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 1dp0_1_D DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND 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 0.000 176.060 176.300 -0.400 0.000 0.893 13 R CA 0.000 55.953 56.100 -0.245 0.000 0.921 13 R CB 0.000 30.156 30.300 -0.239 0.000 0.687 14 R N 1.333 121.506 120.500 -0.545 0.000 2.937 14 R HA 0.173 4.521 4.340 0.014 0.000 0.264 14 R C -0.157 175.589 176.300 -0.923 0.000 1.334 14 R CA -0.401 54.992 56.100 -1.177 0.000 1.516 14 R CB 0.443 30.158 30.300 -0.976 0.000 1.187 14 R HN 0.497 nan 8.270 nan 0.000 0.609 15 D N 1.135 121.177 120.400 -0.597 0.000 2.309 15 D HA -0.171 4.478 4.640 0.014 0.000 0.212 15 D C 1.188 177.380 176.300 -0.180 0.000 0.968 15 D CA 1.081 54.833 54.000 -0.414 0.000 0.882 15 D CB 0.194 40.597 40.800 -0.661 0.000 0.918 15 D HN 0.648 nan 8.370 nan 0.000 0.503 16 W N 1.090 122.389 121.300 -0.001 0.000 3.345 16 W HA 0.245 4.913 4.660 0.014 0.000 0.282 16 W C 0.444 177.047 176.519 0.141 0.000 1.302 16 W CA -0.343 57.107 57.345 0.175 0.000 1.724 16 W CB -0.202 29.414 29.460 0.260 0.000 1.104 16 W HN -0.208 nan 8.180 nan 0.000 0.694 17 E N 1.236 121.322 120.200 -0.189 0.000 3.306 17 E HA 0.056 4.415 4.350 0.014 0.000 0.197 17 E C -0.774 175.674 176.600 -0.253 0.000 0.980 17 E CA -0.223 56.080 56.400 -0.162 0.000 1.259 17 E CB -0.144 29.447 29.700 -0.181 0.000 1.112 17 E HN 0.031 nan 8.360 nan 0.000 0.458 18 N N 0.994 119.583 118.700 -0.186 0.000 2.599 18 N HA 0.136 4.884 4.740 0.014 0.000 0.283 18 N C -2.475 172.898 175.510 -0.228 0.000 1.160 18 N CA -1.877 51.027 53.050 -0.244 0.000 0.869 18 N CB 1.567 39.919 38.487 -0.226 0.000 1.448 18 N HN -0.192 nan 8.380 nan 0.000 0.535 19 P HA 0.134 nan 4.420 nan 0.000 0.242 19 P C 0.965 178.030 177.300 -0.391 0.000 1.197 19 P CA 0.454 63.245 63.100 -0.514 0.000 0.765 19 P CB 0.128 31.081 31.700 -1.245 0.000 0.936 20 G N -0.479 108.139 108.800 -0.303 0.000 2.777 20 G HA2 0.087 4.056 3.960 0.014 0.000 0.211 20 G HA3 0.087 4.056 3.960 0.014 0.000 0.211 20 G C 0.230 175.053 174.900 -0.128 0.000 1.149 20 G CA 0.171 45.142 45.100 -0.216 0.000 0.785 20 G HN 0.184 nan 8.290 nan 0.000 0.536 21 V N 1.911 121.766 119.914 -0.097 0.000 2.304 21 V HA 0.291 4.420 4.120 0.014 0.000 0.278 21 V C 0.841 176.984 176.094 0.083 0.000 1.018 21 V CA 0.093 62.384 62.300 -0.015 0.000 0.814 21 V CB 1.125 32.921 31.823 -0.046 0.000 1.021 21 V HN 0.317 nan 8.190 nan 0.000 0.440 22 T N 0.691 115.294 114.554 0.081 0.000 3.054 22 T HA 0.382 4.740 4.350 0.014 0.000 0.255 22 T C 0.220 174.979 174.700 0.099 0.000 1.035 22 T CA -0.039 62.120 62.100 0.100 0.000 0.941 22 T CB 0.226 69.102 68.868 0.014 0.000 1.026 22 T HN 0.699 nan 8.240 nan 0.000 0.533 23 Q N 0.222 120.129 119.800 0.178 0.000 2.721 23 Q HA 0.655 5.004 4.340 0.014 0.000 0.282 23 Q C -2.244 173.904 176.000 0.246 0.000 0.932 23 Q CA -1.021 54.878 55.803 0.160 0.000 0.816 23 Q CB 0.781 29.530 28.738 0.019 0.000 1.506 23 Q HN 0.214 nan 8.270 nan 0.000 0.399 24 L N 1.775 123.176 121.223 0.296 0.000 2.438 24 L HA 0.629 4.977 4.340 0.014 0.000 0.270 24 L C -0.522 176.481 176.870 0.222 0.000 0.972 24 L CA -0.920 54.090 54.840 0.283 0.000 0.831 24 L CB 1.880 44.222 42.059 0.472 0.000 1.273 24 L HN 0.844 nan 8.230 nan 0.000 0.405 25 N N 0.778 119.573 118.700 0.158 0.000 2.800 25 N HA -0.205 4.543 4.740 0.014 0.000 0.250 25 N C 0.157 175.757 175.510 0.151 0.000 1.078 25 N CA 0.834 53.966 53.050 0.135 0.000 0.804 25 N CB -0.814 37.704 38.487 0.051 0.000 1.135 25 N HN 0.659 nan 8.380 nan 0.000 0.565 26 R N 0.901 121.418 120.500 0.029 0.000 2.441 26 R HA 0.415 4.764 4.340 0.014 0.000 0.284 26 R C 0.508 176.681 176.300 -0.212 0.000 1.070 26 R CA -0.386 55.528 56.100 -0.309 0.000 1.047 26 R CB 0.555 30.651 30.300 -0.340 0.000 1.016 26 R HN 0.120 nan 8.270 nan 0.000 0.477 27 L N 2.930 123.989 121.223 -0.274 0.000 2.453 27 L HA 0.291 4.640 4.340 0.014 0.000 0.261 27 L C 0.686 177.502 176.870 -0.091 0.000 1.179 27 L CA -0.500 54.269 54.840 -0.118 0.000 0.813 27 L CB 0.773 42.790 42.059 -0.070 0.000 1.110 27 L HN 0.777 nan 8.230 nan 0.000 0.466 28 A N 1.380 124.187 122.820 -0.022 0.000 2.466 28 A HA 0.484 4.812 4.320 0.014 0.000 0.238 28 A C 0.287 177.878 177.584 0.012 0.000 1.074 28 A CA 0.093 52.126 52.037 -0.006 0.000 0.774 28 A CB 0.146 19.165 19.000 0.031 0.000 1.015 28 A HN 0.799 nan 8.150 nan 0.000 0.498 29 A N 1.028 123.808 122.820 -0.067 0.000 2.287 29 A HA 0.730 5.059 4.320 0.014 0.000 0.273 29 A C 0.047 177.536 177.584 -0.159 0.000 1.091 29 A CA 0.392 52.308 52.037 -0.202 0.000 0.817 29 A CB 0.055 18.927 19.000 -0.213 0.000 1.069 29 A HN 1.913 nan 8.150 nan 0.000 0.492 30 H N -2.684 116.228 119.070 -0.264 0.000 2.935 30 H HA 0.611 5.176 4.556 0.014 0.000 0.297 30 H C -3.399 171.650 175.328 -0.464 0.000 1.423 30 H CA -1.733 54.101 56.048 -0.355 0.000 1.161 30 H CB 0.107 29.545 29.762 -0.539 0.000 1.841 30 H HN 0.389 nan 8.280 nan 0.000 0.506 31 P HA 0.238 nan 4.420 nan 0.000 0.274 31 P C -2.599 174.559 177.300 -0.238 0.000 1.256 31 P CA -1.535 61.374 63.100 -0.317 0.000 0.795 31 P CB -0.187 31.257 31.700 -0.427 0.000 1.038 32 P HA 0.067 nan 4.420 nan 0.000 0.263 32 P C -0.765 176.755 177.300 0.366 0.000 1.195 32 P CA 1.111 64.258 63.100 0.078 0.000 0.762 32 P CB -0.087 31.695 31.700 0.137 0.000 0.799 33 F N 1.352 121.400 119.950 0.163 0.000 2.538 33 F HA 0.593 5.128 4.527 0.014 0.000 0.325 33 F C 0.920 176.645 175.800 -0.125 0.000 1.066 33 F CA -1.037 57.006 58.000 0.071 0.000 0.946 33 F CB 2.224 41.227 39.000 0.005 0.000 1.199 33 F HN 0.205 nan 8.300 nan 0.000 0.473 34 A N 0.534 123.265 122.820 -0.150 0.000 2.653 34 A HA 0.247 4.576 4.320 0.014 0.000 0.248 34 A C 0.591 177.885 177.584 -0.484 0.000 1.211 34 A CA 0.310 52.012 52.037 -0.559 0.000 0.991 34 A CB -0.039 18.059 19.000 -1.504 0.000 1.252 34 A HN 0.736 nan 8.150 nan 0.000 0.593 35 S N 0.366 115.901 115.700 -0.274 0.000 3.550 35 S HA -0.148 4.331 4.470 0.014 0.000 0.372 35 S C -0.026 174.522 174.600 -0.087 0.000 0.966 35 S CA 0.384 58.474 58.200 -0.183 0.000 1.229 35 S CB -1.495 61.587 63.200 -0.197 0.000 0.917 35 S HN 0.482 nan 8.310 nan 0.000 0.496 36 W N 1.645 122.926 121.300 -0.031 0.000 2.158 36 W HA 0.247 4.915 4.660 0.014 0.000 0.339 36 W C 1.294 177.802 176.519 -0.019 0.000 1.294 36 W CA -0.508 56.832 57.345 -0.009 0.000 1.231 36 W CB 0.314 29.765 29.460 -0.015 0.000 1.143 36 W HN 0.323 nan 8.180 nan 0.000 0.571 37 R N 2.071 122.715 120.500 0.241 0.000 2.577 37 R HA 0.083 4.431 4.340 0.014 0.000 0.344 37 R C -0.081 176.289 176.300 0.117 0.000 1.037 37 R CA -0.131 56.051 56.100 0.137 0.000 1.102 37 R CB -0.186 30.179 30.300 0.108 0.000 1.313 37 R HN 0.348 nan 8.270 nan 0.000 0.561 38 N N 0.078 118.860 118.700 0.135 0.000 2.454 38 N HA 0.115 4.863 4.740 0.014 0.000 0.291 38 N C -0.098 175.394 175.510 -0.031 0.000 1.079 38 N CA -0.013 53.066 53.050 0.049 0.000 0.893 38 N CB 1.811 40.328 38.487 0.051 0.000 1.512 38 N HN -0.259 nan 8.380 nan 0.000 0.497 39 S N 2.326 117.987 115.700 -0.065 0.000 2.399 39 S HA -0.163 4.315 4.470 0.014 0.000 0.231 39 S C 1.382 175.824 174.600 -0.262 0.000 1.022 39 S CA 1.184 59.299 58.200 -0.142 0.000 0.983 39 S CB 0.031 63.175 63.200 -0.093 0.000 0.803 39 S HN 0.753 nan 8.310 nan 0.000 0.480 40 E N 1.496 121.563 120.200 -0.222 0.000 2.152 40 E HA -0.104 4.255 4.350 0.014 0.000 0.192 40 E C 1.832 178.237 176.600 -0.325 0.000 0.983 40 E CA 0.973 57.201 56.400 -0.286 0.000 0.818 40 E CB -0.121 29.466 29.700 -0.189 0.000 0.758 40 E HN 0.259 nan 8.360 nan 0.000 0.467 41 E N 0.197 120.232 120.200 -0.275 0.000 2.106 41 E HA -0.113 4.246 4.350 0.014 0.000 0.192 41 E C 1.959 178.066 176.600 -0.821 0.000 0.984 41 E CA 1.093 57.309 56.400 -0.308 0.000 0.806 41 E CB -0.440 29.234 29.700 -0.044 0.000 0.750 41 E HN 0.386 nan 8.360 nan 0.000 0.458 42 A N 1.517 123.638 122.820 -1.165 0.000 1.898 42 A HA -0.177 4.151 4.320 0.014 0.000 0.216 42 A C 2.233 179.197 177.584 -1.033 0.000 1.181 42 A CA 1.557 52.499 52.037 -1.827 0.000 0.620 42 A CB -0.472 17.930 19.000 -0.997 0.000 0.819 42 A HN 0.133 nan 8.150 nan 0.000 0.442 43 R N -0.116 119.969 120.500 -0.692 0.000 2.091 43 R HA -0.141 4.208 4.340 0.014 0.000 0.238 43 R C 1.981 178.004 176.300 -0.462 0.000 1.136 43 R CA 2.130 57.867 56.100 -0.606 0.000 0.959 43 R CB -0.477 29.330 30.300 -0.822 0.000 0.856 43 R HN 0.621 nan 8.270 nan 0.000 0.437 44 T N -2.770 111.539 114.554 -0.409 0.000 3.129 44 T HA 0.044 4.402 4.350 0.014 0.000 0.251 44 T C 0.320 174.927 174.700 -0.156 0.000 1.117 44 T CA 0.585 62.540 62.100 -0.241 0.000 1.034 44 T CB 0.092 68.850 68.868 -0.184 0.000 0.968 44 T HN 0.379 nan 8.240 nan 0.000 0.526 45 D N 0.496 120.761 120.400 -0.225 0.000 3.041 45 D HA -0.154 4.494 4.640 0.014 0.000 0.220 45 D C 0.152 176.580 176.300 0.213 0.000 1.157 45 D CA 0.462 54.479 54.000 0.028 0.000 0.876 45 D CB -1.128 39.731 40.800 0.099 0.000 1.107 45 D HN 0.583 nan 8.370 nan 0.000 0.422 46 R N -0.021 120.574 120.500 0.158 0.000 2.652 46 R HA 0.504 4.852 4.340 0.014 0.000 0.271 46 R C -2.122 174.453 176.300 0.457 0.000 1.129 46 R CA -1.270 54.973 56.100 0.238 0.000 1.200 46 R CB 0.091 30.468 30.300 0.128 0.000 1.146 46 R HN 0.048 nan 8.270 nan 0.000 0.581 47 P HA -0.025 nan 4.420 nan 0.000 0.269 47 P C -0.875 176.570 177.300 0.243 0.000 1.215 47 P CA 0.222 63.454 63.100 0.220 0.000 0.780 47 P CB 0.766 32.547 31.700 0.135 0.000 0.898 48 S N 1.076 116.790 115.700 0.023 0.000 2.449 48 S HA 0.144 4.623 4.470 0.014 0.000 0.310 48 S C 0.822 175.440 174.600 0.030 0.000 1.096 48 S CA -0.468 57.692 58.200 -0.066 0.000 1.095 48 S CB 0.429 63.332 63.200 -0.494 0.000 1.007 48 S HN 0.307 nan 8.310 nan 0.000 0.474 49 Q N 2.228 122.091 119.800 0.105 0.000 2.500 49 Q HA -0.023 4.326 4.340 0.014 0.000 0.213 49 Q C 1.053 177.204 176.000 0.251 0.000 0.974 49 Q CA 0.748 56.640 55.803 0.148 0.000 0.918 49 Q CB 0.125 28.954 28.738 0.151 0.000 0.980 49 Q HN 0.681 nan 8.270 nan 0.000 0.505 50 Q N -0.182 119.729 119.800 0.185 0.000 2.403 50 Q HA 0.063 4.411 4.340 0.014 0.000 0.203 50 Q C -0.123 175.970 176.000 0.155 0.000 0.932 50 Q CA 0.275 56.216 55.803 0.230 0.000 0.945 50 Q CB 0.418 29.182 28.738 0.043 0.000 1.045 50 Q HN 0.144 nan 8.270 nan 0.000 0.511 51 L N 0.784 122.070 121.223 0.105 0.000 2.372 51 L HA 0.402 4.750 4.340 0.014 0.000 0.273 51 L C -1.124 175.810 176.870 0.107 0.000 0.989 51 L CA -0.297 54.581 54.840 0.064 0.000 0.841 51 L CB 1.268 43.285 42.059 -0.070 0.000 1.225 51 L HN -0.165 nan 8.230 nan 0.000 0.414 52 R N 2.557 123.149 120.500 0.155 0.000 2.711 52 R HA 0.639 4.988 4.340 0.014 0.000 0.284 52 R C -0.718 175.616 176.300 0.058 0.000 0.968 52 R CA -0.789 55.375 56.100 0.107 0.000 0.924 52 R CB 2.131 32.503 30.300 0.121 0.000 1.162 52 R HN 0.664 nan 8.270 nan 0.000 0.465 53 S N 1.858 117.582 115.700 0.041 0.000 2.525 53 S HA 0.289 4.767 4.470 0.014 0.000 0.278 53 S C 0.537 175.160 174.600 0.037 0.000 1.234 53 S CA -0.651 57.567 58.200 0.029 0.000 1.058 53 S CB 0.533 63.756 63.200 0.038 0.000 0.983 53 S HN 0.559 nan 8.310 nan 0.000 0.495 54 L N 3.506 124.756 121.223 0.045 0.000 2.818 54 L HA 0.308 4.656 4.340 0.014 0.000 0.243 54 L C 0.186 177.235 176.870 0.298 0.000 1.185 54 L CA -0.420 54.486 54.840 0.110 0.000 0.988 54 L CB -0.422 41.684 42.059 0.078 0.000 1.292 54 L HN 0.508 nan 8.230 nan 0.000 0.519 55 N N 1.263 120.073 118.700 0.184 0.000 2.453 55 N HA 0.483 5.231 4.740 0.014 0.000 0.253 55 N C 0.669 176.319 175.510 0.232 0.000 1.252 55 N CA 1.036 54.197 53.050 0.184 0.000 0.917 55 N CB 1.188 39.717 38.487 0.069 0.000 1.117 55 N HN 0.304 nan 8.380 nan 0.000 0.442 56 G N 0.294 109.247 108.800 0.255 0.000 2.247 56 G HA2 -0.084 3.884 3.960 0.014 0.000 0.229 56 G HA3 -0.084 3.884 3.960 0.014 0.000 0.229 56 G C -1.535 173.576 174.900 0.350 0.000 1.345 56 G CA -0.792 44.447 45.100 0.233 0.000 1.100 56 G HN 0.469 nan 8.290 nan 0.000 0.473 57 E N 0.168 120.542 120.200 0.291 0.000 2.194 57 E HA 0.446 4.805 4.350 0.014 0.000 0.284 57 E C -0.922 175.928 176.600 0.418 0.000 1.035 57 E CA -0.144 56.446 56.400 0.317 0.000 0.836 57 E CB 1.003 30.806 29.700 0.172 0.000 1.070 57 E HN 0.345 nan 8.360 nan 0.000 0.401 58 W N 1.705 123.102 121.300 0.162 0.000 2.804 58 W HA 0.401 5.070 4.660 0.014 0.000 0.352 58 W C 0.245 176.898 176.519 0.225 0.000 1.153 58 W CA -0.717 56.756 57.345 0.213 0.000 1.119 58 W CB 0.754 30.399 29.460 0.309 0.000 1.448 58 W HN 0.178 nan 8.180 nan 0.000 0.600 59 R N 1.389 122.182 120.500 0.489 0.000 2.532 59 R HA 0.590 4.938 4.340 0.014 0.000 0.295 59 R C -1.502 175.059 176.300 0.434 0.000 0.968 59 R CA -0.898 55.423 56.100 0.367 0.000 0.916 59 R CB 1.382 31.838 30.300 0.261 0.000 1.124 59 R HN 0.470 nan 8.270 nan 0.000 0.463 60 F N 0.413 120.407 119.950 0.075 0.000 2.591 60 F HA 0.656 5.192 4.527 0.014 0.000 0.309 60 F C -1.542 174.093 175.800 -0.275 0.000 1.098 60 F CA -0.638 57.262 58.000 -0.166 0.000 0.937 60 F CB 2.043 40.846 39.000 -0.328 0.000 1.250 60 F HN 0.618 nan 8.300 nan 0.000 0.447 61 A N 4.263 126.275 122.820 -1.348 0.000 2.422 61 A HA 0.580 4.909 4.320 0.014 0.000 0.302 61 A C -2.410 174.145 177.584 -1.714 0.000 1.041 61 A CA -0.532 50.798 52.037 -1.178 0.000 0.708 61 A CB 0.758 19.322 19.000 -0.727 0.000 1.257 61 A HN 0.953 nan 8.150 nan 0.000 0.414 62 W N 2.623 123.017 121.300 -1.510 0.000 2.469 62 W HA 0.744 5.412 4.660 0.014 0.000 0.320 62 W C -1.768 174.071 176.519 -1.134 0.000 1.086 62 W CA -0.356 56.261 57.345 -1.213 0.000 1.211 62 W CB 1.018 30.047 29.460 -0.717 0.000 1.298 62 W HN 0.503 nan 8.180 nan 0.000 0.525 63 F N 6.218 125.449 119.950 -1.199 0.000 2.588 63 F HA 0.375 4.911 4.527 0.014 0.000 0.314 63 F C -1.231 173.673 175.800 -1.493 0.000 1.069 63 F CA -2.137 55.290 58.000 -0.955 0.000 0.931 63 F CB 1.969 40.574 39.000 -0.659 0.000 1.260 63 F HN 0.218 nan 8.300 nan 0.000 0.465 64 P HA 0.097 nan 4.420 nan 0.000 0.225 64 P C -0.355 176.821 177.300 -0.207 0.000 1.156 64 P CA 0.877 63.742 63.100 -0.391 0.000 0.787 64 P CB 0.697 32.437 31.700 0.067 0.000 0.802 65 A N -0.719 121.989 122.820 -0.188 0.000 2.608 65 A HA 0.530 4.859 4.320 0.014 0.000 0.292 65 A C -2.465 175.013 177.584 -0.177 0.000 1.066 65 A CA -1.004 50.967 52.037 -0.110 0.000 0.676 65 A CB 0.497 19.496 19.000 -0.001 0.000 1.277 65 A HN -0.288 nan 8.150 nan 0.000 0.413 66 P HA -0.061 nan 4.420 nan 0.000 0.221 66 P C 0.676 177.889 177.300 -0.145 0.000 1.150 66 P CA 1.334 64.307 63.100 -0.212 0.000 0.800 66 P CB 0.233 31.790 31.700 -0.238 0.000 0.787 67 E N 0.251 120.424 120.200 -0.045 0.000 2.333 67 E HA -0.066 4.292 4.350 0.014 0.000 0.198 67 E C 1.943 178.466 176.600 -0.129 0.000 1.007 67 E CA 1.184 57.561 56.400 -0.039 0.000 0.845 67 E CB -0.929 28.782 29.700 0.018 0.000 0.766 67 E HN 0.245 nan 8.360 nan 0.000 0.507 68 A N 0.275 122.973 122.820 -0.203 0.000 2.251 68 A HA 0.116 4.444 4.320 0.014 0.000 0.209 68 A C 0.611 177.811 177.584 -0.640 0.000 1.187 68 A CA -0.172 51.711 52.037 -0.256 0.000 0.823 68 A CB 0.304 19.248 19.000 -0.094 0.000 0.846 68 A HN 0.035 nan 8.150 nan 0.000 0.486 69 V N 3.137 122.572 119.914 -0.798 0.000 2.455 69 V HA 0.202 4.330 4.120 0.014 0.000 0.273 69 V C -2.203 173.561 176.094 -0.550 0.000 1.045 69 V CA -1.434 60.190 62.300 -1.126 0.000 0.976 69 V CB 0.681 31.962 31.823 -0.904 0.000 0.993 69 V HN 0.303 nan 8.190 nan 0.000 0.475 70 P HA 0.258 nan 4.420 nan 0.000 0.276 70 P C 0.359 177.610 177.300 -0.083 0.000 1.230 70 P CA -0.374 62.620 63.100 -0.176 0.000 0.776 70 P CB 1.226 32.874 31.700 -0.087 0.000 0.888 71 E N 1.230 121.388 120.200 -0.070 0.000 2.209 71 E HA -0.172 4.186 4.350 0.014 0.000 0.196 71 E C 1.897 178.469 176.600 -0.048 0.000 0.993 71 E CA 1.693 58.055 56.400 -0.063 0.000 0.819 71 E CB -0.690 28.973 29.700 -0.061 0.000 0.745 71 E HN 0.560 nan 8.360 nan 0.000 0.477 72 S N -0.532 115.160 115.700 -0.014 0.000 2.419 72 S HA -0.225 4.254 4.470 0.014 0.000 0.235 72 S C 1.874 176.481 174.600 0.011 0.000 1.019 72 S CA 0.978 59.176 58.200 -0.004 0.000 0.982 72 S CB -0.789 62.421 63.200 0.017 0.000 0.789 72 S HN 0.566 nan 8.310 nan 0.000 0.490 73 W N 2.246 123.457 121.300 -0.149 0.000 2.364 73 W HA -0.004 4.664 4.660 0.014 0.000 0.281 73 W C 1.615 178.028 176.519 -0.177 0.000 1.219 73 W CA 1.026 58.284 57.345 -0.145 0.000 1.220 73 W CB -0.367 28.989 29.460 -0.173 0.000 1.127 73 W HN 0.299 nan 8.180 nan 0.000 0.556 74 L N 0.111 121.077 121.223 -0.428 0.000 2.093 74 L HA -0.169 4.179 4.340 0.014 0.000 0.208 74 L C 2.356 178.986 176.870 -0.400 0.000 1.085 74 L CA 1.871 56.320 54.840 -0.650 0.000 0.755 74 L CB -0.774 40.940 42.059 -0.575 0.000 0.904 74 L HN -0.044 nan 8.230 nan 0.000 0.435 75 E N -0.890 119.172 120.200 -0.232 0.000 2.166 75 E HA -0.029 4.329 4.350 0.014 0.000 0.192 75 E C 0.307 176.835 176.600 -0.119 0.000 0.967 75 E CA 0.547 56.866 56.400 -0.135 0.000 0.840 75 E CB 0.501 30.155 29.700 -0.077 0.000 0.795 75 E HN 0.574 nan 8.360 nan 0.000 0.470 76 C N -1.004 118.232 119.300 -0.107 0.000 3.239 76 C HA 0.555 5.024 4.460 0.014 0.000 0.317 76 C C -0.411 174.570 174.990 -0.014 0.000 1.310 76 C CA -1.695 57.286 59.018 -0.063 0.000 1.371 76 C CB 0.751 28.474 27.740 -0.029 0.000 1.714 76 C HN 0.224 nan 8.230 nan 0.000 0.473 77 D N 0.628 121.035 120.400 0.013 0.000 2.571 77 D HA 0.238 4.887 4.640 0.014 0.000 0.231 77 D C -0.205 176.167 176.300 0.119 0.000 1.133 77 D CA 0.495 54.546 54.000 0.085 0.000 0.862 77 D CB 0.482 41.322 40.800 0.067 0.000 1.179 77 D HN 0.582 nan 8.370 nan 0.000 0.474 78 L N 5.792 127.127 121.223 0.186 0.000 2.319 78 L HA 0.238 4.586 4.340 0.014 0.000 0.280 78 L C -1.227 175.698 176.870 0.091 0.000 1.099 78 L CA -1.510 53.417 54.840 0.144 0.000 0.828 78 L CB 1.201 43.349 42.059 0.149 0.000 1.150 78 L HN 0.521 nan 8.230 nan 0.000 0.442 79 P HA -0.126 nan 4.420 nan 0.000 0.219 79 P C 0.650 177.974 177.300 0.040 0.000 1.150 79 P CA 0.975 64.104 63.100 0.048 0.000 0.814 79 P CB 0.241 31.963 31.700 0.037 0.000 0.787 80 E N -0.258 119.961 120.200 0.032 0.000 2.511 80 E HA 0.157 4.515 4.350 0.014 0.000 0.196 80 E C 1.030 177.629 176.600 -0.002 0.000 1.066 80 E CA 0.099 56.505 56.400 0.009 0.000 0.871 80 E CB -0.735 28.956 29.700 -0.015 0.000 0.863 80 E HN 0.213 nan 8.360 nan 0.000 0.520 81 A N 0.960 123.787 122.820 0.013 0.000 2.327 81 A HA 0.237 4.565 4.320 0.014 0.000 0.255 81 A C -0.033 177.590 177.584 0.065 0.000 1.099 81 A CA -0.401 51.637 52.037 0.001 0.000 0.801 81 A CB 0.402 19.430 19.000 0.047 0.000 1.062 81 A HN -0.051 nan 8.150 nan 0.000 0.496 82 D N -0.582 119.887 120.400 0.114 0.000 2.340 82 D HA 0.512 5.161 4.640 0.014 0.000 0.243 82 D C -0.701 175.709 176.300 0.184 0.000 0.988 82 D CA 0.032 54.126 54.000 0.158 0.000 0.959 82 D CB 1.483 42.435 40.800 0.252 0.000 1.226 82 D HN 0.368 nan 8.370 nan 0.000 0.509 83 T N 0.625 115.270 114.554 0.152 0.000 2.744 83 T HA 0.489 4.847 4.350 0.014 0.000 0.291 83 T C 0.077 174.864 174.700 0.145 0.000 0.957 83 T CA -0.528 61.670 62.100 0.163 0.000 1.002 83 T CB 0.526 69.465 68.868 0.119 0.000 0.919 83 T HN 0.252 nan 8.240 nan 0.000 0.468 84 V N 1.575 121.608 119.914 0.199 0.000 3.040 84 V HA 0.795 4.924 4.120 0.014 0.000 0.312 84 V C -0.292 175.930 176.094 0.214 0.000 1.115 84 V CA -1.021 61.357 62.300 0.130 0.000 0.998 84 V CB 1.740 33.638 31.823 0.126 0.000 1.042 84 V HN 0.502 nan 8.190 nan 0.000 0.433 85 V N 2.546 122.563 119.914 0.172 0.000 2.583 85 V HA 0.488 4.617 4.120 0.014 0.000 0.287 85 V C 0.092 176.283 176.094 0.160 0.000 1.051 85 V CA -0.050 62.356 62.300 0.177 0.000 1.010 85 V CB 1.377 33.270 31.823 0.116 0.000 0.988 85 V HN 0.764 nan 8.190 nan 0.000 0.478 86 V N 7.033 126.972 119.914 0.042 0.000 2.656 86 V HA 0.467 4.595 4.120 0.014 0.000 0.307 86 V C -2.288 173.716 176.094 -0.149 0.000 1.051 86 V CA -1.714 60.470 62.300 -0.193 0.000 0.893 86 V CB 2.537 33.906 31.823 -0.756 0.000 0.999 86 V HN 0.764 nan 8.190 nan 0.000 0.426 87 P HA 0.453 nan 4.420 nan 0.000 0.277 87 P C -0.895 176.334 177.300 -0.118 0.000 1.240 87 P CA -0.145 62.843 63.100 -0.187 0.000 0.798 87 P CB 1.343 32.942 31.700 -0.169 0.000 0.979 88 S N 0.497 116.129 115.700 -0.114 0.000 2.587 88 S HA 0.431 4.910 4.470 0.014 0.000 0.269 88 S C -1.194 173.319 174.600 -0.144 0.000 1.154 88 S CA -1.018 57.089 58.200 -0.155 0.000 0.824 88 S CB 0.630 63.658 63.200 -0.286 0.000 1.118 88 S HN 0.340 nan 8.310 nan 0.000 0.462 89 N N 0.738 119.296 118.700 -0.237 0.000 2.400 89 N HA 0.454 5.202 4.740 0.014 0.000 0.288 89 N C 0.533 175.874 175.510 -0.282 0.000 1.024 89 N CA -0.839 52.054 53.050 -0.263 0.000 0.894 89 N CB 0.755 39.060 38.487 -0.304 0.000 1.173 89 N HN 0.873 nan 8.380 nan 0.000 0.487 90 W N 2.257 123.434 121.300 -0.205 0.000 2.392 90 W HA -0.064 4.605 4.660 0.015 0.000 0.279 90 W C 1.026 177.534 176.519 -0.018 0.000 1.225 90 W CA 0.711 57.949 57.345 -0.178 0.000 1.233 90 W CB -0.370 28.998 29.460 -0.154 0.000 1.122 90 W HN 0.523 nan 8.180 nan 0.000 0.561 91 Q N 0.492 120.282 119.800 -0.017 0.000 2.226 91 Q HA -0.121 4.228 4.340 0.014 0.000 0.204 91 Q C 2.171 178.121 176.000 -0.085 0.000 0.975 91 Q CA 1.866 57.651 55.803 -0.030 0.000 0.866 91 Q CB -0.538 28.058 28.738 -0.237 0.000 0.915 91 Q HN 0.275 nan 8.270 nan 0.000 0.440 92 M N -0.954 118.557 119.600 -0.149 0.000 2.476 92 M HA -0.054 4.435 4.480 0.014 0.000 0.262 92 M C 0.761 177.105 176.300 0.074 0.000 1.079 92 M CA 1.378 56.609 55.300 -0.114 0.000 1.104 92 M CB -0.553 31.960 32.600 -0.144 0.000 1.409 92 M HN 0.379 nan 8.290 nan 0.000 0.467 93 H N -0.752 118.340 119.070 0.037 0.000 2.551 93 H HA 0.255 4.820 4.556 0.014 0.000 0.271 93 H C 1.272 176.502 175.328 -0.163 0.000 0.984 93 H CA 0.125 56.178 56.048 0.009 0.000 1.164 93 H CB 0.405 30.280 29.762 0.189 0.000 1.437 93 H HN 0.565 nan 8.280 nan 0.000 0.550 94 G N 0.538 109.347 108.800 0.014 0.000 2.159 94 G HA2 -0.362 3.606 3.960 0.014 0.000 0.256 94 G HA3 -0.362 3.606 3.960 0.014 0.000 0.256 94 G C 0.385 175.153 174.900 -0.220 0.000 0.977 94 G CA 0.356 45.386 45.100 -0.117 0.000 0.652 94 G HN 0.474 nan 8.290 nan 0.000 0.531 95 Y N 1.561 121.872 120.300 0.018 0.000 2.314 95 Y HA 0.263 4.821 4.550 0.014 0.000 0.293 95 Y C 1.688 177.341 175.900 -0.411 0.000 1.129 95 Y CA 1.534 59.516 58.100 -0.197 0.000 1.201 95 Y CB 0.223 38.630 38.460 -0.088 0.000 0.999 95 Y HN 0.646 nan 8.280 nan 0.000 0.541 96 D N -1.857 118.599 120.400 0.093 0.000 2.677 96 D HA 0.510 5.159 4.640 0.014 0.000 0.298 96 D C -1.204 175.171 176.300 0.125 0.000 1.250 96 D CA -0.917 53.133 54.000 0.085 0.000 0.888 96 D CB 0.790 41.759 40.800 0.280 0.000 1.397 96 D HN -0.064 nan 8.370 nan 0.000 0.461 97 A N -0.036 122.868 122.820 0.142 0.000 2.310 97 A HA 0.710 5.038 4.320 0.014 0.000 0.299 97 A C -2.353 175.253 177.584 0.036 0.000 1.147 97 A CA -1.261 50.832 52.037 0.094 0.000 0.818 97 A CB 0.237 19.359 19.000 0.202 0.000 1.096 97 A HN 0.548 nan 8.150 nan 0.000 0.495 98 P HA 0.411 nan 4.420 nan 0.000 0.275 98 P C -0.895 176.567 177.300 0.270 0.000 1.228 98 P CA 0.107 63.142 63.100 -0.108 0.000 0.786 98 P CB 0.818 32.175 31.700 -0.572 0.000 0.927 99 I N 2.545 123.374 120.570 0.431 0.000 2.433 99 I HA 0.246 4.424 4.170 0.014 0.000 0.292 99 I C -0.502 175.826 176.117 0.352 0.000 1.001 99 I CA -0.996 60.561 61.300 0.429 0.000 1.119 99 I CB 1.639 39.821 38.000 0.304 0.000 1.289 99 I HN 0.305 nan 8.210 nan 0.000 0.438 100 Y N 6.252 126.507 120.300 -0.076 0.000 2.491 100 Y HA 0.478 5.036 4.550 0.014 0.000 0.334 100 Y C -0.295 175.447 175.900 -0.264 0.000 0.969 100 Y CA -0.480 57.285 58.100 -0.557 0.000 1.241 100 Y CB 1.055 38.651 38.460 -1.439 0.000 1.105 100 Y HN 0.517 nan 8.280 nan 0.000 0.503 101 T N 5.080 119.132 114.554 -0.837 0.000 2.887 101 T HA 0.274 4.633 4.350 0.014 0.000 0.288 101 T C 0.194 174.401 174.700 -0.823 0.000 1.021 101 T CA -0.561 61.073 62.100 -0.777 0.000 1.000 101 T CB 1.157 69.804 68.868 -0.369 0.000 1.034 101 T HN 0.767 nan 8.240 nan 0.000 0.467 102 N N 2.522 120.787 118.700 -0.724 0.000 2.349 102 N HA 0.073 4.821 4.740 0.014 0.000 0.202 102 N C 1.565 176.803 175.510 -0.454 0.000 1.041 102 N CA 1.277 54.035 53.050 -0.488 0.000 0.970 102 N CB -0.532 37.684 38.487 -0.452 0.000 1.173 102 N HN 0.398 nan 8.380 nan 0.000 0.493 103 V N 0.637 120.217 119.914 -0.557 0.000 2.436 103 V HA 0.103 4.231 4.120 0.014 0.000 0.240 103 V C 0.399 176.175 176.094 -0.529 0.000 1.040 103 V CA 0.848 62.740 62.300 -0.679 0.000 1.052 103 V CB -0.720 30.591 31.823 -0.853 0.000 0.707 103 V HN 0.314 nan 8.190 nan 0.000 0.469 104 T N 1.126 115.436 114.554 -0.408 0.000 2.871 104 T HA 0.094 4.453 4.350 0.014 0.000 0.296 104 T C -0.334 174.219 174.700 -0.245 0.000 0.998 104 T CA 0.319 62.255 62.100 -0.273 0.000 1.162 104 T CB -0.265 68.479 68.868 -0.207 0.000 0.947 104 T HN 0.176 nan 8.240 nan 0.000 0.536 105 Y N 4.612 124.811 120.300 -0.170 0.000 2.550 105 Y HA 0.118 4.677 4.550 0.014 0.000 0.343 105 Y C -0.821 174.949 175.900 -0.216 0.000 1.245 105 Y CA -1.623 56.367 58.100 -0.183 0.000 1.462 105 Y CB 0.433 38.778 38.460 -0.191 0.000 1.340 105 Y HN 0.510 nan 8.280 nan 0.000 0.604 106 P HA 0.023 nan 4.420 nan 0.000 0.245 106 P C -0.418 176.657 177.300 -0.374 0.000 1.212 106 P CA 0.989 63.975 63.100 -0.189 0.000 0.774 106 P CB -0.014 31.606 31.700 -0.133 0.000 0.999 107 I N -5.487 114.856 120.570 -0.378 0.000 3.002 107 I HA 0.498 4.676 4.170 0.014 0.000 0.310 107 I C -0.568 175.420 176.117 -0.215 0.000 1.087 107 I CA -1.242 59.804 61.300 -0.424 0.000 1.017 107 I CB 1.717 39.329 38.000 -0.646 0.000 1.226 107 I HN -0.477 nan 8.210 nan 0.000 0.443 108 T N 2.930 117.396 114.554 -0.148 0.000 2.908 108 T HA 0.118 4.477 4.350 0.014 0.000 0.301 108 T C 0.210 174.892 174.700 -0.031 0.000 1.019 108 T CA -0.140 61.926 62.100 -0.057 0.000 1.152 108 T CB 0.360 69.218 68.868 -0.017 0.000 0.966 108 T HN 0.376 nan 8.240 nan 0.000 0.540 109 V N 5.316 125.226 119.914 -0.007 0.000 2.381 109 V HA 0.209 4.337 4.120 0.014 0.000 0.257 109 V C 0.729 176.870 176.094 0.078 0.000 1.057 109 V CA -0.141 62.171 62.300 0.021 0.000 1.013 109 V CB -0.268 31.556 31.823 0.001 0.000 1.069 109 V HN 0.855 nan 8.190 nan 0.000 0.484 110 N N 5.939 124.747 118.700 0.180 0.000 2.679 110 N HA 0.242 4.991 4.740 0.014 0.000 0.240 110 N C -2.915 172.676 175.510 0.135 0.000 1.537 110 N CA -1.197 51.946 53.050 0.155 0.000 0.793 110 N CB 1.435 40.045 38.487 0.205 0.000 1.391 110 N HN 0.275 nan 8.380 nan 0.000 0.524 111 P HA 0.174 nan 4.420 nan 0.000 0.266 111 P C -2.220 174.887 177.300 -0.322 0.000 1.195 111 P CA -0.631 62.082 63.100 -0.646 0.000 0.768 111 P CB 0.569 31.764 31.700 -0.841 0.000 0.838 112 P HA 0.216 nan 4.420 nan 0.000 0.266 112 P C -0.418 176.752 177.300 -0.216 0.000 1.561 112 P CA -0.303 62.571 63.100 -0.376 0.000 1.089 112 P CB 0.037 31.490 31.700 -0.412 0.000 1.534 113 F N 1.049 121.102 119.950 0.172 0.000 2.380 113 F HA 0.320 4.855 4.527 0.014 0.000 0.325 113 F C 1.395 177.367 175.800 0.286 0.000 1.136 113 F CA -0.574 57.542 58.000 0.193 0.000 1.171 113 F CB 0.677 39.738 39.000 0.102 0.000 1.230 113 F HN -0.198 nan 8.300 nan 0.000 0.554 114 V N -1.418 118.767 119.914 0.451 0.000 3.158 114 V HA 0.702 4.830 4.120 0.014 0.000 0.311 114 V C -2.830 173.427 176.094 0.273 0.000 1.181 114 V CA -2.910 59.580 62.300 0.315 0.000 1.054 114 V CB 1.392 33.450 31.823 0.392 0.000 1.085 114 V HN 0.471 nan 8.190 nan 0.000 0.446 115 P HA 0.208 nan 4.420 nan 0.000 0.269 115 P C 0.999 178.438 177.300 0.232 0.000 1.209 115 P CA 0.521 63.716 63.100 0.158 0.000 0.776 115 P CB 0.561 32.319 31.700 0.095 0.000 0.876 116 T N -1.568 113.093 114.554 0.179 0.000 2.951 116 T HA -0.080 4.279 4.350 0.014 0.000 0.268 116 T C 0.548 175.358 174.700 0.183 0.000 1.073 116 T CA 0.782 62.995 62.100 0.189 0.000 1.134 116 T CB -0.512 68.435 68.868 0.132 0.000 0.884 116 T HN 0.384 nan 8.240 nan 0.000 0.479 117 E N 2.557 122.863 120.200 0.177 0.000 1.932 117 E HA 0.245 4.603 4.350 0.014 0.000 0.275 117 E C -0.734 176.021 176.600 0.259 0.000 1.159 117 E CA -0.378 56.133 56.400 0.184 0.000 0.905 117 E CB 0.146 29.960 29.700 0.190 0.000 1.059 117 E HN 0.222 nan 8.360 nan 0.000 0.400 118 N N 4.595 123.422 118.700 0.211 0.000 2.623 118 N HA 0.242 4.990 4.740 0.014 0.000 0.256 118 N C -2.858 172.684 175.510 0.054 0.000 1.045 118 N CA -2.489 50.718 53.050 0.262 0.000 0.863 118 N CB 1.138 39.760 38.487 0.225 0.000 1.182 118 N HN 0.051 nan 8.380 nan 0.000 0.523 119 P HA 0.003 nan 4.420 nan 0.000 0.260 119 P C -0.831 176.363 177.300 -0.177 0.000 1.172 119 P CA 0.577 63.610 63.100 -0.112 0.000 0.760 119 P CB 0.420 32.356 31.700 0.394 0.000 0.773 120 T N 2.801 116.982 114.554 -0.621 0.000 2.824 120 T HA 0.569 4.928 4.350 0.014 0.000 0.282 120 T C 0.243 174.399 174.700 -0.906 0.000 0.993 120 T CA -0.566 61.232 62.100 -0.504 0.000 0.967 120 T CB 1.590 70.211 68.868 -0.413 0.000 0.960 120 T HN 0.326 nan 8.240 nan 0.000 0.441 121 G N 1.097 109.446 108.800 -0.753 0.000 2.415 121 G HA2 0.478 4.447 3.960 0.014 0.000 0.317 121 G HA3 0.478 4.447 3.960 0.014 0.000 0.317 121 G C -0.291 174.378 174.900 -0.385 0.000 1.152 121 G CA -0.346 44.239 45.100 -0.859 0.000 0.956 121 G HN 0.866 nan 8.290 nan 0.000 0.458 122 C N 3.289 122.099 119.300 -0.816 0.000 2.223 122 C HA 0.497 4.966 4.460 0.014 0.000 0.324 122 C C -0.526 174.406 174.990 -0.096 0.000 1.196 122 C CA -0.841 57.834 59.018 -0.572 0.000 1.628 122 C CB -1.648 25.321 27.740 -1.285 0.000 2.229 122 C HN 0.642 nan 8.230 nan 0.000 0.486 123 Y N 1.958 122.544 120.300 0.477 0.000 2.446 123 Y HA 0.668 5.227 4.550 0.014 0.000 0.338 123 Y C 0.725 177.109 175.900 0.806 0.000 1.055 123 Y CA -0.113 58.381 58.100 0.657 0.000 1.101 123 Y CB 1.703 40.508 38.460 0.574 0.000 1.221 123 Y HN 0.680 nan 8.280 nan 0.000 0.460 124 S N 2.181 118.410 115.700 0.883 0.000 2.570 124 S HA 0.828 5.306 4.470 0.014 0.000 0.270 124 S C -2.036 172.664 174.600 0.167 0.000 1.149 124 S CA -0.787 57.709 58.200 0.494 0.000 0.837 124 S CB 2.187 65.551 63.200 0.274 0.000 1.124 124 S HN 0.627 nan 8.310 nan 0.000 0.465 125 L N 0.669 121.804 121.223 -0.146 0.000 2.513 125 L HA 0.710 5.058 4.340 0.014 0.000 0.261 125 L C -1.018 175.778 176.870 -0.124 0.000 0.945 125 L CA 0.130 54.719 54.840 -0.418 0.000 0.848 125 L CB 2.202 43.473 42.059 -1.313 0.000 1.334 125 L HN 0.927 nan 8.230 nan 0.000 0.407 126 T N 5.084 119.592 114.554 -0.078 0.000 2.799 126 T HA 0.758 5.117 4.350 0.014 0.000 0.286 126 T C -0.772 173.960 174.700 0.054 0.000 0.973 126 T CA 0.079 62.171 62.100 -0.013 0.000 1.035 126 T CB 0.376 69.215 68.868 -0.049 0.000 0.932 126 T HN 0.483 nan 8.240 nan 0.000 0.469 127 F N 1.216 121.091 119.950 -0.125 0.000 2.711 127 F HA 0.802 5.338 4.527 0.014 0.000 0.313 127 F C -0.993 174.758 175.800 -0.083 0.000 1.141 127 F CA -1.444 56.487 58.000 -0.115 0.000 0.941 127 F CB 1.341 40.264 39.000 -0.128 0.000 1.349 127 F HN 0.523 nan 8.300 nan 0.000 0.464 128 N N -0.133 118.485 118.700 -0.136 0.000 2.697 128 N HA 0.738 5.487 4.740 0.014 0.000 0.272 128 N C -1.521 173.945 175.510 -0.073 0.000 1.381 128 N CA -0.565 52.341 53.050 -0.241 0.000 0.797 128 N CB 2.036 40.397 38.487 -0.211 0.000 1.523 128 N HN 0.903 nan 8.380 nan 0.000 0.518 129 V N -4.090 115.746 119.914 -0.130 0.000 3.074 129 V HA 0.565 4.693 4.120 0.014 0.000 0.314 129 V C -0.334 175.548 176.094 -0.353 0.000 1.117 129 V CA -1.079 61.076 62.300 -0.241 0.000 1.014 129 V CB 1.734 33.540 31.823 -0.027 0.000 1.057 129 V HN 0.861 nan 8.190 nan 0.000 0.438 130 D N 1.068 121.060 120.400 -0.679 0.000 2.472 130 D HA -0.053 4.596 4.640 0.014 0.000 0.237 130 D C 0.994 177.136 176.300 -0.263 0.000 1.141 130 D CA 0.492 54.184 54.000 -0.513 0.000 0.875 130 D CB 1.687 42.017 40.800 -0.783 0.000 1.192 130 D HN 0.915 nan 8.370 nan 0.000 0.450 131 E N 2.114 122.231 120.200 -0.138 0.000 2.130 131 E HA -0.236 4.123 4.350 0.014 0.000 0.196 131 E C 1.823 178.434 176.600 0.018 0.000 0.998 131 E CA 2.173 58.545 56.400 -0.045 0.000 0.806 131 E CB -0.371 29.309 29.700 -0.032 0.000 0.738 131 E HN 0.466 nan 8.360 nan 0.000 0.459 132 S N -1.003 114.718 115.700 0.035 0.000 2.442 132 S HA -0.135 4.344 4.470 0.014 0.000 0.236 132 S C 1.641 176.369 174.600 0.214 0.000 1.007 132 S CA 0.891 59.172 58.200 0.136 0.000 0.965 132 S CB -0.764 62.540 63.200 0.173 0.000 0.773 132 S HN 0.392 nan 8.310 nan 0.000 0.504 133 W N 1.639 122.804 121.300 -0.226 0.000 2.467 133 W HA 0.373 5.042 4.660 0.014 0.000 0.275 133 W C 1.892 178.362 176.519 -0.082 0.000 1.239 133 W CA -0.531 56.603 57.345 -0.353 0.000 1.266 133 W CB -0.883 28.322 29.460 -0.425 0.000 1.112 133 W HN 0.324 nan 8.180 nan 0.000 0.576 134 L N -0.285 121.042 121.223 0.175 0.000 2.341 134 L HA -0.083 4.266 4.340 0.014 0.000 0.214 134 L C 2.312 179.246 176.870 0.107 0.000 1.115 134 L CA 0.830 55.743 54.840 0.122 0.000 0.820 134 L CB -0.664 41.436 42.059 0.068 0.000 0.944 134 L HN 0.002 nan 8.230 nan 0.000 0.452 135 Q N -0.212 119.654 119.800 0.111 0.000 2.020 135 Q HA 0.006 4.354 4.340 0.014 0.000 0.198 135 Q C 0.211 176.277 176.000 0.109 0.000 0.974 135 Q CA 0.939 56.799 55.803 0.096 0.000 0.829 135 Q CB 0.388 29.181 28.738 0.091 0.000 0.894 135 Q HN 0.387 nan 8.270 nan 0.000 0.433 136 E N -2.007 118.287 120.200 0.156 0.000 2.447 136 E HA 0.473 4.831 4.350 0.014 0.000 0.279 136 E C -0.615 176.124 176.600 0.231 0.000 1.053 136 E CA 0.051 56.540 56.400 0.149 0.000 0.840 136 E CB 1.710 31.478 29.700 0.114 0.000 1.409 136 E HN 0.264 nan 8.360 nan 0.000 0.461 137 G N 0.941 109.798 108.800 0.095 0.000 2.756 137 G HA2 -0.204 3.764 3.960 0.014 0.000 0.678 137 G HA3 -0.204 3.764 3.960 0.014 0.000 0.678 137 G C -0.793 174.083 174.900 -0.039 0.000 1.349 137 G CA -0.184 44.883 45.100 -0.055 0.000 0.847 137 G HN 0.447 nan 8.290 nan 0.000 0.548 138 Q N -0.259 119.419 119.800 -0.204 0.000 2.322 138 Q HA 0.634 4.982 4.340 0.014 0.000 0.265 138 Q C -0.660 175.301 176.000 -0.064 0.000 0.985 138 Q CA -0.478 55.280 55.803 -0.075 0.000 0.849 138 Q CB 1.183 29.859 28.738 -0.103 0.000 1.274 138 Q HN 0.589 nan 8.270 nan 0.000 0.449 139 T N 5.366 119.958 114.554 0.063 0.000 2.756 139 T HA 0.434 4.793 4.350 0.014 0.000 0.290 139 T C -0.530 174.218 174.700 0.080 0.000 0.985 139 T CA -0.626 61.507 62.100 0.054 0.000 0.955 139 T CB 0.448 69.430 68.868 0.190 0.000 0.930 139 T HN 0.627 nan 8.240 nan 0.000 0.451 140 R N 2.945 123.465 120.500 0.034 0.000 2.873 140 R HA 0.785 5.134 4.340 0.014 0.000 0.264 140 R C -0.986 175.351 176.300 0.061 0.000 1.026 140 R CA -1.009 55.132 56.100 0.069 0.000 1.002 140 R CB 1.523 31.852 30.300 0.049 0.000 1.174 140 R HN 0.549 nan 8.270 nan 0.000 0.488 141 I N 1.937 122.559 120.570 0.087 0.000 2.493 141 I HA 0.449 4.628 4.170 0.014 0.000 0.298 141 I C -1.098 175.020 176.117 0.002 0.000 0.998 141 I CA -1.313 59.985 61.300 -0.003 0.000 1.137 141 I CB 1.456 39.452 38.000 -0.007 0.000 1.310 141 I HN 0.602 nan 8.210 nan 0.000 0.445 142 I N 7.285 127.764 120.570 -0.153 0.000 2.418 142 I HA 0.296 4.474 4.170 0.014 0.000 0.287 142 I C -1.295 174.654 176.117 -0.279 0.000 1.008 142 I CA -0.436 60.801 61.300 -0.105 0.000 1.104 142 I CB 1.589 39.535 38.000 -0.088 0.000 1.264 142 I HN 0.413 nan 8.210 nan 0.000 0.438 143 F N 4.572 124.511 119.950 -0.019 0.000 2.332 143 F HA 0.263 4.799 