302 486 Y HN 0.962 nan 8.280 nan 0.000 0.429 487 E N 3.298 123.014 120.200 -0.806 0.000 2.385 487 E HA 0.143 4.508 4.350 0.025 0.000 0.194 487 E C 0.605 176.749 176.600 -0.759 0.000 1.013 487 E CA 0.657 56.690 56.400 -0.612 0.000 0.866 487 E CB 0.305 29.768 29.700 -0.395 0.000 0.832 487 E HN 0.876 nan 8.360 nan 0.000 0.500 488 G N -0.179 107.733 108.800 -1.479 0.000 2.484 488 G HA2 0.265 4.239 3.960 0.025 0.000 0.235 488 G HA3 0.265 4.239 3.960 0.025 0.000 0.235 488 G C 0.775 175.512 174.900 -0.273 0.000 1.282 488 G CA 0.233 44.904 45.100 -0.715 0.000 0.857 488 G HN 0.314 nan 8.290 nan 0.000 0.571 489 G N -0.609 108.140 108.800 -0.084 0.000 2.147 489 G HA2 0.243 4.218 3.960 0.025 0.000 0.244 489 G HA3 0.243 4.218 3.960 0.025 0.000 0.244 489 G C 1.238 176.143 174.900 0.008 0.000 1.005 489 G CA 0.939 46.058 45.100 0.031 0.000 0.713 489 G HN 2.622 nan 8.290 nan 0.000 0.515 490 G N -1.429 107.368 108.800 -0.005 0.000 2.192 490 G HA2 0.432 4.407 3.960 0.025 0.000 0.193 490 G HA3 0.432 4.407 3.960 0.025 0.000 0.193 490 G C 1.036 176.065 174.900 0.214 0.000 0.999 490 G CA 1.290 46.457 45.100 0.112 0.000 0.659 490 G HN 2.377 nan 8.290 nan 0.000 0.503 491 A N -0.345 122.480 122.820 0.007 0.000 3.661 491 A HA -0.121 4.214 4.320 0.025 0.000 0.269 491 A C 1.140 178.658 177.584 -0.110 0.000 1.056 491 A CA 2.611 54.590 52.037 -0.096 0.000 1.159 491 A CB -1.740 17.167 19.000 -0.156 0.000 1.105 491 A HN 2.132 nan 8.150 nan 0.000 0.907 492 D N -0.821 119.603 120.400 0.040 0.000 2.692 492 D HA 0.302 4.956 4.640 0.025 0.000 0.290 492 D C 0.412 176.714 176.300 0.004 0.000 1.455 492 D CA 0.892 54.923 54.000 0.052 0.000 0.796 492 D CB -1.165 39.818 40.800 0.305 0.000 1.131 492 D HN 0.858 nan 8.370 nan 0.000 0.467 493 T N -2.257 112.233 114.554 -0.107 0.000 2.698 493 T HA 0.184 4.549 4.350 0.025 0.000 0.295 493 T C 1.631 176.200 174.700 -0.218 0.000 1.007 493 T CA 0.540 62.507 62.100 -0.221 0.000 0.980 493 T CB 0.821 69.328 68.868 -0.603 0.000 1.036 493 T HN 0.080 nan 8.240 nan 0.000 0.526 494 T N -2.472 111.945 114.554 -0.228 0.000 3.113 494 T HA 0.187 4.552 4.350 0.025 0.000 0.263 494 T C 1.515 175.955 174.700 -0.433 0.000 1.143 494 T CA 0.340 62.313 62.100 -0.211 0.000 1.090 494 T CB -0.503 68.330 68.868 -0.059 0.000 0.922 494 T HN 0.844 nan 8.240 nan 0.000 0.521 495 A N 0.419 123.002 122.820 -0.396 0.000 2.460 495 A HA 0.521 4.856 4.320 0.025 0.000 0.258 495 A C 0.781 178.208 177.584 -0.263 0.000 1.300 495 A CA -0.316 51.469 52.037 -0.420 0.000 0.913 495 A CB 0.053 19.060 19.000 0.012 0.000 1.031 495 A HN 0.423 nan 8.150 nan 0.000 0.512 496 T N -1.391 113.003 114.554 -0.268 0.000 2.952 496 T HA 0.363 4.728 4.350 0.025 0.000 0.305 496 T C -0.707 174.013 174.700 0.033 0.000 1.064 496 T CA -0.429 61.668 62.100 -0.004 0.000 1.008 496 T CB 1.236 70.101 68.868 -0.005 0.000 1.078 496 T HN 0.076 nan 8.240 nan 0.000 0.459 497 D N 2.992 123.499 120.400 0.178 0.000 2.349 497 D HA 0.279 4.934 4.640 0.025 0.000 0.215 497 D C 0.322 176.658 176.300 0.059 0.000 1.016 497 D CA 0.626 54.711 54.000 0.143 0.000 0.870 497 D CB 0.392 41.310 40.800 0.197 0.000 0.917 497 D HN 0.541 nan 8.370 nan 0.000 0.524 498 I N 0.994 121.581 120.570 0.029 0.000 2.498 498 I HA 0.252 4.436 4.170 0.025 0.000 0.290 498 I C -0.135 175.921 176.117 -0.101 0.000 1.032 498 I CA -0.905 60.377 61.300 -0.030 0.000 1.073 498 I CB 2.747 40.742 38.000 -0.008 0.000 1.251 498 I HN -0.352 nan 8.210 nan 0.000 0.426 499 I N 5.906 126.371 120.570 -0.175 0.000 2.505 499 I HA 0.017 4.201 4.170 0.025 0.000 0.287 499 I C 0.223 176.133 176.117 -0.345 0.000 1.104 499 I CA 0.103 61.200 61.300 -0.339 0.000 1.387 499 I CB 0.081 37.774 38.000 -0.513 0.000 1.404 499 I HN 0.672 nan 8.210 nan 0.000 0.528 500 C N 5.739 124.852 119.300 -0.313 0.000 3.401 500 C HA 0.476 4.950 4.460 0.025 0.000 0.204 500 C C -2.133 172.724 174.990 -0.221 0.000 1.522 500 C CA -2.260 56.630 59.018 -0.214 0.000 1.409 500 C CB -0.936 26.737 27.740 -0.110 0.000 1.967 500 C HN 0.415 nan 8.230 nan 0.000 0.496 501 P HA 0.330 nan 4.420 nan 0.000 0.273 501 P C -0.468 176.780 177.300 -0.087 0.000 1.250 501 P CA 0.262 63.255 63.100 -0.178 0.000 0.793 501 P CB 0.764 32.361 31.700 -0.173 0.000 1.011 502 M N -0.146 119.430 119.600 -0.041 0.000 2.181 502 M HA 0.446 4.941 4.480 0.025 0.000 0.323 502 M C -0.774 175.508 176.300 -0.031 0.000 1.004 502 M CA -0.693 54.482 55.300 -0.209 0.000 0.941 502 M CB 1.195 33.651 32.600 -0.240 0.000 1.579 502 M HN 0.324 nan 8.290 nan 0.000 0.427 503 Y N -0.323 120.154 120.300 0.295 0.000 4.490 503 Y HA -0.228 4.337 4.550 0.026 0.000 0.233 503 Y C 0.570 176.650 175.900 0.300 0.000 1.101 503 Y CA 0.434 58.710 58.100 0.293 0.000 2.010 503 Y CB -2.272 36.328 38.460 0.233 0.000 1.622 503 Y HN 0.974 nan 8.280 nan 0.000 0.675 504 A N 1.233 124.273 122.820 0.368 0.000 2.477 504 A HA 0.524 4.859 4.320 0.025 0.000 0.246 504 A C 0.766 178.579 177.584 0.382 0.000 1.078 504 A CA -0.369 51.891 52.037 0.371 0.000 0.770 504 A CB 0.362 19.621 19.000 0.431 0.000 1.011 504 A HN 0.423 nan 8.150 nan 0.000 0.494 505 R N 1.456 122.111 120.500 0.257 0.000 2.546 505 R HA 0.328 4.682 4.340 0.025 0.000 0.266 505 R C 1.045 177.320 176.300 -0.042 0.000 1.086 505 R CA -0.709 55.475 56.100 0.139 0.000 1.160 505 R CB 0.551 30.896 30.300 0.077 0.000 1.138 505 R HN 0.489 nan 8.270 nan 0.000 0.567 506 V N 0.619 120.345 119.914 -0.313 0.000 2.270 506 V HA -0.200 3.935 4.120 0.025 0.000 0.245 506 V C 0.956 176.935 176.094 -0.192 0.000 1.043 506 V CA 1.877 63.949 62.300 -0.379 0.000 1.014 506 V CB -0.263 31.207 31.823 -0.589 0.000 0.645 506 V HN 0.743 nan 8.190 nan 0.000 0.447 507 D N -1.553 118.769 120.400 -0.131 0.000 2.473 507 D HA 0.103 4.758 4.640 0.025 0.000 0.230 507 D C 0.905 177.190 176.300 -0.024 0.000 1.097 507 D CA 0.048 54.005 54.000 -0.071 0.000 0.861 507 D CB 0.719 41.481 40.800 -0.063 0.000 1.114 507 D HN 0.487 nan 8.370 nan 0.000 0.500 508 E N 1.951 122.142 120.200 -0.015 0.000 2.200 508 E HA 0.110 4.475 4.350 0.025 0.000 0.283 508 E C -0.775 175.829 176.600 0.006 0.000 1.015 508 E CA -0.566 55.834 56.400 -0.001 0.000 0.819 508 E CB 0.996 30.696 29.700 0.000 0.000 1.081 508 E HN -0.176 nan 8.360 nan 0.000 0.397 509 D N 3.526 123.932 120.400 0.010 0.000 2.329 509 D HA 0.124 4.779 4.640 0.025 0.000 0.246 509 D C -0.542 175.654 176.300 -0.173 0.000 1.111 509 D CA 0.174 54.173 54.000 -0.002 0.000 0.941 509 D CB 1.119 41.992 40.800 0.122 0.000 1.169 509 D HN 0.436 nan 8.370 nan 0.000 0.441 510 Q N 1.153 120.722 119.800 -0.384 0.000 2.771 510 Q HA 0.242 4.597 4.340 0.025 0.000 0.247 510 Q C -2.237 173.126 176.000 -1.063 0.000 0.986 510 Q CA -1.484 53.882 55.803 -0.729 0.000 0.713 510 Q CB 2.356 30.618 28.738 -0.793 0.000 1.241 510 Q HN 0.158 nan 8.270 nan 0.000 0.488 511 P HA -0.011 nan 4.420 nan 0.000 0.225 511 P C -0.635 176.357 177.300 -0.512 0.000 1.768 511 P CA -0.038 62.629 63.100 -0.722 0.000 0.943 511 P CB -0.594 30.901 31.700 -0.341 0.000 1.936 512 F N 1.568 121.339 119.950 -0.298 0.000 2.595 512 F HA 0.122 4.663 4.527 0.024 0.000 0.359 512 F C -1.167 174.526 175.800 -0.179 0.000 1.147 512 F CA -2.172 55.714 58.000 -0.189 0.000 1.341 512 F CB -0.769 38.137 39.000 -0.158 0.000 1.104 512 F HN 0.041 nan 8.300 nan 0.000 0.603 513 P HA 0.106 nan 4.420 nan 0.000 0.268 513 P C 0.307 177.621 177.300 0.023 0.000 1.205 513 P CA 1.088 64.204 63.100 0.027 0.000 0.771 513 P CB 1.136 32.852 31.700 0.026 0.000 0.858 514 A N 2.597 125.424 122.820 0.012 0.000 2.617 514 A HA -0.250 4.085 4.320 0.025 0.000 0.236 514 A C 0.700 178.292 177.584 0.014 0.000 0.514 514 A CA 2.142 54.190 52.037 0.019 0.000 1.126 514 A CB -2.647 16.364 19.000 0.018 0.000 1.393 514 A HN 0.659 nan 8.150 nan 0.000 0.693 515 V N -3.106 116.809 119.914 0.001 0.000 2.405 515 V HA 0.560 4.694 4.120 0.025 0.000 0.253 515 V C -2.348 173.725 176.094 -0.036 0.000 0.963 515 V CA -1.281 61.018 62.300 -0.001 0.000 1.003 515 V CB 0.649 32.477 31.823 0.008 0.000 1.251 515 V HN 0.484 nan 8.190 nan 0.000 0.520 516 P HA 0.236 nan 4.420 nan 0.000 0.269 516 P C -0.591 176.269 177.300 -0.735 0.000 1.215 516 P CA 0.137 62.844 63.100 -0.655 0.000 0.780 516 P CB 1.038 31.869 31.700 -1.449 0.000 0.898 517 K N 2.170 122.195 120.400 -0.625 0.000 2.419 517 K HA 0.199 4.534 4.320 0.025 0.000 0.244 517 K C -0.433 175.887 176.600 -0.466 0.000 1.045 517 K CA -0.294 55.826 56.287 -0.278 0.000 1.004 517 K CB 0.307 32.920 32.500 0.188 0.000 1.376 517 K HN 0.459 nan 8.250 nan 0.000 0.460 518 W N 1.290 122.299 121.300 -0.485 0.000 2.126 518 W HA 0.046 4.721 4.660 0.024 0.000 0.346 518 W C 1.339 177.877 176.519 0.030 0.000 1.279 518 W CA -0.368 56.779 57.345 -0.329 0.000 1.259 518 W CB 0.392 29.485 29.460 -0.612 0.000 1.133 518 W HN 0.347 nan 8.180 nan 0.000 0.592 519 S N 3.094 118.956 115.700 0.269 0.000 2.558 519 S HA -0.081 4.404 4.470 0.025 0.000 0.293 519 S C 1.247 176.004 174.600 0.262 0.000 1.292 519 S CA -0.140 58.164 58.200 0.172 0.000 1.063 519 S CB 0.154 63.409 63.200 0.092 0.000 0.831 519 S HN 0.506 nan 8.310 nan 0.000 0.499 520 I N 2.256 122.937 120.570 0.186 0.000 2.361 520 I HA -0.136 4.049 4.170 0.025 0.000 0.251 520 I C 2.029 178.170 176.117 0.039 0.000 1.133 520 I CA 1.253 62.658 61.300 0.174 0.000 1.413 520 I CB -0.420 37.624 38.000 0.074 0.000 1.073 520 I HN 0.588 nan 8.210 nan 0.000 0.424 521 K N 1.600 121.923 120.400 -0.128 0.000 2.057 521 K HA -0.164 4.171 4.320 0.025 0.000 0.207 521 K C 2.317 178.914 176.600 -0.005 0.000 1.049 521 K CA 1.793 57.917 56.287 -0.271 0.000 0.931 521 K CB -0.200 32.081 32.500 -0.365 0.000 0.714 521 K HN 0.370 nan 8.250 nan 0.000 0.440 522 K N 0.012 120.435 120.400 0.038 0.000 2.155 522 K HA -0.163 4.172 4.320 0.025 0.000 0.203 522 K C 1.881 178.519 176.600 0.064 0.000 1.052 522 K CA 0.789 57.090 56.287 0.024 0.000 0.948 522 K CB -0.063 32.417 32.500 -0.034 0.000 0.728 522 K HN 0.219 nan 8.250 nan 0.000 0.448 523 W N 2.164 123.460 121.300 -0.008 0.000 2.338 523 W HA -0.186 4.487 4.660 0.022 0.000 0.304 523 W C 1.565 178.071 176.519 -0.022 0.000 1.212 523 W CA 1.127 58.477 57.345 0.009 0.000 1.264 523 W CB -0.607 28.934 29.460 0.136 0.000 1.142 523 W HN 0.087 nan 8.180 nan 0.000 0.512 524 L N 0.842 122.221 121.223 0.260 0.000 2.081 524 L HA -0.260 4.095 4.340 0.025 0.000 0.212 524 L C 2.228 179.166 176.870 0.113 0.000 1.080 524 L CA 2.040 56.969 54.840 0.148 0.000 0.754 524 L CB -0.992 41.143 42.059 0.127 0.000 0.893 524 L HN -0.003 nan 8.230 nan 0.000 0.433 525 S N -1.575 114.176 115.700 0.085 0.000 2.572 525 S HA 0.267 4.751 4.470 0.025 0.000 0.228 525 S C 0.549 175.138 174.600 -0.019 0.000 0.963 525 S CA -0.552 57.668 58.200 0.035 0.000 0.939 525 S CB -0.367 62.852 63.200 0.032 0.000 0.804 525 S HN 0.147 nan 8.310 nan 0.000 0.480 526 L N 1.999 123.201 121.223 -0.035 0.000 2.499 526 L HA 0.224 4.579 4.340 0.025 0.000 0.281 526 L C -2.181 174.653 176.870 -0.060 0.000 1.234 526 L CA -1.722 53.046 54.840 -0.120 0.000 0.839 526 L CB -0.325 41.636 42.059 -0.162 0.000 1.104 526 L HN 0.032 nan 8.230 nan 0.000 0.500 527 P HA -0.045 nan 4.420 nan 0.000 0.260 527 P C 0.736 178.027 177.300 -0.015 0.000 1.172 527 P CA 1.158 64.233 63.100 -0.043 0.000 0.760 527 P CB 0.462 32.130 31.700 -0.053 0.000 0.773 528 G N 1.731 110.530 108.800 -0.003 0.000 2.234 528 G HA2 -0.283 3.691 3.960 0.025 0.000 0.260 528 G HA3 -0.283 3.691 3.960 0.025 0.000 0.260 528 G C 0.298 175.212 174.900 0.024 0.000 0.987 528 G CA 0.211 45.318 45.100 0.011 0.000 0.625 528 G HN 0.623 nan 8.290 nan 0.000 0.532 529 E N 1.017 121.237 120.200 0.033 0.000 2.338 529 E HA 0.598 4.963 4.350 0.025 0.000 0.272 529 E C 1.350 177.974 176.600 0.041 0.000 1.029 529 E CA 0.707 57.139 56.400 0.054 0.000 0.872 529 E CB 0.807 30.565 29.700 0.097 0.000 1.015 529 E HN 0.553 nan 8.360 nan 0.000 0.417 530 T N 0.467 115.042 114.554 0.035 0.000 3.130 530 T HA 0.327 4.691 4.350 0.025 0.000 0.288 530 T C 0.548 175.259 174.700 0.017 0.000 0.936 530 T CA -0.472 61.644 62.100 0.025 0.000 0.897 530 T CB 0.076 68.957 68.868 0.023 0.000 1.178 530 T HN 0.249 nan 8.240 nan 0.000 0.543 531 R N 2.313 122.820 120.500 0.011 0.000 2.637 531 R HA 0.470 4.825 4.340 0.025 0.000 0.269 531 R C -2.516 173.766 176.300 -0.029 0.000 1.089 531 R CA -1.809 54.287 56.100 -0.007 0.000 1.177 531 R CB 0.090 30.379 30.300 -0.018 0.000 1.091 531 R HN 0.226 nan 8.270 nan 0.000 0.540 532 P HA 0.094 nan 4.420 nan 0.000 0.276 532 P C -1.068 176.166 177.300 -0.110 0.000 1.252 532 P CA -0.156 62.905 63.100 -0.064 0.000 0.802 532 P CB 0.683 32.344 31.700 -0.064 0.000 1.035 533 L N 2.103 123.241 121.223 -0.142 0.000 2.349 533 L HA 0.575 4.930 4.340 0.025 0.000 0.278 533 L C -1.060 175.669 176.870 -0.234 0.000 0.996 533 L CA -0.642 54.075 54.840 -0.205 0.000 0.825 533 L CB 0.578 42.507 42.059 -0.217 0.000 1.243 533 L HN 0.229 nan 8.230 nan 0.000 0.412 534 I N 5.604 126.042 120.570 -0.220 0.000 2.500 534 I HA 0.267 4.452 4.170 0.025 0.000 0.286 534 I C -0.769 175.255 176.117 -0.154 0.000 1.063 534 I CA -0.570 60.584 61.300 -0.244 0.000 1.062 534 I CB 2.071 39.988 38.000 -0.138 0.000 1.223 534 I HN 0.480 nan 8.210 nan 0.000 0.435 535 L N 5.593 126.695 121.223 -0.202 0.000 2.462 535 L HA 0.050 4.405 4.340 0.025 0.000 0.272 535 L C 1.476 178.432 176.870 0.143 0.000 1.166 535 L CA -0.163 54.636 54.840 -0.069 0.000 0.880 535 L CB 0.712 42.717 42.059 -0.090 0.000 1.142 535 L HN 0.866 nan 8.230 nan 0.000 0.473 536 C N 0.245 119.606 119.300 0.103 0.000 2.448 536 C HA 0.127 4.602 4.460 0.025 0.000 0.280 536 C C 0.594 175.745 174.990 0.268 0.000 1.398 536 C CA -0.167 58.960 59.018 0.182 0.000 1.774 536 C CB -1.137 26.621 27.740 0.030 0.000 1.888 536 C HN 0.824 nan 8.230 nan 0.000 0.519 537 E N -0.930 119.363 120.200 0.154 0.000 2.335 537 E HA 0.599 4.964 4.350 0.025 0.000 0.280 537 E C -1.420 175.163 176.600 -0.028 0.000 0.918 537 E CA -0.433 56.056 56.400 0.147 0.000 0.765 537 E CB 1.954 31.589 29.700 -0.108 0.000 1.218 537 E HN 0.668 nan 8.360 nan 0.000 0.425 538 Y N -1.365 118.944 120.300 0.015 0.000 2.689 538 Y HA 0.625 5.191 4.550 0.026 0.000 0.333 538 Y C -0.781 175.318 175.900 0.331 0.000 1.208 538 Y CA -0.852 57.273 58.100 0.041 0.000 1.055 538 Y CB 0.918 39.237 38.460 -0.236 0.000 1.304 538 Y HN 0.697 nan 8.280 nan 0.000 0.455 539 A N 2.043 124.947 122.820 0.140 0.000 2.183 539 A HA -0.264 4.071 4.320 0.025 0.000 0.278 539 A C -0.413 177.302 177.584 0.219 0.000 1.404 539 A CA 1.070 53.178 52.037 0.118 0.000 0.737 539 A CB -2.396 16.586 19.000 -0.030 0.000 1.172 539 A HN 1.102 nan 8.150 nan 0.000 0.338 540 H N 0.979 120.196 119.070 0.245 0.000 3.191 540 H HA 0.288 4.859 4.556 0.024 0.000 0.261 540 H C 1.026 176.423 175.328 0.116 0.000 1.013 540 H CA 0.840 57.044 56.048 0.260 0.000 1.457 540 H CB 0.423 30.194 29.762 0.014 0.000 1.535 540 H HN 0.818 nan 8.280 nan 0.000 0.518 541 A N 6.806 129.557 122.820 -0.116 0.000 3.019 541 A HA 0.084 4.419 4.320 0.025 0.000 0.262 541 A C 0.822 178.290 177.584 -0.192 0.000 1.509 541 A CA -0.450 51.496 52.037 -0.152 0.000 1.159 541 A CB -0.649 18.234 19.000 -0.196 0.000 1.042 541 A HN 0.808 nan 8.150 nan 0.000 0.641 542 M N 1.539 121.024 119.600 -0.192 0.000 2.143 542 M HA 0.455 4.950 4.480 0.025 0.000 0.348 542 M C 0.961 177.124 176.300 -0.227 0.000 1.375 542 M CA 1.285 56.471 55.300 -0.190 0.000 1.124 542 M CB -0.099 32.441 32.600 -0.100 0.000 1.669 542 M HN 0.867 nan 8.290 nan 0.000 0.469 543 G N 4.254 112.902 108.800 -0.253 0.000 2.547 543 G HA2 -0.340 3.634 3.960 0.025 0.000 0.271 543 G HA3 -0.340 3.634 3.960 0.025 0.000 0.271 543 G C -0.268 174.174 174.900 -0.763 0.000 1.209 543 G CA 0.056 44.832 45.100 -0.539 0.000 0.959 543 G HN 0.863 nan 8.290 nan 0.000 0.563 544 N N 1.168 119.230 118.700 -1.062 0.000 2.466 544 N HA 0.496 5.251 4.740 0.025 0.000 0.263 544 N C 0.047 175.311 175.510 -0.410 0.000 1.178 544 N CA 1.075 53.666 53.050 -0.765 0.000 0.983 544 N CB 0.449 38.488 38.487 -0.747 0.000 1.331 544 N HN 0.840 nan 8.380 nan 0.000 0.500 545 S N 2.097 117.647 115.700 -0.250 0.000 2.998 545 S HA 0.603 5.088 4.470 0.025 0.000 0.321 545 S C -0.055 174.491 174.600 -0.090 0.000 1.171 545 S CA -0.354 57.753 58.200 -0.155 0.000 0.882 545 S CB 0.124 63.248 63.200 -0.126 0.000 1.301 545 S HN 0.353 nan 8.310 nan 0.000 0.629 546 L N 0.059 121.260 121.223 -0.036 0.000 4.800 546 L HA -0.066 4.289 4.340 0.025 0.000 0.412 546 L C 0.566 177.487 176.870 0.085 0.000 1.063 546 L CA 0.933 55.776 54.840 0.004 0.000 1.114 546 L CB -1.793 40.179 42.059 -0.144 0.000 2.089 546 L HN 0.733 nan 8.230 nan 0.000 0.686 547 G N -0.786 108.032 108.800 0.031 0.000 2.343 547 G HA2 0.473 4.448 3.960 0.025 0.000 0.254 547 G HA3 0.473 4.448 3.960 0.025 0.000 0.254 547 G C 1.229 176.185 174.900 0.094 0.000 1.277 547 G CA 0.204 45.303 45.100 -0.002 0.000 0.909 547 G HN 1.363 nan 8.290 nan 0.000 0.502 548 G N 1.744 110.595 108.800 0.084 0.000 2.157 548 G HA2 -0.315 3.660 3.960 0.025 0.000 0.248 548 G HA3 -0.315 3.660 3.960 0.025 0.000 0.248 548 G C 0.989 176.091 174.900 0.337 0.000 0.979 548 G CA 0.715 45.924 45.100 0.181 0.000 0.650 548 G HN 0.779 nan 8.290 nan 0.000 0.529 549 F N 1.820 121.904 119.950 0.223 0.000 2.161 549 F HA 0.162 4.704 4.527 0.025 0.000 0.300 549 F C 2.627 178.651 175.800 0.373 0.000 1.089 549 F CA 2.369 60.575 58.000 0.342 0.000 1.282 549 F CB -0.394 38.747 39.000 0.236 0.000 1.010 549 F HN 0.343 nan 8.300 nan 0.000 0.485 550 A N -0.394 122.605 122.820 0.298 0.000 2.019 550 A HA -0.213 4.121 4.320 0.025 0.000 0.219 550 A C 2.285 179.893 177.584 0.041 0.000 1.164 550 A CA 1.620 53.757 52.037 0.166 0.000 0.644 550 A CB -0.767 18.335 19.000 0.169 0.000 0.805 550 A HN 0.444 nan 8.150 nan 0.000 0.449 551 K N -1.568 118.843 120.400 0.018 0.000 2.097 551 K HA -0.161 4.174 4.320 0.025 0.000 0.205 551 K C 1.668 178.053 176.600 -0.359 0.000 1.050 551 K CA 1.494 57.706 56.287 -0.124 0.000 0.938 551 K CB -0.304 32.127 32.500 -0.114 0.000 0.718 551 K HN 0.565 nan 8.250 nan 0.000 0.442 552 Y N -0.819 119.220 120.300 -0.436 0.000 2.145 552 Y HA -0.243 4.321 4.550 0.024 0.000 0.286 552 Y C 1.935 176.820 175.900 -1.692 0.000 1.145 552 Y CA 1.588 59.052 58.100 -1.059 0.000 1.148 552 Y CB -0.250 37.590 38.460 -1.033 0.000 0.981 552 Y HN 0.181 nan 8.280 nan 0.000 0.507 553 W N -0.176 120.671 121.300 -0.754 0.000 2.388 553 W HA -0.170 4.506 4.660 0.026 0.000 0.294 553 W C 2.593 178.919 176.519 -0.322 0.000 1.212 553 W CA 1.342 58.373 57.345 -0.523 0.000 1.271 553 W CB -0.532 28.726 29.460 -0.336 0.000 1.126 553 W HN 0.033 nan 8.180 nan 0.000 0.535 554 Q N 0.777 120.485 119.800 -0.153 0.000 2.119 554 Q HA -0.150 4.205 4.340 0.025 0.000 0.201 554 Q C 2.139 178.065 176.000 -0.122 0.000 0.972 554 Q CA 1.926 57.679 55.803 -0.083 0.000 