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 3dyo_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 ANIETNGMVP 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 0.000 176.113 176.300 -0.312 0.000 0.893 13 R CA 0.000 55.978 56.100 -0.203 0.000 0.921 13 R CB 0.000 30.175 30.300 -0.208 0.000 0.687 14 R N 1.801 122.035 120.500 -0.443 0.000 3.264 14 R HA -0.153 4.196 4.340 0.016 0.000 0.251 14 R C -0.194 175.590 176.300 -0.860 0.000 0.971 14 R CA 0.781 56.217 56.100 -1.107 0.000 0.658 14 R CB -1.176 28.563 30.300 -0.937 0.000 1.095 14 R HN 0.236 nan 8.270 nan 0.000 0.443 15 D N -0.359 119.768 120.400 -0.455 0.000 2.265 15 D HA -0.191 4.459 4.640 0.016 0.000 0.208 15 D C 1.546 177.769 176.300 -0.129 0.000 0.977 15 D CA 1.666 55.444 54.000 -0.369 0.000 0.871 15 D CB -0.147 40.215 40.800 -0.730 0.000 0.925 15 D HN 0.725 nan 8.370 nan 0.000 0.485 16 W N 1.274 122.589 121.300 0.025 0.000 3.204 16 W HA 0.189 4.859 4.660 0.016 0.000 0.249 16 W C 0.278 176.891 176.519 0.157 0.000 1.322 16 W CA -0.223 57.242 57.345 0.200 0.000 1.593 16 W CB -0.193 29.438 29.460 0.285 0.000 1.122 16 W HN -0.187 nan 8.180 nan 0.000 0.710 17 E N 1.045 121.140 120.200 -0.175 0.000 3.428 17 E HA 0.038 4.397 4.350 0.016 0.000 0.191 17 E C -0.830 175.605 176.600 -0.275 0.000 0.980 17 E CA -0.224 56.074 56.400 -0.170 0.000 1.305 17 E CB -0.178 29.394 29.700 -0.212 0.000 1.105 17 E HN 0.030 nan 8.360 nan 0.000 0.455 18 N N 1.289 119.869 118.700 -0.200 0.000 2.594 18 N HA 0.159 4.909 4.740 0.016 0.000 0.280 18 N C -2.452 172.921 175.510 -0.228 0.000 1.156 18 N CA -2.052 50.850 53.050 -0.246 0.000 0.831 18 N CB 1.453 39.804 38.487 -0.226 0.000 1.379 18 N HN -0.171 nan 8.380 nan 0.000 0.536 19 P HA 0.148 nan 4.420 nan 0.000 0.247 19 P C 0.922 177.999 177.300 -0.372 0.000 1.225 19 P CA 0.355 63.171 63.100 -0.473 0.000 0.768 19 P CB 0.016 31.014 31.700 -1.170 0.000 1.020 20 G N -0.655 107.970 108.800 -0.291 0.000 2.939 20 G HA2 0.119 4.089 3.960 0.016 0.000 0.210 20 G HA3 0.119 4.089 3.960 0.016 0.000 0.210 20 G C 0.138 174.961 174.900 -0.128 0.000 1.160 20 G CA 0.182 45.153 45.100 -0.215 0.000 0.770 20 G HN 0.189 nan 8.290 nan 0.000 0.543 21 V N 1.686 121.542 119.914 -0.097 0.000 2.357 21 V HA 0.292 4.422 4.120 0.016 0.000 0.281 21 V C 0.784 176.930 176.094 0.086 0.000 1.015 21 V CA 0.049 62.339 62.300 -0.018 0.000 0.827 21 V CB 1.283 33.070 31.823 -0.060 0.000 1.018 21 V HN 0.310 nan 8.190 nan 0.000 0.432 22 T N 0.622 115.227 114.554 0.085 0.000 3.023 22 T HA 0.372 4.732 4.350 0.016 0.000 0.253 22 T C 0.237 175.009 174.700 0.120 0.000 1.038 22 T CA 0.114 62.280 62.100 0.110 0.000 0.962 22 T CB 0.311 69.194 68.868 0.025 0.000 1.018 22 T HN 0.695 nan 8.240 nan 0.000 0.521 23 Q N 0.217 120.128 119.800 0.186 0.000 2.776 23 Q HA 0.670 5.019 4.340 0.016 0.000 0.289 23 Q C -2.300 173.845 176.000 0.241 0.000 0.912 23 Q CA -1.052 54.864 55.803 0.188 0.000 0.789 23 Q CB 0.804 29.565 28.738 0.038 0.000 1.498 23 Q HN 0.219 nan 8.270 nan 0.000 0.408 24 L N 1.743 123.136 121.223 0.284 0.000 2.438 24 L HA 0.607 4.956 4.340 0.016 0.000 0.270 24 L C -0.580 176.424 176.870 0.223 0.000 0.972 24 L CA -0.894 54.112 54.840 0.278 0.000 0.831 24 L CB 1.944 44.285 42.059 0.472 0.000 1.273 24 L HN 0.850 nan 8.230 nan 0.000 0.405 25 N N 0.807 119.608 118.700 0.167 0.000 2.753 25 N HA -0.217 4.532 4.740 0.016 0.000 0.251 25 N C 0.184 175.789 175.510 0.158 0.000 1.097 25 N CA 0.856 53.993 53.050 0.144 0.000 0.786 25 N CB -0.828 37.700 38.487 0.069 0.000 1.137 25 N HN 0.664 nan 8.380 nan 0.000 0.566 26 R N 0.877 121.402 120.500 0.041 0.000 2.441 26 R HA 0.416 4.765 4.340 0.016 0.000 0.284 26 R C 0.551 176.723 176.300 -0.214 0.000 1.070 26 R CA -0.373 55.538 56.100 -0.316 0.000 1.047 26 R CB 0.563 30.656 30.300 -0.345 0.000 1.016 26 R HN 0.123 nan 8.270 nan 0.000 0.477 27 L N 2.765 123.827 121.223 -0.267 0.000 2.466 27 L HA 0.342 4.692 4.340 0.016 0.000 0.257 27 L C 0.609 177.422 176.870 -0.096 0.000 1.189 27 L CA -0.695 54.074 54.840 -0.119 0.000 0.813 27 L CB 0.791 42.802 42.059 -0.080 0.000 1.118 27 L HN 0.778 nan 8.230 nan 0.000 0.471 28 A N 1.126 123.929 122.820 -0.028 0.000 2.483 28 A HA 0.468 4.797 4.320 0.016 0.000 0.238 28 A C 0.320 177.912 177.584 0.013 0.000 1.070 28 A CA 0.023 52.055 52.037 -0.008 0.000 0.770 28 A CB 0.134 19.152 19.000 0.029 0.000 1.008 28 A HN 0.787 nan 8.150 nan 0.000 0.497 29 A N 1.541 124.328 122.820 -0.054 0.000 2.366 29 A HA 0.677 5.007 4.320 0.016 0.000 0.249 29 A C 0.146 177.656 177.584 -0.123 0.000 1.084 29 A CA 0.548 52.489 52.037 -0.160 0.000 0.794 29 A CB -0.054 18.845 19.000 -0.167 0.000 1.034 29 A HN 1.911 nan 8.150 nan 0.000 0.491 30 H N -2.539 116.374 119.070 -0.261 0.000 2.904 30 H HA 0.621 5.187 4.556 0.016 0.000 0.290 30 H C -3.390 171.662 175.328 -0.459 0.000 1.437 30 H CA -1.706 54.131 56.048 -0.352 0.000 1.147 30 H CB 0.116 29.558 29.762 -0.533 0.000 1.824 30 H HN 0.398 nan 8.280 nan 0.000 0.505 31 P HA 0.240 nan 4.420 nan 0.000 0.276 31 P C -2.613 174.507 177.300 -0.299 0.000 1.261 31 P CA -1.608 61.281 63.100 -0.351 0.000 0.800 31 P CB -0.318 31.125 31.700 -0.427 0.000 1.066 32 P HA 0.073 nan 4.420 nan 0.000 0.263 32 P C -0.793 176.706 177.300 0.332 0.000 1.195 32 P CA 1.068 64.194 63.100 0.042 0.000 0.762 32 P CB -0.148 31.618 31.700 0.109 0.000 0.799 33 F N 1.226 121.270 119.950 0.157 0.000 2.561 33 F HA 0.589 5.126 4.527 0.016 0.000 0.321 33 F C 0.935 176.667 175.800 -0.113 0.000 1.065 33 F CA -1.104 56.944 58.000 0.081 0.000 0.934 33 F CB 2.288 41.307 39.000 0.033 0.000 1.215 33 F HN 0.211 nan 8.300 nan 0.000 0.471 34 A N 0.545 123.294 122.820 -0.119 0.000 2.548 34 A HA 0.241 4.570 4.320 0.016 0.000 0.236 34 A C 0.613 177.907 177.584 -0.483 0.000 1.246 34 A CA 0.425 52.147 52.037 -0.524 0.000 0.993 34 A CB -0.047 18.153 19.000 -1.333 0.000 1.209 34 A HN 0.781 nan 8.150 nan 0.000 0.570 35 S N 0.392 115.928 115.700 -0.273 0.000 3.524 35 S HA -0.144 4.335 4.470 0.016 0.000 0.377 35 S C -0.037 174.514 174.600 -0.082 0.000 0.949 35 S CA 0.411 58.507 58.200 -0.173 0.000 1.264 35 S CB -1.570 61.520 63.200 -0.183 0.000 0.918 35 S HN 0.461 nan 8.310 nan 0.000 0.517 36 W N 1.900 123.193 121.300 -0.012 0.000 2.184 36 W HA 0.335 5.004 4.660 0.016 0.000 0.338 36 W C 1.350 177.867 176.519 -0.004 0.000 1.257 36 W CA -0.701 56.648 57.345 0.006 0.000 1.243 36 W CB 0.351 29.810 29.460 -0.001 0.000 1.122 36 W HN 0.337 nan 8.180 nan 0.000 0.585 37 R N 1.678 122.336 120.500 0.263 0.000 2.577 37 R HA 0.104 4.454 4.340 0.016 0.000 0.344 37 R C -0.115 176.261 176.300 0.127 0.000 1.037 37 R CA -0.141 56.052 56.100 0.154 0.000 1.102 37 R CB -0.247 30.127 30.300 0.124 0.000 1.313 37 R HN 0.375 nan 8.270 nan 0.000 0.561 38 N N -0.291 118.494 118.700 0.141 0.000 2.369 38 N HA 0.127 4.877 4.740 0.016 0.000 0.287 38 N C -0.161 175.322 175.510 -0.045 0.000 1.067 38 N CA -0.074 53.003 53.050 0.044 0.000 0.888 38 N CB 2.025 40.536 38.487 0.041 0.000 1.616 38 N HN -0.275 nan 8.380 nan 0.000 0.482 39 S N 2.158 117.808 115.700 -0.083 0.000 2.383 39 S HA -0.136 4.344 4.470 0.016 0.000 0.227 39 S C 1.361 175.790 174.600 -0.285 0.000 1.026 39 S CA 1.139 59.246 58.200 -0.155 0.000 0.981 39 S CB -0.042 63.101 63.200 -0.096 0.000 0.818 39 S HN 0.757 nan 8.310 nan 0.000 0.472 40 E N 1.361 121.413 120.200 -0.246 0.000 2.150 40 E HA -0.121 4.238 4.350 0.016 0.000 0.193 40 E C 1.856 178.238 176.600 -0.365 0.000 0.985 40 E CA 0.995 57.213 56.400 -0.304 0.000 0.814 40 E CB -0.041 29.539 29.700 -0.201 0.000 0.752 40 E HN 0.265 nan 8.360 nan 0.000 0.466 41 E N 0.159 120.149 120.200 -0.349 0.000 2.106 41 E HA -0.135 4.225 4.350 0.016 0.000 0.192 41 E C 1.986 177.973 176.600 -1.023 0.000 0.984 41 E CA 1.081 57.217 56.400 -0.440 0.000 0.806 41 E CB -0.464 29.128 29.700 -0.179 0.000 0.750 41 E HN 0.384 nan 8.360 nan 0.000 0.458 42 A N 1.639 123.628 122.820 -1.385 0.000 1.873 42 A HA -0.187 4.142 4.320 0.016 0.000 0.215 42 A C 2.256 179.231 177.584 -1.016 0.000 1.186 42 A CA 1.645 52.541 52.037 -1.901 0.000 0.616 42 A CB -0.516 17.924 19.000 -0.933 0.000 0.823 42 A HN 0.143 nan 8.150 nan 0.000 0.442 43 R N -0.235 119.855 120.500 -0.683 0.000 2.096 43 R HA -0.160 4.190 4.340 0.016 0.000 0.240 43 R C 2.091 178.109 176.300 -0.470 0.000 1.139 43 R CA 2.264 58.008 56.100 -0.594 0.000 0.952 43 R CB -0.552 29.268 30.300 -0.800 0.000 0.854 43 R HN 0.635 nan 8.270 nan 0.000 0.436 44 T N -2.678 111.614 114.554 -0.437 0.000 3.148 44 T HA 0.021 4.381 4.350 0.016 0.000 0.253 44 T C 0.327 174.916 174.700 -0.184 0.000 1.134 44 T CA 0.650 62.587 62.100 -0.273 0.000 1.051 44 T CB 0.036 68.777 68.868 -0.211 0.000 0.959 44 T HN 0.410 nan 8.240 nan 0.000 0.525 45 D N 0.480 120.725 120.400 -0.259 0.000 2.981 45 D HA -0.153 4.497 4.640 0.016 0.000 0.223 45 D C 0.129 176.546 176.300 0.195 0.000 1.151 45 D CA 0.479 54.493 54.000 0.025 0.000 0.827 45 D CB -1.038 39.826 40.800 0.107 0.000 1.101 