4.527 0.014 0.000 0.368 143 F C 1.328 177.027 175.800 -0.169 0.000 1.110 143 F CA -0.455 57.470 58.000 -0.125 0.000 1.087 143 F CB 0.773 39.669 39.000 -0.173 0.000 1.235 143 F HN 0.457 nan 8.300 nan 0.000 0.470 144 D N 2.380 122.703 120.400 -0.128 0.000 2.264 144 D HA 0.033 4.681 4.640 0.014 0.000 0.208 144 D C 0.993 177.135 176.300 -0.263 0.000 0.966 144 D CA 0.891 54.768 54.000 -0.205 0.000 0.864 144 D CB 0.402 41.017 40.800 -0.308 0.000 0.933 144 D HN 0.627 nan 8.370 nan 0.000 0.499 145 G N -0.357 108.236 108.800 -0.345 0.000 2.505 145 G HA2 0.436 4.404 3.960 0.014 0.000 0.292 145 G HA3 0.436 4.404 3.960 0.014 0.000 0.292 145 G C -1.473 173.209 174.900 -0.363 0.000 1.332 145 G CA -0.397 44.403 45.100 -0.500 0.000 1.286 145 G HN -0.053 nan 8.290 nan 0.000 0.606 146 V N 2.550 122.443 119.914 -0.035 0.000 2.577 146 V HA 0.538 4.666 4.120 0.014 0.000 0.303 146 V C -0.877 175.299 176.094 0.137 0.000 1.042 146 V CA -1.146 61.123 62.300 -0.052 0.000 0.872 146 V CB 2.023 33.579 31.823 -0.445 0.000 0.998 146 V HN 0.720 nan 8.190 nan 0.000 0.423 147 N N 2.404 121.165 118.700 0.101 0.000 2.446 147 N HA 0.326 5.075 4.740 0.014 0.000 0.265 147 N C 0.641 176.073 175.510 -0.130 0.000 0.975 147 N CA 0.161 53.182 53.050 -0.048 0.000 0.928 147 N CB 2.221 40.528 38.487 -0.300 0.000 1.160 147 N HN 0.661 nan 8.380 nan 0.000 0.495 148 S N 2.062 117.723 115.700 -0.064 0.000 2.506 148 S HA 0.561 5.040 4.470 0.014 0.000 0.219 148 S C 0.400 175.053 174.600 0.088 0.000 1.031 148 S CA 0.175 58.389 58.200 0.024 0.000 0.911 148 S CB 0.294 63.530 63.200 0.059 0.000 0.812 148 S HN 0.690 nan 8.310 nan 0.000 0.497 149 A N 0.717 123.599 122.820 0.103 0.000 2.612 149 A HA 0.757 5.085 4.320 0.014 0.000 0.293 149 A C -1.323 176.339 177.584 0.131 0.000 1.075 149 A CA -0.988 51.078 52.037 0.048 0.000 0.680 149 A CB 0.791 19.856 19.000 0.109 0.000 1.279 149 A HN 1.065 nan 8.150 nan 0.000 0.411 150 F N -0.684 119.063 119.950 -0.337 0.000 2.693 150 F HA 0.757 5.293 4.527 0.014 0.000 0.309 150 F C -1.108 174.568 175.800 -0.206 0.000 1.129 150 F CA -0.810 57.090 58.000 -0.167 0.000 0.948 150 F CB 1.162 40.053 39.000 -0.181 0.000 1.315 150 F HN 0.628 nan 8.300 nan 0.000 0.447 151 H N 1.819 121.037 119.070 0.247 0.000 2.499 151 H HA 0.712 5.277 4.556 0.014 0.000 0.340 151 H C -1.449 173.835 175.328 -0.074 0.000 1.148 151 H CA -0.712 55.339 56.048 0.005 0.000 1.215 151 H CB 2.480 32.222 29.762 -0.034 0.000 1.529 151 H HN 0.761 nan 8.280 nan 0.000 0.510 152 L N 2.953 123.955 121.223 -0.368 0.000 2.386 152 L HA 0.414 4.763 4.340 0.014 0.000 0.271 152 L C -1.608 174.975 176.870 -0.478 0.000 0.993 152 L CA -0.539 54.163 54.840 -0.230 0.000 0.819 152 L CB 1.455 43.239 42.059 -0.458 0.000 1.294 152 L HN 0.525 nan 8.230 nan 0.000 0.414 153 W N 4.204 125.467 121.300 -0.062 0.000 2.864 153 W HA 0.620 5.288 4.660 0.014 0.000 0.343 153 W C -1.140 175.315 176.519 -0.106 0.000 1.109 153 W CA -0.816 56.472 57.345 -0.095 0.000 1.192 153 W CB 2.068 31.514 29.460 -0.023 0.000 1.426 153 W HN 0.614 nan 8.180 nan 0.000 0.529 154 C N 4.119 123.484 119.300 0.108 0.000 2.431 154 C HA 0.309 4.777 4.460 0.014 0.000 0.321 154 C C 0.202 175.322 174.990 0.217 0.000 1.202 154 C CA -0.375 58.721 59.018 0.131 0.000 1.398 154 C CB -0.251 27.503 27.740 0.023 0.000 2.047 154 C HN 0.807 nan 8.230 nan 0.000 0.465 155 N N 3.507 122.298 118.700 0.151 0.000 2.714 155 N HA -0.190 4.558 4.740 0.014 0.000 0.252 155 N C 0.987 176.569 175.510 0.119 0.000 1.014 155 N CA 2.006 55.118 53.050 0.103 0.000 0.735 155 N CB -1.258 37.304 38.487 0.125 0.000 0.924 155 N HN 1.848 nan 8.380 nan 0.000 0.540 156 G N -1.203 107.655 108.800 0.097 0.000 2.184 156 G HA2 -0.373 3.595 3.960 0.014 0.000 0.264 156 G HA3 -0.373 3.595 3.960 0.014 0.000 0.264 156 G C 0.132 175.196 174.900 0.274 0.000 0.975 156 G CA 0.685 45.835 45.100 0.083 0.000 0.642 156 G HN 0.565 nan 8.290 nan 0.000 0.536 157 R N -0.977 119.753 120.500 0.383 0.000 2.393 157 R HA 0.405 4.753 4.340 0.014 0.000 0.310 157 R C -0.233 176.380 176.300 0.521 0.000 0.968 157 R CA -0.877 55.521 56.100 0.496 0.000 0.867 157 R CB 1.118 31.740 30.300 0.537 0.000 1.124 157 R HN 0.205 nan 8.270 nan 0.000 0.450 158 W N 3.810 125.282 121.300 0.287 0.000 2.251 158 W HA 0.049 4.717 4.660 0.014 0.000 0.327 158 W C 0.111 176.539 176.519 -0.151 0.000 1.361 158 W CA 0.116 57.342 57.345 -0.199 0.000 1.234 158 W CB 0.646 29.973 29.460 -0.222 0.000 1.212 158 W HN 0.343 nan 8.180 nan 0.000 0.557 159 V N 5.360 124.513 119.914 -1.268 0.000 2.599 159 V HA 0.549 4.677 4.120 0.014 0.000 0.237 159 V C 1.077 176.179 176.094 -1.653 0.000 1.081 159 V CA 1.052 62.601 62.300 -1.253 0.000 1.107 159 V CB -0.473 30.681 31.823 -1.115 0.000 0.808 159 V HN 0.805 nan 8.190 nan 0.000 0.486 160 G N -1.851 105.777 108.800 -1.952 0.000 2.428 160 G HA2 0.485 4.454 3.960 0.014 0.000 0.304 160 G HA3 0.485 4.454 3.960 0.014 0.000 0.304 160 G C -2.452 171.989 174.900 -0.764 0.000 1.303 160 G CA -0.267 44.030 45.100 -1.337 0.000 0.825 160 G HN 0.022 nan 8.290 nan 0.000 0.484 161 Y N -0.574 119.454 120.300 -0.453 0.000 2.571 161 Y HA 0.714 5.272 4.550 0.014 0.000 0.341 161 Y C -0.087 175.601 175.900 -0.353 0.000 1.076 161 Y CA -0.128 57.671 58.100 -0.501 0.000 1.029 161 Y CB 2.226 40.574 38.460 -0.187 0.000 1.308 161 Y HN 1.225 nan 8.280 nan 0.000 0.461 162 G N 3.543 111.495 108.800 -1.414 0.000 2.718 162 G HA2 0.596 4.564 3.960 0.014 0.000 0.295 162 G HA3 0.596 4.564 3.960 0.014 0.000 0.295 162 G C -2.115 172.314 174.900 -0.786 0.000 1.421 162 G CA -0.877 43.717 45.100 -0.844 0.000 0.902 162 G HN 0.615 nan 8.290 nan 0.000 0.501 163 Q N -0.262 119.335 119.800 -0.338 0.000 2.587 163 Q HA 0.587 4.935 4.340 0.014 0.000 0.293 163 Q C -1.416 174.582 176.000 -0.003 0.000 1.083 163 Q CA -0.864 54.871 55.803 -0.112 0.000 0.792 163 Q CB 2.726 31.457 28.738 -0.012 0.000 1.484 163 Q HN 0.632 nan 8.270 nan 0.000 0.446 164 D N -0.077 120.359 120.400 0.061 0.000 4.370 164 D HA -0.094 4.555 4.640 0.014 0.000 0.238 164 D C -0.561 175.802 176.300 0.105 0.000 1.104 164 D CA 0.372 54.422 54.000 0.084 0.000 1.101 164 D CB -0.628 40.205 40.800 0.055 0.000 0.749 164 D HN 0.535 nan 8.370 nan 0.000 0.351 165 S N 2.942 118.718 115.700 0.127 0.000 2.595 165 S HA -0.047 4.431 4.470 0.014 0.000 0.235 165 S C 1.552 176.291 174.600 0.232 0.000 0.974 165 S CA 0.482 58.788 58.200 0.177 0.000 0.942 165 S CB 0.268 63.528 63.200 0.100 0.000 0.766 165 S HN 0.425 nan 8.310 nan 0.000 0.536 166 R N 0.087 120.680 120.500 0.156 0.000 2.535 166 R HA 0.427 4.775 4.340 0.014 0.000 0.323 166 R C -0.368 175.995 176.300 0.104 0.000 0.979 166 R CA 0.055 56.251 56.100 0.159 0.000 1.120 166 R CB 0.243 30.661 30.300 0.198 0.000 1.306 166 R HN 0.318 nan 8.270 nan 0.000 0.540 167 L N 1.651 122.907 121.223 0.054 0.000 2.350 167 L HA 0.526 4.874 4.340 0.014 0.000 0.260 167 L C -2.351 174.497 176.870 -0.036 0.000 1.015 167 L CA -2.269 52.570 54.840 -0.001 0.000 0.821 167 L CB 2.931 44.980 42.059 -0.016 0.000 1.370 167 L HN -0.206 nan 8.230 nan 0.000 0.416 168 P HA 0.111 nan 4.420 nan 0.000 0.271 168 P C -1.007 176.255 177.300 -0.065 0.000 1.216 168 P CA -0.238 62.815 63.100 -0.078 0.000 0.776 168 P CB 1.245 32.860 31.700 -0.143 0.000 0.881 169 S N 1.763 117.487 115.700 0.038 0.000 2.478 169 S HA 0.324 4.802 4.470 0.014 0.000 0.312 169 S C -0.432 174.109 174.600 -0.099 0.000 1.094 169 S CA -0.571 57.602 58.200 -0.046 0.000 1.081 169 S CB 0.864 64.186 63.200 0.203 0.000 1.007 169 S HN 0.374 nan 8.310 nan 0.000 0.475 170 E N 1.968 121.902 120.200 -0.443 0.000 2.238 170 E HA 0.597 4.955 4.350 0.014 0.000 0.267 170 E C -1.425 174.762 176.600 -0.688 0.000 0.887 170 E CA -0.589 55.622 56.400 -0.316 0.000 0.769 170 E CB 1.743 31.371 29.700 -0.121 0.000 1.187 170 E HN 0.415 nan 8.360 nan 0.000 0.416 171 F N 0.501 120.499 119.950 0.079 0.000 2.588 171 F HA 0.211 4.747 4.527 0.014 0.000 0.310 171 F C -0.112 175.705 175.800 0.028 0.000 1.082 171 F CA -1.130 56.882 58.000 0.019 0.000 0.929 171 F CB 1.661 40.642 39.000 -0.031 0.000 1.254 171 F HN 0.292 nan 8.300 nan 0.000 0.455 172 D N 2.552 123.073 120.400 0.201 0.000 2.317 172 D HA 0.250 4.898 4.640 0.014 0.000 0.252 172 D C 0.251 176.689 176.300 0.230 0.000 1.174 172 D CA 0.240 54.343 54.000 0.171 0.000 0.866 172 D CB 1.059 41.945 40.800 0.142 0.000 1.127 172 D HN 0.566 nan 8.370 nan 0.000 0.467 173 L N 2.752 124.112 121.223 0.229 0.000 2.640 173 L HA 0.032 4.380 4.340 0.014 0.000 0.230 173 L C 2.102 179.216 176.870 0.406 0.000 1.123 173 L CA -0.158 54.875 54.840 0.322 0.000 0.900 173 L CB 0.037 42.249 42.059 0.255 0.000 1.146 173 L HN 0.301 nan 8.230 nan 0.000 0.484 174 S N 1.441 117.309 115.700 0.281 0.000 2.381 174 S HA -0.301 4.177 4.470 0.014 0.000 0.230 174 S C 1.984 176.692 174.600 0.181 0.000 1.052 174 S CA 1.926 60.252 58.200 0.210 0.000 1.068 174 S CB -0.211 63.072 63.200 0.138 0.000 0.918 174 S HN 0.565 nan 8.310 nan 0.000 0.448 175 A N -0.690 122.216 122.820 0.143 0.000 2.238 175 A HA 0.346 4.674 4.320 0.014 0.000 0.208 175 A C 1.236 178.703 177.584 -0.194 0.000 1.177 175 A CA 0.273 52.274 52.037 -0.060 0.000 0.804 175 A CB -0.433 18.447 19.000 -0.199 0.000 0.823 175 A HN 0.478 nan 8.150 nan 0.000 0.482 176 F N -0.647 119.354 119.950 0.086 0.000 2.717 176 F HA 0.341 4.876 4.527 0.014 0.000 0.297 176 F C 0.698 176.550 175.800 0.087 0.000 1.113 176 F CA -0.328 57.723 58.000 0.086 0.000 1.319 176 F CB 0.021 39.082 39.000 0.103 0.000 1.097 176 F HN -0.031 nan 8.300 nan 0.000 0.595 177 L N 2.064 123.455 121.223 0.281 0.000 2.467 177 L HA 0.273 4.622 4.340 0.014 0.000 0.270 177 L C 0.416 177.341 176.870 0.091 0.000 1.205 177 L CA 0.006 54.959 54.840 0.190 0.000 0.828 177 L CB 0.464 42.645 42.059 0.204 0.000 1.101 177 L HN 0.160 nan 8.230 nan 0.000 0.479 178 R N 1.768 122.282 120.500 0.025 0.000 2.799 178 R HA 0.802 5.151 4.340 0.014 0.000 0.270 178 R C -1.108 175.167 176.300 -0.041 0.000 1.010 178 R CA -0.960 55.137 56.100 -0.005 0.000 0.916 178 R CB 1.411 31.704 30.300 -0.012 0.000 1.228 178 R HN 0.528 nan 8.270 nan 0.000 0.469 179 A N 1.045 123.846 122.820 -0.033 0.000 2.498 179 A HA 0.493 4.822 4.320 0.014 0.000 0.239 179 A C 1.094 178.634 177.584 -0.075 0.000 1.068 179 A CA 0.999 53.008 52.037 -0.047 0.000 0.766 179 A CB -0.711 18.270 19.000 -0.031 0.000 1.003 179 A HN 1.393 nan 8.150 nan 0.000 0.497 180 G N 1.323 110.068 108.800 -0.092 0.000 2.509 180 G HA2 -0.197 3.772 3.960 0.014 0.000 0.259 180 G HA3 -0.197 3.772 3.960 0.014 0.000 0.259 180 G C -0.069 174.732 174.900 -0.166 0.000 1.169 180 G CA 0.265 45.300 45.100 -0.109 0.000 0.953 180 G HN 1.019 nan 8.290 nan 0.000 0.563 181 E N 1.673 121.778 120.200 -0.159 0.000 2.344 181 E HA 0.301 4.659 4.350 0.014 0.000 0.270 181 E C 0.120 176.556 176.600 -0.275 0.000 1.021 181 E CA -0.063 56.212 56.400 -0.210 0.000 0.887 181 E CB 0.346 29.962 29.700 -0.140 0.000 0.997 181 E HN 0.407 nan 8.360 nan 0.000 0.429 182 N N 2.371 120.776 118.700 -0.491 0.000 2.381 182 N HA 0.423 5.171 4.740 0.014 0.000 0.294 182 N C -0.821 174.487 175.510 -0.337 0.000 1.216 182 N CA -0.696 52.050 53.050 -0.507 0.000 0.803 182 N CB 2.166 40.048 38.487 -1.009 0.000 1.372 182 N HN 0.278 nan 8.380 nan 0.000 0.500 183 R N 1.420 121.876 120.500 -0.075 0.000 2.532 183 R HA 0.462 4.810 4.340 0.014 0.000 0.297 183 R C -1.334 175.065 176.300 0.164 0.000 0.984 183 R CA -0.463 55.667 56.100 0.050 0.000 0.884 183 R CB 0.918 31.197 30.300 -0.035 0.000 1.182 183 R HN 0.469 nan 8.270 nan 0.000 0.442 184 L N 3.027 124.377 121.223 0.210 0.000 2.343 184 L HA 0.780 5.128 4.340 0.014 0.000 0.275 184 L C -0.255 176.703 176.870 0.146 0.000 1.056 184 L CA -0.950 54.016 54.840 0.211 0.000 0.804 184 L CB 1.951 44.137 42.059 0.211 0.000 1.203 184 L HN 0.776 nan 8.230 nan 0.000 0.440 185 A N 2.858 125.776 122.820 0.163 0.000 2.353 185 A HA 0.736 5.065 4.320 0.014 0.000 0.299 185 A C -1.099 176.793 177.584 0.513 0.000 1.089 185 A CA -0.436 51.613 52.037 0.020 0.000 0.736 185 A CB 1.504 20.012 19.000 -0.819 0.000 1.195 185 A HN 0.367 nan 8.150 nan 0.000 0.447 186 V N 3.563 123.942 119.914 0.776 0.000 2.443 186 V HA 0.432 4.560 4.120 0.014 0.000 0.293 186 V C -0.076 176.551 176.094 0.889 0.000 1.021 186 V CA -0.280 62.463 62.300 0.738 0.000 0.848 186 V CB 1.554 33.641 31.823 0.440 0.000 0.998 186 V HN 0.965 nan 8.190 nan 0.000 0.424 187 M N 6.072 126.231 119.600 0.931 0.000 2.069 187 M HA 0.523 5.012 4.480 0.014 0.000 0.349 187 M C -1.363 175.195 176.300 0.430 0.000 1.194 187 M CA -0.301 55.371 55.300 0.620 0.000 1.081 187 M CB 0.915 33.952 32.600 0.728 0.000 1.500 187 M HN 0.481 nan 8.290 nan 0.000 0.438 188 V N 6.779 126.901 119.914 0.346 0.000 2.394 188 V HA 0.401 4.530 4.120 0.014 0.000 0.282 188 V C -0.083 176.166 176.094 0.259 0.000 1.031 188 V CA -0.705 61.795 62.300 0.334 0.000 0.881 188 V CB 1.534 33.644 31.823 0.478 0.000 0.982 188 V HN 0.782 nan 8.190 nan 0.000 0.451 189 L N 4.887 126.189 121.223 0.131 0.000 2.289 189 L HA 0.517 4.866 4.340 0.014 0.000 0.285 189 L C 1.545 178.422 176.870 0.011 0.000 1.049 189 L CA -0.390 54.450 54.840 0.001 0.000 0.804 189 L CB 1.164 43.114 42.059 -0.181 0.000 1.195 189 L HN 0.644 nan 8.230 nan 0.000 0.428 190 R N 2.750 123.216 120.500 -0.056 0.000 2.073 190 R HA -0.056 4.292 4.340 0.014 0.000 0.234 190 R C -0.329 175.656 176.300 -0.525 0.000 1.134 190 R CA 1.364 57.195 56.100 -0.448 0.000 0.952 190 R CB 0.217 30.113 30.300 -0.673 0.000 0.850 190 R HN 0.564 nan 8.270 nan 0.000 0.433 191 W N -0.041 121.315 121.300 0.094 0.000 2.627 191 W HA 0.402 5.070 4.660 0.014 0.000 0.339 191 W C -0.263 176.359 176.519 0.171 0.000 1.058 191 W CA -0.766 56.643 57.345 0.108 0.000 1.223 191 W CB 1.784 31.313 29.460 0.115 0.000 1.389 191 W HN 0.021 nan 8.180 nan 0.000 0.541 192 S N -1.150 114.823 115.700 0.455 0.000 2.727 192 S HA 0.209 4.688 4.470 0.014 0.000 0.278 192 S C 0.093 174.955 174.600 0.437 0.000 1.186 192 S CA -0.410 58.077 58.200 0.479 0.000 0.836 192 S CB 1.136 64.591 63.200 0.425 0.000 1.186 192 S HN 0.616 nan 8.310 nan 0.000 0.499 193 D N 0.369 121.030 120.400 0.435 0.000 2.263 193 D HA 0.074 4.722 4.640 0.014 0.000 0.208 193 D C 1.792 178.416 176.300 0.541 0.000 0.971 193 D CA 1.165 55.471 54.000 0.509 0.000 0.867 193 D CB -0.743 40.218 40.800 0.268 0.000 0.929 193 D HN 0.693 nan 8.370 nan 0.000 0.492 194 G N 0.182 109.211 108.800 0.382 0.000 2.432 194 G HA2 -0.277 3.691 3.960 0.014 0.000 0.219 194 G HA3 -0.277 3.691 3.960 0.014 0.000 0.219 194 G C 1.713 176.803 174.900 0.317 0.000 1.135 194 G CA 0.789 46.082 45.100 0.322 0.000 0.767 194 G HN 0.323 nan 8.290 nan 0.000 0.550 195 S N -0.062 115.812 115.700 0.290 0.000 2.419 195 S HA -0.101 4.377 4.470 0.014 0.000 0.233 195 S C 1.896 176.597 174.600 0.169 0.000 1.016 195 S CA 0.756 59.093 58.200 0.229 0.000 0.974 195 S CB -0.395 62.954 63.200 0.248 0.000 0.786 195 S HN 0.557 nan 8.310 nan 0.000 0.492 196 Y N 1.154 121.588 120.300 0.224 0.000 2.421 196 Y HA 0.076 4.634 4.550 0.014 0.000 0.292 196 Y C 1.562 177.572 175.900 0.182 0.000 1.136 196 Y CA 0.645 58.800 58.100 0.093 0.000 1.255 196 Y CB -0.206 38.164 38.460 -0.149 0.000 0.991 196 Y HN 0.196 nan 8.280 nan 0.000 0.552 197 L N -0.230 121.194 121.223 0.336 0.000 2.700 197 L HA 0.144 4.492 4.340 0.014 0.000 0.234 197 L C -0.002 177.012 176.870 0.239 0.000 1.156 197 L CA 0.390 55.382 54.840 0.254 0.000 0.946 197 L CB 0.060 42.270 42.059 0.252 0.000 1.216 197 L HN 0.138 nan 8.230 nan 0.000 0.493 198 E N -0.208 120.144 120.200 0.253 0.000 3.858 198 E HA 0.037 4.396 4.350 0.014 0.000 0.208 198 E C -0.447 176.264 176.600 0.185 0.000 1.041 198 E CA -0.065 56.467 56.400 0.220 0.000 1.368 198 E CB 0.524 30.344 29.700 0.200 0.000 1.176 198 E HN 0.035 nan 8.360 nan 0.000 0.448 199 D N 1.135 121.607 120.400 0.122 0.000 2.538 199 D HA 0.021 4.670 4.640 0.014 0.000 0.234 199 D C -0.195 176.106 176.300 0.002 0.000 1.191 199 D CA -0.049 53.911 54.000 -0.066 0.000 0.828 199 D CB 0.139 40.660 40.800 -0.465 0.000 0.981 199 D HN 0.062 nan 8.370 nan 0.000 0.490 200 Q N 0.478 120.373 119.800 0.159 0.000 2.395 200 Q HA 0.101 4.450 4.340 0.014 0.000 0.271 200 Q C -0.061 176.071 176.000 0.219 0.000 1.026 200 Q CA 0.095 56.064 55.803 0.276 0.000 0.900 200 Q CB 0.550 29.615 28.738 0.546 0.000 1.266 200 Q HN 0.050 nan 8.270 nan 0.000 0.430 201 D N 3.175 123.727 120.400 0.253 0.000 2.441 201 D HA 0.157 4.806 4.640 0.014 0.000 0.243 201 D C -0.770 175.687 176.300 0.262 0.000 1.257 201 D CA 0.189 54.313 54.000 0.208 0.000 1.027 201 D CB -0.445 40.462 40.800 0.180 0.000 1.084 201 D HN 0.508 nan 8.370 nan 0.000 0.514 202 M N 0.542 120.268 119.600 0.210 0.000 2.956 202 M HA 0.341 4.829 4.480 0.014 0.000 0.272 202 M C -1.328 175.074 176.300 0.171 0.000 1.132 202 M CA -1.153 54.188 55.300 0.069 0.000 0.805 202 M CB 0.958 33.525 32.600 -0.055 0.000 1.639 202 M HN -0.088 nan 8.290 nan 0.000 0.520 203 W N 1.855 123.240 121.300 0.142 0.000 2.231 203 W HA 0.273 4.942 4.660 0.014 0.000 0.341 203 W C 0.325 176.874 176.519 0.049 0.000 1.298 203 W CA 0.073 57.499 57.345 0.135 0.000 1.266 203 W CB 0.316 29.793 29.460 0.028 0.000 1.172 203 W HN 0.307 nan 8.180 nan 0.000 0.568 204 R N 4.466 125.160 120.500 0.323 0.000 2.215 204 R HA 0.446 4.794 4.340 0.014 0.000 0.336 204 R C -0.162 176.148 176.300 0.018 0.000 0.996 204 R CA -0.311 55.889 56.100 0.167 0.000 0.847 204 R CB 0.393 30.865 30.300 0.286 0.000 1.127 204 R HN 0.555 nan 8.270 nan 0.000 0.465 205 M N 0.191 119.685 119.600 -0.176 0.000 2.777 205 M HA 0.530 5.019 4.480 0.014 0.000 0.288 205 M C -0.097 175.858 176.300 -0.575 0.000 1.181 205 M CA -0.827 54.254 55.300 -0.365 0.000 0.758 205 M CB 2.336 34.716 32.600 -0.367 0.000 1.757 205 M HN 0.640 nan 8.290 nan 0.000 0.453 206 S N -1.204 114.020 115.700 -0.794 0.000 2.611 206 S HA 0.956 5.434 4.470 0.014 0.000 0.268 206 S C -0.604 173.472 174.600 -0.874 0.000 1.156 206 S CA -0.175 57.470 58.200 -0.925 0.000 0.817 206 S CB 1.784 64.263 63.200 -1.202 0.000 1.122 206 S HN 1.482 nan 8.310 nan 0.000 0.466 207 G N -0.036 108.482 108.800 -0.470 0.000 2.343 207 G HA2 0.175 4.144 3.960 0.014 0.000 0.562 207 G HA3 0.175 4.144 3.960 0.014 0.000 0.562 207 G C -1.532 173.347 174.900 -0.035 0.000 1.269 207 G CA -0.600 44.525 45.100 0.043 0.000 1.011 207 G HN 1.138 nan 8.290 nan 0.000 0.498 208 I N 2.066 122.474 120.570 -0.270 0.000 2.276 208 I HA 0.308 4.486 4.170 0.014 0.000 0.290 208 I C 1.032 177.008 176.117 -0.234 0.000 1.109 208 I CA -0.273 60.776 61.300 -0.419 0.000 1.229 208 I CB -0.006 37.462 38.000 -0.886 0.000 1.452 208 I HN 0.526 nan 8.210 nan 0.000 0.497 209 F N 4.524 124.316 119.950 -0.264 0.000 2.678 209 F HA 0.477 5.012 4.527 0.014 0.000 0.305 209 F C 0.670 176.387 175.800 -0.138 0.000 1.090 209 F CA -0.544 57.337 58.000 -0.198 0.000 1.272 209 F CB 0.172 39.058 39.000 -0.190 0.000 1.060 209 F HN 0.133 nan 8.300 nan 0.000 0.576 210 R N 0.510 120.566 120.500 -0.739 0.000 2.930 210 R HA 0.244 4.593 4.340 0.014 0.000 0.257 210 R C -0.714 175.376 176.300 -0.351 0.000 1.107 210 R CA -1.172 54.611 56.100 -0.529 0.000 0.999 210 R CB 0.697 30.596 30.300 -0.668 0.000 1.209 210 R HN -0.035 nan 8.270 nan 0.000 0.486 211 D N 0.672 120.914 120.400 -0.263 0.000 2.406 211 D HA 0.089 4.737 4.640 0.014 0.000 0.234 211 D C -0.470 175.692 176.300 -0.230 0.000 1.196 211 D CA 0.495 54.380 54.000 -0.192 0.000 0.881 211 D CB 0.654 41.374 40.800 -0.132 0.000 1.205 211 D HN -0.018 nan 8.370 nan 0.000 0.453 212 V N 0.796 120.589 119.914 -0.202 0.000 2.588 212 V HA 0.554 4.683 4.120 0.014 0.000 0.304 212 V C 0.016 176.002 176.094 -0.180 0.000 1.042 212 V CA -0.572 61.548 62.300 -0.298 0.000 0.877 212 V CB 1.782 33.442 31.823 -0.271 0.000 0.996 212 V HN 0.768 nan 8.190 nan 0.000 0.425 213 S N 4.552 120.119 115.700 -0.222 0.000 2.651 213 S HA 0.857 5.335 4.470 0.014 0.000 0.279 213 S C -1.328 173.211 174.600 -0.101 0.000 1.148 213 S CA -0.929 57.205 58.200 -0.111 0.000 0.837 213 S CB 1.910 65.074 63.200 -0.061 0.000 1.138 213 S HN 0.463 nan 8.310 nan 0.000 0.478 214 L N 1.288 122.512 121.223 0.001 0.000 2.346 214 L HA 0.711 5.060 4.340 0.014 0.000 0.276 214 L C -1.455 175.478 176.870 0.106 0.000 1.006 214 L CA -0.895 53.992 54.840 0.077 0.000 0.817 214 L CB 1.774 43.977 42.059 0.242 0.000 1.272 214 L HN 0.670 nan 8.230 nan 0.000 0.421 215 L N 3.118 124.346 121.223 0.008 0.000 2.406 215 L HA 0.413 4.761 4.340 0.014 0.000 0.272 215 L C -0.816 175.919 176.870 -0.225 0.000 0.980 215 L CA -0.096 54.701 54.840 -0.072 0.000 0.831 215 L CB 1.464 43.507 42.059 -0.026 0.000 1.253 215 L HN 0.519 nan 8.230 nan 0.000 0.406 216 H N 5.620 124.339 119.070 -0.586 0.000 2.623 216 H HA 0.408 4.972 4.556 0.014 0.000 0.299 216 H C -1.019 174.034 175.328 -0.457 0.000 1.052 216 H CA -0.706 54.848 56.048 -0.823 0.000 1.231 216 H CB 0.795 29.440 29.762 -1.862 0.000 1.389 216 H HN 0.513 nan 8.280 nan 0.000 0.469 217 K N 4.951 125.002 120.400 -0.582 0.000 2.185 217 K HA 0.384 4.712 4.320 0.014 0.000 0.240 217 K C -2.577 173.708 176.600 -0.526 0.000 0.983 217 K CA -1.979 54.033 56.287 -0.459 0.000 0.873 217 K CB 1.603 33.933 32.500 -0.284 0.000 1.118 217 K HN 0.493 nan 8.250 nan 0.000 0.441 218 P HA 0.079 nan 4.420 nan 0.000 0.274 218 P C 0.675 177.864 177.300 -0.185 0.000 1.246 218 P CA -0.089 62.861 63.100 -0.250 0.000 0.795 218 P CB 0.301 31.912 31.700 -0.149 0.000 1.006 219 T N -3.531 110.947 114.554 -0.126 0.000 2.904 219 T HA -0.017 4.342 4.350 0.014 0.000 0.267 219 T C 0.665 175.312 174.700 -0.088 0.000 1.059 219 T CA 1.145 63.190 62.100 -0.091 0.000 1.137 219 T CB -0.950 67.884 68.868 -0.056 0.000 0.879 219 T HN 0.277 nan 8.240 nan 0.000 0.467 220 T N 3.296 117.800 114.554 -0.083 0.000 2.781 220 T HA 0.493 4.852 4.350 0.014 0.000 0.305 220 T C -0.418 174.223 174.700 -0.097 0.000 1.001 220 T CA -0.751 61.294 62.100 -0.093 0.000 0.950 220 T CB 0.798 69.624 68.868 -0.070 0.000 0.955 220 T HN 0.690 nan 8.240 nan 0.000 0.471 221 Q N 2.499 122.230 119.800 -0.115 0.000 2.553 221 Q HA 0.624 4.973 4.340 0.014 0.000 0.293 221 Q C -1.209 174.726 176.000 -0.108 0.000 1.038 221 Q CA -1.171 54.558 55.803 -0.124 0.000 0.777 221 Q CB 1.363 30.006 28.738 -0.157 0.000 1.487 221 Q HN 0.439 nan 8.270 nan 0.000 0.426 222 I N 2.536 123.022 120.570 -0.140 0.000 2.452 222 I HA 0.029 4.208 4.170 0.014 0.000 0.287 222 I C 0.697 176.731 176.117 -0.139 0.000 1.079 222 I CA 0.054 61.295 61.300 -0.098 0.000 1.387 222 I CB 1.123 39.018 38.000 -0.176 0.000 1.404 222 I HN 0.897 nan 8.210 nan 0.000 0.522 223 S N 2.703 118.428 115.700 0.042 0.000 2.505 223 S HA 0.217 4.695 4.470 0.014 0.000 0.216 223 S C 0.138 174.950 174.600 0.354 0.000 1.018 223 S CA -0.271 58.022 58.200 0.154 0.000 0.911 223 S CB 0.329 63.569 63.200 0.068 0.000 0.818 223 S HN 0.709 nan 8.310 nan 0.000 0.497 224 D N -0.261 120.345 120.400 0.342 0.000 2.728 224 D HA 0.503 5.151 4.640 0.014 0.000 0.249 224 D C -1.950 174.536 176.300 0.311 0.000 1.225 224 D CA -0.714 53.489 54.000 0.339 0.000 0.748 224 D CB 1.485 42.380 40.800 0.159 0.000 1.326 224 D HN 0.213 nan 8.370 nan 0.000 0.426 225 F N -0.520 119.493 119.950 0.106 0.000 2.635 225 F HA 0.608 5.144 4.527 0.014 0.000 0.314 225 F C -1.549 174.314 175.800 0.106 0.000 1.119 225 F CA -0.780 57.212 58.000 -0.013 0.000 1.000 225 F CB 1.234 40.266 39.000 0.053 0.000 1.278 225 F HN 0.243 nan 8.300 nan 0.000 0.446 226 H N 2.214 121.369 119.070 0.141 0.000 2.529 226 H HA 0.727 5.291 4.556 0.014 0.000 0.348 226 H C -1.243 174.129 175.328 0.075 0.000 1.079 226 H CA -1.487 54.569 56.048 0.013 0.000 1.198 226 H CB 2.573 32.323 29.762 -0.020 0.000 1.521 226 H HN 0.607 nan 8.280 nan 0.000 0.514 227 V N 2.474 122.490 119.914 0.169 0.000 2.417 227 V HA 0.650 4.779 4.120 0.014 0.000 0.291 227 V C -0.178 175.915 176.094 -0.002 0.000 1.024 227 V CA -0.531 61.819 62.300 0.084 0.000 0.861 227 V CB 1.236 33.103 31.823 0.074 0.000 0.985 227 V HN 0.929 nan 8.190 nan 0.000 0.436 228 A N 3.396 126.193 122.820 -0.038 0.000 2.401 228 A HA 0.947 5.276 4.320 0.014 0.000 0.310 228 A C -0.156 177.341 177.584 -0.146 0.000 1.075 228 A CA -0.532 51.464 52.037 -0.069 0.000 0.746 228 A CB 1.996 20.975 19.000 -0.035 0.000 1.277 228 A HN 0.904 nan 8.150 nan 0.000 0.425 229 T N -0.068 114.383 114.554 -0.171 0.000 2.881 229 T HA 0.731 5.089 4.350 0.014 0.000 0.291 229 T C -0.497 173.989 174.700 -0.356 0.000 0.990 229 T CA -0.680 61.233 62.100 -0.311 0.000 0.976 229 T CB 0.983 69.598 68.868 -0.422 0.000 0.970 229 T HN 0.708 nan 8.240 nan 0.000 0.438 230 R N 1.890 122.099 120.500 -0.484 0.000 2.832 230 R HA 0.811 5.159 4.340 0.014 0.000 0.271 230 R C -1.205 174.667 176.300 -0.714 0.000 0.996 230 R CA -0.821 55.045 56.100 -0.389 0.000 0.977 230 R CB 1.654 31.859 30.300 -0.158 0.000 1.168 230 R HN 0.549 nan 8.270 nan 0.000 0.482 231 F N 0.141 120.065 119.950 -0.044 0.000 2.620 231 F HA 0.333 4.867 4.527 0.013 0.000 0.320 231 F C 0.496 176.148 175.800 -0.247 0.000 1.069 231 F CA -1.093 56.814 58.000 -0.155 0.000 0.953 231 F CB 1.076 39.850 39.000 -0.377 0.000 1.322 231 F HN 0.543 nan 8.300 nan 0.000 0.479 232 N N -0.016 118.656 118.700 -0.046 0.000 2.366 232 N HA 0.056 4.804 4.740 0.014 0.000 0.277 232 N C 0.491 175.862 175.510 -0.232 0.000 1.275 232 N CA -0.108 52.882 53.050 -0.100 0.000 0.964 232 N CB 0.021 38.478 38.487 -0.051 0.000 1.167 232 N HN 0.665 nan 8.380 nan 0.000 0.568 233 D N -1.375 118.941 120.400 -0.139 0.000 2.182 233 D HA -0.231 4.417 4.640 0.014 0.000 0.201 233 D C 0.276 176.509 176.300 -0.112 0.000 0.986 233 D CA 1.543 55.467 54.000 -0.126 0.000 0.847 233 D CB -0.549 40.232 40.800 -0.032 0.000 0.942 233 D HN 0.740 nan 8.370 nan 0.000 0.467 234 D N -1.701 118.671 120.400 -0.047 0.000 2.462 234 D HA 0.033 4.682 4.640 0.014 0.000 0.221 234 D C 0.065 176.524 176.300 0.264 0.000 1.173 234 D CA -0.966 53.117 54.000 0.138 0.000 0.831 234 D CB -0.962 39.912 40.800 0.124 0.000 1.001 234 D HN 0.156 nan 8.370 nan 0.000 0.499 235 F N 0.351 120.359 119.950 0.097 0.000 2.953 235 F HA -0.288 4.247 4.527 0.012 0.000 0.292 235 F C 1.622 177.503 175.800 0.134 0.000 0.747 235 F CA 0.827 58.899 58.000 0.120 0.000 1.222 235 F CB -2.520 36.448 39.000 -0.052 0.000 1.457 235 F HN 0.212 nan 8.300 nan 0.000 0.383 236 S N -1.338 114.462 115.700 0.168 0.000 2.558 236 S HA 0.310 4.789 4.470 0.014 0.000 0.217 236 S C 0.626 175.277 174.600 0.086 0.000 0.975 236 S CA 0.028 58.301 58.200 0.122 0.000 0.912 236 S CB 0.399 63.647 63.200 0.080 0.000 0.776 236 S HN 0.463 nan 8.310 nan 0.000 0.526 237 R N 0.127 120.681 120.500 0.091 0.000 2.651 237 R HA 0.794 5.142 4.340 0.014 0.000 0.278 237 R C -1.344 174.980 176.300 0.040 0.000 1.010 237 R CA -0.225 55.896 56.100 0.035 0.000 0.896 237 R CB 2.262 32.558 30.300 -0.006 0.000 1.211 237 R HN 0.252 nan 8.270 nan 0.000 0.456 238 A N 1.707 124.495 122.820 -0.053 0.000 2.498 238 A HA 0.737 5.065 4.320 0.014 0.000 0.298 238 A C -1.290 176.205 177.584 -0.148 0.000 1.075 238 A CA -0.670 51.251 52.037 -0.194 0.000 0.714 238 A CB 1.936 20.806 19.000 -0.216 0.000 1.299 238 A HN 0.355 nan 8.150 nan 0.000 0.407 239 V N 1.865 121.661 119.914 -0.197 0.000 2.448 239 V HA 0.437 4.565 4.120 0.014 0.000 0.295 239 V C -0.384 175.643 176.094 -0.112 0.000 1.025 239 V CA -0.401 61.828 62.300 -0.118 0.000 0.859 239 V CB 1.406 33.163 31.823 -0.109 0.000 0.988 239 V HN 0.792 nan 8.190 nan 0.000 0.431 240 L N 4.815 126.012 121.223 -0.044 0.000 2.264 240 L HA 0.617 4.966 4.340 0.014 0.000 0.289 240 L C -0.035 176.796 176.870 -0.065 0.000 1.044 240 L CA -0.025 54.774 54.840 -0.069 0.000 0.807 240 L CB 1.083 43.129 42.059 -0.021 0.000 1.192 240 L HN 0.814 nan 8.230 nan 0.000 0.425 241 E N 4.601 124.759 120.200 -0.070 0.000 2.176 241 E HA 0.672 5.031 4.350 0.014 0.000 0.267 241 E C -1.516 175.074 176.600 -0.018 0.000 0.893 241 E CA -0.798 55.577 56.400 -0.043 0.000 0.761 241 E CB 1.813 31.486 29.700 -0.044 0.000 1.133 241 E HN 0.710 nan 8.360 nan 0.000 0.409 242 A N 4.590 127.405 122.820 -0.008 0.000 2.311 242 A HA 0.312 4.641 4.320 0.014 0.000 0.306 242 A C -0.681 176.904 177.584 0.003 0.000 1.189 242 A CA -0.671 51.383 52.037 0.029 0.000 0.791 242 A CB 1.123 20.141 19.000 0.029 0.000 1.172 242 A HN 0.756 nan 8.150 nan 0.000 0.481 243 E N 2.291 122.490 120.200 -0.002 0.000 2.229 243 E HA 0.518 4.876 4.350 0.014 0.000 0.283 243 E C -1.212 175.337 176.600 -0.085 0.000 1.030 243 E CA -0.278 56.077 56.400 -0.075 0.000 0.836 243 E CB 1.007 30.619 29.700 -0.146 0.000 1.068 243 E HN 0.390 nan 8.360 nan 0.000 0.401 244 V N 4.874 124.760 119.914 -0.046 0.000 2.540 244 V HA 0.280 4.408 4.120 0.014 0.000 0.302 244 V C -0.478 175.671 176.094 0.092 0.000 1.035 244 V CA -0.798 61.522 62.300 0.033 0.000 0.873 244 V CB 1.749 33.577 31.823 0.009 0.000 0.992 244 V HN 0.740 nan 8.190 nan 0.000 0.428 245 Q N 4.042 123.900 119.800 0.097 0.000 2.345 245 Q HA 0.821 5.170 4.340 0.014 0.000 0.268 245 Q C -0.822 175.243 176.000 0.108 0.000 1.054 245 Q CA -0.880 54.981 55.803 0.097 0.000 0.835 245 Q CB 2.701 31.436 28.738 -0.003 0.000 1.339 245 Q HN 0.816 nan 8.270 nan 0.000 0.447 246 M N -0.886 118.711 119.600 -0.005 0.000 2.716 246 M HA 0.741 5.230 4.480 0.014 0.000 0.307 246 M C -1.327 174.885 176.300 -0.147 0.000 1.223 246 M CA -0.505 54.712 55.300 -0.138 0.000 0.871 246 M CB 1.580 33.909 32.600 -0.451 0.000 1.739 246 M HN 0.490 nan 8.290 nan 0.000 0.475 247 C N 1.003 120.225 119.300 -0.130 0.000 2.634 247 C HA 1.035 5.503 4.460 0.014 0.000 0.313 247 C C 0.564 175.477 174.990 -0.129 0.000 1.198 247 C CA 0.540 59.496 59.018 -0.103 0.000 1.605 247 C CB 0.870 28.575 27.740 -0.059 0.000 2.196 247 C HN 1.391 nan 8.230 nan 0.000 0.486 248 G N 1.837 110.569 108.800 -0.114 0.000 2.373 248 G HA2 0.024 3.992 3.960 0.014 0.000 0.634 248 G HA3 0.024 3.992 3.960 0.014 0.000 0.634 248 G C -1.162 173.660 174.900 -0.129 0.000 1.267 248 G CA -0.693 44.341 45.100 -0.110 0.000 1.008 248 G HN 0.869 nan 8.290 nan 0.000 0.497 249 E N -0.014 120.117 120.200 -0.115 0.000 2.223 249 E HA 0.418 4.777 4.350 0.014 0.000 0.282 249 E C 0.476 176.971 176.600 -0.175 0.000 1.046 249 E CA -0.415 55.914 56.400 -0.119 0.000 0.857 249 E CB 0.359 30.012 29.700 -0.078 0.000 1.055 249 E HN 0.425 nan 8.360 nan 0.000 0.409 250 L N 4.914 126.023 121.223 -0.190 0.000 2.426 250 L HA 0.265 4.613 4.340 0.014 0.000 0.271 250 L C 0.582 177.311 176.870 -0.235 0.000 1.169 250 L CA 0.160 54.858 54.840 -0.237 0.000 0.836 250 L CB 0.404 42.348 42.059 -0.193 0.000 1.112 250 L HN 0.414 nan 8.230 nan 0.000 0.465 251 R N 1.492 121.795 120.500 -0.328 0.000 2.651 251 R HA 0.175 4.524 4.340 0.014 0.000 0.278 251 R C -0.372 175.667 176.300 -0.436 0.000 1.010 251 R CA -0.799 55.020 56.100 -0.468 0.000 0.896 251 R CB 1.799 31.530 30.300 -0.948 0.000 1.211 251 R HN 0.539 nan 8.270 nan 0.000 0.456 252 D N 1.086 121.321 120.400 -0.275 0.000 2.263 252 D HA -0.149 4.499 4.640 0.014 0.000 0.208 252 D C 1.476 177.735 176.300 -0.067 0.000 0.971 252 D CA 1.580 55.508 54.000 -0.120 0.000 0.867 252 D CB 0.061 40.844 40.800 -0.028 0.000 0.929 252 D HN 0.580 nan 8.370 nan 0.000 0.492 253 Y N -0.295 120.015 120.300 0.017 0.000 2.529 253 Y HA 0.277 4.836 4.550 0.014 0.000 0.290 253 Y C 0.774 176.676 175.900 0.004 0.000 1.177 253 Y CA -0.489 57.618 58.100 0.012 0.000 1.305 253 Y CB -0.855 37.613 38.460 0.013 0.000 1.047 253 Y HN -0.195 nan 8.280 nan 0.000 0.522 254 L N 2.432 123.599 121.223 -0.094 0.000 2.452 254 L HA 0.331 4.680 4.340 0.014 0.000 0.267 254 L C 0.237 177.103 176.870 -0.007 0.000 1.188 254 L CA -0.196 54.667 54.840 0.039 0.000 0.821 254 L CB 0.495 42.590 42.059 0.060 0.000 1.102 254 L HN 0.156 nan 8.230 nan 0.000 0.470 255 R N 1.470 121.859 120.500 -0.185 0.000 2.799 255 R HA 0.706 5.055 4.340 0.014 0.000 0.270 255 R C -1.491 174.480 176.300 -0.547 0.000 1.010 255 R CA -0.817 55.031 56.100 -0.420 0.000 0.916 255 R CB 2.112 32.060 30.300 -0.587 0.000 1.228 255 R HN 0.271 nan 8.270 nan 0.000 0.469 256 V N 0.626 120.248 119.914 -0.486 0.000 2.656 256 V HA 0.541 4.669 4.120 0.014 0.000 0.307 256 V C -0.292 175.750 176.094 -0.087 0.000 1.051 256 V CA -0.583 61.535 62.300 -0.304 0.000 0.893 256 V CB 2.341 33.917 31.823 -0.412 0.000 0.999 256 V HN 0.717 nan 8.190 nan 0.000 0.426 257 T N 3.477 118.091 114.554 0.100 0.000 2.824 257 T HA 0.635 4.993 4.350 0.014 0.000 0.282 257 T C -0.757 173.949 174.700 0.010 0.000 0.993 257 T CA -0.347 61.808 62.100 0.092 0.000 0.967 257 T CB 1.749 70.703 68.868 0.143 0.000 0.960 257 T HN 0.354 nan 8.240 nan 0.000 0.441 258 V N 3.047 122.948 119.914 -0.022 0.000 2.495 258 V HA 0.627 4.756 4.120 0.014 0.000 0.298 258 V C -0.198 175.889 176.094 -0.013 0.000 1.031 258 V CA -0.562 61.722 62.300 -0.027 0.000 0.871 258 V CB 2.023 33.819 31.823 -0.044 0.000 0.988 258 V HN 0.949 nan 8.190 nan 0.000 0.432 259 S N 4.441 120.159 115.700 0.030 0.000 2.536 259 S HA 0.763 5.241 4.470 0.014 0.000 0.298 259 S C -0.959 173.667 174.600 0.043 0.000 1.083 259 S CA -0.484 57.710 58.200 -0.011 0.000 0.995 259 S CB 1.879 65.117 63.200 0.062 0.000 1.058 259 S HN 0.563 nan 8.310 nan 0.000 0.488 260 L N 2.656 123.814 121.223 -0.107 0.000 2.333 260 L HA 0.727 5.075 4.340 0.014 0.000 0.280 260 L C -2.018 174.798 176.870 -0.089 0.000 1.004 260 L CA -0.127 54.737 54.840 0.040 0.000 0.820 260 L CB 0.723 42.808 42.059 0.043 0.000 1.247 260 L HN 0.720 nan 8.230 nan 0.000 0.416 261 W N 3.606 125.013 121.300 0.177 0.000 2.736 261 W HA 0.579 5.247 4.660 0.014 0.000 0.335 261 W C -0.569 176.076 176.519 0.210 0.000 1.059 261 W CA -0.434 57.001 57.345 0.150 0.000 1.226 261 W CB 1.471 30.966 29.460 0.059 0.000 1.416 261 W HN 0.415 nan 8.180 nan 0.000 0.505 262 Q N 2.672 122.668 119.800 0.326 0.000 2.413 262 Q HA 0.492 4.840 4.340 0.014 0.000 0.258 262 Q C 0.746 176.801 176.000 0.092 0.000 1.037 262 Q CA 0.481 56.325 55.803 0.068 0.000 0.764 262 Q CB 0.626 29.365 28.738 0.002 0.000 1.217 262 Q HN 0.778 nan 8.270 nan 0.000 0.490 263 G N 3.244 112.086 108.800 0.071 0.000 2.574 263 G HA2 -0.369 3.599 3.960 0.014 0.000 0.286 263 G HA3 -0.369 3.599 3.960 0.014 0.000 0.286 263 G C 0.225 175.214 174.900 0.148 0.000 1.212 263 G CA 0.392 45.529 45.100 0.063 0.000 0.979 263 G HN 0.734 nan 8.290 nan 0.000 0.557 264 E N 0.712 120.988 120.200 0.127 0.000 2.476 264 E HA 0.225 4.583 4.350 0.014 0.000 0.191 264 E C 0.274 177.098 176.600 0.373 0.000 1.064 264 E CA 0.543 57.052 56.400 0.182 0.000 0.866 264 E CB 0.193 29.940 29.700 0.079 0.000 0.952 264 E HN 0.315 nan 8.360 nan 0.000 0.492 265 T N 1.282 116.033 114.554 0.328 0.000 2.771 265 T HA 0.118 4.477 4.350 0.014 0.000 0.281 265 T C -0.343 174.380 174.700 0.039 0.000 0.982 265 T CA -0.518 61.697 62.100 0.192 0.000 0.978 265 T CB 1.594 70.511 68.868 0.082 0.000 0.930 265 T HN 0.042 nan 8.240 nan 0.000 0.447 266 Q N 2.924 122.483 119.800 -0.402 0.000 2.295 266 Q HA 0.290 4.638 4.340 0.014 0.000 0.259 266 Q C 0.943 176.682 176.000 -0.435 0.000 0.976 266 Q CA -0.459 54.764 55.803 -0.968 0.000 0.923 266 Q CB 0.707 28.585 28.738 -1.432 0.000 1.185 266 Q HN 0.690 nan 8.270 nan 0.000 0.410 267 V N 1.016 120.748 119.914 -0.304 0.000 3.307 267 V HA 0.593 4.722 4.120 0.014 0.000 0.253 267 V C 0.308 176.308 176.094 -0.157 0.000 1.149 267 V CA 