0.847 554 Q CB -0.433 28.271 28.738 -0.056 0.000 0.903 554 Q HN 0.277 nan 8.270 nan 0.000 0.433 555 A N -0.052 122.595 122.820 -0.288 0.000 1.872 555 A HA -0.076 4.259 4.320 0.025 0.000 0.214 555 A C 2.008 179.537 177.584 -0.092 0.000 1.187 555 A CA 0.896 52.795 52.037 -0.228 0.000 0.614 555 A CB -1.037 17.696 19.000 -0.445 0.000 0.826 555 A HN 0.460 nan 8.150 nan 0.000 0.442 556 F N -0.259 119.503 119.950 -0.313 0.000 2.161 556 F HA -0.225 4.317 4.527 0.025 0.000 0.300 556 F C 2.743 178.441 175.800 -0.170 0.000 1.089 556 F CA 1.127 58.919 58.000 -0.348 0.000 1.282 556 F CB -0.163 38.406 39.000 -0.719 0.000 1.010 556 F HN 0.158 nan 8.300 nan 0.000 0.485 557 R N -0.028 120.514 120.500 0.070 0.000 2.153 557 R HA -0.131 4.223 4.340 0.025 0.000 0.218 557 R C 2.092 178.424 176.300 0.053 0.000 1.072 557 R CA 0.859 56.992 56.100 0.054 0.000 0.990 557 R CB -0.330 29.998 30.300 0.047 0.000 0.889 557 R HN 0.379 nan 8.270 nan 0.000 0.452 558 Q N -0.286 119.573 119.800 0.099 0.000 2.187 558 Q HA -0.056 4.299 4.340 0.025 0.000 0.199 558 Q C -0.479 175.552 176.000 0.053 0.000 0.957 558 Q CA 0.918 56.776 55.803 0.092 0.000 0.857 558 Q CB 0.385 29.221 28.738 0.165 0.000 0.929 558 Q HN 0.166 nan 8.270 nan 0.000 0.453 559 Y N 0.029 120.308 120.300 -0.035 0.000 2.369 559 Y HA 0.273 4.837 4.550 0.023 0.000 0.337 559 Y C -1.802 174.071 175.900 -0.044 0.000 0.961 559 Y CA -2.881 55.199 58.100 -0.033 0.000 1.186 559 Y CB 1.395 39.840 38.460 -0.025 0.000 1.139 559 Y HN 0.105 nan 8.280 nan 0.000 0.494 560 P HA -0.171 nan 4.420 nan 0.000 0.215 560 P C 1.186 178.487 177.300 0.002 0.000 1.157 560 P CA 1.885 64.983 63.100 -0.003 0.000 0.874 560 P CB 0.308 31.990 31.700 -0.029 0.000 0.790 561 R N -1.195 119.325 120.500 0.034 0.000 2.316 561 R HA 0.057 4.412 4.340 0.025 0.000 0.202 561 R C 0.472 176.755 176.300 -0.028 0.000 1.029 561 R CA 0.212 56.315 56.100 0.006 0.000 1.018 561 R CB -0.543 29.771 30.300 0.024 0.000 0.888 561 R HN 0.249 nan 8.270 nan 0.000 0.471 562 L N 1.837 123.063 121.223 0.005 0.000 2.282 562 L HA 0.121 4.476 4.340 0.025 0.000 0.287 562 L C 0.547 177.276 176.870 -0.234 0.000 1.075 562 L CA 0.169 54.960 54.840 -0.081 0.000 0.839 562 L CB 1.159 43.244 42.059 0.043 0.000 1.219 562 L HN 0.088 nan 8.230 nan 0.000 0.434 563 Q N 2.862 122.445 119.800 -0.361 0.000 2.189 563 Q HA 0.313 4.668 4.340 0.025 0.000 0.221 563 Q C 0.778 176.366 176.000 -0.686 0.000 0.848 563 Q CA 0.071 55.627 55.803 -0.412 0.000 1.007 563 Q CB 1.072 29.658 28.738 -0.252 0.000 1.116 563 Q HN 0.957 nan 8.270 nan 0.000 0.481 564 G N -0.327 107.663 108.800 -1.351 0.000 2.416 564 G HA2 0.115 4.090 3.960 0.025 0.000 0.203 564 G HA3 0.115 4.090 3.960 0.025 0.000 0.203 564 G C -0.346 173.707 174.900 -1.413 0.000 1.227 564 G CA -0.745 43.215 45.100 -1.899 0.000 1.041 564 G HN 0.562 nan 8.290 nan 0.000 0.546 565 G N -2.157 106.112 108.800 -0.885 0.000 2.356 565 G HA2 0.638 4.613 3.960 0.025 0.000 0.294 565 G HA3 0.638 4.613 3.960 0.025 0.000 0.294 565 G C -1.777 173.062 174.900 -0.101 0.000 1.423 565 G CA -0.331 44.477 45.100 -0.488 0.000 0.806 565 G HN 1.127 nan 8.290 nan 0.000 0.527 566 F N 0.803 121.003 119.950 0.417 0.000 2.375 566 F HA 0.513 5.054 4.527 0.023 0.000 0.361 566 F C 0.823 176.909 175.800 0.478 0.000 1.117 566 F CA -0.747 57.516 58.000 0.438 0.000 1.037 566 F CB 1.965 41.117 39.000 0.253 0.000 1.192 566 F HN 0.251 nan 8.300 nan 0.000 0.452 567 V N 3.270 123.468 119.914 0.472 0.000 2.872 567 V HA -0.123 4.012 4.120 0.025 0.000 0.307 567 V C -0.241 175.990 176.094 0.228 0.000 1.072 567 V CA -0.299 62.065 62.300 0.106 0.000 1.148 567 V CB 0.855 32.758 31.823 0.133 0.000 0.954 567 V HN 0.765 nan 8.190 nan 0.000 0.490 568 W N 6.294 127.670 121.300 0.126 0.000 2.296 568 W HA 0.462 5.137 4.660 0.024 0.000 0.316 568 W C -0.874 175.644 176.519 -0.001 0.000 1.022 568 W CA -0.630 56.822 57.345 0.178 0.000 1.324 568 W CB 1.288 31.031 29.460 0.471 0.000 1.227 568 W HN 0.923 nan 8.180 nan 0.000 0.409 569 D N 2.734 122.841 120.400 -0.488 0.000 2.825 569 D HA 0.083 4.738 4.640 0.025 0.000 0.327 569 D C 0.614 176.675 176.300 -0.399 0.000 1.277 569 D CA -0.550 53.001 54.000 -0.748 0.000 0.950 569 D CB 0.187 39.916 40.800 -1.785 0.000 1.438 569 D HN 0.404 nan 8.370 nan 0.000 0.526 570 W N 0.406 121.385 121.300 -0.536 0.000 2.380 570 W HA 0.122 4.797 4.660 0.025 0.000 0.317 570 W C -0.077 176.217 176.519 -0.376 0.000 1.196 570 W CA 1.238 58.326 57.345 -0.428 0.000 1.307 570 W CB 0.323 29.558 29.460 -0.375 0.000 1.157 570 W HN 0.155 nan 8.180 nan 0.000 0.483 571 V N 2.632 122.311 119.914 -0.392 0.000 2.638 571 V HA 0.229 4.363 4.120 0.025 0.000 0.306 571 V C -0.914 174.998 176.094 -0.304 0.000 1.052 571 V CA -0.809 61.223 62.300 -0.448 0.000 0.885 571 V CB 1.484 33.167 31.823 -0.234 0.000 0.999 571 V HN -0.100 nan 8.190 nan 0.000 0.424 572 D N 4.256 124.478 120.400 -0.297 0.000 2.493 572 D HA 0.082 4.737 4.640 0.025 0.000 0.240 572 D C 0.376 176.536 176.300 -0.233 0.000 1.142 572 D CA 0.651 54.535 54.000 -0.192 0.000 0.872 572 D CB 0.912 41.686 40.800 -0.044 0.000 1.173 572 D HN 0.621 nan 8.370 nan 0.000 0.467 573 Q N 1.184 120.776 119.800 -0.346 0.000 3.170 573 Q HA 0.116 4.471 4.340 0.025 0.000 0.346 573 Q C -0.013 175.933 176.000 -0.090 0.000 1.333 573 Q CA -0.302 55.059 55.803 -0.737 0.000 0.958 573 Q CB -0.030 28.403 28.738 -0.509 0.000 1.600 573 Q HN 0.349 nan 8.270 nan 0.000 0.482 574 S N -0.264 115.496 115.700 0.101 0.000 2.646 574 S HA 0.617 5.102 4.470 0.025 0.000 0.276 574 S C -0.098 174.668 174.600 0.278 0.000 1.222 574 S CA -0.798 57.574 58.200 0.287 0.000 1.014 574 S CB 1.451 64.805 63.200 0.257 0.000 0.991 574 S HN 0.326 nan 8.310 nan 0.000 0.533 575 L N 1.610 122.915 121.223 0.135 0.000 2.342 575 L HA 0.520 4.875 4.340 0.025 0.000 0.271 575 L C -0.414 176.359 176.870 -0.161 0.000 1.008 575 L CA -1.169 53.624 54.840 -0.078 0.000 0.818 575 L CB 1.404 43.281 42.059 -0.303 0.000 1.296 575 L HN 0.548 nan 8.230 nan 0.000 0.427 576 I N 2.388 122.804 120.570 -0.256 0.000 2.474 576 I HA 0.273 4.458 4.170 0.025 0.000 0.287 576 I C 0.151 175.865 176.117 -0.671 0.000 1.048 576 I CA -0.043 60.973 61.300 -0.473 0.000 1.383 576 I CB 1.139 38.861 38.000 -0.464 0.000 1.412 576 I HN 0.592 nan 8.210 nan 0.000 0.531 577 K N 5.185 124.910 120.400 -1.125 0.000 2.395 577 K HA 0.575 4.910 4.320 0.025 0.000 0.245 577 K C -1.586 174.207 176.600 -1.346 0.000 1.017 577 K CA -0.702 54.846 56.287 -1.230 0.000 0.852 577 K CB 2.322 33.847 32.500 -1.624 0.000 1.311 577 K HN 0.246 nan 8.250 nan 0.000 0.452 578 Y N 0.795 120.837 120.300 -0.430 0.000 2.409 578 Y HA 0.133 4.698 4.550 0.025 0.000 0.343 578 Y C 0.115 176.103 175.900 0.145 0.000 0.973 578 Y CA -1.020 57.015 58.100 -0.109 0.000 1.064 578 Y CB 1.411 39.828 38.460 -0.072 0.000 1.207 578 Y HN 0.693 nan 8.280 nan 0.000 0.452 579 D N 0.359 121.019 120.400 0.433 0.000 2.440 579 D HA 0.053 4.707 4.640 0.025 0.000 0.269 579 D C 0.763 177.178 176.300 0.192 0.000 1.249 579 D CA -0.234 53.969 54.000 0.339 0.000 1.055 579 D CB 0.518 41.456 40.800 0.231 0.000 1.104 579 D HN 0.651 nan 8.370 nan 0.000 0.561 580 E N -0.619 119.654 120.200 0.121 0.000 2.086 580 E HA -0.226 4.138 4.350 0.025 0.000 0.200 580 E C 1.211 177.850 176.600 0.064 0.000 1.012 580 E CA 1.322 57.766 56.400 0.073 0.000 0.812 580 E CB -0.290 29.436 29.700 0.042 0.000 0.743 580 E HN 0.414 nan 8.360 nan 0.000 0.453 581 N N -0.471 118.272 118.700 0.072 0.000 2.521 581 N HA -0.015 4.740 4.740 0.025 0.000 0.188 581 N C 1.005 176.557 175.510 0.070 0.000 1.146 581 N CA 0.997 54.083 53.050 0.059 0.000 0.893 581 N CB 0.822 39.346 38.487 0.061 0.000 0.975 581 N HN 0.357 nan 8.380 nan 0.000 0.451 582 G N 0.307 109.169 108.800 0.104 0.000 2.141 582 G HA2 -0.251 3.724 3.960 0.025 0.000 0.242 582 G HA3 -0.251 3.724 3.960 0.025 0.000 0.242 582 G C -0.272 174.759 174.900 0.218 0.000 0.982 582 G CA -0.392 44.768 45.100 0.099 0.000 0.662 582 G HN 0.284 nan 8.290 nan 0.000 0.527 583 N N 1.931 120.772 118.700 0.235 0.000 2.455 583 N HA 0.479 5.234 4.740 0.025 0.000 0.280 583 N C -2.401 173.270 175.510 0.268 0.000 1.055 583 N CA -1.331 51.862 53.050 0.240 0.000 0.961 583 N CB 1.814 40.399 38.487 0.163 0.000 1.121 583 N HN 0.211 nan 8.380 nan 0.000 0.476 584 P HA 0.273 nan 4.420 nan 0.000 0.278 584 P C -0.531 176.731 177.300 -0.064 0.000 1.238 584 P CA -0.334 62.627 63.100 -0.232 0.000 0.794 584 P CB 0.754 32.293 31.700 -0.268 0.000 0.955 585 W N -0.618 120.448 121.300 -0.391 0.000 3.167 585 W HA 0.424 5.098 4.660 0.025 0.000 0.324 585 W C -1.490 174.842 176.519 -0.312 0.000 1.230 585 W CA -1.067 56.048 57.345 -0.384 0.000 1.184 585 W CB 0.366 29.337 29.460 -0.815 0.000 1.414 585 W HN 0.115 nan 8.180 nan 0.000 0.551 586 S N 1.537 117.312 115.700 0.125 0.000 2.465 586 S HA 0.607 5.092 4.470 0.025 0.000 0.279 586 S C 0.149 174.934 174.600 0.308 0.000 1.201 586 S CA -0.265 58.009 58.200 0.123 0.000 1.053 586 S CB 0.920 64.248 63.200 0.213 0.000 0.953 586 S HN 0.608 nan 8.310 nan 0.000 0.488 587 A N 2.978 125.850 122.820 0.086 0.000 2.337 587 A HA 0.895 5.229 4.320 0.025 0.000 0.331 587 A C -0.722 177.138 177.584 0.461 0.000 1.137 587 A CA -0.731 51.402 52.037 0.160 0.000 0.807 587 A CB 0.677 19.491 19.000 -0.310 0.000 1.250 587 A HN 0.844 nan 8.150 nan 0.000 0.468 588 Y N -0.792 119.826 120.300 0.530 0.000 2.944 588 Y HA 0.777 5.342 4.550 0.025 0.000 0.312 588 Y C 0.654 176.921 175.900 0.612 0.000 1.417 588 Y CA -1.345 57.067 58.100 0.521 0.000 1.105 588 Y CB -0.072 38.527 38.460 0.232 0.000 1.364 588 Y HN 0.895 nan 8.280 nan 0.000 0.540 589 G N -0.283 108.926 108.800 0.682 0.000 2.321 589 G HA2 0.376 4.351 3.960 0.025 0.000 0.237 589 G HA3 0.376 4.351 3.960 0.025 0.000 0.237 589 G C 0.941 176.161 174.900 0.533 0.000 1.282 589 G CA 0.352 45.774 45.100 0.537 0.000 0.886 589 G HN 1.968 nan 8.290 nan 0.000 0.528 590 G N 2.013 111.088 108.800 0.458 0.000 2.253 590 G HA2 -0.276 3.698 3.960 0.025 0.000 0.251 590 G HA3 -0.276 3.698 3.960 0.025 0.000 0.251 590 G C 0.899 175.978 174.900 0.298 0.000 0.998 590 G CA 0.669 45.972 45.100 0.338 0.000 0.621 590 G HN 0.639 nan 8.290 nan 0.000 0.524 591 D N -0.265 120.321 120.400 0.310 0.000 2.378 591 D HA 0.162 4.817 4.640 0.025 0.000 0.227 591 D C 1.292 177.407 176.300 -0.309 0.000 1.012 591 D CA 0.432 54.442 54.000 0.017 0.000 0.905 591 D CB -0.182 40.584 40.800 -0.055 0.000 0.895 591 D HN 0.477 nan 8.370 nan 0.000 0.532 592 F N -0.837 119.234 119.950 0.203 0.000 2.654 592 F HA 0.301 4.843 4.527 0.025 0.000 0.303 592 F C 1.793 177.675 175.800 0.136 0.000 1.099 592 F CA -0.151 57.927 58.000 0.130 0.000 1.270 592 F CB 0.787 39.859 39.000 0.120 0.000 1.024 592 F HN -0.049 nan 8.300 nan 0.000 0.548 593 G N 0.341 109.282 108.800 0.234 0.000 2.176 593 G HA2 -0.267 3.708 3.960 0.025 0.000 0.253 593 G HA3 -0.267 3.708 3.960 0.025 0.000 0.253 593 G C -0.235 174.795 174.900 0.217 0.000 0.979 593 G CA 0.102 45.315 45.100 0.188 0.000 0.641 593 G HN 0.394 nan 8.290 nan 0.000 0.530 594 D N 0.509 121.084 120.400 0.292 0.000 2.383 594 D HA 0.512 5.167 4.640 0.025 0.000 0.252 594 D C 0.071 176.486 176.300 0.192 0.000 1.166 594 D CA 0.842 55.004 54.000 0.270 0.000 0.879 594 D CB 1.684 42.709 40.800 0.374 0.000 1.164 594 D HN 0.278 nan 8.370 nan 0.000 0.462 595 T N 1.193 115.830 114.554 0.139 0.000 3.012 595 T HA 0.425 4.790 4.350 0.025 0.000 0.330 595 T C -2.718 172.014 174.700 0.053 0.000 1.321 595 T CA -1.108 61.045 62.100 0.089 0.000 1.067 595 T CB 1.163 70.084 68.868 0.088 0.000 1.235 595 T HN 0.237 nan 8.240 nan 0.000 0.479 596 P HA 0.525 nan 4.420 nan 0.000 0.273 596 P C -0.989 176.297 177.300 -0.025 0.000 1.250 596 P CA -0.373 62.723 63.100 -0.007 0.000 0.793 596 P CB 0.364 32.034 31.700 -0.050 0.000 1.011 597 N N -2.039 116.639 118.700 -0.037 0.000 2.825 597 N HA 0.289 5.044 4.740 0.025 0.000 0.253 597 N C -1.231 174.210 175.510 -0.116 0.000 1.426 597 N CA -0.756 52.245 53.050 -0.082 0.000 0.851 597 N CB 0.738 39.270 38.487 0.076 0.000 1.470 597 N HN 0.074 nan 8.380 nan 0.000 0.517 598 D N -0.216 120.051 120.400 -0.221 0.000 2.643 598 D HA 0.146 4.801 4.640 0.025 0.000 0.244 598 D C 0.460 176.933 176.300 0.289 0.000 1.257 598 D CA -0.142 53.807 54.000 -0.085 0.000 0.831 598 D CB 0.159 40.758 40.800 -0.334 0.000 1.043 598 D HN 0.731 nan 8.370 nan 0.000 0.488 599 R N 0.838 121.521 120.500 0.306 0.000 3.682 599 R HA -0.326 4.028 4.340 0.025 0.000 0.519 599 R C 1.090 177.444 176.300 0.091 0.000 0.241 599 R CA 1.540 57.833 56.100 0.321 0.000 1.619 599 R CB -1.585 28.823 30.300 0.179 0.000 0.923 599 R HN 0.159 nan 8.270 nan 0.000 0.598 600 Q N 1.499 121.024 119.800 -0.459 0.000 2.444 600 Q HA 0.011 4.366 4.340 0.025 0.000 0.206 600 Q C 1.539 177.281 176.000 -0.430 0.000 0.948 600 Q CA 1.204 56.550 55.803 -0.761 0.000 0.946 600 Q CB 0.049 28.103 28.738 -1.141 0.000 1.027 600 Q HN 0.614 nan 8.270 nan 0.000 0.513 601 F N 1.469 121.360 119.950 -0.099 0.000 2.641 601 F HA -0.105 4.436 4.527 0.025 0.000 0.298 601 F C 2.124 177.890 175.800 -0.055 0.000 1.146 601 F CA 0.927 58.940 58.000 0.021 0.000 1.464 601 F CB -0.066 38.999 39.000 0.109 0.000 1.101 601 F HN 0.410 nan 8.300 nan 0.000 0.585 602 C N -1.473 117.594 119.300 -0.388 0.000 2.562 602 C HA 0.227 4.702 4.460 0.025 0.000 0.266 602 C C 1.030 175.844 174.990 -0.292 0.000 1.382 602 C CA -0.489 58.104 59.018 -0.708 0.000 1.742 602 C CB -1.543 25.232 27.740 -1.608 0.000 1.812 602 C HN 0.175 nan 8.230 nan 0.000 0.559 603 M N 2.713 122.190 119.600 -0.205 0.000 2.103 603 M HA 0.277 4.772 4.480 0.025 0.000 0.350 603 M C -0.493 175.727 176.300 -0.133 0.000 1.100 603 M CA 0.360 55.576 55.300 -0.140 0.000 1.042 603 M CB -0.060 32.482 32.600 -0.096 0.000 1.368 603 M HN 0.372 nan 8.290 nan 0.000 0.404 604 N N 0.903 119.527 118.700 -0.127 0.000 2.305 604 N HA 0.214 4.969 4.740 0.025 0.000 0.248 604 N C 0.322 175.661 175.510 -0.286 0.000 1.290 604 N CA -0.543 52.398 53.050 -0.181 0.000 0.873 604 N CB 1.250 39.725 38.487 -0.019 0.000 1.261 604 N HN 0.646 nan 8.380 nan 0.000 0.504 605 G N -0.087 108.496 108.800 -0.361 0.000 2.477 605 G HA2 0.381 4.355 3.960 0.025 0.000 0.304 605 G HA3 0.381 4.355 3.960 0.025 0.000 0.304 605 G C 0.676 175.094 174.900 -0.802 0.000 1.175 605 G CA -0.561 44.208 45.100 -0.553 0.000 0.907 605 G HN 0.090 nan 8.290 nan 0.000 0.509 606 L N -0.265 120.487 121.223 -0.785 0.000 2.313 606 L HA 0.112 4.467 4.340 0.025 0.000 0.214 606 L C 0.954 177.188 176.870 -1.060 0.000 1.119 606 L CA 0.444 54.828 54.840 -0.761 0.000 0.809 606 L CB -0.217 41.516 42.059 -0.544 0.000 0.933 606 L HN 0.390 nan 8.230 nan 0.000 0.449 607 V N -4.895 114.287 119.914 -1.219 0.000 2.864 607 V HA 0.461 4.596 4.120 0.025 0.000 0.314 607 V C -0.204 175.427 176.094 -0.770 0.000 1.073 607 V CA -1.280 60.450 62.300 -0.951 0.000 0.956 607 V CB 1.544 32.867 31.823 -0.833 0.000 1.023 607 V HN -0.138 nan 8.190 nan 0.000 0.435 608 F N 1.642 121.474 119.950 -0.196 0.000 2.485 608 F HA 0.530 5.072 4.527 0.025 0.000 0.327 608 F C 1.943 177.681 175.800 -0.103 0.000 1.203 608 F CA 0.622 58.621 58.000 -0.003 0.000 1.295 608 F CB 0.889 39.910 39.000 0.036 0.000 1.191 608 F HN 0.783 nan 8.300 nan 0.000 0.588 609 A N 0.851 123.774 122.820 0.172 0.000 2.032 609 A HA -0.234 4.101 4.320 0.025 0.000 0.221 609 A C 1.629 179.211 177.584 -0.003 0.000 1.165 609 A CA 1.933 54.020 52.037 0.084 0.000 0.645 609 A CB -0.948 18.132 19.000 0.134 0.000 0.807 609 A HN 0.799 nan 8.150 nan 0.000 0.453 610 D N -3.055 117.358 120.400 0.022 0.000 2.319 610 D HA 0.145 4.800 4.640 0.025 0.000 0.230 610 D C 0.665 176.966 176.300 0.001 0.000 1.094 610 D CA 0.005 53.984 54.000 -0.034 0.000 0.856 610 D CB -0.063 40.714 40.800 -0.039 0.000 0.915 610 D HN 0.206 nan 8.370 nan 0.000 0.517 611 R N -1.874 118.632 120.500 0.010 0.000 3.728 611 R HA -0.120 4.234 4.340 0.025 0.000 0.478 611 R C -0.249 176.066 176.300 0.025 0.000 0.932 611 R CA 1.089 57.187 56.100 -0.003 0.000 1.317 611 R CB -3.199 27.135 30.300 0.057 0.000 1.987 611 R HN 0.259 nan 8.270 nan 0.000 0.509 612 T N 2.536 117.143 114.554 0.088 0.000 2.916 612 T HA 0.347 4.712 4.350 0.025 0.000 0.303 612 T C -2.269 172.551 174.700 0.200 0.000 1.025 612 T CA -0.640 61.537 62.100 0.127 0.000 1.142 612 T CB 1.036 69.968 68.868 0.107 0.000 0.947 612 T HN -0.086 nan 8.240 nan 0.000 0.544 613 P HA 0.236 nan 4.420 nan 0.000 0.277 613 P C -0.157 177.225 177.300 0.136 0.000 1.240 613 P CA -0.422 62.692 63.100 0.023 0.000 0.798 613 P CB 0.497 32.203 31.700 0.010 0.000 0.979 614 H N 1.870 120.794 119.070 -0.243 0.000 2.546 614 H HA 0.116 4.687 4.556 0.025 0.000 0.365 614 H C -1.321 173.919 175.328 -0.146 0.000 1.220 614 H CA -1.866 54.007 56.048 -0.292 0.000 1.386 614 H CB 0.301 29.838 29.762 -0.376 0.000 1.510 614 H HN 0.334 nan 8.280 nan 0.000 0.591 615 P HA -0.160 nan 4.420 nan 0.000 0.218 615 P C 1.141 178.448 177.300 0.011 0.000 1.148 615 P CA 1.407 64.506 63.100 -0.002 0.000 0.822 615 P CB 0.041 31.737 31.700 -0.007 0.000 0.784 616 A N -0.583 122.245 122.820 0.014 0.000 2.070 616 A HA -0.177 4.158 4.320 0.025 0.000 0.220 616 A C 2.052 179.590 177.584 -0.077 0.000 1.159 616 A CA 1.143 53.151 52.037 -0.048 0.000 0.656 616 A CB -1.578 17.369 19.000 -0.089 0.000 0.800 616 A HN 0.163 nan 8.150 nan 0.000 0.453 617 L N -0.521 120.670 121.223 -0.053 0.000 2.079 617 L HA -0.135 4.219 4.340 0.025 0.000 0.210 617 L C 2.528 179.445 176.870 0.078 0.000 1.081 617 L CA 2.689 57.531 54.840 0.003 0.000 0.752 617 L CB -0.907 41.150 42.059 -0.004 0.000 0.896 617 L HN 0.391 nan 8.230 nan 0.000 0.433 618 T N -1.765 112.840 114.554 0.085 0.000 2.867 618 T HA -0.188 4.177 4.350 0.025 0.000 0.268 618 T C 1.809 176.628 174.700 0.199 0.000 1.057 618 T CA 1.394 63.599 62.100 0.175 0.000 1.136 618 T CB -0.120 68.823 68.868 0.125 0.000 0.874 618 T HN 0.472 nan 8.240 nan 0.000 0.466 619 E N 0.791 121.048 120.200 0.096 0.000 2.106 619 E HA 0.069 4.434 4.350 0.025 0.000 0.192 619 E C 2.169 178.806 176.600 0.061 0.000 0.984 619 E CA 1.341 57.809 56.400 0.113 0.000 0.806 619 E CB -0.621 29.109 29.700 0.051 0.000 0.750 619 E HN 0.545 nan 8.360 nan 0.000 0.458 620 A N 0.987 123.737 122.820 -0.117 0.000 1.877 620 A HA -0.227 4.107 4.320 0.025 0.000 0.216 620 A C 2.174 179.662 177.584 -0.161 0.000 1.186 620 A CA 1.926 53.840 52.037 -0.206 0.000 0.620 620 A CB -0.640 18.230 19.000 -0.217 0.000 0.822 620 A HN 0.261 nan 8.150 nan 0.000 0.443 621 K N -1.265 119.119 120.400 -0.026 0.000 2.044 621 K HA -0.299 4.036 4.320 0.025 0.000 0.210 621 K C 2.075 178.593 176.600 -0.136 0.000 1.049 621 K CA 2.115 58.399 56.287 -0.005 0.000 0.927 621 K CB -0.351 32.307 32.500 0.263 0.000 0.713 621 K HN 0.669 nan 8.250 nan 0.000 0.443 622 H N 0.242 119.161 119.070 -0.251 0.000 