45 D HN 0.582 nan 8.370 nan 0.000 0.426 46 R N -0.117 120.457 120.500 0.124 0.000 2.541 46 R HA 0.521 4.871 4.340 0.016 0.000 0.263 46 R C -2.132 174.431 176.300 0.438 0.000 1.112 46 R CA -1.389 54.837 56.100 0.209 0.000 1.170 46 R CB 0.181 30.541 30.300 0.101 0.000 1.167 46 R HN 0.046 nan 8.270 nan 0.000 0.582 47 P HA -0.026 nan 4.420 nan 0.000 0.269 47 P C -0.792 176.699 177.300 0.317 0.000 1.215 47 P CA 0.124 63.382 63.100 0.263 0.000 0.780 47 P CB 0.741 32.532 31.700 0.152 0.000 0.898 48 S N 1.064 116.817 115.700 0.088 0.000 2.451 48 S HA 0.149 4.629 4.470 0.016 0.000 0.301 48 S C 0.879 175.502 174.600 0.039 0.000 1.116 48 S CA -0.484 57.687 58.200 -0.048 0.000 1.093 48 S CB 0.623 63.425 63.200 -0.663 0.000 1.017 48 S HN 0.359 nan 8.310 nan 0.000 0.482 49 Q N 1.894 121.762 119.800 0.114 0.000 2.436 49 Q HA -0.034 4.316 4.340 0.016 0.000 0.209 49 Q C 0.709 176.852 176.000 0.239 0.000 0.965 49 Q CA 0.919 56.813 55.803 0.152 0.000 0.910 49 Q CB 0.109 28.942 28.738 0.157 0.000 0.980 49 Q HN 0.683 nan 8.270 nan 0.000 0.491 50 Q N -0.440 119.457 119.800 0.162 0.000 2.403 50 Q HA 0.098 4.448 4.340 0.016 0.000 0.203 50 Q C -0.521 175.550 176.000 0.120 0.000 0.932 50 Q CA 0.253 56.165 55.803 0.182 0.000 0.945 50 Q CB 0.482 29.227 28.738 0.012 0.000 1.045 50 Q HN 0.050 nan 8.270 nan 0.000 0.511 51 L N 0.623 121.894 121.223 0.081 0.000 2.342 51 L HA 0.473 4.822 4.340 0.016 0.000 0.276 51 L C -1.201 175.729 176.870 0.101 0.000 0.997 51 L CA -0.497 54.372 54.840 0.049 0.000 0.838 51 L CB 1.250 43.258 42.059 -0.085 0.000 1.224 51 L HN -0.110 nan 8.230 nan 0.000 0.416 52 R N 2.973 123.564 120.500 0.152 0.000 2.599 52 R HA 0.588 4.938 4.340 0.016 0.000 0.295 52 R C -0.955 175.378 176.300 0.054 0.000 0.963 52 R CA -0.434 55.732 56.100 0.110 0.000 0.883 52 R CB 1.863 32.260 30.300 0.162 0.000 1.171 52 R HN 0.684 nan 8.270 nan 0.000 0.450 53 S N 3.754 119.474 115.700 0.033 0.000 2.523 53 S HA 0.237 4.717 4.470 0.016 0.000 0.275 53 S C 0.736 175.348 174.600 0.021 0.000 1.281 53 S CA -0.545 57.666 58.200 0.018 0.000 1.050 53 S CB 0.585 63.802 63.200 0.028 0.000 0.937 53 S HN 0.664 nan 8.310 nan 0.000 0.492 54 L N 3.808 125.046 121.223 0.025 0.000 2.700 54 L HA 0.260 4.610 4.340 0.016 0.000 0.234 54 L C 0.245 177.288 176.870 0.287 0.000 1.156 54 L CA -0.332 54.559 54.840 0.085 0.000 0.946 54 L CB -0.271 41.804 42.059 0.026 0.000 1.216 54 L HN 0.530 nan 8.230 nan 0.000 0.493 55 N N 1.360 120.156 118.700 0.160 0.000 2.479 55 N HA 0.421 5.171 4.740 0.016 0.000 0.257 55 N C 0.603 176.244 175.510 0.220 0.000 1.232 55 N CA 0.946 54.089 53.050 0.155 0.000 0.920 55 N CB 1.374 39.889 38.487 0.046 0.000 1.105 55 N HN 0.300 nan 8.380 nan 0.000 0.444 56 G N 0.675 109.630 108.800 0.258 0.000 2.347 56 G HA2 -0.043 3.927 3.960 0.016 0.000 0.224 56 G HA3 -0.043 3.927 3.960 0.016 0.000 0.224 56 G C -1.553 173.566 174.900 0.365 0.000 1.318 56 G CA -0.774 44.477 45.100 0.251 0.000 1.016 56 G HN 0.447 nan 8.290 nan 0.000 0.469 57 E N 0.015 120.400 120.200 0.307 0.000 2.194 57 E HA 0.478 4.838 4.350 0.016 0.000 0.284 57 E C -1.008 175.842 176.600 0.416 0.000 1.035 57 E CA -0.195 56.389 56.400 0.307 0.000 0.836 57 E CB 1.105 30.908 29.700 0.172 0.000 1.070 57 E HN 0.357 nan 8.360 nan 0.000 0.401 58 W N 1.599 122.991 121.300 0.153 0.000 2.958 58 W HA 0.413 5.083 4.660 0.016 0.000 0.339 58 W C -0.016 176.632 176.519 0.215 0.000 1.174 58 W CA -0.708 56.758 57.345 0.202 0.000 1.064 58 W CB 0.832 30.459 29.460 0.278 0.000 1.471 58 W HN 0.168 nan 8.180 nan 0.000 0.599 59 R N 1.609 122.395 120.500 0.477 0.000 2.346 59 R HA 0.521 4.871 4.340 0.016 0.000 0.311 59 R C -1.436 175.117 176.300 0.422 0.000 0.983 59 R CA -0.771 55.550 56.100 0.367 0.000 0.880 59 R CB 0.896 31.362 30.300 0.277 0.000 1.100 59 R HN 0.428 nan 8.270 nan 0.000 0.453 60 F N 0.667 120.660 119.950 0.072 0.000 2.588 60 F HA 0.670 5.207 4.527 0.016 0.000 0.310 60 F C -1.465 174.198 175.800 -0.228 0.000 1.082 60 F CA -0.747 57.157 58.000 -0.161 0.000 0.929 60 F CB 2.088 40.882 39.000 -0.343 0.000 1.254 60 F HN 0.589 nan 8.300 nan 0.000 0.455 61 A N 4.235 126.310 122.820 -1.243 0.000 2.459 61 A HA 0.531 4.861 4.320 0.016 0.000 0.296 61 A C -2.369 174.233 177.584 -1.636 0.000 1.039 61 A CA -0.479 50.868 52.037 -1.149 0.000 0.698 61 A CB 0.535 19.206 19.000 -0.548 0.000 1.261 61 A HN 0.935 nan 8.150 nan 0.000 0.405 62 W N 2.709 123.078 121.300 -1.552 0.000 2.438 62 W HA 0.764 5.433 4.660 0.016 0.000 0.324 62 W C -1.708 174.192 176.519 -1.031 0.000 1.119 62 W CA -0.279 56.348 57.345 -1.198 0.000 1.221 62 W CB 1.007 30.021 29.460 -0.744 0.000 1.253 62 W HN 0.491 nan 8.180 nan 0.000 0.555 63 F N 5.598 124.840 119.950 -1.180 0.000 2.588 63 F HA 0.338 4.875 4.527 0.016 0.000 0.310 63 F C -1.353 173.597 175.800 -1.416 0.000 1.082 63 F CA -2.238 55.224 58.000 -0.897 0.000 0.929 63 F CB 1.928 40.557 39.000 -0.619 0.000 1.254 63 F HN 0.199 nan 8.300 nan 0.000 0.455 64 P HA 0.130 nan 4.420 nan 0.000 0.233 64 P C -0.366 176.829 177.300 -0.174 0.000 1.167 64 P CA 0.805 63.689 63.100 -0.360 0.000 0.770 64 P CB 0.646 32.394 31.700 0.080 0.000 0.837 65 A N -0.707 122.004 122.820 -0.181 0.000 2.590 65 A HA 0.476 4.806 4.320 0.016 0.000 0.294 65 A C -2.437 175.049 177.584 -0.164 0.000 1.046 65 A CA -0.909 51.065 52.037 -0.104 0.000 0.684 65 A CB 0.300 19.307 19.000 0.012 0.000 1.279 65 A HN -0.312 nan 8.150 nan 0.000 0.415 66 P HA -0.171 nan 4.420 nan 0.000 0.216 66 P C 0.790 177.997 177.300 -0.155 0.000 1.153 66 P CA 1.838 64.804 63.100 -0.223 0.000 0.858 66 P CB 0.164 31.698 31.700 -0.276 0.000 0.789 67 E N -0.077 120.096 120.200 -0.045 0.000 2.333 67 E HA -0.060 4.300 4.350 0.016 0.000 0.198 67 E C 1.983 178.531 176.600 -0.086 0.000 1.007 67 E CA 1.172 57.557 56.400 -0.025 0.000 0.845 67 E CB -0.876 28.847 29.700 0.038 0.000 0.766 67 E HN 0.256 nan 8.360 nan 0.000 0.507 68 A N 0.437 123.179 122.820 -0.130 0.000 2.238 68 A HA 0.097 4.426 4.320 0.016 0.000 0.208 68 A C 0.674 178.011 177.584 -0.411 0.000 1.177 68 A CA -0.081 51.882 52.037 -0.124 0.000 0.804 68 A CB 0.213 19.237 19.000 0.041 0.000 0.823 68 A HN 0.042 nan 8.150 nan 0.000 0.482 69 V N 2.589 122.140 119.914 -0.605 0.000 2.498 69 V HA 0.245 4.375 4.120 0.016 0.000 0.279 69 V C -2.229 173.581 176.094 -0.473 0.000 1.048 69 V CA -1.624 60.096 62.300 -0.967 0.000 0.967 69 V CB 0.974 32.231 31.823 -0.944 0.000 0.988 69 V HN 0.288 nan 8.190 nan 0.000 0.473 70 P HA 0.270 nan 4.420 nan 0.000 0.281 70 P C 0.159 177.412 177.300 -0.078 0.000 1.252 70 P CA -0.389 62.625 63.100 -0.143 0.000 0.778 70 P CB 1.132 32.801 31.700 -0.052 0.000 0.895 71 E N 1.119 121.281 120.200 -0.063 0.000 2.219 71 E HA -0.212 4.147 4.350 0.016 0.000 0.198 71 E C 1.948 178.521 176.600 -0.045 0.000 0.998 71 E CA 1.618 57.980 56.400 -0.063 0.000 0.818 71 E CB -0.919 28.749 29.700 -0.053 0.000 0.741 71 E HN 0.536 nan 8.360 nan 0.000 0.477 72 S N -0.098 115.597 115.700 -0.008 0.000 2.399 72 S HA -0.288 4.191 4.470 0.016 0.000 0.235 72 S C 1.761 176.369 174.600 0.015 0.000 1.063 72 S CA 1.667 59.873 58.200 0.010 0.000 1.070 72 S CB -0.618 62.607 63.200 0.042 0.000 0.904 72 S HN 0.615 nan 8.310 nan 0.000 0.456 73 W N 1.785 122.994 121.300 -0.152 0.000 2.342 73 W HA -0.047 4.622 4.660 0.016 0.000 0.297 73 W C 1.872 178.276 176.519 -0.190 0.000 1.213 73 W CA 1.525 58.775 57.345 -0.159 0.000 1.251 73 W CB -0.500 28.841 29.460 -0.199 0.000 1.136 73 W HN 0.341 nan 8.180 nan 0.000 0.526 74 L N 0.249 121.174 121.223 -0.497 0.000 2.083 74 L HA -0.203 4.147 4.340 0.016 0.000 0.209 74 L C 2.341 178.943 176.870 -0.447 0.000 1.083 74 L CA 1.676 56.086 54.840 -0.717 0.000 0.752 74 L CB -0.774 40.948 42.059 -0.561 0.000 0.899 74 L HN -0.038 nan 8.230 nan 0.000 0.433 75 E N -0.882 119.155 120.200 -0.272 0.000 2.086 75 E HA -0.039 4.320 4.350 0.016 0.000 0.190 75 E C 0.399 176.919 176.600 -0.133 0.000 0.975 75 E CA 0.686 56.991 56.400 -0.159 0.000 0.813 75 E CB 0.355 30.000 29.700 -0.092 0.000 0.768 75 E HN 0.565 nan 8.360 nan 0.000 0.457 76 C N -1.234 117.995 119.300 -0.118 0.000 3.285 76 C HA 0.533 5.002 4.460 0.016 0.000 0.325 76 C C -0.472 174.514 174.990 -0.006 0.000 1.304 76 C CA -1.633 57.346 59.018 -0.065 0.000 1.319 76 C CB 0.760 28.480 27.740 -0.033 0.000 1.640 76 C HN 0.240 nan 8.230 nan 0.000 0.477 77 D N 0.659 121.071 120.400 0.021 0.000 2.548 77 D HA 0.210 4.859 4.640 0.016 0.000 0.231 77 D C -0.190 176.186 176.300 0.127 0.000 1.142 77 D CA 0.447 54.503 54.000 0.094 0.000 0.866 77 D CB 0.533 41.381 40.800 0.081 0.000 1.190 77 D HN 0.603 nan 8.370 nan 0.000 0.469 78 L N 6.352 127.694 121.223 0.198 0.000 2.325 78 L HA 0.195 4.544 4.340 0.016 0.000 0.284 78 L C -1.057 175.873 176.870 0.100 0.000 1.089 78 L CA -1.488 53.447 54.840 0.158 0.000 0.836 78 L CB 1.075 43.238 42.059 0.172 0.000 1.184 78 L HN 0.550 nan 8.230 nan 0.000 0.444 79 P HA -0.248 nan 4.420 nan 0.000 0.220 79 P C 0.585 177.913 177.300 