0.714 62.928 62.300 -0.144 0.000 1.112 267 V CB 0.040 31.856 31.823 -0.011 0.000 0.777 267 V HN 0.657 nan 8.190 nan 0.000 0.464 268 A N -0.953 121.745 122.820 -0.204 0.000 2.608 268 A HA 0.819 5.147 4.320 0.014 0.000 0.292 268 A C -0.694 176.787 177.584 -0.172 0.000 1.066 268 A CA 0.231 52.176 52.037 -0.154 0.000 0.676 268 A CB 1.528 20.465 19.000 -0.105 0.000 1.277 268 A HN 0.564 nan 8.150 nan 0.000 0.413 269 S N -1.271 114.354 115.700 -0.126 0.000 2.565 269 S HA 0.822 5.300 4.470 0.014 0.000 0.269 269 S C -0.641 173.916 174.600 -0.071 0.000 1.153 269 S CA 0.171 58.307 58.200 -0.106 0.000 0.835 269 S CB 1.799 64.927 63.200 -0.121 0.000 1.122 269 S HN 2.320 nan 8.310 nan 0.000 0.462 270 G N 1.318 110.086 108.800 -0.054 0.000 2.719 270 G HA2 0.625 4.593 3.960 0.014 0.000 0.298 270 G HA3 0.625 4.593 3.960 0.014 0.000 0.298 270 G C -1.441 173.439 174.900 -0.034 0.000 1.411 270 G CA -0.357 44.715 45.100 -0.046 0.000 0.991 270 G HN 0.683 nan 8.290 nan 0.000 0.509 271 T N -0.079 114.459 114.554 -0.027 0.000 2.893 271 T HA 0.870 5.229 4.350 0.014 0.000 0.293 271 T C -0.281 174.385 174.700 -0.056 0.000 1.027 271 T CA -0.031 62.061 62.100 -0.014 0.000 0.988 271 T CB 1.862 70.758 68.868 0.047 0.000 1.043 271 T HN 1.562 nan 8.240 nan 0.000 0.461 272 A N 3.206 125.958 122.820 -0.113 0.000 2.612 272 A HA 0.915 5.243 4.320 0.014 0.000 0.293 272 A C -3.103 174.355 177.584 -0.210 0.000 1.075 272 A CA -1.574 50.383 52.037 -0.133 0.000 0.680 272 A CB 1.166 20.085 19.000 -0.135 0.000 1.279 272 A HN 0.537 nan 8.150 nan 0.000 0.411 273 P HA 0.529 nan 4.420 nan 0.000 0.276 273 P C -0.616 176.570 177.300 -0.190 0.000 1.261 273 P CA -0.258 62.756 63.100 -0.143 0.000 0.800 273 P CB 0.319 31.994 31.700 -0.042 0.000 1.066 274 F N -0.192 119.717 119.950 -0.069 0.000 2.450 274 F HA 0.481 5.017 4.527 0.014 0.000 0.339 274 F C 1.438 177.218 175.800 -0.032 0.000 1.146 274 F CA 1.457 59.426 58.000 -0.051 0.000 1.267 274 F CB 0.330 39.294 39.000 -0.060 0.000 1.178 274 F HN 0.563 nan 8.300 nan 0.000 0.585 275 G N 1.648 110.563 108.800 0.191 0.000 2.648 275 G HA2 0.348 4.317 3.960 0.014 0.000 0.317 275 G HA3 0.348 4.317 3.960 0.014 0.000 0.317 275 G C -0.449 174.499 174.900 0.080 0.000 1.216 275 G CA -0.724 44.446 45.100 0.117 0.000 1.210 275 G HN 1.037 nan 8.290 nan 0.000 0.583 276 G N 0.916 109.783 108.800 0.112 0.000 2.621 276 G HA2 0.637 4.605 3.960 0.014 0.000 0.271 276 G HA3 0.637 4.605 3.960 0.014 0.000 0.271 276 G C 0.425 175.366 174.900 0.068 0.000 1.236 276 G CA -0.289 44.866 45.100 0.092 0.000 0.958 276 G HN 0.822 nan 8.290 nan 0.000 0.512 277 E N -0.376 119.857 120.200 0.055 0.000 2.408 277 E HA 0.067 4.426 4.350 0.014 0.000 0.259 277 E C 0.262 176.885 176.600 0.039 0.000 1.110 277 E CA -0.365 56.057 56.400 0.036 0.000 0.929 277 E CB 0.954 30.672 29.700 0.029 0.000 0.971 277 E HN 0.312 nan 8.360 nan 0.000 0.438 278 I N 1.722 122.303 120.570 0.019 0.000 2.683 278 I HA -0.115 4.064 4.170 0.014 0.000 0.286 278 I C 1.428 177.553 176.117 0.013 0.000 1.175 278 I CA 0.420 61.723 61.300 0.005 0.000 1.429 278 I CB 0.144 38.143 38.000 -0.003 0.000 1.371 278 I HN 0.554 nan 8.210 nan 0.000 0.569 279 I N 1.451 122.023 120.570 0.004 0.000 4.323 279 I HA 0.321 4.499 4.170 0.014 0.000 0.328 279 I C -0.199 175.918 176.117 -0.001 0.000 1.310 279 I CA -0.020 61.291 61.300 0.018 0.000 1.186 279 I CB 0.478 38.514 38.000 0.060 0.000 1.130 279 I HN 0.606 nan 8.210 nan 0.000 0.411 280 D N -0.544 119.842 120.400 -0.023 0.000 2.851 280 D HA 0.162 4.811 4.640 0.014 0.000 0.339 280 D C 0.206 176.488 176.300 -0.029 0.000 1.347 280 D CA -0.523 53.464 54.000 -0.022 0.000 0.888 280 D CB 0.465 41.251 40.800 -0.023 0.000 1.431 280 D HN -0.134 nan 8.370 nan 0.000 0.509 281 E N -1.022 119.163 120.200 -0.025 0.000 2.331 281 E HA -0.046 4.313 4.350 0.014 0.000 0.199 281 E C 1.174 177.755 176.600 -0.033 0.000 1.008 281 E CA 0.941 57.326 56.400 -0.024 0.000 0.843 281 E CB -0.033 29.656 29.700 -0.019 0.000 0.761 281 E HN 0.212 nan 8.360 nan 0.000 0.507 282 R N -0.313 120.159 120.500 -0.048 0.000 2.359 282 R HA 0.306 4.654 4.340 0.014 0.000 0.231 282 R C 0.744 177.001 176.300 -0.072 0.000 0.913 282 R CA 0.646 56.711 56.100 -0.058 0.000 1.075 282 R CB 0.621 30.880 30.300 -0.070 0.000 1.087 282 R HN 0.205 nan 8.270 nan 0.000 0.515 283 G N -0.556 108.204 108.800 -0.067 0.000 2.408 283 G HA2 -0.107 3.861 3.960 0.014 0.000 0.204 283 G HA3 -0.107 3.861 3.960 0.014 0.000 0.204 283 G C -0.238 174.608 174.900 -0.090 0.000 1.186 283 G CA -0.620 44.440 45.100 -0.067 0.000 1.139 283 G HN 0.467 nan 8.290 nan 0.000 0.563 284 G N -2.096 106.646 108.800 -0.097 0.000 3.086 284 G HA2 0.639 4.607 3.960 0.014 0.000 0.282 284 G HA3 0.639 4.607 3.960 0.014 0.000 0.282 284 G C -1.585 173.213 174.900 -0.169 0.000 1.343 284 G CA -0.686 44.356 45.100 -0.096 0.000 0.895 284 G HN 0.796 nan 8.290 nan 0.000 0.557 285 Y N 1.183 121.493 120.300 0.017 0.000 2.504 285 Y HA 0.416 4.974 4.550 0.014 0.000 0.351 285 Y C 1.492 177.410 175.900 0.031 0.000 0.988 285 Y CA 0.226 58.338 58.100 0.021 0.000 1.239 285 Y CB 1.611 40.089 38.460 0.030 0.000 1.128 285 Y HN 0.542 nan 8.280 nan 0.000 0.525 286 A N 1.804 124.687 122.820 0.105 0.000 2.121 286 A HA -0.142 4.186 4.320 0.014 0.000 0.218 286 A C 1.359 179.001 177.584 0.098 0.000 1.154 286 A CA 1.380 53.467 52.037 0.083 0.000 0.679 286 A CB -0.289 18.719 19.000 0.014 0.000 0.795 286 A HN 0.787 nan 8.150 nan 0.000 0.458 287 D N -0.888 119.570 120.400 0.096 0.000 2.358 287 D HA 0.141 4.790 4.640 0.014 0.000 0.224 287 D C 0.506 176.886 176.300 0.134 0.000 1.123 287 D CA -0.043 53.932 54.000 -0.041 0.000 0.833 287 D CB -0.005 40.757 40.800 -0.063 0.000 0.946 287 D HN 0.410 nan 8.370 nan 0.000 0.505 288 R N -0.848 119.846 120.500 0.323 0.000 2.836 288 R HA 0.762 5.111 4.340 0.014 0.000 0.269 288 R C -1.565 174.887 176.300 0.254 0.000 1.010 288 R CA -1.172 55.109 56.100 0.302 0.000 0.930 288 R CB 2.969 33.315 30.300 0.077 0.000 1.218 288 R HN -0.024 nan 8.270 nan 0.000 0.473 289 V N 0.063 120.014 119.914 0.063 0.000 3.077 289 V HA 0.514 4.642 4.120 0.014 0.000 0.299 289 V C -1.580 174.466 176.094 -0.079 0.000 1.276 289 V CA -0.287 61.971 62.300 -0.070 0.000 0.993 289 V CB 2.782 34.427 31.823 -0.296 0.000 1.076 289 V HN 0.809 nan 8.190 nan 0.000 0.434 290 T N 7.077 121.592 114.554 -0.066 0.000 2.792 290 T HA 0.610 4.969 4.350 0.014 0.000 0.280 290 T C -0.983 173.679 174.700 -0.064 0.000 0.990 290 T CA -0.396 61.671 62.100 -0.055 0.000 0.960 290 T CB 1.080 69.929 68.868 -0.032 0.000 0.939 290 T HN 0.465 nan 8.240 nan 0.000 0.439 291 L N 3.496 124.681 121.223 -0.064 0.000 2.322 291 L HA 0.598 4.947 4.340 0.014 0.000 0.279 291 L C 0.417 177.257 176.870 -0.049 0.000 1.036 291 L CA -0.483 54.319 54.840 -0.063 0.000 0.807 291 L CB 1.482 43.501 42.059 -0.067 0.000 1.226 291 L HN 0.546 nan 8.230 nan 0.000 0.433 292 R N 3.076 123.548 120.500 -0.047 0.000 2.476 292 R HA 0.650 4.998 4.340 0.014 0.000 0.305 292 R C -1.412 174.861 176.300 -0.046 0.000 0.965 292 R CA -0.913 55.160 56.100 -0.045 0.000 0.867 292 R CB 2.140 32.414 30.300 -0.043 0.000 1.176 292 R HN 0.253 nan 8.270 nan 0.000 0.447 293 L N 2.654 123.850 121.223 -0.044 0.000 2.333 293 L HA 0.369 4.718 4.340 0.014 0.000 0.280 293 L C -0.289 176.553 176.870 -0.047 0.000 1.004 293 L CA -0.409 54.403 54.840 -0.046 0.000 0.820 293 L CB 1.829 43.866 42.059 -0.037 0.000 1.247 293 L HN 0.509 nan 8.230 nan 0.000 0.416 294 N N 1.459 120.126 118.700 -0.056 0.000 2.499 294 N HA 0.601 5.350 4.740 0.014 0.000 0.281 294 N C -1.216 174.247 175.510 -0.078 0.000 1.098 294 N CA -0.400 52.613 53.050 -0.062 0.000 0.979 294 N CB 1.550 40.003 38.487 -0.056 0.000 1.121 294 N HN 0.225 nan 8.380 nan 0.000 0.466 295 V N 1.972 121.826 119.914 -0.099 0.000 2.482 295 V HA 0.234 4.362 4.120 0.014 0.000 0.295 295 V C -0.361 175.646 176.094 -0.144 0.000 1.026 295 V CA -0.857 61.347 62.300 -0.161 0.000 0.856 295 V CB 1.485 33.126 31.823 -0.305 0.000 1.001 295 V HN 0.590 nan 8.190 nan 0.000 0.424 296 E N 2.848 122.986 120.200 -0.104 0.000 2.301 296 E HA 0.269 4.628 4.350 0.014 0.000 0.275 296 E C 0.255 176.823 176.600 -0.054 0.000 1.030 296 E CA -0.291 56.072 56.400 -0.061 0.000 0.852 296 E CB 0.602 30.278 29.700 -0.040 0.000 1.060 296 E HN 0.742 nan 8.360 nan 0.000 0.401 297 N N 1.313 120.006 118.700 -0.012 0.000 2.699 297 N HA -0.155 4.594 4.740 0.014 0.000 0.256 297 N C -2.463 173.047 175.510 -0.000 0.000 0.993 297 N CA 0.190 53.251 53.050 0.018 0.000 0.759 297 N CB -0.957 37.543 38.487 0.021 0.000 0.906 297 N HN 0.311 nan 8.380 nan 0.000 0.541 298 P HA 0.009 nan 4.420 nan 0.000 0.269 298 P C -0.381 176.953 177.300 0.056 0.000 1.209 298 P CA 0.261 63.274 63.100 -0.145 0.000 0.776 298 P CB 0.759 32.158 31.700 -0.502 0.000 0.876 299 K N 2.583 123.103 120.400 0.200 0.000 2.349 299 K HA 0.262 4.590 4.320 0.014 0.000 0.288 299 K C 0.183 176.949 176.600 0.277 0.000 1.058 299 K CA -0.287 56.117 56.287 0.195 0.000 0.953 299 K CB 0.169 32.749 32.500 0.133 0.000 0.997 299 K HN 0.440 nan 8.250 nan 0.000 0.477 300 L N 2.569 123.879 121.223 0.144 0.000 2.375 300 L HA 0.352 4.700 4.340 0.014 0.000 0.271 300 L C -0.065 176.871 176.870 0.109 0.000 1.107 300 L CA -0.931 53.990 54.840 0.136 0.000 0.806 300 L CB 0.492 42.473 42.059 -0.129 0.000 1.146 300 L HN 0.593 nan 8.230 nan 0.000 0.447 301 W N 2.936 124.253 121.300 0.030 0.000 2.438 301 W HA 0.525 5.193 4.660 0.012 0.000 0.324 301 W C -0.074 176.385 176.519 -0.100 0.000 1.119 301 W CA 0.091 57.441 57.345 0.007 0.000 1.221 301 W CB 1.397 30.916 29.460 0.098 0.000 1.253 301 W HN 0.633 nan 8.180 nan 0.000 0.555 302 S N 2.867 118.013 115.700 -0.923 0.000 2.643 302 S HA 0.623 5.102 4.470 0.014 0.000 0.270 302 S C 0.147 173.927 174.600 -1.368 0.000 1.166 302 S CA -0.377 57.302 58.200 -0.869 0.000 0.815 302 S CB 1.051 64.002 63.200 -0.415 0.000 1.139 302 S HN 1.014 nan 8.310 nan 0.000 0.472 303 A N 0.620 122.790 122.820 -1.083 0.000 1.972 303 A HA -0.000 4.328 4.320 0.014 0.000 0.219 303 A C 1.787 179.028 177.584 -0.572 0.000 1.169 303 A CA 1.677 53.118 52.037 -0.993 0.000 0.635 303 A CB -1.061 17.223 19.000 -1.193 0.000 0.810 303 A HN 0.880 nan 8.150 nan 0.000 0.446 304 E N -0.804 119.199 120.200 -0.327 0.000 2.072 304 E HA -0.004 4.354 4.350 0.014 0.000 0.191 304 E C -0.159 176.293 176.600 -0.246 0.000 0.985 304 E CA 0.797 57.072 56.400 -0.208 0.000 0.801 304 E CB -0.044 29.670 29.700 0.023 0.000 0.750 304 E HN 0.618 nan 8.360 nan 0.000 0.452 305 I N 1.661 122.058 120.570 -0.289 0.000 2.595 305 I HA 0.147 4.325 4.170 0.014 0.000 0.276 305 I C -2.473 173.413 176.117 -0.385 0.000 1.109 305 I CA -1.833 59.322 61.300 -0.242 0.000 1.084 305 I CB 2.166 40.080 38.000 -0.143 0.000 1.206 305 I HN -0.207 nan 8.210 nan 0.000 0.486 306 P HA 0.063 nan 4.420 nan 0.000 0.226 306 P C -0.550 176.709 177.300 -0.068 0.000 1.783 306 P CA -0.191 62.572 63.100 -0.561 0.000 0.980 306 P CB -0.276 31.249 31.700 -0.291 0.000 1.967 307 N N 1.642 120.337 118.700 -0.008 0.000 2.454 307 N HA 0.128 4.876 4.740 0.014 0.000 0.260 307 N C 0.140 175.852 175.510 0.337 0.000 1.218 307 N CA 0.477 53.601 53.050 0.124 0.000 0.904 307 N CB 0.783 39.337 38.487 0.111 0.000 1.065 307 N HN 0.307 nan 8.380 nan 0.000 0.462 308 L N 2.117 123.459 121.223 0.199 0.000 2.371 308 L HA 0.483 4.832 4.340 0.014 0.000 0.262 308 L C -0.860 176.095 176.870 0.141 0.000 1.006 308 L CA -0.850 54.163 54.840 0.289 0.000 0.818 308 L CB 1.361 43.559 42.059 0.232 0.000 1.354 308 L HN 0.394 nan 8.230 nan 0.000 0.415 309 Y N 0.080 120.529 120.300 0.248 0.000 2.650 309 Y HA 0.667 5.225 4.550 0.014 0.000 0.331 309 Y C -0.245 175.771 175.900 0.195 0.000 1.082 309 Y CA -0.853 57.393 58.100 0.244 0.000 1.171 309 Y CB 1.604 40.270 38.460 0.343 0.000 1.326 309 Y HN 0.367 nan 8.280 nan 0.000 0.513 310 R N 0.947 121.683 120.500 0.393 0.000 2.439 310 R HA 0.792 5.140 4.340 0.014 0.000 0.310 310 R C -1.631 174.851 176.300 0.303 0.000 0.955 310 R CA -0.502 55.752 56.100 0.258 0.000 0.853 310 R CB 1.061 31.443 30.300 0.137 0.000 1.171 310 R HN 0.737 nan 8.270 nan 0.000 0.449 311 A N 3.852 126.790 122.820 0.196 0.000 2.276 311 A HA 0.624 4.952 4.320 0.014 0.000 0.316 311 A C -1.015 176.613 177.584 0.073 0.000 1.229 311 A CA -0.629 51.502 52.037 0.157 0.000 0.851 311 A CB 1.248 20.308 19.000 0.099 0.000 1.165 311 A HN 0.489 nan 8.150 nan 0.000 0.513 312 V N 3.414 123.378 119.914 0.085 0.000 2.448 312 V HA 0.396 4.524 4.120 0.014 0.000 0.295 312 V C -0.392 175.662 176.094 -0.067 0.000 1.025 312 V CA -0.488 61.797 62.300 -0.026 0.000 0.859 312 V CB 1.664 33.485 31.823 -0.003 0.000 0.988 312 V HN 0.626 nan 8.190 nan 0.000 0.431 313 V N 4.846 124.647 119.914 -0.188 0.000 2.357 313 V HA 0.439 4.567 4.120 0.014 0.000 0.284 313 V C -0.099 175.923 176.094 -0.119 0.000 1.018 313 V CA -0.571 61.599 62.300 -0.217 0.000 0.841 313 V CB 1.361 32.880 31.823 -0.505 0.000 0.991 313 V HN 0.924 nan 8.190 nan 0.000 0.437 314 E N 3.835 124.022 120.200 -0.021 0.000 2.171 314 E HA 0.515 4.874 4.350 0.014 0.000 0.271 314 E C -1.093 175.586 176.600 0.131 0.000 0.916 314 E CA -0.887 55.551 56.400 0.064 0.000 0.774 314 E CB 2.500 32.261 29.700 0.103 0.000 1.128 314 E HN 0.456 nan 8.360 nan 0.000 0.403 315 L N 4.712 125.997 121.223 0.104 0.000 2.265 315 L HA 0.399 4.747 4.340 0.014 0.000 0.289 315 L C -0.998 175.966 176.870 0.158 0.000 1.033 315 L CA 0.069 54.967 54.840 0.097 0.000 0.814 315 L CB -0.129 41.979 42.059 0.081 0.000 1.203 315 L HN 0.695 nan 8.230 nan 0.000 0.423 316 H N 0.529 119.642 119.070 0.072 0.000 2.928 316 H HA 0.828 5.393 4.556 0.014 0.000 0.285 316 H C -0.783 174.617 175.328 0.120 0.000 1.438 316 H CA -0.426 55.667 56.048 0.075 0.000 1.176 316 H CB 0.862 30.647 29.762 0.039 0.000 1.864 316 H HN 0.473 nan 8.280 nan 0.000 0.567 317 T N -2.401 112.302 114.554 0.248 0.000 2.944 317 T HA 0.589 4.948 4.350 0.014 0.000 0.284 317 T C 1.311 176.154 174.700 0.237 0.000 1.010 317 T CA -0.412 61.816 62.100 0.212 0.000 1.025 317 T CB 1.582 70.527 68.868 0.129 0.000 1.079 317 T HN 0.955 nan 8.240 nan 0.000 0.516 318 A N 0.540 123.459 122.820 0.165 0.000 1.978 318 A HA -0.043 4.285 4.320 0.014 0.000 0.220 318 A C 1.804 179.465 177.584 0.130 0.000 1.170 318 A CA 1.400 53.521 52.037 0.140 0.000 0.636 318 A CB -0.800 18.264 19.000 0.105 0.000 0.810 318 A HN 0.912 nan 8.150 nan 0.000 0.448 319 D N -1.372 119.083 120.400 0.092 0.000 2.319 319 D HA 0.262 4.911 4.640 0.014 0.000 0.230 319 D C 1.197 177.527 176.300 0.050 0.000 1.094 319 D CA 0.984 55.014 54.000 0.050 0.000 0.856 319 D CB 0.168 40.973 40.800 0.008 0.000 0.915 319 D HN 0.607 nan 8.370 nan 0.000 0.517 320 G N 0.718 109.578 108.800 0.100 0.000 2.163 320 G HA2 -0.219 3.750 3.960 0.014 0.000 0.213 320 G HA3 -0.219 3.750 3.960 0.014 0.000 0.213 320 G C 0.502 175.429 174.900 0.044 0.000 0.991 320 G CA -0.124 45.007 45.100 0.050 0.000 0.653 320 G HN 0.252 nan 8.290 nan 0.000 0.518 321 T N 1.221 115.819 114.554 0.074 0.000 2.806 321 T HA 0.557 4.916 4.350 0.014 0.000 0.290 321 T C 0.153 174.916 174.700 0.104 0.000 0.966 321 T CA -0.237 61.898 62.100 0.057 0.000 1.060 321 T CB 1.875 70.760 68.868 0.028 0.000 0.927 321 T HN 0.576 nan 8.240 nan 0.000 0.485 322 L N 4.519 125.786 121.223 0.074 0.000 2.331 322 L HA 0.426 4.775 4.340 0.014 0.000 0.278 322 L C 0.677 177.601 176.870 0.089 0.000 1.106 322 L CA 0.308 55.207 54.840 0.098 0.000 0.824 322 L CB 0.257 42.347 42.059 0.052 0.000 1.142 322 L HN 0.726 nan 8.230 nan 0.000 0.443 323 I N 2.592 123.224 120.570 0.102 0.000 2.556 323 I HA 0.126 4.304 4.170 0.014 0.000 0.251 323 I C 0.219 176.357 176.117 0.035 0.000 1.105 323 I CA 0.453 61.793 61.300 0.066 0.000 1.436 323 I CB 0.200 38.245 38.000 0.075 0.000 1.139 323 I HN 0.820 nan 8.210 nan 0.000 0.438 324 E N -0.150 120.072 120.200 0.036 0.000 2.417 324 E HA 0.700 5.059 4.350 0.014 0.000 0.280 324 E C -1.467 175.150 176.600 0.027 0.000 1.112 324 E CA -1.102 55.309 56.400 0.018 0.000 0.863 324 E CB 1.494 31.167 29.700 -0.045 0.000 1.346 324 E HN -0.049 nan 8.360 nan 0.000 0.443 325 A N 0.878 123.734 122.820 0.060 0.000 2.475 325 A HA 0.731 5.060 4.320 0.014 0.000 0.301 325 A C -1.049 176.614 177.584 0.132 0.000 1.059 325 A CA -0.717 51.354 52.037 0.056 0.000 0.710 325 A CB 1.748 20.782 19.000 0.057 0.000 1.288 325 A HN 0.506 nan 8.150 nan 0.000 0.408 326 E N -0.524 119.685 120.200 0.015 0.000 2.378 326 E HA 0.841 5.200 4.350 0.014 0.000 0.265 326 E C -0.588 176.025 176.600 0.021 0.000 0.932 326 E CA -0.554 55.913 56.400 0.113 0.000 0.795 326 E CB 2.404 32.083 29.700 -0.035 0.000 1.296 326 E HN 1.258 nan 8.360 nan 0.000 0.438 327 A N -0.105 122.856 122.820 0.235 0.000 2.586 327 A HA 0.686 5.014 4.320 0.014 0.000 0.291 327 A C -1.177 176.595 177.584 0.313 0.000 1.062 327 A CA -0.426 51.669 52.037 0.096 0.000 0.666 327 A CB 0.713 19.651 19.000 -0.104 0.000 1.281 327 A HN 0.852 nan 8.150 nan 0.000 0.421 328 C N -0.408 119.028 119.300 0.228 0.000 3.288 328 C HA 0.826 5.295 4.460 0.014 0.000 0.318 328 C C -1.282 173.800 174.990 0.154 0.000 1.356 328 C CA -0.900 58.261 59.018 0.238 0.000 1.359 328 C CB 1.126 29.039 27.740 0.288 0.000 1.688 328 C HN 0.824 nan 8.230 nan 0.000 0.467 329 D N 0.972 121.450 120.400 0.130 0.000 2.302 329 D HA 0.563 5.211 4.640 0.014 0.000 0.248 329 D C -0.363 175.993 176.300 0.093 0.000 1.094 329 D CA 0.154 54.232 54.000 0.129 0.000 0.897 329 D CB 1.813 42.692 40.800 0.132 0.000 1.200 329 D HN 0.558 nan 8.370 nan 0.000 0.429 330 V N 1.022 121.016 119.914 0.132 0.000 2.540 330 V HA 0.661 4.790 4.120 0.014 0.000 0.302 330 V C 0.521 176.687 176.094 0.121 0.000 1.035 330 V CA -0.855 61.470 62.300 0.041 0.000 0.873 330 V CB 2.067 33.895 31.823 0.008 0.000 0.992 330 V HN 0.604 nan 8.190 nan 0.000 0.428 331 G N 3.072 111.843 108.800 -0.047 0.000 2.422 331 G HA2 0.605 4.574 3.960 0.014 0.000 0.317 331 G HA3 0.605 4.574 3.960 0.014 0.000 0.317 331 G C -1.004 173.967 174.900 0.117 0.000 1.210 331 G CA -0.380 44.780 45.100 0.100 0.000 0.930 331 G HN 0.430 nan 8.290 nan 0.000 0.468 332 F N 3.985 124.132 119.950 0.329 0.000 2.462 332 F HA 0.428 4.963 4.527 0.013 0.000 0.360 332 F C 1.151 177.185 175.800 0.390 0.000 1.134 332 F CA -0.095 58.150 58.000 0.408 0.000 1.148 332 F CB 0.708 39.971 39.000 0.438 0.000 1.147 332 F HN 0.438 nan 8.300 nan 0.000 0.550 333 R N 3.179 123.950 120.500 0.452 0.000 2.680 333 R HA 0.437 4.786 4.340 0.014 0.000 0.269 333 R C -1.803 174.650 176.300 0.253 0.000 1.026 333 R CA -0.800 55.422 56.100 0.203 0.000 0.889 333 R CB 1.690 32.150 30.300 0.267 0.000 1.241 333 R HN 0.598 nan 8.270 nan 0.000 0.463 334 E N 2.086 122.350 120.200 0.106 0.000 2.183 334 E HA 0.487 4.846 4.350 0.014 0.000 0.271 334 E C -1.264 175.414 176.600 0.129 0.000 0.919 334 E CA -0.953 55.591 56.400 0.242 0.000 0.781 334 E CB 2.199 32.103 29.700 0.341 0.000 1.140 334 E HN 0.394 nan 8.360 nan 0.000 0.402 335 V N 5.319 125.302 119.914 0.116 0.000 2.487 335 V HA 0.570 4.699 4.120 0.014 0.000 0.298 335 V C -0.267 175.871 176.094 0.072 0.000 1.028 335 V CA -0.630 61.707 62.300 0.062 0.000 0.860 335 V CB 1.293 33.129 31.823 0.022 0.000 0.991 335 V HN 0.746 nan 8.190 nan 0.000 0.427 336 R N 4.190 124.729 120.500 0.065 0.000 2.710 336 R HA 0.732 5.081 4.340 0.014 0.000 0.270 336 R C -2.051 174.278 176.300 0.049 0.000 1.021 336 R CA -0.946 55.194 56.100 0.066 0.000 0.889 336 R CB 1.995 32.348 30.300 0.088 0.000 1.243 336 R HN 0.501 nan 8.270 nan 0.000 0.464 337 I N 1.164 121.763 120.570 0.047 0.000 2.339 337 I HA 0.359 4.538 4.170 0.014 0.000 0.290 337 I C -0.618 175.523 176.117 0.041 0.000 0.994 337 I CA -0.388 60.934 61.300 0.037 0.000 1.191 337 I CB 1.845 39.868 38.000 0.039 0.000 1.343 337 I HN 0.703 nan 8.210 nan 0.000 0.458 338 E N 5.767 125.988 120.200 0.035 0.000 2.290 338 E HA 0.273 4.631 4.350 0.014 0.000 0.274 338 E C -0.294 176.322 176.600 0.028 0.000 0.889 338 E CA -0.537 55.885 56.400 0.037 0.000 0.760 338 E CB 1.077 30.804 29.700 0.046 0.000 1.206 338 E HN 0.527 nan 8.360 nan 0.000 0.419 339 N N 2.900 121.616 118.700 0.026 0.000 2.714 339 N HA -0.228 4.520 4.740 0.014 0.000 0.250 339 N C 0.465 175.984 175.510 0.015 0.000 1.117 339 N CA 2.137 55.199 53.050 0.020 0.000 0.719 339 N CB -1.158 37.340 38.487 0.018 0.000 1.081 339 N HN 0.991 nan 8.380 nan 0.000 0.557 340 G N -2.352 106.458 108.800 0.016 0.000 2.175 340 G HA2 -0.277 3.691 3.960 0.014 0.000 0.244 340 G HA3 -0.277 3.691 3.960 0.014 0.000 0.244 340 G C -0.108 174.792 174.900 -0.001 0.000 0.982 340 G CA 0.432 45.538 45.100 0.010 0.000 0.641 340 G HN 0.435 nan 8.290 nan 0.000 0.527 341 L N 0.286 121.508 121.223 -0.000 0.000 2.346 341 L HA 0.702 5.050 4.340 0.014 0.000 0.276 341 L C 0.108 176.972 176.870 -0.010 0.000 1.006 341 L CA -1.332 53.501 54.840 -0.013 0.000 0.817 341 L CB 1.877 43.928 42.059 -0.013 0.000 1.272 341 L HN 0.096 nan 8.230 nan 0.000 0.421 342 L N 4.594 125.799 121.223 -0.029 0.000 2.315 342 L HA 0.400 4.748 4.340 0.014 0.000 0.283 342 L C -0.803 176.048 176.870 -0.031 0.000 1.089 342 L CA 0.448 55.271 54.840 -0.029 0.000 0.833 342 L CB 0.159 42.186 42.059 -0.053 0.000 1.170 342 L HN 0.380 nan 8.230 nan 0.000 0.442 343 L N 6.043 127.264 121.223 -0.003 0.000 2.334 343 L HA 0.541 4.889 4.340 0.014 0.000 0.276 343 L C -0.734 176.147 176.870 0.019 0.000 1.014 343 L CA -0.769 54.079 54.840 0.013 0.000 0.815 343 L CB 1.854 43.942 42.059 0.048 0.000 1.268 343 L HN 0.544 nan 8.230 nan 0.000 0.428 344 L N 4.026 125.271 121.223 0.036 0.000 2.343 344 L HA 0.482 4.830 4.340 0.014 0.000 0.278 344 L C -0.226 176.662 176.870 0.031 0.000 0.996 344 L CA -0.089 54.777 54.840 0.044 0.000 0.831 344 L CB 0.876 42.964 42.059 0.048 0.000 1.232 344 L HN 0.619 nan 8.230 nan 0.000 0.413 345 N N 4.046 122.633 118.700 -0.188 0.000 2.721 345 N HA -0.223 4.526 4.740 0.014 0.000 0.249 345 N C 0.922 176.114 175.510 -0.531 0.000 1.072 345 N CA 1.281 53.895 53.050 -0.727 0.000 0.710 345 N CB -1.362 36.590 38.487 -0.892 0.000 0.993 345 N HN 1.168 nan 8.380 nan 0.000 0.547 346 G N -2.037 106.727 108.800 -0.060 0.000 2.184 346 G HA2 -0.359 3.609 3.960 0.014 0.000 0.264 346 G HA3 -0.359 3.609 3.960 0.014 0.000 0.264 346 G C -0.022 174.913 174.900 0.059 0.000 0.975 346 G CA 0.960 46.124 45.100 0.106 0.000 0.642 346 G HN 0.424 nan 8.290 nan 0.000 0.536 347 K N 0.666 121.096 120.400 0.051 0.000 2.203 347 K HA 0.557 4.885 4.320 0.014 0.000 0.251 347 K C -2.793 173.791 176.600 -0.027 0.000 0.944 347 K CA -2.230 54.048 56.287 -0.016 0.000 0.829 347 K CB 2.388 34.806 32.500 -0.138 0.000 1.125 347 K HN 0.029 nan 8.250 nan 0.000 0.430 348 P HA 0.236 nan 4.420 nan 0.000 0.282 348 P C -0.075 177.171 177.300 -0.089 0.000 1.262 348 P CA -0.286 62.776 63.100 -0.062 0.000 0.773 348 P CB 0.536 32.198 31.700 -0.063 0.000 0.879 349 L N 3.188 124.353 121.223 -0.097 0.000 2.464 349 L HA 0.284 4.632 4.340 0.014 0.000 0.264 349 L C 0.629 177.424 176.870 -0.125 0.000 1.199 349 L CA -0.521 54.252 54.840 -0.112 0.000 0.818 349 L CB 0.234 42.182 42.059 -0.185 0.000 1.102 349 L HN 0.262 nan 8.230 nan 0.000 0.473 350 L N 3.383 124.547 121.223 -0.098 0.000 2.442 350 L HA 0.411 4.760 4.340 0.014 0.000 0.261 350 L C -0.577 176.245 176.870 -0.080 0.000 1.000 350 L CA -0.181 54.580 54.840 -0.131 0.000 0.882 350 L CB 0.830 42.841 42.059 -0.081 0.000 1.207 350 L HN 0.246 nan 8.230 nan 0.000 0.443 351 I N 4.745 125.198 120.570 -0.195 0.000 2.421 351 I HA 0.191 4.370 4.170 0.014 0.000 0.291 351 I C 0.633 176.715 176.117 -0.059 0.000 1.089 351 I CA 0.223 61.422 61.300 -0.169 0.000 1.354 351 I CB 0.474 38.243 38.000 -0.386 0.000 1.413 351 I HN 0.561 nan 8.210 nan 0.000 0.513 352 R N 4.800 125.354 120.500 0.090 0.000 3.570 352 R HA 0.397 4.746 4.340 0.014 0.000 0.233 352 R C 0.561 177.000 176.300 0.232 0.000 1.492 352 R CA -0.268 55.925 56.100 0.154 0.000 1.504 352 R CB 0.620 30.828 30.300 -0.154 0.000 1.314 352 R HN 0.752 nan 8.270 nan 0.000 0.687 353 G N 0.093 108.992 108.800 0.165 0.000 2.461 353 G HA2 0.546 4.515 3.960 0.014 0.000 0.329 353 G HA3 0.546 4.515 3.960 0.014 0.000 0.329 353 G C -1.241 173.957 174.900 0.497 0.000 1.170 353 G CA -0.422 44.734 45.100 0.093 0.000 0.935 353 G HN 0.218 nan 8.290 nan 0.000 0.492 354 V N 0.344 120.509 119.914 0.418 0.000 2.971 354 V HA 0.474 4.603 4.120 0.014 0.000 0.309 354 V C -1.039 175.173 176.094 0.196 0.000 1.130 354 V CA -1.229 61.191 62.300 0.199 0.000 0.964 354 V CB 2.198 33.826 31.823 -0.325 0.000 1.029 354 V HN 0.764 nan 8.190 nan 0.000 0.427 355 N N 4.277 123.009 118.700 0.053 0.000 2.518 355 N HA 0.457 5.205 4.740 0.014 0.000 0.283 355 N C -0.766 174.537 175.510 -0.345 0.000 1.119 355 N CA -0.324 52.626 53.050 -0.167 0.000 0.983 355 N CB 1.577 39.893 38.487 -0.285 0.000 1.139 355 N HN 0.641 nan 8.380 nan 0.000 0.465 356 R N 1.918 122.187 120.500 -0.385 0.000 2.514 356 R HA 0.232 4.580 4.340 0.014 0.000 0.296 356 R C -0.972 175.077 176.300 -0.419 0.000 1.012 356 R CA -0.555 55.340 56.100 -0.341 0.000 0.897 356 R CB 0.951 31.043 30.300 -0.347 0.000 1.184 356 R HN 0.586 nan 8.270 nan 0.000 0.440 357 H N 2.063 120.986 119.070 -0.246 0.000 2.508 357 H HA 0.136 4.701 4.556 0.015 0.000 0.358 357 H C -0.496 174.833 175.328 0.001 0.000 1.212 357 H CA 0.004 56.010 56.048 -0.070 0.000 1.356 357 H CB 1.477 31.265 29.762 0.043 0.000 1.525 357 H HN 0.557 nan 8.280 nan 0.000 0.578 358 E N 1.771 122.156 120.200 0.308 0.000 1.963 358 E HA 0.097 4.455 4.350 0.014 0.000 0.274 358 E C -0.756 175.982 176.600 0.231 0.000 1.061 358 E CA -0.031 56.471 56.400 0.170 0.000 0.847 358 E CB 0.209 30.038 29.700 0.216 0.000 1.083 358 E HN 0.372 nan 8.360 nan 0.000 0.402 359 H N 1.650 120.778 119.070 0.098 0.000 2.894 359 H HA 0.296 4.860 4.556 0.014 0.000 0.367 359 H C -1.643 173.739 175.328 0.090 0.000 1.144 359 H CA -0.666 55.437 56.048 0.092 0.000 1.180 359 H CB 1.162 30.969 29.762 0.074 0.000 1.758 359 H HN 0.380 nan 8.280 nan 0.000 0.541 360 H N 5.779 124.411 119.070 -0.729 0.000 2.759 360 H HA 0.214 4.779 4.556 0.014 0.000 0.354 360 H C -2.359 172.605 175.328 -0.606 0.000 1.074 360 H CA -2.343 53.443 56.048 -0.438 0.000 1.226 360 H CB 2.747 32.391 29.762 -0.197 0.000 1.648 360 H HN 0.529 nan 8.280 nan 0.000 0.529 361 P HA -0.067 nan 4.420 nan 0.000 0.220 361 P C 1.120 178.342 177.300 -0.130 0.000 1.148 361 P CA 0.862 63.846 63.100 -0.193 0.000 0.803 361 P CB 0.748 32.363 31.700 -0.143 0.000 0.782 362 L N -2.156 119.078 121.223 0.018 0.000 2.388 362 L HA 0.154 4.502 4.340 0.014 0.000 0.209 362 L C 2.074 178.729 176.870 -0.358 0.000 1.061 362 L CA 0.591 55.308 54.840 -0.205 0.000 0.834 362 L CB -0.828 41.003 42.059 -0.380 0.000 1.029 362 L HN -0.009 nan 8.230 nan 0.000 0.473 363 H N -0.194 118.821 119.070 -0.092 0.000 2.551 363 H HA 0.330 4.895 4.556 0.014 0.000 0.271 363 H C 1.413 176.624 175.328 -0.195 0.000 0.984 363 H CA 0.240 56.146 56.048 -0.237 0.000 1.164 363 H CB 0.554 30.072 29.762 -0.408 0.000 1.437 363 H HN 0.372 nan 8.280 nan 0.000 0.550 364 G N 1.393 110.092 108.800 -0.167 0.000 2.552 364 G HA2 -0.365 3.604 3.960 0.014 0.000 0.267 364 G HA3 -0.365 3.604 3.960 0.014 0.000 0.267 364 G C 0.561 175.368 174.900 -0.155 0.000 1.174 364 G CA 0.233 45.194 45.100 -0.231 0.000 0.955 364 G HN 0.436 nan 8.290 nan 0.000 0.546 365 Q N -0.051 119.693 119.800 -0.093 0.000 2.188 365 Q HA 0.475 4.823 4.340 0.014 0.000 0.212 365 Q C 0.187 176.292 176.000 0.175 0.000 0.846 365 Q CA -0.135 55.667 55.803 -0.002 0.000 0.989 365 Q CB 1.340 29.972 28.738 -0.177 0.000 1.114 365 Q HN 0.372 nan 8.270 nan 0.000 0.488 366 V N 2.059 122.043 119.914 0.117 0.000 2.461 366 V HA 0.206 4.334 4.120 0.014 0.000 0.275 366 V C 0.160 176.298 176.094 0.074 0.000 1.047 366 V CA 0.070 62.441 62.300 0.119 0.000 0.955 366 V CB 0.967 32.796 31.823 0.010 0.000 0.988 366 V HN 0.327 nan 8.190 nan 0.000 0.471 367 M N 4.688 124.332 119.600 0.073 0.000 2.472 367 M HA 0.508 4.996 4.480 0.014 0.000 0.331 367 M C -0.542 175.698 176.300 -0.101 0.000 1.170 367 M CA -0.606 54.688 55.300 -0.011 0.000 1.009 367 M CB 1.661 34.217 32.600 -0.073 0.000 1.672 367 M HN 0.931 nan 8.290 nan 0.000 0.453 368 D N -1.268 119.086 120.400 -0.077 0.000 2.601 368 D HA 0.257 4.905 4.640 0.014 0.000 0.230 368 D C 0.385 176.660 176.300 -0.042 0.000 1.106 368 D CA -0.695 53.263 54.000 -0.069 0.000 0.873 368 D CB 1.490 42.278 40.800 -0.020 0.000 1.515 368 D HN 0.693 nan 8.370 nan 0.000 0.468 369 E N 0.132 120.319 120.200 -0.022 0.000 2.085 369 E HA -0.346 4.013 4.350 0.014 0.000 0.194 369 E C 1.607 178.249 176.600 0.069 0.000 0.994 369 E CA 1.316 57.733 56.400 0.029 0.000 0.801 369 E CB 0.105 29.838 29.700 0.056 0.000 0.743 369 E HN 0.617 nan 8.360 nan 0.000 0.453 370 Q N -0.317 119.527 119.800 0.072 0.000 2.096 370 Q HA -0.156 4.192 4.340 0.014 0.000 0.204 370 Q C 2.007 178.068 176.000 0.102 0.000 0.982 370 Q CA 2.042 57.898 55.803 0.089 0.000 0.850 370 Q CB -0.035 28.758 28.738 0.091 0.000 0.901 370 Q HN 0.316 nan 8.270 nan 0.000 0.422 371 T N 0.873 115.495 114.554 0.113 0.000 2.777 371 T HA -0.099 4.260 4.350 0.014 0.000 0.266 371 T C 1.868 176.641 174.700 0.121 0.000 1.040 371 T CA 1.317 63.495 62.100 0.130 0.000 1.141 371 T CB -0.114 68.860 68.868 0.178 0.000 0.868 371 T HN 0.292 nan 8.240 nan 0.000 0.444 372 M N 0.497 120.171 119.600 0.123 0.000 2.117 372 M HA -0.095 4.393 4.480 0.014 0.000 0.262 372 M C 2.454 178.877 176.300 0.206 0.000 1.065 372 M CA 1.305 56.748 55.300 0.238 0.000 1.114 372 M CB -0.589 32.188 32.600 0.295 0.000 1.361 372 M HN 0.101 nan 8.290 nan 0.000 0.408 373 V N 0.334 120.310 119.914 0.103 0.000 2.295 373 V HA -0.315 3.813 4.120 0.014 0.000 0.246 373 V C 2.345 178.425 176.094 -0.024 0.000 1.049 373 V CA 2.188 64.484 62.300 -0.006 0.000 1.024 373 V CB -0.873 30.988 31.823 0.062 0.000 0.648 373 V HN 0.567 nan 8.190 nan 0.000 0.447 374 Q N -0.328 119.506 119.800 0.057 0.000 2.061 374 Q HA -0.289 4.060 4.340 0.014 0.000 0.204 374 Q C 1.969 178.029 176.000 0.101 0.000 0.984 374 Q CA 2.307 58.158 55.803 0.080 0.000 0.846 374 Q CB -0.175 28.628 28.738 0.108 0.000 0.902 374 Q HN 0.623 nan 8.270 nan 0.000 0.421 375 D N 0.252 120.726 120.400 0.123 0.000 2.097 375 D HA -0.137 4.512 4.640 0.014 0.000 0.195 375 D C 1.933 178.179 176.300 -0.090 0.000 0.989 375 D CA 1.189 55.254 54.000 0.109 0.000 0.827 375 D CB -0.196 40.639 40.800 0.058 0.000 0.966 375 D HN 0.359 nan 8.370 nan 0.000 0.456 376 I N 0.592 121.108 120.570 -0.090 0.000 2.226 376 I HA -0.228 3.951 4.170 0.014 0.000 0.245 376 I C 2.420 178.390 176.117 -0.244 0.000 1.100 376 I CA 0.615 61.757 61.300 -0.265 0.000 1.374 376 I CB -0.099 37.612 38.000 -0.482 0.000 1.057 376 I HN 0.001 nan 8.210 nan 0.000 0.413 377 L N 0.045 121.158 121.223 -0.184 0.000 2.046 377 L HA -0.222 4.127 4.340 0.014 0.000 0.208 377 L C 2.526 179.448 176.870 0.087 0.000 1.077 377 L CA 1.372 56.191 54.840 -0.034 0.000 0.747 377 L CB -0.500 41.567 42.059 0.013 0.000 0.896 377 L HN 0.299 nan 8.230 nan 0.000 0.432 378 L N -1.043 120.252 121.223 0.119 0.000 2.093 378 L HA -0.220 4.128 4.340 0.014 0.000 0.208 378 L C 2.646 179.665 176.870 0.248 0.000 1.085 378 L CA 1.161 56.157 54.840 0.260 0.000 0.755 378 L CB -0.278 42.054 42.059 0.456 0.000 0.904 378 L HN 0.284 nan 8.230 nan 0.000 0.435 379 M N -0.582 118.979 119.600 -0.064 0.000 2.086 379 M HA -0.238 4.250 4.480 0.014 0.000 0.261 379 M C 2.268 178.650 176.300 0.137 0.000 1.067 379 M CA 1.888 57.091 55.300 -0.162 0.000 1.116 379 M CB -0.301 31.969 32.600 -0.549 0.000 1.348 379 M HN 0.056 nan 8.290 nan 0.000 0.407 380 K N -0.113 120.273 120.400 -0.023 0.000 2.097 380 K HA -0.156 4.173 4.320 0.014 0.000 0.205 380 K C 1.976 178.580 176.600 0.007 0.000 1.050 380 K CA 1.215 57.392 56.287 -0.183 0.000 0.938 380 K CB -0.180 32.010 32.500 -0.517 0.000 0.718 380 K HN 0.431 nan 8.250 nan 0.000 0.442 381 Q N 0.348 120.300 119.800 0.255 0.000 2.364 381 Q HA -0.037 4.312 4.340 0.014 0.000 0.207 381 Q C 0.716 177.008 176.000 0.486 0.000 0.970 381 Q CA 0.705 56.755 55.803 0.411 0.000 0.888 381 Q CB 0.164 29.115 28.738 0.355 0.000 0.951 381 Q HN 0.255 nan 8.270 nan 0.000 0.469 382 N N 0.636 119.576 118.700 0.402 0.000 2.321 382 N HA 0.056 4.804 4.740 0.014 0.000 0.242 382 N C -0.658 174.939 175.510 0.144 0.000 1.141 382 N CA 0.029 53.303 53.050 0.374 0.000 0.864 382 N CB 0.688 39.477 38.487 0.504 0.000 1.100 382 N HN 0.156 nan 8.380 nan 0.000 0.510 383 N N 0.168 118.968 118.700 0.168 0.000 2.776 383 N HA -0.189 4.559 4.740 0.014 0.000 0.250 383 N C -0.823 174.611 175.510 -0.127 0.000 1.112 383 N CA 0.793 53.906 53.050 0.105 0.000 0.733 383 N CB -1.731 36.758 38.487 0.002 0.000 1.097 383 N HN 0.252 nan 8.380 nan 0.000 0.558 384 F N 1.151 121.126 119.950 0.041 0.000 2.375 384 F HA 0.285 4.820 4.527 0.014 0.000 0.333 384 F C 1.787 177.581 175.800 -0.011 0.000 1.104 384 F CA -0.516 57.487 58.000 0.005 0.000 1.149 384 F CB 0.745 39.721 39.000 -0.038 0.000 1.190 384 F HN 0.054 nan 8.300 nan 0.000 0.533 385 N N 0.677 119.491 118.700 0.189 0.000 2.160 385 N HA 0.455 5.203 4.740 0.014 0.000 0.226 385 N C -0.908 174.647 175.510 0.075 0.000 1.256 385 N CA -0.020 53.068 53.050 0.063 0.000 0.890 385 N CB 0.758 39.325 38.487 0.134 0.000 1.116 385 N HN 0.496 nan 8.380 nan 0.000 0.517 386 A N -0.595 122.340 122.820 0.192 0.000 2.604 386 A HA 0.725 5.053 4.320 0.014 0.000 0.295 386 A C -1.843 175.957 177.584 0.360 0.000 1.067 386 A CA -0.661 51.554 52.037 0.296 0.000 0.683 386 A CB 1.683 20.868 19.000 0.308 0.000 1.281 386 A HN 0.246 nan 8.150 nan 0.000 0.407 387 V N 1.215 121.398 119.914 0.449 0.000 2.841 387 V HA 0.827 4.955 4.120 0.014 0.000 0.310 387 V C -0.634 175.622 176.094 0.269 0.000 1.090 387 V CA -0.711 61.810 62.300 0.368 0.000 0.930 387 V CB 1.914 33.880 31.823 0.238 0.000 1.014 387 V HN 1.140 nan 8.190 nan 0.000 0.425 388 R N 4.744 125.248 120.500 0.007 0.000 2.393 388 R HA 0.501 4.850 4.340 0.014 0.000 0.310 388 R C -0.821 175.346 176.300 -0.222 0.000 0.968 388 R CA -0.466 55.450 56.100 -0.306 0.000 0.867 388 R CB 1.184 31.089 30.300 -0.658 0.000 1.124 388 R HN 0.806 nan 8.270 nan 0.000 0.450 389 C N 4.446 123.642 119.300 -0.173 0.000 2.896 389 C HA 0.137 4.605 4.460 0.014 0.000 0.499 389 C C 0.394 175.117 174.990 -0.444 0.000 1.022 389 C CA -0.449 58.419 59.018 -0.251 0.000 1.127 389 C CB -2.011 25.697 27.740 -0.053 0.000 1.452 389 C HN 0.720 nan 8.230 nan 0.000 0.580 390 S N 1.560 116.874 115.700 -0.642 0.000 2.481 390 S HA 0.224 4.703 4.470 0.014 0.000 0.276 390 S C -0.150 173.582 174.600 -1.445 0.000 1.247 390 S CA 0.018 57.603 58.200 -1.024 0.000 1.053 390 S CB 0.206 62.715 63.200 -1.151 0.000 0.925 390 S HN 0.732 nan 8.310 nan 0.000 0.491 391 H N 3.507 121.971 119.070 -1.010 0.000 2.511 391 H HA 0.314 4.878 4.556 0.014 0.000 0.228 391 H C -1.238 173.977 175.328 -0.188 0.000 1.424 391 H CA -0.352 55.493 56.048 -0.338 0.000 1.321 391 H CB -0.126 29.639 29.762 0.005 0.000 1.720 391 H HN 0.885 nan 8.280 nan 0.000 0.512 392 Y N -2.880 117.529 120.300 0.183 0.000 2.687 392 Y HA 0.383 4.942 4.550 0.015 0.000 0.338 392 Y C -3.294 172.716 175.900 0.184 0.000 1.189 392 Y CA -3.091 55.123 58.100 0.189 0.000 1.097 392 Y CB -0.003 38.574 38.460 0.194 0.000 1.342 392 Y HN -0.081 nan 8.280 