2.326 622 H HA -0.025 4.546 4.556 0.025 0.000 0.301 622 H C 1.970 177.031 175.328 -0.445 0.000 1.081 622 H CA 1.772 57.465 56.048 -0.591 0.000 1.334 622 H CB 0.109 29.558 29.762 -0.521 0.000 1.385 622 H HN 0.236 nan 8.280 nan 0.000 0.504 623 Q N 0.226 119.801 119.800 -0.376 0.000 2.224 623 Q HA -0.094 4.261 4.340 0.025 0.000 0.203 623 Q C 1.596 177.048 176.000 -0.913 0.000 0.970 623 Q CA 1.172 56.662 55.803 -0.522 0.000 0.865 623 Q CB 0.042 28.624 28.738 -0.261 0.000 0.922 623 Q HN 0.714 nan 8.270 nan 0.000 0.445 624 Q N 0.152 119.369 119.800 -0.972 0.000 2.365 624 Q HA 0.067 4.421 4.340 0.025 0.000 0.203 624 Q C -0.037 175.382 176.000 -0.969 0.000 0.929 624 Q CA -0.205 54.868 55.803 -1.218 0.000 0.948 624 Q CB 0.313 28.388 28.738 -1.106 0.000 1.043 624 Q HN 0.381 nan 8.270 nan 0.000 0.505 625 Q N -0.475 118.915 119.800 -0.683 0.000 2.428 625 Q HA -0.047 4.308 4.340 0.025 0.000 0.276 625 Q C -0.108 175.519 176.000 -0.621 0.000 1.059 625 Q CA 0.432 55.966 55.803 -0.448 0.000 0.923 625 Q CB 0.453 29.011 28.738 -0.301 0.000 1.283 625 Q HN 0.300 nan 8.270 nan 0.000 0.447 626 F N 0.224 119.943 119.950 -0.385 0.000 2.727 626 F HA 0.223 4.765 4.527 0.024 0.000 0.302 626 F C -0.145 175.084 175.800 -0.951 0.000 1.097 626 F CA -0.014 57.520 58.000 -0.776 0.000 1.330 626 F CB 0.585 38.832 39.000 -1.256 0.000 1.084 626 F HN 0.312 nan 8.300 nan 0.000 0.578 627 F N 0.326 120.204 119.950 -0.121 0.000 2.507 627 F HA 0.472 5.015 4.527 0.026 0.000 0.325 627 F C -0.050 175.400 175.800 -0.583 0.000 1.116 627 F CA -1.080 56.738 58.000 -0.303 0.000 0.930 627 F CB 1.286 40.144 39.000 -0.237 0.000 1.146 627 F HN -0.335 nan 8.300 nan 0.000 0.447 628 Q N 2.961 122.499 119.800 -0.437 0.000 2.257 628 Q HA 0.581 4.936 4.340 0.025 0.000 0.262 628 Q C -1.308 174.387 176.000 -0.508 0.000 0.997 628 Q CA -0.618 54.966 55.803 -0.365 0.000 0.873 628 Q CB 2.752 31.400 28.738 -0.151 0.000 1.312 628 Q HN 0.554 nan 8.270 nan 0.000 0.450 629 F N 0.054 120.127 119.950 0.204 0.000 2.588 629 F HA 0.591 5.134 4.527 0.025 0.000 0.314 629 F C 0.342 176.380 175.800 0.397 0.000 1.069 629 F CA -0.839 57.358 58.000 0.328 0.000 0.931 629 F CB 2.141 41.447 39.000 0.510 0.000 1.260 629 F HN 0.123 nan 8.300 nan 0.000 0.465 630 R N 1.520 122.321 120.500 0.503 0.000 2.725 630 R HA 0.718 5.072 4.340 0.025 0.000 0.277 630 R C -1.975 174.370 176.300 0.074 0.000 0.987 630 R CA -1.228 55.079 56.100 0.346 0.000 0.901 630 R CB 3.016 33.419 30.300 0.172 0.000 1.207 630 R HN 0.593 nan 8.270 nan 0.000 0.463 631 L N 0.401 121.518 121.223 -0.176 0.000 2.365 631 L HA 0.588 4.943 4.340 0.025 0.000 0.273 631 L C -1.074 175.625 176.870 -0.285 0.000 1.000 631 L CA 0.030 54.547 54.840 -0.537 0.000 0.819 631 L CB 2.227 43.466 42.059 -1.368 0.000 1.284 631 L HN 0.524 nan 8.230 nan 0.000 0.418 632 S N 3.487 119.045 115.700 -0.236 0.000 2.776 632 S HA 0.685 5.169 4.470 0.025 0.000 0.284 632 S C 0.252 174.757 174.600 -0.159 0.000 1.160 632 S CA 0.216 58.327 58.200 -0.150 0.000 1.051 632 S CB 0.377 63.525 63.200 -0.085 0.000 1.037 632 S HN 1.591 nan 8.310 nan 0.000 0.485 633 G N 4.453 113.161 108.800 -0.153 0.000 2.602 633 G HA2 -0.344 3.631 3.960 0.025 0.000 0.310 633 G HA3 -0.344 3.631 3.960 0.025 0.000 0.310 633 G C 0.467 175.254 174.900 -0.188 0.000 1.183 633 G CA 0.960 45.974 45.100 -0.144 0.000 0.979 633 G HN 0.697 nan 8.290 nan 0.000 0.545 634 Q N 1.319 121.014 119.800 -0.175 0.000 2.220 634 Q HA 0.366 4.721 4.340 0.025 0.000 0.205 634 Q C 0.316 176.180 176.000 -0.228 0.000 0.865 634 Q CA 0.826 56.500 55.803 -0.215 0.000 0.960 634 Q CB 0.366 28.994 28.738 -0.183 0.000 1.097 634 Q HN 0.652 nan 8.270 nan 0.000 0.493 635 T N 0.037 114.471 114.554 -0.200 0.000 2.744 635 T HA 0.509 4.874 4.350 0.025 0.000 0.291 635 T C -0.049 174.528 174.700 -0.206 0.000 0.957 635 T CA -0.431 61.567 62.100 -0.171 0.000 1.002 635 T CB 0.986 69.787 68.868 -0.112 0.000 0.919 635 T HN 0.061 nan 8.240 nan 0.000 0.468 636 I N 2.719 123.189 120.570 -0.167 0.000 2.321 636 I HA 0.320 4.505 4.170 0.025 0.000 0.291 636 I C 0.477 176.610 176.117 0.026 0.000 0.998 636 I CA -0.567 60.670 61.300 -0.105 0.000 1.227 636 I CB 1.331 39.300 38.000 -0.051 0.000 1.368 636 I HN 0.638 nan 8.210 nan 0.000 0.466 637 E N 6.572 126.820 120.200 0.081 0.000 2.133 637 E HA 0.467 4.832 4.350 0.025 0.000 0.274 637 E C -1.514 175.191 176.600 0.175 0.000 0.930 637 E CA -0.623 55.838 56.400 0.101 0.000 0.770 637 E CB 1.581 31.325 29.700 0.072 0.000 1.104 637 E HN 0.372 nan 8.360 nan 0.000 0.403 638 V N 4.126 124.129 119.914 0.149 0.000 2.394 638 V HA 0.333 4.468 4.120 0.025 0.000 0.282 638 V C 0.002 176.127 176.094 0.050 0.000 1.031 638 V CA -0.502 61.853 62.300 0.091 0.000 0.881 638 V CB 1.725 33.633 31.823 0.142 0.000 0.982 638 V HN 0.718 nan 8.190 nan 0.000 0.451 639 T N 3.244 117.787 114.554 -0.018 0.000 2.807 639 T HA 0.346 4.711 4.350 0.025 0.000 0.279 639 T C -0.125 174.591 174.700 0.025 0.000 0.993 639 T CA -0.262 61.844 62.100 0.011 0.000 0.970 639 T CB 1.597 70.447 68.868 -0.031 0.000 0.950 639 T HN 0.671 nan 8.240 nan 0.000 0.441 640 S N 1.687 117.416 115.700 0.048 0.000 2.499 640 S HA 0.225 4.710 4.470 0.025 0.000 0.279 640 S C 0.798 175.287 174.600 -0.186 0.000 1.219 640 S CA -0.549 57.613 58.200 -0.063 0.000 1.062 640 S CB 0.564 63.796 63.200 0.053 0.000 0.978 640 S HN 0.720 nan 8.310 nan 0.000 0.489 641 E N 3.046 123.027 120.200 -0.366 0.000 2.474 641 E HA 0.082 4.447 4.350 0.025 0.000 0.195 641 E C -0.709 175.700 176.600 -0.318 0.000 1.039 641 E CA -0.095 56.121 56.400 -0.307 0.000 0.881 641 E CB 0.275 29.783 29.700 -0.319 0.000 0.970 641 E HN 0.693 nan 8.360 nan 0.000 0.486 642 Y N 0.476 120.651 120.300 -0.208 0.000 2.480 642 Y HA -0.031 4.534 4.550 0.024 0.000 0.338 642 Y C 1.464 177.194 175.900 -0.284 0.000 1.220 642 Y CA 0.158 58.127 58.100 -0.218 0.000 1.430 642 Y CB 0.713 39.028 38.460 -0.241 0.000 1.311 642 Y HN -0.032 nan 8.280 nan 0.000 0.575 643 L N 1.173 122.224 121.223 -0.285 0.000 2.408 643 L HA 0.064 4.419 4.340 0.025 0.000 0.215 643 L C 0.780 177.242 176.870 -0.681 0.000 1.081 643 L CA 0.626 55.073 54.840 -0.654 0.000 0.840 643 L CB 0.021 41.317 42.059 -1.272 0.000 1.002 643 L HN 0.661 nan 8.230 nan 0.000 0.468 644 F N -0.295 119.661 119.950 0.009 0.000 2.640 644 F HA 0.201 4.742 4.527 0.023 0.000 0.285 644 F C 1.278 177.061 175.800 -0.030 0.000 1.031 644 F CA -0.761 57.223 58.000 -0.028 0.000 1.240 644 F CB 0.408 39.375 39.000 -0.055 0.000 1.011 644 F HN -0.137 nan 8.300 nan 0.000 0.656 645 R N 0.377 120.924 120.500 0.078 0.000 2.598 645 R HA 0.390 4.745 4.340 0.025 0.000 0.279 645 R C -0.620 175.655 176.300 -0.040 0.000 0.984 645 R CA -0.620 55.479 56.100 -0.002 0.000 0.999 645 R CB 0.786 30.979 30.300 -0.179 0.000 1.114 645 R HN 0.098 nan 8.270 nan 0.000 0.493 646 H N 0.489 119.553 119.070 -0.011 0.000 2.546 646 H HA 0.048 4.618 4.556 0.025 0.000 0.365 646 H C 0.250 175.599 175.328 0.035 0.000 1.220 646 H CA 0.254 56.325 56.048 0.039 0.000 1.386 646 H CB 1.601 31.389 29.762 0.043 0.000 1.510 646 H HN 0.771 nan 8.280 nan 0.000 0.591 647 S N 0.888 116.721 115.700 0.221 0.000 4.069 647 S HA -0.054 4.431 4.470 0.025 0.000 0.192 647 S C 0.332 175.026 174.600 0.158 0.000 1.441 647 S CA -0.615 57.728 58.200 0.237 0.000 0.994 647 S CB -0.795 62.588 63.200 0.305 0.000 1.456 647 S HN 0.562 nan 8.310 nan 0.000 0.458 648 D N 0.538 121.007 120.400 0.116 0.000 2.319 648 D HA 0.037 4.691 4.640 0.025 0.000 0.230 648 D C 0.351 176.688 176.300 0.062 0.000 1.094 648 D CA -0.157 53.892 54.000 0.082 0.000 0.856 648 D CB -0.344 40.491 40.800 0.059 0.000 0.915 648 D HN 0.490 nan 8.370 nan 0.000 0.517 649 N N 0.067 118.814 118.700 0.078 0.000 2.636 649 N HA 0.161 4.915 4.740 0.025 0.000 0.287 649 N C -1.529 174.041 175.510 0.100 0.000 1.817 649 N CA -0.195 52.897 53.050 0.071 0.000 0.842 649 N CB 0.326 38.847 38.487 0.057 0.000 1.353 649 N HN -0.046 nan 8.380 nan 0.000 0.500 650 E N -0.043 120.209 120.200 0.087 0.000 2.352 650 E HA 0.498 4.863 4.350 0.025 0.000 0.280 650 E C -1.339 175.291 176.600 0.050 0.000 0.930 650 E CA -0.710 55.736 56.400 0.076 0.000 0.765 650 E CB 2.240 31.965 29.700 0.042 0.000 1.219 650 E HN 0.290 nan 8.360 nan 0.000 0.434 651 L N 0.359 121.617 121.223 0.058 0.000 2.393 651 L HA 0.738 5.093 4.340 0.025 0.000 0.260 651 L C -1.587 175.343 176.870 0.099 0.000 1.002 651 L CA -1.234 53.650 54.840 0.073 0.000 0.818 651 L CB 1.481 43.586 42.059 0.077 0.000 1.369 651 L HN 0.551 nan 8.230 nan 0.000 0.412 652 L N 2.698 123.998 121.223 0.129 0.000 2.272 652 L HA 0.465 4.820 4.340 0.025 0.000 0.289 652 L C -0.500 176.506 176.870 0.228 0.000 1.032 652 L CA 0.006 54.955 54.840 0.182 0.000 0.810 652 L CB 0.812 42.990 42.059 0.199 0.000 1.205 652 L HN 0.678 nan 8.230 nan 0.000 0.422 653 H N 6.060 125.199 119.070 0.116 0.000 2.458 653 H HA 0.353 4.924 4.556 0.025 0.000 0.330 653 H C -1.604 173.807 175.328 0.137 0.000 1.111 653 H CA -0.593 55.482 56.048 0.045 0.000 1.245 653 H CB 0.934 30.689 29.762 -0.011 0.000 1.456 653 H HN 0.743 nan 8.280 nan 0.000 0.488 654 W N 5.086 126.078 121.300 -0.514 0.000 2.950 654 W HA 0.523 5.197 4.660 0.025 0.000 0.340 654 W C -2.017 174.276 176.519 -0.376 0.000 1.139 654 W CA -1.261 55.915 57.345 -0.281 0.000 1.188 654 W CB 1.398 30.791 29.460 -0.110 0.000 1.426 654 W HN 0.493 nan 8.180 nan 0.000 0.531 655 M N 3.172 122.876 119.600 0.173 0.000 2.371 655 M HA 0.576 5.071 4.480 0.025 0.000 0.287 655 M C -2.545 173.938 176.300 0.304 0.000 1.149 655 M CA -0.832 54.514 55.300 0.076 0.000 0.929 655 M CB 1.882 34.465 32.600 -0.028 0.000 1.683 655 M HN 0.206 nan 8.290 nan 0.000 0.470 656 V N 4.137 124.235 119.914 0.308 0.000 2.417 656 V HA 0.998 5.133 4.120 0.025 0.000 0.291 656 V C -0.378 175.830 176.094 0.190 0.000 1.024 656 V CA -0.141 62.325 62.300 0.278 0.000 0.861 656 V CB 1.063 33.064 31.823 0.297 0.000 0.985 656 V HN 1.073 nan 8.190 nan 0.000 0.436 657 A N 4.784 127.733 122.820 0.215 0.000 2.475 657 A HA 0.866 5.200 4.320 0.025 0.000 0.301 657 A C -1.398 176.339 177.584 0.256 0.000 1.059 657 A CA -0.635 51.505 52.037 0.173 0.000 0.710 657 A CB 1.706 20.763 19.000 0.095 0.000 1.288 657 A HN 0.816 nan 8.150 nan 0.000 0.408 658 L N 1.674 123.005 121.223 0.181 0.000 2.264 658 L HA 0.482 4.837 4.340 0.025 0.000 0.287 658 L C -0.488 176.513 176.870 0.217 0.000 1.039 658 L CA 0.240 55.201 54.840 0.201 0.000 0.829 658 L CB 0.065 42.194 42.059 0.116 0.000 1.211 658 L HN 0.743 nan 8.230 nan 0.000 0.427 659 D N 5.053 125.680 120.400 0.378 0.000 2.720 659 D HA -0.212 4.443 4.640 0.025 0.000 0.229 659 D C 1.204 177.558 176.300 0.091 0.000 1.198 659 D CA 1.490 55.691 54.000 0.336 0.000 0.639 659 D CB -0.891 40.084 40.800 0.293 0.000 1.003 659 D HN 1.162 nan 8.370 nan 0.000 0.411 660 G N -0.519 108.269 108.800 -0.020 0.000 2.241 660 G HA2 -0.343 3.632 3.960 0.025 0.000 0.244 660 G HA3 -0.343 3.632 3.960 0.025 0.000 0.244 660 G C 0.216 175.039 174.900 -0.129 0.000 0.998 660 G CA 0.399 45.382 45.100 -0.194 0.000 0.621 660 G HN 0.476 nan 8.290 nan 0.000 0.519 661 K N 2.143 122.522 120.400 -0.035 0.000 2.264 661 K HA 0.452 4.786 4.320 0.025 0.000 0.277 661 K C -2.762 173.839 176.600 0.001 0.000 1.067 661 K CA -1.852 54.420 56.287 -0.026 0.000 0.900 661 K CB 2.054 34.555 32.500 0.002 0.000 1.124 661 K HN 0.102 nan 8.250 nan 0.000 0.469 662 P HA 0.020 nan 4.420 nan 0.000 0.267 662 P C 0.011 177.322 177.300 0.018 0.000 1.205 662 P CA 0.092 63.190 63.100 -0.004 0.000 0.765 662 P CB 0.712 32.392 31.700 -0.033 0.000 0.828 663 L N 1.706 122.958 121.223 0.048 0.000 2.467 663 L HA 0.459 4.814 4.340 0.025 0.000 0.213 663 L C 1.038 177.945 176.870 0.063 0.000 1.053 663 L CA 0.470 55.345 54.840 0.058 0.000 0.847 663 L CB 0.060 42.166 42.059 0.079 0.000 1.075 663 L HN 0.407 nan 8.230 nan 0.000 0.479 664 A N -0.637 122.232 122.820 0.081 0.000 2.601 664 A HA 0.724 5.058 4.320 0.025 0.000 0.291 664 A C -1.059 176.461 177.584 -0.105 0.000 1.075 664 A CA 0.119 52.196 52.037 0.066 0.000 0.671 664 A CB 1.532 20.678 19.000 0.242 0.000 1.277 664 A HN 0.068 nan 8.150 nan 0.000 0.417 665 S N -1.102 114.277 115.700 -0.534 0.000 2.627 665 S HA 0.917 5.402 4.470 0.025 0.000 0.268 665 S C -0.289 173.341 174.600 -1.616 0.000 1.130 665 S CA 0.086 57.452 58.200 -1.390 0.000 0.819 665 S CB 0.768 63.562 63.200 -0.677 0.000 1.100 665 S HN 2.694 nan 8.310 nan 0.000 0.465 666 G N -0.140 107.409 108.800 -2.085 0.000 2.489 666 G HA2 0.653 4.628 3.960 0.025 0.000 0.305 666 G HA3 0.653 4.628 3.960 0.025 0.000 0.305 666 G C -2.237 172.224 174.900 -0.731 0.000 1.311 666 G CA -0.344 44.150 45.100 -1.011 0.000 0.813 666 G HN 1.190 nan 8.290 nan 0.000 0.480 667 E N -1.351 118.781 120.200 -0.115 0.000 2.331 667 E HA 0.690 5.055 4.350 0.025 0.000 0.275 667 E C -1.820 174.880 176.600 0.166 0.000 0.895 667 E CA -0.939 55.511 56.400 0.084 0.000 0.753 667 E CB 2.655 32.429 29.700 0.124 0.000 1.216 667 E HN 0.502 nan 8.360 nan 0.000 0.434 668 V N 1.911 121.934 119.914 0.182 0.000 2.888 668 V HA 0.443 4.578 4.120 0.025 0.000 0.309 668 V C -2.560 173.607 176.094 0.121 0.000 1.114 668 V CA -1.877 60.516 62.300 0.154 0.000 0.940 668 V CB 2.268 34.197 31.823 0.177 0.000 1.021 668 V HN 0.689 nan 8.190 nan 0.000 0.426 669 P HA 0.419 nan 4.420 nan 0.000 0.278 669 P C -1.039 176.306 177.300 0.076 0.000 1.238 669 P CA -0.307 62.840 63.100 0.078 0.000 0.794 669 P CB 0.764 32.504 31.700 0.067 0.000 0.955 670 L N 2.699 123.960 121.223 0.063 0.000 2.295 670 L HA 0.405 4.759 4.340 0.025 0.000 0.285 670 L C 0.105 177.025 176.870 0.082 0.000 1.035 670 L CA -0.102 54.770 54.840 0.054 0.000 0.806 670 L CB 1.248 43.297 42.059 -0.018 0.000 1.214 670 L HN 0.348 nan 8.230 nan 0.000 0.426 671 D N 3.230 123.692 120.400 0.104 0.000 2.468 671 D HA 0.319 4.974 4.640 0.025 0.000 0.272 671 D C -1.260 175.146 176.300 0.177 0.000 1.221 671 D CA -0.157 53.931 54.000 0.146 0.000 0.860 671 D CB 0.998 41.871 40.800 0.122 0.000 1.190 671 D HN 0.044 nan 8.370 nan 0.000 0.509 672 V N 1.409 121.438 119.914 0.192 0.000 2.495 672 V HA 0.852 4.987 4.120 0.025 0.000 0.298 672 V C 0.953 177.053 176.094 0.010 0.000 1.031 672 V CA -1.186 61.205 62.300 0.152 0.000 0.871 672 V CB 1.201 33.154 31.823 0.217 0.000 0.988 672 V HN 0.544 nan 8.190 nan 0.000 0.432 673 A N 6.719 129.447 122.820 -0.154 0.000 2.346 673 A HA 0.667 5.002 4.320 0.025 0.000 0.252 673 A C -2.269 175.111 177.584 -0.339 0.000 1.089 673 A CA -1.350 50.256 52.037 -0.719 0.000 0.797 673 A CB -0.241 18.602 19.000 -0.262 0.000 1.047 673 A HN 0.690 nan 8.150 nan 0.000 0.494 674 P HA 0.051 nan 4.420 nan 0.000 0.264 674 P C -0.463 176.771 177.300 -0.111 0.000 1.193 674 P CA 0.530 63.544 63.100 -0.143 0.000 0.763 674 P CB 0.679 32.301 31.700 -0.129 0.000 0.810 675 Q N -0.997 118.751 119.800 -0.088 0.000 2.362 675 Q HA -0.156 4.199 4.340 0.025 0.000 0.220 675 Q C 0.763 176.737 176.000 -0.045 0.000 0.713 675 Q CA 1.784 57.541 55.803 -0.077 0.000 1.345 675 Q CB -2.443 26.247 28.738 -0.079 0.000 1.570 675 Q HN 0.767 nan 8.270 nan 0.000 0.701 676 G N 0.183 108.963 108.800 -0.032 0.000 2.537 676 G HA2 0.564 4.539 3.960 0.025 0.000 0.297 676 G HA3 0.564 4.539 3.960 0.025 0.000 0.297 676 G C -0.272 174.644 174.900 0.027 0.000 1.310 676 G CA -0.451 44.648 45.100 -0.002 0.000 1.027 676 G HN -0.011 nan 8.290 nan 0.000 0.505 677 K N -0.862 119.561 120.400 0.039 0.000 2.435 677 K HA 0.444 4.778 4.320 0.025 0.000 0.251 677 K C -1.059 175.579 176.600 0.064 0.000 0.954 677 K CA -0.605 55.713 56.287 0.051 0.000 0.820 677 K CB 2.614 35.135 32.500 0.036 0.000 1.292 677 K HN 0.523 nan 8.250 nan 0.000 0.436 678 Q N 2.829 122.674 119.800 0.075 0.000 2.323 678 Q HA 0.419 4.774 4.340 0.025 0.000 0.271 678 Q C -1.669 174.371 176.000 0.066 0.000 1.048 678 Q CA -0.701 55.147 55.803 0.075 0.000 0.792 678 Q CB 1.373 30.165 28.738 0.090 0.000 1.280 678 Q HN 0.510 nan 8.270 nan 0.000 0.441 679 L N 4.924 126.175 121.223 0.046 0.000 2.296 679 L HA 0.568 4.923 4.340 0.025 0.000 0.286 679 L C -0.511 176.371 176.870 0.021 0.000 1.023 679 L CA -0.632 54.225 54.840 0.028 0.000 0.812 679 L CB 1.361 43.425 42.059 0.009 0.000 1.223 679 L HN 0.574 nan 8.230 nan 0.000 0.421 680 I N 3.685 124.259 120.570 0.008 0.000 2.389 680 I HA 0.236 4.421 4.170 0.025 0.000 0.288 680 I C -0.293 175.781 176.117 -0.072 0.000 0.999 680 I CA -0.567 60.727 61.300 -0.012 0.000 1.129 680 I CB 1.665 39.671 38.000 0.010 0.000 1.288 680 I HN 0.599 nan 8.210 nan 0.000 0.444 681 E N 7.684 127.839 120.200 -0.075 0.000 2.156 681 E HA 0.419 4.784 4.350 0.025 0.000 0.279 681 E C -0.702 175.793 176.600 -0.175 0.000 0.965 681 E CA -0.682 55.647 56.400 -0.117 0.000 0.789 681 E CB 2.245 31.899 29.700 -0.078 0.000 1.098 681 E HN 0.505 nan 8.360 nan 0.000 0.397 682 L N 4.091 125.145 121.223 -0.282 0.000 2.417 682 L HA 0.215 4.570 4.340 0.025 0.000 0.268 682 L C -1.583 175.113 176.870 -0.290 0.000 1.158 682 L CA -1.609 52.962 54.840 -0.448 0.000 0.819 682 L CB 0.447 42.113 42.059 -0.655 0.000 1.112 682 L HN 0.342 nan 8.230 nan 0.000 0.458 683 P HA -0.019 nan 4.420 nan 0.000 0.273 683 P C -0.414 176.832 177.300 -0.089 0.000 1.250 683 P CA -0.475 62.576 63.100 -0.081 0.000 0.793 683 P CB 0.433 32.151 31.700 0.031 0.000 1.011 684 E N 0.338 120.513 120.200 -0.042 0.000 3.056 684 E HA -0.111 4.254 4.350 0.025 0.000 0.264 684 E C -0.546 176.035 176.600 -0.032 0.000 0.899 684 E CA 0.706 57.085 56.400 -0.035 0.000 0.966 684 E CB 0.001 29.695 29.700 -0.010 0.000 0.913 684 E HN 0.341 nan 8.360 nan 0.000 0.522 685 L N 7.794 128.989 121.223 -0.047 0.000 2.335 685 L HA 0.264 4.619 4.340 0.025 0.000 0.268 685 L C -2.054 174.810 176.870 -0.009 0.000 1.037 685 L CA -1.995 52.825 54.840 -0.033 0.000 0.895 685 L CB 1.207 43.222 42.059 -0.073 0.000 1.266 685 L HN 0.333 nan 8.230 nan 0.000 0.439 686 P HA -0.014 nan 4.420 nan 0.000 0.262 686 P C -0.297 177.012 177.300 0.015 0.000 1.182 686 P CA -0.197 62.912 63.100 0.015 0.000 0.761 686 P CB 0.312 32.026 31.700 0.023 0.000 0.795 687 Q N 3.437 123.241 119.800 0.007 0.000 2.793 687 Q HA 0.242 4.597 4.340 0.025 0.000 0.220 687 Q C -1.966 174.044 176.000 0.015 0.000 1.123 687 Q CA -0.547 55.259 55.803 0.006 0.000 1.073 687 Q CB -1.160 27.579 28.738 0.002 0.000 1.315 687 Q HN 0.383 nan 8.270 nan 0.000 0.619 688 P HA 0.248 nan 4.420 nan 0.000 0.327 688 P C -1.355 175.956 177.300 0.019 0.000 1.559 688 P CA -0.585 62.528 63.100 0.022 0.000 1.277 688 P CB 1.659 33.377 31.700 0.031 0.000 1.665 689 E N 1.508 121.721 120.200 0.021 0.000 1.865 689 E HA 0.435 4.800 4.350 0.025 0.000 0.269 689 E C -0.266 176.348 176.600 0.024 0.000 1.177 689 E CA 0.349 56.761 56.400 0.020 0.000 0.932 689 E CB 0.004 29.715 29.700 0.019 0.000 1.066 689 E HN 0.438 nan 8.360 nan 0.000 0.405 690 S N 0.944 