0.046 0.000 1.155 79 P CA 1.578 64.709 63.100 0.053 0.000 0.880 79 P CB 0.231 31.956 31.700 0.041 0.000 0.790 80 E N -0.527 119.695 120.200 0.038 0.000 2.502 80 E HA 0.277 4.636 4.350 0.016 0.000 0.194 80 E C 1.011 177.615 176.600 0.007 0.000 1.062 80 E CA -0.014 56.396 56.400 0.017 0.000 0.867 80 E CB -0.570 29.127 29.700 -0.005 0.000 0.888 80 E HN 0.285 nan 8.360 nan 0.000 0.510 81 A N 1.051 123.887 122.820 0.027 0.000 2.313 81 A HA 0.233 4.562 4.320 0.016 0.000 0.261 81 A C -0.078 177.557 177.584 0.084 0.000 1.090 81 A CA -0.483 51.568 52.037 0.023 0.000 0.807 81 A CB 0.424 19.459 19.000 0.059 0.000 1.055 81 A HN -0.021 nan 8.150 nan 0.000 0.492 82 D N -0.166 120.316 120.400 0.137 0.000 2.326 82 D HA 0.484 5.134 4.640 0.016 0.000 0.251 82 D C -0.566 175.855 176.300 0.201 0.000 1.023 82 D CA 0.094 54.203 54.000 0.182 0.000 0.966 82 D CB 1.385 42.344 40.800 0.266 0.000 1.156 82 D HN 0.369 nan 8.370 nan 0.000 0.494 83 T N 0.559 115.211 114.554 0.163 0.000 2.767 83 T HA 0.512 4.872 4.350 0.016 0.000 0.288 83 T C 0.106 174.900 174.700 0.156 0.000 0.963 83 T CA -0.493 61.709 62.100 0.171 0.000 1.019 83 T CB 0.739 69.682 68.868 0.124 0.000 0.923 83 T HN 0.268 nan 8.240 nan 0.000 0.468 84 V N 1.385 121.420 119.914 0.202 0.000 3.167 84 V HA 0.814 4.943 4.120 0.016 0.000 0.310 84 V C -0.465 175.734 176.094 0.175 0.000 1.207 84 V CA -1.005 61.367 62.300 0.119 0.000 1.059 84 V CB 1.580 33.459 31.823 0.094 0.000 1.079 84 V HN 0.502 nan 8.190 nan 0.000 0.446 85 V N 0.978 120.964 119.914 0.120 0.000 2.567 85 V HA 0.634 4.763 4.120 0.016 0.000 0.289 85 V C -0.160 176.027 176.094 0.155 0.000 1.049 85 V CA -0.160 62.228 62.300 0.146 0.000 0.969 85 V CB 1.515 33.391 31.823 0.089 0.000 0.995 85 V HN 0.754 nan 8.190 nan 0.000 0.471 86 V N 6.295 126.225 119.914 0.026 0.000 2.638 86 V HA 0.453 4.582 4.120 0.016 0.000 0.306 86 V C -2.367 173.627 176.094 -0.167 0.000 1.052 86 V CA -1.671 60.514 62.300 -0.191 0.000 0.885 86 V CB 2.584 33.985 31.823 -0.703 0.000 0.999 86 V HN 0.766 nan 8.190 nan 0.000 0.424 87 P HA 0.401 nan 4.420 nan 0.000 0.274 87 P C -0.748 176.492 177.300 -0.100 0.000 1.231 87 P CA 0.012 62.997 63.100 -0.191 0.000 0.790 87 P CB 1.316 32.912 31.700 -0.174 0.000 0.951 88 S N 0.494 116.144 115.700 -0.083 0.000 2.595 88 S HA 0.422 4.901 4.470 0.016 0.000 0.270 88 S C -1.368 173.170 174.600 -0.104 0.000 1.145 88 S CA -1.010 57.130 58.200 -0.102 0.000 0.825 88 S CB 0.505 63.635 63.200 -0.116 0.000 1.107 88 S HN 0.363 nan 8.310 nan 0.000 0.461 89 N N 1.114 119.682 118.700 -0.220 0.000 2.417 89 N HA 0.424 5.174 4.740 0.016 0.000 0.274 89 N C 0.467 175.798 175.510 -0.297 0.000 0.987 89 N CA -0.854 52.038 53.050 -0.264 0.000 0.912 89 N CB 0.763 39.065 38.487 -0.309 0.000 1.177 89 N HN 0.859 nan 8.380 nan 0.000 0.490 90 W N 2.463 123.615 121.300 -0.247 0.000 2.387 90 W HA -0.105 4.565 4.660 0.016 0.000 0.272 90 W C 0.985 177.480 176.519 -0.040 0.000 1.224 90 W CA 0.753 57.963 57.345 -0.226 0.000 1.210 90 W CB -0.368 28.985 29.460 -0.178 0.000 1.125 90 W HN 0.501 nan 8.180 nan 0.000 0.572 91 Q N 0.420 120.214 119.800 -0.009 0.000 2.226 91 Q HA -0.113 4.236 4.340 0.016 0.000 0.204 91 Q C 2.168 178.126 176.000 -0.071 0.000 0.975 91 Q CA 1.787 57.579 55.803 -0.019 0.000 0.866 91 Q CB -0.502 28.107 28.738 -0.216 0.000 0.915 91 Q HN 0.295 nan 8.270 nan 0.000 0.440 92 M N -1.091 118.428 119.600 -0.135 0.000 2.492 92 M HA -0.034 4.456 4.480 0.016 0.000 0.262 92 M C 0.706 177.062 176.300 0.093 0.000 1.090 92 M CA 1.341 56.578 55.300 -0.105 0.000 1.110 92 M CB -0.476 32.032 32.600 -0.152 0.000 1.407 92 M HN 0.365 nan 8.290 nan 0.000 0.470 93 H N -0.730 118.381 119.070 0.068 0.000 2.529 93 H HA 0.283 4.849 4.556 0.016 0.000 0.277 93 H C 1.249 176.503 175.328 -0.123 0.000 1.004 93 H CA 0.090 56.166 56.048 0.047 0.000 1.167 93 H CB 0.365 30.259 29.762 0.220 0.000 1.445 93 H HN 0.562 nan 8.280 nan 0.000 0.554 94 G N 0.674 109.502 108.800 0.046 0.000 2.159 94 G HA2 -0.382 3.588 3.960 0.016 0.000 0.256 94 G HA3 -0.382 3.588 3.960 0.016 0.000 0.256 94 G C 0.448 175.247 174.900 -0.168 0.000 0.977 94 G CA 0.424 45.477 45.100 -0.078 0.000 0.652 94 G HN 0.493 nan 8.290 nan 0.000 0.531 95 Y N 1.575 121.899 120.300 0.040 0.000 2.352 95 Y HA 0.234 4.793 4.550 0.016 0.000 0.292 95 Y C 1.699 177.347 175.900 -0.420 0.000 1.136 95 Y CA 1.563 59.557 58.100 -0.177 0.000 1.227 95 Y CB 0.152 38.576 38.460 -0.061 0.000 0.991 95 Y HN 0.672 nan 8.280 nan 0.000 0.545 96 D N -1.868 118.598 120.400 0.110 0.000 2.692 96 D HA 0.505 5.154 4.640 0.016 0.000 0.303 96 D C -1.247 175.139 176.300 0.143 0.000 1.278 96 D CA -0.839 53.224 54.000 0.104 0.000 0.852 96 D CB 0.785 41.757 40.800 0.286 0.000 1.375 96 D HN -0.080 nan 8.370 nan 0.000 0.453 97 A N -0.095 122.821 122.820 0.160 0.000 2.303 97 A HA 0.748 5.077 4.320 0.016 0.000 0.317 97 A C -2.424 175.202 177.584 0.070 0.000 1.149 97 A CA -1.294 50.814 52.037 0.119 0.000 0.822 97 A CB 0.448 19.583 19.000 0.224 0.000 1.131 97 A HN 0.545 nan 8.150 nan 0.000 0.493 98 P HA 0.507 nan 4.420 nan 0.000 0.282 98 P C -0.957 176.512 177.300 0.282 0.000 1.249 98 P CA -0.006 63.059 63.100 -0.060 0.000 0.806 98 P CB 0.880 32.304 31.700 -0.459 0.000 0.984 99 I N 2.314 123.138 120.570 0.423 0.000 2.509 99 I HA 0.268 4.447 4.170 0.016 0.000 0.293 99 I C -0.557 175.732 176.117 0.287 0.000 1.020 99 I CA -1.026 60.513 61.300 0.398 0.000 1.088 99 I CB 1.825 39.996 38.000 0.286 0.000 1.267 99 I HN 0.281 nan 8.210 nan 0.000 0.430 100 Y N 5.697 125.917 120.300 -0.135 0.000 2.593 100 Y HA 0.482 5.041 4.550 0.016 0.000 0.331 100 Y C -0.270 175.475 175.900 -0.258 0.000 0.986 100 Y CA -0.544 57.210 58.100 -0.577 0.000 1.262 100 Y CB 0.946 38.599 38.460 -1.345 0.000 1.098 100 Y HN 0.537 nan 8.280 nan 0.000 0.506 101 T N 4.971 119.034 114.554 -0.818 0.000 2.863 101 T HA 0.262 4.621 4.350 0.016 0.000 0.285 101 T C 0.312 174.543 174.700 -0.782 0.000 1.009 101 T CA -0.565 61.083 62.100 -0.753 0.000 0.989 101 T CB 1.077 69.735 68.868 -0.349 0.000 1.004 101 T HN 0.745 nan 8.240 nan 0.000 0.455 102 N N 2.887 121.176 118.700 -0.686 0.000 2.272 102 N HA 0.050 4.800 4.740 0.016 0.000 0.195 102 N C 1.555 176.865 175.510 -0.334 0.000 1.048 102 N CA 1.473 54.282 53.050 -0.402 0.000 0.912 102 N CB -0.613 37.656 38.487 -0.363 0.000 1.096 102 N HN 0.389 nan 8.380 nan 0.000 0.471 103 V N 0.330 120.023 119.914 -0.368 0.000 2.492 103 V HA 0.116 4.245 4.120 0.016 0.000 0.241 103 V C 0.415 176.296 176.094 -0.355 0.000 1.041 103 V CA 0.874 62.960 62.300 -0.356 0.000 1.057 103 V CB -0.662 30.949 31.823 -0.353 0.000 0.711 103 V HN 0.319 nan 8.190 nan 0.000 0.468 104 T N 1.070 115.449 114.554 -0.293 0.000 2.902 104 T HA 0.135 4.495 4.350 0.016 0.000 0.301 104 T C -0.346 174.236 174.700 -0.196 0.000 1.012 104 T CA 0.229 62.206 62.100 -0.206 0.000 1.151 104 T CB -0.221 68.550 68.868 -0.163 0.000 0.946 104 T HN 0.182 nan 8.240 nan 0.000 0.542 105 Y N 4.647 124.860 120.300 -0.145 0.000 2.683 105 Y HA 0.104 4.664 4.550 0.016 0.000 0.340 105 Y C -0.854 174.929 175.900 -0.195 0.000 1.245 105 Y CA -1.613 56.388 58.100 -0.164 0.000 1.485 105 Y CB 0.331 38.684 38.460 -0.177 0.000 1.328 105 Y HN 0.520 nan 8.280 nan 0.000 0.603 106 P HA 0.029 nan 4.420 nan 0.000 0.245 106 P C -0.421 176.670 177.300 -0.347 0.000 1.212 106 P CA 0.952 63.957 63.100 -0.159 0.000 0.774 106 P CB 0.018 31.656 31.700 -0.103 0.000 0.999 107 I N -5.621 114.724 120.570 -0.375 0.000 2.934 107 I HA 0.507 4.687 4.170 0.016 0.000 0.306 107 I C -0.617 175.363 176.117 -0.229 0.000 1.110 107 I CA -1.183 59.858 61.300 -0.432 0.000 1.019 107 I CB 1.897 39.483 38.000 -0.689 0.000 1.227 107 I HN -0.475 nan 8.210 nan 0.000 0.434 108 T N 2.959 117.419 114.554 -0.157 0.000 2.928 108 T HA 0.140 4.500 4.350 0.016 0.000 0.305 108 T C 0.194 174.867 174.700 -0.045 0.000 1.035 108 T CA -0.171 61.888 62.100 -0.069 0.000 1.145 108 T CB 0.672 69.524 68.868 -0.026 0.000 0.963 108 T HN 0.389 nan 8.240 nan 0.000 0.545 109 V N 5.081 124.978 119.914 -0.029 0.000 2.381 109 V HA 0.198 4.327 4.120 0.016 0.000 0.257 109 V C 0.677 176.810 176.094 0.065 0.000 1.057 109 V CA -0.003 62.295 62.300 -0.002 0.000 1.013 109 V CB -0.303 31.490 31.823 -0.049 0.000 1.069 109 V HN 0.857 nan 8.190 nan 0.000 0.484 110 N N 5.894 124.703 118.700 0.182 0.000 2.732 110 N HA 0.241 4.991 4.740 0.016 0.000 0.230 110 N C -3.024 172.562 175.510 0.126 0.000 1.487 110 N CA -1.110 52.028 53.050 0.147 0.000 0.765 110 N CB 1.449 40.055 38.487 0.199 0.000 1.384 110 N HN 0.241 nan 8.380 nan 0.000 0.530 111 P HA 0.181 nan 4.420 nan 0.000 0.264 111 P C -2.195 174.926 177.300 -0.299 0.000 1.193 111 P CA -0.654 62.057 63.100 -0.648 0.000 0.763 111 P CB 0.534 31.799 31.700 -0.726 0.000 0.810 112 P HA 0.219 nan 4.420 nan 0.000 0.269 112 P C -0.382 176.772 177.300 -0.243 0.000 1.478 112 P CA -0.318 62.550 63.100 -0.387 0.000 1.045 112 P CB 0.167 31.622 31.700 -0.408 0.000 1.512 113 F N 