nan 0.000 0.461 393 P HA 0.113 nan 4.420 nan 0.000 0.266 393 P C -0.570 177.019 177.300 0.481 0.000 1.195 393 P CA 0.280 63.630 63.100 0.416 0.000 0.768 393 P CB 0.551 32.427 31.700 0.293 0.000 0.838 394 N N 0.565 119.560 118.700 0.491 0.000 2.447 394 N HA 0.095 4.843 4.740 0.014 0.000 0.271 394 N C 0.097 175.845 175.510 0.396 0.000 1.226 394 N CA -0.612 52.643 53.050 0.342 0.000 0.980 394 N CB 0.364 38.856 38.487 0.007 0.000 1.206 394 N HN 0.597 nan 8.380 nan 0.000 0.558 395 H N 2.221 121.392 119.070 0.169 0.000 3.064 395 H HA -0.008 4.557 4.556 0.014 0.000 0.329 395 H C -1.606 173.881 175.328 0.265 0.000 1.020 395 H CA -0.671 55.463 56.048 0.144 0.000 1.402 395 H CB 1.002 30.814 29.762 0.083 0.000 1.379 395 H HN 0.436 nan 8.280 nan 0.000 0.594 396 P HA -0.207 nan 4.420 nan 0.000 0.217 396 P C 1.788 179.393 177.300 0.508 0.000 1.148 396 P CA 0.718 64.046 63.100 0.379 0.000 0.828 396 P CB 0.234 32.016 31.700 0.137 0.000 0.783 397 L N -0.975 120.637 121.223 0.648 0.000 2.265 397 L HA -0.037 4.311 4.340 0.014 0.000 0.215 397 L C 2.372 179.421 176.870 0.298 0.000 1.117 397 L CA 1.298 56.387 54.840 0.415 0.000 0.782 397 L CB -1.483 40.766 42.059 0.315 0.000 0.914 397 L HN 0.027 nan 8.230 nan 0.000 0.441 398 W N -0.628 120.704 121.300 0.054 0.000 2.342 398 W HA -0.310 4.358 4.660 0.013 0.000 0.297 398 W C 1.952 178.312 176.519 -0.265 0.000 1.213 398 W CA 1.676 58.913 57.345 -0.181 0.000 1.251 398 W CB -0.273 28.976 29.460 -0.352 0.000 1.136 398 W HN 0.274 nan 8.180 nan 0.000 0.526 399 Y N 0.662 120.883 120.300 -0.133 0.000 2.242 399 Y HA -0.197 4.361 4.550 0.014 0.000 0.291 399 Y C 2.843 178.510 175.900 -0.388 0.000 1.137 399 Y CA 2.130 59.935 58.100 -0.492 0.000 1.181 399 Y CB -1.180 36.633 38.460 -1.080 0.000 0.989 399 Y HN -0.241 nan 8.280 nan 0.000 0.527 400 T N 0.650 115.214 114.554 0.017 0.000 2.746 400 T HA -0.142 4.216 4.350 0.014 0.000 0.267 400 T C 1.987 176.726 174.700 0.066 0.000 1.039 400 T CA 1.299 63.490 62.100 0.151 0.000 1.142 400 T CB -0.496 68.505 68.868 0.222 0.000 0.866 400 T HN 0.231 nan 8.240 nan 0.000 0.444 401 L N 0.303 121.517 121.223 -0.015 0.000 2.056 401 L HA -0.088 4.261 4.340 0.014 0.000 0.207 401 L C 2.880 179.716 176.870 -0.057 0.000 1.078 401 L CA 0.924 55.773 54.840 0.016 0.000 0.749 401 L CB -0.725 41.305 42.059 -0.048 0.000 0.901 401 L HN 0.363 nan 8.230 nan 0.000 0.433 402 C N -0.162 118.929 119.300 -0.348 0.000 2.425 402 C HA -0.145 4.323 4.460 0.014 0.000 0.277 402 C C 2.421 177.450 174.990 0.065 0.000 1.280 402 C CA 0.464 59.313 59.018 -0.281 0.000 1.744 402 C CB -0.786 26.679 27.740 -0.459 0.000 1.989 402 C HN 0.536 nan 8.230 nan 0.000 0.491 403 D N 0.369 120.819 120.400 0.082 0.000 2.117 403 D HA -0.101 4.548 4.640 0.014 0.000 0.197 403 D C 2.408 178.926 176.300 0.363 0.000 0.987 403 D CA 1.225 55.362 54.000 0.227 0.000 0.829 403 D CB -0.299 40.593 40.800 0.154 0.000 0.961 403 D HN 0.527 nan 8.370 nan 0.000 0.460 404 R N -1.225 119.384 120.500 0.181 0.000 2.112 404 R HA 0.050 4.399 4.340 0.014 0.000 0.216 404 R C 1.992 178.285 176.300 -0.011 0.000 1.080 404 R CA 0.415 56.561 56.100 0.077 0.000 0.996 404 R CB -0.080 30.196 30.300 -0.040 0.000 0.902 404 R HN 0.267 nan 8.270 nan 0.000 0.449 405 Y N -0.008 120.300 120.300 0.014 0.000 2.490 405 Y HA 0.177 4.736 4.550 0.014 0.000 0.285 405 Y C 0.934 176.759 175.900 -0.126 0.000 1.117 405 Y CA 0.729 58.808 58.100 -0.034 0.000 1.262 405 Y CB 0.792 39.206 38.460 -0.076 0.000 1.043 405 Y HN 0.216 nan 8.280 nan 0.000 0.553 406 G N 1.273 110.106 108.800 0.055 0.000 2.830 406 G HA2 -0.152 3.816 3.960 0.014 0.000 0.298 406 G HA3 -0.152 3.816 3.960 0.014 0.000 0.298 406 G C -1.189 173.560 174.900 -0.251 0.000 1.031 406 G CA -0.547 44.458 45.100 -0.159 0.000 1.179 406 G HN 0.164 nan 8.290 nan 0.000 0.527 407 L N 1.150 122.302 121.223 -0.117 0.000 2.455 407 L HA 0.472 4.820 4.340 0.014 0.000 0.264 407 L C 0.026 176.915 176.870 0.031 0.000 0.968 407 L CA -1.286 53.449 54.840 -0.175 0.000 0.827 407 L CB 1.998 43.972 42.059 -0.142 0.000 1.317 407 L HN 0.475 nan 8.230 nan 0.000 0.407 408 Y N 1.917 122.354 120.300 0.229 0.000 2.442 408 Y HA 0.325 4.885 4.550 0.017 0.000 0.330 408 Y C 0.239 176.274 175.900 0.226 0.000 1.129 408 Y CA -0.654 57.614 58.100 0.280 0.000 1.365 408 Y CB 1.159 39.761 38.460 0.236 0.000 1.233 408 Y HN 0.166 nan 8.280 nan 0.000 0.529 409 V N 4.543 124.655 119.914 0.330 0.000 2.555 409 V HA 0.299 4.427 4.120 0.014 0.000 0.302 409 V C -0.521 175.664 176.094 0.152 0.000 1.038 409 V CA -1.000 61.433 62.300 0.223 0.000 0.887 409 V CB 1.933 33.849 31.823 0.155 0.000 0.991 409 V HN 0.451 nan 8.190 nan 0.000 0.434 410 V N 3.429 123.400 119.914 0.096 0.000 2.333 410 V HA 0.326 4.454 4.120 0.014 0.000 0.274 410 V C -0.315 175.822 176.094 0.071 0.000 1.028 410 V CA -0.333 61.973 62.300 0.009 0.000 0.851 410 V CB 1.474 33.189 31.823 -0.180 0.000 1.000 410 V HN 0.891 nan 8.190 nan 0.000 0.456 411 D N 4.257 124.740 120.400 0.138 0.000 2.249 411 D HA 0.339 4.987 4.640 0.014 0.000 0.246 411 D C -0.279 176.212 176.300 0.319 0.000 1.114 411 D CA -0.139 54.037 54.000 0.294 0.000 0.854 411 D CB 1.396 42.413 40.800 0.362 0.000 1.132 411 D HN 0.684 nan 8.370 nan 0.000 0.461 412 E N 1.979 122.332 120.200 0.254 0.000 2.210 412 E HA 0.629 4.988 4.350 0.014 0.000 0.266 412 E C -1.057 175.680 176.600 0.228 0.000 0.883 412 E CA -1.056 55.479 56.400 0.224 0.000 0.761 412 E CB 1.385 31.171 29.700 0.144 0.000 1.156 412 E HN 0.456 nan 8.360 nan 0.000 0.412 413 A N 3.736 126.683 122.820 0.211 0.000 2.445 413 A HA 0.072 4.400 4.320 0.014 0.000 0.242 413 A C 0.334 178.042 177.584 0.208 0.000 1.075 413 A CA -0.220 51.922 52.037 0.175 0.000 0.777 413 A CB 0.146 19.213 19.000 0.112 0.000 1.013 413 A HN 0.711 nan 8.150 nan 0.000 0.493 414 N N 1.070 119.900 118.700 0.217 0.000 3.178 414 N HA 0.251 5.000 4.740 0.014 0.000 0.300 414 N C -1.047 174.592 175.510 0.216 0.000 1.242 414 N CA 0.205 53.417 53.050 0.271 0.000 1.192 414 N CB -0.851 37.795 38.487 0.265 0.000 1.463 414 N HN 0.474 nan 8.380 nan 0.000 0.539 415 I N 0.824 121.514 120.570 0.200 0.000 2.468 415 I HA 0.273 4.452 4.170 0.014 0.000 0.284 415 I C -0.539 175.679 176.117 0.168 0.000 1.038 415 I CA -0.628 60.772 61.300 0.168 0.000 1.083 415 I CB 1.656 39.729 38.000 0.121 0.000 1.223 415 I HN 0.229 nan 8.210 nan 0.000 0.443 416 E N 4.340 124.636 120.200 0.159 0.000 2.274 416 E HA 0.405 4.764 4.350 0.014 0.000 0.269 416 E C -0.551 176.115 176.600 0.109 0.000 0.891 416 E CA -0.519 55.946 56.400 0.108 0.000 0.784 416 E CB 1.636 31.380 29.700 0.074 0.000 1.225 416 E HN 0.581 nan 8.360 nan 0.000 0.412 417 T N 0.638 115.248 114.554 0.093 0.000 3.374 417 T HA 0.168 4.526 4.350 0.014 0.000 0.267 417 T C 0.827 175.582 174.700 0.092 0.000 0.996 417 T CA -0.350 61.833 62.100 0.140 0.000 0.977 417 T CB -0.276 68.656 68.868 0.105 0.000 1.149 417 T HN 0.664 nan 8.240 nan 0.000 0.517 418 H N 1.160 120.147 119.070 -0.140 0.000 2.390 418 H HA -0.026 4.539 4.556 0.015 0.000 0.298 418 H C 2.341 177.547 175.328 -0.203 0.000 1.106 418 H CA 1.270 57.208 56.048 -0.184 0.000 1.297 418 H CB -0.166 29.445 29.762 -0.252 0.000 1.375 418 H HN 0.584 nan 8.280 nan 0.000 0.509 419 G N 0.258 108.915 108.800 -0.238 0.000 2.679 419 G HA2 -0.067 3.901 3.960 0.014 0.000 0.212 419 G HA3 -0.067 3.901 3.960 0.014 0.000 0.212 419 G C 0.516 175.532 174.900 0.193 0.000 1.137 419 G CA -0.104 44.883 45.100 -0.189 0.000 0.787 419 G HN 0.152 nan 8.290 nan 0.000 0.534 420 M N 0.285 120.043 119.600 0.265 0.000 2.198 420 M HA 0.308 4.796 4.480 0.014 0.000 0.315 420 M C -0.331 176.009 176.300 0.067 0.000 1.134 420 M CA -0.222 55.180 55.300 0.170 0.000 1.171 420 M CB 1.347 33.998 32.600 0.084 0.000 1.413 420 M HN -0.207 nan 8.290 nan 0.000 0.467 421 V N 3.780 123.710 119.914 0.027 0.000 2.482 421 V HA 0.373 4.501 4.120 0.014 0.000 0.295 421 V C -1.961 174.126 176.094 -0.010 0.000 1.026 421 V CA -1.288 61.013 62.300 0.002 0.000 0.856 421 V CB 1.842 33.660 31.823 -0.008 0.000 1.001 421 V HN 0.736 nan 8.190 nan 0.000 0.424 422 P HA 0.261 nan 4.420 nan 0.000 0.277 422 P C 1.017 178.320 177.300 0.006 0.000 1.276 422 P CA -0.529 62.568 63.100 -0.005 0.000 0.788 422 P CB 1.002 32.699 31.700 -0.005 0.000 1.114 423 M N 0.437 120.046 119.600 0.014 0.000 2.267 423 M HA -0.165 4.323 4.480 0.014 0.000 0.263 423 M C 1.156 177.479 176.300 0.039 0.000 1.063 423 M CA 1.756 57.074 55.300 0.031 0.000 1.090 423 M CB -0.483 32.124 32.600 0.012 0.000 1.392 423 M HN 0.374 nan 8.290 nan 0.000 0.422 424 N N -0.077 118.645 118.700 0.037 0.000 2.322 424 N HA -0.066 4.683 4.740 0.014 0.000 0.216 424 N C 1.086 176.580 175.510 -0.026 0.000 1.144 424 N CA 0.113 53.187 53.050 0.039 0.000 0.830 424 N CB -0.707 37.820 38.487 0.068 0.000 1.034 424 N HN 0.368 nan 8.380 nan 0.000 0.484 425 R N 0.386 120.857 120.500 -0.048 0.000 2.103 425 R HA -0.009 4.340 4.340 0.014 0.000 0.242 425 R C 1.431 177.635 176.300 -0.160 0.000 1.142 425 R CA 1.287 57.334 56.100 -0.088 0.000 0.960 425 R CB -0.023 30.225 30.300 -0.087 0.000 0.858 425 R HN 0.285 nan 8.270 nan 0.000 0.439 426 L N -0.523 120.545 121.223 -0.258 0.000 2.168 426 L HA -0.022 4.327 4.340 0.014 0.000 0.203 426 L C 2.519 179.259 176.870 -0.218 0.000 1.078 426 L CA 1.373 55.946 54.840 -0.445 0.000 0.780 426 L CB -0.551 41.024 42.059 -0.807 0.000 0.939 426 L HN 0.371 nan 8.230 nan 0.000 0.451 427 T N -4.313 110.142 114.554 -0.166 0.000 3.007 427 T HA -0.166 4.192 4.350 0.014 0.000 0.270 427 T C 1.271 175.883 174.700 -0.146 0.000 1.107 427 T CA 1.190 63.176 62.100 -0.189 0.000 1.118 427 T CB -0.221 68.485 68.868 -0.270 0.000 0.889 427 T HN 0.103 nan 8.240 nan 0.000 0.506 428 D N 1.166 121.517 120.400 -0.082 0.000 2.349 428 D HA 0.102 4.750 4.640 0.014 0.000 0.214 428 D C -0.224 176.058 176.300 -0.031 0.000 1.063 428 D CA -0.171 53.792 54.000 -0.062 0.000 0.847 428 D CB -0.076 40.694 40.800 -0.050 0.000 0.933 428 D HN 0.356 nan 8.370 nan 0.000 0.513 429 D N -0.149 120.249 120.400 -0.003 0.000 2.329 429 D HA 0.126 4.774 4.640 0.014 0.000 0.232 429 D C -1.656 174.696 176.300 0.086 0.000 1.088 429 D CA -2.240 51.793 54.000 0.055 0.000 0.835 429 D CB 2.032 42.902 40.800 0.118 0.000 1.078 429 D HN -0.055 nan 8.370 nan 0.000 0.495 430 P HA -0.134 nan 4.420 nan 0.000 0.219 430 P C 0.952 178.255 177.300 0.005 0.000 1.146 430 P CA 0.807 63.916 63.100 0.014 0.000 0.808 430 P CB 0.284 31.982 31.700 -0.004 0.000 0.779 431 R N -1.918 118.592 120.500 0.017 0.000 2.285 431 R HA -0.065 4.284 4.340 0.014 0.000 0.213 431 R C 1.502 177.682 176.300 -0.201 0.000 1.068 431 R CA 1.010 57.055 56.100 -0.091 0.000 1.004 431 R CB -0.499 29.738 30.300 -0.106 0.000 0.873 431 R HN 0.334 nan 8.270 nan 0.000 0.467 432 W N -0.249 120.997 121.300 -0.090 0.000 3.220 432 W HA 0.135 4.803 4.660 0.014 0.000 0.328 432 W C 1.502 177.963 176.519 -0.097 0.000 1.205 432 W CA -0.518 56.773 57.345 -0.091 0.000 1.773 432 W CB 0.082 29.487 29.460 -0.092 0.000 1.086 432 W HN -0.001 nan 8.180 nan 0.000 0.622 433 L N 2.094 123.341 121.223 0.039 0.000 2.012 433 L HA -0.071 4.278 4.340 0.014 0.000 0.210 433 L C -0.687 176.146 176.870 -0.062 0.000 1.073 433 L CA 2.330 57.156 54.840 -0.022 0.000 0.748 433 L CB -1.648 40.389 42.059 -0.036 0.000 0.891 433 L HN -0.232 nan 8.230 nan 0.000 0.431 434 P HA -0.180 nan 4.420 nan 0.000 0.214 434 P C 1.597 178.839 177.300 -0.097 0.000 1.163 434 P CA 2.266 65.300 63.100 -0.109 0.000 0.883 434 P CB -0.219 31.405 31.700 -0.126 0.000 0.788 435 A N -1.298 121.474 122.820 -0.079 0.000 1.902 435 A HA -0.192 4.137 4.320 0.014 0.000 0.217 435 A C 2.224 179.819 177.584 0.018 0.000 1.181 435 A CA 1.849 53.873 52.037 -0.022 0.000 0.623 435 A CB -1.442 17.567 19.000 0.016 0.000 0.818 435 A HN 0.105 nan 8.150 nan 0.000 0.443 436 M N 0.282 119.905 119.600 0.038 0.000 2.132 436 M HA -0.155 4.333 4.480 0.014 0.000 0.263 436 M C 2.565 178.815 176.300 -0.084 0.000 1.065 436 M CA 1.753 57.055 55.300 0.003 0.000 1.122 436 M CB -0.409 32.175 32.600 -0.027 0.000 1.365 436 M HN 0.673 nan 8.290 nan 0.000 0.411 437 S N 0.469 116.089 115.700 -0.133 0.000 2.374 437 S HA -0.210 4.269 4.470 0.014 0.000 0.227 437 S C 1.564 175.993 174.600 -0.285 0.000 1.037 437 S CA 1.652 59.704 58.200 -0.246 0.000 1.024 437 S CB -0.690 62.340 63.200 -0.282 0.000 0.861 437 S HN 0.550 nan 8.310 nan 0.000 0.456 438 E N 0.960 121.042 120.200 -0.196 0.000 2.204 438 E HA -0.039 4.319 4.350 0.014 0.000 0.194 438 E C 2.392 178.901 176.600 -0.151 0.000 0.989 438 E CA 0.703 56.990 56.400 -0.188 0.000 0.824 438 E CB -0.131 29.496 29.700 -0.122 0.000 0.756 438 E HN 0.579 nan 8.360 nan 0.000 0.477 439 R N 0.166 120.609 120.500 -0.096 0.000 2.148 439 R HA -0.062 4.286 4.340 0.014 0.000 0.227 439 R C 2.214 178.471 176.300 -0.073 0.000 1.103 439 R CA 0.663 56.739 56.100 -0.040 0.000 0.983 439 R CB 0.053 30.370 30.300 0.028 0.000 0.874 439 R HN 0.017 nan 8.270 nan 0.000 0.451 440 V N 0.100 119.925 119.914 -0.148 0.000 2.374 440 V HA -0.171 3.957 4.120 0.014 0.000 0.241 440 V C 2.472 178.380 176.094 -0.310 0.000 1.034 440 V CA 2.101 64.293 62.300 -0.181 0.000 1.037 440 V CB -0.211 31.500 31.823 -0.186 0.000 0.682 440 V HN 0.509 nan 8.190 nan 0.000 0.463 441 T N -0.641 113.604 114.554 -0.514 0.000 2.746 441 T HA -0.243 4.116 4.350 0.014 0.000 0.267 441 T C 1.929 176.451 174.700 -0.296 0.000 1.039 441 T CA 1.431 63.132 62.100 -0.665 0.000 1.142 441 T CB -0.428 67.835 68.868 -1.007 0.000 0.866 441 T HN 0.400 nan 8.240 nan 0.000 0.444 442 R N 0.307 120.665 120.500 -0.238 0.000 2.148 442 R HA 0.190 4.538 4.340 0.014 0.000 0.227 442 R C 2.629 178.841 176.300 -0.147 0.000 1.103 442 R CA 1.363 57.362 56.100 -0.168 0.000 0.983 442 R CB -0.467 29.746 30.300 -0.146 0.000 0.874 442 R HN 0.494 nan 8.270 nan 0.000 0.451 443 M N 0.522 120.041 119.600 -0.135 0.000 2.156 443 M HA -0.120 4.368 4.480 0.014 0.000 0.264 443 M C 1.806 178.012 176.300 -0.156 0.000 1.067 443 M CA 1.579 56.829 55.300 -0.084 0.000 1.131 443 M CB 0.157 32.750 32.600 -0.012 0.000 1.368 443 M HN -0.024 nan 8.290 nan 0.000 0.416 444 V N 1.062 120.774 119.914 -0.336 0.000 2.343 444 V HA -0.278 3.850 4.120 0.014 0.000 0.247 444 V C 2.266 178.239 176.094 -0.202 0.000 1.051 444 V CA 1.944 63.923 62.300 -0.534 0.000 1.036 444 V CB -0.950 30.538 31.823 -0.559 0.000 0.654 444 V HN 0.583 nan 8.190 nan 0.000 0.451 445 Q N -0.584 119.133 119.800 -0.138 0.000 2.181 445 Q HA -0.235 4.114 4.340 0.014 0.000 0.205 445 Q C 2.464 178.372 176.000 -0.153 0.000 0.980 445 Q CA 1.629 57.360 55.803 -0.119 0.000 0.862 445 Q CB -0.177 28.510 28.738 -0.085 0.000 0.905 445 Q HN 0.542 nan 8.270 nan 0.000 0.429 446 R N 0.262 120.666 120.500 -0.160 0.000 2.080 446 R HA -0.085 4.263 4.340 0.014 0.000 0.222 446 R C 0.636 176.860 176.300 -0.126 0.000 1.107 446 R CA 1.286 57.271 56.100 -0.193 0.000 0.980 446 R CB 0.403 30.592 30.300 -0.186 0.000 0.879 446 R HN 0.142 nan 8.270 nan 0.000 0.439 447 D N -0.061 120.326 120.400 -0.020 0.000 2.369 447 D HA -0.015 4.633 4.640 0.014 0.000 0.211 447 D C 1.400 177.813 176.300 0.188 0.000 1.077 447 D CA 0.162 54.204 54.000 0.071 0.000 0.842 447 D CB 0.193 40.992 40.800 -0.002 0.000 0.947 447 D HN 0.363 nan 8.370 nan 0.000 0.509 448 R N 0.717 121.343 120.500 0.210 0.000 2.249 448 R HA -0.028 4.320 4.340 0.014 0.000 0.230 448 R C 0.760 177.065 176.300 0.009 0.000 1.121 448 R CA 0.941 57.173 56.100 0.220 0.000 0.997 448 R CB -0.313 30.057 30.300 0.115 0.000 0.867 448 R HN -0.048 nan 8.270 nan 0.000 0.465 449 N N 0.160 118.792 118.700 -0.113 0.000 2.280 449 N HA 0.004 4.753 4.740 0.014 0.000 0.192 449 N C -0.470 174.906 175.510 -0.223 0.000 1.109 449 N CA 0.220 53.170 53.050 -0.166 0.000 0.855 449 N CB 0.102 38.469 38.487 -0.199 0.000 0.974 449 N HN 0.279 nan 8.380 nan 0.000 0.482 450 H N 1.492 120.499 119.070 -0.105 0.000 2.742 450 H HA 0.096 4.661 4.556 0.014 0.000 0.302 450 H C -1.180 173.994 175.328 -0.258 0.000 1.069 450 H CA -1.155 54.813 56.048 -0.134 0.000 1.446 450 H CB 1.511 31.223 29.762 -0.084 0.000 1.462 450 H HN 0.058 nan 8.280 nan 0.000 0.499 451 P HA -0.137 nan 4.420 nan 0.000 0.221 451 P C 1.397 178.208 177.300 -0.814 0.000 1.150 451 P CA 1.002 63.738 63.100 -0.607 0.000 0.800 451 P CB 0.296 31.415 31.700 -0.969 0.000 0.787 452 S N -0.626 114.705 115.700 -0.615 0.000 2.399 452 S HA -0.049 4.429 4.470 0.014 0.000 0.231 452 S C 1.143 175.695 174.600 -0.079 0.000 1.022 452 S CA 0.413 58.407 58.200 -0.344 0.000 0.983 452 S CB -1.566 61.617 63.200 -0.029 0.000 0.803 452 S HN -0.060 nan 8.310 nan 0.000 0.480 453 V N 3.700 123.546 119.914 -0.113 0.000 2.446 453 V HA 0.201 4.330 4.120 0.014 0.000 0.276 453 V C 1.130 177.081 176.094 -0.238 0.000 1.030 453 V CA 0.112 62.317 62.300 -0.159 0.000 1.033 453 V CB 0.312 31.942 31.823 -0.320 0.000 0.993 453 V HN 0.634 nan 8.190 nan 0.000 0.477 454 I N 2.604 123.091 120.570 -0.139 0.000 4.187 454 I HA 0.510 4.689 4.170 0.014 0.000 0.326 454 I C 0.378 176.383 176.117 -0.187 0.000 1.302 454 I CA 0.490 61.717 61.300 -0.122 0.000 1.196 454 I CB 0.493 38.501 38.000 0.014 0.000 1.095 454 I HN 0.322 nan 8.210 nan 0.000 0.411 455 I N 0.258 120.695 120.570 -0.221 0.000 2.656 455 I HA 0.355 4.533 4.170 0.014 0.000 0.292 455 I C -1.568 174.459 176.117 -0.151 0.000 1.144 455 I CA -0.380 60.835 61.300 -0.142 0.000 1.038 455 I CB 2.142 40.149 38.000 0.012 0.000 1.244 455 I HN 0.032 nan 8.210 nan 0.000 0.420 456 W N 3.989 125.337 121.300 0.080 0.000 2.496 456 W HA 0.624 5.291 4.660 0.012 0.000 0.327 456 W C 0.377 176.960 176.519 0.106 0.000 1.086 456 W CA -0.650 56.748 57.345 0.088 0.000 1.222 456 W CB 1.744 31.252 29.460 0.080 0.000 1.304 456 W HN 0.313 nan 8.180 nan 0.000 0.547 457 S N 2.626 118.555 115.700 0.380 0.000 2.500 457 S HA 0.397 4.876 4.470 0.014 0.000 0.301 457 S C 0.195 174.958 174.600 0.273 0.000 1.092 457 S CA -0.720 57.653 58.200 0.288 0.000 1.030 457 S CB 0.839 64.165 63.200 0.210 0.000 1.031 457 S HN 0.574 nan 8.310 nan 0.000 0.483 458 L N 4.079 125.453 121.223 0.252 0.000 2.650 458 L HA 0.343 4.691 4.340 0.014 0.000 0.235 458 L C 1.390 178.321 176.870 0.102 0.000 1.149 458 L CA 0.491 55.400 54.840 0.115 0.000 0.887 458 L CB -1.240 40.788 42.059 -0.051 0.000 1.021 458 L HN 0.997 nan 8.230 nan 0.000 0.441 459 G N 0.011 108.955 108.800 0.240 0.000 2.280 459 G HA2 -0.122 3.847 3.960 0.014 0.000 0.277 459 G HA3 -0.122 3.847 3.960 0.014 0.000 0.277 459 G C -1.657 173.435 174.900 0.319 0.000 1.288 459 G CA -0.540 44.707 45.100 0.244 0.000 1.075 459 G HN 0.187 nan 8.290 nan 0.000 0.480 460 N N -0.030 118.799 118.700 0.215 0.000 2.405 460 N HA 0.477 5.225 4.740 0.014 0.000 0.274 460 N C -0.418 175.049 175.510 -0.071 0.000 1.170 460 N CA 0.110 53.150 53.050 -0.017 0.000 0.848 460 N CB 1.626 39.826 38.487 -0.477 0.000 1.629 460 N HN 0.902 nan 8.380 nan 0.000 0.481 461 E N 0.573 120.636 120.200 -0.229 0.000 2.160 461 E HA -0.179 4.180 4.350 0.014 0.000 0.180 461 E C -0.799 175.711 176.600 -0.151 0.000 1.452 461 E CA 0.790 56.971 56.400 -0.365 0.000 0.683 461 E CB -1.278 27.953 29.700 -0.782 0.000 1.072 461 E HN 0.443 nan 8.360 nan 0.000 0.332 462 S N -0.030 115.729 115.700 0.098 0.000 2.952 462 S HA 0.400 4.878 4.470 0.014 0.000 0.251 462 S C 0.627 175.401 174.600 0.289 0.000 1.021 462 S CA -0.148 58.178 58.200 0.210 0.000 1.067 462 S CB 1.415 64.796 63.200 0.301 0.000 1.002 462 S HN 0.847 nan 8.310 nan 0.000 0.574 463 G N 1.987 110.886 108.800 0.165 0.000 2.641 463 G HA2 -0.260 3.708 3.960 0.014 0.000 0.254 463 G HA3 -0.260 3.708 3.960 0.014 0.000 0.254 463 G C -0.536 174.573 174.900 0.348 0.000 1.315 463 G CA -0.168 45.032 45.100 0.167 0.000 0.907 463 G HN 0.644 nan 8.290 nan 0.000 0.572 464 H N 0.371 119.565 119.070 0.207 0.000 2.906 464 H HA 0.575 5.140 4.556 0.014 0.000 0.324 464 H C 0.330 175.831 175.328 0.287 0.000 0.973 464 H CA -0.124 56.093 56.048 0.281 0.000 1.321 464 H CB 0.672 30.523 29.762 0.149 0.000 1.535 464 H HN 1.045 nan 8.280 nan 0.000 0.518 465 G N 1.575 110.517 108.800 0.236 0.000 2.511 465 G HA2 0.448 4.417 3.960 0.014 0.000 0.318 465 G HA3 0.448 4.417 3.960 0.014 0.000 0.318 465 G C 0.613 175.431 174.900 -0.136 0.000 1.210 465 G CA -0.165 44.893 45.100 -0.070 0.000 0.969 465 G HN 0.691 nan 8.290 nan 0.000 0.484 466 A N 0.543 123.285 122.820 -0.130 0.000 2.019 466 A HA -0.092 4.237 4.320 0.014 0.000 0.219 466 A C 2.107 179.674 177.584 -0.027 0.000 1.164 466 A CA 1.753 53.751 52.037 -0.065 0.000 0.644 466 A CB -0.379 18.597 19.000 -0.041 0.000 0.805 466 A HN 0.534 nan 8.150 nan 0.000 0.449 467 N N -0.275 118.370 118.700 -0.092 0.000 2.223 467 N HA -0.132 4.616 4.740 0.014 0.000 0.185 467 N C 1.343 176.794 175.510 -0.098 0.000 1.016 467 N CA 1.603 54.584 53.050 -0.116 0.000 0.863 467 N CB -0.628 37.743 38.487 -0.193 0.000 0.983 467 N HN 0.787 nan 8.380 nan 0.000 0.429 468 H N 0.113 119.180 119.070 -0.006 0.000 2.389 468 H HA 0.001 4.566 4.556 0.014 0.000 0.299 468 H C 1.183 176.581 175.328 0.117 0.000 1.081 468 H CA 1.106 57.157 56.048 0.005 0.000 1.345 468 H CB 0.237 30.024 29.762 0.042 0.000 1.393 468 H HN 0.193 nan 8.280 nan 0.000 0.520 469 D N 0.326 120.889 120.400 0.271 0.000 2.117 469 D HA -0.091 4.558 4.640 0.014 0.000 0.198 469 D C 2.295 178.744 176.300 0.249 0.000 0.982 469 D CA 1.087 55.240 54.000 0.254 0.000 0.828 469 D CB -0.282 40.636 40.800 0.197 0.000 0.967 469 D HN 0.409 nan 8.370 nan 0.000 0.464 470 A N 0.896 123.814 122.820 0.163 0.000 1.933 470 A HA -0.109 4.220 4.320 0.014 0.000 0.218 470 A C 2.396 180.092 177.584 0.186 0.000 1.175 470 A CA 0.879 53.006 52.037 0.149 0.000 0.628 470 A CB -0.693 18.353 19.000 0.076 0.000 0.814 470 A HN 0.185 nan 8.150 nan 0.000 0.444 471 L N -2.238 119.079 121.223 0.157 0.000 2.109 471 L HA -0.134 4.215 4.340 0.014 0.000 0.207 471 L C 2.552 179.570 176.870 0.246 0.000 1.086 471 L CA 1.443 56.377 54.840 0.157 0.000 0.760 471 L CB -0.708 41.374 42.059 0.038 0.000 0.910 471 L HN 0.574 nan 8.230 nan 0.000 0.437 472 Y N 1.379 121.763 120.300 0.140 0.000 2.114 472 Y HA -0.346 4.210 4.550 0.011 0.000 0.282 472 Y C 2.830 178.812 175.900 0.137 0.000 1.165 472 Y CA 1.859 60.043 58.100 0.140 0.000 1.148 472 Y CB -0.189 38.354 38.460 0.137 0.000 0.972 472 Y HN -0.030 nan 8.280 nan 0.000 0.504 473 R N -0.215 120.419 120.500 0.222 0.000 2.081 473 R HA -0.210 4.138 4.340 0.014 0.000 0.235 473 R C 2.064 178.377 176.300 0.021 0.000 1.131 473 R CA 1.995 58.148 56.100 0.089 0.000 0.960 473 R CB -1.480 28.935 30.300 0.192 0.000 0.856 473 R HN 0.649 nan 8.270 nan 0.000 0.436 474 W N 0.401 121.666 121.300 -0.060 0.000 2.335 474 W HA -0.130 4.539 4.660 0.015 0.000 0.311 474 W C 1.674 178.106 176.519 -0.145 0.000 1.213 474 W CA 1.922 59.216 57.345 -0.085 0.000 1.274 474 W CB -0.248 29.166 29.460 -0.077 0.000 1.148 474 W HN 0.073 nan 8.180 nan 0.000 0.498 475 I N 0.805 121.402 120.570 0.046 0.000 2.179 475 I HA -0.344 3.835 4.170 0.014 0.000 0.242 475 I C 2.421 178.346 176.117 -0.320 0.000 1.088 475 I CA 1.325 62.494 61.300 -0.219 0.000 1.357 475 I CB -0.720 37.211 38.000 -0.115 0.000 1.051 475 I HN -0.119 nan 8.210 nan 0.000 0.409 476 K N 0.608 120.823 120.400 -0.308 0.000 2.152 476 K HA -0.103 4.226 4.320 0.014 0.000 0.206 476 K C 2.245 178.704 176.600 -0.235 0.000 1.048 476 K CA 1.249 57.370 56.287 -0.276 0.000 0.933 476 K CB -0.432 31.861 32.500 -0.344 0.000 0.721 476 K HN 0.254 nan 8.250 nan 0.000 0.447 477 S N 0.609 116.136 115.700 -0.288 0.000 2.377 477 S HA -0.045 4.433 4.470 0.014 0.000 0.223 477 S C 2.144 176.530 174.600 -0.356 0.000 1.030 477 S CA 0.740 58.773 58.200 -0.278 0.000 0.970 477 S CB -0.016 63.015 63.200 -0.282 0.000 0.830 477 S HN 0.001 nan 8.310 nan 0.000 0.473 478 V N 1.191 120.753 119.914 -0.586 0.000 2.591 478 V HA 0.013 4.142 4.120 0.014 0.000 0.249 478 V C 0.448 176.308 176.094 -0.391 0.000 1.053 478 V CA 1.216 63.142 62.300 -0.624 0.000 1.068 478 V CB -0.184 30.918 31.823 -1.202 0.000 0.689 478 V HN 0.374 nan 8.190 nan 0.000 0.462 479 D N -0.831 119.395 120.400 -0.291 0.000 2.429 479 D HA 0.227 4.875 4.640 0.014 0.000 0.255 479 D C -2.079 174.208 176.300 -0.022 0.000 1.257 479 D CA -1.627 52.311 54.000 -0.103 0.000 0.890 479 D CB 1.537 42.357 40.800 0.033 0.000 1.267 479 D HN 0.106 nan 8.370 nan 0.000 0.521 480 P HA -0.039 nan 4.420 nan 0.000 0.242 480 P C 1.063 178.378 177.300 0.026 0.000 1.197 480 P CA 0.386 63.477 63.100 -0.016 0.000 0.765 480 P CB 0.139 31.822 31.700 -0.027 0.000 0.936 481 S N -1.143 114.583 115.700 0.043 0.000 2.522 481 S HA 0.059 4.537 4.470 0.014 0.000 0.227 481 S C 0.903 175.527 174.600 0.040 0.000 0.986 481 S CA -0.146 58.084 58.200 0.049 0.000 0.929 481 S CB -0.336 62.888 63.200 0.040 0.000 0.769 481 S HN 0.093 nan 8.310 nan 0.000 0.529 482 R N 1.067 121.602 120.500 0.057 0.000 2.628 482 R HA 0.554 4.902 4.340 0.014 0.000 0.288 482 R C -3.202 173.142 176.300 0.073 0.000 0.980 482 R CA -2.267 53.833 56.100 -0.001 0.000 0.891 482 R CB 1.407 31.583 30.300 -0.206 0.000 1.188 482 R HN 0.131 nan 8.270 nan 0.000 0.450 483 P HA 0.053 nan 4.420 nan 0.000 0.270 483 P C -0.834 176.568 177.300 0.169 0.000 1.223 483 P CA -0.328 62.831 63.100 0.098 0.000 0.785 483 P CB 0.627 32.373 31.700 0.075 0.000 0.923 484 V N 2.111 122.154 119.914 0.215 0.000 2.495 484 V HA 0.409 4.537 4.120 0.014 0.000 0.298 484 V C 0.169 176.446 176.094 0.305 0.000 1.031 484 V CA -0.301 62.177 62.300 0.296 0.000 0.871 484 V CB 1.244 33.226 31.823 0.265 0.000 0.988 484 V HN 0.613 nan 8.190 nan 0.000 0.432 485 Q N 3.723 123.682 119.800 0.264 0.000 2.458 485 Q HA 0.823 5.172 4.340 0.014 0.000 0.282 485 Q C -1.830 174.322 176.000 0.253 0.000 1.106 485 Q CA -0.944 54.977 55.803 0.197 0.000 0.814 485 Q CB 3.011 31.814 28.738 0.108 0.000 1.425 485 Q HN 0.630 nan 8.270 nan 0.000 0.437 486 Y N -0.086 120.213 120.300 -0.001 0.000 2.409 486 Y HA 0.142 4.700 4.550 0.013 0.000 0.321 486 Y C -0.709 175.119 175.900 -0.120 0.000 1.209 486 Y CA -0.742 57.322 58.100 -0.059 0.000 1.086 486 Y CB 1.978 40.382 38.460 -0.095 0.000 1.320 486 Y HN 0.956 nan 8.280 nan 0.000 0.440 487 E N 3.326 123.055 120.200 -0.786 0.000 2.400 487 E HA 0.152 4.510 4.350 0.014 0.000 0.195 487 E C 0.636 176.794 176.600 -0.737 0.000 1.012 487 E CA 0.655 56.693 56.400 -0.604 0.000 0.875 487 E CB 0.313 29.774 29.700 -0.398 0.000 0.859 487 E HN 0.887 nan 8.360 nan 0.000 0.498 488 G N -0.081 107.851 108.800 -1.447 0.000 2.484 488 G HA2 0.234 4.203 3.960 0.014 0.000 0.235 488 G HA3 0.234 4.203 3.960 0.014 0.000 0.235 488 G C 0.803 175.531 174.900 -0.288 0.000 1.282 488 G CA 0.265 44.921 45.100 -0.740 0.000 0.857 488 G HN 0.321 nan 8.290 nan 0.000 0.571 489 G N -0.536 108.216 108.800 -0.080 0.000 2.160 489 G HA2 0.227 4.196 3.960 0.014 0.000 0.251 489 G HA3 0.227 4.196 3.960 0.014 0.000 0.251 489 G C 1.254 176.165 174.900 0.019 0.000 1.008 489 G CA 1.007 46.132 45.100 0.042 0.000 0.724 489 G HN 2.603 nan 8.290 nan 0.000 0.514 490 G N -1.623 107.178 108.800 0.000 0.000 2.205 490 G HA2 0.432 4.401 3.960 0.014 0.000 0.180 490 G HA3 0.432 4.401 3.960 0.014 0.000 0.180 490 G C 1.059 176.070 174.900 0.185 0.000 1.004 490 G CA 1.328 46.495 45.100 0.111 0.000 0.670 490 G HN 2.334 nan 8.290 nan 0.000 0.496 491 A N -0.201 122.609 122.820 -0.017 0.000 3.413 491 A HA -0.106 4.223 4.320 0.014 0.000 0.268 491 A C 1.020 178.528 177.584 -0.126 0.000 1.128 491 A CA 2.629 54.597 52.037 -0.116 0.000 1.062 491 A CB -1.795 17.113 19.000 -0.153 0.000 1.121 491 A HN 2.123 nan 8.150 nan 0.000 0.895 492 D N -0.974 119.435 120.400 0.015 0.000 2.785 492 D HA 0.330 4.978 4.640 0.014 0.000 0.324 492 D C 0.314 176.611 176.300 -0.005 0.000 1.523 492 D CA 0.757 54.772 54.000 0.024 0.000 0.789 492 D CB -1.128 39.824 40.800 0.253 0.000 1.171 492 D HN 0.825 nan 8.370 nan 0.000 0.447 493 T N -2.535 111.944 114.554 -0.125 0.000 2.754 493 T HA 0.235 4.593 4.350 0.014 0.000 0.286 493 T C 1.591 176.153 174.700 -0.230 0.000 0.997 493 T CA 0.351 62.308 62.100 -0.238 0.000 0.982 493 T CB 0.981 69.442 68.868 -0.680 0.000 1.027 493 T HN 0.084 nan 8.240 nan 0.000 0.529 494 T N -2.280 112.150 114.554 -0.206 0.000 3.163 494 T HA 0.185 4.543 4.350 0.014 0.000 0.260 494 T C 1.510 175.957 174.700 -0.422 0.000 1.156 494 T CA 0.303 62.287 62.100 -0.194 0.000 1.072 494 T CB -0.499 68.342 68.868 -0.046 0.000 0.937 494 T HN 0.837 nan 8.240 nan 0.000 0.528 495 A N 0.493 123.067 122.820 -0.410 0.000 2.415 495 A HA 0.512 4.840 4.320 0.014 0.000 0.248 495 A C 0.813 178.216 177.584 -0.302 0.000 1.299 495 A CA -0.291 51.477 52.037 -0.448 0.000 0.899 495 A CB 0.031 19.008 19.000 -0.040 0.000 0.997 495 A HN 0.427 nan 8.150 nan 0.000 0.506 496 T N -1.543 112.845 114.554 -0.277 0.000 2.952 496 T HA 0.371 4.730 4.350 0.014 0.000 0.305 496 T C -0.722 173.995 174.700 0.029 0.000 1.064 496 T CA -0.433 61.662 62.100 -0.009 0.000 1.008 496 T CB 1.286 70.138 68.868 -0.027 0.000 1.078 496 T HN 0.061 nan 8.240 nan 0.000 0.459 497 D N 2.867 123.369 120.400 0.170 0.000 2.349 497 D HA 0.290 4.939 4.640 0.014 0.000 0.215 497 D C 0.320 176.653 176.300 0.054 0.000 1.016 497 D CA 0.640 54.724 54.000 0.140 0.000 0.870 497 D CB 0.382 41.296 40.800 0.191 0.000 0.917 497 D HN 0.540 nan 8.370 nan 0.000 0.524 498 I N 1.016 121.599 120.570 0.021 0.000 2.498 498 I HA 0.255 4.434 4.170 0.014 0.000 0.290 498 I C -0.193 175.858 176.117 -0.110 0.000 1.032 498 I CA -0.883 60.395 61.300 -0.035 0.000 1.073 498 I CB 2.762 40.755 38.000 -0.011 0.000 1.251 498 I HN -0.355 nan 8.210 nan 0.000 0.426 499 I N 5.851 126.308 120.570 -0.188 0.000 2.517 499 I HA 0.053 4.232 4.170 0.014 0.000 0.285 499 I C 0.183 176.087 176.117 -0.355 0.000 1.106 499 I CA 0.016 61.104 61.300 -0.353 0.000 1.402 499 I CB 0.230 37.907 38.000 -0.537 0.000 1.399 499 I HN 0.675 nan 8.210 nan 0.000 0.535 500 C N 5.583 124.687 119.300 -0.326 0.000 3.401 500 C HA 0.467 4.936 4.460 0.014 0.000 0.204 500 C C -2.229 172.626 174.990 -0.225 0.000 1.522 500 C CA -2.278 56.604 59.018 -0.227 0.000 1.409 500 C CB -0.846 26.820 27.740 -0.124 0.000 1.967 500 C HN 0.414 nan 8.230 nan 0.000 0.496 501 P HA 0.303 nan 4.420 nan 0.000 0.272 501 P C -0.412 176.837 177.300 -0.084 0.000 1.240 501 P CA 0.343 63.342 63.100 -0.168 0.000 0.791 501 P CB 0.759 32.387 31.700 -0.119 0.000 0.978 502 M N 0.437 120.010 119.600 -0.044 0.000 2.181 502 M HA 0.442 4.931 4.480 0.014 0.000 0.323 502 M C -0.844 175.425 176.300 -0.052 0.000 1.004 502 M CA -0.667 54.497 55.300 -0.227 0.000 0.941 502 M CB 1.026 33.456 32.600 -0.284 0.000 1.579 502 M HN 0.333 nan 8.290 nan 0.000 0.427 503 Y N -0.174 120.300 120.300 0.290 0.000 4.272 503 Y HA -0.208 4.351 4.550 0.015 0.000 0.232 503 Y C 0.466 176.544 175.900 0.297 0.000 1.149 503 Y CA 0.391 58.665 58.100 0.290 0.000 1.961 503 Y CB -2.229 36.372 38.460 0.236 0.000 1.611 503 Y HN 0.973 nan 8.280 nan 0.000 0.682 504 A N 1.046 124.088 122.820 0.370 0.000 2.388 504 A HA 0.640 4.969 4.320 0.014 0.000 0.257 504 A C 0.686 178.497 177.584 0.378 0.000 1.095 504 A CA -0.500 51.758 52.037 0.368 0.000 0.791 504 A CB 0.458 19.725 19.000 0.445 0.000 1.029 504 A HN 0.416 nan 8.150 nan 0.000 0.489 505 R N 1.240 121.886 120.500 0.244 0.000 2.546 505 R HA 0.363 4.711 4.340 0.014 0.000 0.266 505 R C 0.924 177.188 176.300 -0.061 0.000 1.086 505 R CA -0.771 55.395 56.100 0.110 0.000 1.160 505 R CB 0.640 30.976 30.300 0.060 0.000 1.138 505 R HN 0.465 nan 8.270 nan 0.000 0.567 506 V N 0.616 120.333 119.914 -0.328 0.000 2.283 506 V HA -0.189 3.940 4.120 0.014 0.000 0.243 506 V C 0.987 176.959 176.094 -0.203 0.000 1.039 506 V CA 1.845 63.916 62.300 -0.383 0.000 1.016 506 V CB -0.240 31.226 31.823 -0.595 0.000 0.650 506 V HN 0.732 nan 8.190 nan 0.000 0.449 507 D N -1.275 119.037 120.400 -0.145 0.000 2.423 507 D HA 0.092 4.740 4.640 0.014 0.000 0.212 507 D C 0.941 177.222 176.300 -0.032 0.000 1.060 507 D CA 0.115 54.066 54.000 -0.081 0.000 0.872 507 D CB 0.596 41.355 40.800 -0.068 0.000 1.012 507 D HN 0.486 nan 8.370 nan 0.000 0.503 508 E N 1.768 121.953 120.200 -0.024 0.000 2.200 508 E HA 0.107 4.465 4.350 0.014 0.000 0.283 508 E C -0.808 175.791 176.600 -0.001 0.000 1.015 508 E CA -0.609 55.786 56.400 -0.007 0.000 0.819 508 E CB 0.947 30.646 29.700 -0.002 0.000 1.081 508 E HN -0.185 nan 8.360 nan 0.000 0.397 509 D N 3.517 123.919 120.400 0.003 0.000 2.313 509 D HA 0.135 4.783 4.640 0.014 0.000 0.247 509 D C -0.597 175.597 176.300 -0.177 0.000 1.094 509 D CA 0.205 54.200 54.000 -0.008 0.000 0.925 509 D CB 1.141 42.015 40.800 0.122 0.000 1.188 509 D HN 0.409 nan 8.370 nan 0.000 0.430 510 Q N 1.360 120.918 119.800 -0.404 0.000 2.771 510 Q HA 0.246 4.594 4.340 0.014 0.000 0.247 510 Q C -2.265 173.074 176.000 -1.101 0.000 0.986 510 Q CA -1.477 53.877 55.803 -0.747 0.000 0.713 510 Q CB 2.495 30.764 28.738 -0.781 0.000 1.241 510 Q HN 0.165 nan 8.270 nan 0.000 0.488 511 P HA 0.035 nan 4.420 nan 0.000 0.218 511 P C -0.634 176.353 177.300 -0.522 0.000 1.793 511 P CA -0.126 62.540 63.100 -0.723 0.000 0.941 511 P CB -0.555 30.958 31.700 -0.312 0.000 1.919 512 F N 2.004 121.780 119.950 -0.289 0.000 2.563 512 F HA 0.114 4.649 4.527 0.014 0.000 0.363 512 F C -1.159 174.537 175.800 -0.173 0.000 1.123 512 F CA -2.189 55.701 58.000 -0.183 0.000 1.307 512 F CB -0.558 38.348 39.000 -0.156 0.000 1.115 512 F HN 0.065 nan 8.300 nan 0.000 0.592 513 P HA 0.101 nan 4.420 nan 0.000 0.268 513 P C 0.294 177.616 177.300 0.037 0.000 1.205 513 P CA 0.945 64.068 63.100 0.039 0.000 0.771 513 P CB 1.128 32.849 31.700 0.035 0.000 0.858 514 A N 2.770 125.603 122.820 0.021 0.000 3.292 514 A HA -0.248 4.080 4.320 0.014 0.000 0.241 514 A C 0.772 178.369 177.584 0.023 0.000 0.569 514 A CA 2.061 54.115 52.037 0.028 0.000 1.149 514 A CB -2.699 16.318 19.000 0.028 0.000 1.321 514 A HN 0.714 nan 8.150 nan 0.000 0.679 515 V N -2.996 116.928 119.914 0.017 0.000 2.562 515 V HA 0.551 4.679 4.120 0.014 0.000 0.274 515 V C -2.346 173.745 176.094 -0.006 0.000 1.075 515 V CA -1.280 61.031 62.300 0.018 0.000 1.204 515 V CB 0.523 32.362 31.823 0.027 0.000 1.478 515 V HN 0.469 nan 8.190 nan 0.000 0.622 516 P HA 0.252 nan 4.420 nan 0.000 0.269 516 P C -0.603 176.254 177.300 -0.738 0.000 1.215 516 P CA 0.183 62.881 63.100 -0.669 0.000 0.780 516 P CB 0.936 31.740 31.700 -1.494 0.000 0.898 517 K N 2.278 122.285 120.400 -0.655 0.000 2.419 517 K HA 0.206 4.535 4.320 0.014 0.000 0.244 517 K C -0.434 175.874 176.600 -0.487 0.000 1.045 517 K CA -0.282 55.824 56.287 -0.302 0.000 1.004 517 K CB 0.393 32.973 32.500 0.133 0.000 1.376 517 K HN 0.467 nan 8.250 nan 0.000 0.460 518 W N 1.392 122.356 121.300 -0.561 0.000 2.126 518 W HA 0.032 4.702 4.660 0.017 0.000 0.346 518 W C 1.356 177.858 176.519 -0.029 0.000 1.279 518 W CA -0.390 56.721 57.345 -0.391 0.000 1.259 518 W CB 0.457 29.515 29.460 -0.670 0.000 1.133 518 W HN 0.376 nan 8.180 nan 0.000 0.592 519 S N 3.293 119.135 115.700 0.237 0.000 2.558 519 S HA -0.084 4.395 4.470 0.014 0.000 0.293 519 S C 1.207 175.944 174.600 0.229 0.000 1.292 519 S CA -0.146 58.142 58.200 0.146 0.000 1.063 519 S CB 0.159 63.396 63.200 0.062 0.000 0.831 519 S HN 0.507 nan 8.310 nan 0.000 0.499 520 I N 2.114 122.787 120.570 0.173 0.000 2.361 520 I HA -0.135 4.044 4.170 0.014 0.000 0.251 520 I C 2.025 178.168 176.117 0.042 0.000 1.133 