116.658 115.700 0.024 0.000 2.963 690 S HA 0.145 4.630 4.470 0.025 0.000 0.249 690 S C -0.946 173.674 174.600 0.032 0.000 0.669 690 S CA -0.307 57.911 58.200 0.030 0.000 0.892 690 S CB -0.351 62.870 63.200 0.034 0.000 1.119 690 S HN 0.469 nan 8.310 nan 0.000 0.578 691 A N 2.370 125.211 122.820 0.035 0.000 2.448 691 A HA 0.815 5.150 4.320 0.025 0.000 0.239 691 A C 1.268 178.882 177.584 0.050 0.000 1.080 691 A CA 0.757 52.815 52.037 0.036 0.000 0.779 691 A CB -0.568 18.456 19.000 0.041 0.000 1.026 691 A HN 2.657 nan 8.150 nan 0.000 0.499 692 G N -0.604 108.225 108.800 0.048 0.000 2.359 692 G HA2 0.460 4.435 3.960 0.025 0.000 0.314 692 G HA3 0.460 4.435 3.960 0.025 0.000 0.314 692 G C -1.177 173.748 174.900 0.041 0.000 1.364 692 G CA -0.218 44.927 45.100 0.076 0.000 0.978 692 G HN 1.172 nan 8.290 nan 0.000 0.615 693 Q N -0.213 119.627 119.800 0.065 0.000 2.290 693 Q HA 0.740 5.095 4.340 0.025 0.000 0.259 693 Q C -0.424 175.511 176.000 -0.109 0.000 0.941 693 Q CA -0.532 55.211 55.803 -0.101 0.000 0.912 693 Q CB 1.273 29.897 28.738 -0.191 0.000 1.244 693 Q HN 0.579 nan 8.270 nan 0.000 0.441 694 L N 4.173 125.278 121.223 -0.196 0.000 2.350 694 L HA 0.557 4.912 4.340 0.025 0.000 0.275 694 L C -0.876 175.831 176.870 -0.273 0.000 1.099 694 L CA -0.376 54.427 54.840 -0.061 0.000 0.808 694 L CB 0.804 42.848 42.059 -0.024 0.000 1.149 694 L HN 0.695 nan 8.230 nan 0.000 0.442 695 W N 3.796 125.150 121.300 0.090 0.000 2.883 695 W HA 0.531 5.205 4.660 0.024 0.000 0.335 695 W C -1.054 175.560 176.519 0.158 0.000 1.083 695 W CA -0.556 56.866 57.345 0.128 0.000 1.233 695 W CB 1.510 31.059 29.460 0.148 0.000 1.412 695 W HN 0.062 nan 8.180 nan 0.000 0.490 696 L N 3.060 124.558 121.223 0.458 0.000 2.296 696 L HA 0.794 5.148 4.340 0.025 0.000 0.286 696 L C -0.391 176.768 176.870 0.482 0.000 1.023 696 L CA 0.046 55.131 54.840 0.409 0.000 0.812 696 L CB 1.247 43.514 42.059 0.347 0.000 1.223 696 L HN 0.374 nan 8.230 nan 0.000 0.421 697 T N 5.067 119.843 114.554 0.370 0.000 2.824 697 T HA 0.664 5.029 4.350 0.025 0.000 0.282 697 T C -0.645 174.217 174.700 0.270 0.000 0.993 697 T CA -0.467 61.806 62.100 0.289 0.000 0.967 697 T CB 1.553 70.538 68.868 0.195 0.000 0.960 697 T HN 0.598 nan 8.240 nan 0.000 0.441 698 V N 1.519 121.567 119.914 0.223 0.000 2.715 698 V HA 0.877 5.012 4.120 0.025 0.000 0.310 698 V C -0.852 175.317 176.094 0.126 0.000 1.054 698 V CA -1.265 61.130 62.300 0.158 0.000 0.928 698 V CB 1.799 33.663 31.823 0.069 0.000 1.007 698 V HN 0.934 nan 8.190 nan 0.000 0.437 699 R N 2.507 123.118 120.500 0.186 0.000 2.673 699 R HA 0.795 5.150 4.340 0.025 0.000 0.281 699 R C -1.790 174.655 176.300 0.242 0.000 0.991 699 R CA -0.860 55.391 56.100 0.251 0.000 0.896 699 R CB 2.237 32.678 30.300 0.235 0.000 1.201 699 R HN 0.535 nan 8.270 nan 0.000 0.457 700 V N 2.882 122.968 119.914 0.286 0.000 2.370 700 V HA 0.310 4.444 4.120 0.025 0.000 0.279 700 V C -0.154 176.064 176.094 0.206 0.000 1.029 700 V CA -0.590 61.845 62.300 0.226 0.000 0.870 700 V CB 1.534 33.493 31.823 0.226 0.000 0.984 700 V HN 0.494 nan 8.190 nan 0.000 0.451 701 V N 5.215 125.218 119.914 0.149 0.000 2.628 701 V HA 0.420 4.555 4.120 0.025 0.000 0.306 701 V C -0.257 175.908 176.094 0.119 0.000 1.045 701 V CA -0.766 61.604 62.300 0.117 0.000 0.905 701 V CB 2.068 33.929 31.823 0.064 0.000 0.997 701 V HN 0.876 nan 8.190 nan 0.000 0.436 702 Q N 5.199 125.081 119.800 0.135 0.000 2.398 702 Q HA 0.282 4.637 4.340 0.025 0.000 0.251 702 Q C -1.818 174.214 176.000 0.054 0.000 0.999 702 Q CA -1.774 54.097 55.803 0.114 0.000 0.874 702 Q CB 1.929 30.750 28.738 0.140 0.000 1.215 702 Q HN 0.466 nan 8.270 nan 0.000 0.470 703 P HA -0.150 nan 4.420 nan 0.000 0.219 703 P C -0.545 176.751 177.300 -0.005 0.000 1.150 703 P CA 1.116 64.224 63.100 0.014 0.000 0.814 703 P CB 0.403 32.112 31.700 0.016 0.000 0.787 704 N N -0.797 117.894 118.700 -0.015 0.000 2.417 704 N HA 0.471 5.226 4.740 0.025 0.000 0.300 704 N C -0.405 175.054 175.510 -0.086 0.000 1.102 704 N CA -0.742 52.284 53.050 -0.040 0.000 0.886 704 N CB 1.142 39.609 38.487 -0.034 0.000 1.203 704 N HN -0.093 nan 8.380 nan 0.000 0.496 705 A N 0.559 123.320 122.820 -0.097 0.000 2.406 705 A HA 0.498 4.833 4.320 0.025 0.000 0.243 705 A C 0.533 177.989 177.584 -0.214 0.000 1.082 705 A CA 0.009 51.950 52.037 -0.160 0.000 0.786 705 A CB 0.018 18.949 19.000 -0.115 0.000 1.029 705 A HN 0.714 nan 8.150 nan 0.000 0.495 706 T N -3.256 111.082 114.554 -0.359 0.000 2.693 706 T HA 0.625 4.989 4.350 0.025 0.000 0.278 706 T C 0.964 175.502 174.700 -0.270 0.000 0.994 706 T CA 0.076 61.968 62.100 -0.348 0.000 1.033 706 T CB 0.986 69.453 68.868 -0.670 0.000 1.342 706 T HN 1.362 nan 8.240 nan 0.000 0.538 707 A N -0.144 122.617 122.820 -0.098 0.000 2.121 707 A HA 0.115 4.450 4.320 0.025 0.000 0.218 707 A C 1.616 179.342 177.584 0.236 0.000 1.154 707 A CA 1.054 53.143 52.037 0.087 0.000 0.679 707 A CB -0.902 18.189 19.000 0.152 0.000 0.795 707 A HN 0.898 nan 8.150 nan 0.000 0.458 708 W N -0.743 120.623 121.300 0.111 0.000 2.870 708 W HA 0.416 5.091 4.660 0.026 0.000 0.358 708 W C -0.257 176.237 176.519 -0.042 0.000 1.043 708 W CA 0.485 57.866 57.345 0.060 0.000 1.692 708 W CB -1.002 28.486 29.460 0.047 0.000 1.100 708 W HN 0.388 nan 8.180 nan 0.000 0.557 709 S N -0.076 115.197 115.700 -0.712 0.000 2.570 709 S HA 0.478 4.963 4.470 0.025 0.000 0.270 709 S C -1.081 173.289 174.600 -0.383 0.000 1.149 709 S CA -0.745 57.076 58.200 -0.632 0.000 0.837 709 S CB 2.755 65.192 63.200 -1.273 0.000 1.124 709 S HN 0.079 nan 8.310 nan 0.000 0.465 710 E N 0.509 120.601 120.200 -0.181 0.000 2.280 710 E HA 0.638 5.003 4.350 0.025 0.000 0.264 710 E C 0.205 176.761 176.600 -0.074 0.000 1.064 710 E CA -0.841 55.501 56.400 -0.097 0.000 0.900 710 E CB 1.074 30.760 29.700 -0.024 0.000 1.123 710 E HN 0.886 nan 8.360 nan 0.000 0.418 711 A N 0.608 123.395 122.820 -0.055 0.000 2.531 711 A HA 0.387 4.721 4.320 0.025 0.000 0.236 711 A C 1.127 178.711 177.584 0.000 0.000 1.062 711 A CA 0.792 52.809 52.037 -0.033 0.000 0.760 711 A CB -0.570 18.413 19.000 -0.029 0.000 0.995 711 A HN 0.811 nan 8.150 nan 0.000 0.501 712 G N 0.529 109.339 108.800 0.017 0.000 2.195 712 G HA2 -0.248 3.727 3.960 0.025 0.000 0.246 712 G HA3 -0.248 3.727 3.960 0.025 0.000 0.246 712 G C 0.279 175.212 174.900 0.055 0.000 0.984 712 G CA 0.669 45.780 45.100 0.019 0.000 0.633 712 G HN 1.802 nan 8.290 nan 0.000 0.525 713 H N 0.848 119.916 119.070 -0.005 0.000 3.094 713 H HA 0.371 4.942 4.556 0.025 0.000 0.320 713 H C 0.730 176.127 175.328 0.115 0.000 1.000 713 H CA 0.630 56.703 56.048 0.042 0.000 1.413 713 H CB 0.134 29.895 29.762 -0.002 0.000 1.405 713 H HN 0.331 nan 8.280 nan 0.000 0.586 714 I N 4.644 124.955 120.570 -0.430 0.000 2.331 714 I HA 0.042 4.227 4.170 0.025 0.000 0.292 714 I C 0.939 176.905 176.117 -0.251 0.000 0.998 714 I CA 0.044 61.232 61.300 -0.186 0.000 1.267 714 I CB 1.559 39.517 38.000 -0.069 0.000 1.386 714 I HN 0.797 nan 8.210 nan 0.000 0.476 715 S N 4.274 120.069 115.700 0.158 0.000 2.502 715 S HA 0.532 5.017 4.470 0.025 0.000 0.215 715 S C 0.420 175.315 174.600 0.492 0.000 1.009 715 S CA -0.010 58.441 58.200 0.417 0.000 0.908 715 S CB 0.571 64.141 63.200 0.617 0.000 0.801 715 S HN 0.714 nan 8.310 nan 0.000 0.505 716 A N 0.466 123.609 122.820 0.538 0.000 2.605 716 A HA 0.657 4.991 4.320 0.025 0.000 0.294 716 A C -1.732 176.227 177.584 0.626 0.000 1.062 716 A CA -0.913 51.419 52.037 0.492 0.000 0.682 716 A CB 0.418 19.764 19.000 0.577 0.000 1.278 716 A HN 0.907 nan 8.150 nan 0.000 0.410 717 W N 0.010 121.504 121.300 0.322 0.000 3.074 717 W HA 0.821 5.496 4.660 0.026 0.000 0.332 717 W C -1.148 175.420 176.519 0.082 0.000 1.253 717 W CA -0.693 56.722 57.345 0.117 0.000 1.180 717 W CB 1.307 30.802 29.460 0.059 0.000 1.445 717 W HN 0.938 nan 8.180 nan 0.000 0.573 718 Q N 1.200 120.994 119.800 -0.010 0.000 2.426 718 Q HA 0.413 4.768 4.340 0.025 0.000 0.278 718 Q C -1.586 174.216 176.000 -0.331 0.000 1.007 718 Q CA -0.432 55.203 55.803 -0.281 0.000 0.850 718 Q CB 2.499 30.887 28.738 -0.582 0.000 1.427 718 Q HN 0.612 nan 8.270 nan 0.000 0.391 719 Q N 1.728 121.296 119.800 -0.387 0.000 2.413 719 Q HA 0.625 4.980 4.340 0.025 0.000 0.276 719 Q C -1.199 174.641 176.000 -0.267 0.000 1.099 719 Q CA -0.684 55.054 55.803 -0.108 0.000 0.814 719 Q CB 2.249 31.080 28.738 0.156 0.000 1.379 719 Q HN 0.612 nan 8.270 nan 0.000 0.436 720 W N 1.071 122.534 121.300 0.272 0.000 3.127 720 W HA 0.440 5.115 4.660 0.024 0.000 0.330 720 W C -0.369 176.193 176.519 0.071 0.000 1.187 720 W CA -0.644 56.799 57.345 0.164 0.000 1.198 720 W CB 1.713 31.216 29.460 0.072 0.000 1.408 720 W HN 0.438 nan 8.180 nan 0.000 0.529 721 R N 1.579 122.116 120.500 0.063 0.000 2.441 721 R HA 0.512 4.866 4.340 0.025 0.000 0.284 721 R C 0.404 176.599 176.300 -0.175 0.000 1.070 721 R CA -0.187 55.662 56.100 -0.417 0.000 1.047 721 R CB 1.142 31.137 30.300 -0.508 0.000 1.016 721 R HN 0.302 nan 8.270 nan 0.000 0.477 722 L N 1.063 122.144 121.223 -0.236 0.000 2.836 722 L HA 0.558 4.913 4.340 0.025 0.000 0.216 722 L C 0.556 177.326 176.870 -0.168 0.000 1.861 722 L CA -1.083 53.675 54.840 -0.138 0.000 2.145 722 L CB -0.016 41.995 42.059 -0.080 0.000 2.671 722 L HN 0.595 nan 8.230 nan 0.000 0.594 723 A N 0.164 122.912 122.820 -0.120 0.000 2.406 723 A HA 0.246 4.581 4.320 0.025 0.000 0.243 723 A C -0.346 177.160 177.584 -0.129 0.000 1.082 723 A CA 0.187 52.160 52.037 -0.107 0.000 0.786 723 A CB 0.236 19.195 19.000 -0.069 0.000 1.029 723 A HN 0.626 nan 8.150 nan 0.000 0.495 724 E N 0.573 120.709 120.200 -0.108 0.000 2.248 724 E HA 0.330 4.695 4.350 0.025 0.000 0.267 724 E C -1.442 175.128 176.600 -0.050 0.000 0.877 724 E CA -0.749 55.593 56.400 -0.097 0.000 0.759 724 E CB 0.943 30.577 29.700 -0.110 0.000 1.182 724 E HN 0.682 nan 8.360 nan 0.000 0.418 725 N N 4.837 123.521 118.700 -0.027 0.000 2.511 725 N HA 0.270 5.025 4.740 0.025 0.000 0.249 725 N C -0.564 174.947 175.510 0.002 0.000 0.971 725 N CA -0.356 52.688 53.050 -0.011 0.000 0.938 725 N CB 1.187 39.673 38.487 -0.002 0.000 1.131 725 N HN 0.454 nan 8.380 nan 0.000 0.505 726 L N 0.709 121.933 121.223 0.002 0.000 2.456 726 L HA 0.100 4.455 4.340 0.025 0.000 0.272 726 L C 1.319 178.202 176.870 0.020 0.000 1.189 726 L CA 0.077 54.925 54.840 0.013 0.000 0.846 726 L CB 0.409 42.475 42.059 0.012 0.000 1.111 726 L HN 0.377 nan 8.230 nan 0.000 0.475 727 S N 1.493 117.211 115.700 0.030 0.000 2.481 727 S HA 0.257 4.742 4.470 0.025 0.000 0.276 727 S C 0.586 175.203 174.600 0.028 0.000 1.247 727 S CA -0.746 57.473 58.200 0.032 0.000 1.053 727 S CB 0.745 63.970 63.200 0.041 0.000 0.925 727 S HN 0.477 nan 8.310 nan 0.000 0.491 728 V N 2.241 122.169 119.914 0.023 0.000 3.432 728 V HA 0.326 4.460 4.120 0.025 0.000 0.298 728 V C 0.676 176.782 176.094 0.020 0.000 1.464 728 V CA 0.156 62.468 62.300 0.020 0.000 1.046 728 V CB -0.579 31.253 31.823 0.016 0.000 0.887 728 V HN 0.860 nan 8.190 nan 0.000 0.441 729 T N 2.236 116.804 114.554 0.022 0.000 2.743 729 T HA 0.560 4.925 4.350 0.025 0.000 0.290 729 T C -0.056 174.657 174.700 0.022 0.000 0.908 729 T CA -0.452 61.660 62.100 0.021 0.000 1.092 729 T CB 0.086 68.967 68.868 0.022 0.000 0.882 729 T HN 0.375 nan 8.240 nan 0.000 0.531 730 L N 5.071 126.305 121.223 0.018 0.000 2.615 730 L HA 0.213 4.568 4.340 0.025 0.000 0.271 730 L C -0.649 176.230 176.870 0.016 0.000 1.183 730 L CA -1.203 53.647 54.840 0.017 0.000 0.933 730 L CB -1.330 40.737 42.059 0.014 0.000 1.199 730 L HN 0.368 nan 8.230 nan 0.000 0.487 731 P HA -0.233 nan 4.420 nan 0.000 0.216 731 P C 0.037 177.342 177.300 0.008 0.000 0.860 731 P CA 1.875 64.983 63.100 0.014 0.000 1.042 731 P CB 0.023 31.730 31.700 0.012 0.000 0.716 732 A N -2.516 120.302 122.820 -0.003 0.000 0.819 732 A HA 0.502 4.837 4.320 0.025 0.000 0.183 732 A C -0.195 177.367 177.584 -0.036 0.000 0.914 732 A CA -0.397 51.635 52.037 -0.009 0.000 0.543 732 A CB -0.887 18.109 19.000 -0.006 0.000 0.382 732 A HN 0.514 nan 8.150 nan 0.000 0.329 733 A N 2.538 125.346 122.820 -0.021 0.000 2.608 733 A HA 0.443 4.778 4.320 0.025 0.000 0.239 733 A C 1.110 178.646 177.584 -0.081 0.000 1.018 733 A CA 1.046 53.066 52.037 -0.028 0.000 0.766 733 A CB -0.372 18.626 19.000 -0.004 0.000 0.928 733 A HN 2.234 nan 8.150 nan 0.000 0.512 734 S N 2.135 117.777 115.700 -0.097 0.000 2.564 734 S HA 0.211 4.696 4.470 0.025 0.000 0.278 734 S C 0.491 175.059 174.600 -0.053 0.000 1.333 734 S CA 0.187 58.289 58.200 -0.163 0.000 1.048 734 S CB 0.158 63.303 63.200 -0.091 0.000 0.900 734 S HN 0.725 nan 8.310 nan 0.000 0.505 735 H N 1.095 120.180 119.070 0.026 0.000 2.547 735 H HA 0.435 5.006 4.556 0.025 0.000 0.272 735 H C 0.815 176.159 175.328 0.026 0.000 0.989 735 H CA 0.420 56.482 56.048 0.023 0.000 1.214 735 H CB 0.154 29.929 29.762 0.022 0.000 1.389 735 H HN 0.788 nan 8.280 nan 0.000 0.577 736 A N 0.871 123.752 122.820 0.102 0.000 2.527 736 A HA 0.647 4.982 4.320 0.025 0.000 0.293 736 A C -1.163 176.452 177.584 0.052 0.000 1.117 736 A CA -0.705 51.380 52.037 0.080 0.000 0.723 736 A CB 1.562 20.614 19.000 0.087 0.000 1.313 736 A HN 0.144 nan 8.150 nan 0.000 0.411 737 I N 1.938 122.542 120.570 0.057 0.000 2.436 737 I HA 0.381 4.566 4.170 0.025 0.000 0.289 737 I C -2.277 173.883 176.117 0.071 0.000 1.010 737 I CA -2.064 59.264 61.300 0.046 0.000 1.098 737 I CB 2.389 40.413 38.000 0.040 0.000 1.266 737 I HN 0.445 nan 8.210 nan 0.000 0.434 738 P HA 0.110 nan 4.420 nan 0.000 0.274 738 P C -1.065 176.305 177.300 0.117 0.000 1.237 738 P CA 0.011 63.170 63.100 0.098 0.000 0.793 738 P CB 0.617 32.332 31.700 0.025 0.000 0.977 739 H N 1.722 120.825 119.070 0.054 0.000 2.469 739 H HA 0.425 4.995 4.556 0.025 0.000 0.342 739 H C -1.220 174.142 175.328 0.055 0.000 1.115 739 H CA -0.900 55.173 56.048 0.042 0.000 1.204 739 H CB 1.492 31.282 29.762 0.047 0.000 1.492 739 H HN 0.234 nan 8.280 nan 0.000 0.499 740 L N 4.300 125.174 121.223 -0.582 0.000 2.295 740 L HA 0.335 4.690 4.340 0.025 0.000 0.285 740 L C -0.700 175.923 176.870 -0.412 0.000 1.035 740 L CA -0.047 54.595 54.840 -0.330 0.000 0.806 740 L CB 1.603 43.515 42.059 -0.245 0.000 1.214 740 L HN 0.563 nan 8.230 nan 0.000 0.426 741 T N 3.530 118.094 114.554 0.017 0.000 2.791 741 T HA 0.432 4.797 4.350 0.025 0.000 0.288 741 T C -0.307 174.494 174.700 0.169 0.000 0.999 741 T CA -0.313 61.874 62.100 0.146 0.000 0.952 741 T CB 0.930 69.932 68.868 0.225 0.000 0.938 741 T HN 0.695 nan 8.240 nan 0.000 0.444 742 T N 3.263 117.911 114.554 0.158 0.000 2.829 742 T HA 0.672 5.036 4.350 0.025 0.000 0.282 742 T C 0.172 174.934 174.700 0.103 0.000 0.990 742 T CA -0.652 61.579 62.100 0.219 0.000 1.028 742 T CB 1.085 70.099 68.868 0.244 0.000 0.951 742 T HN 0.701 nan 8.240 nan 0.000 0.460 743 S N 1.717 117.433 115.700 0.027 0.000 2.704 743 S HA 0.542 5.027 4.470 0.025 0.000 0.296 743 S C 0.770 175.326 174.600 -0.074 0.000 1.138 743 S CA -0.773 57.420 58.200 -0.011 0.000 0.875 743 S CB 1.698 64.899 63.200 0.001 0.000 1.151 743 S HN 0.439 nan 8.310 nan 0.000 0.500 744 E N 0.304 120.470 120.200 -0.055 0.000 2.110 744 E HA -0.076 4.289 4.350 0.025 0.000 0.193 744 E C 1.594 178.121 176.600 -0.121 0.000 0.988 744 E CA 2.043 58.397 56.400 -0.077 0.000 0.804 744 E CB -0.455 29.219 29.700 -0.043 0.000 0.745 744 E HN 0.743 nan 8.360 nan 0.000 0.458 745 M N -0.906 118.636 119.600 -0.097 0.000 2.465 745 M HA 0.332 4.826 4.480 0.025 0.000 0.249 745 M C -0.490 175.724 176.300 -0.144 0.000 1.130 745 M CA 0.307 55.545 55.300 -0.104 0.000 1.067 745 M CB 0.293 32.866 32.600 -0.045 0.000 1.394 745 M HN -0.298 nan 8.290 nan 0.000 0.483 746 D N -0.454 119.845 120.400 -0.169 0.000 2.570 746 D HA 0.460 5.115 4.640 0.025 0.000 0.244 746 D C -1.438 174.755 176.300 -0.177 0.000 1.178 746 D CA -0.307 53.613 54.000 -0.133 0.000 0.881 746 D CB 2.109 42.927 40.800 0.030 0.000 1.453 746 D HN 0.090 nan 8.370 nan 0.000 0.447 747 F N 0.904 120.936 119.950 0.137 0.000 2.427 747 F HA 0.365 4.906 4.527 0.025 0.000 0.348 747 F C 0.061 175.992 175.800 0.218 0.000 1.125 747 F CA -0.737 57.342 58.000 0.130 0.000 0.989 747 F CB 1.297 40.349 39.000 0.087 0.000 1.165 747 F HN 0.060 nan 8.300 nan 0.000 0.442 748 C N 4.429 123.943 119.300 0.356 0.000 2.435 748 C HA 0.756 5.230 4.460 0.025 0.000 0.333 748 C C -0.186 174.986 174.990 0.304 0.000 1.202 748 C CA -0.884 58.325 59.018 0.317 0.000 1.830 748 C CB 1.127 28.995 27.740 0.212 0.000 2.326 748 C HN 0.582 nan 8.230 nan 0.000 0.507 749 I N 2.349 123.146 120.570 0.379 0.000 2.498 749 I HA 0.454 4.639 4.170 0.025 0.000 0.290 749 I C -0.689 175.701 176.117 0.454 0.000 1.032 749 I CA -0.112 61.401 61.300 0.356 0.000 1.073 749 I CB 1.759 39.931 38.000 0.287 0.000 1.251 749 I HN 0.635 nan 8.210 nan 0.000 0.426 750 E N 6.331 126.748 120.200 0.362 0.000 2.238 750 E HA 0.782 5.146 4.350 0.025 0.000 0.267 750 E C -1.327 175.459 176.600 0.310 0.000 0.887 750 E CA -0.728 55.856 56.400 0.307 0.000 0.769 750 E CB 2.599 32.393 29.700 0.156 0.000 1.187 750 E HN 0.369 nan 8.360 nan 0.000 0.416 751 L N 2.159 123.571 121.223 0.315 0.000 2.611 751 L HA 0.605 4.960 4.340 0.025 0.000 0.263 751 L C 0.363 177.334 176.870 0.167 0.000 0.969 751 L CA 0.657 55.656 54.840 0.265 0.000 0.894 751 L CB 0.981 43.252 42.059 0.354 0.000 1.229 751 L HN 0.699 nan 8.230 nan 0.000 0.416 752 G N 4.469 113.329 108.800 0.099 0.000 2.591 752 G HA2 -0.417 3.558 3.960 0.025 0.000 0.298 752 G HA3 -0.417 3.558 3.960 0.025 0.000 0.298 752 G C 0.493 175.404 174.900 0.017 0.000 1.195 752 G CA 0.592 45.724 45.100 0.054 0.000 0.989 752 G HN 1.284 nan 8.290 nan 0.000 0.551 753 N N 1.356 120.052 118.700 -0.005 0.000 2.314 753 N HA 0.143 4.898 4.740 0.025 0.000 0.200 753 N C 0.355 175.814 175.510 -0.084 0.000 1.135 753 N CA 0.672 53.697 53.050 -0.042 0.000 0.835 753 N CB 0.245 38.708 38.487 -0.041 0.000 0.989 753 N HN 0.726 nan 8.380 nan 0.000 0.478 754 K N 0.391 120.726 120.400 -0.108 0.000 2.123 754 K HA 0.420 4.755 4.320 0.025 0.000 0.259 754 K C -0.452 175.949 176.600 -0.332 0.000 0.960 754 K CA -0.631 55.465 56.287 -0.318 0.000 0.872 754 K CB 2.076 34.268 32.500 -0.514 0.000 1.079 754 K HN 0.015 nan 8.250 nan 0.000 0.440 755 R N 1.997 122.232 120.500 -0.442 0.000 2.651 755 R HA 0.372 4.727 4.340 0.025 0.000 0.278 755 R C -1.604 174.606 176.300 -0.150 0.000 1.010 755 R CA -0.620 55.398 56.100 -0.136 0.000 0.896 755 R CB 1.288 31.544 30.300 -0.073 0.000 1.211 755 R HN 0.617 nan 8.270 nan 0.000 0.456 756 W N 3.279 124.675 121.300 0.161 0.000 2.785 756 W HA 0.328 5.002 4.660 0.025 0.000 0.333 756 W C -0.702 175.878 176.519 0.101 0.000 1.062 756 W CA -0.650 56.729 57.345 0.057 0.000 1.233 756 W CB 2.223 31.707 29.460 0.039 0.000 1.413 756 W HN 0.473 nan 8.180 nan 0.000 0.489 757 Q N 2.689 122.588 