1.206 121.250 119.950 0.157 0.000 2.406 113 F HA 0.255 4.792 4.527 0.016 0.000 0.327 113 F C 1.465 177.433 175.800 0.281 0.000 1.153 113 F CA -0.526 57.584 58.000 0.183 0.000 1.218 113 F CB 0.525 39.584 39.000 0.097 0.000 1.215 113 F HN -0.202 nan 8.300 nan 0.000 0.570 114 V N -0.981 119.199 119.914 0.443 0.000 3.158 114 V HA 0.720 4.849 4.120 0.016 0.000 0.315 114 V C -2.742 173.510 176.094 0.263 0.000 1.148 114 V CA -2.771 59.717 62.300 0.314 0.000 1.042 114 V CB 1.369 33.434 31.823 0.402 0.000 1.101 114 V HN 0.488 nan 8.190 nan 0.000 0.448 115 P HA 0.259 nan 4.420 nan 0.000 0.271 115 P C 1.012 178.454 177.300 0.237 0.000 1.218 115 P CA 0.327 63.518 63.100 0.152 0.000 0.780 115 P CB 0.810 32.558 31.700 0.079 0.000 0.901 116 T N -1.482 113.182 114.554 0.183 0.000 2.788 116 T HA -0.107 4.253 4.350 0.016 0.000 0.268 116 T C 0.613 175.429 174.700 0.193 0.000 1.044 116 T CA 1.019 63.231 62.100 0.188 0.000 1.139 116 T CB -0.499 68.445 68.868 0.126 0.000 0.867 116 T HN 0.295 nan 8.240 nan 0.000 0.454 117 E N 3.104 123.418 120.200 0.189 0.000 1.996 117 E HA 0.327 4.686 4.350 0.016 0.000 0.280 117 E C -0.732 176.037 176.600 0.283 0.000 1.092 117 E CA -0.138 56.383 56.400 0.201 0.000 0.862 117 E CB 0.339 30.156 29.700 0.194 0.000 1.066 117 E HN 0.382 nan 8.360 nan 0.000 0.396 118 N N 3.909 122.747 118.700 0.230 0.000 2.576 118 N HA 0.242 4.991 4.740 0.016 0.000 0.269 118 N C -2.865 172.678 175.510 0.055 0.000 1.058 118 N CA -2.332 50.887 53.050 0.282 0.000 0.860 118 N CB 1.319 39.978 38.487 0.286 0.000 1.249 118 N HN -0.060 nan 8.380 nan 0.000 0.525 119 P HA 0.034 nan 4.420 nan 0.000 0.258 119 P C -0.761 176.419 177.300 -0.198 0.000 1.172 119 P CA 0.410 63.425 63.100 -0.142 0.000 0.762 119 P CB 0.217 32.141 31.700 0.372 0.000 0.764 120 T N 2.810 116.991 114.554 -0.621 0.000 2.792 120 T HA 0.547 4.907 4.350 0.016 0.000 0.280 120 T C 0.461 174.655 174.700 -0.844 0.000 0.990 120 T CA -0.554 61.244 62.100 -0.503 0.000 0.960 120 T CB 1.523 70.149 68.868 -0.404 0.000 0.939 120 T HN 0.340 nan 8.240 nan 0.000 0.439 121 G N 1.177 109.555 108.800 -0.703 0.000 2.347 121 G HA2 0.471 4.440 3.960 0.016 0.000 0.314 121 G HA3 0.471 4.440 3.960 0.016 0.000 0.314 121 G C -0.268 174.437 174.900 -0.324 0.000 1.126 121 G CA -0.368 44.257 45.100 -0.792 0.000 0.929 121 G HN 0.869 nan 8.290 nan 0.000 0.441 122 C N 3.181 122.076 119.300 -0.675 0.000 2.239 122 C HA 0.543 5.012 4.460 0.016 0.000 0.325 122 C C -0.573 174.375 174.990 -0.070 0.000 1.231 122 C CA -0.850 57.861 59.018 -0.511 0.000 1.652 122 C CB -1.468 25.575 27.740 -1.161 0.000 2.284 122 C HN 0.643 nan 8.230 nan 0.000 0.499 123 Y N 1.802 122.374 120.300 0.454 0.000 2.487 123 Y HA 0.718 5.277 4.550 0.016 0.000 0.337 123 Y C 0.658 177.033 175.900 0.792 0.000 1.076 123 Y CA -0.353 58.140 58.100 0.656 0.000 1.115 123 Y CB 1.688 40.515 38.460 0.611 0.000 1.235 123 Y HN 0.692 nan 8.280 nan 0.000 0.468 124 S N 1.566 117.795 115.700 0.882 0.000 2.565 124 S HA 0.798 5.278 4.470 0.016 0.000 0.269 124 S C -2.077 172.625 174.600 0.170 0.000 1.153 124 S CA -0.806 57.691 58.200 0.496 0.000 0.835 124 S CB 2.047 65.452 63.200 0.342 0.000 1.122 124 S HN 0.689 nan 8.310 nan 0.000 0.462 125 L N 0.780 121.921 121.223 -0.138 0.000 2.526 125 L HA 0.706 5.056 4.340 0.016 0.000 0.263 125 L C -1.100 175.735 176.870 -0.059 0.000 0.943 125 L CA 0.147 54.759 54.840 -0.380 0.000 0.859 125 L CB 2.290 43.555 42.059 -1.324 0.000 1.313 125 L HN 0.934 nan 8.230 nan 0.000 0.406 126 T N 5.336 119.872 114.554 -0.029 0.000 2.795 126 T HA 0.784 5.143 4.350 0.016 0.000 0.282 126 T C -0.812 173.944 174.700 0.092 0.000 0.980 126 T CA 0.025 62.135 62.100 0.016 0.000 1.012 126 T CB 0.494 69.340 68.868 -0.035 0.000 0.936 126 T HN 0.500 nan 8.240 nan 0.000 0.457 127 F N 0.889 120.763 119.950 -0.127 0.000 2.773 127 F HA 0.757 5.294 4.527 0.016 0.000 0.314 127 F C -1.522 174.227 175.800 -0.085 0.000 1.160 127 F CA -1.441 56.490 58.000 -0.115 0.000 0.920 127 F CB 1.257 40.173 39.000 -0.138 0.000 1.323 127 F HN 0.499 nan 8.300 nan 0.000 0.457 128 N N 0.221 118.805 118.700 -0.193 0.000 2.571 128 N HA 0.689 5.438 4.740 0.016 0.000 0.273 128 N C -1.534 173.919 175.510 -0.096 0.000 1.340 128 N CA -0.625 52.258 53.050 -0.278 0.000 0.789 128 N CB 2.097 40.467 38.487 -0.195 0.000 1.514 128 N HN 0.980 nan 8.380 nan 0.000 0.499 129 V N -2.544 117.291 119.914 -0.131 0.000 2.960 129 V HA 0.590 4.720 4.120 0.016 0.000 0.315 129 V C -0.423 175.493 176.094 -0.296 0.000 1.087 129 V CA -0.980 61.203 62.300 -0.195 0.000 0.982 129 V CB 1.739 33.549 31.823 -0.021 0.000 1.039 129 V HN 0.883 nan 8.190 nan 0.000 0.437 130 D N 2.134 122.179 120.400 -0.591 0.000 2.488 130 D HA -0.066 4.583 4.640 0.016 0.000 0.238 130 D C 0.888 177.059 176.300 -0.215 0.000 1.138 130 D CA 0.834 54.558 54.000 -0.461 0.000 0.873 130 D CB 1.770 42.183 40.800 -0.646 0.000 1.183 130 D HN 0.956 nan 8.370 nan 0.000 0.458 131 E N 2.497 122.633 120.200 -0.106 0.000 2.110 131 E HA -0.230 4.130 4.350 0.016 0.000 0.193 131 E C 1.789 178.413 176.600 0.041 0.000 0.988 131 E CA 2.223 58.611 56.400 -0.021 0.000 0.804 131 E CB -0.408 29.284 29.700 -0.014 0.000 0.745 131 E HN 0.495 nan 8.360 nan 0.000 0.458 132 S N -0.629 115.097 115.700 0.043 0.000 2.400 132 S HA -0.182 4.298 4.470 0.016 0.000 0.232 132 S C 1.673 176.384 174.600 0.186 0.000 1.025 132 S CA 1.050 59.314 58.200 0.106 0.000 0.993 132 S CB -0.931 62.334 63.200 0.109 0.000 0.808 132 S HN 0.460 nan 8.310 nan 0.000 0.478 133 W N 1.521 122.701 121.300 -0.199 0.000 2.465 133 W HA 0.304 4.973 4.660 0.016 0.000 0.268 133 W C 1.929 178.425 176.519 -0.038 0.000 1.242 133 W CA -0.322 56.829 57.345 -0.323 0.000 1.248 133 W CB -0.836 28.453 29.460 -0.285 0.000 1.118 133 W HN 0.347 nan 8.180 nan 0.000 0.587 134 L N -0.513 120.847 121.223 0.228 0.000 2.270 134 L HA -0.115 4.235 4.340 0.016 0.000 0.210 134 L C 2.300 179.245 176.870 0.125 0.000 1.104 134 L CA 0.947 55.884 54.840 0.162 0.000 0.804 134 L CB -0.515 41.605 42.059 0.102 0.000 0.937 134 L HN -0.031 nan 8.230 nan 0.000 0.450 135 Q N -0.455 119.415 119.800 0.116 0.000 2.062 135 Q HA 0.050 4.400 4.340 0.016 0.000 0.196 135 Q C 0.213 176.271 176.000 0.098 0.000 0.967 135 Q CA 0.777 56.634 55.803 0.090 0.000 0.832 135 Q CB 0.238 29.018 28.738 0.071 0.000 0.899 135 Q HN 0.351 nan 8.270 nan 0.000 0.442 136 E N -0.861 119.420 120.200 0.134 0.000 2.450 136 E HA 0.490 4.849 4.350 0.016 0.000 0.272 136 E C -0.031 176.695 176.600 0.209 0.000 0.967 136 E CA -0.144 56.333 56.400 0.128 0.000 0.818 136 E CB 1.437 31.202 29.700 0.108 0.000 1.401 136 E HN 0.224 nan 8.360 nan 0.000 0.450 137 G N 0.950 109.802 108.800 0.087 0.000 2.752 137 G HA2 -0.286 3.684 3.960 0.016 0.000 0.234 137 G HA3 -0.286 3.684 3.960 0.016 0.000 0.234 137 G C -0.492 174.329 174.900 -0.132 0.000 1.367 137 G CA 0.190 45.229 45.100 -0.102 0.000 0.879 137 G HN 0.483 nan 8.290 nan 0.000 0.563 138 Q N -0.514 119.029 119.800 -0.428 0.000 2.333 138 Q HA 0.624 4.974 4.340 0.016 0.000 0.267 138 Q C -0.847 174.987 176.000 -0.277 0.000 1.012 138 Q CA -0.470 55.186 55.803 -0.245 0.000 0.824 138 Q CB 1.332 29.958 28.738 -0.188 0.000 1.290 138 Q HN 0.610 nan 8.270 nan 0.000 0.449 139 T N 5.080 119.627 114.554 -0.011 0.000 2.772 139 T HA 0.463 4.823 4.350 0.016 0.000 0.288 139 T C -0.631 174.129 174.700 0.101 0.000 0.994 139 T CA -0.666 61.473 62.100 0.065 0.000 0.951 139 T CB 0.503 69.542 68.868 0.285 0.000 0.933 139 T HN 0.633 nan 8.240 nan 0.000 0.447 140 R N 2.784 123.317 120.500 0.055 0.000 2.832 140 R HA 0.790 5.139 4.340 0.016 0.000 0.271 140 R C -1.084 175.270 176.300 0.091 0.000 0.996 140 R CA -1.004 55.150 56.100 0.090 0.000 0.977 140 R CB 1.533 31.866 30.300 0.055 0.000 1.168 140 R HN 0.570 nan 8.270 nan 0.000 0.482 141 I N 2.445 123.084 120.570 0.116 0.000 2.412 141 I HA 0.456 4.636 4.170 0.016 0.000 0.296 141 I C -1.153 174.988 176.117 0.039 0.000 0.987 141 I CA -1.213 60.112 61.300 0.043 0.000 1.180 141 I CB 1.299 39.339 38.000 0.065 0.000 1.340 141 I HN 0.632 nan 8.210 nan 0.000 0.455 142 I N 7.269 127.759 120.570 -0.134 0.000 2.466 142 I HA 0.308 4.488 4.170 0.016 0.000 0.289 142 I C -1.330 174.620 176.117 -0.279 0.000 1.026 142 I CA -0.376 60.871 61.300 -0.089 0.000 1.078 142 I CB 1.701 39.648 38.000 -0.087 0.000 1.249 142 I HN 0.396 nan 8.210 nan 0.000 0.429 143 F N 4.501 124.429 119.950 -0.037 0.000 2.361 143 F HA 0.280 4.817 4.527 0.016 0.000 0.364 143 F C 1.252 176.931 175.800 -0.201 0.000 1.117 143 F CA -0.434 57.474 58.000 -0.154 0.000 1.071 143 F CB 0.957 39.834 39.000 -0.204 0.000 1.188 143 F HN 0.449 nan 8.300 nan 0.000 0.464 144 D N 2.313 122.615 120.400 -0.164 0.000 2.264 144 D HA 0.064 4.714 4.640 0.016 0.000 0.208 144 D C 0.958 177.082 176.300 -0.294 0.000 0.966 144 D CA 0.875 54.739 54.000 -0.227 0.000 0.864 144 D CB 0.378 40.988 40.800 -0.317 0.000 0.933 144 D HN 0.616 nan 8.370 nan 0.000 0.499 145 G N -0.487 108.075 