520 I CA 1.241 62.652 61.300 0.185 0.000 1.413 520 I CB -0.429 37.626 38.000 0.093 0.000 1.073 520 I HN 0.593 nan 8.210 nan 0.000 0.424 521 K N 1.553 121.872 120.400 -0.136 0.000 2.097 521 K HA -0.152 4.176 4.320 0.014 0.000 0.205 521 K C 2.306 178.885 176.600 -0.034 0.000 1.050 521 K CA 1.607 57.721 56.287 -0.289 0.000 0.938 521 K CB -0.184 32.059 32.500 -0.429 0.000 0.718 521 K HN 0.370 nan 8.250 nan 0.000 0.442 522 K N 0.087 120.497 120.400 0.017 0.000 2.155 522 K HA -0.159 4.169 4.320 0.014 0.000 0.203 522 K C 1.854 178.476 176.600 0.036 0.000 1.052 522 K CA 0.731 57.018 56.287 -0.000 0.000 0.948 522 K CB -0.048 32.419 32.500 -0.055 0.000 0.728 522 K HN 0.215 nan 8.250 nan 0.000 0.448 523 W N 2.205 123.491 121.300 -0.022 0.000 2.335 523 W HA -0.203 4.462 4.660 0.010 0.000 0.311 523 W C 1.640 178.146 176.519 -0.020 0.000 1.213 523 W CA 1.173 58.524 57.345 0.009 0.000 1.274 523 W CB -0.707 28.829 29.460 0.127 0.000 1.148 523 W HN 0.074 nan 8.180 nan 0.000 0.498 524 L N 0.837 122.225 121.223 0.275 0.000 2.081 524 L HA -0.261 4.088 4.340 0.014 0.000 0.212 524 L C 2.205 179.147 176.870 0.121 0.000 1.080 524 L CA 2.061 56.996 54.840 0.158 0.000 0.754 524 L CB -1.032 41.104 42.059 0.130 0.000 0.893 524 L HN -0.002 nan 8.230 nan 0.000 0.433 525 S N -1.411 114.343 115.700 0.091 0.000 2.582 525 S HA 0.268 4.747 4.470 0.014 0.000 0.234 525 S C 0.565 175.160 174.600 -0.009 0.000 0.961 525 S CA -0.536 57.689 58.200 0.042 0.000 0.953 525 S CB -0.436 62.786 63.200 0.036 0.000 0.800 525 S HN 0.149 nan 8.310 nan 0.000 0.471 526 L N 1.777 122.988 121.223 -0.019 0.000 2.499 526 L HA 0.203 4.552 4.340 0.014 0.000 0.281 526 L C -2.198 174.646 176.870 -0.043 0.000 1.234 526 L CA -1.638 53.143 54.840 -0.099 0.000 0.839 526 L CB -0.338 41.643 42.059 -0.130 0.000 1.104 526 L HN 0.015 nan 8.230 nan 0.000 0.500 527 P HA -0.027 nan 4.420 nan 0.000 0.261 527 P C 0.696 177.993 177.300 -0.005 0.000 1.183 527 P CA 1.132 64.213 63.100 -0.033 0.000 0.761 527 P CB 0.550 32.225 31.700 -0.041 0.000 0.785 528 G N 1.831 110.634 108.800 0.005 0.000 2.212 528 G HA2 -0.287 3.682 3.960 0.014 0.000 0.266 528 G HA3 -0.287 3.682 3.960 0.014 0.000 0.266 528 G C 0.314 175.233 174.900 0.032 0.000 0.978 528 G CA 0.249 45.360 45.100 0.019 0.000 0.632 528 G HN 0.609 nan 8.290 nan 0.000 0.537 529 E N 0.860 121.084 120.200 0.041 0.000 2.354 529 E HA 0.609 4.967 4.350 0.014 0.000 0.269 529 E C 1.354 177.983 176.600 0.048 0.000 1.036 529 E CA 0.648 57.085 56.400 0.062 0.000 0.876 529 E CB 0.800 30.563 29.700 0.105 0.000 1.009 529 E HN 0.535 nan 8.360 nan 0.000 0.416 530 T N 0.401 114.979 114.554 0.040 0.000 3.130 530 T HA 0.332 4.690 4.350 0.014 0.000 0.288 530 T C 0.541 175.254 174.700 0.021 0.000 0.936 530 T CA -0.479 61.639 62.100 0.030 0.000 0.897 530 T CB 0.058 68.942 68.868 0.027 0.000 1.178 530 T HN 0.257 nan 8.240 nan 0.000 0.543 531 R N 2.332 122.841 120.500 0.014 0.000 2.707 531 R HA 0.456 4.805 4.340 0.014 0.000 0.270 531 R C -2.518 173.767 176.300 -0.026 0.000 1.083 531 R CA -1.763 54.334 56.100 -0.005 0.000 1.182 531 R CB 0.091 30.380 30.300 -0.019 0.000 1.084 531 R HN 0.227 nan 8.270 nan 0.000 0.528 532 P HA 0.099 nan 4.420 nan 0.000 0.276 532 P C -1.082 176.157 177.300 -0.103 0.000 1.252 532 P CA -0.144 62.921 63.100 -0.058 0.000 0.802 532 P CB 0.682 32.348 31.700 -0.055 0.000 1.035 533 L N 2.214 123.360 121.223 -0.128 0.000 2.376 533 L HA 0.559 4.907 4.340 0.014 0.000 0.275 533 L C -1.043 175.704 176.870 -0.206 0.000 0.987 533 L CA -0.608 54.119 54.840 -0.188 0.000 0.828 533 L CB 0.651 42.596 42.059 -0.190 0.000 1.249 533 L HN 0.224 nan 8.230 nan 0.000 0.409 534 I N 5.637 126.091 120.570 -0.193 0.000 2.468 534 I HA 0.272 4.451 4.170 0.014 0.000 0.285 534 I C -0.716 175.328 176.117 -0.122 0.000 1.039 534 I CA -0.565 60.612 61.300 -0.205 0.000 1.074 534 I CB 1.941 39.875 38.000 -0.109 0.000 1.228 534 I HN 0.462 nan 8.210 nan 0.000 0.436 535 L N 5.660 126.790 121.223 -0.155 0.000 2.455 535 L HA 0.031 4.379 4.340 0.014 0.000 0.272 535 L C 1.485 178.448 176.870 0.156 0.000 1.174 535 L CA -0.109 54.706 54.840 -0.043 0.000 0.869 535 L CB 0.633 42.655 42.059 -0.062 0.000 1.130 535 L HN 0.860 nan 8.230 nan 0.000 0.474 536 C N 0.125 119.486 119.300 0.101 0.000 2.448 536 C HA 0.144 4.612 4.460 0.014 0.000 0.280 536 C C 0.614 175.747 174.990 0.238 0.000 1.398 536 C CA -0.171 58.942 59.018 0.158 0.000 1.774 536 C CB -1.063 26.684 27.740 0.011 0.000 1.888 536 C HN 0.825 nan 8.230 nan 0.000 0.519 537 E N -0.806 119.467 120.200 0.121 0.000 2.321 537 E HA 0.628 4.986 4.350 0.014 0.000 0.278 537 E C -1.370 175.217 176.600 -0.021 0.000 0.902 537 E CA -0.430 56.049 56.400 0.132 0.000 0.758 537 E CB 1.998 31.625 29.700 -0.122 0.000 1.213 537 E HN 0.681 nan 8.360 nan 0.000 0.426 538 Y N -1.330 118.987 120.300 0.028 0.000 2.713 538 Y HA 0.629 5.188 4.550 0.016 0.000 0.335 538 Y C -0.775 175.300 175.900 0.292 0.000 1.222 538 Y CA -0.972 57.147 58.100 0.032 0.000 1.061 538 Y CB 0.884 39.187 38.460 -0.262 0.000 1.314 538 Y HN 0.679 nan 8.280 nan 0.000 0.453 539 A N 1.954 124.839 122.820 0.107 0.000 2.183 539 A HA -0.260 4.068 4.320 0.014 0.000 0.278 539 A C -0.487 177.225 177.584 0.212 0.000 1.404 539 A CA 1.059 53.156 52.037 0.099 0.000 0.737 539 A CB -2.382 16.587 19.000 -0.053 0.000 1.172 539 A HN 1.072 nan 8.150 nan 0.000 0.338 540 H N 1.050 120.271 119.070 0.252 0.000 3.145 540 H HA 0.309 4.873 4.556 0.014 0.000 0.263 540 H C 1.088 176.491 175.328 0.125 0.000 1.057 540 H CA 0.801 57.015 56.048 0.276 0.000 1.477 540 H CB 0.510 30.316 29.762 0.073 0.000 1.529 540 H HN 0.794 nan 8.280 nan 0.000 0.508 541 A N 6.507 129.245 122.820 -0.136 0.000 2.648 541 A HA 0.053 4.382 4.320 0.014 0.000 0.269 541 A C 0.957 178.427 177.584 -0.190 0.000 1.392 541 A CA -0.415 51.530 52.037 -0.154 0.000 1.019 541 A CB -0.652 18.247 19.000 -0.169 0.000 1.009 541 A HN 0.806 nan 8.150 nan 0.000 0.565 542 M N 1.434 120.903 119.600 -0.218 0.000 2.266 542 M HA 0.427 4.915 4.480 0.014 0.000 0.340 542 M C 0.998 177.147 176.300 -0.251 0.000 1.486 542 M CA 1.255 56.433 55.300 -0.204 0.000 1.209 542 M CB -0.401 32.144 32.600 -0.091 0.000 1.714 542 M HN 0.797 nan 8.290 nan 0.000 0.459 543 G N 4.331 112.952 108.800 -0.300 0.000 2.547 543 G HA2 -0.346 3.622 3.960 0.014 0.000 0.271 543 G HA3 -0.346 3.622 3.960 0.014 0.000 0.271 543 G C -0.241 174.134 174.900 -0.874 0.000 1.209 543 G CA 0.092 44.831 45.100 -0.601 0.000 0.959 543 G HN 0.850 nan 8.290 nan 0.000 0.563 544 N N 1.246 119.254 118.700 -1.153 0.000 2.421 544 N HA 0.514 5.262 4.740 0.014 0.000 0.260 544 N C -0.011 175.235 175.510 -0.441 0.000 1.173 544 N CA 1.085 53.625 53.050 -0.849 0.000 0.960 544 N CB 0.564 38.570 38.487 -0.803 0.000 1.273 544 N HN 0.855 nan 8.380 nan 0.000 0.497 545 S N 2.225 117.760 115.700 -0.274 0.000 2.973 545 S HA 0.604 5.082 4.470 0.014 0.000 0.317 545 S C -0.223 174.315 174.600 -0.104 0.000 1.196 545 S CA -0.343 57.755 58.200 -0.169 0.000 0.894 545 S CB 0.074 63.193 63.200 -0.135 0.000 1.292 545 S HN 0.380 nan 8.310 nan 0.000 0.614 546 L N 0.067 121.261 121.223 -0.048 0.000 4.793 546 L HA -0.051 4.297 4.340 0.014 0.000 0.404 546 L C 0.530 177.440 176.870 0.065 0.000 1.022 546 L CA 0.923 55.757 54.840 -0.010 0.000 1.242 546 L CB -1.735 40.234 42.059 -0.150 0.000 2.049 546 L HN 0.749 nan 8.230 nan 0.000 0.637 547 G N -0.829 107.979 108.800 0.013 0.000 2.398 547 G HA2 0.472 4.440 3.960 0.014 0.000 0.246 547 G HA3 0.472 4.440 3.960 0.014 0.000 0.246 547 G C 1.236 176.179 174.900 0.071 0.000 1.289 547 G CA 0.184 45.271 45.100 -0.022 0.000 0.869 547 G HN 1.383 nan 8.290 nan 0.000 0.543 548 G N 1.520 110.349 108.800 0.048 0.000 2.176 548 G HA2 -0.318 3.650 3.960 0.014 0.000 0.253 548 G HA3 -0.318 3.650 3.960 0.014 0.000 0.253 548 G C 1.005 176.098 174.900 0.323 0.000 0.979 548 G CA 0.772 45.963 45.100 0.151 0.000 0.641 548 G HN 0.774 nan 8.290 nan 0.000 0.530 549 F N 1.883 121.959 119.950 0.210 0.000 2.134 549 F HA 0.162 4.699 4.527 0.015 0.000 0.299 549 F C 2.693 178.717 175.800 0.373 0.000 1.097 549 F CA 2.508 60.709 58.000 0.336 0.000 1.264 549 F CB -0.452 38.685 39.000 0.229 0.000 1.001 549 F HN 0.336 nan 8.300 nan 0.000 0.479 550 A N -0.305 122.702 122.820 0.311 0.000 2.024 550 A HA -0.249 4.080 4.320 0.014 0.000 0.220 550 A C 2.285 179.902 177.584 0.056 0.000 1.164 550 A CA 1.783 53.932 52.037 0.185 0.000 0.643 550 A CB -0.831 18.279 19.000 0.183 0.000 0.806 550 A HN 0.466 nan 8.150 nan 0.000 0.451 551 K N -1.644 118.765 120.400 0.014 0.000 2.097 551 K HA -0.164 4.164 4.320 0.014 0.000 0.205 551 K C 1.681 178.051 176.600 -0.382 0.000 1.050 551 K CA 1.497 57.703 56.287 -0.135 0.000 0.938 551 K CB -0.295 32.132 32.500 -0.122 0.000 0.718 551 K HN 0.575 nan 8.250 nan 0.000 0.442 552 Y N -0.706 119.320 120.300 -0.456 0.000 2.145 552 Y HA -0.247 4.311 4.550 0.013 0.000 0.286 552 Y C 2.017 176.958 175.900 -1.598 0.000 1.145 552 Y CA 1.641 59.105 58.100 -1.060 0.000 1.148 552 Y CB -0.367 37.463 38.460 -1.050 0.000 0.981 552 Y HN 0.166 nan 8.280 nan 0.000 0.507 553 W N 0.042 120.945 121.300 -0.661 0.000 2.358 553 W HA -0.224 4.446 4.660 0.016 0.000 0.303 553 W C 2.639 179.012 176.519 -0.244 0.000 1.208 553 W CA 1.642 58.751 57.345 -0.392 0.000 1.274 553 W CB -0.728 28.577 29.460 -0.258 0.000 1.138 553 W HN 0.057 nan 8.180 nan 0.000 0.515 554 Q N 0.796 120.520 119.800 -0.128 0.000 2.124 554 Q HA -0.163 4.185 4.340 0.014 0.000 0.202 554 Q C 2.140 178.080 176.000 -0.101 0.000 0.977 554 Q CA 2.073 57.837 55.803 -0.065 0.000 0.850 554 Q CB -0.594 28.121 28.738 -0.037 0.000 0.901 554 Q HN 0.276 nan 8.270 nan 0.000 0.429 555 A N -0.127 122.536 122.820 -0.262 0.000 1.897 555 A HA -0.077 4.252 4.320 0.014 0.000 0.215 555 A C 2.057 179.606 177.584 -0.058 0.000 1.181 555 A CA 0.928 52.843 52.037 -0.203 0.000 0.620 555 A CB -1.015 17.733 19.000 -0.420 0.000 0.821 555 A HN 0.461 nan 8.150 nan 0.000 0.443 556 F N -0.302 119.464 119.950 -0.306 0.000 2.126 556 F HA -0.230 4.306 4.527 0.014 0.000 0.299 556 F C 2.774 178.468 175.800 -0.175 0.000 1.096 556 F CA 1.194 58.983 58.000 -0.351 0.000 1.255 556 F CB -0.176 38.380 39.000 -0.739 0.000 0.997 556 F HN 0.155 nan 8.300 nan 0.000 0.479 557 R N 0.008 120.555 120.500 0.079 0.000 2.090 557 R HA -0.166 4.182 4.340 0.014 0.000 0.228 557 R C 2.143 178.473 176.300 0.051 0.000 1.110 557 R CA 1.193 57.325 56.100 0.054 0.000 0.973 557 R CB -0.393 29.938 30.300 0.052 0.000 0.869 557 R HN 0.372 nan 8.270 nan 0.000 0.440 558 Q N -0.386 119.470 119.800 0.094 0.000 2.137 558 Q HA -0.068 4.280 4.340 0.014 0.000 0.198 558 Q C -0.430 175.585 176.000 0.024 0.000 0.960 558 Q CA 0.971 56.817 55.803 0.072 0.000 0.847 558 Q CB 0.347 29.163 28.738 0.131 0.000 0.915 558 Q HN 0.195 nan 8.270 nan 0.000 0.448 559 Y N 0.157 120.438 120.300 -0.031 0.000 2.385 559 Y HA 0.244 4.801 4.550 0.012 0.000 0.341 559 Y C -1.773 174.103 175.900 -0.039 0.000 0.965 559 Y CA -2.706 55.377 58.100 -0.029 0.000 1.180 559 Y CB 1.394 39.842 38.460 -0.020 0.000 1.139 559 Y HN 0.137 nan 8.280 nan 0.000 0.502 560 P HA -0.186 nan 4.420 nan 0.000 0.215 560 P C 1.129 178.433 177.300 0.007 0.000 1.157 560 P CA 1.912 65.012 63.100 0.000 0.000 0.874 560 P CB 0.298 31.983 31.700 -0.024 0.000 0.790 561 R N -1.213 119.311 120.500 0.041 0.000 2.280 561 R HA 0.070 4.419 4.340 0.014 0.000 0.207 561 R C 0.477 176.769 176.300 -0.014 0.000 1.043 561 R CA 0.200 56.310 56.100 0.016 0.000 1.006 561 R CB -0.518 29.799 30.300 0.029 0.000 0.885 561 R HN 0.243 nan 8.270 nan 0.000 0.467 562 L N 1.994 123.230 121.223 0.022 0.000 2.312 562 L HA 0.120 4.468 4.340 0.014 0.000 0.287 562 L C 0.508 177.253 176.870 -0.209 0.000 1.091 562 L CA 0.171 54.979 54.840 -0.053 0.000 0.846 562 L CB 1.056 43.157 42.059 0.072 0.000 1.219 562 L HN 0.085 nan 8.230 nan 0.000 0.439 563 Q N 2.940 122.541 119.800 -0.332 0.000 2.211 563 Q HA 0.319 4.667 4.340 0.014 0.000 0.231 563 Q C 0.835 176.430 176.000 -0.675 0.000 0.865 563 Q CA 0.082 55.649 55.803 -0.394 0.000 0.997 563 Q CB 1.029 29.623 28.738 -0.240 0.000 1.101 563 Q HN 0.960 nan 8.270 nan 0.000 0.468 564 G N -0.278 107.735 108.800 -1.311 0.000 2.445 564 G HA2 0.083 4.051 3.960 0.014 0.000 0.212 564 G HA3 0.083 4.051 3.960 0.014 0.000 0.212 564 G C -0.243 173.826 174.900 -1.385 0.000 1.217 564 G CA -0.731 43.191 45.100 -1.963 0.000 1.002 564 G HN 0.608 nan 8.290 nan 0.000 0.574 565 G N -2.259 106.035 108.800 -0.844 0.000 2.342 565 G HA2 0.641 4.609 3.960 0.014 0.000 0.297 565 G HA3 0.641 4.609 3.960 0.014 0.000 0.297 565 G C -1.826 173.044 174.900 -0.051 0.000 1.313 565 G CA -0.256 44.591 45.100 -0.422 0.000 0.830 565 G HN 1.149 nan 8.290 nan 0.000 0.506 566 F N 0.542 120.740 119.950 0.413 0.000 2.427 566 F HA 0.544 5.078 4.527 0.013 0.000 0.348 566 F C 0.759 176.860 175.800 0.502 0.000 1.125 566 F CA -0.760 57.509 58.000 0.449 0.000 0.989 566 F CB 2.108 41.266 39.000 0.263 0.000 1.165 566 F HN 0.253 nan 8.300 nan 0.000 0.442 567 V N 3.286 123.506 119.914 0.510 0.000 2.843 567 V HA -0.109 4.019 4.120 0.014 0.000 0.305 567 V C -0.295 175.943 176.094 0.240 0.000 1.065 567 V CA -0.328 62.058 62.300 0.143 0.000 1.116 567 V CB 0.898 32.816 31.823 0.158 0.000 0.968 567 V HN 0.759 nan 8.190 nan 0.000 0.487 568 W N 6.440 127.822 121.300 0.136 0.000 2.278 568 W HA 0.456 5.124 4.660 0.013 0.000 0.317 568 W C -0.860 175.669 176.519 0.017 0.000 1.030 568 W CA -0.620 56.838 57.345 0.188 0.000 1.334 568 W CB 1.217 30.959 29.460 0.470 0.000 1.215 568 W HN 0.921 nan 8.180 nan 0.000 0.405 569 D N 2.713 122.816 120.400 -0.495 0.000 2.825 569 D HA 0.077 4.726 4.640 0.014 0.000 0.327 569 D C 0.616 176.680 176.300 -0.395 0.000 1.277 569 D CA -0.569 53.000 54.000 -0.717 0.000 0.950 569 D CB 0.187 40.009 40.800 -1.629 0.000 1.438 569 D HN 0.389 nan 8.370 nan 0.000 0.526 570 W N 0.518 121.505 121.300 -0.523 0.000 2.413 570 W HA 0.146 4.815 4.660 0.014 0.000 0.315 570 W C -0.186 176.113 176.519 -0.367 0.000 1.186 570 W CA 1.181 58.275 57.345 -0.418 0.000 1.326 570 W CB 0.321 29.556 29.460 -0.374 0.000 1.153 570 W HN 0.161 nan 8.180 nan 0.000 0.489 571 V N 2.725 122.390 119.914 -0.415 0.000 2.709 571 V HA 0.234 4.362 4.120 0.014 0.000 0.308 571 V C -0.946 174.960 176.094 -0.313 0.000 1.062 571 V CA -0.777 61.244 62.300 -0.465 0.000 0.901 571 V CB 1.522 33.193 31.823 -0.254 0.000 1.003 571 V HN -0.111 nan 8.190 nan 0.000 0.425 572 D N 4.124 124.335 120.400 -0.315 0.000 2.493 572 D HA 0.111 4.759 4.640 0.014 0.000 0.240 572 D C 0.313 176.466 176.300 -0.246 0.000 1.142 572 D CA 0.631 54.506 54.000 -0.209 0.000 0.872 572 D CB 0.909 41.668 40.800 -0.069 0.000 1.173 572 D HN 0.603 nan 8.370 nan 0.000 0.467 573 Q N 1.212 120.798 119.800 -0.358 0.000 3.122 573 Q HA 0.136 4.485 4.340 0.014 0.000 0.360 573 Q C -0.099 175.828 176.000 -0.120 0.000 1.300 573 Q CA -0.329 55.010 55.803 -0.772 0.000 0.982 573 Q CB 0.046 28.448 28.738 -0.560 0.000 1.534 573 Q HN 0.362 nan 8.270 nan 0.000 0.474 574 S N -0.166 115.585 115.700 0.084 0.000 2.616 574 S HA 0.643 5.121 4.470 0.014 0.000 0.277 574 S C -0.128 174.649 174.600 0.294 0.000 1.234 574 S CA -0.798 57.575 58.200 0.289 0.000 1.028 574 S CB 1.450 64.803 63.200 0.256 0.000 0.988 574 S HN 0.332 nan 8.310 nan 0.000 0.522 575 L N 1.656 122.985 121.223 0.178 0.000 2.342 575 L HA 0.527 4.875 4.340 0.014 0.000 0.271 575 L C -0.451 176.339 176.870 -0.134 0.000 1.008 575 L CA -1.228 53.596 54.840 -0.027 0.000 0.818 575 L CB 1.376 43.304 42.059 -0.218 0.000 1.296 575 L HN 0.543 nan 8.230 nan 0.000 0.427 576 I N 2.289 122.720 120.570 -0.233 0.000 2.441 576 I HA 0.268 4.447 4.170 0.014 0.000 0.287 576 I C 0.203 175.911 176.117 -0.681 0.000 1.049 576 I CA 0.011 61.035 61.300 -0.459 0.000 1.381 576 I CB 1.046 38.788 38.000 -0.430 0.000 1.409 576 I HN 0.578 nan 8.210 nan 0.000 0.523 577 K N 5.070 124.779 120.400 -1.152 0.000 2.352 577 K HA 0.563 4.891 4.320 0.014 0.000 0.240 577 K C -1.536 174.256 176.600 -1.347 0.000 1.017 577 K CA -0.690 54.842 56.287 -1.259 0.000 0.851 577 K CB 2.163 33.596 32.500 -1.779 0.000 1.261 577 K HN 0.238 nan 8.250 nan 0.000 0.451 578 Y N 0.802 120.860 120.300 -0.404 0.000 2.409 578 Y HA 0.135 4.694 4.550 0.014 0.000 0.343 578 Y C 0.138 176.128 175.900 0.151 0.000 0.973 578 Y CA -1.063 56.980 58.100 -0.095 0.000 1.064 578 Y CB 1.278 39.702 38.460 -0.059 0.000 1.207 578 Y HN 0.679 nan 8.280 nan 0.000 0.452 579 D N 0.172 120.822 120.400 0.416 0.000 2.440 579 D HA 0.060 4.708 4.640 0.014 0.000 0.269 579 D C 0.874 177.288 176.300 0.191 0.000 1.249 579 D CA -0.282 53.916 54.000 0.329 0.000 1.055 579 D CB 0.638 41.563 40.800 0.208 0.000 1.104 579 D HN 0.417 nan 8.370 nan 0.000 0.561 580 E N -0.240 120.031 120.200 0.118 0.000 2.114 580 E HA -0.192 4.167 4.350 0.014 0.000 0.199 580 E C 1.467 178.107 176.600 0.067 0.000 1.008 580 E CA 1.185 57.629 56.400 0.074 0.000 0.810 580 E CB -0.435 29.291 29.700 0.043 0.000 0.739 580 E HN 0.554 nan 8.360 nan 0.000 0.456 581 N N -0.190 118.556 118.700 0.076 0.000 2.550 581 N HA -0.068 4.680 4.740 0.014 0.000 0.186 581 N C 1.324 176.880 175.510 0.077 0.000 1.110 581 N CA 1.003 54.092 53.050 0.065 0.000 0.912 581 N CB 0.383 38.904 38.487 0.058 0.000 0.968 581 N HN 0.265 nan 8.380 nan 0.000 0.448 582 G N 0.698 109.567 108.800 0.114 0.000 2.157 582 G HA2 -0.232 3.737 3.960 0.014 0.000 0.248 582 G HA3 -0.232 3.737 3.960 0.014 0.000 0.248 582 G C -0.349 174.680 174.900 0.216 0.000 0.979 582 G CA -0.380 44.789 45.100 0.114 0.000 0.650 582 G HN 0.335 nan 8.290 nan 0.000 0.529 583 N N 1.998 120.831 118.700 0.221 0.000 2.455 583 N HA 0.448 5.197 4.740 0.014 0.000 0.280 583 N C -2.465 173.192 175.510 0.245 0.000 1.055 583 N CA -1.052 52.127 53.050 0.215 0.000 0.961 583 N CB 2.027 40.603 38.487 0.149 0.000 1.121 583 N HN 0.222 nan 8.380 nan 0.000 0.476 584 P HA 0.301 nan 4.420 nan 0.000 0.277 584 P C -0.545 176.728 177.300 -0.043 0.000 1.240 584 P CA -0.386 62.602 63.100 -0.186 0.000 0.798 584 P CB 0.924 32.496 31.700 -0.213 0.000 0.979 585 W N -0.662 120.405 121.300 -0.388 0.000 3.118 585 W HA 0.430 5.098 4.660 0.014 0.000 0.328 585 W C -1.600 174.746 176.519 -0.289 0.000 1.239 585 W CA -1.057 56.068 57.345 -0.367 0.000 1.176 585 W CB 0.492 29.515 29.460 -0.729 0.000 1.433 585 W HN 0.116 nan 8.180 nan 0.000 0.562 586 S N 1.583 117.368 115.700 0.142 0.000 2.465 586 S HA 0.588 5.066 4.470 0.014 0.000 0.279 586 S C 0.116 174.889 174.600 0.288 0.000 1.201 586 S CA -0.267 58.010 58.200 0.128 0.000 1.053 586 S CB 0.876 64.207 63.200 0.218 0.000 0.953 586 S HN 0.600 nan 8.310 nan 0.000 0.488 587 A N 3.114 125.973 122.820 0.065 0.000 2.325 587 A HA 0.860 5.188 4.320 0.014 0.000 0.333 587 A C -0.662 177.170 177.584 0.412 0.000 1.155 587 A CA -0.731 51.377 52.037 0.117 0.000 0.814 587 A CB 0.623 19.397 19.000 -0.377 0.000 1.206 587 A HN 0.833 nan 8.150 nan 0.000 0.482 588 Y N -0.196 120.423 120.300 0.531 0.000 3.013 588 Y HA 0.792 5.350 4.550 0.014 0.000 0.310 588 Y C 0.688 176.950 175.900 0.603 0.000 1.450 588 Y CA -1.419 56.992 58.100 0.519 0.000 1.091 588 Y CB -0.132 38.462 38.460 0.222 0.000 1.373 588 Y HN 0.856 nan 8.280 nan 0.000 0.590 589 G N -0.363 108.840 108.800 0.672 0.000 2.353 589 G HA2 0.378 4.347 3.960 0.014 0.000 0.239 589 G HA3 0.378 4.347 3.960 0.014 0.000 0.239 589 G C 0.931 176.147 174.900 0.527 0.000 1.295 589 G CA 0.308 45.723 45.100 0.525 0.000 0.884 589 G HN 1.947 nan 8.290 nan 0.000 0.537 590 G N 2.058 111.137 108.800 0.465 0.000 2.253 590 G HA2 -0.283 3.686 3.960 0.014 0.000 0.251 590 G HA3 -0.283 3.686 3.960 0.014 0.000 0.251 590 G C 0.911 175.993 174.900 0.303 0.000 0.998 590 G CA 0.653 45.962 45.100 0.348 0.000 0.621 590 G HN 0.643 nan 8.290 nan 0.000 0.524 591 D N -0.227 120.356 120.400 0.305 0.000 2.392 591 D HA 0.149 4.798 4.640 0.014 0.000 0.228 591 D C 1.175 177.316 176.300 -0.264 0.000 1.003 591 D CA 0.529 54.544 54.000 0.025 0.000 0.917 591 D CB -0.203 40.556 40.800 -0.069 0.000 0.890 591 D HN 0.491 nan 8.370 nan 0.000 0.532 592 F N -1.147 118.928 119.950 0.208 0.000 2.724 592 F HA 0.299 4.834 4.527 0.014 0.000 0.310 592 F C 1.736 177.621 175.800 0.140 0.000 1.107 592 F CA -0.206 57.874 58.000 0.134 0.000 1.218 592 F CB 0.917 39.989 39.000 0.121 0.000 1.042 592 F HN -0.053 nan 8.300 nan 0.000 0.540 593 G N 0.418 109.369 108.800 0.252 0.000 2.179 593 G HA2 -0.270 3.698 3.960 0.014 0.000 0.260 593 G HA3 -0.270 3.698 3.960 0.014 0.000 0.260 593 G C -0.230 174.801 174.900 0.219 0.000 0.977 593 G CA 0.132 45.350 45.100 0.198 0.000 0.641 593 G HN 0.386 nan 8.290 nan 0.000 0.533 594 D N 0.505 121.083 120.400 0.295 0.000 2.425 594 D HA 0.503 5.151 4.640 0.014 0.000 0.247 594 D C 0.130 176.545 176.300 0.191 0.000 1.147 594 D CA 0.948 55.108 54.000 0.267 0.000 0.879 594 D CB 1.649 42.664 40.800 0.358 0.000 1.179 594 D HN 0.324 nan 8.370 nan 0.000 0.456 595 T N 1.059 115.695 114.554 0.137 0.000 3.047 595 T HA 0.401 4.760 4.350 0.014 0.000 0.340 595 T C -2.753 171.978 174.700 0.052 0.000 1.421 595 T CA -1.146 61.006 62.100 0.086 0.000 1.090 595 T CB 1.024 69.946 68.868 0.090 0.000 1.292 595 T HN 0.210 nan 8.240 nan 0.000 0.480 596 P HA 0.458 nan 4.420 nan 0.000 0.270 596 P C -0.900 176.382 177.300 -0.029 0.000 1.223 596 P CA -0.266 62.827 63.100 -0.012 0.000 0.785 596 P CB 0.316 31.982 31.700 -0.056 0.000 0.923 597 N N -1.553 117.126 118.700 -0.034 0.000 2.647 597 N HA 0.326 5.074 4.740 0.014 0.000 0.266 597 N C -1.107 174.330 175.510 -0.122 0.000 1.373 597 N CA -0.793 52.209 53.050 -0.079 0.000 0.807 597 N CB 0.973 39.504 38.487 0.072 0.000 1.513 597 N HN 0.079 nan 8.380 nan 0.000 0.505 598 D N -0.275 119.986 120.400 -0.233 0.000 2.755 598 D HA 0.141 4.789 4.640 0.014 0.000 0.257 598 D C 0.374 176.840 176.300 0.276 0.000 1.291 598 D CA -0.138 53.803 54.000 -0.099 0.000 0.836 598 D CB 0.152 40.740 40.800 -0.354 0.000 1.059 598 D HN 0.725 nan 8.370 nan 0.000 0.486 599 R N 0.687 121.359 120.500 0.287 0.000 3.657 599 R HA -0.310 4.038 4.340 0.014 0.000 0.533 599 R C 0.960 177.291 176.300 0.051 0.000 0.241 599 R CA 1.398 57.674 56.100 0.294 0.000 1.659 599 R CB -1.562 28.826 30.300 0.147 0.000 0.920 599 R HN 0.110 nan 8.270 nan 0.000 0.599 600 Q N 1.413 120.886 119.800 -0.545 0.000 2.466 600 Q HA 0.016 4.364 4.340 0.014 0.000 0.210 600 Q C 1.549 177.275 176.000 -0.457 0.000 0.961 600 Q CA 1.199 56.503 55.803 -0.831 0.000 0.953 600 Q CB -0.015 28.030 28.738 -1.154 0.000 1.011 600 Q HN 0.601 nan 8.270 nan 0.000 0.516 601 F N 1.487 121.357 119.950 -0.133 0.000 2.494 601 F HA -0.128 4.407 4.527 0.014 0.000 0.298 601 F C 2.188 177.930 175.800 -0.097 0.000 1.106 601 F CA 1.037 59.037 58.000 -0.001 0.000 1.452 601 F CB -0.104 38.961 39.000 0.108 0.000 1.085 601 F HN 0.403 nan 8.300 nan 0.000 0.569 602 C N -1.337 117.689 119.300 -0.456 0.000 2.522 602 C HA 0.191 4.660 4.460 0.014 0.000 0.271 602 C C 1.044 175.838 174.990 -0.327 0.000 1.425 602 C CA -0.480 58.075 59.018 -0.773 0.000 1.751 602 C CB -1.666 25.093 27.740 -1.635 0.000 1.775 602 C HN 0.182 nan 8.230 nan 0.000 0.557 603 M N 2.685 122.155 119.600 -0.217 0.000 2.055 603 M HA 0.277 4.766 4.480 0.014 0.000 0.346 603 M C -0.430 175.789 176.300 -0.136 0.000 1.074 603 M CA 0.343 55.555 55.300 -0.147 0.000 1.009 603 M CB 0.059 32.604 32.600 -0.092 0.000 1.423 603 M HN 0.360 nan 8.290 nan 0.000 0.410 604 N N 0.982 119.601 118.700 -0.135 0.000 2.305 604 N HA 0.213 4.962 4.740 0.014 0.000 0.248 604 N C 0.257 175.602 175.510 -0.275 0.000 1.290 604 N CA -0.546 52.392 53.050 -0.186 0.000 0.873 604 N CB 1.239 39.699 38.487 -0.044 0.000 1.261 604 N HN 0.659 nan 8.380 nan 0.000 0.504 605 G N -0.107 108.501 108.800 -0.321 0.000 2.477 605 G HA2 0.386 4.355 3.960 0.014 0.000 0.304 605 G HA3 0.386 4.355 3.960 0.014 0.000 0.304 605 G C 0.656 175.159 174.900 -0.661 0.000 1.175 605 G CA -0.567 44.231 45.100 -0.503 0.000 0.907 605 G HN 0.091 nan 8.290 nan 0.000 0.509 606 L N -0.262 120.542 121.223 -0.699 0.000 2.341 606 L HA 0.122 4.471 4.340 0.014 0.000 0.214 606 L C 0.823 177.074 176.870 -1.031 0.000 1.115 606 L CA 0.393 54.829 54.840 -0.673 0.000 0.820 606 L CB -0.209 41.565 42.059 -0.475 0.000 0.944 606 L HN 0.381 nan 8.230 nan 0.000 0.452 607 V N -4.967 114.214 119.914 -1.221 0.000 2.914 607 V HA 0.466 4.595 4.120 0.014 0.000 0.314 607 V C -0.190 175.366 176.094 -0.897 0.000 1.084 607 V CA -1.261 60.426 62.300 -1.020 0.000 0.963 607 V CB 1.586 32.894 31.823 -0.859 0.000 1.025 607 V HN -0.138 nan 8.190 nan 0.000 0.432 608 F N 1.598 121.312 119.950 -0.392 0.000 2.480 608 F HA 0.527 5.063 4.527 0.015 0.000 0.319 608 F C 1.995 177.694 175.800 -0.168 0.000 1.230 608 F CA 0.648 58.578 58.000 -0.117 0.000 1.285 608 F CB 0.738 39.733 39.000 -0.008 0.000 1.208 608 F HN 0.772 nan 8.300 nan 0.000 0.579 609 A N 0.617 123.513 122.820 0.127 0.000 2.032 609 A HA -0.224 4.104 4.320 0.014 0.000 0.221 609 A C 1.564 179.128 177.584 -0.034 0.000 1.165 609 A CA 1.939 54.007 52.037 0.052 0.000 0.645 609 A CB -0.964 18.104 19.000 0.113 0.000 0.807 609 A HN 0.779 nan 8.150 nan 0.000 0.453 610 D N -3.138 117.259 120.400 -0.005 0.000 2.325 610 D HA 0.181 4.829 4.640 0.014 0.000 0.225 610 D C 0.598 176.883 176.300 -0.026 0.000 1.096 610 D CA -0.088 53.878 54.000 -0.057 0.000 0.844 610 D CB -0.024 40.747 40.800 -0.049 0.000 0.925 610 D HN 0.191 nan 8.370 nan 0.000 0.513 611 R N -1.856 118.630 120.500 -0.024 0.000 3.804 611 R HA -0.117 4.231 4.340 0.014 0.000 0.459 611 R C -0.256 176.041 176.300 -0.006 0.000 1.009 611 R CA 1.046 57.125 56.100 -0.034 0.000 1.210 611 R CB -3.237 27.081 30.300 0.030 0.000 1.860 611 R HN 0.241 nan 8.270 nan 0.000 0.526 612 T N 2.591 117.182 114.554 0.062 0.000 2.884 612 T HA 0.379 4.737 4.350 0.014 0.000 0.298 612 T C -2.336 172.461 174.700 0.162 0.000 0.998 612 T CA -0.873 61.293 62.100 0.109 0.000 1.124 612 T CB 1.098 70.025 68.868 0.100 0.000 0.931 612 T HN -0.106 nan 8.240 nan 0.000 0.531 613 P HA 0.212 nan 4.420 nan 0.000 0.275 613 P C -0.183 177.168 177.300 0.085 0.000 1.228 613 P CA -0.298 62.789 63.100 -0.022 0.000 0.786 613 P CB 0.437 32.134 31.700 -0.004 0.000 0.927 614 H N 2.499 121.410 119.070 -0.266 0.000 2.546 614 H HA 0.109 4.673 4.556 0.014 0.000 0.365 614 H C -1.302 173.934 175.328 -0.152 0.000 1.220 614 H CA -1.835 54.024 56.048 -0.315 0.000 1.386 614 H CB 0.227 29.762 29.762 -0.379 0.000 1.510 614 H HN 0.340 nan 8.280 nan 0.000 0.591 615 P HA -0.161 nan 4.420 nan 0.000 0.218 615 P C 1.072 178.377 177.300 0.009 0.000 1.148 615 P CA 1.495 64.595 63.100 -0.000 0.000 0.822 615 P CB 0.048 31.750 31.700 0.003 0.000 0.784 616 A N -0.821 122.007 122.820 0.014 0.000 2.125 616 A HA -0.163 4.166 4.320 0.014 0.000 0.219 616 A C 2.014 179.551 177.584 -0.079 0.000 1.156 616 A CA 1.010 53.018 52.037 -0.049 0.000 0.671 616 A CB -1.508 17.441 19.000 -0.085 0.000 0.794 616 A HN 0.163 nan 8.150 nan 0.000 0.459 617 L N -0.322 120.873 121.223 -0.046 0.000 2.083 617 L HA -0.100 4.248 4.340 0.014 0.000 0.209 617 L C 2.340 179.251 176.870 0.069 0.000 1.083 617 L CA 2.677 57.519 54.840 0.003 0.000 0.752 617 L CB -0.787 41.271 42.059 -0.001 0.000 0.899 617 L HN 0.344 nan 8.230 nan 0.000 0.433 618 T N -1.316 113.288 114.554 0.084 0.000 2.951 618 T HA -0.139 4.219 4.350 0.014 0.000 0.268 618 T C 1.677 176.492 174.700 0.191 0.000 1.073 618 T CA 1.197 63.411 62.100 0.190 0.000 1.134 618 T CB -0.091 68.872 68.868 0.158 0.000 0.884 618 T HN 0.326 nan 8.240 nan 0.000 0.479 619 E N 1.675 121.922 120.200 0.078 0.000 2.072 619 E HA 0.008 4.366 4.350 0.014 0.000 0.191 619 E C 2.229 178.832 176.600 0.004 0.000 0.985 619 E CA 1.196 57.640 56.400 0.074 0.000 0.801 619 E CB -0.461 29.245 29.700 0.011 0.000 0.750 619 E HN 0.441 nan 8.360 nan 0.000 0.452 620 A N 0.989 123.708 122.820 -0.168 0.000 1.898 620 A HA -0.187 4.141 4.320 0.014 0.000 0.216 620 A C 2.155 179.619 177.584 -0.201 0.000 1.181 620 A CA 1.793 53.669 52.037 -0.269 0.000 0.620 620 A CB -0.605 18.236 19.000 -0.265 0.000 0.819 620 A HN 0.255 nan 8.150 nan 0.000 0.442 621 K N -1.120 119.238 120.400 -0.070 0.000 2.063 621 K HA -0.293 4.035 4.320 0.014 0.000 0.208 621 K C 2.026 178.515 176.600 -0.184 0.000 1.048 621 K CA 2.059 58.313 56.287 -0.055 0.000 0.928 621 K CB -0.346 32.280 32.500 0.210 0.000 0.713 621 K HN 0.644 nan 8.250 nan 0.000 0.442 622 H N 0.292 119.175 119.070 -0.312 0.000 2.357 622 H HA 0.004 4.569 4.556 0.015 0.000 0.301 622 H C 1.931 176.990 175.328 -0.447 0.000 1.082 622 H CA 1.658 57.330 56.048 -0.626 0.000 1.342 622 H CB 0.146 29.571 29.762 -0.562 0.000 1.389 622 H HN 0.234 nan 8.280 nan 0.000 0.511 623 Q N 0.207 119.770 119.800 -0.394 0.000 2.224 623 Q HA -0.076 4.272 4.340 0.014 0.000 0.203 623 Q C 1.393 176.887 176.000 -0.843 0.000 0.970 623 Q CA 1.067 56.578 55.803 -0.487 0.000 0.865 623 Q CB 0.104 28.730 28.738 -0.187 0.000 0.922 623 Q HN 0.704 nan 8.270 nan 0.000 0.445 624 Q N 0.256 119.509 119.800 -0.912 0.000 2.247 624 Q HA 0.081 4.429 4.340 0.014 0.000 0.205 624 Q C -0.082 175.376 176.000 -0.903 0.000 0.896 624 Q CA -0.199 54.899 55.803 -1.174 0.000 0.950 624 Q CB 0.354 28.440 28.738 -1.087 0.000 1.054 624 Q HN 0.375 nan 8.270 nan 0.000 0.482 625 Q N -0.593 118.824 119.800 -0.639 0.000 2.479 625 Q HA -0.013 4.335 4.340 0.014 0.000 0.267 625 Q C -0.101 175.545 176.000 -0.591 0.000 1.071 625 Q CA 0.422 55.979 55.803 -0.410 0.000 0.935 625 Q CB 0.453 29.032 28.738 -0.265 0.000 1.295 625 Q HN 0.296 nan 8.270 nan 0.000 0.476 626 F N -0.294 119.421 119.950 -0.392 0.000 2.695 626 F HA 0.252 4.788 4.527 0.014 0.000 0.303 626 F C -0.267 174.928 175.800 -1.009 0.000 1.091 626 F CA -0.075 57.449 58.000 -0.793 0.000 1.300 626 F CB 0.631 38.854 39.000 -1.295 0.000 1.071 626 F HN 0.287 nan 8.300 nan 0.000 0.578 627 F N 0.430 120.292 119.950 -0.147 0.000 2.520 627 F HA 0.501 5.037 4.527 0.015 0.000 0.322 627 F C -0.086 175.366 175.800 -0.581 0.000 1.103 627 F CA -1.104 56.696 58.000 -0.333 0.000 0.926 627 F CB 1.292 40.073 39.000 -0.365 0.000 1.154 627 F HN -0.316 nan 8.300 nan 0.000 0.453 628 Q N 2.839 122.398 119.800 -0.402 0.000 2.301 628 Q HA 0.607 4.955 4.340 0.014 0.000 0.267 628 Q C -1.354 174.410 176.000 -0.393 0.000 1.035 628 Q CA -0.646 54.968 55.803 -0.315 0.000 0.856 628 Q CB 2.913 31.583 28.738 -0.114 0.000 1.337 628 Q HN 0.587 nan 8.270 nan 0.000 0.450 629 F N 0.362 120.440 119.950 0.214 0.000 2.576 629 F HA 0.596 5.132 4.527 0.015 0.000 0.313 629 F C 0.264 176.291 175.800 0.378 0.000 1.078 629 F CA -1.028 57.164 58.000 0.320 0.000 0.921 629 F CB 1.822 41.133 39.000 0.519 0.000 1.232 629 F HN 0.093 nan 8.300 nan 0.000 0.459 630 R N 1.600 122.389 120.500 0.482 0.000 2.771 630 R HA 0.674 5.022 4.340 0.014 0.000 0.274 630 R C -1.950 174.373 176.300 0.038 0.000 0.987 630 R CA -1.153 55.139 56.100 0.320 0.000 0.908 630 R CB 2.496 32.898 30.300 0.170 0.000 1.213 630 R HN 0.641 nan 8.270 nan 0.000 0.468 631 L N -0.018 121.093 121.223 -0.187 0.000 2.362 631 L HA 0.613 4.961 4.340 0.014 0.000 0.275 631 L C -0.870 175.839 176.870 -0.268 0.000 0.998 631 L CA 0.056 54.591 54.840 -0.508 0.000 0.820 631 L CB 2.199 43.565 42.059 -1.155 0.000 1.270 631 L HN 0.532 nan 8.230 nan 0.000 0.415 632 S N 3.477 119.046 115.700 -0.218 0.000 2.746 632 S HA 0.694 5.172 4.470 0.014 0.000 0.273 632 S C 0.263 174.775 174.600 -0.145 0.000 1.172 632 S CA 0.226 58.342 58.200 -0.140 0.000 1.116 632 S CB 0.395 63.547 63.200 -0.081 0.000 1.057 632 S HN 1.480 nan 8.310 nan 0.000 0.483 633 G N 4.470 113.185 108.800 -0.142 0.000 2.595 633 G HA2 -0.323 3.646 3.960 0.014 0.000 0.297 633 G HA3 -0.323 3.646 3.960 0.014 0.000 0.297 633 G C 0.235 175.033 174.900 -0.170 0.000 1.181 633 G CA 0.760 45.783 45.100 -0.129 0.000 0.963 633 G HN 0.988 nan 8.290 nan 0.000 0.541 634 Q N -0.470 119.232 119.800 -0.164 0.000 2.135 634 Q HA 0.548 4.897 4.340 0.014 0.000 0.231 634 Q C -0.069 175.794 176.000 -0.227 0.000 0.817 634 Q CA 0.490 56.168 55.803 -0.209 0.000 1.073 634 Q CB 0.542 29.160 28.738 -0.200 0.000 1.176 634 Q HN 0.459 nan 8.270 nan 0.000 0.478 635 T N 1.421 115.856 114.554 -0.198 0.000 2.767 635 T HA 0.533 4.892 4.350 0.014 0.000 0.284 635 T C -0.299 174.283 174.700 -0.196 0.000 0.973 635 T CA -0.415 61.584 62.100 -0.169 0.000 0.996 635 T CB 0.990 69.789 68.868 -0.114 0.000 0.927 635 T HN 0.234 nan 8.240 nan 0.000 0.456 636 I N 2.723 123.187 120.570 -0.176 0.000 2.359 636 I HA 0.316 4.495 4.170 0.014 0.000 0.294 636 I C 0.511 176.624 176.117 -0.007 0.000 0.987 636 I CA -0.645 60.569 61.300 -0.144 0.000 1.225 636 I CB 1.452 39.380 38.000 -0.120 0.000 1.366 636 I HN 0.577 nan 8.210 nan 0.000 0.466 637 E N 6.495 126.726 120.200 0.051 0.000 2.134 637 E HA 0.423 4.782 4.350 0.014 0.000 0.278 637 E C -1.541 175.160 176.600 0.167 0.000 0.959 637 E CA -0.584 55.868 56.400 0.086 0.000 0.783 637 E CB 1.584 31.320 29.700 0.061 0.000 1.095 637 E HN 0.339 nan 8.360 nan 0.000 0.399 638 V N 4.201 124.195 119.914 0.133 0.000 2.398 638 V HA 0.319 4.447 4.120 0.014 0.000 0.286 638 V C -0.032 176.087 176.094 0.041 0.000 1.026 638 V CA -0.551 61.800 62.300 0.084 0.000 0.868 638 V CB 1.734 33.624 31.823 0.111 0.000 0.982 638 V HN 0.706 nan 8.190 nan 0.000 0.443 639 T N 3.241 117.784 114.554 -0.018 0.000 2.807 639 T HA 0.338 4.697 4.350 0.014 0.000 0.279 639 T C -0.045 174.665 174.700 0.017 0.000 0.993 639 T CA -0.265 61.838 62.100 0.005 0.000 0.970 639 T CB 1.563 70.416 68.868 -0.024 0.000 0.950 639 T HN 0.687 nan 8.240 nan 0.000 0.441 640 S N 1.824 117.550 115.700 0.043 0.000 2.513 640 S HA 0.202 4.681 4.470 0.014 0.000 0.276 640 S C 0.829 175.325 174.600 -0.172 0.000 1.254 640 S CA -0.517 57.655 58.200 -0.046 0.000 1.053 640 S CB 0.556 63.807 63.200 0.084 0.000 0.958 640 S HN 0.721 nan 8.310 nan 0.000 0.491 641 E N 3.010 123.000 120.200 -0.350 0.000 2.474 641 E HA 0.084 4.443 4.350 0.014 0.000 0.195 641 E C -0.661 175.770 176.600 -0.281 0.000 1.039 641 E CA -0.095 56.127 56.400 -0.297 0.000 0.881 641 E CB 0.267 29.760 29.700 -0.345 0.000 0.970 641 E HN 0.706 nan 8.360 nan 0.000 0.486 642 Y N 0.353 120.548 120.300 -0.176 0.000 2.457 642 Y HA -0.021 4.537 4.550 0.014 0.000 0.341 642 Y C 1.463 177.215 175.900 -0.247 0.000 1.240 642 Y CA 0.086 58.087 58.100 -0.165 0.000 1.437 642 Y CB 0.731 39.079 38.460 -0.188 0.000 1.328 642 Y HN -0.046 nan 8.280 nan 0.000 0.588 643 L N 0.942 122.012 121.223 -0.254 0.000 2.463 643 L HA 0.071 4.420 4.340 0.014 0.000 0.219 643 L C 0.641 177.072 176.870 -0.731 0.000 1.088 643 L CA 0.600 55.047 54.840 -0.656 0.000 0.849 643 L CB 0.046 41.334 42.059 -1.284 0.000 1.012 643 L HN 0.654 nan 8.230 nan 0.000 0.468 644 F N -0.528 119.448 119.950 0.042 0.000 2.658 644 F HA 0.203 4.738 4.527 0.013 0.000 0.293 644 F C 1.223 177.014 175.800 -0.015 0.000 0.986 644 F CA -0.800 57.196 58.000 -0.007 0.000 1.182 644 F CB 0.366 39.339 39.000 -0.045 0.000 0.965 644 F HN -0.156 nan 8.300 nan 0.000 0.659 645 R N 0.373 120.929 120.500 0.094 0.000 2.486 645 R HA 0.431 4.779 4.340 0.014 0.000 0.286 645 R C -0.896 175.405 176.300 0.002 0.000 0.999 645 R CA -0.633 55.463 56.100 -0.006 0.000 0.993 645 R CB 0.865 31.049 30.300 -0.193 0.000 1.084 645 R HN 0.077 nan 8.270 nan 0.000 0.487 646 H N 0.667 119.719 119.070 -0.030 0.000 2.546 646 H HA 0.092 4.657 4.556 0.014 0.000 0.365 646 