119.800 0.165 0.000 2.321 757 Q HA 0.438 4.793 4.340 0.025 0.000 0.270 757 Q C -1.973 173.954 176.000 -0.121 0.000 1.032 757 Q CA -0.500 55.400 55.803 0.162 0.000 0.784 757 Q CB 1.535 30.443 28.738 0.283 0.000 1.264 757 Q HN 0.366 nan 8.270 nan 0.000 0.448 758 F N 2.964 123.004 119.950 0.150 0.000 2.402 758 F HA 0.305 4.846 4.527 0.025 0.000 0.355 758 F C 0.569 176.404 175.800 0.059 0.000 1.123 758 F CA -0.862 57.194 58.000 0.092 0.000 1.021 758 F CB 1.241 40.300 39.000 0.097 0.000 1.160 758 F HN 0.499 nan 8.300 nan 0.000 0.451 759 N N 3.838 122.632 118.700 0.157 0.000 2.452 759 N HA 0.051 4.806 4.740 0.025 0.000 0.266 759 N C 1.080 176.610 175.510 0.032 0.000 1.175 759 N CA 0.076 53.173 53.050 0.078 0.000 0.945 759 N CB 0.707 39.248 38.487 0.091 0.000 1.063 759 N HN 0.691 nan 8.380 nan 0.000 0.472 760 R N 2.638 123.083 120.500 -0.092 0.000 2.152 760 R HA -0.123 4.231 4.340 0.025 0.000 0.232 760 R C 1.412 177.658 176.300 -0.090 0.000 1.117 760 R CA 1.290 57.285 56.100 -0.175 0.000 0.981 760 R CB 0.158 30.221 30.300 -0.394 0.000 0.870 760 R HN 0.683 nan 8.270 nan 0.000 0.451 761 Q N -0.457 119.315 119.800 -0.046 0.000 2.391 761 Q HA 0.007 4.362 4.340 0.025 0.000 0.211 761 Q C 1.955 177.955 176.000 0.000 0.000 0.908 761 Q CA 1.059 56.845 55.803 -0.027 0.000 0.920 761 Q CB 0.628 29.362 28.738 -0.007 0.000 1.056 761 Q HN 0.337 nan 8.270 nan 0.000 0.523 762 S N -1.538 114.186 115.700 0.040 0.000 2.439 762 S HA 0.117 4.602 4.470 0.025 0.000 0.224 762 S C 1.528 176.092 174.600 -0.059 0.000 1.029 762 S CA 0.669 58.928 58.200 0.099 0.000 0.946 762 S CB 0.389 63.749 63.200 0.267 0.000 0.797 762 S HN 0.425 nan 8.310 nan 0.000 0.504 763 G N 0.498 109.258 108.800 -0.066 0.000 2.136 763 G HA2 -0.214 3.761 3.960 0.025 0.000 0.242 763 G HA3 -0.214 3.761 3.960 0.025 0.000 0.242 763 G C -0.128 174.661 174.900 -0.185 0.000 0.989 763 G CA 0.307 45.332 45.100 -0.124 0.000 0.682 763 G HN 0.533 nan 8.290 nan 0.000 0.522 764 F N -1.294 118.843 119.950 0.312 0.000 2.561 764 F HA 0.653 5.195 4.527 0.025 0.000 0.321 764 F C 0.471 176.314 175.800 0.071 0.000 1.065 764 F CA -1.432 56.710 58.000 0.237 0.000 0.934 764 F CB 1.506 40.596 39.000 0.149 0.000 1.215 764 F HN 0.006 nan 8.300 nan 0.000 0.471 765 L N 2.255 123.562 121.223 0.139 0.000 2.600 765 L HA 0.137 4.491 4.340 0.025 0.000 0.278 765 L C 1.084 177.871 176.870 -0.140 0.000 1.139 765 L CA 0.483 55.074 54.840 -0.415 0.000 0.933 765 L CB 0.119 41.924 42.059 -0.423 0.000 1.266 765 L HN 0.722 nan 8.230 nan 0.000 0.471 766 S N 2.562 118.175 115.700 -0.145 0.000 2.486 766 S HA 0.195 4.680 4.470 0.025 0.000 0.220 766 S C 0.659 175.138 174.600 -0.202 0.000 1.011 766 S CA -0.006 58.143 58.200 -0.085 0.000 0.921 766 S CB 0.072 63.272 63.200 0.000 0.000 0.785 766 S HN 0.682 nan 8.310 nan 0.000 0.517 767 Q N -0.056 119.559 119.800 -0.308 0.000 2.472 767 Q HA 0.635 4.989 4.340 0.025 0.000 0.281 767 Q C -1.799 173.843 176.000 -0.596 0.000 0.997 767 Q CA -0.448 55.016 55.803 -0.566 0.000 0.828 767 Q CB 1.834 30.078 28.738 -0.824 0.000 1.443 767 Q HN 0.316 nan 8.270 nan 0.000 0.390 768 M N 2.441 121.593 119.600 -0.747 0.000 2.421 768 M HA 0.522 5.017 4.480 0.025 0.000 0.287 768 M C -2.022 173.949 176.300 -0.550 0.000 1.183 768 M CA -0.086 54.877 55.300 -0.561 0.000 0.916 768 M CB 1.674 33.888 32.600 -0.644 0.000 1.701 768 M HN 0.787 nan 8.290 nan 0.000 0.470 769 W N 4.862 125.925 121.300 -0.395 0.000 2.844 769 W HA 0.563 5.238 4.660 0.025 0.000 0.340 769 W C -0.932 175.392 176.519 -0.325 0.000 1.093 769 W CA -0.731 56.446 57.345 -0.280 0.000 1.212 769 W CB 1.798 31.135 29.460 -0.205 0.000 1.422 769 W HN 0.495 nan 8.180 nan 0.000 0.515 770 I N 3.036 123.604 120.570 -0.003 0.000 2.405 770 I HA 0.337 4.522 4.170 0.025 0.000 0.280 770 I C 0.842 176.948 176.117 -0.019 0.000 1.027 770 I CA 0.361 61.616 61.300 -0.075 0.000 1.161 770 I CB 0.713 38.648 38.000 -0.109 0.000 1.300 770 I HN 0.756 nan 8.210 nan 0.000 0.463 771 G N 6.173 114.954 108.800 -0.031 0.000 2.531 771 G HA2 -0.332 3.643 3.960 0.025 0.000 0.274 771 G HA3 -0.332 3.643 3.960 0.025 0.000 0.274 771 G C 0.303 175.207 174.900 0.007 0.000 1.159 771 G CA 0.503 45.588 45.100 -0.025 0.000 0.969 771 G HN 0.749 nan 8.290 nan 0.000 0.554 772 D N 0.736 121.151 120.400 0.025 0.000 2.342 772 D HA 0.255 4.909 4.640 0.025 0.000 0.221 772 D C 0.464 176.891 176.300 0.212 0.000 1.101 772 D CA 0.213 54.255 54.000 0.070 0.000 0.837 772 D CB 0.287 41.099 40.800 0.020 0.000 0.938 772 D HN 0.282 nan 8.370 nan 0.000 0.508 773 K N 1.327 121.825 120.400 0.164 0.000 2.253 773 K HA 0.260 4.595 4.320 0.025 0.000 0.277 773 K C 0.133 176.743 176.600 0.016 0.000 1.053 773 K CA -0.441 55.903 56.287 0.094 0.000 0.892 773 K CB 1.536 34.041 32.500 0.008 0.000 1.102 773 K HN 0.077 nan 8.250 nan 0.000 0.469 774 K N 2.494 122.811 120.400 -0.138 0.000 2.451 774 K HA -0.008 4.326 4.320 0.025 0.000 0.280 774 K C 1.056 177.473 176.600 -0.305 0.000 1.020 774 K CA 0.094 56.084 56.287 -0.496 0.000 1.008 774 K CB 0.619 32.884 32.500 -0.392 0.000 0.917 774 K HN 0.305 nan 8.250 nan 0.000 0.478 775 Q N 1.737 121.328 119.800 -0.348 0.000 2.352 775 Q HA 0.187 4.541 4.340 0.025 0.000 0.212 775 Q C 0.136 176.056 176.000 -0.134 0.000 0.888 775 Q CA 0.469 56.189 55.803 -0.138 0.000 0.934 775 Q CB 0.510 29.212 28.738 -0.059 0.000 1.093 775 Q HN 0.517 nan 8.270 nan 0.000 0.523 776 L N 0.342 121.412 121.223 -0.255 0.000 2.354 776 L HA 0.400 4.755 4.340 0.025 0.000 0.269 776 L C 0.840 177.574 176.870 -0.226 0.000 1.005 776 L CA -0.411 54.302 54.840 -0.211 0.000 0.819 776 L CB 1.764 43.686 42.059 -0.228 0.000 1.311 776 L HN -0.080 nan 8.230 nan 0.000 0.423 777 L N -0.076 121.012 121.223 -0.225 0.000 2.537 777 L HA 0.266 4.621 4.340 0.025 0.000 0.224 777 L C 0.084 176.834 176.870 -0.200 0.000 1.065 777 L CA 0.588 55.300 54.840 -0.213 0.000 0.860 777 L CB 0.648 42.568 42.059 -0.231 0.000 1.086 777 L HN 0.589 nan 8.230 nan 0.000 0.482 778 T N 0.152 114.564 114.554 -0.236 0.000 2.933 778 T HA 0.409 4.774 4.350 0.025 0.000 0.305 778 T C -2.618 172.007 174.700 -0.124 0.000 1.092 778 T CA -1.122 60.885 62.100 -0.156 0.000 1.008 778 T CB 2.563 71.328 68.868 -0.173 0.000 1.102 778 T HN -0.266 nan 8.240 nan 0.000 0.469 779 P HA 0.178 nan 4.420 nan 0.000 0.270 779 P C -0.628 176.636 177.300 -0.060 0.000 1.227 779 P CA -0.720 62.347 63.100 -0.055 0.000 0.788 779 P CB 0.431 32.129 31.700 -0.004 0.000 0.926 780 L N 2.723 123.954 121.223 0.014 0.000 2.325 780 L HA 0.269 4.624 4.340 0.025 0.000 0.284 780 L C 0.161 176.985 176.870 -0.078 0.000 1.089 780 L CA 0.550 55.433 54.840 0.072 0.000 0.836 780 L CB -0.597 41.629 42.059 0.278 0.000 1.184 780 L HN 0.277 nan 8.230 nan 0.000 0.444 781 R N 2.834 123.186 120.500 -0.245 0.000 2.795 781 R HA 0.438 4.793 4.340 0.025 0.000 0.275 781 R C -0.975 175.184 176.300 -0.236 0.000 0.981 781 R CA -1.048 54.715 56.100 -0.563 0.000 0.917 781 R CB 1.360 31.212 30.300 -0.747 0.000 1.202 781 R HN 0.546 nan 8.270 nan 0.000 0.469 782 D N 1.314 121.646 120.400 -0.113 0.000 2.400 782 D HA 0.016 4.671 4.640 0.025 0.000 0.238 782 D C -0.355 175.583 176.300 -0.604 0.000 1.157 782 D CA 0.525 54.324 54.000 -0.335 0.000 0.889 782 D CB 0.610 41.140 40.800 -0.449 0.000 1.199 782 D HN 0.238 nan 8.370 nan 0.000 0.436 783 Q N 0.833 120.082 119.800 -0.919 0.000 2.289 783 Q HA 0.355 4.710 4.340 0.025 0.000 0.270 783 Q C -1.314 173.979 176.000 -1.179 0.000 1.038 783 Q CA -0.583 54.732 55.803 -0.813 0.000 0.812 783 Q CB 0.837 29.298 28.738 -0.462 0.000 1.300 783 Q HN 0.554 nan 8.270 nan 0.000 0.427 784 F N 0.750 120.309 119.950 -0.652 0.000 2.746 784 F HA 0.206 4.748 4.527 0.025 0.000 0.320 784 F C 0.538 175.880 175.800 -0.763 0.000 1.097 784 F CA -0.170 57.314 58.000 -0.859 0.000 1.195 784 F CB 1.622 39.739 39.000 -1.472 0.000 1.056 784 F HN 0.479 nan 8.300 nan 0.000 0.562 785 T N -0.889 113.345 114.554 -0.533 0.000 2.907 785 T HA 0.746 5.111 4.350 0.025 0.000 0.290 785 T C -0.545 173.887 174.700 -0.447 0.000 1.066 785 T CA -0.983 60.731 62.100 -0.643 0.000 1.012 785 T CB 2.657 71.075 68.868 -0.751 0.000 1.184 785 T HN 0.237 nan 8.240 nan 0.000 0.522 786 R N 0.038 120.302 120.500 -0.393 0.000 2.795 786 R HA 0.786 5.141 4.340 0.025 0.000 0.275 786 R C -0.695 175.654 176.300 0.082 0.000 0.981 786 R CA -1.213 54.805 56.100 -0.137 0.000 0.917 786 R CB 1.550 31.783 30.300 -0.111 0.000 1.202 786 R HN 0.809 nan 8.270 nan 0.000 0.469 787 A N 3.476 126.332 122.820 0.060 0.000 2.491 787 A HA 0.285 4.620 4.320 0.025 0.000 0.261 787 A C -2.004 175.645 177.584 0.109 0.000 1.101 787 A CA -1.394 50.682 52.037 0.065 0.000 0.772 787 A CB -0.412 18.570 19.000 -0.031 0.000 1.043 787 A HN 0.580 nan 8.150 nan 0.000 0.501 788 P HA 0.105 nan 4.420 nan 0.000 0.264 788 P C -0.177 177.236 177.300 0.190 0.000 1.193 788 P CA 0.355 63.614 63.100 0.264 0.000 0.763 788 P CB 0.386 32.279 31.700 0.322 0.000 0.810 789 L N 2.667 123.967 121.223 0.129 0.000 2.472 789 L HA 0.101 4.455 4.340 0.025 0.000 0.260 789 L C 1.877 178.766 176.870 0.032 0.000 1.209 789 L CA -0.317 54.536 54.840 0.022 0.000 0.817 789 L CB -0.085 41.923 42.059 -0.085 0.000 1.106 789 L HN 0.317 nan 8.230 nan 0.000 0.479 790 D N 0.450 120.809 120.400 -0.068 0.000 2.158 790 D HA -0.167 4.487 4.640 0.025 0.000 0.197 790 D C 1.612 177.837 176.300 -0.124 0.000 0.995 790 D CA 1.429 55.306 54.000 -0.205 0.000 0.846 790 D CB 0.038 40.642 40.800 -0.325 0.000 0.941 790 D HN 0.480 nan 8.370 nan 0.000 0.456 791 N N 0.946 119.593 118.700 -0.088 0.000 2.331 791 N HA -0.099 4.656 4.740 0.025 0.000 0.180 791 N C 1.139 176.663 175.510 0.025 0.000 1.019 791 N CA 0.638 53.666 53.050 -0.037 0.000 0.881 791 N CB -0.120 38.338 38.487 -0.049 0.000 0.972 791 N HN 0.255 nan 8.380 nan 0.000 0.435 792 D N 0.450 120.880 120.400 0.050 0.000 2.224 792 D HA 0.038 4.693 4.640 0.025 0.000 0.205 792 D C 1.965 178.311 176.300 0.077 0.000 0.965 792 D CA 0.386 54.450 54.000 0.106 0.000 0.852 792 D CB 0.189 41.126 40.800 0.229 0.000 0.947 792 D HN 0.325 nan 8.370 nan 0.000 0.494 793 I N 0.273 120.874 120.570 0.052 0.000 2.400 793 I HA 0.045 4.230 4.170 0.025 0.000 0.248 793 I C 1.829 177.968 176.117 0.036 0.000 1.109 793 I CA 0.623 61.941 61.300 0.029 0.000 1.425 793 I CB -0.359 37.628 38.000 -0.021 0.000 1.094 793 I HN 0.047 nan 8.210 nan 0.000 0.425 794 G N 1.393 110.229 108.800 0.060 0.000 2.574 794 G HA2 -0.352 3.623 3.960 0.025 0.000 0.286 794 G HA3 -0.352 3.623 3.960 0.025 0.000 0.286 794 G C 0.712 175.769 174.900 0.262 0.000 1.212 794 G CA 0.879 46.079 45.100 0.167 0.000 0.979 794 G HN 0.546 nan 8.290 nan 0.000 0.557 795 V N -1.886 118.125 119.914 0.161 0.000 3.596 795 V HA 0.593 4.727 4.120 0.025 0.000 0.289 795 V C 1.341 177.452 176.094 0.029 0.000 1.336 795 V CA 1.297 63.642 62.300 0.076 0.000 1.137 795 V CB 0.032 31.797 31.823 -0.097 0.000 0.966 795 V HN 1.279 nan 8.190 nan 0.000 0.428 796 S N 1.123 116.840 115.700 0.029 0.000 2.558 796 S HA 0.255 4.740 4.470 0.025 0.000 0.288 796 S C -0.107 174.498 174.600 0.009 0.000 1.318 796 S CA 0.207 58.408 58.200 0.002 0.000 1.056 796 S CB 0.272 63.470 63.200 -0.003 0.000 0.853 796 S HN 0.825 nan 8.310 nan 0.000 0.505 797 E N 1.418 121.618 120.200 -0.000 0.000 2.331 797 E HA 0.545 4.910 4.350 0.025 0.000 0.275 797 E C 0.402 177.007 176.600 0.008 0.000 0.895 797 E CA -0.414 55.990 56.400 0.007 0.000 0.753 797 E CB 1.494 31.194 29.700 0.001 0.000 1.216 797 E HN 0.625 nan 8.360 nan 0.000 0.434 798 A N 1.498 124.330 122.820 0.019 0.000 2.032 798 A HA -0.201 4.133 4.320 0.025 0.000 0.221 798 A C 1.883 179.475 177.584 0.012 0.000 1.165 798 A CA 2.430 54.479 52.037 0.019 0.000 0.645 798 A CB -0.709 18.308 19.000 0.027 0.000 0.807 798 A HN 0.632 nan 8.150 nan 0.000 0.453 799 T N -4.473 110.086 114.554 0.009 0.000 3.060 799 T HA 0.247 4.612 4.350 0.025 0.000 0.249 799 T C 0.725 175.420 174.700 -0.008 0.000 1.079 799 T CA 0.208 62.310 62.100 0.003 0.000 1.013 799 T CB -0.025 68.846 68.868 0.005 0.000 0.975 799 T HN 0.313 nan 8.240 nan 0.000 0.518 800 R N 1.214 121.706 120.500 -0.013 0.000 3.107 800 R HA 0.347 4.701 4.340 0.025 0.000 0.251 800 R C -1.015 175.270 176.300 -0.025 0.000 1.818 800 R CA -0.515 55.570 56.100 -0.025 0.000 1.228 800 R CB 0.529 30.805 30.300 -0.039 0.000 1.459 800 R HN 0.307 nan 8.270 nan 0.000 0.520 801 I N 1.740 122.298 120.570 -0.020 0.000 2.692 801 I HA -0.011 4.174 4.170 0.025 0.000 0.284 801 I C 0.426 176.523 176.117 -0.033 0.000 1.159 801 I CA 0.405 61.693 61.300 -0.020 0.000 1.423 801 I CB 0.780 38.772 38.000 -0.014 0.000 1.380 801 I HN 0.463 nan 8.210 nan 0.000 0.580 802 D N 8.772 129.149 120.400 -0.037 0.000 2.473 802 D HA 0.239 4.894 4.640 0.025 0.000 0.226 802 D C -1.588 174.669 176.300 -0.071 0.000 1.089 802 D CA -2.325 51.643 54.000 -0.052 0.000 0.883 802 D CB 1.355 42.126 40.800 -0.048 0.000 1.029 802 D HN 0.185 nan 8.370 nan 0.000 0.517 803 P HA -0.129 nan 4.420 nan 0.000 0.223 803 P C 0.920 178.133 177.300 -0.145 0.000 1.144 803 P CA 0.705 63.750 63.100 -0.091 0.000 0.783 803 P CB 0.248 31.902 31.700 -0.076 0.000 0.771 804 N N -0.268 118.340 118.700 -0.154 0.000 2.446 804 N HA 0.007 4.762 4.740 0.025 0.000 0.179 804 N C 0.419 175.750 175.510 -0.299 0.000 1.054 804 N CA -0.129 52.787 53.050 -0.223 0.000 0.905 804 N CB 0.009 38.392 38.487 -0.175 0.000 0.973 804 N HN -0.016 nan 8.380 nan 0.000 0.448 805 A N 0.356 123.044 122.820 -0.220 0.000 2.498 805 A HA -0.002 4.333 4.320 0.025 0.000 0.239 805 A C 0.542 177.929 177.584 -0.328 0.000 1.068 805 A CA -0.357 51.550 52.037 -0.215 0.000 0.766 805 A CB -0.160 18.785 19.000 -0.092 0.000 1.003 805 A HN 0.461 nan 8.150 nan 0.000 0.497 806 W N 1.799 122.848 121.300 -0.418 0.000 2.318 806 W HA -0.208 4.466 4.660 0.024 0.000 0.313 806 W C 2.228 178.168 176.519 -0.964 0.000 1.221 806 W CA 1.834 58.654 57.345 -0.875 0.000 1.266 806 W CB -0.403 28.396 29.460 -1.102 0.000 1.150 806 W HN 0.562 nan 8.180 nan 0.000 0.496 807 V N 0.905 120.700 119.914 -0.197 0.000 2.392 807 V HA -0.279 3.855 4.120 0.025 0.000 0.249 807 V C 2.143 178.320 176.094 0.140 0.000 1.059 807 V CA 2.187 64.586 62.300 0.165 0.000 1.051 807 V CB -0.362 31.584 31.823 0.206 0.000 0.658 807 V HN 0.109 nan 8.190 nan 0.000 0.455 808 E N -0.194 119.998 120.200 -0.013 0.000 2.152 808 E HA -0.158 4.207 4.350 0.025 0.000 0.192 808 E C 2.317 178.888 176.600 -0.048 0.000 0.983 808 E CA 0.905 57.297 56.400 -0.014 0.000 0.818 808 E CB -0.285 29.384 29.700 -0.052 0.000 0.758 808 E HN 0.623 nan 8.360 nan 0.000 0.467 809 R N -0.112 120.284 120.500 -0.173 0.000 2.073 809 R HA -0.110 4.245 4.340 0.025 0.000 0.234 809 R C 2.282 178.528 176.300 -0.089 0.000 1.134 809 R CA 1.330 57.304 56.100 -0.210 0.000 0.952 809 R CB -0.185 29.869 30.300 -0.410 0.000 0.850 809 R HN 0.230 nan 8.270 nan 0.000 0.433 810 W N 1.498 122.763 121.300 -0.057 0.000 2.358 810 W HA -0.059 4.616 4.660 0.025 0.000 0.303 810 W C 1.972 178.460 176.519 -0.051 0.000 1.208 810 W CA 0.625 57.825 57.345 -0.241 0.000 1.274 810 W CB -0.694 28.775 29.460 0.014 0.000 1.138 810 W HN 0.102 nan 8.180 nan 0.000 0.515 811 K N 0.113 120.738 120.400 0.375 0.000 2.009 811 K HA -0.145 4.189 4.320 0.025 0.000 0.210 811 K C 2.264 178.931 176.600 0.111 0.000 1.049 811 K CA 2.052 58.512 56.287 0.289 0.000 0.929 811 K CB -0.626 31.990 32.500 0.192 0.000 0.714 811 K HN -0.010 nan 8.250 nan 0.000 0.440 812 A N 0.997 123.853 122.820 0.059 0.000 1.972 812 A HA -0.092 4.243 4.320 0.025 0.000 0.219 812 A C 2.176 179.763 177.584 0.006 0.000 1.169 812 A CA 1.805 53.860 52.037 0.031 0.000 0.635 812 A CB -0.533 18.472 19.000 0.009 0.000 0.810 812 A HN 0.367 nan 8.150 nan 0.000 0.446 813 A N -1.961 120.840 122.820 -0.032 0.000 2.206 813 A HA 0.397 4.732 4.320 0.025 0.000 0.211 813 A C 1.819 179.331 177.584 -0.120 0.000 1.158 813 A CA 1.253 53.278 52.037 -0.021 0.000 0.761 813 A CB -0.841 18.120 19.000 -0.065 0.000 0.801 813 A HN 1.872 nan 8.150 nan 0.000 0.473 814 G N -1.643 106.969 108.800 -0.314 0.000 2.157 814 G HA2 -0.300 3.675 3.960 0.025 0.000 0.248 814 G HA3 -0.300 3.675 3.960 0.025 0.000 0.248 814 G C 0.617 175.504 174.900 -0.021 0.000 0.979 814 G CA 0.636 45.302 45.100 -0.724 0.000 0.650 814 G HN 0.739 nan 8.290 nan 0.000 0.529 815 H N -1.365 117.691 119.070 -0.024 0.000 2.387 815 H HA -0.097 4.474 4.556 0.025 0.000 0.299 815 H C 2.105 177.415 175.328 -0.030 0.000 1.099 815 H CA 1.625 57.681 56.048 0.013 0.000 1.315 815 H CB 0.078 29.780 29.762 -0.099 0.000 1.380 815 H HN 0.615 nan 8.280 nan 0.000 0.513 816 Y N -0.263 120.165 120.300 0.213 0.000 2.523 816 Y HA -0.046 4.519 4.550 0.025 0.000 0.279 816 Y C 1.960 177.945 175.900 0.141 0.000 1.139 816 Y CA 0.127 58.312 58.100 0.142 0.000 1.296 816 Y CB 0.568 39.094 38.460 0.110 0.000 1.045 816 Y HN 0.074 nan 8.280 nan 0.000 0.538 817 Q N 0.066 120.028 119.800 0.271 0.000 2.317 817 Q HA 0.340 4.694 4.340 0.025 0.000 0.220 817 Q C 0.617 176.804 176.000 0.311 0.000 0.873 817 Q CA 0.033 55.992 55.803 0.261 0.000 0.936 817 Q CB 0.158 29.045 28.738 0.249 0.000 1.105 817 Q HN 0.255 nan 8.270 nan 0.000 0.520 818 A N 1.955 124.980 122.820 0.343 0.000 2.567 818 A HA 0.061 4.395 4.320 0.025 0.000 0.240 818 A C -0.151 177.732 177.584 0.499 0.000 1.053 818 A CA 0.411 52.719 52.037 0.451 0.000 0.755 818 A CB 0.004 19.306 19.000 0.503 0.000 0.978 818 A HN 0.178 nan 8.150 nan 0.000 0.507 819 E N 1.624 122.030 120.200 0.343 0.000 2.183 819 E HA 0.530 4.895 4.350 0.025 0.000 0.271 819 E C -0.304 176.220 176.600 -0.127 0.000 0.919 819 E CA -0.756 55.759 56.400 0.191 0.000 0.781 819 E CB 1.729 31.511 29.700 0.137 0.000 1.140 819 E HN 0.743 nan 8.360 nan 0.000 0.402 820 A N 2.220 124.831 122.820 -0.350 0.000 2.492 820 A HA 0.434 4.769 4.320 0.025 0.000 0.254 820 A C -0.043 177.377 177.584 -0.273 0.000 1.091 820 A CA -0.037 51.512 52.037 -0.813 0.000 0.768 820 A CB 0.137 18.873 19.000 -0.439 0.000 1.028 820 A HN 0.644 nan 8.150 nan 0.000 0.498 821 A N 2.885 125.561 122.820 -0.239 0.000 2.303 821 A HA 0.586 4.920 4.320 0.025 0.000 0.320 821 A C -0.347 177.190 177.584 -0.078 0.000 1.192 821 A CA -0.573 51.411 52.037 -0.089 0.000 0.821 821 A CB 0.506 19.466 19.000 -0.066 0.000 1.188 821 A HN 1.179 nan 8.150 nan 0.000 0.492 822 L N 2.688 123.858 121.223 -0.087 0.000 2.416 822 L HA 0.323 4.678 4.340 0.025 0.000 0.272 822 L C 0.517 177.276 176.870 -0.185 0.000 1.161 822 L CA 0.408 55.099 54.840 -0.248 0.000 0.845 822 L CB 0.469 42.390 42.059 -0.229 0.000 1.119 822 L HN 0.777 nan 8.230 nan 0.000 0.464 823 L N 2.823 123.914 121.223 -0.220 0.000 2.500 823 L HA 0.339 4.694 4.340 0.025 0.000 0.219 823 L C 0.343 177.150 176.870 -0.106 0.000 1.057 823 L CA 0.022 54.795 54.840 -0.112 0.000 0.854 823 L CB 0.030 42.054 42.059 -0.057 0.000 1.078 823 L HN 0.707 