108.800 -0.396 0.000 2.505 145 G HA2 0.444 4.414 3.960 0.016 0.000 0.292 145 G HA3 0.444 4.414 3.960 0.016 0.000 0.292 145 G C -1.506 173.098 174.900 -0.494 0.000 1.332 145 G CA -0.394 44.338 45.100 -0.614 0.000 1.286 145 G HN -0.061 nan 8.290 nan 0.000 0.606 146 V N 2.709 122.563 119.914 -0.100 0.000 2.524 146 V HA 0.488 4.618 4.120 0.016 0.000 0.297 146 V C -0.877 175.298 176.094 0.134 0.000 1.035 146 V CA -1.168 61.092 62.300 -0.068 0.000 0.867 146 V CB 1.911 33.463 31.823 -0.451 0.000 1.004 146 V HN 0.692 nan 8.190 nan 0.000 0.426 147 N N 2.523 121.304 118.700 0.135 0.000 2.446 147 N HA 0.315 5.065 4.740 0.016 0.000 0.265 147 N C 0.664 176.097 175.510 -0.128 0.000 0.975 147 N CA 0.170 53.200 53.050 -0.034 0.000 0.928 147 N CB 2.119 40.424 38.487 -0.304 0.000 1.160 147 N HN 0.688 nan 8.380 nan 0.000 0.495 148 S N 1.847 117.509 115.700 -0.064 0.000 2.526 148 S HA 0.591 5.071 4.470 0.016 0.000 0.220 148 S C 0.319 174.970 174.600 0.085 0.000 1.017 148 S CA 0.041 58.255 58.200 0.022 0.000 0.930 148 S CB 0.347 63.571 63.200 0.039 0.000 0.856 148 S HN 0.653 nan 8.310 nan 0.000 0.497 149 A N 0.772 123.652 122.820 0.099 0.000 2.601 149 A HA 0.759 5.089 4.320 0.016 0.000 0.291 149 A C -1.375 176.274 177.584 0.109 0.000 1.075 149 A CA -0.908 51.140 52.037 0.018 0.000 0.671 149 A CB 0.688 19.723 19.000 0.057 0.000 1.277 149 A HN 1.222 nan 8.150 nan 0.000 0.417 150 F N -0.769 118.946 119.950 -0.393 0.000 2.769 150 F HA 0.690 5.226 4.527 0.016 0.000 0.313 150 F C -1.411 174.209 175.800 -0.301 0.000 1.146 150 F CA -0.806 57.066 58.000 -0.213 0.000 0.934 150 F CB 0.934 39.820 39.000 -0.190 0.000 1.283 150 F HN 0.657 nan 8.300 nan 0.000 0.443 151 H N 2.003 121.156 119.070 0.139 0.000 2.472 151 H HA 0.713 5.278 4.556 0.016 0.000 0.338 151 H C -1.421 173.841 175.328 -0.109 0.000 1.133 151 H CA -0.708 55.302 56.048 -0.064 0.000 1.216 151 H CB 2.431 32.156 29.762 -0.063 0.000 1.497 151 H HN 0.759 nan 8.280 nan 0.000 0.500 152 L N 3.579 124.538 121.223 -0.440 0.000 2.385 152 L HA 0.394 4.743 4.340 0.016 0.000 0.273 152 L C -1.595 174.944 176.870 -0.552 0.000 0.990 152 L CA -0.507 54.139 54.840 -0.323 0.000 0.821 152 L CB 1.227 42.964 42.059 -0.537 0.000 1.279 152 L HN 0.526 nan 8.230 nan 0.000 0.412 153 W N 4.407 125.659 121.300 -0.079 0.000 2.844 153 W HA 0.595 5.265 4.660 0.016 0.000 0.340 153 W C -1.160 175.290 176.519 -0.116 0.000 1.093 153 W CA -0.838 56.441 57.345 -0.110 0.000 1.212 153 W CB 2.085 31.522 29.460 -0.037 0.000 1.422 153 W HN 0.568 nan 8.180 nan 0.000 0.515 154 C N 4.539 123.897 119.300 0.096 0.000 2.397 154 C HA 0.295 4.764 4.460 0.016 0.000 0.325 154 C C 0.160 175.250 174.990 0.167 0.000 1.201 154 C CA -0.368 58.713 59.018 0.103 0.000 1.377 154 C CB -0.682 27.068 27.740 0.017 0.000 2.038 154 C HN 0.805 nan 8.230 nan 0.000 0.457 155 N N 3.666 122.431 118.700 0.109 0.000 2.740 155 N HA -0.183 4.567 4.740 0.016 0.000 0.248 155 N C 0.958 176.521 175.510 0.088 0.000 1.062 155 N CA 1.999 55.094 53.050 0.074 0.000 0.704 155 N CB -1.369 37.172 38.487 0.089 0.000 0.968 155 N HN 1.835 nan 8.380 nan 0.000 0.547 156 G N -1.201 107.637 108.800 0.064 0.000 2.212 156 G HA2 -0.384 3.586 3.960 0.016 0.000 0.266 156 G HA3 -0.384 3.586 3.960 0.016 0.000 0.266 156 G C 0.116 175.155 174.900 0.232 0.000 0.978 156 G CA 0.717 45.850 45.100 0.056 0.000 0.632 156 G HN 0.597 nan 8.290 nan 0.000 0.537 157 R N -0.910 119.791 120.500 0.335 0.000 2.407 157 R HA 0.442 4.791 4.340 0.016 0.000 0.303 157 R C -0.132 176.464 176.300 0.494 0.000 0.981 157 R CA -0.840 55.528 56.100 0.446 0.000 0.905 157 R CB 1.092 31.678 30.300 0.478 0.000 1.099 157 R HN 0.214 nan 8.270 nan 0.000 0.459 158 W N 3.597 125.064 121.300 0.279 0.000 2.251 158 W HA 0.063 4.732 4.660 0.016 0.000 0.327 158 W C 0.109 176.519 176.519 -0.182 0.000 1.361 158 W CA 0.079 57.304 57.345 -0.201 0.000 1.234 158 W CB 0.651 29.981 29.460 -0.216 0.000 1.212 158 W HN 0.344 nan 8.180 nan 0.000 0.557 159 V N 5.407 124.509 119.914 -1.353 0.000 2.627 159 V HA 0.532 4.662 4.120 0.016 0.000 0.239 159 V C 1.088 176.161 176.094 -1.702 0.000 1.077 159 V CA 1.094 62.602 62.300 -1.319 0.000 1.103 159 V CB -0.360 30.758 31.823 -1.174 0.000 0.802 159 V HN 0.822 nan 8.190 nan 0.000 0.482 160 G N -1.814 105.746 108.800 -2.067 0.000 2.340 160 G HA2 0.449 4.418 3.960 0.016 0.000 0.299 160 G HA3 0.449 4.418 3.960 0.016 0.000 0.299 160 G C -2.452 171.975 174.900 -0.789 0.000 1.291 160 G CA -0.289 43.994 45.100 -1.361 0.000 0.841 160 G HN -0.009 nan 8.290 nan 0.000 0.500 161 Y N -0.446 119.575 120.300 -0.464 0.000 2.562 161 Y HA 0.726 5.286 4.550 0.016 0.000 0.345 161 Y C 0.008 175.665 175.900 -0.405 0.000 1.045 161 Y CA -0.040 57.722 58.100 -0.563 0.000 1.028 161 Y CB 2.283 40.596 38.460 -0.245 0.000 1.297 161 Y HN 1.223 nan 8.280 nan 0.000 0.463 162 G N 3.572 111.543 108.800 -1.383 0.000 2.718 162 G HA2 0.588 4.557 3.960 0.016 0.000 0.295 162 G HA3 0.588 4.557 3.960 0.016 0.000 0.295 162 G C -2.112 172.354 174.900 -0.723 0.000 1.421 162 G CA -0.898 43.770 45.100 -0.721 0.000 0.902 162 G HN 0.608 nan 8.290 nan 0.000 0.501 163 Q N -0.280 119.345 119.800 -0.291 0.000 2.587 163 Q HA 0.590 4.939 4.340 0.016 0.000 0.293 163 Q C -1.444 174.559 176.000 0.004 0.000 1.083 163 Q CA -0.826 54.914 55.803 -0.105 0.000 0.792 163 Q CB 2.792 31.522 28.738 -0.013 0.000 1.484 163 Q HN 0.666 nan 8.270 nan 0.000 0.446 164 D N -0.167 120.269 120.400 0.061 0.000 4.030 164 D HA -0.095 4.555 4.640 0.016 0.000 0.222 164 D C -0.511 175.849 176.300 0.101 0.000 1.288 164 D CA 0.457 54.508 54.000 0.085 0.000 0.865 164 D CB -0.598 40.237 40.800 0.058 0.000 0.486 164 D HN 0.542 nan 8.370 nan 0.000 0.213 165 S N 3.392 119.165 115.700 0.121 0.000 2.537 165 S HA -0.083 4.397 4.470 0.016 0.000 0.240 165 S C 1.539 176.269 174.600 0.217 0.000 0.981 165 S CA 0.597 58.898 58.200 0.168 0.000 0.948 165 S CB 0.225 63.486 63.200 0.103 0.000 0.759 165 S HN 0.483 nan 8.310 nan 0.000 0.531 166 R N 0.057 120.645 120.500 0.147 0.000 2.508 166 R HA 0.434 4.783 4.340 0.016 0.000 0.300 166 R C -0.383 175.971 176.300 0.090 0.000 0.970 166 R CA 0.050 56.236 56.100 0.143 0.000 1.102 166 R CB 0.183 30.593 30.300 0.184 0.000 1.246 166 R HN 0.329 nan 8.270 nan 0.000 0.539 167 L N 1.698 122.947 121.223 0.043 0.000 2.354 167 L HA 0.507 4.856 4.340 0.016 0.000 0.264 167 L C -2.372 174.471 176.870 -0.046 0.000 1.008 167 L CA -2.334 52.501 54.840 -0.008 0.000 0.819 167 L CB 2.783 44.830 42.059 -0.019 0.000 1.339 167 L HN -0.222 nan 8.230 nan 0.000 0.420 168 P HA 0.078 nan 4.420 nan 0.000 0.268 168 P C -0.993 176.266 177.300 -0.068 0.000 1.204 168 P CA -0.135 62.911 63.100 -0.090 0.000 0.768 168 P CB 0.874 32.480 31.700 -0.156 0.000 0.842 169 S N 2.120 117.837 115.700 0.028 0.000 2.456 169 S HA 0.316 4.795 4.470 0.016 0.000 0.316 169 S C -0.338 174.195 174.600 -0.112 0.000 1.089 169 S CA -0.598 57.574 58.200 -0.047 0.000 1.101 169 S CB 0.839 64.162 63.200 0.206 0.000 0.995 169 S HN 0.369 nan 8.310 nan 0.000 0.468 170 E N 1.919 121.842 120.200 -0.462 0.000 2.212 170 E HA 0.561 4.920 4.350 0.016 0.000 0.268 170 E C -1.439 174.737 176.600 -0.707 0.000 0.902 170 E CA -0.561 55.645 56.400 -0.323 0.000 0.779 170 E CB 1.683 31.297 29.700 -0.143 0.000 1.172 170 E HN 0.429 nan 8.360 nan 0.000 0.409 171 F N 0.731 120.732 119.950 0.085 0.000 2.556 171 F HA 0.182 4.719 4.527 0.016 0.000 0.314 171 F C 0.039 175.863 175.800 0.039 0.000 1.106 171 F CA -1.111 56.906 58.000 0.029 0.000 0.911 171 F CB 1.556 40.543 39.000 -0.021 0.000 1.190 171 F HN 0.272 nan 8.300 nan 0.000 0.448 172 D N 3.306 123.835 120.400 0.215 0.000 2.339 172 D HA 0.179 4.828 4.640 0.016 0.000 0.256 172 D C 0.364 176.828 176.300 0.273 0.000 1.214 172 D CA 0.405 54.520 54.000 0.191 0.000 0.877 172 D CB 0.936 41.829 40.800 0.156 0.000 1.111 172 D HN 0.590 nan 8.370 nan 0.000 0.478 173 L N 2.791 124.173 121.223 0.265 0.000 2.640 173 L HA 0.023 4.373 4.340 0.016 0.000 0.230 173 L C 2.160 179.289 176.870 0.432 0.000 1.123 173 L CA -0.181 54.882 54.840 0.371 0.000 0.900 173 L CB 0.075 42.298 42.059 0.274 0.000 1.146 173 L HN 0.268 nan 8.230 nan 0.000 0.484 174 S N 1.432 117.307 115.700 0.291 0.000 2.372 174 S HA -0.279 4.201 4.470 0.016 0.000 0.227 174 S C 1.976 176.668 174.600 0.154 0.000 1.044 174 S CA 1.822 60.143 58.200 0.201 0.000 1.050 174 S CB -0.222 63.053 63.200 0.124 0.000 0.901 174 S HN 0.549 nan 8.310 nan 0.000 0.447 175 A N -0.760 122.109 122.820 0.082 0.000 2.259 175 A HA 0.362 4.691 4.320 0.016 0.000 0.208 175 A C 1.205 178.618 177.584 -0.285 0.000 1.201 175 A CA 0.306 52.253 52.037 -0.149 0.000 0.824 175 A CB -0.500 18.278 19.000 -0.369 0.000 0.838 175 A HN 0.488 nan 8.150 nan 0.000 0.485 176 F N -1.160 118.836 119.950 0.077 0.000 2.711 176 F HA 0.271 4.808 4.527 0.016 0.000 0.296 176 F C 0.563 176.409 175.800 0.076 0.000 1.096 176 F CA -0.486 57.560 58.000 0.077 0.000 1.280 176 F CB 0.087 39.140 39.000 