H C 0.006 175.343 175.328 0.014 0.000 1.220 646 H CA 0.250 56.309 56.048 0.018 0.000 1.386 646 H CB 1.156 30.932 29.762 0.024 0.000 1.510 646 H HN 0.764 nan 8.280 nan 0.000 0.591 647 S N 1.739 117.311 115.700 -0.213 0.000 4.183 647 S HA -0.017 4.461 4.470 0.014 0.000 0.195 647 S C -0.022 174.678 174.600 0.167 0.000 1.421 647 S CA -0.251 57.985 58.200 0.060 0.000 0.920 647 S CB -0.778 62.475 63.200 0.089 0.000 1.525 647 S HN 0.703 nan 8.310 nan 0.000 0.447 648 D N 0.671 121.189 120.400 0.196 0.000 2.325 648 D HA 0.046 4.694 4.640 0.014 0.000 0.234 648 D C 0.326 176.685 176.300 0.098 0.000 1.122 648 D CA -0.198 53.906 54.000 0.174 0.000 0.850 648 D CB -0.360 40.519 40.800 0.132 0.000 0.921 648 D HN 0.503 nan 8.370 nan 0.000 0.513 649 N N 0.094 118.851 118.700 0.095 0.000 2.620 649 N HA 0.144 4.892 4.740 0.014 0.000 0.277 649 N C -1.593 173.979 175.510 0.103 0.000 1.726 649 N CA -0.201 52.897 53.050 0.080 0.000 0.840 649 N CB 0.296 38.822 38.487 0.065 0.000 1.379 649 N HN -0.067 nan 8.380 nan 0.000 0.506 650 E N -0.102 120.149 120.200 0.085 0.000 2.352 650 E HA 0.521 4.880 4.350 0.014 0.000 0.280 650 E C -1.627 174.990 176.600 0.028 0.000 0.930 650 E CA -0.750 55.690 56.400 0.065 0.000 0.765 650 E CB 2.231 31.930 29.700 -0.003 0.000 1.219 650 E HN 0.273 nan 8.360 nan 0.000 0.434 651 L N 1.127 122.372 121.223 0.037 0.000 2.409 651 L HA 0.726 5.075 4.340 0.014 0.000 0.262 651 L C -1.915 174.965 176.870 0.017 0.000 0.992 651 L CA -0.855 53.983 54.840 -0.004 0.000 0.817 651 L CB 1.501 43.542 42.059 -0.030 0.000 1.350 651 L HN 0.574 nan 8.230 nan 0.000 0.411 652 L N 3.269 124.491 121.223 -0.002 0.000 2.282 652 L HA 0.603 4.951 4.340 0.014 0.000 0.288 652 L C -0.946 175.947 176.870 0.038 0.000 1.033 652 L CA 0.200 55.097 54.840 0.095 0.000 0.807 652 L CB 0.679 42.826 42.059 0.147 0.000 1.209 652 L HN 0.767 nan 8.230 nan 0.000 0.423 653 H N 4.486 123.641 119.070 0.142 0.000 2.472 653 H HA 0.589 5.153 4.556 0.014 0.000 0.338 653 H C -1.097 174.340 175.328 0.182 0.000 1.133 653 H CA -0.303 55.795 56.048 0.083 0.000 1.216 653 H CB 1.063 30.823 29.762 -0.004 0.000 1.497 653 H HN 0.618 nan 8.280 nan 0.000 0.500 654 W N 4.189 125.583 121.300 0.157 0.000 2.936 654 W HA 0.613 5.282 4.660 0.014 0.000 0.338 654 W C -1.697 174.885 176.519 0.106 0.000 1.121 654 W CA -1.352 56.065 57.345 0.120 0.000 1.209 654 W CB 1.265 30.775 29.460 0.083 0.000 1.420 654 W HN 0.622 nan 8.180 nan 0.000 0.516 655 M N 2.487 122.289 119.600 0.337 0.000 2.421 655 M HA 0.697 5.185 4.480 0.014 0.000 0.287 655 M C -2.421 174.076 176.300 0.327 0.000 1.183 655 M CA -0.851 54.530 55.300 0.135 0.000 0.916 655 M CB 2.058 34.634 32.600 -0.041 0.000 1.701 655 M HN 0.138 nan 8.290 nan 0.000 0.470 656 V N 2.267 122.356 119.914 0.290 0.000 2.495 656 V HA 0.949 5.077 4.120 0.014 0.000 0.298 656 V C -0.346 175.858 176.094 0.184 0.000 1.031 656 V CA -0.373 62.102 62.300 0.292 0.000 0.871 656 V CB 1.575 33.602 31.823 0.339 0.000 0.988 656 V HN 1.050 nan 8.190 nan 0.000 0.432 657 A N 4.372 127.310 122.820 0.196 0.000 2.435 657 A HA 0.879 5.208 4.320 0.014 0.000 0.304 657 A C -1.433 176.265 177.584 0.189 0.000 1.064 657 A CA -0.626 51.495 52.037 0.140 0.000 0.727 657 A CB 1.695 20.739 19.000 0.073 0.000 1.284 657 A HN 0.833 nan 8.150 nan 0.000 0.415 658 L N 1.703 123.007 121.223 0.135 0.000 2.262 658 L HA 0.490 4.838 4.340 0.014 0.000 0.288 658 L C -0.522 176.444 176.870 0.161 0.000 1.035 658 L CA 0.275 55.206 54.840 0.151 0.000 0.820 658 L CB 0.118 42.234 42.059 0.095 0.000 1.204 658 L HN 0.756 nan 8.230 nan 0.000 0.424 659 D N 4.782 125.345 120.400 0.272 0.000 2.692 659 D HA -0.214 4.434 4.640 0.014 0.000 0.233 659 D C 1.161 177.517 176.300 0.094 0.000 1.172 659 D CA 1.441 55.606 54.000 0.274 0.000 0.636 659 D CB -1.077 39.844 40.800 0.201 0.000 1.028 659 D HN 1.165 nan 8.370 nan 0.000 0.419 660 G N -0.760 108.053 108.800 0.023 0.000 2.241 660 G HA2 -0.343 3.625 3.960 0.014 0.000 0.244 660 G HA3 -0.343 3.625 3.960 0.014 0.000 0.244 660 G C 0.174 174.998 174.900 -0.127 0.000 0.998 660 G CA 0.402 45.399 45.100 -0.172 0.000 0.621 660 G HN 0.506 nan 8.290 nan 0.000 0.519 661 K N 1.844 122.219 120.400 -0.041 0.000 2.234 661 K HA 0.497 4.826 4.320 0.014 0.000 0.277 661 K C -2.843 173.749 176.600 -0.014 0.000 1.038 661 K CA -1.984 54.281 56.287 -0.037 0.000 0.888 661 K CB 1.783 34.276 32.500 -0.011 0.000 1.091 661 K HN 0.032 nan 8.250 nan 0.000 0.467 662 P HA -0.074 nan 4.420 nan 0.000 0.261 662 P C 0.057 177.357 177.300 0.000 0.000 1.183 662 P CA 0.051 63.135 63.100 -0.027 0.000 0.761 662 P CB 0.568 32.232 31.700 -0.060 0.000 0.785 663 L N 2.055 123.295 121.223 0.029 0.000 2.526 663 L HA 0.492 4.840 4.340 0.014 0.000 0.210 663 L C 0.635 177.537 176.870 0.052 0.000 1.048 663 L CA 0.765 55.635 54.840 0.050 0.000 0.852 663 L CB 0.208 42.320 42.059 0.089 0.000 1.128 663 L HN 0.419 nan 8.230 nan 0.000 0.482 664 A N -0.897 121.955 122.820 0.053 0.000 2.586 664 A HA 0.610 4.939 4.320 0.014 0.000 0.291 664 A C -1.007 176.456 177.584 -0.202 0.000 1.062 664 A CA 0.292 52.342 52.037 0.022 0.000 0.666 664 A CB 1.454 20.582 19.000 0.213 0.000 1.281 664 A HN 0.188 nan 8.150 nan 0.000 0.421 665 S N -0.992 114.361 115.700 -0.579 0.000 2.627 665 S HA 0.923 5.401 4.470 0.014 0.000 0.268 665 S C -0.311 173.481 174.600 -1.346 0.000 1.130 665 S CA 0.220 57.722 58.200 -1.163 0.000 0.819 665 S CB 0.828 63.695 63.200 -0.555 0.000 1.100 665 S HN 2.745 nan 8.310 nan 0.000 0.465 666 G N 0.124 107.938 108.800 -1.644 0.000 2.430 666 G HA2 0.643 4.611 3.960 0.014 0.000 0.300 666 G HA3 0.643 4.611 3.960 0.014 0.000 0.300 666 G C -2.301 172.273 174.900 -0.544 0.000 1.330 666 G CA -0.532 44.079 45.100 -0.815 0.000 0.813 666 G HN 1.120 nan 8.290 nan 0.000 0.487 667 E N -1.591 118.532 120.200 -0.128 0.000 2.356 667 E HA 0.725 5.084 4.350 0.014 0.000 0.275 667 E C -1.599 175.020 176.600 0.031 0.000 0.904 667 E CA -1.091 55.237 56.400 -0.120 0.000 0.757 667 E CB 3.057 32.512 29.700 -0.409 0.000 1.232 667 E HN 0.475 nan 8.360 nan 0.000 0.442 668 V N 1.672 121.596 119.914 0.016 0.000 2.777 668 V HA 0.414 4.543 4.120 0.014 0.000 0.306 668 V C -2.523 173.575 176.094 0.006 0.000 1.112 668 V CA -1.855 60.471 62.300 0.044 0.000 0.917 668 V CB 2.226 34.110 31.823 0.101 0.000 1.018 668 V HN 0.669 nan 8.190 nan 0.000 0.426 669 P HA 0.341 nan 4.420 nan 0.000 0.275 669 P C -0.853 176.461 177.300 0.022 0.000 1.228 669 P CA -0.190 62.916 63.100 0.011 0.000 0.786 669 P CB 0.758 32.473 31.700 0.025 0.000 0.927 670 L N 2.591 123.819 121.223 0.010 0.000 2.289 670 L HA 0.353 4.701 4.340 0.014 0.000 0.285 670 L C 0.329 177.218 176.870 0.031 0.000 1.049 670 L CA -0.009 54.827 54.840 -0.007 0.000 0.804 670 L CB 0.939 42.938 42.059 -0.100 0.000 1.195 670 L HN 0.333 nan 8.230 nan 0.000 0.428 671 D N 3.511 123.939 120.400 0.047 0.000 2.405 671 D HA 0.255 4.904 4.640 0.014 0.000 0.264 671 D C -1.443 174.862 176.300 0.009 0.000 1.240 671 D CA -0.081 53.994 54.000 0.125 0.000 0.893 671 D CB 1.371 42.279 40.800 0.180 0.000 1.198 671 D HN 0.122 nan 8.370 nan 0.000 0.514 672 V N 2.063 121.836 119.914 -0.235 0.000 2.540 672 V HA 0.866 4.995 4.120 0.014 0.000 0.302 672 V C -0.110 175.720 176.094 -0.440 0.000 1.035 672 V CA -0.451 61.741 62.300 -0.180 0.000 0.873 672 V CB 1.366 33.198 31.823 0.016 0.000 0.992 672 V HN 0.544 nan 8.190 nan 0.000 0.428 673 A N 8.783 131.498 122.820 -0.175 0.000 2.346 673 A HA 0.692 5.020 4.320 0.014 0.000 0.252 673 A C -2.395 175.183 177.584 -0.010 0.000 1.089 673 A CA -1.290 50.729 52.037 -0.030 0.000 0.797 673 A CB -0.115 18.953 19.000 0.113 0.000 1.047 673 A HN 0.775 nan 8.150 nan 0.000 0.494 674 P HA 0.015 nan 4.420 nan 0.000 0.264 674 P C -0.537 176.756 177.300 -0.010 0.000 1.193 674 P CA 0.565 63.676 63.100 0.019 0.000 0.763 674 P CB 0.695 32.393 31.700 -0.004 0.000 0.810 675 Q N -0.989 118.794 119.800 -0.029 0.000 2.305 675 Q HA -0.170 4.179 4.340 0.014 0.000 0.203 675 Q C 0.783 176.776 176.000 -0.012 0.000 0.663 675 Q CA 1.802 57.581 55.803 -0.040 0.000 1.389 675 Q CB -2.542 26.167 28.738 -0.049 0.000 1.566 675 Q HN 0.768 nan 8.270 nan 0.000 0.755 676 G N 0.168 108.973 108.800 0.008 0.000 2.537 676 G HA2 0.548 4.517 3.960 0.014 0.000 0.297 676 G HA3 0.548 4.517 3.960 0.014 0.000 0.297 676 G C -0.169 174.747 174.900 0.026 0.000 1.310 676 G CA -0.506 44.606 45.100 0.019 0.000 1.027 676 G HN -0.009 nan 8.290 nan 0.000 0.505 677 K N -0.875 119.543 120.400 0.031 0.000 2.444 677 K HA 0.501 4.830 4.320 0.014 0.000 0.252 677 K C -1.073 175.551 176.600 0.040 0.000 0.993 677 K CA -0.649 55.660 56.287 0.036 0.000 0.847 677 K CB 2.574 35.090 32.500 0.027 0.000 1.340 677 K HN 0.558 nan 8.250 nan 0.000 0.446 678 Q N 2.136 121.963 119.800 0.046 0.000 2.309 678 Q HA 0.384 4.732 4.340 0.014 0.000 0.273 678 Q C -1.804 174.221 176.000 0.042 0.000 1.040 678 Q CA -0.647 55.182 55.803 0.043 0.000 0.834 678 Q CB 1.565 30.331 28.738 0.047 0.000 1.345 678 Q HN 0.525 nan 8.270 nan 0.000 0.414 679 L N 4.719 125.957 121.223 0.026 0.000 2.296 679 L HA 0.586 4.935 4.340 0.014 0.000 0.286 679 L C -0.597 176.272 176.870 -0.002 0.000 1.023 679 L CA -0.731 54.114 54.840 0.008 0.000 0.812 679 L CB 1.323 43.379 42.059 -0.006 0.000 1.223 679 L HN 0.582 nan 8.230 nan 0.000 0.421 680 I N 3.283 123.841 120.570 -0.019 0.000 2.410 680 I HA 0.199 4.377 4.170 0.014 0.000 0.286 680 I C -0.299 175.755 176.117 -0.106 0.000 1.009 680 I CA -0.476 60.798 61.300 -0.044 0.000 1.111 680 I CB 1.785 39.770 38.000 -0.026 0.000 1.262 680 I HN 0.529 nan 8.210 nan 0.000 0.443 681 E N 7.503 127.640 120.200 -0.105 0.000 2.130 681 E HA 0.326 4.684 4.350 0.014 0.000 0.284 681 E C -0.383 176.097 176.600 -0.200 0.000 1.018 681 E CA -0.507 55.809 56.400 -0.139 0.000 0.817 681 E CB 1.622 31.266 29.700 -0.093 0.000 1.078 681 E HN 0.510 nan 8.360 nan 0.000 0.396 682 L N 4.667 125.706 121.223 -0.306 0.000 2.461 682 L HA 0.128 4.476 4.340 0.014 0.000 0.272 682 L C -1.840 174.857 176.870 -0.288 0.000 1.197 682 L CA -1.520 53.035 54.840 -0.475 0.000 0.836 682 L CB 0.137 41.808 42.059 -0.646 0.000 1.105 682 L HN 0.172 nan 8.230 nan 0.000 0.477 683 P HA -0.011 nan 4.420 nan 0.000 0.271 683 P C -0.577 176.679 177.300 -0.073 0.000 1.233 683 P CA -0.351 62.710 63.100 -0.065 0.000 0.789 683 P CB 0.394 32.134 31.700 0.067 0.000 0.951 684 E N 1.156 121.339 120.200 -0.030 0.000 2.376 684 E HA 0.075 4.433 4.350 0.014 0.000 0.266 684 E C -0.941 175.664 176.600 0.010 0.000 1.009 684 E CA -0.054 56.331 56.400 -0.024 0.000 0.902 684 E CB 0.128 29.820 29.700 -0.013 0.000 0.972 684 E HN 0.217 nan 8.360 nan 0.000 0.439 685 L N 6.058 127.285 121.223 0.005 0.000 2.344 685 L HA 0.425 4.773 4.340 0.014 0.000 0.272 685 L C -2.017 174.876 176.870 0.040 0.000 1.035 685 L CA -2.013 52.854 54.840 0.045 0.000 0.807 685 L CB 0.997 43.096 42.059 0.067 0.000 1.237 685 L HN 0.507 nan 8.230 nan 0.000 0.442 686 P HA 0.112 nan 4.420 nan 0.000 0.271 686 P C -1.482 175.839 177.300 0.035 0.000 1.218 686 P CA -0.437 62.687 63.100 0.040 0.000 0.780 686 P CB 0.386 32.112 31.700 0.043 0.000 0.901 687 Q N 2.944 122.759 119.800 0.025 0.000 2.331 687 Q HA 0.370 4.718 4.340 0.014 0.000 0.257 687 Q C -2.187 173.827 176.000 0.022 0.000 0.957 687 Q CA -1.717 54.098 55.803 0.020 0.000 0.923 687 Q CB 0.881 29.626 28.738 0.012 0.000 1.212 687 Q HN 0.377 nan 8.270 nan 0.000 0.443 688 P HA 0.254 nan 4.420 nan 0.000 0.300 688 P C -0.635 176.678 177.300 0.023 0.000 1.356 688 P CA -0.533 62.584 63.100 0.027 0.000 0.823 688 P CB 1.090 32.812 31.700 0.035 0.000 0.934 689 E N 0.238 120.449 120.200 0.020 0.000 2.489 689 E HA 0.025 4.383 4.350 0.014 0.000 0.193 689 E C 0.760 177.372 176.600 0.020 0.000 1.057 689 E CA -0.107 56.303 56.400 0.017 0.000 0.866 689 E CB -0.025 29.683 29.700 0.013 0.000 0.916 689 E HN 0.311 nan 8.360 nan 0.000 0.500 690 S N 1.329 117.044 115.700 0.024 0.000 2.515 690 S HA 0.337 4.816 4.470 0.014 0.000 0.285 690 S C 0.456 175.076 174.600 0.033 0.000 1.265 690 S CA -0.440 57.777 58.200 0.028 0.000 1.079 690 S CB 0.148 63.366 63.200 0.030 0.000 0.877 690 S HN 0.339 nan 8.310 nan 0.000 0.493 691 A N 4.289 127.129 122.820 0.034 0.000 2.507 691 A HA 0.612 4.940 4.320 0.014 0.000 0.235 691 A C 1.053 178.667 177.584 0.050 0.000 1.070 691 A CA 0.416 52.475 52.037 0.038 0.000 0.768 691 A CB -0.672 18.351 19.000 0.038 0.000 1.011 691 A HN 2.023 nan 8.150 nan 0.000 0.502 692 G N -0.532 108.298 108.800 0.049 0.000 2.361 692 G HA2 0.460 4.429 3.960 0.014 0.000 0.331 692 G HA3 0.460 4.429 3.960 0.014 0.000 0.331 692 G C -1.094 173.837 174.900 0.051 0.000 1.324 692 G CA -0.121 45.021 45.100 0.070 0.000 0.984 692 G HN 1.247 nan 8.290 nan 0.000 0.586 693 Q N -0.315 119.528 119.800 0.072 0.000 2.271 693 Q HA 0.745 5.093 4.340 0.014 0.000 0.258 693 Q C -0.365 175.666 176.000 0.051 0.000 0.936 693 Q CA -0.604 55.191 55.803 -0.015 0.000 0.909 693 Q CB 1.340 30.027 28.738 -0.086 0.000 1.253 693 Q HN 0.598 nan 8.270 nan 0.000 0.440 694 L N 3.999 125.207 121.223 -0.025 0.000 2.350 694 L HA 0.504 4.852 4.340 0.014 0.000 0.275 694 L C -0.816 176.070 176.870 0.027 0.000 1.099 694 L CA -0.391 54.489 54.840 0.068 0.000 0.808 694 L CB 0.770 42.852 42.059 0.038 0.000 1.149 694 L HN 0.703 nan 8.230 nan 0.000 0.442 695 W N 3.695 125.050 121.300 0.092 0.000 2.883 695 W HA 0.487 5.155 4.660 0.014 0.000 0.335 695 W C -0.947 175.676 176.519 0.173 0.000 1.083 695 W CA -0.526 56.893 57.345 0.123 0.000 1.233 695 W CB 1.726 31.270 29.460 0.140 0.000 1.412 695 W HN 0.090 nan 8.180 nan 0.000 0.490 696 L N 3.216 124.717 121.223 0.462 0.000 2.282 696 L HA 0.739 5.088 4.340 0.014 0.000 0.288 696 L C -0.302 176.868 176.870 0.500 0.000 1.033 696 L CA 0.149 55.251 54.840 0.437 0.000 0.807 696 L CB 1.187 43.477 42.059 0.386 0.000 1.209 696 L HN 0.321 nan 8.230 nan 0.000 0.423 697 T N 5.165 119.959 114.554 0.400 0.000 2.807 697 T HA 0.681 5.040 4.350 0.014 0.000 0.279 697 T C -0.663 174.230 174.700 0.323 0.000 0.993 697 T CA -0.416 61.876 62.100 0.319 0.000 0.970 697 T CB 1.503 70.495 68.868 0.206 0.000 0.950 697 T HN 0.613 nan 8.240 nan 0.000 0.441 698 V N 1.620 121.697 119.914 0.272 0.000 2.769 698 V HA 0.854 4.983 4.120 0.014 0.000 0.312 698 V C -0.798 175.398 176.094 0.170 0.000 1.061 698 V CA -1.172 61.260 62.300 0.221 0.000 0.931 698 V CB 1.992 33.898 31.823 0.138 0.000 1.010 698 V HN 0.824 nan 8.190 nan 0.000 0.433 699 R N 2.035 122.669 120.500 0.222 0.000 2.651 699 R HA 0.770 5.118 4.340 0.014 0.000 0.278 699 R C -1.699 174.782 176.300 0.301 0.000 1.010 699 R CA -0.726 55.538 56.100 0.274 0.000 0.896 699 R CB 2.723 33.139 30.300 0.193 0.000 1.211 699 R HN 0.699 nan 8.270 nan 0.000 0.456 700 V N 3.512 123.626 119.914 0.335 0.000 2.394 700 V HA 0.409 4.538 4.120 0.014 0.000 0.282 700 V C -0.281 175.966 176.094 0.254 0.000 1.031 700 V CA -0.614 61.846 62.300 0.267 0.000 0.881 700 V CB 1.652 33.606 31.823 0.218 0.000 0.982 700 V HN 0.429 nan 8.190 nan 0.000 0.451 701 V N 4.971 125.030 119.914 0.241 0.000 2.604 701 V HA 0.427 4.555 4.120 0.014 0.000 0.305 701 V C -0.304 175.902 176.094 0.187 0.000 1.043 701 V CA -0.780 61.644 62.300 0.206 0.000 0.888 701 V CB 1.986 33.971 31.823 0.270 0.000 0.995 701 V HN 0.884 nan 8.190 nan 0.000 0.429 702 Q N 5.189 125.096 119.800 0.179 0.000 2.360 702 Q HA 0.290 4.638 4.340 0.014 0.000 0.254 702 Q C -1.805 174.255 176.000 0.100 0.000 0.975 702 Q CA -1.772 54.120 55.803 0.148 0.000 0.912 702 Q CB 2.054 30.890 28.738 0.164 0.000 1.212 702 Q HN 0.470 nan 8.270 nan 0.000 0.452 703 P HA -0.123 nan 4.420 nan 0.000 0.220 703 P C -0.554 176.763 177.300 0.028 0.000 1.152 703 P CA 0.988 64.126 63.100 0.062 0.000 0.812 703 P CB 0.408 32.143 31.700 0.058 0.000 0.792 704 N N -0.403 118.303 118.700 0.011 0.000 2.473 704 N HA 0.441 5.189 4.740 0.014 0.000 0.291 704 N C -0.248 175.221 175.510 -0.067 0.000 1.083 704 N CA -0.661 52.377 53.050 -0.020 0.000 0.951 704 N CB 0.943 39.419 38.487 -0.018 0.000 1.164 704 N HN -0.060 nan 8.380 nan 0.000 0.480 705 A N 0.858 123.630 122.820 -0.080 0.000 2.425 705 A HA 0.428 4.756 4.320 0.014 0.000 0.242 705 A C 0.591 178.061 177.584 -0.189 0.000 1.077 705 A CA 0.033 51.988 52.037 -0.136 0.000 0.781 705 A CB -0.041 18.903 19.000 -0.094 0.000 1.020 705 A HN 0.713 nan 8.150 nan 0.000 0.494 706 T N -2.948 111.412 114.554 -0.323 0.000 2.742 706 T HA 0.633 4.991 4.350 0.014 0.000 0.282 706 T C 0.897 175.437 174.700 -0.267 0.000 1.025 706 T CA 0.027 61.914 62.100 -0.355 0.000 1.020 706 T CB 1.159 69.577 68.868 -0.751 0.000 1.317 706 T HN 1.371 nan 8.240 nan 0.000 0.538 707 A N -0.092 122.657 122.820 -0.119 0.000 2.121 707 A HA 0.130 4.459 4.320 0.014 0.000 0.218 707 A C 1.551 179.269 177.584 0.224 0.000 1.154 707 A CA 0.910 52.982 52.037 0.057 0.000 0.679 707 A CB -0.860 18.203 19.000 0.104 0.000 0.795 707 A HN 0.908 nan 8.150 nan 0.000 0.458 708 W N -0.686 120.685 121.300 0.118 0.000 2.702 708 W HA 0.429 5.098 4.660 0.015 0.000 0.369 708 W C -0.285 176.206 176.519 -0.046 0.000 0.987 708 W CA 0.416 57.802 57.345 0.069 0.000 1.702 708 W CB -0.951 28.538 29.460 0.048 0.000 1.138 708 W HN 0.384 nan 8.180 nan 0.000 0.552 709 S N -0.080 115.218 115.700 -0.669 0.000 2.570 709 S HA 0.466 4.945 4.470 0.014 0.000 0.270 709 S C -0.953 173.430 174.600 -0.361 0.000 1.149 709 S CA -0.750 57.068 58.200 -0.637 0.000 0.837 709 S CB 2.770 65.203 63.200 -1.279 0.000 1.124 709 S HN 0.124 nan 8.310 nan 0.000 0.465 710 E N 0.545 120.644 120.200 -0.168 0.000 2.280 710 E HA 0.612 4.970 4.350 0.014 0.000 0.261 710 E C 0.197 176.768 176.600 -0.048 0.000 1.088 710 E CA -0.973 55.380 56.400 -0.079 0.000 0.915 710 E CB 1.107 30.805 29.700 -0.004 0.000 1.141 710 E HN 0.884 nan 8.360 nan 0.000 0.433 711 A N 0.425 123.227 122.820 -0.030 0.000 2.540 711 A HA 0.368 4.696 4.320 0.014 0.000 0.239 711 A C 1.122 178.725 177.584 0.031 0.000 1.061 711 A CA 0.845 52.879 52.037 -0.004 0.000 0.758 711 A CB -0.593 18.406 19.000 -0.003 0.000 0.991 711 A HN 0.806 nan 8.150 nan 0.000 0.502 712 G N 0.694 109.525 108.800 0.052 0.000 2.176 712 G HA2 -0.251 3.717 3.960 0.014 0.000 0.253 712 G HA3 -0.251 3.717 3.960 0.014 0.000 0.253 712 G C 0.279 175.225 174.900 0.076 0.000 0.979 712 G CA 0.677 45.808 45.100 0.052 0.000 0.641 712 G HN 1.787 nan 8.290 nan 0.000 0.530 713 H N 0.738 119.819 119.070 0.018 0.000 3.094 713 H HA 0.386 4.950 4.556 0.014 0.000 0.320 713 H C 0.719 176.123 175.328 0.126 0.000 1.000 713 H CA 0.475 56.558 56.048 0.059 0.000 1.413 713 H CB 0.130 29.906 29.762 0.024 0.000 1.405 713 H HN 0.318 nan 8.280 nan 0.000 0.586 714 I N 4.721 125.024 120.570 -0.446 0.000 2.325 714 I HA 0.027 4.206 4.170 0.014 0.000 0.291 714 I C 0.918 176.881 176.117 -0.256 0.000 1.019 714 I CA 0.125 61.307 61.300 -0.197 0.000 1.302 714 I CB 1.371 39.314 38.000 -0.095 0.000 1.401 714 I HN 0.792 nan 8.210 nan 0.000 0.485 715 S N 4.285 120.066 115.700 0.136 0.000 2.505 715 S HA 0.554 5.032 4.470 0.014 0.000 0.216 715 S C 0.434 175.312 174.600 0.463 0.000 1.018 715 S CA -0.046 58.378 58.200 0.373 0.000 0.911 715 S CB 0.585 64.121 63.200 0.559 0.000 0.818 715 S HN 0.683 nan 8.310 nan 0.000 0.497 716 A N 0.499 123.631 122.820 0.520 0.000 2.608 716 A HA 0.683 5.011 4.320 0.014 0.000 0.292 716 A C -1.798 176.174 177.584 0.646 0.000 1.066 716 A CA -0.938 51.389 52.037 0.484 0.000 0.676 716 A CB 0.449 19.781 19.000 0.553 0.000 1.277 716 A HN 0.903 nan 8.150 nan 0.000 0.413 717 W N -0.297 121.199 121.300 0.328 0.000 3.005 717 W HA 0.814 5.483 4.660 0.015 0.000 0.343 717 W C -1.151 175.447 176.519 0.131 0.000 1.243 717 W CA -0.652 56.786 57.345 0.154 0.000 1.186 717 W CB 1.247 30.755 29.460 0.079 0.000 1.453 717 W HN 1.010 nan 8.180 nan 0.000 0.575 718 Q N 0.979 120.836 119.800 0.094 0.000 2.594 718 Q HA 0.400 4.749 4.340 0.014 0.000 0.278 718 Q C -1.696 174.129 176.000 -0.293 0.000 0.961 718 Q CA -0.452 55.240 55.803 -0.184 0.000 0.844 718 Q CB 2.283 30.708 28.738 -0.521 0.000 1.475 718 Q HN 0.633 nan 8.270 nan 0.000 0.389 719 Q N 1.346 120.912 119.800 -0.390 0.000 2.423 719 Q HA 0.648 4.997 4.340 0.014 0.000 0.278 719 Q C -1.136 174.701 176.000 -0.271 0.000 1.097 719 Q CA -0.719 55.027 55.803 -0.095 0.000 0.809 719 Q CB 2.442 31.327 28.738 0.245 0.000 1.391 719 Q HN 0.585 nan 8.270 nan 0.000 0.428 720 W N 0.937 122.404 121.300 0.278 0.000 3.033 720 W HA 0.451 5.119 4.660 0.013 0.000 0.336 720 W C -0.370 176.103 176.519 -0.076 0.000 1.173 720 W CA -0.646 56.767 57.345 0.113 0.000 1.185 720 W CB 1.786 31.270 29.460 0.039 0.000 1.425 720 W HN 0.439 nan 8.180 nan 0.000 0.536 721 R N 1.642 122.023 120.500 -0.198 0.000 2.441 721 R HA 0.487 4.836 4.340 0.014 0.000 0.284 721 R C 0.438 176.602 176.300 -0.226 0.000 1.070 721 R CA -0.205 55.512 56.100 -0.639 0.000 1.047 721 R CB 1.124 30.947 30.300 -0.796 0.000 1.016 721 R HN 0.292 nan 8.270 nan 0.000 0.477 722 L N 1.142 122.242 121.223 -0.204 0.000 2.836 722 L HA 0.542 4.890 4.340 0.014 0.000 0.216 722 L C 0.563 177.358 176.870 -0.125 0.000 1.861 722 L CA -1.120 53.657 54.840 -0.106 0.000 2.145 722 L CB -0.032 42.002 42.059 -0.042 0.000 2.671 722 L HN 0.598 nan 8.230 nan 0.000 0.594 723 A N 0.340 123.112 122.820 -0.080 0.000 2.483 723 A HA 0.196 4.525 4.320 0.014 0.000 0.238 723 A C -0.290 177.247 177.584 -0.078 0.000 1.070 723 A CA 0.264 52.260 52.037 -0.070 0.000 0.770 723 A CB 0.083 19.059 19.000 -0.040 0.000 1.008 723 A HN 0.623 nan 8.150 nan 0.000 0.497 724 E N 1.015 121.174 120.200 -0.070 0.000 2.248 724 E HA 0.338 4.697 4.350 0.014 0.000 0.267 724 E C -1.420 175.164 176.600 -0.027 0.000 0.877 724 E CA -0.725 55.639 56.400 -0.060 0.000 0.759 724 E CB 0.947 30.600 29.700 -0.078 0.000 1.182 724 E HN 0.671 nan 8.360 nan 0.000 0.418 725 N N 4.833 123.529 118.700 -0.008 0.000 2.564 725 N HA 0.270 5.018 4.740 0.014 0.000 0.248 725 N C -0.668 174.850 175.510 0.012 0.000 0.986 725 N CA -0.341 52.711 53.050 0.003 0.000 0.921 725 N CB 1.128 39.621 38.487 0.010 0.000 1.136 725 N HN 0.484 nan 8.380 nan 0.000 0.509 726 L N 0.805 122.035 121.223 0.011 0.000 2.456 726 L HA 0.095 4.443 4.340 0.014 0.000 0.272 726 L C 1.326 178.211 176.870 0.025 0.000 1.189 726 L CA 0.108 54.960 54.840 0.020 0.000 0.846 726 L CB 0.459 42.529 42.059 0.018 0.000 1.111 726 L HN 0.359 nan 8.230 nan 0.000 0.475 727 S N 1.876 117.596 115.700 0.034 0.000 2.505 727 S HA 0.239 4.717 4.470 0.014 0.000 0.276 727 S C 0.526 175.144 174.600 0.030 0.000 1.274 727 S CA -0.752 57.469 58.200 0.034 0.000 1.053 727 S CB 0.765 63.990 63.200 0.043 0.000 0.919 727 S HN 0.476 nan 8.310 nan 0.000 0.490 728 V N 2.276 122.205 119.914 0.025 0.000 3.253 728 V HA 0.367 4.496 4.120 0.014 0.000 0.320 728 V C 0.521 176.628 176.094 0.021 0.000 1.442 728 V CA 0.113 62.426 62.300 0.022 0.000 1.097 728 V CB -0.569 31.265 31.823 0.017 0.000 1.008 728 V HN 0.852 nan 8.190 nan 0.000 0.463 729 T N 0.439 115.007 114.554 0.023 0.000 2.845 729 T HA 0.740 5.098 4.350 0.014 0.000 0.288 729 T C -0.344 174.369 174.700 0.022 0.000 0.980 729 T CA -0.489 61.623 62.100 0.021 0.000 1.071 729 T CB 1.659 70.539 68.868 0.020 0.000 0.941 729 T HN 0.236 nan 8.240 nan 0.000 0.487 730 L N 4.199 125.432 121.223 0.017 0.000 2.380 730 L HA 0.412 4.761 4.340 0.014 0.000 0.273 730 L C -1.504 175.374 176.870 0.014 0.000 1.138 730 L CA -1.595 53.254 54.840 0.015 0.000 0.832 730 L CB -0.694 41.370 42.059 0.009 0.000 1.124 730 L HN 0.571 nan 8.230 nan 0.000 0.454 731 P HA 0.179 nan 4.420 nan 0.000 0.269 731 P C -0.571 176.727 177.300 -0.003 0.000 1.215 731 P CA -0.568 62.541 63.100 0.014 0.000 0.780 731 P CB 0.482 32.193 31.700 0.018 0.000 0.898 732 A N 2.093 124.912 122.820 -0.002 0.000 2.567 732 A HA 0.376 4.705 4.320 0.014 0.000 0.240 732 A C 0.852 178.384 177.584 -0.086 0.000 1.053 732 A CA 0.152 52.176 52.037 -0.022 0.000 0.755 732 A CB -0.678 18.328 19.000 0.010 0.000 0.978 732 A HN 0.747 nan 8.150 nan 0.000 0.507 733 A N 3.218 125.975 122.820 -0.104 0.000 2.561 733 A HA 0.372 4.701 4.320 0.014 0.000 0.234 733 A C 0.939 178.322 177.584 -0.336 0.000 1.055 733 A CA 0.305 52.251 52.037 -0.151 0.000 0.756 733 A CB -0.195 18.749 19.000 -0.094 0.000 0.986 733 A HN 1.101 nan 8.150 nan 0.000 0.505 734 S N 1.898 117.445 115.700 -0.255 0.000 2.519 734 S HA 0.127 4.605 4.470 0.014 0.000 0.310 734 S C 0.929 175.399 174.600 -0.217 0.000 1.201 734 S CA 0.045 58.085 58.200 -0.266 0.000 1.179 734 S CB -0.344 62.800 63.200 -0.093 0.000 1.104 734 S HN 0.807 nan 8.310 nan 0.000 0.527 735 H N 2.259 121.341 119.070 0.020 0.000 2.352 735 H HA 0.138 4.703 4.556 0.014 0.000 0.299 735 H C 1.134 176.473 175.328 0.018 0.000 1.097 735 H CA 1.224 57.282 56.048 0.017 0.000 1.311 735 H CB -0.116 29.655 29.762 0.016 0.000 1.377 735 H HN 0.611 nan 8.280 nan 0.000 0.504 736 A N 0.592 123.514 122.820 0.169 0.000 2.616 736 A HA 0.719 5.047 4.320 0.014 0.000 0.253 736 A C -0.763 176.866 177.584 0.076 0.000 1.239 736 A CA -0.405 51.696 52.037 0.108 0.000 0.914 736 A CB 0.929 19.993 19.000 0.107 0.000 1.454 736 A HN 0.356 nan 8.150 nan 0.000 0.460 737 I N -1.167 119.449 120.570 0.077 0.000 2.649 737 I HA 0.576 4.754 4.170 0.014 0.000 0.289 737 I C -3.104 173.081 176.117 0.115 0.000 1.222 737 I CA -1.900 59.450 61.300 0.083 0.000 1.046 737 I CB 2.437 40.489 38.000 0.086 0.000 1.272 737 I HN 0.319 nan 8.210 nan 0.000 0.425 738 P HA 0.288 nan 4.420 nan 0.000 0.272 738 P C -1.385 176.066 177.300 0.252 0.000 1.230 738 P CA 0.099 63.277 63.100 0.129 0.000 0.788 738 P CB 0.332 32.072 31.700 0.066 0.000 0.949 739 H N 0.228 119.335 119.070 0.062 0.000 2.469 739 H HA 0.422 4.987 4.556 0.014 0.000 0.342 739 H C -0.681 174.681 175.328 0.057 0.000 1.115 739 H CA -1.029 55.046 56.048 0.045 0.000 1.204 739 H CB 1.653 31.442 29.762 0.045 0.000 1.492 739 H HN 0.249 nan 8.280 nan 0.000 0.499 740 L N 2.413 123.702 121.223 0.111 0.000 2.309 740 L HA 0.336 4.685 4.340 0.014 0.000 0.282 740 L C -0.453 176.472 176.870 0.092 0.000 1.036 740 L CA 0.018 54.909 54.840 0.085 0.000 0.806 740 L CB 1.623 43.679 42.059 -0.004 0.000 1.220 740 L HN 0.532 nan 8.230 nan 0.000 0.429 741 T N 3.433 118.071 114.554 0.140 0.000 2.841 741 T HA 0.535 4.893 4.350 0.014 0.000 0.285 741 T C -0.534 174.276 174.700 0.183 0.000 0.991 741 T CA -0.348 61.828 62.100 0.126 0.000 0.966 741 T CB 1.213 70.144 68.868 0.105 0.000 0.962 741 T HN 0.703 nan 8.240 nan 0.000 0.438 742 T N 2.771 117.425 114.554 0.167 0.000 2.888 742 T HA 0.786 5.144 4.350 0.014 0.000 0.284 742 T C -0.203 174.544 174.700 0.079 0.000 1.017 742 T CA -0.721 61.505 62.100 0.211 0.000 1.022 742 T CB 1.423 70.439 68.868 0.247 0.000 1.013 742 T HN 0.716 nan 8.240 nan 0.000 0.465 743 S N 0.543 116.240 115.700 -0.004 0.000 2.651 743 S HA 0.450 4.928 4.470 0.014 0.000 0.279 743 S C 0.791 175.332 174.600 -0.098 0.000 1.148 743 S CA -0.889 57.292 58.200 -0.032 0.000 0.837 743 S CB 1.777 64.966 63.200 -0.018 0.000 1.138 743 S HN 0.735 nan 8.310 nan 0.000 0.478 744 E N -0.431 119.725 120.200 -0.074 0.000 2.153 744 E HA -0.160 4.198 4.350 0.014 0.000 0.194 744 E C 1.540 178.055 176.600 -0.142 0.000 0.988 744 E CA 1.245 57.586 56.400 -0.098 0.000 0.811 744 E CB -0.123 29.544 29.700 -0.055 0.000 0.746 744 E HN 0.638 nan 8.360 nan 0.000 0.466 745 M N 0.340 119.873 119.600 -0.111 0.000 2.435 745 M HA 0.087 4.576 4.480 0.014 0.000 0.265 745 M C -0.516 175.711 176.300 -0.123 0.000 1.104 745 M CA 0.834 56.077 55.300 -0.095 0.000 1.140 745 M CB 0.782 33.359 32.600 -0.038 0.000 1.372 745 M HN -0.172 nan 8.290 nan 0.000 0.456 746 D N -1.477 118.830 120.400 -0.155 0.000 2.602 746 D HA 0.272 4.921 4.640 0.014 0.000 0.236 746 D C -1.516 174.672 176.300 -0.187 0.000 1.209 746 D CA -0.318 53.607 54.000 -0.125 0.000 0.831 746 D CB 1.470 42.291 40.800 0.034 0.000 1.478 746 D HN -0.005 nan 8.370 nan 0.000 0.438 747 F N 0.997 121.034 119.950 0.145 0.000 2.402 747 F HA 0.349 4.885 4.527 0.014 0.000 0.355 747 F C 0.124 176.064 175.800 0.233 0.000 1.123 747 F CA -0.734 57.351 58.000 0.142 0.000 1.021 747 F CB 1.207 40.254 39.000 0.078 0.000 1.160 747 F HN 0.058 nan 8.300 nan 0.000 0.451 748 C N 4.750 124.275 119.300 0.375 0.000 2.382 748 C HA 0.747 5.215 4.460 0.014 0.000 0.327 748 C C -0.277 174.896 174.990 0.305 0.000 1.250 748 C CA -0.806 58.405 59.018 0.322 0.000 1.707 748 C CB 0.635 28.493 27.740 0.197 0.000 2.272 748 C HN 0.522 nan 8.230 nan 0.000 0.506 749 I N 2.347 123.142 120.570 0.375 0.000 2.545 749 I HA 0.497 4.675 4.170 0.014 0.000 0.292 749 I C -0.149 176.227 176.117 0.431 0.000 1.040 749 I CA -0.236 61.271 61.300 0.345 0.000 1.068 749 I CB 1.505 39.696 38.000 0.318 0.000 1.251 749 I HN 0.677 nan 8.210 nan 0.000 0.424 750 E N 5.713 126.100 120.200 0.311 0.000 2.266 750 E HA 0.766 5.125 4.350 0.014 0.000 0.268 750 E C -1.886 174.850 176.600 0.226 0.000 0.879 750 E CA -0.837 55.709 56.400 0.243 0.000 0.762 750 E CB 2.294 32.049 29.700 0.092 0.000 1.199 750 E HN 0.551 nan 8.360 nan 0.000 0.422 751 L N 4.841 126.213 121.223 0.248 0.000 2.596 751 L HA 0.519 4.867 4.340 0.014 0.000 0.265 751 L C 0.159 177.087 176.870 0.097 0.000 0.962 751 L CA 0.627 55.579 54.840 0.186 0.000 0.891 751 L CB 1.350 43.585 42.059 0.294 0.000 1.248 751 L HN 0.830 nan 8.230 nan 0.000 0.410 752 G N 4.308 113.117 108.800 0.016 0.000 2.611 752 G HA2 -0.424 3.544 3.960 0.014 0.000 0.301 752 G HA3 -0.424 3.544 3.960 0.014 0.000 0.301 752 G C 0.423 175.302 174.900 -0.035 0.000 1.233 752 G CA 0.632 45.724 45.100 -0.013 0.000 0.993 752 G HN 1.295 nan 8.290 nan 0.000 0.553 753 N N 1.420 120.093 118.700 -0.045 0.000 2.322 753 N HA 0.170 4.919 4.740 0.014 0.000 0.216 753 N C 0.177 175.625 175.510 -0.102 0.000 1.144 753 N CA 0.536 53.544 53.050 -0.070 0.000 0.830 753 N CB 0.247 38.696 38.487 -0.064 0.000 1.034 753 N HN 0.733 nan 8.380 nan 0.000 0.484 754 K N 0.669 120.997 120.400 -0.119 0.000 2.259 754 K HA 0.509 4.837 4.320 0.014 0.000 0.252 754 K C -0.292 176.117 176.600 -0.318 0.000 0.936 754 K CA -0.723 55.380 56.287 -0.307 0.000 0.810 754 K CB 1.963 34.210 32.500 -0.422 0.000 1.143 754 K HN 0.140 nan 8.250 nan 0.000 0.427 755 R N 1.946 122.189 120.500 -0.428 0.000 2.673 755 R HA 0.451 4.799 4.340 0.014 0.000 0.281 755 R C -1.154 175.053 176.300 -0.155 0.000 0.991 755 R CA -0.952 55.077 56.100 -0.118 0.000 0.896 755 R CB 1.768 32.040 30.300 -0.048 0.000 1.201 755 R HN 0.553 nan 8.270 nan 0.000 0.457 756 W N 1.890 123.312 121.300 0.203 0.000 2.839 756 W HA 0.336 5.004 4.660 0.014 0.000 0.334 756 W C -0.496 176.106 176.519 0.139 0.000 1.064 756 W CA -0.599 56.794 57.345 0.080 0.000 1.236 756 W CB 2.552 32.038 29.460 0.044 0.000 1.405 756 W HN 0.493 nan 8.180 nan 0.000 0.478 757 Q N 2.734 122.652 119.800 0.198 0.000 2.325 757 Q HA 0.458 4.806 4.340 0.014 0.000 0.270 757 Q C -1.876 174.069 176.000 -0.092 0.000 1.020 757 Q CA -0.478 55.440 55.803 0.191 0.000 0.785 757 Q CB 1.406 30.331 28.738 0.310 0.000 1.259 757 Q HN 0.361 nan 8.270 nan 0.000 0.452 758 F N 2.785 122.824 119.950 0.148 0.000 2.426 758 F HA 0.314 4.849 4.527 0.014 0.000 0.348 758 F C 0.517 176.345 175.800 0.048 0.000 1.124 758 F CA -0.883 57.168 58.000 0.085 0.000 1.008 758 F CB 1.356 40.413 39.000 0.094 0.000 1.139 758 F HN 0.494 nan 8.300 nan 0.000 0.452 759 N N 3.552 122.361 118.700 0.181 0.000 2.452 759 N HA 0.074 4.823 4.740 0.014 0.000 0.266 759 N C 0.797 176.325 175.510 0.031 0.000 1.175 759 N CA 0.089 53.193 53.050 0.089 0.000 0.945 759 N CB 0.733 39.280 38.487 0.100 0.000 1.063 759 N HN 0.692 nan 8.380 nan 0.000 0.472 760 R N 2.294 122.745 120.500 -0.081 0.000 2.299 760 R HA -0.042 4.307 4.340 0.014 0.000 0.197 760 R C 1.588 177.832 176.300 -0.093 0.000 0.971 760 R CA 0.494 56.504 56.100 -0.150 0.000 1.030 760 R CB 0.232 30.332 30.300 -0.333 0.000 0.932 760 R HN 0.673 nan 8.270 nan 0.000 0.477 761 Q N 0.408 120.179 119.800 -0.048 0.000 2.204 761 Q HA -0.047 4.301 4.340 0.014 0.000 0.198 761 Q C 1.724 177.716 176.000 -0.014 0.000 0.946 761 Q CA 1.414 57.198 55.803 -0.031 0.000 0.859 761 Q CB 0.359 29.094 28.738 -0.005 0.000 0.946 761 Q HN 0.277 nan 8.270 nan 0.000 0.474 762 S N -1.821 113.893 115.700 0.024 0.000 2.486 762 S HA 0.235 4.713 4.470 0.014 0.000 0.220 762 S C 1.402 175.931 174.600 -0.119 0.000 1.011 762 S CA 0.511 58.743 58.200 0.054 0.000 0.921 762 S CB 0.568 63.906 63.200 0.230 0.000 0.785 762 S HN 0.631 nan 8.310 nan 0.000 0.517 763 G N 0.474 109.215 108.800 -0.098 0.000 2.148 763 G HA2 -0.227 3.742 3.960 0.014 0.000 0.254 763 G HA3 -0.227 3.742 3.960 0.014 0.000 0.254 763 G C -0.115 174.699 174.900 -0.145 0.000 0.981 763 G CA 0.334 45.351 45.100 -0.139 0.000 0.670 763 G HN 0.539 nan 8.290 nan 0.000 0.528 764 F N -1.324 118.807 119.950 0.302 0.000 2.556 764 F HA 0.670 5.206 4.527 0.014 0.000 0.327 764 F C 0.510 176.367 175.800 0.094 0.000 1.059 764 F CA -1.486 56.663 58.000 0.248 0.000 0.953 764 F CB 1.377 40.472 39.000 0.159 0.000 1.227 764 F HN -0.001 nan 8.300 nan 0.000 0.478 765 L N 2.014 123.303 121.223 0.111 0.000 2.565 765 L HA 0.122 4.470 4.340 0.014 0.000 0.275 765 L C 1.007 177.774 176.870 -0.171 0.000 1.137 765 L CA 0.513 55.063 54.840 -0.484 0.000 0.915 765 L CB 0.211 41.991 42.059 -0.466 0.000 1.232 765 L HN 0.713 nan 8.230 nan 0.000 0.473 766 S N 2.575 118.171 115.700 -0.173 0.000 2.503 766 S HA 0.268 4.746 4.470 0.014 0.000 0.215 766 S C 0.554 175.028 174.600 -0.210 0.000 1.003 766 S CA -0.109 58.033 58.200 -0.098 0.000 0.910 766 S CB 0.155 63.349 63.200 -0.010 0.000 0.790 766 S HN 0.675 nan 8.310 nan 0.000 0.514 767 Q N -0.185 119.427 119.800 -0.313 0.000 2.527 767 Q HA 0.669 5.017 4.340 0.014 0.000 0.280 767 Q C -1.991 173.644 176.000 -0.608 0.000 0.977 767 Q CA -0.275 55.201 55.803 -0.546 0.000 0.837 767 Q CB 1.739 30.011 28.738 -0.777 0.000 1.454 767 Q HN 0.441 nan 8.270 nan 0.000 0.387 768 M N 1.503 120.626 119.600 -0.794 0.000 2.484 768 M HA 0.597 5.086 4.480 0.014 0.000 0.289 768 M C -1.511 174.398 176.300 -0.652 0.000 1.206 768 M CA -0.425 54.505 55.300 -0.616 0.000 0.892 768 M CB 2.276 34.503 32.600 -0.621 0.000 1.712 768 M HN 0.499 nan 8.290 nan 0.000 0.462 769 W N 2.644 123.706 121.300 -0.397 0.000 2.915 769 W HA 0.579 5.248 4.660 0.014 0.000 0.337 769 W C -1.509 174.815 176.519 -0.326 0.000 1.102 769 W CA -0.737 56.437 57.345 -0.285 0.000 1.224 769 W CB 1.779 31.113 29.460 -0.211 0.000 1.416 769 W HN 0.376 nan 8.180 nan 0.000 0.503 770 I N 2.433 122.998 120.570 -0.008 0.000 2.382 770 I HA 0.468 4.646 4.170 0.014 0.000 0.285 770 I C 0.812 176.918 176.117 -0.019 0.000 1.007 770 I CA 0.591 61.845 61.300 -0.077 0.000 1.142 770 I CB 0.820 38.755 38.000 -0.108 0.000 1.289 770 I HN 0.715 nan 8.210 nan 0.000 0.453 771 G N 5.490 114.270 108.800 -0.034 0.000 2.550 771 G HA2 -0.317 3.652 3.960 0.014 0.000 0.277 771 G HA3 -0.317 3.652 3.960 0.014 0.000 0.277 771 G C 0.164 175.073 174.900 0.014 0.000 1.190 771 G CA 0.523 45.607 45.100 -0.027 0.000 0.971 771 G HN 0.661 nan 8.290 nan 0.000 0.559 772 D N 0.548 120.964 120.400 0.026 0.000 2.358 772 D HA 0.396 5.044 4.640 0.014 0.000 0.224 772 D C 0.675 177.092 176.300 0.196 0.000 1.123 772 D CA 0.442 54.489 54.000 0.079 0.000 0.833 772 D CB 0.567 41.377 40.800 0.017 0.000 0.946 772 D HN 0.582 nan 8.370 nan 0.000 0.505 773 K N 1.485 121.966 120.400 0.136 0.000 2.262 773 K HA 0.213 4.542 4.320 