nan 8.230 nan 0.000 0.480 824 Q N -0.262 119.442 119.800 -0.159 0.000 2.479 824 Q HA 0.281 4.636 4.340 0.025 0.000 0.276 824 Q C -2.159 173.780 176.000 -0.103 0.000 0.989 824 Q CA -0.489 55.256 55.803 -0.096 0.000 0.864 824 Q CB 2.957 31.664 28.738 -0.051 0.000 1.444 824 Q HN 0.050 nan 8.270 nan 0.000 0.388 825 C N 3.226 122.513 119.300 -0.021 0.000 2.892 825 C HA 0.723 5.198 4.460 0.025 0.000 0.360 825 C C -0.674 174.423 174.990 0.178 0.000 1.054 825 C CA 0.468 59.519 59.018 0.055 0.000 1.326 825 C CB 0.381 28.155 27.740 0.056 0.000 1.806 825 C HN 0.812 nan 8.230 nan 0.000 0.490 826 T N 2.304 116.893 114.554 0.059 0.000 2.930 826 T HA 0.913 5.278 4.350 0.025 0.000 0.290 826 T C -0.446 174.009 174.700 -0.408 0.000 1.052 826 T CA -0.364 61.704 62.100 -0.054 0.000 1.017 826 T CB 1.985 70.811 68.868 -0.070 0.000 1.137 826 T HN 1.623 nan 8.240 nan 0.000 0.511 827 A N 1.307 123.713 122.820 -0.690 0.000 2.374 827 A HA 0.729 5.063 4.320 0.025 0.000 0.305 827 A C -1.236 176.078 177.584 -0.450 0.000 1.053 827 A CA -0.730 50.797 52.037 -0.851 0.000 0.726 827 A CB 1.198 19.246 19.000 -1.585 0.000 1.229 827 A HN 0.858 nan 8.150 nan 0.000 0.431 828 D N 1.356 121.558 120.400 -0.330 0.000 2.732 828 D HA 0.556 5.211 4.640 0.025 0.000 0.229 828 D C -0.590 175.597 176.300 -0.189 0.000 1.152 828 D CA 0.058 53.931 54.000 -0.212 0.000 0.854 828 D CB 2.397 43.104 40.800 -0.156 0.000 1.590 828 D HN 0.640 nan 8.370 nan 0.000 0.468 829 T N -0.516 113.950 114.554 -0.147 0.000 2.867 829 T HA 0.732 5.097 4.350 0.025 0.000 0.282 829 T C 0.266 174.912 174.700 -0.091 0.000 1.000 829 T CA -0.661 61.363 62.100 -0.126 0.000 1.042 829 T CB 1.134 69.930 68.868 -0.119 0.000 0.973 829 T HN 0.207 nan 8.240 nan 0.000 0.465 830 L N 1.584 122.759 121.223 -0.079 0.000 2.341 830 L HA 0.677 5.032 4.340 0.025 0.000 0.267 830 L C 2.117 178.961 176.870 -0.044 0.000 1.022 830 L CA -1.456 53.350 54.840 -0.057 0.000 0.844 830 L CB 0.510 42.536 42.059 -0.055 0.000 1.436 830 L HN 0.803 nan 8.230 nan 0.000 0.483 831 A N 0.579 123.380 122.820 -0.031 0.000 1.892 831 A HA -0.201 4.134 4.320 0.025 0.000 0.218 831 A C 1.139 178.713 177.584 -0.017 0.000 1.188 831 A CA 2.325 54.350 52.037 -0.020 0.000 0.631 831 A CB -0.553 18.439 19.000 -0.013 0.000 0.822 831 A HN 0.905 nan 8.150 nan 0.000 0.447 832 D N -2.558 117.829 120.400 -0.022 0.000 2.599 832 D HA 0.562 5.217 4.640 0.025 0.000 0.249 832 D C -0.076 176.205 176.300 -0.033 0.000 1.313 832 D CA 0.635 54.624 54.000 -0.019 0.000 0.815 832 D CB -0.207 40.583 40.800 -0.017 0.000 1.077 832 D HN 0.552 nan 8.370 nan 0.000 0.492 833 A N -0.696 122.095 122.820 -0.048 0.000 2.566 833 A HA 0.612 4.947 4.320 0.025 0.000 0.290 833 A C -1.797 175.729 177.584 -0.097 0.000 1.071 833 A CA -0.684 51.310 52.037 -0.072 0.000 0.658 833 A CB 1.495 20.454 19.000 -0.069 0.000 1.285 833 A HN 0.014 nan 8.150 nan 0.000 0.427 834 V N 0.538 120.373 119.914 -0.131 0.000 2.628 834 V HA 0.663 4.798 4.120 0.025 0.000 0.306 834 V C -1.043 174.942 176.094 -0.181 0.000 1.045 834 V CA -0.519 61.684 62.300 -0.162 0.000 0.905 834 V CB 1.584 33.301 31.823 -0.176 0.000 0.997 834 V HN 0.900 nan 8.190 nan 0.000 0.436 835 L N 6.014 127.120 121.223 -0.196 0.000 2.325 835 L HA 0.630 4.985 4.340 0.025 0.000 0.281 835 L C -0.821 175.887 176.870 -0.270 0.000 1.004 835 L CA 0.031 54.759 54.840 -0.186 0.000 0.823 835 L CB 1.206 43.184 42.059 -0.136 0.000 1.236 835 L HN 0.394 nan 8.230 nan 0.000 0.415 836 I N 4.123 124.514 120.570 -0.298 0.000 2.377 836 I HA 0.429 4.614 4.170 0.025 0.000 0.293 836 I C 0.050 176.088 176.117 -0.132 0.000 0.987 836 I CA -0.229 60.839 61.300 -0.388 0.000 1.185 836 I CB 1.540 39.040 38.000 -0.834 0.000 1.341 836 I HN 0.561 nan 8.210 nan 0.000 0.455 837 T N 4.793 119.283 114.554 -0.106 0.000 2.807 837 T HA 0.666 5.031 4.350 0.025 0.000 0.279 837 T C 0.117 174.836 174.700 0.031 0.000 0.993 837 T CA -0.543 61.552 62.100 -0.009 0.000 0.970 837 T CB 1.848 70.695 68.868 -0.035 0.000 0.950 837 T HN 0.781 nan 8.240 nan 0.000 0.441 838 T N -0.666 113.948 114.554 0.099 0.000 2.896 838 T HA 0.868 5.233 4.350 0.025 0.000 0.297 838 T C -1.227 173.507 174.700 0.058 0.000 1.108 838 T CA -1.053 61.083 62.100 0.061 0.000 1.004 838 T CB 1.993 70.959 68.868 0.163 0.000 1.159 838 T HN 0.807 nan 8.240 nan 0.000 0.499 839 A N 1.470 124.242 122.820 -0.080 0.000 2.455 839 A HA 0.800 5.135 4.320 0.025 0.000 0.300 839 A C -1.452 176.027 177.584 -0.175 0.000 1.040 839 A CA -0.772 51.268 52.037 0.006 0.000 0.697 839 A CB 0.989 20.003 19.000 0.024 0.000 1.265 839 A HN 1.017 nan 8.150 nan 0.000 0.407 840 H N -0.178 118.955 119.070 0.105 0.000 2.895 840 H HA 0.778 5.349 4.556 0.025 0.000 0.373 840 H C -0.093 175.268 175.328 0.055 0.000 1.174 840 H CA 0.267 56.301 56.048 -0.023 0.000 1.144 840 H CB 2.155 31.827 29.762 -0.149 0.000 1.793 840 H HN 1.015 nan 8.280 nan 0.000 0.551 841 A N 1.518 124.360 122.820 0.036 0.000 2.350 841 A HA 0.459 4.794 4.320 0.025 0.000 0.324 841 A C -1.360 176.185 177.584 -0.064 0.000 1.118 841 A CA -0.686 51.430 52.037 0.133 0.000 0.783 841 A CB 1.161 20.212 19.000 0.086 0.000 1.236 841 A HN 0.573 nan 8.150 nan 0.000 0.457 842 W N 1.812 123.228 121.300 0.193 0.000 2.376 842 W HA 0.440 5.115 4.660 0.025 0.000 0.312 842 W C -0.482 176.069 176.519 0.054 0.000 1.060 842 W CA -0.099 57.359 57.345 0.188 0.000 1.221 842 W CB 1.751 31.386 29.460 0.291 0.000 1.281 842 W HN 0.776 nan 8.180 nan 0.000 0.456 843 Q N 1.853 121.792 119.800 0.232 0.000 2.433 843 Q HA 0.440 4.795 4.340 0.025 0.000 0.279 843 Q C -0.950 175.180 176.000 0.216 0.000 1.105 843 Q CA -0.860 55.035 55.803 0.154 0.000 0.815 843 Q CB 3.675 32.462 28.738 0.082 0.000 1.403 843 Q HN 0.387 nan 8.270 nan 0.000 0.435 844 H N 1.459 120.565 119.070 0.060 0.000 3.017 844 H HA 0.075 4.645 4.556 0.025 0.000 0.340 844 H C -1.055 174.307 175.328 0.055 0.000 1.014 844 H CA -0.279 55.815 56.048 0.077 0.000 1.341 844 H CB 1.362 31.182 29.762 0.095 0.000 1.739 844 H HN 0.709 nan 8.280 nan 0.000 0.506 845 Q N 2.874 122.392 119.800 -0.470 0.000 2.435 845 Q HA -0.191 4.164 4.340 0.025 0.000 0.312 845 Q C 1.029 176.973 176.000 -0.093 0.000 1.333 845 Q CA 1.640 57.275 55.803 -0.279 0.000 0.883 845 Q CB -1.638 26.928 28.738 -0.288 0.000 1.170 845 Q HN 1.189 nan 8.270 nan 0.000 0.443 846 G N -1.031 107.737 108.800 -0.055 0.000 2.189 846 G HA2 -0.408 3.566 3.960 0.025 0.000 0.267 846 G HA3 -0.408 3.566 3.960 0.025 0.000 0.267 846 G C 0.079 174.984 174.900 0.008 0.000 0.975 846 G CA 0.670 45.762 45.100 -0.014 0.000 0.644 846 G HN 0.583 nan 8.290 nan 0.000 0.537 847 K N 0.552 120.966 120.400 0.023 0.000 2.207 847 K HA 0.632 4.967 4.320 0.025 0.000 0.255 847 K C -0.204 176.413 176.600 0.029 0.000 0.941 847 K CA -0.394 55.911 56.287 0.029 0.000 0.825 847 K CB 1.139 33.662 32.500 0.038 0.000 1.119 847 K HN -0.027 nan 8.250 nan 0.000 0.430 848 T N 5.342 119.904 114.554 0.014 0.000 2.729 848 T HA 0.199 4.564 4.350 0.025 0.000 0.296 848 T C 1.153 175.803 174.700 -0.083 0.000 0.928 848 T CA -0.415 61.690 62.100 0.009 0.000 1.045 848 T CB 0.449 69.338 68.868 0.035 0.000 0.902 848 T HN 0.542 nan 8.240 nan 0.000 0.500 849 L N 2.453 123.543 121.223 -0.221 0.000 2.102 849 L HA 0.307 4.662 4.340 0.025 0.000 0.202 849 L C -0.043 176.310 176.870 -0.862 0.000 1.076 849 L CA 0.991 55.427 54.840 -0.674 0.000 0.761 849 L CB 0.009 41.320 42.059 -1.247 0.000 0.921 849 L HN 0.531 nan 8.230 nan 0.000 0.444 850 F N -1.048 118.859 119.950 -0.072 0.000 2.588 850 F HA 0.564 5.106 4.527 0.025 0.000 0.310 850 F C -0.428 175.486 175.800 0.191 0.000 1.082 850 F CA -0.766 57.120 58.000 -0.190 0.000 0.929 850 F CB 1.975 40.383 39.000 -0.987 0.000 1.254 850 F HN -0.310 nan 8.300 nan 0.000 0.455 851 I N 1.530 122.323 120.570 0.371 0.000 2.465 851 I HA 0.419 4.604 4.170 0.025 0.000 0.291 851 I C -0.761 175.633 176.117 0.463 0.000 1.014 851 I CA -0.567 60.987 61.300 0.422 0.000 1.093 851 I CB 2.249 40.402 38.000 0.256 0.000 1.267 851 I HN 0.568 nan 8.210 nan 0.000 0.431 852 S N 6.652 122.718 115.700 0.610 0.000 2.552 852 S HA 0.578 5.063 4.470 0.025 0.000 0.314 852 S C -0.761 174.083 174.600 0.407 0.000 1.099 852 S CA -0.700 57.818 58.200 0.530 0.000 1.070 852 S CB 0.797 64.427 63.200 0.716 0.000 0.998 852 S HN 0.556 nan 8.310 nan 0.000 0.474 853 R N 3.416 124.079 120.500 0.270 0.000 2.387 853 R HA 0.576 4.930 4.340 0.025 0.000 0.314 853 R C -0.687 175.688 176.300 0.124 0.000 0.958 853 R CA -0.760 55.452 56.100 0.188 0.000 0.846 853 R CB 1.785 32.167 30.300 0.138 0.000 1.147 853 R HN 0.568 nan 8.270 nan 0.000 0.447 854 K N 0.779 121.245 120.400 0.109 0.000 2.480 854 K HA 0.466 4.801 4.320 0.025 0.000 0.258 854 K C -0.769 175.814 176.600 -0.028 0.000 0.990 854 K CA -0.921 55.358 56.287 -0.014 0.000 0.857 854 K CB 2.539 35.010 32.500 -0.049 0.000 1.384 854 K HN 0.627 nan 8.250 nan 0.000 0.446 855 T N -1.505 112.964 114.554 -0.143 0.000 2.893 855 T HA 0.554 4.918 4.350 0.025 0.000 0.293 855 T C -1.248 173.322 174.700 -0.218 0.000 1.027 855 T CA -0.735 61.314 62.100 -0.085 0.000 0.988 855 T CB 0.553 69.394 68.868 -0.045 0.000 1.043 855 T HN 0.399 nan 8.240 nan 0.000 0.461 856 Y N 0.891 121.142 120.300 -0.082 0.000 2.331 856 Y HA 0.614 5.179 4.550 0.025 0.000 0.334 856 Y C 0.484 176.303 175.900 -0.135 0.000 0.960 856 Y CA -1.030 57.034 58.100 -0.060 0.000 1.130 856 Y CB 1.851 40.270 38.460 -0.068 0.000 1.164 856 Y HN 0.637 nan 8.280 nan 0.000 0.458 857 R N 4.701 125.213 120.500 0.020 0.000 2.360 857 R HA 0.636 4.991 4.340 0.025 0.000 0.318 857 R C -1.635 174.607 176.300 -0.096 0.000 0.950 857 R CA -0.479 55.589 56.100 -0.054 0.000 0.837 857 R CB 0.710 30.988 30.300 -0.037 0.000 1.165 857 R HN 0.784 nan 8.270 nan 0.000 0.458 858 I N 5.008 125.465 120.570 -0.190 0.000 2.330 858 I HA 0.193 4.378 4.170 0.025 0.000 0.289 858 I C -0.232 175.760 176.117 -0.208 0.000 1.001 858 I CA -0.796 60.314 61.300 -0.316 0.000 1.193 858 I CB 1.456 39.060 38.000 -0.661 0.000 1.345 858 I HN 0.666 nan 8.210 nan 0.000 0.461 859 D N 4.333 124.651 120.400 -0.137 0.000 2.440 859 D HA 0.247 4.902 4.640 0.025 0.000 0.258 859 D C 1.265 177.545 176.300 -0.033 0.000 1.092 859 D CA -0.773 53.184 54.000 -0.071 0.000 1.016 859 D CB 1.146 41.923 40.800 -0.038 0.000 1.141 859 D HN 0.482 nan 8.370 nan 0.000 0.552 860 G N -1.225 107.566 108.800 -0.015 0.000 2.535 860 G HA2 -0.175 3.800 3.960 0.025 0.000 0.218 860 G HA3 -0.175 3.800 3.960 0.025 0.000 0.218 860 G C 1.129 176.034 174.900 0.010 0.000 1.122 860 G CA 0.998 46.102 45.100 0.007 0.000 0.769 860 G HN 0.559 nan 8.290 nan 0.000 0.549 861 S N -1.102 114.601 115.700 0.005 0.000 2.575 861 S HA 0.371 4.856 4.470 0.025 0.000 0.215 861 S C 1.886 176.533 174.600 0.078 0.000 0.966 861 S CA 0.917 59.127 58.200 0.016 0.000 0.911 861 S CB 0.054 63.258 63.200 0.007 0.000 0.780 861 S HN 1.402 nan 8.310 nan 0.000 0.514 862 G N 0.576 109.442 108.800 0.109 0.000 2.179 862 G HA2 -0.270 3.705 3.960 0.025 0.000 0.260 862 G HA3 -0.270 3.705 3.960 0.025 0.000 0.260 862 G C -0.133 174.904 174.900 0.229 0.000 0.977 862 G CA 0.238 45.485 45.100 0.245 0.000 0.641 862 G HN 0.618 nan 8.290 nan 0.000 0.533 863 Q N -0.361 119.509 119.800 0.116 0.000 2.293 863 Q HA 0.626 4.981 4.340 0.025 0.000 0.251 863 Q C 0.346 176.381 176.000 0.059 0.000 0.930 863 Q CA -0.075 55.804 55.803 0.128 0.000 0.893 863 Q CB 1.274 30.070 28.738 0.097 0.000 1.215 863 Q HN 0.460 nan 8.270 nan 0.000 0.425 864 M N 2.158 121.840 119.600 0.136 0.000 2.072 864 M HA 0.503 4.998 4.480 0.025 0.000 0.331 864 M C -1.366 175.036 176.300 0.171 0.000 1.004 864 M CA -0.524 54.821 55.300 0.075 0.000 0.952 864 M CB 0.908 33.584 32.600 0.126 0.000 1.511 864 M HN 0.686 nan 8.290 nan 0.000 0.422 865 A N 7.037 129.916 122.820 0.098 0.000 2.276 865 A HA 0.633 4.968 4.320 0.025 0.000 0.300 865 A C -0.661 176.954 177.584 0.051 0.000 1.235 865 A CA -0.560 51.532 52.037 0.091 0.000 0.867 865 A CB 0.019 19.052 19.000 0.056 0.000 1.137 865 A HN 0.919 nan 8.150 nan 0.000 0.527 866 I N 2.707 123.296 120.570 0.032 0.000 2.362 866 I HA 0.301 4.486 4.170 0.025 0.000 0.289 866 I C -0.119 175.891 176.117 -0.179 0.000 0.994 866 I CA -0.208 61.010 61.300 -0.136 0.000 1.158 866 I CB 1.910 39.852 38.000 -0.096 0.000 1.315 866 I HN 0.486 nan 8.210 nan 0.000 0.451 867 T N 5.761 120.177 114.554 -0.230 0.000 2.823 867 T HA 0.543 4.907 4.350 0.025 0.000 0.279 867 T C -0.255 174.258 174.700 -0.312 0.000 0.998 867 T CA -0.470 61.505 62.100 -0.209 0.000 0.994 867 T CB 2.075 70.919 68.868 -0.040 0.000 0.960 867 T HN 0.222 nan 8.240 nan 0.000 0.448 868 V N 3.639 123.255 119.914 -0.496 0.000 2.483 868 V HA 0.447 4.582 4.120 0.025 0.000 0.297 868 V C -0.780 175.183 176.094 -0.217 0.000 1.027 868 V CA -0.891 61.138 62.300 -0.452 0.000 0.855 868 V CB 1.930 33.192 31.823 -0.935 0.000 0.995 868 V HN 0.849 nan 8.190 nan 0.000 0.424 869 D N 3.508 123.925 120.400 0.029 0.000 2.481 869 D HA 0.540 5.195 4.640 0.025 0.000 0.246 869 D C -0.909 175.519 176.300 0.213 0.000 1.109 869 D CA -0.093 54.012 54.000 0.176 0.000 0.845 869 D CB 2.730 43.649 40.800 0.199 0.000 1.160 869 D HN 0.250 nan 8.370 nan 0.000 0.534 870 V N 2.405 122.483 119.914 0.273 0.000 2.628 870 V HA 0.314 4.448 4.120 0.025 0.000 0.306 870 V C 0.036 176.280 176.094 0.250 0.000 1.045 870 V CA -0.678 61.800 62.300 0.296 0.000 0.905 870 V CB 2.453 34.496 31.823 0.367 0.000 0.997 870 V HN 0.367 nan 8.190 nan 0.000 0.436 871 E N 2.341 122.673 120.200 0.220 0.000 2.183 871 E HA 0.659 5.024 4.350 0.025 0.000 0.271 871 E C -1.587 175.123 176.600 0.184 0.000 0.919 871 E CA -0.622 55.883 56.400 0.175 0.000 0.781 871 E CB 2.617 32.401 29.700 0.140 0.000 1.140 871 E HN 0.379 nan 8.360 nan 0.000 0.402 872 V N 2.062 122.084 119.914 0.181 0.000 2.483 872 V HA 0.369 4.504 4.120 0.025 0.000 0.297 872 V C -0.012 176.163 176.094 0.136 0.000 1.027 872 V CA -0.902 61.522 62.300 0.206 0.000 0.855 872 V CB 1.506 33.494 31.823 0.274 0.000 0.995 872 V HN 0.849 nan 8.190 nan 0.000 0.424 873 A N 3.493 126.345 122.820 0.055 0.000 2.540 873 A HA 0.292 4.627 4.320 0.025 0.000 0.239 873 A C 1.628 179.277 177.584 0.108 0.000 1.061 873 A CA 0.637 52.705 52.037 0.052 0.000 0.758 873 A CB 0.279 19.276 19.000 -0.005 0.000 0.991 873 A HN 1.384 nan 8.150 nan 0.000 0.502 874 S N 1.022 116.782 115.700 0.100 0.000 2.419 874 S HA -0.154 4.330 4.470 0.025 0.000 0.233 874 S C 0.852 175.531 174.600 0.132 0.000 1.016 874 S CA 1.342 59.622 58.200 0.134 0.000 0.974 874 S CB -0.294 62.965 63.200 0.099 0.000 0.786 874 S HN 0.820 nan 8.310 nan 0.000 0.492 875 D N 0.297 120.749 120.400 0.086 0.000 2.340 875 D HA 0.144 4.799 4.640 0.025 0.000 0.217 875 D C 0.509 176.845 176.300 0.060 0.000 1.081 875 D CA 0.008 54.044 54.000 0.060 0.000 0.842 875 D CB -0.385 40.437 40.800 0.037 0.000 0.934 875 D HN 0.310 nan 8.370 nan 0.000 0.511 876 T N 1.589 116.204 114.554 0.101 0.000 2.922 876 T HA 0.378 4.743 4.350 0.025 0.000 0.285 876 T C -2.575 172.234 174.700 0.182 0.000 1.005 876 T CA -1.895 60.291 62.100 0.145 0.000 1.061 876 T CB 1.241 70.204 68.868 0.158 0.000 1.007 876 T HN -0.129 nan 8.240 nan 0.000 0.502 877 P HA 0.088 nan 4.420 nan 0.000 0.266 877 P C -0.663 176.946 177.300 0.515 0.000 1.195 877 P CA 0.038 63.246 63.100 0.180 0.000 0.768 877 P CB -0.024 31.764 31.700 0.147 0.000 0.838 878 H N 3.417 122.863 119.070 0.626 0.000 3.070 878 H HA 0.069 4.640 4.556 0.025 0.000 0.313 878 H C -1.531 174.141 175.328 0.574 0.000 0.997 878 H CA -1.289 55.066 56.048 0.512 0.000 1.438 878 H CB -0.438 29.562 29.762 0.397 0.000 1.455 878 H HN 0.384 nan 8.280 nan 0.000 0.575 879 P HA 0.010 nan 4.420 nan 0.000 0.274 879 P C 0.150 177.338 177.300 -0.187 0.000 1.237 879 P CA -0.296 62.879 63.100 0.124 0.000 0.793 879 P CB 1.141 32.754 31.700 -0.146 0.000 0.977 880 A N 3.101 125.528 122.820 -0.655 0.000 1.969 880 A HA -0.096 4.239 4.320 0.025 0.000 0.218 880 A C 1.055 178.227 177.584 -0.688 0.000 1.169 880 A CA 1.324 52.929 52.037 -0.720 0.000 0.635 880 A CB -0.526 17.805 19.000 -1.114 0.000 0.810 880 A HN 0.753 nan 8.150 nan 0.000 0.445 881 R N -2.875 117.264 120.500 -0.601 0.000 2.728 881 R HA 0.737 5.091 4.340 0.025 0.000 0.274 881 R C -1.645 174.408 176.300 -0.413 0.000 1.030 881 R CA -0.799 54.972 56.100 -0.549 0.000 0.876 881 R CB 0.854 30.799 30.300 -0.591 0.000 1.259 881 R HN -0.005 nan 8.270 nan 0.000 0.468 882 I N 1.074 121.437 120.570 -0.345 0.000 2.517 882 I HA 0.645 4.830 4.170 0.025 0.000 0.280 882 I C -0.461 175.423 176.117 -0.389 0.000 1.061 882 I CA -0.386 60.742 61.300 -0.286 0.000 1.091 882 I CB 1.866 39.768 38.000 -0.163 0.000 1.205 882 I HN 0.961 nan 8.210 nan 0.000 0.459 883 G N 5.873 114.383 108.800 -0.483 0.000 2.706 883 G HA2 0.770 4.745 3.960 0.025 0.000 0.307 883 G HA3 0.770 4.745 3.960 0.025 0.000 0.307 883 G C -1.670 173.063 174.900 -0.278 0.000 1.307 883 G CA -0.581 44.280 45.100 -0.397 0.000 0.790 883 G HN 0.279 nan 8.290 nan 0.000 0.503 884 L N 0.628 121.744 121.223 -0.178 0.000 2.309 884 L HA 0.659 5.014 4.340 0.025 0.000 0.261 884 L C -0.761 176.011 176.870 -0.162 0.000 1.021 884 L CA -1.184 53.578 54.840 -0.129 0.000 0.823 884 L CB 2.508 44.573 42.059 0.009 0.000 1.366 884 L HN 0.801 nan 8.230 nan 0.000 0.423 885 N N 0.338 118.967 118.700 -0.119 0.000 2.610 885 N HA 0.713 5.468 4.740 0.025 0.000 0.264 885 N C -1.192 174.323 175.510 0.007 0.000 1.348 885 N CA -0.632 52.379 53.050 -0.064 0.000 0.819 885 N CB 2.160 40.630 38.487 -0.028 0.000 1.521 885 N HN 0.844 nan 8.380 nan 0.000 0.497 886 C N -1.638 117.682 119.300 0.034 0.000 3.311 886 C HA 0.635 5.110 4.460 0.025 0.000 0.325 886 C C -1.157 173.678 174.990 -0.258 0.000 1.352 886 C CA -0.846 58.151 59.018 -0.036 0.000 1.308 886 C CB 1.046 28.791 27.740 0.009 0.000 1.619 886 C HN 0.863 nan 8.230 nan 0.000 0.469 887 Q N 1.316 120.730 119.800 -0.643 0.000 2.347 887 Q HA 0.649 5.004 4.340 0.025 0.000 0.262 887 Q C -1.044 174.657 176.000 -0.497 0.000 0.980 887 Q CA -0.437 54.725 55.803 -1.068 0.000 0.867 887 Q CB 0.952 28.712 28.738 -1.629 0.000 1.242 887 Q HN 0.776 nan 8.270 nan 0.000 0.453 888 L N 2.525 123.560 121.223 -0.314 0.000 2.439 888 L HA 0.227 4.582 4.340 0.025 0.000 0.269 888 L C 1.151 177.955 176.870 -0.110 0.000 1.179 888 L CA -0.102 54.680 54.840 -0.097 0.000 0.828 888 L CB 0.789 42.897 42.059 0.082 0.000 1.106 888 L HN 0.836 nan 8.230 nan 0.000 0.467 889 A N 2.155 124.941 122.820 -0.056 0.000 2.016 889 A HA -0.065 4.270 4.320 0.025 0.000 0.217 889 A C 0.932 178.506 177.584 -0.016 0.000 1.162 889 A CA 0.595 52.590 52.037 -0.069 0.000 0.662 889 A CB -0.214 18.738 19.000 -0.081 0.000 0.812 889 A HN 0.823 nan 8.150 nan 0.000 0.450 890 Q N -0.500 119.332 119.800 0.054 0.000 2.212 890 Q HA 0.569 4.924 4.340 0.025 0.000 0.238 890 Q C -1.370 