0.088 0.000 1.060 176 F HN 0.057 nan 8.300 nan 0.000 0.608 177 L N 0.294 121.681 121.223 0.275 0.000 2.469 177 L HA 0.551 4.900 4.340 0.016 0.000 0.253 177 L C 0.276 177.199 176.870 0.089 0.000 1.143 177 L CA -0.808 54.137 54.840 0.176 0.000 0.804 177 L CB 0.131 42.307 42.059 0.194 0.000 1.214 177 L HN 0.014 nan 8.230 nan 0.000 0.476 178 R N -0.154 120.358 120.500 0.020 0.000 2.846 178 R HA 0.905 5.254 4.340 0.016 0.000 0.263 178 R C -1.145 175.136 176.300 -0.030 0.000 1.080 178 R CA -0.861 55.240 56.100 0.001 0.000 0.961 178 R CB 1.183 31.477 30.300 -0.011 0.000 1.231 178 R HN 0.730 nan 8.270 nan 0.000 0.465 179 A N 0.387 123.192 122.820 -0.025 0.000 2.425 179 A HA 0.542 4.871 4.320 0.016 0.000 0.249 179 A C 0.928 178.470 177.584 -0.071 0.000 1.084 179 A CA 0.861 52.874 52.037 -0.041 0.000 0.781 179 A CB -0.507 18.477 19.000 -0.026 0.000 1.019 179 A HN 1.362 nan 8.150 nan 0.000 0.490 180 G N 1.075 109.820 108.800 -0.091 0.000 2.499 180 G HA2 -0.134 3.835 3.960 0.016 0.000 0.232 180 G HA3 -0.134 3.835 3.960 0.016 0.000 0.232 180 G C -0.334 174.466 174.900 -0.167 0.000 1.251 180 G CA -0.049 44.986 45.100 -0.108 0.000 0.917 180 G HN 0.951 nan 8.290 nan 0.000 0.580 181 E N 2.055 122.157 120.200 -0.162 0.000 2.344 181 E HA 0.254 4.613 4.350 0.016 0.000 0.270 181 E C 0.145 176.577 176.600 -0.280 0.000 1.021 181 E CA 0.014 56.281 56.400 -0.222 0.000 0.887 181 E CB 0.495 30.105 29.700 -0.150 0.000 0.997 181 E HN 0.468 nan 8.360 nan 0.000 0.429 182 N N 2.428 120.830 118.700 -0.497 0.000 2.328 182 N HA 0.446 5.196 4.740 0.016 0.000 0.299 182 N C -0.529 174.748 175.510 -0.388 0.000 1.179 182 N CA -0.683 52.054 53.050 -0.522 0.000 0.793 182 N CB 2.470 40.493 38.487 -0.773 0.000 1.366 182 N HN 0.239 nan 8.380 nan 0.000 0.493 183 R N 1.365 121.795 120.500 -0.116 0.000 2.532 183 R HA 0.467 4.817 4.340 0.016 0.000 0.297 183 R C -1.371 175.004 176.300 0.125 0.000 0.984 183 R CA -0.474 55.635 56.100 0.016 0.000 0.884 183 R CB 1.079 31.349 30.300 -0.051 0.000 1.182 183 R HN 0.483 nan 8.270 nan 0.000 0.442 184 L N 3.053 124.388 121.223 0.186 0.000 2.322 184 L HA 0.777 5.127 4.340 0.016 0.000 0.279 184 L C -0.292 176.653 176.870 0.124 0.000 1.036 184 L CA -0.933 54.017 54.840 0.184 0.000 0.807 184 L CB 1.968 44.141 42.059 0.189 0.000 1.226 184 L HN 0.755 nan 8.230 nan 0.000 0.433 185 A N 3.021 125.921 122.820 0.134 0.000 2.353 185 A HA 0.757 5.087 4.320 0.016 0.000 0.299 185 A C -1.024 176.871 177.584 0.519 0.000 1.089 185 A CA -0.469 51.572 52.037 0.006 0.000 0.736 185 A CB 1.515 19.993 19.000 -0.870 0.000 1.195 185 A HN 0.376 nan 8.150 nan 0.000 0.447 186 V N 2.993 123.401 119.914 0.824 0.000 2.407 186 V HA 0.516 4.646 4.120 0.016 0.000 0.291 186 V C -0.084 176.531 176.094 0.870 0.000 1.018 186 V CA -0.343 62.413 62.300 0.760 0.000 0.842 186 V CB 1.431 33.495 31.823 0.402 0.000 0.996 186 V HN 0.962 nan 8.190 nan 0.000 0.426 187 M N 6.074 126.190 119.600 0.861 0.000 2.066 187 M HA 0.594 5.083 4.480 0.016 0.000 0.340 187 M C -1.584 174.961 176.300 0.408 0.000 1.053 187 M CA -0.373 55.240 55.300 0.522 0.000 0.983 187 M CB 1.195 34.132 32.600 0.561 0.000 1.520 187 M HN 0.487 nan 8.290 nan 0.000 0.428 188 V N 6.677 126.793 119.914 0.336 0.000 2.394 188 V HA 0.401 4.530 4.120 0.016 0.000 0.282 188 V C -0.129 176.119 176.094 0.256 0.000 1.031 188 V CA -0.687 61.812 62.300 0.331 0.000 0.881 188 V CB 1.423 33.520 31.823 0.456 0.000 0.982 188 V HN 0.814 nan 8.190 nan 0.000 0.451 189 L N 4.752 126.057 121.223 0.138 0.000 2.292 189 L HA 0.514 4.863 4.340 0.016 0.000 0.284 189 L C 1.594 178.478 176.870 0.022 0.000 1.065 189 L CA -0.289 54.563 54.840 0.020 0.000 0.806 189 L CB 0.926 42.894 42.059 -0.152 0.000 1.175 189 L HN 0.620 nan 8.230 nan 0.000 0.431 190 R N 2.613 123.079 120.500 -0.056 0.000 2.073 190 R HA -0.059 4.291 4.340 0.016 0.000 0.234 190 R C -0.322 175.610 176.300 -0.613 0.000 1.134 190 R CA 1.346 57.175 56.100 -0.451 0.000 0.952 190 R CB 0.179 30.087 30.300 -0.653 0.000 0.850 190 R HN 0.575 nan 8.270 nan 0.000 0.433 191 W N 0.009 121.379 121.300 0.117 0.000 2.627 191 W HA 0.417 5.087 4.660 0.016 0.000 0.339 191 W C -0.292 176.351 176.519 0.207 0.000 1.058 191 W CA -0.716 56.707 57.345 0.130 0.000 1.223 191 W CB 1.764 31.304 29.460 0.134 0.000 1.389 191 W HN 0.057 nan 8.180 nan 0.000 0.541 192 S N -1.258 114.738 115.700 0.494 0.000 2.661 192 S HA 0.151 4.631 4.470 0.016 0.000 0.268 192 S C 0.011 174.874 174.600 0.438 0.000 1.162 192 S CA -0.426 58.072 58.200 0.497 0.000 0.817 192 S CB 0.997 64.458 63.200 0.434 0.000 1.141 192 S HN 0.643 nan 8.310 nan 0.000 0.477 193 D N 0.438 121.091 120.400 0.422 0.000 2.263 193 D HA 0.063 4.712 4.640 0.016 0.000 0.208 193 D C 1.766 178.378 176.300 0.521 0.000 0.971 193 D CA 1.235 55.521 54.000 0.476 0.000 0.867 193 D CB -0.676 40.275 40.800 0.251 0.000 0.929 193 D HN 0.713 nan 8.370 nan 0.000 0.492 194 G N 0.223 109.251 108.800 0.380 0.000 2.432 194 G HA2 -0.262 3.708 3.960 0.016 0.000 0.219 194 G HA3 -0.262 3.708 3.960 0.016 0.000 0.219 194 G C 1.712 176.803 174.900 0.318 0.000 1.135 194 G CA 0.740 46.036 45.100 0.327 0.000 0.767 194 G HN 0.326 nan 8.290 nan 0.000 0.550 195 S N 0.178 116.055 115.700 0.296 0.000 2.400 195 S HA -0.138 4.341 4.470 0.016 0.000 0.232 195 S C 1.923 176.638 174.600 0.191 0.000 1.025 195 S CA 0.911 59.259 58.200 0.247 0.000 0.993 195 S CB -0.464 62.920 63.200 0.307 0.000 0.808 195 S HN 0.541 nan 8.310 nan 0.000 0.478 196 Y N 1.312 121.759 120.300 0.246 0.000 2.384 196 Y HA 0.016 4.575 4.550 0.016 0.000 0.289 196 Y C 1.593 177.603 175.900 0.183 0.000 1.152 196 Y CA 0.676 58.850 58.100 0.122 0.000 1.258 196 Y CB -0.313 38.067 38.460 -0.133 0.000 0.979 196 Y HN 0.207 nan 8.280 nan 0.000 0.549 197 L N -0.220 121.196 121.223 0.322 0.000 2.741 197 L HA 0.155 4.505 4.340 0.016 0.000 0.237 197 L C -0.033 176.970 176.870 0.222 0.000 1.178 197 L CA 0.330 55.313 54.840 0.238 0.000 0.973 197 L CB 0.058 42.264 42.059 0.244 0.000 1.255 197 L HN 0.143 nan 8.230 nan 0.000 0.498 198 E N -0.173 120.168 120.200 0.235 0.000 3.646 198 E HA 0.042 4.402 4.350 0.016 0.000 0.211 198 E C -0.448 176.247 176.600 0.158 0.000 1.034 198 E CA -0.073 56.450 56.400 0.204 0.000 1.341 198 E CB 0.530 30.347 29.700 0.194 0.000 1.202 198 E HN 0.030 nan 8.360 nan 0.000 0.447 199 D N 1.167 121.609 120.400 0.070 0.000 2.538 199 D HA 0.027 4.677 4.640 0.016 0.000 0.234 199 D C -0.173 176.084 176.300 -0.071 0.000 1.191 199 D CA -0.077 53.843 54.000 -0.134 0.000 0.828 199 D CB 0.129 40.593 40.800 -0.560 0.000 0.981 199 D HN 0.071 nan 8.370 nan 0.000 0.490 200 Q N 0.417 120.280 119.800 0.105 0.000 2.432 200 Q HA 0.103 4.453 4.340 0.016 0.000 0.264 200 Q C -0.087 176.011 176.000 0.165 0.000 1.035 200 Q CA 0.118 56.051 55.803 0.217 0.000 0.908 200 Q CB 0.576 29.607 28.738 0.489 0.000 1.280 200 Q HN 0.059 nan 8.270 nan 0.000 0.455 201 D N 3.008 123.529 120.400 0.201 0.000 2.455 201 D HA 0.177 4.826 4.640 0.016 0.000 0.234 201 D C -0.746 175.694 176.300 0.233 0.000 1.224 201 D CA 0.122 54.228 54.000 0.176 0.000 0.999 201 D CB -0.407 40.474 40.800 0.135 0.000 1.072 201 D HN 0.497 nan 8.370 nan 0.000 0.514 202 M N 0.309 120.017 119.600 0.181 0.000 3.147 202 M HA 0.403 4.893 4.480 0.016 0.000 0.276 202 M C -1.346 175.039 176.300 0.141 0.000 1.211 202 M CA -1.135 54.192 55.300 0.046 0.000 0.820 202 M CB 1.012 33.535 32.600 -0.129 0.000 1.621 202 M HN -0.095 nan 8.290 nan 0.000 0.507 203 W N 1.808 123.171 121.300 0.104 0.000 2.158 203 W HA 0.413 5.083 4.660 0.016 0.000 0.339 203 W C 0.220 176.760 176.519 0.034 0.000 1.294 203 W CA 0.078 57.496 57.345 0.121 0.000 1.231 203 W CB 0.336 29.807 29.460 0.018 0.000 1.143 203 W HN 0.302 nan 8.180 nan 0.000 0.571 204 R N 4.093 124.765 120.500 0.286 0.000 2.198 204 R HA 0.433 4.782 4.340 0.016 0.000 0.339 204 R C -0.148 176.161 176.300 0.014 0.000 1.020 204 R CA -0.264 55.925 56.100 0.148 0.000 0.864 204 R CB 0.130 30.588 30.300 0.263 0.000 1.105 204 R HN 0.550 nan 8.270 nan 0.000 0.463 205 M N 0.317 119.813 119.600 -0.173 0.000 2.792 205 M HA 0.535 5.025 4.480 0.016 0.000 0.290 205 M C 0.009 175.958 176.300 -0.585 0.000 1.155 205 M CA -0.863 54.215 55.300 -0.369 0.000 0.781 205 M CB 2.255 34.641 32.600 -0.356 0.000 1.741 205 M HN 0.666 nan 8.290 nan 0.000 0.473 206 S N -1.126 114.098 115.700 -0.794 0.000 2.615 206 S HA 0.913 5.393 4.470 0.016 0.000 0.268 206 S C -0.663 173.385 174.600 -0.921 0.000 1.146 206 S CA -0.117 57.523 58.200 -0.933 0.000 0.818 206 S CB 1.686 64.198 63.200 -1.147 0.000 1.111 206 S HN 1.541 nan 8.310 nan 0.000 0.465 207 G N 0.099 108.606 108.800 -0.487 0.000 2.353 207 G HA2 0.161 4.130 3.960 0.016 0.000 0.615 207 G HA3 0.161 4.130 3.960 0.016 0.000 0.615 207 G C -1.293 173.622 174.900 0.024 0.000 1.280 207 G CA -0.587 44.548 45.100 0.060 0.000 1.000 207 G HN 1.240 nan 8.290 nan 0.000 0.516 208 I N 2.133 122.581 120.570 -0.204 0.000 2.241 208 I HA 0.246 4.426 4.170 