0.014 0.000 0.282 773 K C -0.322 176.280 176.600 0.003 0.000 1.066 773 K CA -0.569 55.759 56.287 0.068 0.000 0.901 773 K CB 0.701 33.198 32.500 -0.005 0.000 1.089 773 K HN -0.231 nan 8.250 nan 0.000 0.476 774 K N 2.965 123.304 120.400 -0.101 0.000 2.382 774 K HA 0.016 4.344 4.320 0.014 0.000 0.275 774 K C 0.498 176.921 176.600 -0.296 0.000 1.009 774 K CA -0.005 56.029 56.287 -0.422 0.000 0.970 774 K CB 0.739 33.019 32.500 -0.366 0.000 0.934 774 K HN 0.614 nan 8.250 nan 0.000 0.479 775 Q N 1.561 121.149 119.800 -0.352 0.000 2.280 775 Q HA 0.186 4.534 4.340 0.014 0.000 0.228 775 Q C -0.075 175.848 176.000 -0.127 0.000 0.857 775 Q CA 0.349 56.066 55.803 -0.143 0.000 0.939 775 Q CB 0.632 29.336 28.738 -0.056 0.000 1.114 775 Q HN 0.494 nan 8.270 nan 0.000 0.514 776 L N 0.982 122.059 121.223 -0.242 0.000 2.346 776 L HA 0.388 4.737 4.340 0.014 0.000 0.276 776 L C 0.980 177.720 176.870 -0.216 0.000 1.006 776 L CA -0.358 54.360 54.840 -0.204 0.000 0.817 776 L CB 1.658 43.581 42.059 -0.227 0.000 1.272 776 L HN -0.066 nan 8.230 nan 0.000 0.421 777 L N 0.530 121.622 121.223 -0.218 0.000 2.408 777 L HA 0.210 4.558 4.340 0.014 0.000 0.215 777 L C 0.271 177.032 176.870 -0.182 0.000 1.081 777 L CA 0.721 55.442 54.840 -0.198 0.000 0.840 777 L CB 0.266 42.200 42.059 -0.209 0.000 1.002 777 L HN 0.599 nan 8.230 nan 0.000 0.468 778 T N 0.080 114.496 114.554 -0.230 0.000 2.912 778 T HA 0.412 4.770 4.350 0.014 0.000 0.299 778 T C -2.548 172.074 174.700 -0.130 0.000 1.052 778 T CA -1.149 60.862 62.100 -0.147 0.000 0.996 778 T CB 2.540 71.305 68.868 -0.171 0.000 1.070 778 T HN -0.262 nan 8.240 nan 0.000 0.465 779 P HA 0.170 nan 4.420 nan 0.000 0.269 779 P C -0.603 176.656 177.300 -0.068 0.000 1.217 779 P CA -0.714 62.351 63.100 -0.059 0.000 0.783 779 P CB 0.421 32.122 31.700 0.002 0.000 0.898 780 L N 3.042 124.261 121.223 -0.006 0.000 2.385 780 L HA 0.233 4.582 4.340 0.014 0.000 0.281 780 L C 0.124 176.945 176.870 -0.082 0.000 1.106 780 L CA 0.654 55.524 54.840 0.050 0.000 0.856 780 L CB -0.590 41.606 42.059 0.228 0.000 1.186 780 L HN 0.268 nan 8.230 nan 0.000 0.453 781 R N 2.958 123.303 120.500 -0.259 0.000 2.854 781 R HA 0.446 4.794 4.340 0.014 0.000 0.271 781 R C -0.908 175.227 176.300 -0.274 0.000 0.994 781 R CA -1.075 54.657 56.100 -0.615 0.000 0.945 781 R CB 1.305 31.140 30.300 -0.776 0.000 1.194 781 R HN 0.558 nan 8.270 nan 0.000 0.476 782 D N 1.188 121.504 120.400 -0.140 0.000 2.400 782 D HA 0.029 4.677 4.640 0.014 0.000 0.238 782 D C -0.371 175.556 176.300 -0.620 0.000 1.157 782 D CA 0.529 54.324 54.000 -0.342 0.000 0.889 782 D CB 0.648 41.199 40.800 -0.415 0.000 1.199 782 D HN 0.214 nan 8.370 nan 0.000 0.436 783 Q N 0.955 120.189 119.800 -0.943 0.000 2.271 783 Q HA 0.346 4.694 4.340 0.014 0.000 0.268 783 Q C -1.269 174.010 176.000 -1.202 0.000 1.021 783 Q CA -0.557 54.747 55.803 -0.832 0.000 0.802 783 Q CB 0.841 29.299 28.738 -0.466 0.000 1.282 783 Q HN 0.566 nan 8.270 nan 0.000 0.431 784 F N 0.550 120.111 119.950 -0.648 0.000 2.746 784 F HA 0.197 4.732 4.527 0.014 0.000 0.320 784 F C 0.666 176.024 175.800 -0.736 0.000 1.097 784 F CA -0.181 57.316 58.000 -0.839 0.000 1.195 784 F CB 1.538 39.708 39.000 -1.384 0.000 1.056 784 F HN 0.455 nan 8.300 nan 0.000 0.562 785 T N -0.635 113.614 114.554 -0.509 0.000 2.926 785 T HA 0.769 5.127 4.350 0.014 0.000 0.289 785 T C -0.521 173.935 174.700 -0.407 0.000 1.054 785 T CA -0.972 60.764 62.100 -0.607 0.000 1.015 785 T CB 2.575 71.011 68.868 -0.720 0.000 1.167 785 T HN 0.232 nan 8.240 nan 0.000 0.526 786 R N -0.270 120.045 120.500 -0.308 0.000 2.771 786 R HA 0.761 5.110 4.340 0.014 0.000 0.274 786 R C -0.837 175.519 176.300 0.094 0.000 0.987 786 R CA -1.235 54.803 56.100 -0.103 0.000 0.908 786 R CB 1.542 31.781 30.300 -0.102 0.000 1.213 786 R HN 0.812 nan 8.270 nan 0.000 0.468 787 A N 3.734 126.588 122.820 0.056 0.000 2.515 787 A HA 0.277 4.605 4.320 0.014 0.000 0.263 787 A C -1.967 175.672 177.584 0.093 0.000 1.096 787 A CA -1.262 50.803 52.037 0.047 0.000 0.769 787 A CB -0.486 18.488 19.000 -0.043 0.000 1.040 787 A HN 0.566 nan 8.150 nan 0.000 0.505 788 P HA 0.101 nan 4.420 nan 0.000 0.265 788 P C -0.218 177.181 177.300 0.164 0.000 1.193 788 P CA 0.364 63.611 63.100 0.244 0.000 0.765 788 P CB 0.410 32.286 31.700 0.294 0.000 0.823 789 L N 2.354 123.643 121.223 0.110 0.000 2.475 789 L HA 0.163 4.512 4.340 0.014 0.000 0.253 789 L C 1.861 178.741 176.870 0.016 0.000 1.198 789 L CA -0.472 54.370 54.840 0.003 0.000 0.814 789 L CB -0.066 41.928 42.059 -0.108 0.000 1.134 789 L HN 0.298 nan 8.230 nan 0.000 0.478 790 D N 0.358 120.712 120.400 -0.077 0.000 2.158 790 D HA -0.164 4.484 4.640 0.014 0.000 0.197 790 D C 1.582 177.809 176.300 -0.123 0.000 0.995 790 D CA 1.409 55.292 54.000 -0.195 0.000 0.846 790 D CB 0.028 40.629 40.800 -0.332 0.000 0.941 790 D HN 0.468 nan 8.370 nan 0.000 0.456 791 N N 0.894 119.541 118.700 -0.089 0.000 2.396 791 N HA -0.094 4.654 4.740 0.014 0.000 0.180 791 N C 1.089 176.615 175.510 0.027 0.000 1.028 791 N CA 0.617 53.645 53.050 -0.038 0.000 0.893 791 N CB -0.072 38.385 38.487 -0.050 0.000 0.967 791 N HN 0.249 nan 8.380 nan 0.000 0.440 792 D N 0.222 120.650 120.400 0.047 0.000 2.234 792 D HA 0.063 4.711 4.640 0.014 0.000 0.205 792 D C 1.891 178.237 176.300 0.077 0.000 0.962 792 D CA 0.384 54.448 54.000 0.106 0.000 0.855 792 D CB 0.287 41.220 40.800 0.221 0.000 0.951 792 D HN 0.321 nan 8.370 nan 0.000 0.500 793 I N 0.071 120.670 120.570 0.048 0.000 2.731 793 I HA 0.087 4.265 4.170 0.014 0.000 0.260 793 I C 1.733 177.872 176.117 0.037 0.000 1.138 793 I CA 0.511 61.829 61.300 0.030 0.000 1.461 793 I CB -0.143 37.849 38.000 -0.013 0.000 1.128 793 I HN 0.033 nan 8.210 nan 0.000 0.438 794 G N 1.451 110.288 108.800 0.063 0.000 2.574 794 G HA2 -0.341 3.627 3.960 0.014 0.000 0.286 794 G HA3 -0.341 3.627 3.960 0.014 0.000 0.286 794 G C 0.661 175.729 174.900 0.280 0.000 1.212 794 G CA 0.684 45.889 45.100 0.176 0.000 0.979 794 G HN 0.510 nan 8.290 nan 0.000 0.557 795 V N -1.924 118.097 119.914 0.179 0.000 3.577 795 V HA 0.600 4.729 4.120 0.014 0.000 0.294 795 V C 1.287 177.400 176.094 0.031 0.000 1.317 795 V CA 1.209 63.560 62.300 0.084 0.000 1.169 795 V CB 0.022 31.779 31.823 -0.110 0.000 1.011 795 V HN 1.277 nan 8.190 nan 0.000 0.426 796 S N 1.200 116.920 115.700 0.034 0.000 2.549 796 S HA 0.253 4.732 4.470 0.014 0.000 0.286 796 S C -0.107 174.499 174.600 0.010 0.000 1.314 796 S CA 0.173 58.375 58.200 0.005 0.000 1.062 796 S CB 0.266 63.464 63.200 -0.003 0.000 0.865 796 S HN 0.829 nan 8.310 nan 0.000 0.498 797 E N 1.808 122.008 120.200 -0.000 0.000 2.317 797 E HA 0.598 4.956 4.350 0.014 0.000 0.270 797 E C 0.557 177.161 176.600 0.007 0.000 0.885 797 E CA -0.421 55.983 56.400 0.007 0.000 0.760 797 E CB 1.515 31.215 29.700 -0.000 0.000 1.227 797 E HN 0.631 nan 8.360 nan 0.000 0.434 798 A N 1.511 124.341 122.820 0.017 0.000 1.948 798 A HA -0.229 4.099 4.320 0.014 0.000 0.220 798 A C 2.063 179.653 177.584 0.010 0.000 1.177 798 A CA 2.617 54.663 52.037 0.016 0.000 0.636 798 A CB -0.968 18.047 19.000 0.025 0.000 0.815 798 A HN 0.696 nan 8.150 nan 0.000 0.449 799 T N -2.819 111.741 114.554 0.009 0.000 2.904 799 T HA -0.034 4.325 4.350 0.014 0.000 0.267 799 T C 1.081 175.777 174.700 -0.008 0.000 1.059 799 T CA 1.300 63.402 62.100 0.003 0.000 1.137 799 T CB -0.094 68.777 68.868 0.006 0.000 0.879 799 T HN 0.400 nan 8.240 nan 0.000 0.467 800 R N 0.876 121.368 120.500 -0.013 0.000 2.818 800 R HA 0.333 4.681 4.340 0.014 0.000 0.258 800 R C -0.991 175.293 176.300 -0.027 0.000 1.797 800 R CA -0.631 55.454 56.100 -0.025 0.000 1.532 800 R CB 0.143 30.420 30.300 -0.039 0.000 1.413 800 R HN 0.246 nan 8.270 nan 0.000 0.622 801 I N 1.629 122.186 120.570 -0.021 0.000 2.815 801 I HA -0.063 4.116 4.170 0.014 0.000 0.291 801 I C 0.457 176.553 176.117 -0.036 0.000 1.209 801 I CA 0.600 61.886 61.300 -0.023 0.000 1.431 801 I CB 0.550 38.540 38.000 -0.018 0.000 1.351 801 I HN 0.487 nan 8.210 nan 0.000 0.585 802 D N 8.880 129.255 120.400 -0.041 0.000 2.454 802 D HA 0.279 4.928 4.640 0.014 0.000 0.225 802 D C -1.708 174.547 176.300 -0.075 0.000 1.081 802 D CA -2.185 51.782 54.000 -0.056 0.000 0.864 802 D CB 1.523 42.293 40.800 -0.050 0.000 1.040 802 D HN 0.195 nan 8.370 nan 0.000 0.517 803 P HA -0.079 nan 4.420 nan 0.000 0.230 803 P C 0.816 178.024 177.300 -0.154 0.000 1.158 803 P CA 0.586 63.627 63.100 -0.100 0.000 0.769 803 P CB 0.220 31.871 31.700 -0.082 0.000 0.807 804 N N -0.304 118.300 118.700 -0.159 0.000 2.422 804 N HA 0.032 4.781 4.740 0.014 0.000 0.181 804 N C 0.393 175.717 175.510 -0.312 0.000 1.080 804 N CA -0.188 52.724 53.050 -0.229 0.000 0.893 804 N CB 0.056 38.437 38.487 -0.176 0.000 0.973 804 N HN -0.027 nan 8.380 nan 0.000 0.456 805 A N 0.314 122.996 122.820 -0.229 0.000 2.445 805 A HA 0.031 4.359 4.320 0.014 0.000 0.242 805 A C 0.546 177.925 177.584 -0.343 0.000 1.075 805 A CA -0.404 51.498 52.037 -0.225 0.000 0.777 805 A CB -0.096 18.846 19.000 -0.097 0.000 1.013 805 A HN 0.466 nan 8.150 nan 0.000 0.493 806 W N 1.574 122.626 121.300 -0.413 0.000 2.317 806 W HA -0.201 4.467 4.660 0.014 0.000 0.318 806 W C 2.251 178.170 176.519 -1.000 0.000 1.227 806 W CA 1.818 58.648 57.345 -0.857 0.000 1.269 806 W CB -0.398 28.459 29.460 -1.005 0.000 1.155 806 W HN 0.554 nan 8.180 nan 0.000 0.484 807 V N 0.893 120.665 119.914 -0.238 0.000 2.392 807 V HA -0.283 3.846 4.120 0.014 0.000 0.249 807 V C 2.183 178.341 176.094 0.107 0.000 1.059 807 V CA 2.189 64.560 62.300 0.119 0.000 1.051 807 V CB -0.394 31.549 31.823 0.200 0.000 0.658 807 V HN 0.101 nan 8.190 nan 0.000 0.455 808 E N -0.018 120.158 120.200 -0.039 0.000 2.072 808 E HA -0.190 4.168 4.350 0.014 0.000 0.191 808 E C 2.342 178.901 176.600 -0.069 0.000 0.985 808 E CA 1.264 57.642 56.400 -0.037 0.000 0.801 808 E CB -0.340 29.319 29.700 -0.069 0.000 0.750 808 E HN 0.627 nan 8.360 nan 0.000 0.452 809 R N -0.209 120.170 120.500 -0.201 0.000 2.075 809 R HA -0.110 4.238 4.340 0.014 0.000 0.232 809 R C 2.332 178.555 176.300 -0.129 0.000 1.126 809 R CA 1.290 57.251 56.100 -0.231 0.000 0.963 809 R CB -0.208 29.835 30.300 -0.428 0.000 0.858 809 R HN 0.244 nan 8.270 nan 0.000 0.435 810 W N 1.531 122.803 121.300 -0.047 0.000 2.358 810 W HA -0.085 4.584 4.660 0.014 0.000 0.303 810 W C 1.933 178.402 176.519 -0.083 0.000 1.208 810 W CA 0.734 57.937 57.345 -0.237 0.000 1.274 810 W CB -0.629 28.838 29.460 0.012 0.000 1.138 810 W HN 0.106 nan 8.180 nan 0.000 0.515 811 K N 0.120 120.733 120.400 0.355 0.000 2.026 811 K HA -0.092 4.237 4.320 0.014 0.000 0.208 811 K C 2.282 178.937 176.600 0.091 0.000 1.048 811 K CA 1.844 58.296 56.287 0.276 0.000 0.929 811 K CB -0.631 31.977 32.500 0.180 0.000 0.713 811 K HN -0.025 nan 8.250 nan 0.000 0.439 812 A N 0.993 123.837 122.820 0.040 0.000 2.019 812 A HA -0.064 4.264 4.320 0.014 0.000 0.219 812 A C 2.144 179.722 177.584 -0.010 0.000 1.164 812 A CA 1.718 53.763 52.037 0.013 0.000 0.644 812 A CB -0.488 18.510 19.000 -0.004 0.000 0.805 812 A HN 0.339 nan 8.150 nan 0.000 0.449 813 A N -1.969 120.816 122.820 -0.057 0.000 2.218 813 A HA 0.416 4.744 4.320 0.014 0.000 0.209 813 A C 1.782 179.298 177.584 -0.113 0.000 1.168 813 A CA 1.176 53.188 52.037 -0.042 0.000 0.804 813 A CB -0.755 18.190 19.000 -0.092 0.000 0.834 813 A HN 1.824 nan 8.150 nan 0.000 0.482 814 G N -1.379 107.242 108.800 -0.298 0.000 2.141 814 G HA2 -0.309 3.659 3.960 0.014 0.000 0.242 814 G HA3 -0.309 3.659 3.960 0.014 0.000 0.242 814 G C 0.590 175.467 174.900 -0.038 0.000 0.982 814 G CA 0.687 45.392 45.100 -0.658 0.000 0.662 814 G HN 0.751 nan 8.290 nan 0.000 0.527 815 H N -1.483 117.562 119.070 -0.042 0.000 2.387 815 H HA -0.084 4.480 4.556 0.014 0.000 0.299 815 H C 2.236 177.538 175.328 -0.043 0.000 1.099 815 H CA 1.576 57.616 56.048 -0.013 0.000 1.315 815 H CB 0.046 29.747 29.762 -0.102 0.000 1.380 815 H HN 0.594 nan 8.280 nan 0.000 0.513 816 Y N 0.551 120.977 120.300 0.210 0.000 2.457 816 Y HA -0.093 4.465 4.550 0.014 0.000 0.292 816 Y C 2.095 178.083 175.900 0.147 0.000 1.125 816 Y CA 0.733 58.921 58.100 0.147 0.000 1.254 816 Y CB 0.302 38.829 38.460 0.111 0.000 1.012 816 Y HN 0.173 nan 8.280 nan 0.000 0.555 817 Q N -0.328 119.633 119.800 0.269 0.000 2.319 817 Q HA 0.294 4.643 4.340 0.014 0.000 0.209 817 Q C 0.714 176.898 176.000 0.307 0.000 0.884 817 Q CA -0.081 55.876 55.803 0.256 0.000 0.938 817 Q CB 0.513 29.390 28.738 0.232 0.000 1.098 817 Q HN 0.283 nan 8.270 nan 0.000 0.517 818 A N 1.618 124.643 122.820 0.341 0.000 2.561 818 A HA -0.023 4.305 4.320 0.014 0.000 0.234 818 A C -0.011 177.857 177.584 0.473 0.000 1.055 818 A CA 0.453 52.753 52.037 0.438 0.000 0.756 818 A CB 0.253 19.566 19.000 0.521 0.000 0.986 818 A HN 0.130 nan 8.150 nan 0.000 0.505 819 E N 0.627 121.022 120.200 0.325 0.000 2.183 819 E HA 0.456 4.814 4.350 0.014 0.000 0.271 819 E C -0.411 176.123 176.600 -0.111 0.000 0.919 819 E CA -0.549 55.955 56.400 0.173 0.000 0.781 819 E CB 1.971 31.747 29.700 0.128 0.000 1.140 819 E HN 0.719 nan 8.360 nan 0.000 0.402 820 A N 2.445 125.070 122.820 -0.325 0.000 2.666 820 A HA 0.408 4.737 4.320 0.014 0.000 0.301 820 A C 0.299 177.722 177.584 -0.269 0.000 1.470 820 A CA -0.213 51.379 52.037 -0.742 0.000 1.159 820 A CB -0.372 18.302 19.000 -0.543 0.000 1.116 820 A HN 0.549 nan 8.150 nan 0.000 0.548 821 A N 2.706 125.389 122.820 -0.229 0.000 2.409 821 A HA 0.484 4.812 4.320 0.014 0.000 0.267 821 A C 0.070 177.587 177.584 -0.110 0.000 1.127 821 A CA -0.376 51.598 52.037 -0.104 0.000 0.795 821 A CB 0.003 18.963 19.000 -0.066 0.000 1.061 821 A HN 1.135 nan 8.150 nan 0.000 0.502 822 L N 3.370 124.521 121.223 -0.120 0.000 2.361 822 L HA 0.295 4.643 4.340 0.014 0.000 0.278 822 L C 0.582 177.330 176.870 -0.203 0.000 1.113 822 L CA 0.361 55.044 54.840 -0.262 0.000 0.849 822 L CB 0.332 42.249 42.059 -0.237 0.000 1.155 822 L HN 0.746 nan 8.230 nan 0.000 0.452 823 L N 3.615 124.702 121.223 -0.228 0.000 2.470 823 L HA 0.314 4.663 4.340 0.014 0.000 0.219 823 L C 0.414 177.217 176.870 -0.110 0.000 1.071 823 L CA 0.045 54.813 54.840 -0.120 0.000 0.850 823 L CB -0.003 42.019 42.059 -0.062 0.000 1.040 823 L HN 0.762 nan 8.230 nan 0.000 0.475 824 Q N -0.413 119.290 119.800 -0.162 0.000 2.545 824 Q HA 0.325 4.673 4.340 0.014 0.000 0.273 824 Q C -2.065 173.873 176.000 -0.103 0.000 0.975 824 Q CA -0.633 55.112 55.803 -0.096 0.000 0.876 824 Q CB 2.751 31.459 28.738 -0.050 0.000 1.472 824 Q HN 0.024 nan 8.270 nan 0.000 0.389 825 C N 3.206 122.490 119.300 -0.027 0.000 2.789 825 C HA 0.799 5.267 4.460 0.014 0.000 0.367 825 C C -0.904 174.189 174.990 0.171 0.000 1.062 825 C CA 0.611 59.656 59.018 0.045 0.000 1.297 825 C CB 0.578 28.330 27.740 0.021 0.000 1.794 825 C HN 0.843 nan 8.230 nan 0.000 0.474 826 T N 2.392 117.002 114.554 0.093 0.000 2.901 826 T HA 0.913 5.271 4.350 0.014 0.000 0.293 826 T C -0.539 173.972 174.700 -0.314 0.000 1.084 826 T CA -0.328 61.781 62.100 0.015 0.000 1.008 826 T CB 1.946 70.793 68.868 -0.035 0.000 1.170 826 T HN 1.683 nan 8.240 nan 0.000 0.509 827 A N 1.244 123.701 122.820 -0.606 0.000 2.393 827 A HA 0.744 5.072 4.320 0.014 0.000 0.306 827 A C -1.202 176.128 177.584 -0.422 0.000 1.050 827 A CA -0.739 50.823 52.037 -0.791 0.000 0.724 827 A CB 1.216 19.288 19.000 -1.546 0.000 1.248 827 A HN 0.868 nan 8.150 nan 0.000 0.424 828 D N 1.081 121.301 120.400 -0.300 0.000 2.738 828 D HA 0.481 5.129 4.640 0.014 0.000 0.237 828 D C -0.851 175.354 176.300 -0.158 0.000 1.123 828 D CA -0.007 53.881 54.000 -0.186 0.000 0.856 828 D CB 2.388 43.109 40.800 -0.130 0.000 1.552 828 D HN 0.427 nan 8.370 nan 0.000 0.480 829 T N 1.907 116.391 114.554 -0.118 0.000 2.799 829 T HA 0.486 4.844 4.350 0.014 0.000 0.286 829 T C 0.560 175.219 174.700 -0.067 0.000 0.973 829 T CA -0.428 61.617 62.100 -0.091 0.000 1.035 829 T CB 0.923 69.745 68.868 -0.077 0.000 0.932 829 T HN 0.114 nan 8.240 nan 0.000 0.469 830 L N 1.298 122.487 121.223 -0.056 0.000 2.391 830 L HA 0.624 4.973 4.340 0.014 0.000 0.266 830 L C 1.999 178.853 176.870 -0.027 0.000 1.035 830 L CA -1.295 53.520 54.840 -0.042 0.000 0.877 830 L CB 0.291 42.325 42.059 -0.042 0.000 1.504 830 L HN 0.687 nan 8.230 nan 0.000 0.503 831 A N 0.451 123.258 122.820 -0.021 0.000 1.908 831 A HA -0.175 4.154 4.320 0.014 0.000 0.218 831 A C 1.058 178.639 177.584 -0.006 0.000 1.181 831 A CA 2.213 54.242 52.037 -0.012 0.000 0.627 831 A CB -0.481 18.512 19.000 -0.012 0.000 0.818 831 A HN 0.900 nan 8.150 nan 0.000 0.445 832 D N -2.772 117.623 120.400 -0.009 0.000 2.692 832 D HA 0.551 5.199 4.640 0.014 0.000 0.290 832 D C -0.146 176.149 176.300 -0.009 0.000 1.455 832 D CA 0.647 54.645 54.000 -0.003 0.000 0.796 832 D CB -0.254 40.539 40.800 -0.011 0.000 1.131 832 D HN 0.540 nan 8.370 nan 0.000 0.467 833 A N -0.662 122.146 122.820 -0.019 0.000 2.540 833 A HA 0.604 4.932 4.320 0.014 0.000 0.291 833 A C -1.838 175.713 177.584 -0.055 0.000 1.083 833 A CA -0.681 51.332 52.037 -0.040 0.000 0.650 833 A CB 1.425 20.395 19.000 -0.050 0.000 1.292 833 A HN 0.034 nan 8.150 nan 0.000 0.435 834 V N 0.643 120.505 119.914 -0.087 0.000 2.495 834 V HA 0.636 4.764 4.120 0.014 0.000 0.298 834 V C -0.926 175.078 176.094 -0.149 0.000 1.031 834 V CA -0.397 61.832 62.300 -0.118 0.000 0.871 834 V CB 1.311 33.067 31.823 -0.112 0.000 0.988 834 V HN 0.852 nan 8.190 nan 0.000 0.432 835 L N 6.577 127.699 121.223 -0.167 0.000 2.325 835 L HA 0.646 4.994 4.340 0.014 0.000 0.281 835 L C -0.838 175.889 176.870 -0.237 0.000 1.004 835 L CA -0.013 54.733 54.840 -0.157 0.000 0.823 835 L CB 1.233 43.227 42.059 -0.107 0.000 1.236 835 L HN 0.415 nan 8.230 nan 0.000 0.415 836 I N 4.139 124.559 120.570 -0.250 0.000 2.354 836 I HA 0.411 4.589 4.170 0.014 0.000 0.292 836 I C -0.043 176.022 176.117 -0.087 0.000 0.989 836 I CA -0.244 60.846 61.300 -0.349 0.000 1.188 836 I CB 1.507 39.017 38.000 -0.817 0.000 1.342 836 I HN 0.554 nan 8.210 nan 0.000 0.457 837 T N 4.867 119.375 114.554 -0.075 0.000 2.807 837 T HA 0.624 4.983 4.350 0.014 0.000 0.279 837 T C 0.221 174.952 174.700 0.051 0.000 0.993 837 T CA -0.531 61.580 62.100 0.019 0.000 0.970 837 T CB 1.717 70.576 68.868 -0.015 0.000 0.950 837 T HN 0.775 nan 8.240 nan 0.000 0.441 838 T N -0.522 114.103 114.554 0.120 0.000 2.906 838 T HA 0.863 5.221 4.350 0.014 0.000 0.295 838 T C -1.155 173.580 174.700 0.058 0.000 1.075 838 T CA -1.059 61.087 62.100 0.076 0.000 1.005 838 T CB 1.995 70.963 68.868 0.166 0.000 1.136 838 T HN 0.772 nan 8.240 nan 0.000 0.498 839 A N 1.672 124.438 122.820 -0.089 0.000 2.427 839 A HA 0.760 5.089 4.320 0.014 0.000 0.298 839 A C -1.389 176.054 177.584 -0.236 0.000 1.036 839 A CA -0.764 51.259 52.037 -0.024 0.000 0.701 839 A CB 0.854 19.859 19.000 0.008 0.000 1.250 839 A HN 1.012 nan 8.150 nan 0.000 0.412 840 H N 0.135 119.259 119.070 0.091 0.000 2.821 840 H HA 0.774 5.338 4.556 0.014 0.000 0.373 840 H C -0.101 175.261 175.328 0.057 0.000 1.165 840 H CA 0.199 56.220 56.048 -0.045 0.000 1.154 840 H CB 2.186 31.836 29.762 -0.186 0.000 1.765 840 H HN 0.976 nan 8.280 nan 0.000 0.549 841 A N 2.015 124.873 122.820 0.063 0.000 2.330 841 A HA 0.364 4.693 4.320 0.014 0.000 0.313 841 A C -1.290 176.341 177.584 0.077 0.000 1.124 841 A CA -0.681 51.455 52.037 0.164 0.000 0.774 841 A CB 0.939 19.992 19.000 0.088 0.000 1.198 841 A HN 0.579 nan 8.150 nan 0.000 0.465 842 W N 2.102 123.510 121.300 0.181 0.000 2.361 842 W HA 0.424 5.092 4.660 0.014 0.000 0.309 842 W C -0.244 176.307 176.519 0.054 0.000 1.122 842 W CA -0.080 57.370 57.345 0.174 0.000 1.208 842 W CB 1.603 31.222 29.460 0.266 0.000 1.246 842 W HN 0.752 nan 8.180 nan 0.000 0.490 843 Q N 1.547 121.485 119.800 0.231 0.000 2.484 843 Q HA 0.406 4.754 4.340 0.014 0.000 0.285 843 Q C -0.954 175.182 176.000 0.226 0.000 1.097 843 Q CA -0.889 55.008 55.803 0.157 0.000 0.802 843 Q CB 3.563 32.351 28.738 0.084 0.000 1.444 843 Q HN 0.405 nan 8.270 nan 0.000 0.429 844 H N 1.617 120.725 119.070 0.063 0.000 2.934 844 H HA 0.074 4.638 4.556 0.014 0.000 0.340 844 H C -0.786 174.577 175.328 0.057 0.000 1.008 844 H CA -0.254 55.842 56.048 0.079 0.000 1.317 844 H CB 1.080 30.899 29.762 0.094 0.000 1.670 844 H HN 0.621 nan 8.280 nan 0.000 0.516 845 Q N 3.192 122.660 119.800 -0.553 0.000 2.453 845 Q HA -0.195 4.153 4.340 0.014 0.000 0.294 845 Q C 1.129 177.053 176.000 -0.126 0.000 1.295 845 Q CA 1.527 57.124 55.803 -0.343 0.000 0.853 845 Q CB -1.934 26.617 28.738 -0.313 0.000 1.193 845 Q HN 1.200 nan 8.270 nan 0.000 0.461 846 G N -1.322 107.438 108.800 -0.066 0.000 2.241 846 G HA2 -0.378 3.590 3.960 0.014 0.000 0.244 846 G HA3 -0.378 3.590 3.960 0.014 0.000 0.244 846 G C 0.117 175.019 174.900 0.003 0.000 0.998 846 G CA 0.535 45.621 45.100 -0.022 0.000 0.621 846 G HN 0.536 nan 8.290 nan 0.000 0.519 847 K N 1.406 121.818 120.400 0.019 0.000 2.159 847 K HA 0.658 4.987 4.320 0.014 0.000 0.266 847 K C -0.170 176.450 176.600 0.034 0.000 0.975 847 K CA -0.103 56.203 56.287 0.032 0.000 0.865 847 K CB 1.124 33.654 32.500 0.051 0.000 1.087 847 K HN -0.008 nan 8.250 nan 0.000 0.446 848 T N 5.752 120.316 114.554 0.017 0.000 2.729 848 T HA 0.223 4.581 4.350 0.014 0.000 0.296 848 T C 0.991 175.646 174.700 -0.075 0.000 0.928 848 T CA -0.431 61.676 62.100 0.012 0.000 1.045 848 T CB 0.425 69.315 68.868 0.037 0.000 0.902 848 T HN 0.567 nan 8.240 nan 0.000 0.500 849 L N 2.526 123.622 121.223 -0.212 0.000 2.145 849 L HA 0.353 4.702 4.340 0.014 0.000 0.201 849 L C -0.094 176.329 176.870 -0.745 0.000 1.075 849 L CA 0.857 55.303 54.840 -0.656 0.000 0.773 849 L CB 0.091 41.367 42.059 -1.305 0.000 0.936 849 L HN 0.535 nan 8.230 nan 0.000 0.451 850 F N -1.117 118.784 119.950 -0.083 0.000 2.601 850 F HA 0.556 5.091 4.527 0.014 0.000 0.309 850 F C -0.524 175.357 175.800 0.136 0.000 1.089 850 F CA -0.801 57.088 58.000 -0.186 0.000 0.940 850 F CB 2.023 40.497 39.000 -0.877 0.000 1.273 850 F HN -0.327 nan 8.300 nan 0.000 0.450 851 I N 1.569 122.346 120.570 0.345 0.000 2.466 851 I HA 0.382 4.561 4.170 0.014 0.000 0.289 851 I C -0.785 175.589 176.117 0.429 0.000 1.026 851 I CA -0.540 60.998 61.300 0.397 0.000 1.078 851 I CB 2.235 40.382 38.000 0.245 0.000 1.249 851 I HN 0.561 nan 8.210 nan 0.000 0.429 852 S N 6.715 122.771 115.700 0.594 0.000 2.478 852 S HA 0.596 5.074 4.470 0.014 0.000 0.312 852 S C -0.703 174.143 174.600 0.410 0.000 1.094 852 S CA -0.677 57.840 58.200 0.528 0.000 1.081 852 S CB 0.769 64.413 63.200 0.741 0.000 1.007 852 S HN 0.559 nan 8.310 nan 0.000 0.475 853 R N 3.394 124.056 120.500 0.270 0.000 2.437 853 R HA 0.577 4.925 4.340 0.014 0.000 0.310 853 R C -0.729 175.648 176.300 0.129 0.000 0.955 853 R CA -0.744 55.469 56.100 0.188 0.000 0.851 853 R CB 1.809 32.191 30.300 0.137 0.000 1.161 853 R HN 0.568 nan 8.270 nan 0.000 0.446 854 K N 0.743 121.215 120.400 0.119 0.000 2.480 854 K HA 0.503 4.832 4.320 0.014 0.000 0.258 854 K C -0.892 175.707 176.600 -0.003 0.000 0.990 854 K CA -0.942 55.347 56.287 0.003 0.000 0.857 854 K CB 2.602 35.080 32.500 -0.037 0.000 1.384 854 K HN 0.637 nan 8.250 nan 0.000 0.446 855 T N -1.457 113.023 114.554 -0.123 0.000 2.912 855 T HA 0.556 4.914 4.350 0.014 0.000 0.299 855 T C -1.372 173.224 174.700 -0.173 0.000 1.052 855 T CA -0.788 61.286 62.100 -0.044 0.000 0.996 855 T CB 0.545 69.401 68.868 -0.019 0.000 1.070 855 T HN 0.383 nan 8.240 nan 0.000 0.465 856 Y N 0.808 121.078 120.300 -0.049 0.000 2.326 856 Y HA 0.620 5.179 4.550 0.014 0.000 0.331 856 Y C 0.440 176.278 175.900 -0.103 0.000 0.962 856 Y CA -1.201 56.885 58.100 -0.024 0.000 1.167 856 Y CB 1.788 40.266 38.460 0.031 0.000 1.148 856 Y HN 0.661 nan 8.280 nan 0.000 0.463 857 R N 4.459 124.991 120.500 0.053 0.000 2.275 857 R HA 0.618 4.967 4.340 0.014 0.000 0.326 857 R C -1.551 174.702 176.300 -0.077 0.000 0.973 857 R CA -0.430 55.654 56.100 -0.027 0.000 0.854 857 R CB 0.444 30.733 30.300 -0.019 0.000 1.156 857 R HN 0.792 nan 8.270 nan 0.000 0.487 858 I N 5.152 125.617 120.570 -0.174 0.000 2.339 858 I HA 0.165 4.343 4.170 0.014 0.000 0.290 858 I C -0.068 175.935 176.117 -0.189 0.000 0.994 858 I CA -0.505 60.610 61.300 -0.309 0.000 1.191 858 I CB 1.380 38.999 38.000 -0.635 0.000 1.343 858 I HN 0.685 nan 8.210 nan 0.000 0.458 859 D N 4.373 124.705 120.400 -0.113 0.000 2.569 859 D HA 0.250 4.898 4.640 0.014 0.000 0.266 859 D C 1.161 177.460 176.300 -0.001 0.000 1.164 859 D CA -0.753 53.220 54.000 -0.045 0.000 1.071 859 D CB 0.887 41.676 40.800 -0.019 0.000 1.183 859 D HN 0.465 nan 8.370 nan 0.000 0.613 860 G N -1.379 107.434 108.800 0.022 0.000 2.679 860 G HA2 -0.108 3.861 3.960 0.014 0.000 0.212 860 G HA3 -0.108 3.861 3.960 0.014 0.000 0.212 860 G C 1.122 176.097 174.900 0.126 0.000 1.137 860 G CA 0.914 46.056 45.100 0.071 0.000 0.787 860 G HN 0.527 nan 8.290 nan 0.000 0.534 861 S N -1.239 114.518 115.700 0.095 0.000 2.548 861 S HA 0.376 4.855 4.470 0.014 0.000 0.215 861 S C 1.812 176.510 174.600 0.163 0.000 0.976 861 S CA 0.963 59.251 58.200 0.146 0.000 0.908 861 S CB 0.126 63.382 63.200 0.093 0.000 0.781 861 S HN 1.369 nan 8.310 nan 0.000 0.519 862 G N 0.674 109.568 108.800 0.157 0.000 2.157 862 G HA2 -0.213 3.755 3.960 0.014 0.000 0.239 862 G HA3 -0.213 3.755 3.960 0.014 0.000 0.239 862 G C -0.220 174.826 174.900 0.243 0.000 0.982 862 G CA 0.034 45.289 45.100 0.258 0.000 0.650 862 G HN 0.613 nan 8.290 nan 0.000 0.527 863 Q N -0.399 119.482 119.800 0.135 0.000 2.230 863 Q HA 0.640 4.989 4.340 0.014 0.000 0.248 863 Q C 0.179 176.216 176.000 0.062 0.000 0.915 863 Q CA -0.388 55.499 55.803 0.140 0.000 0.900 863 Q CB 1.651 30.460 28.738 0.119 0.000 1.229 863 Q HN 0.418 nan 8.270 nan 0.000 0.439 864 M N 2.050 121.725 119.600 0.125 0.000 2.044 864 M HA 0.470 4.959 4.480 0.014 0.000 0.333 864 M C -1.347 175.050 176.300 0.162 0.000 1.004 864 M CA -0.454 54.889 55.300 0.072 0.000 0.954 864 M CB 0.779 33.434 32.600 0.091 0.000 1.468 864 M HN 0.708 nan 8.290 nan 0.000 0.414 865 A N 6.707 129.587 122.820 0.101 0.000 2.289 865 A HA 0.670 4.999 4.320 0.014 0.000 0.298 865 A C -0.663 176.959 177.584 0.063 0.000 1.208 865 A CA -0.595 51.504 52.037 0.103 0.000 0.845 865 A CB 0.184 19.223 19.000 0.066 0.000 1.125 865 A HN 0.926 nan 8.150 nan 0.000 0.517 866 I N 2.126 122.722 120.570 0.043 0.000 2.377 866 I HA 0.353 4.532 4.170 0.014 0.000 0.293 866 I C -0.058 175.956 176.117 -0.170 0.000 0.987 866 I CA -0.215 61.003 61.300 -0.137 0.000 1.185 866 I CB 2.117 40.043 38.000 -0.124 0.000 1.341 866 I HN 0.504 nan 8.210 nan 0.000 0.455 867 T N 5.548 119.964 114.554 -0.232 0.000 2.807 867 T HA 0.580 4.938 4.350 0.014 0.000 0.279 867 T C -0.413 174.098 174.700 -0.316 0.000 0.993 867 T CA -0.477 61.495 62.100 -0.214 0.000 0.970 867 T CB 1.936 70.772 68.868 -0.053 0.000 0.950 867 T HN 0.220 nan 8.240 nan 0.000 0.441 868 V N 3.389 122.991 119.914 -0.520 0.000 2.638 868 V HA 0.480 4.608 4.120 0.014 0.000 0.306 868 V C -0.908 175.022 176.094 -0.273 0.000 1.052 868 V CA -0.917 61.103 62.300 -0.467 0.000 0.885 868 V CB 2.168 33.403 31.823 -0.980 0.000 0.999 868 V HN 0.848 nan 8.190 nan 0.000 0.424 869 D N 3.300 123.705 120.400 0.009 0.000 2.471 869 D HA 0.540 5.189 4.640 0.014 0.000 0.245 869 D C -0.967 175.454 176.300 0.201 0.000 1.116 869 D CA -0.062 54.039 54.000 0.168 0.000 0.853 869 D CB 2.617 43.534 40.800 0.196 0.000 1.123 869 D HN 0.239 nan 8.370 nan 0.000 0.540 870 V N 2.241 122.311 119.914 0.260 0.000 2.715 870 V HA 0.321 4.450 4.120 0.014 0.000 0.310 870 V C 0.032 176.271 176.094 0.242 0.000 1.054 870 V CA -0.708 61.758 62.300 0.278 0.000 0.928 870 V CB 2.619 34.645 31.823 0.339 0.000 1.007 870 V HN 0.354 nan 8.190 nan 0.000 0.437 871 E N 2.117 122.445 120.200 0.213 0.000 2.171 871 E HA 0.629 4.988 4.350 0.014 0.000 0.271 871 E C -1.575 175.138 176.600 0.189 0.000 0.916 871 E CA -0.545 55.960 56.400 0.175 0.000 0.774 871 E CB 2.521 32.309 29.700 0.146 0.000 1.128 871 E HN 0.400 nan 8.360 nan 0.000 0.403 872 V N 2.033 122.065 119.914 0.196 0.000 2.540 872 V HA 0.389 4.518 4.120 0.014 0.000 0.302 872 V C 0.087 176.274 176.094 0.154 0.000 1.035 872 V CA -0.960 61.480 62.300 0.232 0.000 0.873 872 V CB 1.567 33.567 31.823 0.295 0.000 0.992 872 V HN 0.839 nan 8.190 nan 0.000 0.428 873 A N 3.330 126.197 122.820 0.079 0.000 2.567 873 A HA 0.265 4.593 4.320 0.014 0.000 0.240 873 A C 1.616 179.270 177.584 0.117 0.000 1.053 873 A CA 0.624 52.699 52.037 0.063 0.000 0.755 873 A CB 0.203 19.204 19.000 0.001 0.000 0.978 873 A HN 1.379 nan 8.150 nan 0.000 0.507 874 S N 1.198 116.964 115.700 0.109 0.000 2.419 874 S HA -0.168 4.310 4.470 0.014 0.000 0.233 874 S C 0.950 175.635 174.600 0.141 0.000 1.016 874 S CA 1.365 59.649 58.200 0.139 0.000 0.974 874 S CB -0.318 62.944 63.200 0.104 0.000 0.786 874 S HN 0.840 nan 8.310 nan 0.000 0.492 875 D N 0.406 120.862 120.400 0.094 0.000 2.339 875 D HA 0.127 4.776 4.640 0.014 0.000 0.217 875 D C 0.609 176.950 176.300 0.070 0.000 1.050 875 D CA 0.110 54.151 54.000 0.069 0.000 0.856 875 D CB -0.505 40.322 40.800 0.044 0.000 0.922 875 D HN 0.325 nan 8.370 nan 0.000 0.518 876 T N 1.368 115.987 114.554 0.108 0.000 2.922 876 T HA 0.371 4.730 4.350 0.014 0.000 0.285 876 T C -2.577 172.243 174.700 0.201 0.000 1.005 876 T CA -1.980 60.209 62.100 0.149 0.000 1.061 876 T CB 1.035 69.996 68.868 0.154 0.000 1.007 876 T HN -0.141 nan 8.240 nan 0.000 0.502 877 P HA 0.062 nan 4.420 nan 0.000 0.264 877 P C -0.581 177.050 177.300 0.551 0.000 1.183 877 P CA 0.167 63.391 63.100 0.208 0.000 0.763 877 P CB -0.129 31.694 31.700 0.205 0.000 0.807 878 H N 4.094 123.554 119.070 0.650 0.000 3.094 878 H HA 0.053 4.617 4.556 0.014 0.000 0.320 878 H C -1.520 174.147 175.328 0.565 0.000 1.000 878 H CA -1.275 55.077 56.048 0.507 0.000 1.413 878 H CB -0.414 29.580 29.762 0.388 0.000 1.405 878 H HN 0.394 nan 8.280 nan 0.000 0.586 879 P HA 0.000 nan 4.420 nan 0.000 0.274 879 P C 0.118 177.293 177.300 -0.209 0.000 1.237 879 P CA -0.273 62.878 63.100 0.084 0.000 0.793 879 P CB 1.057 32.664 31.700 -0.156 0.000 0.977 880 A N 2.954 125.365 122.820 -0.682 0.000 2.015 880 A HA -0.084 4.244 4.320 0.014 0.000 0.219 880 A C 1.074 178.259 177.584 -0.666 0.000 1.163 880 A CA 1.297 52.917 52.037 -0.695 0.000 0.646 880 A CB -0.534 17.853 19.000 -1.022 0.000 0.806 880 A HN 0.757 nan 8.150 nan 0.000 0.448 881 R N -3.012 117.135 120.500 -0.589 0.000 2.728 881 R HA 0.737 5.086 4.340 0.014 0.000 0.274 881 R C -1.646 174.395 176.300 -0.432 0.000 1.030 881 R CA -0.793 54.985 56.100 -0.538 0.000 0.876 881 R CB 0.793 30.730 30.300 -0.606 0.000 1.259 881 R HN -0.017 nan 8.270 nan 0.000 0.468 882 I N 1.116 121.467 120.570 -0.365 0.000 2.542 882 I HA 0.630 4.808 4.170 0.014 0.000 0.278 882 I C -0.530 175.356 176.117 -0.386 0.000 1.069 882 I CA -0.294 60.814 61.300 -0.321 0.000 1.100 882 I CB 1.831 39.699 38.000 -0.219 0.000 1.204 882 I HN 0.964 nan 8.210 nan 0.000 0.470 883 G N 5.797 114.307 108.800 -0.484 0.000 2.634 883 G HA2 0.736 4.705 3.960 0.014 0.000 0.309 883 G HA3 0.736 4.705 3.960 0.014 0.000 0.309 883 G C -1.694 173.035 174.900 -0.286 0.000 1.299 883 G CA -0.579 44.283 45.100 -0.397 0.000 0.798 883 G HN 0.253 nan 8.290 nan 0.000 0.490 884 L N 0.767 121.874 121.223 -0.192 0.000 2.333 884 L HA 0.660 5.008 4.340 0.014 0.000 0.263 884 L C -0.730 176.037 176.870 -0.171 0.000 1.014 884 L CA -1.155 53.600 54.840 -0.142 0.000 0.820 884 L CB 2.433 44.486 42.059 -0.010 0.000 1.352 884 L HN 0.771 nan 8.230 nan 0.000 0.421 885 N N 0.681 119.307 118.700 -0.123 0.000 2.396 885 N HA 0.672 5.420 4.740 0.014 0.000 0.275 885 N C -1.322 174.188 175.510 0.001 0.000 1.218 885 N CA -0.491 52.521 53.050 -0.063 0.000 0.812 885 N CB 2.453 40.922 38.487 -0.030 0.000 1.592 885 N HN 0.857 nan 8.380 nan 0.000 0.480 886 C N -0.506 118.800 119.300 0.009 0.000 3.312 886 C HA 0.594 5.062 4.460 0.014 0.000 0.332 886 C C -1.117 173.649 174.990 -0.373 0.000 1.340 886 C CA -0.822 58.142 59.018 -0.091 0.000 1.265 886 C CB 1.063 28.789 27.740 -0.024 0.000 1.563 886 C HN 0.847 nan 8.230 nan 0.000 0.471 887 Q N 1.421 120.785 119.800 -0.725 0.000 2.372 887 Q HA 0.661 5.009 4.340 0.014 0.000 0.259 887 Q C -1.098 174.606 176.000 -0.494 0.000 0.993 887 Q CA -0.424 54.726 55.803 -1.088 0.000 0.854 887 Q CB 0.849 28.572 28.738 -1.691 0.000 1.231 887 Q HN 0.773 nan 8.270 nan 0.000 0.462 888 L N 2.541 123.577 121.223 -0.311 0.000 2.395 888 L HA 0.314 4.662 4.340 0.014 0.000 0.269 888 L C 1.224 178.040 176.870 -0.091 0.000 1.133 888 L CA -0.223 54.566 54.840 -0.085 0.000 0.812 888 L CB 0.854 42.978 42.059 0.109 0.000 1.125 888 L HN 0.818 nan 8.230 nan 0.000 0.452 889 A N 1.791 124.588 122.820 -0.039 0.000 1.969 889 A HA -0.123 4.205 4.320 0.014 0.000 0.218 889 A C 1.157 178.739 177.584 -0.003 0.000 1.169 889 A CA 0.655 52.661 52.037 -0.051 0.000 0.635 889 A CB -0.302 18.660 19.000 -0.064 0.000 0.810 889 A HN 0.783 nan 8.150 nan 0.000 0.445 890 Q N -0.021 119.820 119.800 0.067 0.000 2.364 890 Q HA 0.386 4.734 4.340 0.014 0.000 0.267 890 Q C -1.098 174.955 176.000 0.089 0.000 0.999 890 Q CA 0.455 56.290 55.803 0.053 0.000 0.886 890 Q CB 0.752 29.554 28.738 0.108 0.000 1.243 890 Q HN 0.143 nan 8.270 nan 0.000 0.415 891 V N 3.596 123.516 119.914 0.009 0.000 2.409 891 V HA 0.801 4.930 4.120 0.014 0.000 0.290 891 V C -0.663 175.390 176.094 -0.068 0.000 1.017 891 V CA -0.232 62.097 62.300 0.049 0.000 0.841 891 V CB 1.005 32.844 31.823 0.028 0.000 1.003 891 V HN 0.902 nan 8.190 nan 0.000 0.426 892 A N 3.074 125.807 122.820 -0.145 0.000 2.384 892 A HA 0.750 5.079 4.320 0.014 0.000 0.312 892 A C 0.804 178.381 177.584 -0.012 0.000 1.113 892 A CA -0.197 51.692 52.037 -0.247 0.000 0.779 892 A CB 1.653 20.256 19.000 -0.661 0.000 1.307 892 A HN 0.895 nan 8.150 nan 0.000 0.436 893 E N 0.520 120.715 120.200 -0.009 0.000 2.107 893 E HA -0.054 4.305 4.350 0.014 0.000 0.191 893 E C 0.395 177.061 176.600 0.110 0.000 0.982 893 E CA 0.798 57.229 56.400 0.050 0.000 0.809 893 E CB 0.113 29.828 29.700 0.024 0.000 0.756 893 E HN 0.546 nan 8.360 nan 0.000 0.459 894 R N 0.121 120.693 120.500 0.120 0.000 2.873 894 R HA 0.546 4.895 4.340 0.014 0.000 0.264 894 R C -1.070 175.406 176.300 0.294 0.000 1.026 894 R CA -0.988 55.218 56.100 0.177 0.000 1.002 894 R CB 1.987 32.364 30.300 0.128 0.000 1.174 894 R HN -0.047 nan 8.270 nan 0.000 0.488 895 V N 1.909 122.012 119.914 0.316 0.000 2.525 895 V HA 0.321 4.449 4.120 0.014 0.000 0.299 895 V C -0.424 175.942 176.094 0.453 0.000 1.034 895 V CA -0.929 61.598 62.300 0.378 0.000 0.863 895 V CB 1.838 33.828 31.823 0.278 0.000 0.999 895 V HN 0.682 nan 8.190 nan 0.000 0.423 896 N N 4.662 123.604 118.700 0.403 0.000 2.314 896 N HA 0.548 5.297 4.740 0.014 0.000 0.294 896 N C -1.358 174.410 175.510 0.430 0.000 1.029 896 N CA -0.428 52.832 53.050 0.351 0.000 0.845 896 N CB 2.656 41.243 38.487 0.166 0.000 1.321 896 N HN 0.804 nan 8.380 nan 0.000 0.481 897 W N 3.188 124.523 121.300 0.057 0.000 3.167 897 W HA 0.575 5.243 4.660 0.014 0.000 0.324 897 W C -2.059 174.421 176.519 -0.065 0.000 1.230 897 W CA -1.143 56.211 57.345 0.015 0.000 1.184 897 W CB 0.711 30.215 29.460 0.073 0.000 1.414 897 W HN 0.234 nan 8.180 nan 0.000 0.551 898 L N 4.273 125.470 121.223 -0.044 0.000 2.277 898 L HA 0.927 5.275 4.340 0.014 0.000 0.284 898 L C 0.006 176.673 176.870 -0.339 0.000 1.028 