174.680 176.000 0.083 0.000 0.955 890 Q CA -0.607 55.220 55.803 0.040 0.000 0.906 890 Q CB 1.480 30.228 28.738 0.017 0.000 1.215 890 Q HN 0.057 nan 8.270 nan 0.000 0.478 891 V N 1.405 121.332 119.914 0.021 0.000 2.448 891 V HA 0.787 4.922 4.120 0.025 0.000 0.295 891 V C -0.608 175.439 176.094 -0.079 0.000 1.025 891 V CA -0.382 61.949 62.300 0.053 0.000 0.859 891 V CB 0.958 32.801 31.823 0.034 0.000 0.988 891 V HN 0.908 nan 8.190 nan 0.000 0.431 892 A N 3.196 125.899 122.820 -0.195 0.000 2.384 892 A HA 0.808 5.143 4.320 0.025 0.000 0.312 892 A C 0.614 178.180 177.584 -0.030 0.000 1.113 892 A CA -0.467 51.394 52.037 -0.292 0.000 0.779 892 A CB 1.377 19.948 19.000 -0.716 0.000 1.307 892 A HN 0.677 nan 8.150 nan 0.000 0.436 893 E N 0.539 120.724 120.200 -0.025 0.000 2.072 893 E HA -0.021 4.344 4.350 0.025 0.000 0.190 893 E C 0.227 176.890 176.600 0.104 0.000 0.982 893 E CA 1.028 57.453 56.400 0.042 0.000 0.803 893 E CB 0.038 29.748 29.700 0.018 0.000 0.755 893 E HN 0.506 nan 8.360 nan 0.000 0.453 894 R N -0.025 120.541 120.500 0.110 0.000 2.892 894 R HA 0.579 4.934 4.340 0.025 0.000 0.265 894 R C -0.448 176.031 176.300 0.299 0.000 1.025 894 R CA -0.957 55.250 56.100 0.179 0.000 0.982 894 R CB 1.663 32.043 30.300 0.133 0.000 1.185 894 R HN -0.197 nan 8.270 nan 0.000 0.484 895 V N 1.918 122.024 119.914 0.321 0.000 2.487 895 V HA 0.378 4.513 4.120 0.025 0.000 0.298 895 V C -0.239 176.125 176.094 0.450 0.000 1.028 895 V CA -0.900 61.629 62.300 0.382 0.000 0.860 895 V CB 1.786 33.777 31.823 0.280 0.000 0.991 895 V HN 0.656 nan 8.190 nan 0.000 0.427 896 N N 4.496 123.441 118.700 0.407 0.000 2.296 896 N HA 0.534 5.289 4.740 0.025 0.000 0.294 896 N C -1.420 174.352 175.510 0.437 0.000 1.033 896 N CA -0.449 52.820 53.050 0.365 0.000 0.839 896 N CB 2.780 41.375 38.487 0.179 0.000 1.395 896 N HN 0.815 nan 8.380 nan 0.000 0.479 897 W N 3.095 124.433 121.300 0.064 0.000 3.118 897 W HA 0.599 5.273 4.660 0.024 0.000 0.328 897 W C -2.025 174.460 176.519 -0.057 0.000 1.239 897 W CA -1.110 56.244 57.345 0.015 0.000 1.176 897 W CB 0.751 30.239 29.460 0.046 0.000 1.433 897 W HN 0.231 nan 8.180 nan 0.000 0.562 898 L N 4.013 125.206 121.223 -0.050 0.000 2.301 898 L HA 0.905 5.260 4.340 0.025 0.000 0.278 898 L C -0.036 176.619 176.870 -0.358 0.000 1.022 898 L CA 0.281 54.890 54.840 -0.385 0.000 0.854 898 L CB 0.593 42.531 42.059 -0.202 0.000 1.226 898 L HN 0.966 nan 8.230 nan 0.000 0.429 899 G N 3.721 112.132 108.800 -0.647 0.000 2.348 899 G HA2 0.247 4.222 3.960 0.025 0.000 0.296 899 G HA3 0.247 4.222 3.960 0.025 0.000 0.296 899 G C -1.680 173.209 174.900 -0.019 0.000 1.258 899 G CA -1.010 43.999 45.100 -0.151 0.000 0.868 899 G HN 0.392 nan 8.290 nan 0.000 0.488 900 L N 0.936 122.340 121.223 0.301 0.000 2.349 900 L HA 0.647 5.002 4.340 0.025 0.000 0.275 900 L C 1.015 178.015 176.870 0.216 0.000 1.115 900 L CA 0.583 55.570 54.840 0.246 0.000 0.820 900 L CB 0.815 42.970 42.059 0.160 0.000 1.135 900 L HN 1.147 nan 8.230 nan 0.000 0.445 901 G N 2.711 111.431 108.800 -0.132 0.000 2.341 901 G HA2 0.239 4.214 3.960 0.025 0.000 0.299 901 G HA3 0.239 4.214 3.960 0.025 0.000 0.299 901 G C -2.769 171.368 174.900 -1.273 0.000 1.274 901 G CA -0.262 44.405 45.100 -0.722 0.000 0.853 901 G HN 0.320 nan 8.290 nan 0.000 0.493 902 P HA 0.098 nan 4.420 nan 0.000 0.239 902 P C 0.434 177.531 177.300 -0.338 0.000 1.188 902 P CA 0.543 62.958 63.100 -1.142 0.000 0.794 902 P CB 0.542 31.685 31.700 -0.927 0.000 0.937 903 Q N 0.596 120.201 119.800 -0.326 0.000 2.318 903 Q HA 0.140 4.494 4.340 0.025 0.000 0.222 903 Q C 0.385 176.276 176.000 -0.182 0.000 1.003 903 Q CA -0.564 55.124 55.803 -0.191 0.000 0.936 903 Q CB 0.713 29.355 28.738 -0.159 0.000 1.204 903 Q HN 0.136 nan 8.270 nan 0.000 0.524 904 E N 1.358 121.456 120.200 -0.171 0.000 2.502 904 E HA -0.118 4.247 4.350 0.025 0.000 0.261 904 E C -1.122 175.396 176.600 -0.136 0.000 0.974 904 E CA 0.300 56.586 56.400 -0.191 0.000 0.936 904 E CB 0.242 29.893 29.700 -0.080 0.000 0.926 904 E HN 0.588 nan 8.360 nan 0.000 0.459 905 N N 2.701 121.250 118.700 -0.253 0.000 2.331 905 N HA 0.342 5.097 4.740 0.025 0.000 0.280 905 N C -1.858 173.425 175.510 -0.378 0.000 1.155 905 N CA -0.672 52.283 53.050 -0.157 0.000 0.822 905 N CB 0.761 39.176 38.487 -0.120 0.000 1.619 905 N HN 0.265 nan 8.380 nan 0.000 0.476 906 Y N -0.258 119.952 120.300 -0.151 0.000 2.633 906 Y HA 0.510 5.075 4.550 0.025 0.000 0.339 906 Y C -1.687 174.133 175.900 -0.133 0.000 1.045 906 Y CA -2.026 55.968 58.100 -0.177 0.000 1.098 906 Y CB 1.948 40.299 38.460 -0.181 0.000 1.296 906 Y HN 0.437 nan 8.280 nan 0.000 0.494 907 P HA -0.166 nan 4.420 nan 0.000 0.216 907 P C 0.369 177.511 177.300 -0.263 0.000 1.153 907 P CA 2.159 65.275 63.100 0.027 0.000 0.858 907 P CB 0.191 32.021 31.700 0.218 0.000 0.789 908 D N -2.162 117.868 120.400 -0.617 0.000 2.328 908 D HA -0.011 4.644 4.640 0.025 0.000 0.221 908 D C 0.751 176.898 176.300 -0.256 0.000 1.072 908 D CA 0.174 53.627 54.000 -0.910 0.000 0.850 908 D CB -0.329 39.745 40.800 -1.210 0.000 0.922 908 D HN 0.133 nan 8.370 nan 0.000 0.516 909 R N 1.009 121.458 120.500 -0.085 0.000 2.627 909 R HA 0.206 4.561 4.340 0.025 0.000 0.251 909 R C -0.665 175.668 176.300 0.055 0.000 1.524 909 R CA -0.188 55.930 56.100 0.031 0.000 1.606 909 R CB 0.012 30.339 30.300 0.045 0.000 1.396 909 R HN 0.096 nan 8.270 nan 0.000 0.724 910 L N -1.673 119.588 121.223 0.063 0.000 3.298 910 L HA 0.347 4.701 4.340 0.025 0.000 0.296 910 L C 1.334 178.262 176.870 0.097 0.000 1.237 910 L CA -0.010 54.867 54.840 0.061 0.000 1.038 910 L CB 0.235 42.320 42.059 0.043 0.000 1.423 910 L HN 0.090 nan 8.230 nan 0.000 0.605 911 T N -2.539 112.099 114.554 0.141 0.000 2.867 911 T HA -0.018 4.347 4.350 0.025 0.000 0.268 911 T C 1.770 176.517 174.700 0.079 0.000 1.057 911 T CA 1.339 63.547 62.100 0.179 0.000 1.136 911 T CB -0.277 68.755 68.868 0.273 0.000 0.874 911 T HN 0.388 nan 8.240 nan 0.000 0.466 912 A N 1.501 124.374 122.820 0.088 0.000 2.119 912 A HA 0.654 4.988 4.320 0.025 0.000 0.216 912 A C 1.598 179.255 177.584 0.122 0.000 1.152 912 A CA 0.517 52.564 52.037 0.016 0.000 0.708 912 A CB -0.894 18.264 19.000 0.263 0.000 0.805 912 A HN 0.845 nan 8.150 nan 0.000 0.460 913 A N -1.164 121.685 122.820 0.048 0.000 2.351 913 A HA 0.477 4.812 4.320 0.025 0.000 0.257 913 A C 0.003 177.623 177.584 0.060 0.000 1.087 913 A CA -0.118 51.915 52.037 -0.006 0.000 0.798 913 A CB -0.002 18.986 19.000 -0.019 0.000 1.033 913 A HN 0.472 nan 8.150 nan 0.000 0.488 914 C N 0.076 119.417 119.300 0.069 0.000 2.493 914 C HA 0.549 5.024 4.460 0.025 0.000 0.326 914 C C -0.186 174.930 174.990 0.211 0.000 1.200 914 C CA -0.474 58.637 59.018 0.156 0.000 1.739 914 C CB 0.822 28.663 27.740 0.168 0.000 2.300 914 C HN 0.772 nan 8.230 nan 0.000 0.500 915 F N 3.531 123.360 119.950 -0.202 0.000 2.444 915 F HA 0.474 5.016 4.527 0.025 0.000 0.360 915 F C 0.320 175.757 175.800 -0.605 0.000 1.106 915 F CA 1.098 58.828 58.000 -0.451 0.000 1.170 915 F CB -0.102 38.234 39.000 -1.106 0.000 1.113 915 F HN 0.622 nan 8.300 nan 0.000 0.521 916 D N 3.303 123.073 120.400 -1.051 0.000 2.851 916 D HA 0.205 4.859 4.640 0.025 0.000 0.339 916 D C -1.584 173.812 176.300 -1.506 0.000 1.347 916 D CA -0.727 52.532 54.000 -1.235 0.000 0.888 916 D CB 1.531 41.511 40.800 -1.367 0.000 1.431 916 D HN 0.469 nan 8.370 nan 0.000 0.509 917 R N 0.755 120.477 120.500 -1.297 0.000 2.198 917 R HA 0.498 4.853 4.340 0.025 0.000 0.339 917 R C -1.377 174.228 176.300 -1.159 0.000 1.020 917 R CA -0.276 55.220 56.100 -1.007 0.000 0.864 917 R CB 0.154 30.110 30.300 -0.573 0.000 1.105 917 R HN 0.269 nan 8.270 nan 0.000 0.463 918 W N 2.746 123.549 121.300 -0.828 0.000 2.627 918 W HA 0.402 5.077 4.660 0.025 0.000 0.339 918 W C -0.422 175.754 176.519 -0.571 0.000 1.058 918 W CA -0.698 56.118 57.345 -0.883 0.000 1.223 918 W CB 1.744 30.148 29.460 -1.759 0.000 1.389 918 W HN 0.399 nan 8.180 nan 0.000 0.541 919 D N 2.853 123.241 120.400 -0.020 0.000 2.763 919 D HA 0.440 5.095 4.640 0.025 0.000 0.235 919 D C -1.544 174.866 176.300 0.184 0.000 1.334 919 D CA -0.188 53.882 54.000 0.117 0.000 0.950 919 D CB 1.038 41.862 40.800 0.040 0.000 1.433 919 D HN 0.365 nan 8.370 nan 0.000 0.580 920 L N 3.189 124.591 121.223 0.299 0.000 2.350 920 L HA 0.561 4.916 4.340 0.025 0.000 0.260 920 L C -2.254 174.735 176.870 0.198 0.000 1.015 920 L CA -2.250 52.730 54.840 0.234 0.000 0.821 920 L CB 2.653 44.887 42.059 0.292 0.000 1.370 920 L HN 0.185 nan 8.230 nan 0.000 0.416 921 P HA 0.007 nan 4.420 nan 0.000 0.269 921 P C 0.564 177.943 177.300 0.131 0.000 1.209 921 P CA -0.295 62.877 63.100 0.121 0.000 0.776 921 P CB 0.799 32.549 31.700 0.084 0.000 0.876 922 L N 3.360 124.666 121.223 0.139 0.000 2.043 922 L HA -0.275 4.079 4.340 0.025 0.000 0.212 922 L C 2.268 179.184 176.870 0.077 0.000 1.075 922 L CA 2.783 57.694 54.840 0.120 0.000 0.752 922 L CB -1.486 40.660 42.059 0.145 0.000 0.891 922 L HN 0.463 nan 8.230 nan 0.000 0.432 923 S N -1.661 114.086 115.700 0.078 0.000 2.400 923 S HA -0.203 4.282 4.470 0.025 0.000 0.232 923 S C 1.630 176.298 174.600 0.114 0.000 1.025 923 S CA 1.222 59.483 58.200 0.101 0.000 0.993 923 S CB -0.880 62.373 63.200 0.090 0.000 0.808 923 S HN 0.533 nan 8.310 nan 0.000 0.478 924 D N 1.261 121.704 120.400 0.073 0.000 2.310 924 D HA 0.048 4.702 4.640 0.025 0.000 0.212 924 D C 1.288 177.588 176.300 -0.001 0.000 0.965 924 D CA 0.726 54.748 54.000 0.036 0.000 0.879 924 D CB -0.200 40.628 40.800 0.047 0.000 0.921 924 D HN 0.387 nan 8.370 nan 0.000 0.510 925 M N -0.526 119.081 119.600 0.011 0.000 2.494 925 M HA 0.073 4.567 4.480 0.025 0.000 0.232 925 M C -0.140 176.155 176.300 -0.007 0.000 1.137 925 M CA -0.035 55.225 55.300 -0.067 0.000 1.012 925 M CB -0.751 31.800 32.600 -0.081 0.000 1.567 925 M HN -0.045 nan 8.290 nan 0.000 0.486 926 Y N -0.001 120.251 120.300 -0.079 0.000 2.391 926 Y HA 0.493 5.058 4.550 0.025 0.000 0.341 926 Y C -0.801 175.050 175.900 -0.082 0.000 0.965 926 Y CA -1.022 57.055 58.100 -0.039 0.000 1.067 926 Y CB 1.302 39.796 38.460 0.057 0.000 1.199 926 Y HN -0.128 nan 8.280 nan 0.000 0.450 927 T N 9.192 123.284 114.554 -0.771 0.000 2.743 927 T HA 0.288 4.653 4.350 0.025 0.000 0.292 927 T C -2.672 171.273 174.700 -1.258 0.000 0.972 927 T CA -1.469 60.101 62.100 -0.883 0.000 0.967 927 T CB 1.038 69.450 68.868 -0.761 0.000 0.926 927 T HN 0.456 nan 8.240 nan 0.000 0.459 928 P HA 0.142 nan 4.420 nan 0.000 0.220 928 P C -0.627 176.550 177.300 -0.205 0.000 1.806 928 P CA -0.466 62.234 63.100 -0.667 0.000 0.976 928 P CB -0.687 30.764 31.700 -0.415 0.000 1.952 929 Y N -0.214 120.029 120.300 -0.095 0.000 2.712 929 Y HA -0.106 4.459 4.550 0.025 0.000 0.333 929 Y C 2.281 178.229 175.900 0.080 0.000 1.225 929 Y CA -0.498 57.596 58.100 -0.010 0.000 1.499 929 Y CB 0.558 38.939 38.460 -0.132 0.000 1.288 929 Y HN -0.071 nan 8.280 nan 0.000 0.575 930 V N 3.643 123.770 119.914 0.356 0.000 2.332 930 V HA -0.309 3.826 4.120 0.025 0.000 0.248 930 V C 0.558 176.816 176.094 0.273 0.000 1.055 930 V CA 1.418 63.908 62.300 0.318 0.000 1.038 930 V CB -0.527 31.520 31.823 0.373 0.000 0.651 930 V HN 0.576 nan 8.190 nan 0.000 0.450 931 F N 3.166 123.151 119.950 0.059 0.000 2.375 931 F HA 0.492 5.034 4.527 0.025 0.000 0.362 931 F C -2.413 173.380 175.800 -0.012 0.000 1.129 931 F CA -3.401 54.577 58.000 -0.037 0.000 1.154 931 F CB 0.642 39.505 39.000 -0.228 0.000 1.205 931 F HN 0.008 nan 8.300 nan 0.000 0.513 932 P HA 0.328 nan 4.420 nan 0.000 0.274 932 P C -1.062 175.920 177.300 -0.529 0.000 1.231 932 P CA -0.057 62.799 63.100 -0.406 0.000 0.790 932 P CB 1.399 32.889 31.700 -0.351 0.000 0.951 933 S N -0.507 115.075 115.700 -0.196 0.000 2.724 933 S HA 0.422 4.907 4.470 0.025 0.000 0.278 933 S C -0.857 173.732 174.600 -0.020 0.000 1.190 933 S CA -0.928 57.200 58.200 -0.120 0.000 0.860 933 S CB 0.221 63.381 63.200 -0.067 0.000 1.206 933 S HN 0.337 nan 8.310 nan 0.000 0.507 934 E N 1.288 121.489 120.200 0.002 0.000 2.529 934 E HA 0.350 4.715 4.350 0.025 0.000 0.259 934 E C -0.196 176.457 176.600 0.087 0.000 0.966 934 E CA 0.853 57.283 56.400 0.050 0.000 0.937 934 E CB -0.266 29.489 29.700 0.091 0.000 0.923 934 E HN 0.792 nan 8.360 nan 0.000 0.468 935 N N 1.642 120.429 118.700 0.145 0.000 3.046 935 N HA 0.488 5.243 4.740 0.025 0.000 0.243 935 N C 0.184 175.747 175.510 0.088 0.000 1.452 935 N CA -0.482 52.692 53.050 0.207 0.000 0.882 935 N CB 0.926 39.534 38.487 0.201 0.000 1.425 935 N HN 0.732 nan 8.380 nan 0.000 0.517 936 G N -1.324 107.487 108.800 0.019 0.000 2.184 936 G HA2 -0.260 3.714 3.960 0.025 0.000 0.264 936 G HA3 -0.260 3.714 3.960 0.025 0.000 0.264 936 G C -0.198 174.440 174.900 -0.436 0.000 0.975 936 G CA 0.401 45.391 45.100 -0.184 0.000 0.642 936 G HN 0.716 nan 8.290 nan 0.000 0.536 937 L N 0.014 120.903 121.223 -0.558 0.000 2.499 937 L HA 0.647 5.002 4.340 0.025 0.000 0.281 937 L C 0.701 176.995 176.870 -0.960 0.000 1.234 937 L CA 0.499 54.774 54.840 -0.942 0.000 0.839 937 L CB 0.515 41.707 42.059 -1.446 0.000 1.104 937 L HN 0.271 nan 8.230 nan 0.000 0.500 938 R N 2.044 121.895 120.500 -1.082 0.000 2.575 938 R HA 0.504 4.859 4.340 0.025 0.000 0.293 938 R C -0.998 174.970 176.300 -0.555 0.000 0.983 938 R CA -0.287 55.334 56.100 -0.799 0.000 0.887 938 R CB 1.458 31.166 30.300 -0.988 0.000 1.184 938 R HN 0.689 nan 8.270 nan 0.000 0.445 939 C N 0.169 119.293 119.300 -0.294 0.000 2.380 939 C HA 0.728 5.203 4.460 0.025 0.000 0.393 939 C C 1.339 176.326 174.990 -0.004 0.000 1.284 939 C CA 0.120 59.041 59.018 -0.161 0.000 2.033 939 C CB 1.335 29.003 27.740 -0.120 0.000 2.165 939 C HN 1.025 nan 8.230 nan 0.000 0.540 940 G N 1.518 110.323 108.800 0.009 0.000 2.283 940 G HA2 -0.192 3.783 3.960 0.025 0.000 0.280 940 G HA3 -0.192 3.783 3.960 0.025 0.000 0.280 940 G C -0.025 174.967 174.900 0.154 0.000 1.029 940 G CA 0.655 45.816 45.100 0.102 0.000 0.840 940 G HN 0.788 nan 8.290 nan 0.000 0.505 941 T N -0.040 114.474 114.554 -0.065 0.000 2.799 941 T HA 0.527 4.892 4.350 0.025 0.000 0.286 941 T C 1.318 175.737 174.700 -0.470 0.000 0.973 941 T CA -0.603 61.417 62.100 -0.133 0.000 1.035 941 T CB 1.387 70.218 68.868 -0.062 0.000 0.932 941 T HN 0.183 nan 8.240 nan 0.000 0.469 942 R N 1.464 121.909 120.500 -0.091 0.000 2.254 942 R HA 0.284 4.639 4.340 0.025 0.000 0.193 942 R C 0.524 176.861 176.300 0.062 0.000 0.929 942 R CA 0.235 56.328 56.100 -0.010 0.000 1.038 942 R CB 0.353 30.781 30.300 0.213 0.000 1.009 942 R HN 0.702 nan 8.270 nan 0.000 0.512 943 E N 0.454 120.703 120.200 0.081 0.000 2.335 943 E HA 0.349 4.714 4.350 0.025 0.000 0.280 943 E C -1.864 174.883 176.600 0.244 0.000 0.918 943 E CA -0.673 55.853 56.400 0.211 0.000 0.765 943 E CB 1.527 31.316 29.700 0.147 0.000 1.218 943 E HN -0.083 nan 8.360 nan 0.000 0.425 944 L N 3.928 125.356 121.223 0.341 0.000 2.410 944 L HA 0.622 4.977 4.340 0.025 0.000 0.270 944 L C -1.873 175.194 176.870 0.328 0.000 0.983 944 L CA -0.380 54.594 54.840 0.223 0.000 0.822 944 L CB 1.843 43.856 42.059 -0.076 0.000 1.285 944 L HN 0.477 nan 8.230 nan 0.000 0.409 945 N N 4.112 122.978 118.700 0.276 0.000 2.284 945 N HA 0.454 5.209 4.740 0.025 0.000 0.300 945 N C -1.990 173.751 175.510 0.386 0.000 1.047 945 N CA -0.259 52.953 53.050 0.270 0.000 0.821 945 N CB 2.230 40.817 38.487 0.167 0.000 1.337 945 N HN 0.629 nan 8.380 nan 0.000 0.482 946 Y N 0.869 121.313 120.300 0.241 0.000 2.323 946 Y HA 0.414 4.979 4.550 0.025 0.000 0.322 946 Y C 0.499 176.503 175.900 0.174 0.000 1.133 946 Y CA 0.174 58.412 58.100 0.232 0.000 1.093 946 Y CB 0.597 39.258 38.460 0.335 0.000 1.203 946 Y HN 0.862 nan 8.280 nan 0.000 0.427 947 G N 6.502 115.127 108.800 -0.292 0.000 2.547 947 G HA2 -0.269 3.706 3.960 0.025 0.000 0.271 947 G HA3 -0.269 3.706 3.960 0.025 0.000 0.271 947 G C -2.006 172.779 174.900 -0.191 0.000 1.209 947 G CA -0.042 44.889 45.100 -0.283 0.000 0.959 947 G HN 0.597 nan 8.290 nan 0.000 0.563 948 P HA 0.165 nan 4.420 nan 0.000 0.255 948 P C 0.148 177.253 177.300 -0.324 0.000 1.248 948 P CA 0.577 63.499 63.100 -0.296 0.000 0.807 948 P CB 0.016 31.482 31.700 -0.391 0.000 1.150 949 H N 0.322 119.332 119.070 -0.102 0.000 2.483 949 H HA 0.455 5.025 4.556 0.025 0.000 0.338 949 H C -0.126 174.936 175.328 -0.443 0.000 1.152 949 H CA -0.071 55.800 56.048 -0.294 0.000 1.264 949 H CB 1.655 31.065 29.762 -0.587 0.000 1.510 949 H HN 0.075 nan 8.280 nan 0.000 0.530 950 Q N 2.212 121.765 119.800 -0.412 0.000 2.304 950 Q HA 0.229 4.584 4.340 0.025 0.000 0.270 950 Q C -1.555 174.201 176.000 -0.407 0.000 1.035 950 Q CA -0.693 54.959 55.803 -0.251 0.000 0.781 950 Q CB 1.931 30.653 28.738 -0.027 0.000 1.261 950 Q HN 0.570 nan 8.270 nan 0.000 0.444 951 W N 4.189 125.453 121.300 -0.060 0.000 2.532 951 W HA 0.545 5.220 4.660 0.025 0.000 0.321 951 W C -0.210 176.399 176.519 0.151 0.000 1.037 951 W CA -0.723 56.557 57.345 -0.108 0.000 1.220 951 W CB 1.832 31.035 29.460 -0.428 0.000 1.361 951 W HN 0.490 nan 8.180 nan 0.000 0.468 952 R N 0.991 121.736 120.500 0.409 0.000 2.670 952 R HA 0.797 5.152 4.340 0.025 0.000 0.289 952 R C 0.273 176.860 176.300 0.479 0.000 0.965 952 R CA -0.427 55.923 56.100 0.417 0.000 0.899 952 R CB 2.318 32.773 30.300 0.258 0.000 1.173 952 R HN 0.740 nan 8.270 nan 0.000 0.456 953 G N 0.724 109.799 108.800 0.458 0.000 2.566 953 G HA2 0.023 3.997 3.960 0.025 0.000 0.138 953 G HA3 0.023 3.997 3.960 0.025 0.000 0.138 953 G C -1.777 173.260 174.900 0.229 0.000 1.133 953 G CA -0.323 45.021 45.100 0.407 0.000 1.037 953 G HN 0.495 nan 8.290 nan 0.000 0.491 954 D N -0.066 120.458 120.400 0.207 0.000 2.337 954 D HA 0.572 5.227 4.640 0.025 0.000 0.238 954 D C -0.763 175.533 176.300 -0.006 0.000 1.331 954 D CA -0.494 53.503 54.000 -0.005 0.000 0.967 954 D CB 0.191 41.028 40.800 0.062 0.000 1.382 954 D HN 0.553 nan 8.370 nan 0.000 0.549 955 F N -0.139 119.811 119.950 -0.000 0.000 2.726 955 F HA 0.734 5.276 4.527 0.025 0.000 0.324 955 F C -0.999 174.762 175.800 -0.065 0.000 1.140 955 F CA -1.031 56.906 58.000 -0.106 0.000 0.964 955 F CB 0.799 39.734 39.000 -0.109 0.000 1.399 955 F HN -0.142 nan 8.300 nan 0.000 0.491 956 Q N 1.688 121.570 119.800 0.138 0.000 2.306 956 Q HA 0.608 4.963 4.340 0.025 0.000 0.265 956 Q C -1.293 174.775 176.000 0.114 0.000 1.022 956 Q CA -0.498 55.300 55.803 -0.010 0.000 0.853 956 Q CB 2.636 31.262 28.738 -0.185 0.000 1.327 956 Q HN 0.845 nan 8.270 nan 0.000 0.449 957 F N -0.809 119.035 119.950 -0.176 0.000 2.626 957 F HA 0.767 5.309 4.527 0.025 0.000 0.311 957 F C -1.324 174.257 175.800 -0.364 0.000 1.088 957 F CA -1.081 56.766 58.000 -0.255 0.000 0.949 957 F CB 1.685 40.549 39.000 -0.227 0.000 1.322 957 F HN 0.559 nan 8.300 nan 0.000 0.461 958 N N 1.599 120.117 118.700 -0.303 0.000 2.357 958 N HA 0.736 