0.016 0.000 0.294 208 I C 1.316 177.304 176.117 -0.214 0.000 1.145 208 I CA -0.150 60.913 61.300 -0.395 0.000 1.261 208 I CB -0.276 37.197 38.000 -0.878 0.000 1.475 208 I HN 0.520 nan 8.210 nan 0.000 0.533 209 F N 4.530 124.325 119.950 -0.258 0.000 2.776 209 F HA 0.397 4.934 4.527 0.016 0.000 0.300 209 F C 0.768 176.478 175.800 -0.150 0.000 1.116 209 F CA -0.450 57.431 58.000 -0.199 0.000 1.375 209 F CB 0.109 38.995 39.000 -0.189 0.000 1.109 209 F HN 0.144 nan 8.300 nan 0.000 0.585 210 R N 0.441 120.479 120.500 -0.770 0.000 2.930 210 R HA 0.233 4.583 4.340 0.016 0.000 0.257 210 R C -0.713 175.362 176.300 -0.376 0.000 1.107 210 R CA -1.184 54.591 56.100 -0.542 0.000 0.999 210 R CB 0.606 30.509 30.300 -0.663 0.000 1.209 210 R HN -0.042 nan 8.270 nan 0.000 0.486 211 D N 0.753 120.981 120.400 -0.287 0.000 2.443 211 D HA 0.062 4.711 4.640 0.016 0.000 0.234 211 D C -0.471 175.668 176.300 -0.269 0.000 1.172 211 D CA 0.530 54.397 54.000 -0.221 0.000 0.878 211 D CB 0.632 41.335 40.800 -0.162 0.000 1.204 211 D HN -0.012 nan 8.370 nan 0.000 0.453 212 V N 1.158 120.925 119.914 -0.245 0.000 2.540 212 V HA 0.542 4.671 4.120 0.016 0.000 0.302 212 V C 0.102 176.079 176.094 -0.196 0.000 1.035 212 V CA -0.525 61.581 62.300 -0.324 0.000 0.873 212 V CB 1.623 33.251 31.823 -0.324 0.000 0.992 212 V HN 0.757 nan 8.190 nan 0.000 0.428 213 S N 4.788 120.349 115.700 -0.231 0.000 2.638 213 S HA 0.856 5.336 4.470 0.016 0.000 0.274 213 S C -1.312 173.233 174.600 -0.091 0.000 1.157 213 S CA -0.939 57.192 58.200 -0.116 0.000 0.826 213 S CB 1.905 65.062 63.200 -0.072 0.000 1.139 213 S HN 0.445 nan 8.310 nan 0.000 0.474 214 L N 1.191 122.422 121.223 0.014 0.000 2.365 214 L HA 0.727 5.076 4.340 0.016 0.000 0.273 214 L C -1.475 175.475 176.870 0.133 0.000 1.000 214 L CA -0.897 54.008 54.840 0.107 0.000 0.819 214 L CB 1.816 44.038 42.059 0.272 0.000 1.284 214 L HN 0.685 nan 8.230 nan 0.000 0.418 215 L N 3.016 124.268 121.223 0.049 0.000 2.409 215 L HA 0.451 4.800 4.340 0.016 0.000 0.272 215 L C -0.928 175.817 176.870 -0.208 0.000 0.980 215 L CA -0.112 54.700 54.840 -0.047 0.000 0.826 215 L CB 1.487 43.538 42.059 -0.013 0.000 1.268 215 L HN 0.512 nan 8.230 nan 0.000 0.407 216 H N 5.645 124.396 119.070 -0.531 0.000 2.595 216 H HA 0.479 5.044 4.556 0.016 0.000 0.313 216 H C -1.305 173.751 175.328 -0.453 0.000 1.023 216 H CA -0.581 55.004 56.048 -0.771 0.000 1.218 216 H CB 0.980 29.619 29.762 -1.873 0.000 1.403 216 H HN 0.595 nan 8.280 nan 0.000 0.477 217 K N 5.417 125.357 120.400 -0.767 0.000 2.281 217 K HA 0.394 4.724 4.320 0.016 0.000 0.242 217 K C -2.808 173.463 176.600 -0.549 0.000 0.971 217 K CA -2.056 53.928 56.287 -0.506 0.000 0.834 217 K CB 1.993 34.303 32.500 -0.317 0.000 1.181 217 K HN 0.437 nan 8.250 nan 0.000 0.435 218 P HA 0.016 nan 4.420 nan 0.000 0.272 218 P C 0.768 177.964 177.300 -0.174 0.000 1.240 218 P CA -0.079 62.899 63.100 -0.204 0.000 0.791 218 P CB 0.278 31.915 31.700 -0.104 0.000 0.978 219 T N -2.887 111.597 114.554 -0.116 0.000 2.867 219 T HA -0.041 4.318 4.350 0.016 0.000 0.268 219 T C 0.714 175.362 174.700 -0.087 0.000 1.057 219 T CA 1.228 63.273 62.100 -0.092 0.000 1.136 219 T CB -0.967 67.868 68.868 -0.055 0.000 0.874 219 T HN 0.289 nan 8.240 nan 0.000 0.466 220 T N 3.323 117.832 114.554 -0.076 0.000 2.738 220 T HA 0.478 4.838 4.350 0.016 0.000 0.298 220 T C -0.360 174.285 174.700 -0.092 0.000 0.962 220 T CA -0.725 61.324 62.100 -0.084 0.000 0.972 220 T CB 0.697 69.535 68.868 -0.051 0.000 0.928 220 T HN 0.674 nan 8.240 nan 0.000 0.474 221 Q N 2.461 122.191 119.800 -0.115 0.000 2.565 221 Q HA 0.584 4.933 4.340 0.016 0.000 0.294 221 Q C -1.186 174.742 176.000 -0.120 0.000 1.005 221 Q CA -1.176 54.551 55.803 -0.126 0.000 0.771 221 Q CB 1.294 29.933 28.738 -0.164 0.000 1.486 221 Q HN 0.439 nan 8.270 nan 0.000 0.422 222 I N 2.700 123.178 120.570 -0.154 0.000 2.421 222 I HA -0.005 4.175 4.170 0.016 0.000 0.291 222 I C 0.732 176.732 176.117 -0.195 0.000 1.089 222 I CA 0.148 61.366 61.300 -0.137 0.000 1.354 222 I CB 0.836 38.719 38.000 -0.194 0.000 1.413 222 I HN 0.849 nan 8.210 nan 0.000 0.513 223 S N 2.692 118.388 115.700 -0.006 0.000 2.511 223 S HA 0.198 4.678 4.470 0.016 0.000 0.214 223 S C 0.178 174.971 174.600 0.321 0.000 0.997 223 S CA -0.290 57.974 58.200 0.108 0.000 0.908 223 S CB 0.259 63.484 63.200 0.042 0.000 0.803 223 S HN 0.696 nan 8.310 nan 0.000 0.504 224 D N -0.276 120.301 120.400 0.294 0.000 2.728 224 D HA 0.520 5.170 4.640 0.016 0.000 0.249 224 D C -1.868 174.576 176.300 0.240 0.000 1.225 224 D CA -0.722 53.453 54.000 0.292 0.000 0.748 224 D CB 1.511 42.384 40.800 0.123 0.000 1.326 224 D HN 0.191 nan 8.370 nan 0.000 0.426 225 F N -0.430 119.556 119.950 0.060 0.000 2.672 225 F HA 0.621 5.158 4.527 0.016 0.000 0.311 225 F C -1.741 174.094 175.800 0.058 0.000 1.113 225 F CA -0.716 57.245 58.000 -0.066 0.000 0.996 225 F CB 1.122 40.141 39.000 0.030 0.000 1.286 225 F HN 0.295 nan 8.300 nan 0.000 0.441 226 H N 1.938 121.081 119.070 0.122 0.000 2.600 226 H HA 0.767 5.332 4.556 0.016 0.000 0.357 226 H C -1.360 174.021 175.328 0.087 0.000 1.106 226 H CA -1.528 54.530 56.048 0.016 0.000 1.193 226 H CB 2.613 32.363 29.762 -0.020 0.000 1.594 226 H HN 0.630 nan 8.280 nan 0.000 0.526 227 V N 2.174 122.195 119.914 0.178 0.000 2.495 227 V HA 0.691 4.821 4.120 0.016 0.000 0.298 227 V C -0.258 175.836 176.094 0.000 0.000 1.031 227 V CA -0.537 61.818 62.300 0.091 0.000 0.871 227 V CB 1.329 33.202 31.823 0.082 0.000 0.988 227 V HN 0.942 nan 8.190 nan 0.000 0.432 228 A N 3.280 126.077 122.820 -0.039 0.000 2.413 228 A HA 0.966 5.296 4.320 0.016 0.000 0.307 228 A C -0.202 177.280 177.584 -0.170 0.000 1.087 228 A CA -0.544 51.445 52.037 -0.079 0.000 0.750 228 A CB 2.050 21.026 19.000 -0.040 0.000 1.296 228 A HN 0.905 nan 8.150 nan 0.000 0.423 229 T N -0.470 113.956 114.554 -0.212 0.000 2.881 229 T HA 0.712 5.072 4.350 0.016 0.000 0.291 229 T C -0.477 173.997 174.700 -0.376 0.000 0.990 229 T CA -0.813 61.061 62.100 -0.375 0.000 0.976 229 T CB 1.068 69.615 68.868 -0.535 0.000 0.970 229 T HN 1.026 nan 8.240 nan 0.000 0.438 230 R N 1.755 121.948 120.500 -0.512 0.000 2.854 230 R HA 0.865 5.215 4.340 0.016 0.000 0.271 230 R C -1.686 174.211 176.300 -0.672 0.000 0.996 230 R CA -0.958 54.930 56.100 -0.353 0.000 0.961 230 R CB 1.360 31.596 30.300 -0.107 0.000 1.182 230 R HN 0.479 nan 8.270 nan 0.000 0.479 231 F N 0.061 120.015 119.950 0.006 0.000 2.664 231 F HA 0.384 4.920 4.527 0.015 0.000 0.329 231 F C 0.209 175.896 175.800 -0.187 0.000 1.090 231 F CA -1.023 56.935 58.000 -0.070 0.000 0.978 231 F CB 1.274 40.173 39.000 -0.169 0.000 1.378 231 F HN 0.714 nan 8.300 nan 0.000 0.495 232 N N 0.044 118.741 118.700 -0.004 0.000 2.418 232 N HA 0.064 4.814 4.740 0.016 0.000 0.283 232 N C 0.493 175.844 175.510 -0.266 0.000 1.267 232 N CA -0.005 52.988 53.050 -0.094 0.000 0.975 232 N CB -0.030 38.428 38.487 -0.047 0.000 1.167 232 N HN 0.680 nan 8.380 nan 0.000 0.581 233 D N -0.767 119.529 120.400 -0.173 0.000 2.133 233 D HA -0.274 4.376 4.640 0.016 0.000 0.192 233 D C 0.497 176.665 176.300 -0.220 0.000 1.001 233 D CA 1.929 55.825 54.000 -0.172 0.000 0.844 233 D CB -0.663 40.102 40.800 -0.058 0.000 0.944 233 D HN 0.753 nan 8.370 nan 0.000 0.447 234 D N -1.495 118.829 120.400 -0.127 0.000 2.463 234 D HA 0.011 4.661 4.640 0.016 0.000 0.224 234 D C 0.064 176.464 176.300 0.166 0.000 1.174 234 D CA -0.900 53.129 54.000 0.049 0.000 0.829 234 D CB -1.032 39.827 40.800 0.098 0.000 0.993 234 D HN 0.233 nan 8.370 nan 0.000 0.497 235 F N 0.162 120.170 119.950 0.096 0.000 3.034 235 F HA -0.288 4.247 4.527 0.014 0.000 0.286 235 F C 1.613 177.496 175.800 0.138 0.000 0.804 235 F CA 0.843 58.909 58.000 0.110 0.000 1.161 235 F CB -2.576 36.378 39.000 -0.075 0.000 1.317 235 F HN 0.227 nan 8.300 nan 0.000 0.453 236 S N -1.143 114.660 115.700 0.172 0.000 2.548 236 S HA 0.313 4.792 4.470 0.016 0.000 0.215 236 S C 0.615 175.276 174.600 0.102 0.000 0.976 236 S CA -0.113 58.165 58.200 0.130 0.000 0.908 236 S CB 0.398 63.651 63.200 0.088 0.000 0.781 236 S HN 0.466 nan 8.310 nan 0.000 0.519 237 R N 0.106 120.677 120.500 0.118 0.000 2.725 237 R HA 0.823 5.172 4.340 0.016 0.000 0.277 237 R C -1.333 175.022 176.300 0.092 0.000 0.987 237 R CA -0.486 55.655 56.100 0.068 0.000 0.901 237 R CB 2.158 32.467 30.300 0.016 0.000 1.207 237 R HN 0.215 nan 8.270 nan 0.000 0.463 238 A N 1.377 124.188 122.820 -0.015 0.000 2.515 238 A HA 0.743 5.073 4.320 0.016 0.000 0.296 238 A C -1.310 176.203 177.584 -0.118 0.000 1.094 238 A CA -0.699 51.251 52.037 -0.145 0.000 0.718 238 A CB 2.092 21.012 19.000 -0.132 0.000 1.307 238 A HN 0.333 nan 8.150 nan 0.000 0.408 239 V N 1.665 121.474 119.914 -0.175 0.000 2.444 239 V HA 0.449 4.579 4.120 0.016 0.000 0.294 239 V C -0.578 175.444 176.094 -0.120 0.000 1.022 239 V CA -0.338 61.895 62.300 -0.111 0.000 0.850 239 V CB 1.382 33.144 31.823 -0.102 0.000 0.992 239 V