898 L CA 0.370 54.980 54.840 -0.383 0.000 0.835 898 L CB 0.667 42.589 42.059 -0.228 0.000 1.215 898 L HN 1.005 nan 8.230 nan 0.000 0.425 899 G N 3.824 112.273 108.800 -0.586 0.000 2.356 899 G HA2 0.205 4.173 3.960 0.014 0.000 0.281 899 G HA3 0.205 4.173 3.960 0.014 0.000 0.281 899 G C -1.652 173.236 174.900 -0.021 0.000 1.246 899 G CA -1.030 43.965 45.100 -0.175 0.000 0.889 899 G HN 0.450 nan 8.290 nan 0.000 0.486 900 L N 1.127 122.498 121.223 0.247 0.000 2.367 900 L HA 0.618 4.967 4.340 0.014 0.000 0.275 900 L C 1.035 178.008 176.870 0.173 0.000 1.129 900 L CA 0.733 55.690 54.840 0.194 0.000 0.839 900 L CB 0.714 42.840 42.059 0.111 0.000 1.133 900 L HN 1.178 nan 8.230 nan 0.000 0.453 901 G N 2.993 111.672 108.800 -0.201 0.000 2.341 901 G HA2 0.242 4.211 3.960 0.014 0.000 0.299 901 G HA3 0.242 4.211 3.960 0.014 0.000 0.299 901 G C -2.777 171.309 174.900 -1.355 0.000 1.274 901 G CA -0.294 44.386 45.100 -0.699 0.000 0.853 901 G HN 0.306 nan 8.290 nan 0.000 0.493 902 P HA 0.093 nan 4.420 nan 0.000 0.235 902 P C 0.487 177.595 177.300 -0.319 0.000 1.177 902 P CA 0.593 63.065 63.100 -1.047 0.000 0.785 902 P CB 0.507 31.721 31.700 -0.811 0.000 0.885 903 Q N 0.453 120.054 119.800 -0.332 0.000 2.318 903 Q HA 0.158 4.507 4.340 0.014 0.000 0.222 903 Q C 0.373 176.261 176.000 -0.187 0.000 1.003 903 Q CA -0.648 55.038 55.803 -0.194 0.000 0.936 903 Q CB 0.658 29.303 28.738 -0.156 0.000 1.204 903 Q HN 0.111 nan 8.270 nan 0.000 0.524 904 E N 1.242 121.338 120.200 -0.173 0.000 2.529 904 E HA -0.107 4.251 4.350 0.014 0.000 0.259 904 E C -1.161 175.350 176.600 -0.149 0.000 0.966 904 E CA 0.262 56.545 56.400 -0.196 0.000 0.937 904 E CB 0.230 29.879 29.700 -0.086 0.000 0.923 904 E HN 0.574 nan 8.360 nan 0.000 0.468 905 N N 2.783 121.318 118.700 -0.275 0.000 2.308 905 N HA 0.347 5.095 4.740 0.014 0.000 0.283 905 N C -1.815 173.468 175.510 -0.379 0.000 1.105 905 N CA -0.687 52.254 53.050 -0.182 0.000 0.840 905 N CB 0.813 39.219 38.487 -0.135 0.000 1.633 905 N HN 0.250 nan 8.380 nan 0.000 0.476 906 Y N -0.033 120.175 120.300 -0.153 0.000 2.633 906 Y HA 0.497 5.056 4.550 0.014 0.000 0.339 906 Y C -1.662 174.168 175.900 -0.117 0.000 1.045 906 Y CA -2.056 55.938 58.100 -0.177 0.000 1.098 906 Y CB 1.980 40.328 38.460 -0.186 0.000 1.296 906 Y HN 0.441 nan 8.280 nan 0.000 0.494 907 P HA -0.179 nan 4.420 nan 0.000 0.216 907 P C 0.391 177.615 177.300 -0.126 0.000 1.153 907 P CA 2.197 65.362 63.100 0.108 0.000 0.858 907 P CB 0.204 32.083 31.700 0.298 0.000 0.789 908 D N -2.476 117.596 120.400 -0.546 0.000 2.340 908 D HA 0.001 4.649 4.640 0.014 0.000 0.217 908 D C 0.780 176.915 176.300 -0.274 0.000 1.081 908 D CA 0.139 53.571 54.000 -0.948 0.000 0.842 908 D CB -0.252 39.767 40.800 -1.301 0.000 0.934 908 D HN 0.116 nan 8.370 nan 0.000 0.511 909 R N 1.029 121.477 120.500 -0.086 0.000 2.638 909 R HA 0.194 4.543 4.340 0.014 0.000 0.261 909 R C -0.552 175.778 176.300 0.050 0.000 1.515 909 R CA -0.148 55.966 56.100 0.023 0.000 1.623 909 R CB 0.077 30.396 30.300 0.031 0.000 1.347 909 R HN 0.096 nan 8.270 nan 0.000 0.705 910 L N -2.031 119.228 121.223 0.061 0.000 3.259 910 L HA 0.342 4.690 4.340 0.014 0.000 0.292 910 L C 1.315 178.235 176.870 0.083 0.000 1.219 910 L CA 0.078 54.950 54.840 0.054 0.000 1.035 910 L CB 0.122 42.205 42.059 0.039 0.000 1.424 910 L HN 0.055 nan 8.230 nan 0.000 0.603 911 T N -2.738 111.892 114.554 0.127 0.000 2.915 911 T HA 0.028 4.386 4.350 0.014 0.000 0.269 911 T C 1.760 176.471 174.700 0.018 0.000 1.071 911 T CA 1.256 63.449 62.100 0.156 0.000 1.132 911 T CB -0.306 68.723 68.868 0.269 0.000 0.878 911 T HN 0.384 nan 8.240 nan 0.000 0.479 912 A N 1.504 124.344 122.820 0.033 0.000 2.067 912 A HA 0.670 4.998 4.320 0.014 0.000 0.217 912 A C 1.610 179.247 177.584 0.088 0.000 1.156 912 A CA 0.437 52.420 52.037 -0.090 0.000 0.683 912 A CB -0.847 18.274 19.000 0.201 0.000 0.808 912 A HN 0.808 nan 8.150 nan 0.000 0.455 913 A N -1.003 121.830 122.820 0.021 0.000 2.386 913 A HA 0.450 4.778 4.320 0.014 0.000 0.248 913 A C 0.039 177.631 177.584 0.013 0.000 1.082 913 A CA -0.075 51.938 52.037 -0.040 0.000 0.789 913 A CB -0.116 18.856 19.000 -0.047 0.000 1.025 913 A HN 0.469 nan 8.150 nan 0.000 0.490 914 C N 0.565 119.869 119.300 0.007 0.000 2.493 914 C HA 0.555 5.024 4.460 0.014 0.000 0.326 914 C C -0.102 174.989 174.990 0.168 0.000 1.200 914 C CA -0.465 58.614 59.018 0.102 0.000 1.739 914 C CB 0.734 28.559 27.740 0.142 0.000 2.300 914 C HN 0.781 nan 8.230 nan 0.000 0.500 915 F N 3.657 123.453 119.950 -0.257 0.000 2.424 915 F HA 0.491 5.026 4.527 0.014 0.000 0.356 915 F C 0.358 175.839 175.800 -0.531 0.000 1.110 915 F CA 1.091 58.803 58.000 -0.479 0.000 1.161 915 F CB -0.017 38.201 39.000 -1.303 0.000 1.115 915 F HN 0.645 nan 8.300 nan 0.000 0.507 916 D N 3.245 123.049 120.400 -0.993 0.000 3.010 916 D HA 0.154 4.803 4.640 0.014 0.000 0.353 916 D C -1.684 173.754 176.300 -1.436 0.000 1.415 916 D CA -0.721 52.613 54.000 -1.110 0.000 0.864 916 D CB 1.429 41.549 40.800 -1.134 0.000 1.445 916 D HN 0.468 nan 8.370 nan 0.000 0.516 917 R N 0.626 120.355 120.500 -1.286 0.000 2.255 917 R HA 0.536 4.884 4.340 0.014 0.000 0.326 917 R C -1.415 174.127 176.300 -1.264 0.000 0.986 917 R CA -0.192 55.291 56.100 -1.029 0.000 0.847 917 R CB 0.321 30.267 30.300 -0.590 0.000 1.111 917 R HN 0.285 nan 8.270 nan 0.000 0.452 918 W N 2.274 123.028 121.300 -0.910 0.000 2.736 918 W HA 0.460 5.128 4.660 0.014 0.000 0.355 918 W C -0.538 175.615 176.519 -0.611 0.000 1.102 918 W CA -0.598 56.188 57.345 -0.932 0.000 1.164 918 W CB 1.666 30.093 29.460 -1.723 0.000 1.422 918 W HN 0.391 nan 8.180 nan 0.000 0.572 919 D N 1.943 122.320 120.400 -0.038 0.000 2.591 919 D HA 0.352 5.001 4.640 0.014 0.000 0.222 919 D C -1.611 174.796 176.300 0.179 0.000 1.360 919 D CA -0.120 53.950 54.000 0.117 0.000 0.967 919 D CB 0.796 41.615 40.800 0.032 0.000 1.456 919 D HN 0.363 nan 8.370 nan 0.000 0.588 920 L N 2.904 124.305 121.223 0.296 0.000 2.309 920 L HA 0.612 4.961 4.340 0.014 0.000 0.261 920 L C -2.226 174.762 176.870 0.196 0.000 1.021 920 L CA -2.179 52.799 54.840 0.230 0.000 0.823 920 L CB 2.558 44.792 42.059 0.293 0.000 1.366 920 L HN 0.173 nan 8.230 nan 0.000 0.423 921 P HA 0.038 nan 4.420 nan 0.000 0.272 921 P C 0.549 177.926 177.300 0.128 0.000 1.223 921 P CA -0.390 62.781 63.100 0.118 0.000 0.784 921 P CB 0.974 32.724 31.700 0.083 0.000 0.923 922 L N 3.324 124.627 121.223 0.133 0.000 2.013 922 L HA -0.267 4.082 4.340 0.014 0.000 0.212 922 L C 2.318 179.236 176.870 0.080 0.000 1.073 922 L CA 2.856 57.767 54.840 0.117 0.000 0.753 922 L CB -1.588 40.555 42.059 0.140 0.000 0.890 922 L HN 0.477 nan 8.230 nan 0.000 0.432 923 S N -1.894 113.854 115.700 0.081 0.000 2.442 923 S HA -0.183 4.296 4.470 0.014 0.000 0.236 923 S C 1.630 176.301 174.600 0.118 0.000 1.007 923 S CA 1.147 59.410 58.200 0.105 0.000 0.965 923 S CB -0.793 62.463 63.200 0.093 0.000 0.773 923 S HN 0.532 nan 8.310 nan 0.000 0.504 924 D N 1.121 121.567 120.400 0.076 0.000 2.348 924 D HA 0.079 4.728 4.640 0.014 0.000 0.216 924 D C 1.233 177.535 176.300 0.004 0.000 0.970 924 D CA 0.653 54.677 54.000 0.040 0.000 0.889 924 D CB -0.125 40.707 40.800 0.054 0.000 0.912 924 D HN 0.395 nan 8.370 nan 0.000 0.524 925 M N -0.505 119.105 119.600 0.017 0.000 2.494 925 M HA 0.055 4.544 4.480 0.014 0.000 0.232 925 M C -0.009 176.290 176.300 -0.001 0.000 1.137 925 M CA -0.076 55.187 55.300 -0.062 0.000 1.012 925 M CB -0.735 31.814 32.600 -0.085 0.000 1.567 925 M HN -0.059 nan 8.290 nan 0.000 0.486 926 Y N 0.263 120.523 120.300 -0.067 0.000 2.364 926 Y HA 0.496 5.055 4.550 0.014 0.000 0.340 926 Y C -0.680 175.171 175.900 -0.082 0.000 0.975 926 Y CA -0.862 57.218 58.100 -0.034 0.000 1.089 926 Y CB 1.235 39.739 38.460 0.072 0.000 1.192 926 Y HN -0.129 nan 8.280 nan 0.000 0.454 927 T N 9.016 123.144 114.554 -0.710 0.000 2.758 927 T HA 0.294 4.652 4.350 0.014 0.000 0.285 927 T C -2.667 171.289 174.700 -1.240 0.000 0.981 927 T CA -1.502 60.103 62.100 -0.825 0.000 0.965 927 T CB 1.190 69.626 68.868 -0.720 0.000 0.927 927 T HN 0.470 nan 8.240 nan 0.000 0.448 928 P HA 0.149 nan 4.420 nan 0.000 0.218 928 P C -0.630 176.526 177.300 -0.240 0.000 1.793 928 P CA -0.489 62.183 63.100 -0.713 0.000 0.941 928 P CB -0.694 30.737 31.700 -0.449 0.000 1.919 929 Y N -0.227 120.014 120.300 -0.098 0.000 2.811 929 Y HA -0.122 4.437 4.550 0.014 0.000 0.334 929 Y C 2.296 178.244 175.900 0.081 0.000 1.247 929 Y CA -0.352 57.739 58.100 -0.015 0.000 1.526 929 Y CB 0.465 38.842 38.460 -0.139 0.000 1.284 929 Y HN -0.070 nan 8.280 nan 0.000 0.586 930 V N 3.691 123.815 119.914 0.350 0.000 2.332 930 V HA -0.301 3.828 4.120 0.014 0.000 0.248 930 V C 0.498 176.769 176.094 0.295 0.000 1.055 930 V CA 1.433 63.929 62.300 0.326 0.000 1.038 930 V CB -0.538 31.515 31.823 0.382 0.000 0.651 930 V HN 0.580 nan 8.190 nan 0.000 0.450 931 F N 2.926 122.918 119.950 0.069 0.000 2.371 931 F HA 0.534 5.069 4.527 0.014 0.000 0.363 931 F C -2.524 173.271 175.800 -0.008 0.000 1.122 931 F CA -3.455 54.529 58.000 -0.027 0.000 1.129 931 F CB 0.846 39.716 39.000 -0.217 0.000 1.173 931 F HN -0.018 nan 8.300 nan 0.000 0.489 932 P HA 0.282 nan 4.420 nan 0.000 0.271 932 P C -1.076 175.899 177.300 -0.542 0.000 1.218 932 P CA 0.051 62.887 63.100 -0.440 0.000 0.780 932 P CB 1.259 32.729 31.700 -0.383 0.000 0.901 933 S N -0.132 115.448 115.700 -0.201 0.000 2.703 933 S HA 0.433 4.912 4.470 0.014 0.000 0.273 933 S C -0.850 173.731 174.600 -0.032 0.000 1.178 933 S CA -0.951 57.172 58.200 -0.129 0.000 0.838 933 S CB 0.380 63.531 63.200 -0.082 0.000 1.178 933 S HN 0.333 nan 8.310 nan 0.000 0.494 934 E N 1.165 121.361 120.200 -0.007 0.000 2.568 934 E HA 0.344 4.702 4.350 0.014 0.000 0.262 934 E C -0.182 176.467 176.600 0.082 0.000 0.961 934 E CA 0.944 57.371 56.400 0.045 0.000 0.945 934 E CB -0.206 29.546 29.700 0.086 0.000 0.924 934 E HN 0.812 nan 8.360 nan 0.000 0.467 935 N N 1.363 120.148 118.700 0.140 0.000 2.961 935 N HA 0.483 5.231 4.740 0.014 0.000 0.245 935 N C 0.148 175.710 175.510 0.087 0.000 1.404 935 N CA -0.522 52.648 53.050 0.200 0.000 0.880 935 N CB 0.969 39.566 38.487 0.182 0.000 1.461 935 N HN 0.734 nan 8.380 nan 0.000 0.510 936 G N -1.231 107.580 108.800 0.018 0.000 2.184 936 G HA2 -0.264 3.704 3.960 0.014 0.000 0.264 936 G HA3 -0.264 3.704 3.960 0.014 0.000 0.264 936 G C -0.200 174.443 174.900 -0.428 0.000 0.975 936 G CA 0.378 45.369 45.100 -0.183 0.000 0.642 936 G HN 0.718 nan 8.290 nan 0.000 0.536 937 L N 0.129 121.030 121.223 -0.537 0.000 2.506 937 L HA 0.636 4.984 4.340 0.014 0.000 0.281 937 L C 0.702 176.989 176.870 -0.972 0.000 1.228 937 L CA 0.492 54.774 54.840 -0.930 0.000 0.850 937 L CB 0.514 41.672 42.059 -1.503 0.000 1.110 937 L HN 0.268 nan 8.230 nan 0.000 0.496 938 R N 2.407 122.243 120.500 -1.107 0.000 2.561 938 R HA 0.505 4.854 4.340 0.014 0.000 0.297 938 R C -0.903 175.050 176.300 -0.579 0.000 0.969 938 R CA -0.278 55.311 56.100 -0.852 0.000 0.879 938 R CB 1.410 31.056 30.300 -1.090 0.000 1.178 938 R HN 0.718 nan 8.270 nan 0.000 0.445 939 C N 0.242 119.352 119.300 -0.316 0.000 2.484 939 C HA 0.695 5.164 4.460 0.014 0.000 0.409 939 C C 1.291 176.266 174.990 -0.026 0.000 1.434 939 C CA 0.058 58.971 59.018 -0.175 0.000 1.913 939 C CB 1.255 28.917 27.740 -0.131 0.000 2.028 939 C HN 1.020 nan 8.230 nan 0.000 0.516 940 G N 1.611 110.411 108.800 -0.000 0.000 2.341 940 G HA2 -0.191 3.778 3.960 0.014 0.000 0.292 940 G HA3 -0.191 3.778 3.960 0.014 0.000 0.292 940 G C -0.032 174.935 174.900 0.111 0.000 1.021 940 G CA 0.679 45.832 45.100 0.088 0.000 0.905 940 G HN 0.784 nan 8.290 nan 0.000 0.508 941 T N -0.086 114.410 114.554 -0.098 0.000 2.799 941 T HA 0.527 4.886 4.350 0.014 0.000 0.286 941 T C 1.274 175.662 174.700 -0.520 0.000 0.973 941 T CA -0.593 61.377 62.100 -0.216 0.000 1.035 941 T CB 1.388 70.156 68.868 -0.168 0.000 0.932 941 T HN 0.191 nan 8.240 nan 0.000 0.469 942 R N 1.490 121.888 120.500 -0.169 0.000 2.307 942 R HA 0.300 4.649 4.340 0.014 0.000 0.200 942 R C 0.445 176.751 176.300 0.012 0.000 0.893 942 R CA 0.156 56.216 56.100 -0.067 0.000 1.042 942 R CB 0.359 30.763 30.300 0.173 0.000 1.059 942 R HN 0.730 nan 8.270 nan 0.000 0.530 943 E N 0.421 120.641 120.200 0.033 0.000 2.388 943 E HA 0.278 4.637 4.350 0.014 0.000 0.289 943 E C -1.893 174.843 176.600 0.228 0.000 0.944 943 E CA -0.602 55.915 56.400 0.195 0.000 0.792 943 E CB 1.374 31.152 29.700 0.131 0.000 1.239 943 E HN -0.076 nan 8.360 nan 0.000 0.412 944 L N 4.091 125.515 121.223 0.334 0.000 2.385 944 L HA 0.609 4.957 4.340 0.014 0.000 0.273 944 L C -1.765 175.292 176.870 0.312 0.000 0.990 944 L CA -0.377 54.599 54.840 0.226 0.000 0.821 944 L CB 1.753 43.817 42.059 0.009 0.000 1.279 944 L HN 0.484 nan 8.230 nan 0.000 0.412 945 N N 4.461 123.320 118.700 0.264 0.000 2.314 945 N HA 0.404 5.152 4.740 0.014 0.000 0.294 945 N C -1.970 173.763 175.510 0.371 0.000 1.029 945 N CA -0.285 52.918 53.050 0.255 0.000 0.845 945 N CB 2.250 40.830 38.487 0.156 0.000 1.321 945 N HN 0.621 nan 8.380 nan 0.000 0.481 946 Y N 1.127 121.558 120.300 0.218 0.000 2.323 946 Y HA 0.390 4.948 4.550 0.014 0.000 0.322 946 Y C 0.539 176.535 175.900 0.160 0.000 1.133 946 Y CA 0.160 58.390 58.100 0.217 0.000 1.093 946 Y CB 0.562 39.212 38.460 0.316 0.000 1.203 946 Y HN 0.871 nan 8.280 nan 0.000 0.427 947 G N 6.480 115.093 108.800 -0.312 0.000 2.574 947 G HA2 -0.295 3.673 3.960 0.014 0.000 0.286 947 G HA3 -0.295 3.673 3.960 0.014 0.000 0.286 947 G C -1.740 173.032 174.900 -0.214 0.000 1.212 947 G CA 0.082 44.986 45.100 -0.327 0.000 0.979 947 G HN 0.598 nan 8.290 nan 0.000 0.557 948 P HA 0.152 nan 4.420 nan 0.000 0.245 948 P C 0.260 177.366 177.300 -0.322 0.000 1.206 948 P CA 0.746 63.654 63.100 -0.320 0.000 0.781 948 P CB 0.034 31.485 31.700 -0.414 0.000 0.994 949 H N 0.433 119.441 119.070 -0.103 0.000 2.482 949 H HA 0.444 5.009 4.556 0.014 0.000 0.344 949 H C -0.032 175.005 175.328 -0.485 0.000 1.151 949 H CA 0.021 55.877 56.048 -0.321 0.000 1.300 949 H CB 1.482 30.876 29.762 -0.614 0.000 1.494 949 H HN 0.082 nan 8.280 nan 0.000 0.542 950 Q N 2.381 121.896 119.800 -0.474 0.000 2.285 950 Q HA 0.229 4.577 4.340 0.014 0.000 0.269 950 Q C -1.567 174.128 176.000 -0.507 0.000 1.030 950 Q CA -0.696 54.922 55.803 -0.309 0.000 0.788 950 Q CB 1.905 30.606 28.738 -0.062 0.000 1.266 950 Q HN 0.570 nan 8.270 nan 0.000 0.438 951 W N 4.008 125.252 121.300 -0.092 0.000 2.632 951 W HA 0.578 5.246 4.660 0.014 0.000 0.328 951 W C -0.155 176.436 176.519 0.120 0.000 1.044 951 W CA -0.731 56.526 57.345 -0.148 0.000 1.225 951 W CB 1.882 31.038 29.460 -0.505 0.000 1.396 951 W HN 0.521 nan 8.180 nan 0.000 0.499 952 R N 0.738 121.464 120.500 0.377 0.000 2.750 952 R HA 0.784 5.133 4.340 0.014 0.000 0.281 952 R C 0.178 176.763 176.300 0.475 0.000 0.972 952 R CA -0.500 55.852 56.100 0.420 0.000 0.912 952 R CB 2.413 32.863 30.300 0.249 0.000 1.187 952 R HN 0.745 nan 8.270 nan 0.000 0.464 953 G N 0.624 109.705 108.800 0.468 0.000 2.564 953 G HA2 0.017 3.985 3.960 0.014 0.000 0.139 953 G HA3 0.017 3.985 3.960 0.014 0.000 0.139 953 G C -1.743 173.297 174.900 0.232 0.000 1.147 953 G CA -0.294 45.043 45.100 0.395 0.000 1.031 953 G HN 0.490 nan 8.290 nan 0.000 0.482 954 D N 0.059 120.597 120.400 0.229 0.000 2.527 954 D HA 0.547 5.196 4.640 0.014 0.000 0.242 954 D C -0.776 175.537 176.300 0.022 0.000 1.285 954 D CA -0.465 53.548 54.000 0.021 0.000 0.886 954 D CB 0.101 40.947 40.800 0.077 0.000 1.402 954 D HN 0.509 nan 8.370 nan 0.000 0.528 955 F N -0.285 119.658 119.950 -0.012 0.000 2.691 955 F HA 0.760 5.295 4.527 0.014 0.000 0.334 955 F C -0.752 175.006 175.800 -0.070 0.000 1.107 955 F CA -0.995 56.936 58.000 -0.115 0.000 0.991 955 F CB 0.788 39.722 39.000 -0.111 0.000 1.400 955 F HN -0.194 nan 8.300 nan 0.000 0.503 956 Q N 1.539 121.418 119.800 0.131 0.000 2.348 956 Q HA 0.653 5.001 4.340 0.014 0.000 0.271 956 Q C -1.241 174.840 176.000 0.134 0.000 1.067 956 Q CA -0.561 55.239 55.803 -0.004 0.000 0.839 956 Q CB 2.685 31.318 28.738 -0.174 0.000 1.354 956 Q HN 0.871 nan 8.270 nan 0.000 0.447 957 F N -1.177 118.665 119.950 -0.179 0.000 2.693 957 F HA 0.714 5.250 4.527 0.014 0.000 0.309 957 F C -1.632 173.958 175.800 -0.349 0.000 1.129 957 F CA -1.101 56.750 58.000 -0.248 0.000 0.948 957 F CB 1.439 40.319 39.000 -0.199 0.000 1.315 957 F HN 0.572 nan 8.300 nan 0.000 0.447 958 N N 1.894 120.437 118.700 -0.262 0.000 2.357 958 N HA 0.759 5.507 4.740 0.014 0.000 0.284 958 N C -2.073 173.378 175.510 -0.098 0.000 1.236 958 N CA -0.790 52.069 53.050 -0.317 0.000 0.774 958 N CB 2.707 41.023 38.487 -0.285 0.000 1.534 958 N HN 1.114 nan 8.380 nan 0.000 0.478 959 I N 0.319 120.823 120.570 -0.111 0.000 2.649 959 I HA 0.653 4.832 4.170 0.014 0.000 0.289 959 I C -1.467 174.572 176.117 -0.131 0.000 1.222 959 I CA 0.011 61.218 61.300 -0.155 0.000 1.046 959 I CB 1.357 39.203 38.000 -0.257 0.000 1.272 959 I HN 1.063 nan 8.210 nan 0.000 0.425 960 S N 6.271 121.907 115.700 -0.106 0.000 2.656 960 S HA 0.499 4.978 4.470 0.014 0.000 0.265 960 S C -0.355 174.143 174.600 -0.170 0.000 1.132 960 S CA -0.965 57.164 58.200 -0.117 0.000 0.819 960 S CB 1.657 64.846 63.200 -0.018 0.000 1.119 960 S HN 0.623 nan 8.310 nan 0.000 0.476 961 R N -0.024 120.199 120.500 -0.463 0.000 2.356 961 R HA 0.290 4.638 4.340 0.014 0.000 0.234 961 R C -0.983 174.998 176.300 -0.532 0.000 0.929 961 R CA 0.238 56.057 56.100 -0.468 0.000 1.084 961 R CB -1.126 28.762 30.300 -0.686 0.000 1.105 961 R HN 0.657 nan 8.270 nan 0.000 0.515 962 Y N -0.071 120.192 120.300 -0.062 0.000 2.350 962 Y HA 0.218 4.777 4.550 0.014 0.000 0.338 962 Y C 0.690 176.366 175.900 -0.373 0.000 0.961 962 Y CA -1.151 56.822 58.100 -0.212 0.000 1.100 962 Y CB 1.441 39.722 38.460 -0.299 0.000 1.179 962 Y HN -0.093 nan 8.280 nan 0.000 0.454 963 S N 1.704 117.063 115.700 -0.569 0.000 2.585 963 S HA 0.039 4.518 4.470 0.014 0.000 0.273 963 S C 0.886 175.132 174.600 -0.590 0.000 1.339 963 S CA -0.745 56.752 58.200 -1.172 0.000 1.028 963 S CB 1.157 63.580 63.200 -1.295 0.000 0.906 963 S HN 0.739 nan 8.310 nan 0.000 0.528 964 Q N 0.898 120.371 119.800 -0.545 0.000 2.135 964 Q HA -0.220 4.128 4.340 0.014 0.000 0.204 964 Q C 2.195 178.049 176.000 -0.243 0.000 0.981 964 Q CA 1.926 57.557 55.803 -0.286 0.000 0.856 964 Q CB -0.517 28.093 28.738 -0.214 0.000 0.902 964 Q HN 0.979 nan 8.270 nan 0.000 0.425 965 Q N 0.589 120.208 119.800 -0.301 0.000 2.084 965 Q HA -0.214 4.135 4.340 0.014 0.000 0.202 965 Q C 2.126 178.016 176.000 -0.183 0.000 0.978 965 Q CA 1.485 57.169 55.803 -0.197 0.000 0.844 965 Q CB 0.030 28.657 28.738 -0.184 0.000 0.898 965 Q HN 0.398 nan 8.270 nan 0.000 0.426 966 Q N -0.055 119.604 119.800 -0.234 0.000 2.079 966 Q HA -0.156 4.192 4.340 0.014 0.000 0.200 966 Q C 2.161 178.032 176.000 -0.216 0.000 0.974 966 Q CA 1.234 56.914 55.803 -0.206 0.000 0.840 966 Q CB -0.025 28.564 28.738 -0.248 0.000 0.898 966 Q HN 0.475 nan 8.270 nan 0.000 0.430 967 L N 0.043 121.131 121.223 -0.225 0.000 2.046 967 L HA -0.191 4.158 4.340 0.014 0.000 0.208 967 L C 2.654 179.384 176.870 -0.233 0.000 1.077 967 L CA 1.112 55.813 54.840 -0.233 0.000 0.747 967 L CB -0.356 41.597 42.059 -0.176 0.000 0.896 967 L HN 0.378 nan 8.230 nan 0.000 0.432 968 M N -0.498 118.996 119.600 -0.175 0.000 2.319 968 M HA -0.157 4.331 4.480 0.014 0.000 0.265 968 M C 1.606 177.831 176.300 -0.126 0.000 1.068 968 M CA 1.588 56.801 55.300 -0.144 0.000 1.118 968 M CB 0.120 32.650 32.600 -0.117 0.000 1.395 968 M HN 0.205 nan 8.290 nan 0.000 0.435 969 E N -0.612 119.514 120.200 -0.123 0.000 2.474 969 E HA 0.047 4.406 4.350 0.014 0.000 0.194 969 E C -0.374 176.177 176.600 -0.081 0.000 1.041 969 E CA 0.137 56.488 56.400 -0.081 0.000 0.874 969 E CB 0.500 30.159 29.700 -0.068 0.000 0.914 969 E HN 0.298 nan 8.360 nan 0.000 0.498 970 T N 0.284 114.752 114.554 -0.143 0.000 2.770 970 T HA 0.090 4.449 4.350 0.014 0.000 0.283 970 T C 0.951 175.562 174.700 -0.148 0.000 0.988 970 T CA -0.477 61.543 62.100 -0.134 0.000 0.957 970 T CB 1.649 70.401 68.868 -0.192 0.000 0.930 970 T HN 0.009 nan 8.240 nan 0.000 0.443 971 S N 1.865 117.579 115.700 0.023 0.000 2.558 971 S HA 0.086 4.564 4.470 0.014 0.000 0.217 971 S C 0.254 174.932 174.600 0.131 0.000 0.975 971 S CA 0.244 58.541 58.200 0.162 0.000 0.912 971 S CB -0.233 63.205 63.200 0.396 0.000 0.776 971 S HN 0.736 nan 8.310 nan 0.000 0.526 972 H N 0.401 119.468 119.070 -0.006 0.000 2.771 972 H HA 0.488 5.053 4.556 0.014 0.000 0.361 972 H C 0.897 176.190 175.328 -0.058 0.000 1.108 972 H CA -0.780 55.314 56.048 0.077 0.000 1.201 972 H CB 1.516 31.296 29.762 0.031 0.000 1.681 972 H HN 0.113 nan 8.280 nan 0.000 0.534 973 R N 1.765 122.369 120.500 0.173 0.000 2.120 973 R HA -0.160 4.189 4.340 0.014 0.000 0.234 973 R C 1.205 177.514 176.300 0.014 0.000 1.123 973 R CA 1.856 57.990 56.100 0.058 0.000 0.975 973 R CB -0.419 29.954 30.300 0.122 0.000 0.866 973 R HN 0.775 nan 8.270 nan 0.000 0.446 974 H N 1.134 120.209 119.070 0.007 0.000 2.545 974 H HA 0.022 4.586 4.556 0.014 0.000 0.282 974 H C 1.494 176.741 175.328 -0.134 0.000 1.020 974 H CA 0.807 56.818 56.048 -0.062 0.000 1.243 974 H CB -0.137 29.582 29.762 -0.073 0.000 1.377 974 H HN 0.321 nan 8.280 nan 0.000 0.581 975 L N 0.896 121.717 121.223 -0.671 0.000 2.591 975 L HA 0.193 4.542 4.340 0.014 0.000 0.228 975 L C 0.730 177.459 176.870 -0.235 0.000 1.133 975 L CA -0.112 54.430 54.840 -0.498 0.000 0.880 975 L CB 0.031 41.772 42.059 -0.530 0.000 1.033 975 L HN 0.055 nan 8.230 nan 0.000 0.450 976 L N 0.853 121.928 121.223 -0.246 0.000 2.439 976 L HA 0.153 4.501 4.340 0.014 0.000 0.269 976 L C 0.224 177.061 176.870 -0.054 0.000 1.179 976 L CA -0.088 54.580 54.840 -0.286 0.000 0.828 976 L CB 0.383 42.033 42.059 -0.681 0.000 1.106 976 L HN 0.203 nan 8.230 nan 0.000 0.467 977 H N 1.331 120.432 119.070 0.052 0.000 2.679 977 H HA 0.611 5.175 4.556 0.014 0.000 0.360 977 H C -0.814 174.634 175.328 0.199 0.000 1.105 977 H CA -1.240 54.873 56.048 0.107 0.000 1.196 977 H CB 1.400 31.177 29.762 0.024 0.000 1.636 977 H HN 0.683 nan 8.280 nan 0.000 0.531 978 A N 3.327 126.254 122.820 0.177 0.000 2.511 978 A HA 0.093 4.422 4.320 0.014 0.000 0.242 978 A C 0.344 177.971 177.584 0.071 0.000 1.069 978 A CA -0.129 51.859 52.037 -0.082 0.000 0.763 978 A CB -0.014 18.918 19.000 -0.112 0.000 1.001 978 A HN 0.850 nan 8.150 nan 0.000 0.498 979 E N 0.722 120.930 120.200 0.013 0.000 2.359 979 E HA 0.233 4.592 4.350 0.014 0.000 0.255 979 E C -0.042 176.603 176.600 0.074 0.000 1.191 979 E CA -0.691 55.801 56.400 0.153 0.000 0.952 979 E CB 0.652 30.515 29.700 0.272 0.000 1.152 979 E HN 0.797 nan 8.360 nan 0.000 0.496 980 E N 0.000 120.241 120.200 0.067 0.000 2.398 980 E HA 0.231 4.590 4.350 0.014 0.000 0.263 980 E C 0.234 176.805 176.600 -0.049 0.000 1.046 980 E CA 0.525 56.927 56.400 0.004 0.000 0.908 980 E CB 0.455 30.152 29.700 -0.005 0.000 0.963 980 E HN 0.658 nan 8.360 nan 0.000 0.431 981 G N 2.255 111.024 108.800 -0.052 0.000 2.752 981 G HA2 -0.227 3.741 3.960 0.014 0.000 0.234 981 G HA3 -0.227 3.741 3.960 0.014 0.000 0.234 981 G C -0.641 174.202 174.900 -0.095 0.000 1.367 981 G CA -0.182 44.869 45.100 -0.082 0.000 0.879 981 G HN 0.588 nan 8.290 nan 0.000 0.563 982 T N 0.287 114.768 114.554 -0.121 0.000 2.812 982 T HA 0.496 4.854 4.350 0.014 0.000 0.282 982 T C -0.592 173.949 174.700 -0.264 0.000 0.990 982 T CA -0.146 61.885 62.100 -0.115 0.000 0.960 982 T CB 1.274 70.156 68.868 0.024 0.000 0.948 982 T HN 0.551 nan 8.240 nan 0.000 0.438 983 W N 3.334 124.542 121.300 -0.153 0.000 2.345 983 W HA 0.551 5.219 4.660 0.014 0.000 0.308 983 W C -0.223 176.163 176.519 -0.222 0.000 1.273 983 W CA -0.687 56.562 57.345 -0.159 0.000 1.243 983 W CB 0.611 29.988 29.460 -0.137 0.000 1.260 983 W HN 0.376 nan 8.180 nan 0.000 0.509 984 L N 5.887 127.083 121.223 -0.045 0.000 2.305 984 L HA 0.487 4.835 4.340 0.014 0.000 0.284 984 L C -0.864 175.903 176.870 -0.173 0.000 1.013 984 L CA -0.423 54.275 54.840 -0.236 0.000 0.819 984 L CB 0.699 42.456 42.059 -0.503 0.000 1.227 984 L HN 0.297 nan 8.230 nan 0.000 0.417 985 N N 7.056 125.652 118.700 -0.172 0.000 2.476 985 N HA 0.452 5.200 4.740 0.014 0.000 0.257 985 N C -1.132 174.239 175.510 -0.231 0.000 0.970 985 N CA -0.192 52.758 53.050 -0.167 0.000 0.938 985 N CB 2.045 40.462 38.487 -0.117 0.000 1.144 985 N HN 0.559 nan 8.380 nan 0.000 0.500 986 I N 1.883 122.268 120.570 -0.308 0.000 2.382 986 I HA 0.241 4.420 4.170 0.014 0.000 0.286 986 I C -0.617 175.315 176.117 -0.308 0.000 1.002 986 I CA -0.617 60.467 61.300 -0.360 0.000 1.135 986 I CB 1.609 39.209 38.000 -0.666 0.000 1.288 986 I HN 0.157 nan 8.210 nan 0.000 0.448 987 D N 4.451 124.706 120.400 -0.242 0.000 2.248 987 D HA 0.283 4.931 4.640 0.014 0.000 0.246 987 D C 0.921 176.917 176.300 -0.507 0.000 1.027 987 D CA -0.274 53.516 54.000 -0.351 0.000 0.853 987 D CB 2.525 43.218 40.800 -0.179 0.000 1.243 987 D HN 0.690 nan 8.370 nan 0.000 0.462 988 G N 0.894 109.091 108.800 -1.006 0.000 2.408 988 G HA2 -0.003 3.965 3.960 0.014 0.000 0.215 988 G HA3 -0.003 3.965 3.960 0.014 0.000 0.215 988 G C 0.078 174.229 174.900 -1.248 0.000 1.156 988 G CA 0.592 44.950 45.100 -1.237 0.000 0.793 988 G HN 0.369 nan 8.290 nan 0.000 0.535 989 F N -2.152 117.592 119.950 -0.343 0.000 2.601 989 F HA 0.601 5.136 4.527 0.014 0.000 0.309 989 F C -0.594 175.107 175.800 -0.166 0.000 1.089 989 F CA -1.203 56.680 58.000 -0.196 0.000 0.940 989 F CB 2.098 40.916 39.000 -0.303 0.000 1.273 989 F HN 0.031 nan 8.300 nan 0.000 0.450 990 H N 1.743 120.820 119.070 0.012 0.000 2.865 990 H HA 0.527 5.091 4.556 0.014 0.000 0.362 990 H C -0.791 174.564 175.328 0.045 0.000 1.114 990 H CA -0.856 55.177 56.048 -0.025 0.000 1.208 990 H CB 1.822 31.561 29.762 -0.037 0.000 1.727 990 H HN 0.780 nan 8.280 nan 0.000 0.534 991 M N 3.462 123.022 119.600 -0.067 0.000 2.245 991 M HA 0.274 4.762 4.480 0.014 0.000 0.330 991 M C 0.557 176.979 176.300 0.203 0.000 1.098 991 M CA 0.393 55.720 55.300 0.044 0.000 1.172 991 M CB 0.368 32.887 32.600 -0.135 0.000 1.467 991 M HN 0.837 nan 8.290 nan 0.000 0.454 992 G N 2.694 111.596 108.800 0.170 0.000 2.716 992 G HA2 0.259 4.228 3.960 0.014 0.000 0.251 992 G HA3 0.259 4.228 3.960 0.014 0.000 0.251 992 G C 0.566 175.455 174.900 -0.019 0.000 1.224 992 G CA -0.253 44.881 45.100 0.057 0.000 0.891 992 G HN 0.976 nan 8.290 nan 0.000 0.561 993 I N -2.122 118.380 120.570 -0.112 0.000 3.854 993 I HA 0.438 4.616 4.170 0.014 0.000 0.312 993 I C 1.190 177.238 176.117 -0.116 0.000 1.273 993 I CA 0.420 61.613 61.300 -0.178 0.000 1.298 993 I CB -0.477 37.309 38.000 -0.356 0.000 1.071 993 I HN 0.966 nan 8.210 nan 0.000 0.428 994 G N 1.517 110.271 108.800 -0.076 0.000 2.698 994 G HA2 0.049 4.017 3.960 0.014 0.000 0.233 994 G HA3 0.049 4.017 3.960 0.014 0.000 0.233 994 G C 0.536 175.432 174.900 -0.007 0.000 1.352 994 G CA 0.093 45.187 45.100 -0.010 0.000 0.879 994 G HN 1.326 nan 8.290 nan 0.000 0.567 995 G N -2.471 106.341 108.800 0.021 0.000 2.902 995 G HA2 0.009 3.977 3.960 0.014 0.000 0.215 995 G HA3 0.009 3.977 3.960 0.014 0.000 0.215 995 G C 0.692 175.646 174.900 0.090 0.000 0.976 995 G CA 0.951 46.074 45.100 0.037 0.000 0.794 995 G HN 0.956 nan 8.290 nan 0.000 0.557 996 D N 1.318 121.794 120.400 0.127 0.000 2.203 996 D HA 0.059 4.707 4.640 0.014 0.000 0.199 996 D C 0.985 177.320 176.300 0.057 0.000 0.997 996 D CA 2.111 56.248 54.000 0.229 0.000 0.863 996 D CB 0.107 41.056 40.800 0.248 0.000 0.928 996 D HN 0.802 nan 8.370 nan 0.000 0.458 997 D N -3.340 116.897 120.400 -0.271 0.000 2.643 997 D HA 0.336 4.985 4.640 0.014 0.000 0.283 997 D C -0.798 175.014 176.300 -0.813 0.000 1.242 997 D CA -0.752 52.667 54.000 -0.968 0.000 0.863 997 D CB 0.941 40.606 40.800 -1.891 0.000 1.382 997 D HN -0.306 nan 8.370 nan 0.000 0.444 998 S N -0.549 114.528 115.700 -1.039 0.000 2.651 998 S HA 0.241 4.719 4.470 0.014 0.000 0.246 998 S C -0.586 174.075 174.600 0.101 0.000 1.039 998 S CA -0.696 57.374 58.200 -0.217 0.000 1.013 998 S CB -0.511 62.782 63.200 0.155 0.000 0.861 998 S HN 0.626 nan 8.310 nan 0.000 0.485 999 W N 0.927 122.177 121.300 -0.083 0.000 2.304 999 W HA 0.530 5.198 4.660 0.013 0.000 0.326 999 W C 0.089 176.565 176.519 -0.072 0.000 0.920 999 W CA -0.458 56.841 57.345 -0.075 0.000 1.518 999 W CB -0.421 28.924 29.460 -0.192 0.000 1.112 999 W HN 0.194 nan 8.180 nan 0.000 0.528 1000 S N -1.011 114.583 115.700 -0.175 0.000 2.570 1000 S HA 0.640 5.118 4.470 0.014 0.000 0.270 1000 S C -3.147 171.395 174.600 -0.097 0.000 1.149 1000 S CA -1.644 56.495 58.200 -0.101 0.000 0.837 1000 S CB 1.677 64.830 63.200 -0.077 0.000 1.124 1000 S HN -0.235 nan 8.310 nan 0.000 0.465 1001 P HA 0.215 nan 4.420 nan 0.000 0.263 1001 P C 0.295 177.641 177.300 0.076 0.000 1.195 1001 P CA -0.021 63.092 63.100 0.021 0.000 0.762 1001 P CB 0.720 32.298 31.700 -0.204 0.000 0.799 1002 S N 0.530 116.320 115.700 0.151 0.000 2.847 1002 S HA 0.145 4.624 4.470 0.014 0.000 0.254 1002 S C 0.189 174.881 174.600 0.153 0.000 1.039 1002 S CA -0.314 57.947 58.200 0.101 0.000 1.113 1002 S CB -0.275 62.934 63.200 0.014 0.000 1.092 1002 S HN 0.111 nan 8.310 nan 0.000 0.620 1003 V N 2.794 122.847 119.914 0.231 0.000 2.488 1003 V HA 0.417 4.545 4.120 0.014 0.000 0.277 1003 V C 0.826 177.077 176.094 0.261 0.000 1.046 1003 V CA -0.289 62.130 62.300 0.197 0.000 0.986 1003 V CB 1.181 33.073 31.823 0.114 0.000 0.989 1003 V HN 0.514 nan 8.190 nan 0.000 0.475 1004 S N 3.810 119.675 115.700 0.276 0.000 2.579 1004 S HA 0.333 4.811 4.470 0.014 0.000 0.275 1004 S C 1.528 176.280 174.600 0.253 0.000 1.345 1004 S CA 0.067 58.424 58.200 0.261 0.000 1.031 1004 S CB 1.198 64.579 63.200 0.301 0.000 0.892 1004 S HN 0.993 nan 8.310 nan 0.000 0.529 1005 A N 3.319 126.245 122.820 0.178 0.000 1.917 1005 A HA -0.164 4.165 4.320 0.014 0.000 0.219 1005 A C 2.018 179.647 177.584 0.075 0.000 1.182 1005 A CA 1.960 54.087 52.037 0.150 0.000 0.633 1005 A CB -0.791 18.272 19.000 0.104 0.000 0.819 1005 A HN 0.966 nan 8.150 nan 0.000 0.448 1006 E N -0.834 119.354 120.200 -0.020 0.000 2.401 1006 E HA -0.150 4.208 4.350 0.014 0.000 0.199 1006 E C 0.804 177.189 176.600 -0.358 0.000 1.023 1006 E CA 0.917 57.185 56.400 -0.220 0.000 0.859 1006 E CB -0.467 29.014 29.700 -0.365 0.000 0.780 1006 E HN 0.685 nan 8.360 nan 0.000 0.523 1007 F N 1.001 121.006 119.950 0.092 0.000 2.661 1007 F HA 0.274 4.809 4.527 0.014 0.000 0.306 1007 F C 0.885 176.728 175.800 0.071 0.000 1.094 1007 F CA -0.505 57.549 58.000 0.091 0.000 1.254 1007 F CB 0.576 39.631 39.000 0.090 0.000 1.040 1007 F HN -0.194 nan 8.300 nan 0.000 0.562 1008 Q N 1.236 121.148 119.800 0.185 0.000 2.230 1008 Q HA 0.392 4.741 4.340 0.014 0.000 0.248 1008 Q C -0.159 175.880 176.000 0.064 0.000 0.915 1008 Q CA -0.500 55.389 55.803 0.144 0.000 0.900 1008 Q CB 1.817 30.725 28.738 0.283 0.000 1.229 1008 Q HN 0.250 nan 8.270 nan 0.000 0.439 1009 L N 2.445 123.692 121.223 0.040 0.000 2.399 1009 L HA 0.107 4.455 4.340 0.014 0.000 0.257 1009 L C 0.630 177.484 176.870 -0.027 0.000 1.236 1009 L CA -0.050 54.806 54.840 0.026 0.000 1.144 1009 L CB -0.401 41.564 42.059 -0.156 0.000 1.379 1009 L HN 0.666 nan 8.230 nan 0.000 0.414 1010 S N -1.206 114.374 115.700 -0.201 0.000 2.568 1010 S HA 0.166 4.644 4.470 0.014 0.000 0.232 1010 S C 1.567 176.082 174.600 -0.141 0.000 0.975 1010 S CA 0.148 58.066 58.200 -0.470 0.000 0.949 1010 S CB 0.753 63.506 63.200 -0.746 0.000 0.829 1010 S HN 0.509 nan 8.310 nan 0.000 0.479 1011 A N 1.308 124.076 122.820 -0.087 0.000 2.168 1011 A HA 0.483 4.811 4.320 0.014 0.000 0.215 1011 A C 2.059 179.478 177.584 -0.274 0.000 1.152 1011 A CA 1.036 52.894 52.037 -0.300 0.000 0.716 1011 A CB -1.225 17.384 19.000 -0.653 0.000 0.794 1011 A HN 1.421 nan 8.150 nan 0.000 0.465 1012 G N -0.996 107.743 108.800 -0.102 0.000 2.990 1012 G HA2 -0.314 3.655 3.960 0.014 0.000 0.225 1012 G HA3 -0.314 3.655 3.960 0.014 0.000 0.225 1012 G C 0.474 175.354 174.900 -0.034 0.000 1.304 1012 G CA 0.479 45.570 45.100 -0.014 0.000 0.816 1012 G HN 0.683 nan 8.290 nan 0.000 0.528 1013 R N -0.399 119.962 120.500 -0.231 0.000 2.534 1013 R HA 0.695 5.043 4.340 0.014 0.000 0.301 1013 R C -1.500 174.565 176.300 -0.391 0.000 0.961 1013 R CA -0.568 55.448 56.100 -0.141 0.000 0.871 1013 R CB 1.491 31.747 30.300 -0.074 0.000 1.170 1013 R HN 0.291 nan 8.270 nan 0.000 0.446 1014 Y N 0.487 120.779 120.300 -0.014 0.000 2.442 1014 Y HA 0.318 4.876 4.550 0.014 0.000 0.344 1014 Y C -0.421 175.616 175.900 0.229 0.000 0.976 1014 Y CA -0.830 57.225 58.100 -0.076 0.000 1.040 1014 Y CB 2.122 40.412 38.460 -0.283 0.000 1.228 1014 Y HN 0.589 nan 8.280 nan 0.000 0.451 1015 H N 3.174 122.503 119.070 0.431 0.000 2.600 1015 H HA 0.616 5.181 4.556 0.014 0.000 0.357 1015 H C -1.679 174.034 175.328 0.641 0.000 1.106 1015 H CA -0.899 55.395 56.048 0.411 0.000 1.193 1015 H CB 1.180 31.086 29.762 0.240 0.000 1.594 1015 H HN 0.581 nan 8.280 nan 0.000 0.526 1016 Y N 1.385 121.458 120.300 -0.379 0.000 2.638 1016 Y HA 0.483 5.042 4.550 0.014 0.000 0.335 1016 Y C -2.058 173.621 175.900 -0.368 0.000 1.155 1016 Y CA -1.126 56.828 58.100 -0.243 0.000 1.046 1016 Y CB 1.391 39.838 38.460 -0.023 0.000 1.303 1016 Y HN 0.732 nan 8.280 nan 0.000 0.460 1017 Q N 2.838 122.618 119.800 -0.032 0.000 2.340 1017 Q HA 0.793 5.141 4.340 0.014 0.000 0.276 1017 Q C -2.053 174.032 176.000 0.142 0.000 1.048 1017 Q CA -1.052 54.733 55.803 -0.030 0.000 0.832 1017 Q CB 3.279 32.043 28.738 0.044 0.000 1.373 1017 Q HN 0.824 nan 8.270 nan 0.000 0.409 1018 L N 0.675 121.969 121.223 0.118 0.000 2.376 1018 L HA 0.786 5.135 4.340 0.014 0.000 0.258 1018 L C -0.943 176.037 176.870 0.184 0.000 1.013 1018 L CA -1.334 53.614 54.840 0.179 0.000 0.822 1018 L CB 2.568 44.710 42.059 0.138 0.000 1.388 1018 L HN 0.433 nan 8.230 nan 0.000 0.413 1019 V N 0.351 120.397 119.914 0.221 0.000 2.487 1019 V HA 0.404 4.532 4.120 0.014 0.000 0.298 1019 V C -1.350 174.900 176.094 0.261 0.000 1.028 1019 V CA -0.397 62.038 62.300 0.225 0.000 0.860 1019 V CB 2.198 34.129 31.823 0.181 0.000 0.991 1019 V HN 0.610 nan 8.190 nan 0.000 0.427 1020 W N 6.886 128.234 121.300 0.080 0.000 2.417 1020 W HA 0.719 5.387 4.660 0.014 0.000 0.315 1020 W C -0.255 176.263 176.519 -0.002 0.000 1.045 1020 W CA -1.141 56.169 57.345 -0.058 0.000 1.221 1020 W CB 1.389 30.880 29.460 0.052 0.000 1.309 1020 W HN 0.881 nan 8.180 nan 0.000 0.453 1021 C N 4.018 123.548 119.300 0.382 0.000 3.285 1021 C HA 0.833 5.302 4.460 0.014 0.000 0.320 1021 C C -0.632 174.479 174.990 0.202 0.000 1.411 1021 C CA -0.883 58.297 59.018 0.269 0.000 1.429 1021 C CB 1.499 29.344 27.740 0.175 0.000 1.812 1021 C HN 0.698 nan 8.230 nan 0.000 0.454 1022 Q N 1.727 121.603 119.800 0.126 0.000 2.316 1022 Q HA 0.789 5.137 4.340 0.014 0.000 0.264 1022 Q C -0.574 175.430 176.000 0.007 0.000 0.987 1022 Q CA -0.007 55.820 55.803 0.039 0.000 0.852 1022 Q CB 1.190 29.924 28.738 -0.007 0.000 1.287 1022 Q HN 0.938 nan 8.270 nan 0.000 0.448 1023 K N 0.000 120.381 120.400 -0.032 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.014 0.000 0.191 1023 K CA 0.000 56.272 56.287 -0.025 0.000 0.838 1023 K CB 0.000 32.490 32.500 -0.017 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543