5.490 4.740 0.025 0.000 0.284 958 N C -2.087 173.354 175.510 -0.113 0.000 1.236 958 N CA -0.781 52.070 53.050 -0.332 0.000 0.774 958 N CB 2.617 40.924 38.487 -0.300 0.000 1.534 958 N HN 1.109 nan 8.380 nan 0.000 0.478 959 I N 0.371 120.866 120.570 -0.125 0.000 2.649 959 I HA 0.640 4.825 4.170 0.025 0.000 0.289 959 I C -1.481 174.548 176.117 -0.148 0.000 1.222 959 I CA 0.098 61.293 61.300 -0.175 0.000 1.046 959 I CB 1.241 39.080 38.000 -0.270 0.000 1.272 959 I HN 1.055 nan 8.210 nan 0.000 0.425 960 S N 6.095 121.718 115.700 -0.127 0.000 2.636 960 S HA 0.504 4.989 4.470 0.025 0.000 0.266 960 S C -0.190 174.293 174.600 -0.196 0.000 1.147 960 S CA -1.007 57.104 58.200 -0.148 0.000 0.815 960 S CB 1.669 64.825 63.200 -0.074 0.000 1.119 960 S HN 0.607 nan 8.310 nan 0.000 0.470 961 R N -0.178 120.012 120.500 -0.518 0.000 2.320 961 R HA 0.242 4.597 4.340 0.025 0.000 0.211 961 R C -0.837 175.154 176.300 -0.516 0.000 0.931 961 R CA 0.355 56.149 56.100 -0.509 0.000 1.071 961 R CB -0.954 28.973 30.300 -0.621 0.000 1.025 961 R HN 0.668 nan 8.270 nan 0.000 0.495 962 Y N 0.199 120.481 120.300 -0.030 0.000 2.350 962 Y HA 0.193 4.758 4.550 0.025 0.000 0.338 962 Y C 0.692 176.381 175.900 -0.352 0.000 0.961 962 Y CA -1.127 56.868 58.100 -0.175 0.000 1.100 962 Y CB 1.463 39.761 38.460 -0.270 0.000 1.179 962 Y HN -0.092 nan 8.280 nan 0.000 0.454 963 S N 1.555 116.916 115.700 -0.565 0.000 2.584 963 S HA 0.031 4.516 4.470 0.025 0.000 0.270 963 S C 0.895 175.151 174.600 -0.574 0.000 1.346 963 S CA -0.742 56.746 58.200 -1.188 0.000 1.018 963 S CB 1.079 63.455 63.200 -1.373 0.000 0.899 963 S HN 0.728 nan 8.310 nan 0.000 0.542 964 Q N 0.612 120.094 119.800 -0.531 0.000 2.124 964 Q HA -0.191 4.164 4.340 0.025 0.000 0.202 964 Q C 2.232 178.083 176.000 -0.248 0.000 0.977 964 Q CA 1.717 57.350 55.803 -0.284 0.000 0.850 964 Q CB -0.527 28.079 28.738 -0.221 0.000 0.901 964 Q HN 0.954 nan 8.270 nan 0.000 0.429 965 Q N 0.716 120.330 119.800 -0.310 0.000 2.061 965 Q HA -0.236 4.119 4.340 0.025 0.000 0.204 965 Q C 2.139 178.025 176.000 -0.190 0.000 0.984 965 Q CA 1.660 57.342 55.803 -0.202 0.000 0.846 965 Q CB -0.005 28.625 28.738 -0.180 0.000 0.902 965 Q HN 0.410 nan 8.270 nan 0.000 0.421 966 Q N 0.024 119.682 119.800 -0.237 0.000 2.096 966 Q HA -0.188 4.167 4.340 0.025 0.000 0.204 966 Q C 2.211 178.074 176.000 -0.229 0.000 0.982 966 Q CA 1.489 57.161 55.803 -0.219 0.000 0.850 966 Q CB -0.112 28.470 28.738 -0.259 0.000 0.901 966 Q HN 0.485 nan 8.270 nan 0.000 0.422 967 L N 0.421 121.506 121.223 -0.229 0.000 2.046 967 L HA -0.219 4.136 4.340 0.025 0.000 0.208 967 L C 2.692 179.424 176.870 -0.231 0.000 1.077 967 L CA 1.565 56.265 54.840 -0.233 0.000 0.747 967 L CB -0.500 41.458 42.059 -0.169 0.000 0.896 967 L HN 0.474 nan 8.230 nan 0.000 0.432 968 M N -1.872 117.625 119.600 -0.173 0.000 2.492 968 M HA -0.062 4.433 4.480 0.025 0.000 0.262 968 M C 1.416 177.638 176.300 -0.129 0.000 1.090 968 M CA 1.542 56.757 55.300 -0.142 0.000 1.110 968 M CB -0.304 32.231 32.600 -0.109 0.000 1.407 968 M HN 0.065 nan 8.290 nan 0.000 0.470 969 E N 0.888 121.008 120.200 -0.133 0.000 2.474 969 E HA 0.109 4.473 4.350 0.025 0.000 0.194 969 E C -0.432 176.109 176.600 -0.098 0.000 1.041 969 E CA 0.192 56.535 56.400 -0.093 0.000 0.874 969 E CB 0.616 30.268 29.700 -0.079 0.000 0.914 969 E HN 0.401 nan 8.360 nan 0.000 0.498 970 T N -0.034 114.423 114.554 -0.161 0.000 2.779 970 T HA 0.096 4.461 4.350 0.025 0.000 0.280 970 T C 0.993 175.582 174.700 -0.184 0.000 0.987 970 T CA -0.483 61.520 62.100 -0.162 0.000 0.966 970 T CB 1.677 70.409 68.868 -0.228 0.000 0.933 970 T HN 0.018 nan 8.240 nan 0.000 0.442 971 S N 1.949 117.643 115.700 -0.009 0.000 2.470 971 S HA 0.047 4.532 4.470 0.025 0.000 0.225 971 S C 0.297 174.978 174.600 0.134 0.000 1.006 971 S CA 0.411 58.702 58.200 0.152 0.000 0.934 971 S CB -0.253 63.171 63.200 0.373 0.000 0.778 971 S HN 0.753 nan 8.310 nan 0.000 0.517 972 H N 0.339 119.405 119.070 -0.007 0.000 2.771 972 H HA 0.488 5.059 4.556 0.025 0.000 0.361 972 H C 0.904 176.192 175.328 -0.067 0.000 1.108 972 H CA -0.730 55.365 56.048 0.079 0.000 1.201 972 H CB 1.525 31.322 29.762 0.059 0.000 1.681 972 H HN 0.119 nan 8.280 nan 0.000 0.534 973 R N 1.916 122.514 120.500 0.164 0.000 2.127 973 R HA -0.182 4.173 4.340 0.025 0.000 0.238 973 R C 1.170 177.476 176.300 0.009 0.000 1.134 973 R CA 1.969 58.098 56.100 0.049 0.000 0.975 973 R CB -0.460 29.911 30.300 0.117 0.000 0.865 973 R HN 0.781 nan 8.270 nan 0.000 0.447 974 H N 0.941 120.006 119.070 -0.010 0.000 2.545 974 H HA 0.037 4.607 4.556 0.025 0.000 0.282 974 H C 1.444 176.680 175.328 -0.154 0.000 1.020 974 H CA 0.742 56.744 56.048 -0.076 0.000 1.243 974 H CB -0.110 29.598 29.762 -0.089 0.000 1.377 974 H HN 0.318 nan 8.280 nan 0.000 0.581 975 L N 0.944 121.786 121.223 -0.634 0.000 2.607 975 L HA 0.231 4.586 4.340 0.025 0.000 0.228 975 L C 0.643 177.351 176.870 -0.271 0.000 1.123 975 L CA -0.167 54.368 54.840 -0.510 0.000 0.890 975 L CB 0.175 41.887 42.059 -0.577 0.000 1.103 975 L HN 0.052 nan 8.230 nan 0.000 0.468 976 L N 0.998 122.048 121.223 -0.289 0.000 2.439 976 L HA 0.144 4.498 4.340 0.025 0.000 0.269 976 L C 0.144 176.930 176.870 -0.139 0.000 1.179 976 L CA -0.045 54.572 54.840 -0.371 0.000 0.828 976 L CB 0.388 42.005 42.059 -0.736 0.000 1.106 976 L HN 0.221 nan 8.230 nan 0.000 0.467 977 H N 1.446 120.521 119.070 0.009 0.000 2.679 977 H HA 0.563 5.134 4.556 0.025 0.000 0.360 977 H C -0.711 174.750 175.328 0.221 0.000 1.105 977 H CA -1.270 54.838 56.048 0.099 0.000 1.196 977 H CB 1.318 31.096 29.762 0.028 0.000 1.636 977 H HN 0.671 nan 8.280 nan 0.000 0.531 978 A N 3.329 126.312 122.820 0.272 0.000 2.546 978 A HA 0.062 4.396 4.320 0.025 0.000 0.243 978 A C 0.368 178.043 177.584 0.153 0.000 1.063 978 A CA -0.058 52.004 52.037 0.042 0.000 0.757 978 A CB -0.173 18.800 19.000 -0.044 0.000 0.991 978 A HN 0.820 nan 8.150 nan 0.000 0.503 979 E N 1.094 121.364 120.200 0.117 0.000 2.322 979 E HA 0.230 4.595 4.350 0.025 0.000 0.257 979 E C 0.030 176.679 176.600 0.082 0.000 1.155 979 E CA -0.652 55.870 56.400 0.203 0.000 0.936 979 E CB 0.714 30.611 29.700 0.328 0.000 1.130 979 E HN 0.806 nan 8.360 nan 0.000 0.465 980 E N 0.050 120.284 120.200 0.057 0.000 2.398 980 E HA 0.217 4.582 4.350 0.025 0.000 0.263 980 E C 0.358 176.915 176.600 -0.071 0.000 1.046 980 E CA 0.620 57.014 56.400 -0.011 0.000 0.908 980 E CB 0.400 30.087 29.700 -0.023 0.000 0.963 980 E HN 0.657 nan 8.360 nan 0.000 0.431 981 G N 2.383 111.142 108.800 -0.069 0.000 2.598 981 G HA2 -0.227 3.748 3.960 0.025 0.000 0.244 981 G HA3 -0.227 3.748 3.960 0.025 0.000 0.244 981 G C -0.641 174.197 174.900 -0.103 0.000 1.302 981 G CA -0.139 44.903 45.100 -0.097 0.000 0.903 981 G HN 0.650 nan 8.290 nan 0.000 0.575 982 T N 0.048 114.516 114.554 -0.144 0.000 2.928 982 T HA 0.496 4.860 4.350 0.025 0.000 0.296 982 T C -0.847 173.705 174.700 -0.247 0.000 1.000 982 T CA -0.200 61.823 62.100 -0.129 0.000 0.989 982 T CB 1.423 70.291 68.868 0.000 0.000 1.005 982 T HN 0.579 nan 8.240 nan 0.000 0.442 983 W N 3.201 124.405 121.300 -0.160 0.000 2.322 983 W HA 0.601 5.276 4.660 0.025 0.000 0.307 983 W C -0.284 176.101 176.519 -0.224 0.000 1.220 983 W CA -0.664 56.584 57.345 -0.160 0.000 1.210 983 W CB 0.771 30.148 29.460 -0.138 0.000 1.223 983 W HN 0.374 nan 8.180 nan 0.000 0.511 984 L N 5.707 126.925 121.223 -0.008 0.000 2.349 984 L HA 0.504 4.859 4.340 0.025 0.000 0.278 984 L C -1.025 175.738 176.870 -0.178 0.000 0.996 984 L CA -0.531 54.177 54.840 -0.220 0.000 0.825 984 L CB 0.895 42.672 42.059 -0.470 0.000 1.243 984 L HN 0.311 nan 8.230 nan 0.000 0.412 985 N N 6.482 125.070 118.700 -0.187 0.000 2.446 985 N HA 0.437 5.192 4.740 0.025 0.000 0.265 985 N C -1.230 174.130 175.510 -0.250 0.000 0.975 985 N CA -0.206 52.733 53.050 -0.186 0.000 0.928 985 N CB 2.555 40.960 38.487 -0.137 0.000 1.160 985 N HN 0.697 nan 8.380 nan 0.000 0.495 986 I N 1.565 121.945 120.570 -0.318 0.000 2.410 986 I HA 0.296 4.481 4.170 0.025 0.000 0.286 986 I C -1.197 174.731 176.117 -0.315 0.000 1.009 986 I CA -0.621 60.455 61.300 -0.372 0.000 1.111 986 I CB 0.967 38.537 38.000 -0.715 0.000 1.262 986 I HN 0.204 nan 8.210 nan 0.000 0.443 987 D N 5.450 125.702 120.400 -0.247 0.000 2.217 987 D HA 0.305 4.959 4.640 0.025 0.000 0.243 987 D C 0.873 176.867 176.300 -0.509 0.000 1.054 987 D CA -0.216 53.575 54.000 -0.348 0.000 0.838 987 D CB 2.292 42.990 40.800 -0.170 0.000 1.162 987 D HN 0.758 nan 8.370 nan 0.000 0.472 988 G N 1.397 109.547 108.800 -1.084 0.000 2.403 988 G HA2 -0.043 3.932 3.960 0.025 0.000 0.216 988 G HA3 -0.043 3.932 3.960 0.025 0.000 0.216 988 G C 0.128 174.260 174.900 -1.280 0.000 1.154 988 G CA 0.613 44.949 45.100 -1.274 0.000 0.784 988 G HN 0.389 nan 8.290 nan 0.000 0.538 989 F N -2.340 117.405 119.950 -0.341 0.000 2.619 989 F HA 0.594 5.135 4.527 0.024 0.000 0.308 989 F C -0.554 175.146 175.800 -0.167 0.000 1.097 989 F CA -1.127 56.756 58.000 -0.195 0.000 0.953 989 F CB 2.205 41.001 39.000 -0.339 0.000 1.287 989 F HN 0.038 nan 8.300 nan 0.000 0.446 990 H N 1.775 120.844 119.070 -0.001 0.000 2.865 990 H HA 0.520 5.091 4.556 0.025 0.000 0.362 990 H C -0.878 174.472 175.328 0.036 0.000 1.114 990 H CA -0.878 55.147 56.048 -0.038 0.000 1.208 990 H CB 1.862 31.587 29.762 -0.062 0.000 1.727 990 H HN 0.763 nan 8.280 nan 0.000 0.534 991 M N 3.364 122.898 119.600 -0.109 0.000 2.245 991 M HA 0.292 4.787 4.480 0.025 0.000 0.330 991 M C 0.414 176.840 176.300 0.211 0.000 1.098 991 M CA 0.333 55.654 55.300 0.035 0.000 1.172 991 M CB 0.369 32.887 32.600 -0.137 0.000 1.467 991 M HN 0.827 nan 8.290 nan 0.000 0.454 992 G N 2.760 111.655 108.800 0.159 0.000 2.667 992 G HA2 0.309 4.284 3.960 0.025 0.000 0.250 992 G HA3 0.309 4.284 3.960 0.025 0.000 0.250 992 G C 0.598 175.488 174.900 -0.017 0.000 1.212 992 G CA -0.404 44.722 45.100 0.044 0.000 0.874 992 G HN 0.977 nan 8.290 nan 0.000 0.561 993 I N -1.945 118.564 120.570 -0.101 0.000 3.645 993 I HA 0.415 4.599 4.170 0.025 0.000 0.300 993 I C 1.176 177.230 176.117 -0.105 0.000 1.260 993 I CA 0.489 61.691 61.300 -0.164 0.000 1.365 993 I CB -0.520 37.275 38.000 -0.342 0.000 1.077 993 I HN 0.936 nan 8.210 nan 0.000 0.439 994 G N 1.515 110.278 108.800 -0.062 0.000 2.645 994 G HA2 0.032 4.006 3.960 0.025 0.000 0.239 994 G HA3 0.032 4.006 3.960 0.025 0.000 0.239 994 G C 0.555 175.456 174.900 0.002 0.000 1.331 994 G CA 0.106 45.208 45.100 0.002 0.000 0.890 994 G HN 1.351 nan 8.290 nan 0.000 0.572 995 G N -2.457 106.356 108.800 0.022 0.000 2.613 995 G HA2 0.001 3.976 3.960 0.025 0.000 0.199 995 G HA3 0.001 3.976 3.960 0.025 0.000 0.199 995 G C 0.703 175.653 174.900 0.083 0.000 0.991 995 G CA 0.900 46.019 45.100 0.033 0.000 0.756 995 G HN 0.987 nan 8.290 nan 0.000 0.515 996 D N 1.334 121.810 120.400 0.126 0.000 2.172 996 D HA 0.043 4.698 4.640 0.025 0.000 0.196 996 D C 1.075 177.395 176.300 0.034 0.000 0.999 996 D CA 2.173 56.304 54.000 0.220 0.000 0.856 996 D CB 0.094 41.037 40.800 0.238 0.000 0.934 996 D HN 0.796 nan 8.370 nan 0.000 0.453 997 D N -3.259 116.956 120.400 -0.308 0.000 2.664 997 D HA 0.366 5.021 4.640 0.025 0.000 0.292 997 D C -0.780 175.020 176.300 -0.832 0.000 1.214 997 D CA -0.742 52.661 54.000 -0.995 0.000 0.932 997 D CB 0.957 40.617 40.800 -1.900 0.000 1.420 997 D HN -0.295 nan 8.370 nan 0.000 0.471 998 S N -0.739 114.296 115.700 -1.108 0.000 2.624 998 S HA 0.253 4.738 4.470 0.025 0.000 0.246 998 S C -0.662 173.977 174.600 0.066 0.000 1.072 998 S CA -0.686 57.360 58.200 -0.258 0.000 1.045 998 S CB -0.525 62.754 63.200 0.133 0.000 0.851 998 S HN 0.621 nan 8.310 nan 0.000 0.480 999 W N 0.678 121.924 121.300 -0.090 0.000 2.055 999 W HA 0.504 5.178 4.660 0.024 0.000 0.293 999 W C 0.030 176.504 176.519 -0.075 0.000 0.886 999 W CA -0.456 56.839 57.345 -0.084 0.000 1.384 999 W CB -0.520 28.816 29.460 -0.208 0.000 1.068 999 W HN 0.185 nan 8.180 nan 0.000 0.513 1000 S N -0.899 114.701 115.700 -0.166 0.000 2.579 1000 S HA 0.677 5.162 4.470 0.025 0.000 0.272 1000 S C -3.098 171.445 174.600 -0.095 0.000 1.141 1000 S CA -1.721 56.428 58.200 -0.085 0.000 0.843 1000 S CB 1.877 65.056 63.200 -0.035 0.000 1.122 1000 S HN -0.238 nan 8.310 nan 0.000 0.468 1001 P HA 0.192 nan 4.420 nan 0.000 0.264 1001 P C 0.298 177.638 177.300 0.068 0.000 1.193 1001 P CA 0.016 63.123 63.100 0.013 0.000 0.763 1001 P CB 0.694 32.273 31.700 -0.201 0.000 0.810 1002 S N 0.572 116.359 115.700 0.144 0.000 2.847 1002 S HA 0.144 4.629 4.470 0.025 0.000 0.254 1002 S C 0.156 174.850 174.600 0.157 0.000 1.039 1002 S CA -0.321 57.939 58.200 0.100 0.000 1.113 1002 S CB -0.288 62.919 63.200 0.011 0.000 1.092 1002 S HN 0.104 nan 8.310 nan 0.000 0.620 1003 V N 2.784 122.841 119.914 0.239 0.000 2.488 1003 V HA 0.384 4.519 4.120 0.025 0.000 0.277 1003 V C 0.850 177.106 176.094 0.269 0.000 1.046 1003 V CA -0.268 62.158 62.300 0.210 0.000 0.986 1003 V CB 1.073 32.968 31.823 0.120 0.000 0.989 1003 V HN 0.517 nan 8.190 nan 0.000 0.475 1004 S N 3.852 119.720 115.700 0.280 0.000 2.568 1004 S HA 0.274 4.758 4.470 0.025 0.000 0.282 1004 S C 1.550 176.297 174.600 0.244 0.000 1.338 1004 S CA 0.086 58.443 58.200 0.261 0.000 1.045 1004 S CB 1.090 64.474 63.200 0.307 0.000 0.873 1004 S HN 0.999 nan 8.310 nan 0.000 0.516 1005 A N 3.391 126.310 122.820 0.164 0.000 1.948 1005 A HA -0.165 4.169 4.320 0.025 0.000 0.220 1005 A C 2.012 179.632 177.584 0.059 0.000 1.177 1005 A CA 1.935 54.054 52.037 0.136 0.000 0.636 1005 A CB -0.688 18.369 19.000 0.096 0.000 0.815 1005 A HN 0.957 nan 8.150 nan 0.000 0.449 1006 E N -0.922 119.246 120.200 -0.053 0.000 2.409 1006 E HA -0.115 4.250 4.350 0.025 0.000 0.198 1006 E C 0.797 177.147 176.600 -0.418 0.000 1.024 1006 E CA 0.748 56.991 56.400 -0.261 0.000 0.861 1006 E CB -0.429 29.028 29.700 -0.405 0.000 0.788 1006 E HN 0.689 nan 8.360 nan 0.000 0.521 1007 F N 1.140 121.147 119.950 0.095 0.000 2.653 1007 F HA 0.269 4.810 4.527 0.024 0.000 0.304 1007 F C 0.888 176.733 175.800 0.075 0.000 1.092 1007 F CA -0.498 57.559 58.000 0.093 0.000 1.279 1007 F CB 0.556 39.612 39.000 0.092 0.000 1.044 1007 F HN -0.188 nan 8.300 nan 0.000 0.564 1008 Q N 1.206 121.124 119.800 0.196 0.000 2.230 1008 Q HA 0.411 4.765 4.340 0.025 0.000 0.248 1008 Q C -0.223 175.823 176.000 0.077 0.000 0.915 1008 Q CA -0.557 55.342 55.803 0.160 0.000 0.900 1008 Q CB 1.927 30.852 28.738 0.311 0.000 1.229 1008 Q HN 0.243 nan 8.270 nan 0.000 0.439 1009 L N 2.391 123.643 121.223 0.048 0.000 2.399 1009 L HA 0.119 4.474 4.340 0.025 0.000 0.257 1009 L C 0.616 177.460 176.870 -0.044 0.000 1.236 1009 L CA -0.061 54.791 54.840 0.019 0.000 1.144 1009 L CB -0.374 41.587 42.059 -0.162 0.000 1.379 1009 L HN 0.690 nan 8.230 nan 0.000 0.414 1010 S N -1.059 114.523 115.700 -0.197 0.000 2.578 1010 S HA 0.156 4.641 4.470 0.025 0.000 0.231 1010 S C 1.588 176.088 174.600 -0.166 0.000 0.994 1010 S CA 0.172 58.063 58.200 -0.515 0.000 0.956 1010 S CB 0.755 63.531 63.200 -0.706 0.000 0.870 1010 S HN 0.515 nan 8.310 nan 0.000 0.494 1011 A N 1.386 124.148 122.820 -0.096 0.000 2.168 1011 A HA 0.479 4.814 4.320 0.025 0.000 0.215 1011 A C 2.080 179.498 177.584 -0.278 0.000 1.152 1011 A CA 1.092 52.946 52.037 -0.305 0.000 0.716 1011 A CB -1.237 17.366 19.000 -0.663 0.000 0.794 1011 A HN 1.434 nan 8.150 nan 0.000 0.465 1012 G N -1.090 107.644 108.800 -0.109 0.000 2.708 1012 G HA2 -0.308 3.667 3.960 0.025 0.000 0.229 1012 G HA3 -0.308 3.667 3.960 0.025 0.000 0.229 1012 G C 0.483 175.358 174.900 -0.042 0.000 1.236 1012 G CA 0.478 45.568 45.100 -0.016 0.000 0.749 1012 G HN 0.677 nan 8.290 nan 0.000 0.515 1013 R N -0.429 119.929 120.500 -0.237 0.000 2.534 1013 R HA 0.687 5.042 4.340 0.025 0.000 0.301 1013 R C -1.508 174.535 176.300 -0.430 0.000 0.961 1013 R CA -0.575 55.433 56.100 -0.153 0.000 0.871 1013 R CB 1.508 31.760 30.300 -0.080 0.000 1.170 1013 R HN 0.274 nan 8.270 nan 0.000 0.446 1014 Y N 0.349 120.639 120.300 -0.017 0.000 2.477 1014 Y HA 0.334 4.899 4.550 0.024 0.000 0.347 1014 Y C -0.403 175.637 175.900 0.232 0.000 0.981 1014 Y CA -0.830 57.220 58.100 -0.084 0.000 1.033 1014 Y CB 2.190 40.466 38.460 -0.307 0.000 1.245 1014 Y HN 0.587 nan 8.280 nan 0.000 0.455 1015 H N 2.636 121.980 119.070 0.456 0.000 2.717 1015 H HA 0.619 5.190 4.556 0.025 0.000 0.366 1015 H C -1.736 173.991 175.328 0.666 0.000 1.132 1015 H CA -0.965 55.337 56.048 0.424 0.000 1.180 1015 H CB 1.275 31.183 29.762 0.243 0.000 1.678 1015 H HN 0.574 nan 8.280 nan 0.000 0.537 1016 Y N 1.359 121.457 120.300 -0.337 0.000 2.609 1016 Y HA 0.562 5.126 4.550 0.025 0.000 0.336 1016 Y C -1.807 173.899 175.900 -0.323 0.000 1.129 1016 Y CA -1.006 56.971 58.100 -0.205 0.000 1.040 1016 Y CB 1.631 40.062 38.460 -0.049 0.000 1.310 1016 Y HN 0.659 nan 8.280 nan 0.000 0.460 1017 Q N 2.304 122.096 119.800 -0.013 0.000 2.377 1017 Q HA 0.658 5.013 4.340 0.025 0.000 0.279 1017 Q C -2.150 173.931 176.000 0.135 0.000 1.049 1017 Q CA -0.724 55.058 55.803 -0.036 0.000 0.825 1017 Q CB 3.182 31.952 28.738 0.053 0.000 1.401 1017 Q HN 0.969 nan 8.270 nan 0.000 0.404 1018 L N 1.062 122.350 121.223 0.108 0.000 2.415 1018 L HA 0.702 5.057 4.340 0.025 0.000 0.256 1018 L C -0.906 176.078 176.870 0.190 0.000 1.010 1018 L CA -1.089 53.863 54.840 0.187 0.000 0.826 1018 L CB 2.526 44.672 42.059 0.145 0.000 1.405 1018 L HN 0.296 nan 8.230 nan 0.000 0.410 1019 V N 0.529 120.583 119.914 0.233 0.000 2.487 1019 V HA 0.377 4.512 4.120 0.025 0.000 0.298 1019 V C -1.273 174.992 176.094 0.285 0.000 1.028 1019 V CA -0.414 62.028 62.300 0.238 0.000 0.860 1019 V CB 2.197 34.136 31.823 0.192 0.000 0.991 1019 V HN 0.594 nan 8.190 nan 0.000 0.427 1020 W N 7.042 128.411 121.300 0.115 0.000 2.349 1020 W HA 0.694 5.369 4.660 0.025 0.000 0.309 1020 W C -0.207 176.316 176.519 0.007 0.000 1.083 1020 W CA -1.074 56.258 57.345 -0.021 0.000 1.224 1020 W CB 1.321 30.835 29.460 0.090 0.000 1.256 1020 W HN 0.861 nan 8.180 nan 0.000 0.461 1021 C N 4.460 123.991 119.300 0.385 0.000 3.285 1021 C HA 0.681 5.156 4.460 0.025 0.000 0.320 1021 C C -0.637 174.473 174.990 0.201 0.000 1.411 1021 C CA -0.861 58.325 59.018 0.281 0.000 1.429 1021 C CB 1.645 29.494 27.740 0.182 0.000 1.812 1021 C HN 0.699 nan 8.230 nan 0.000 0.454 1022 Q N 1.969 121.844 119.800 0.127 0.000 2.290 1022 Q HA 0.455 4.809 4.340 0.025 0.000 0.259 1022 Q C -0.530 175.474 176.000 0.007 0.000 0.941 1022 Q CA -0.198 55.627 55.803 0.036 0.000 0.912 1022 Q CB 1.142 29.867 28.738 -0.022 0.000 1.244 1022 Q HN 0.826 nan 8.270 nan 0.000 0.441 1023 K N 0.000 120.382 120.400 -0.030 0.000 2.780 1023 K HA 0.000 4.335 4.320 0.025 0.000 0.191 1023 K CA 0.000 56.271 56.287 -0.026 0.000 0.838 1023 K CB 0.000 32.484 32.500 -0.026 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543