HN 0.803 nan 8.190 nan 0.000 0.426 240 L N 5.070 126.262 121.223 -0.052 0.000 2.282 240 L HA 0.610 4.959 4.340 0.016 0.000 0.288 240 L C -0.127 176.700 176.870 -0.071 0.000 1.033 240 L CA 0.030 54.817 54.840 -0.087 0.000 0.807 240 L CB 0.986 43.029 42.059 -0.027 0.000 1.209 240 L HN 0.658 nan 8.230 nan 0.000 0.423 241 E N 4.714 124.869 120.200 -0.075 0.000 2.176 241 E HA 0.627 4.987 4.350 0.016 0.000 0.267 241 E C -1.112 175.478 176.600 -0.016 0.000 0.893 241 E CA -0.823 55.551 56.400 -0.043 0.000 0.761 241 E CB 2.080 31.758 29.700 -0.037 0.000 1.133 241 E HN 0.668 nan 8.360 nan 0.000 0.409 242 A N 3.423 126.239 122.820 -0.006 0.000 2.332 242 A HA 0.300 4.629 4.320 0.016 0.000 0.300 242 A C -0.585 177.003 177.584 0.006 0.000 1.153 242 A CA -0.661 51.393 52.037 0.030 0.000 0.764 242 A CB 0.946 19.961 19.000 0.025 0.000 1.174 242 A HN 0.685 nan 8.150 nan 0.000 0.467 243 E N 2.660 122.868 120.200 0.013 0.000 2.174 243 E HA 0.537 4.896 4.350 0.016 0.000 0.282 243 E C -1.344 175.217 176.600 -0.066 0.000 0.992 243 E CA -0.376 55.994 56.400 -0.050 0.000 0.803 243 E CB 1.140 30.791 29.700 -0.081 0.000 1.090 243 E HN 0.366 nan 8.360 nan 0.000 0.396 244 V N 4.884 124.773 119.914 -0.041 0.000 2.495 244 V HA 0.287 4.417 4.120 0.016 0.000 0.298 244 V C -0.393 175.757 176.094 0.093 0.000 1.031 244 V CA -0.765 61.554 62.300 0.032 0.000 0.871 244 V CB 1.629 33.453 31.823 0.002 0.000 0.988 244 V HN 0.753 nan 8.190 nan 0.000 0.432 245 Q N 4.141 123.999 119.800 0.098 0.000 2.345 245 Q HA 0.816 5.166 4.340 0.016 0.000 0.268 245 Q C -0.736 175.329 176.000 0.108 0.000 1.054 245 Q CA -0.854 55.011 55.803 0.103 0.000 0.835 245 Q CB 2.703 31.435 28.738 -0.009 0.000 1.339 245 Q HN 0.824 nan 8.270 nan 0.000 0.447 246 M N -0.823 118.775 119.600 -0.003 0.000 2.761 246 M HA 0.790 5.280 4.480 0.016 0.000 0.305 246 M C -1.333 174.869 176.300 -0.164 0.000 1.235 246 M CA -0.433 54.780 55.300 -0.144 0.000 0.850 246 M CB 1.682 34.036 32.600 -0.410 0.000 1.744 246 M HN 0.546 nan 8.290 nan 0.000 0.480 247 C N 0.425 119.634 119.300 -0.151 0.000 2.889 247 C HA 1.032 5.502 4.460 0.016 0.000 0.307 247 C C 0.449 175.354 174.990 -0.142 0.000 1.251 247 C CA 0.499 59.444 59.018 -0.121 0.000 1.593 247 C CB 1.198 28.893 27.740 -0.076 0.000 2.104 247 C HN 1.440 nan 8.230 nan 0.000 0.476 248 G N 1.592 110.320 108.800 -0.120 0.000 2.422 248 G HA2 0.072 4.041 3.960 0.016 0.000 0.607 248 G HA3 0.072 4.041 3.960 0.016 0.000 0.607 248 G C -1.135 173.689 174.900 -0.127 0.000 1.270 248 G CA -0.447 44.586 45.100 -0.112 0.000 0.992 248 G HN 0.956 nan 8.290 nan 0.000 0.499 249 E N -0.280 119.855 120.200 -0.109 0.000 2.259 249 E HA 0.492 4.852 4.350 0.016 0.000 0.281 249 E C 0.542 177.046 176.600 -0.160 0.000 1.037 249 E CA -0.598 55.737 56.400 -0.109 0.000 0.854 249 E CB 0.419 30.079 29.700 -0.068 0.000 1.051 249 E HN 0.489 nan 8.360 nan 0.000 0.409 250 L N 5.304 126.424 121.223 -0.172 0.000 2.410 250 L HA 0.277 4.627 4.340 0.016 0.000 0.273 250 L C 0.360 177.101 176.870 -0.215 0.000 1.144 250 L CA -0.054 54.658 54.840 -0.214 0.000 0.863 250 L CB 0.314 42.265 42.059 -0.181 0.000 1.140 250 L HN 0.470 nan 8.230 nan 0.000 0.463 251 R N 2.094 122.406 120.500 -0.314 0.000 2.628 251 R HA 0.186 4.535 4.340 0.016 0.000 0.288 251 R C -0.132 175.873 176.300 -0.493 0.000 0.980 251 R CA -0.764 55.041 56.100 -0.492 0.000 0.891 251 R CB 1.784 31.518 30.300 -0.943 0.000 1.188 251 R HN 0.520 nan 8.270 nan 0.000 0.450 252 D N 1.376 121.575 120.400 -0.335 0.000 2.309 252 D HA -0.150 4.499 4.640 0.016 0.000 0.212 252 D C 1.380 177.594 176.300 -0.144 0.000 0.968 252 D CA 1.474 55.369 54.000 -0.174 0.000 0.882 252 D CB 0.122 40.886 40.800 -0.060 0.000 0.918 252 D HN 0.587 nan 8.370 nan 0.000 0.503 253 Y N -0.369 119.943 120.300 0.021 0.000 2.511 253 Y HA 0.277 4.837 4.550 0.016 0.000 0.279 253 Y C 0.864 176.771 175.900 0.011 0.000 1.157 253 Y CA -0.561 57.550 58.100 0.017 0.000 1.300 253 Y CB -0.893 37.578 38.460 0.018 0.000 1.052 253 Y HN -0.211 nan 8.280 nan 0.000 0.529 254 L N 2.573 123.733 121.223 -0.105 0.000 2.461 254 L HA 0.276 4.626 4.340 0.016 0.000 0.272 254 L C 0.310 177.187 176.870 0.012 0.000 1.197 254 L CA 0.055 54.929 54.840 0.056 0.000 0.836 254 L CB 0.346 42.444 42.059 0.066 0.000 1.105 254 L HN 0.167 nan 8.230 nan 0.000 0.477 255 R N 1.557 121.966 120.500 -0.151 0.000 2.764 255 R HA 0.718 5.067 4.340 0.016 0.000 0.270 255 R C -1.547 174.431 176.300 -0.535 0.000 1.014 255 R CA -0.831 55.038 56.100 -0.384 0.000 0.904 255 R CB 2.098 32.092 30.300 -0.511 0.000 1.236 255 R HN 0.284 nan 8.270 nan 0.000 0.466 256 V N 0.687 120.321 119.914 -0.467 0.000 2.656 256 V HA 0.534 4.664 4.120 0.016 0.000 0.307 256 V C -0.449 175.589 176.094 -0.094 0.000 1.051 256 V CA -0.545 61.576 62.300 -0.298 0.000 0.893 256 V CB 2.359 33.958 31.823 -0.372 0.000 0.999 256 V HN 0.733 nan 8.190 nan 0.000 0.426 257 T N 3.714 118.321 114.554 0.088 0.000 2.841 257 T HA 0.596 4.955 4.350 0.016 0.000 0.285 257 T C -0.805 173.911 174.700 0.027 0.000 0.991 257 T CA -0.345 61.823 62.100 0.113 0.000 0.966 257 T CB 1.673 70.657 68.868 0.194 0.000 0.962 257 T HN 0.340 nan 8.240 nan 0.000 0.438 258 V N 3.297 123.205 119.914 -0.009 0.000 2.409 258 V HA 0.567 4.696 4.120 0.016 0.000 0.291 258 V C -0.136 175.957 176.094 -0.003 0.000 1.020 258 V CA -0.582 61.706 62.300 -0.020 0.000 0.848 258 V CB 1.868 33.666 31.823 -0.041 0.000 0.990 258 V HN 0.928 nan 8.190 nan 0.000 0.430 259 S N 4.902 120.629 115.700 0.044 0.000 2.482 259 S HA 0.744 5.223 4.470 0.016 0.000 0.303 259 S C -0.811 173.833 174.600 0.073 0.000 1.091 259 S CA -0.446 57.770 58.200 0.026 0.000 1.057 259 S CB 1.694 65.012 63.200 0.195 0.000 1.031 259 S HN 0.554 nan 8.310 nan 0.000 0.485 260 L N 3.375 124.549 121.223 -0.083 0.000 2.333 260 L HA 0.734 5.084 4.340 0.016 0.000 0.280 260 L C -1.932 174.923 176.870 -0.025 0.000 1.004 260 L CA -0.104 54.777 54.840 0.068 0.000 0.820 260 L CB 0.693 42.785 42.059 0.054 0.000 1.247 260 L HN 0.718 nan 8.230 nan 0.000 0.416 261 W N 3.242 124.647 121.300 0.175 0.000 2.844 261 W HA 0.586 5.256 4.660 0.016 0.000 0.340 261 W C -0.611 176.018 176.519 0.183 0.000 1.093 261 W CA -0.467 56.965 57.345 0.145 0.000 1.212 261 W CB 1.499 30.994 29.460 0.057 0.000 1.422 261 W HN 0.352 nan 8.180 nan 0.000 0.515 262 Q N 2.062 122.056 119.800 0.324 0.000 2.413 262 Q HA 0.467 4.817 4.340 0.016 0.000 0.258 262 Q C 0.717 176.780 176.000 0.105 0.000 1.037 262 Q CA 0.496 56.329 55.803 0.049 0.000 0.764 262 Q CB 0.809 29.489 28.738 -0.097 0.000 1.217 262 Q HN 0.775 nan 8.270 nan 0.000 0.490 263 G N 2.953 111.802 108.800 0.081 0.000 2.583 263 G HA2 -0.370 3.599 3.960 0.016 0.000 0.292 263 G HA3 -0.370 3.599 3.960 0.016 0.000 0.292 263 G C 0.363 175.349 174.900 0.144 0.000 1.203 263 G CA 0.456 45.594 45.100 0.063 0.000 0.987 263 G HN 0.731 nan 8.290 nan 0.000 0.554 264 E N 0.724 121.005 120.200 0.136 0.000 2.489 264 E HA 0.158 4.518 4.350 0.016 0.000 0.193 264 E C 0.401 177.248 176.600 0.412 0.000 1.057 264 E CA 0.597 57.123 56.400 0.211 0.000 0.866 264 E CB 0.190 29.942 29.700 0.086 0.000 0.916 264 E HN 0.334 nan 8.360 nan 0.000 0.500 265 T N 1.643 116.387 114.554 0.317 0.000 2.767 265 T HA 0.113 4.473 4.350 0.016 0.000 0.288 265 T C -0.167 174.541 174.700 0.012 0.000 0.963 265 T CA -0.360 61.835 62.100 0.159 0.000 1.019 265 T CB 1.619 70.525 68.868 0.062 0.000 0.923 265 T HN 0.037 nan 8.240 nan 0.000 0.468 266 Q N 2.571 122.069 119.800 -0.503 0.000 2.288 266 Q HA 0.316 4.666 4.340 0.016 0.000 0.258 266 Q C 0.882 176.597 176.000 -0.474 0.000 0.957 266 Q CA -0.461 54.670 55.803 -1.120 0.000 0.919 266 Q CB 0.712 28.559 28.738 -1.484 0.000 1.185 266 Q HN 0.678 nan 8.270 nan 0.000 0.408 267 V N 0.725 120.448 119.914 -0.318 0.000 3.565 267 V HA 0.645 4.775 4.120 0.016 0.000 0.260 267 V C 0.194 176.192 176.094 -0.160 0.000 1.231 267 V CA 0.611 62.821 62.300 -0.150 0.000 1.100 267 V CB 0.130 31.956 31.823 0.005 0.000 0.807 267 V HN 0.642 nan 8.190 nan 0.000 0.454 268 A N -0.765 121.932 122.820 -0.206 0.000 2.608 268 A HA 0.828 5.157 4.320 0.016 0.000 0.292 268 A C -0.700 176.784 177.584 -0.168 0.000 1.066 268 A CA 0.220 52.165 52.037 -0.154 0.000 0.676 268 A CB 1.590 20.527 19.000 -0.106 0.000 1.277 268 A HN 0.666 nan 8.150 nan 0.000 0.413 269 S N -0.959 114.668 115.700 -0.120 0.000 2.543 269 S HA 0.774 5.253 4.470 0.016 0.000 0.274 269 S C -0.599 173.962 174.600 -0.065 0.000 1.149 269 S CA 0.212 58.353 58.200 -0.098 0.000 0.866 269 S CB 1.627 64.756 63.200 -0.117 0.000 1.111 269 S HN 2.303 nan 8.310 nan 0.000 0.457 270 G N 1.585 110.357 108.800 -0.047 0.000 2.667 270 G HA2 0.681 4.650 3.960 0.016 0.000 0.298 270 G HA3 0.681 4.650 3.960 0.016 0.000 0.298 270 G C -1.373 173.511 174.900 -0.028 0.000 1.377 270 G CA -0.419 44.656 45.100 -0.041 0.000 0.964 270 G HN 0.718 nan 8.290 nan 0.000 0.493 271 T N -0.397 114.143 114.554 -0.025 0.000 2.909 271 T HA 0.880 5.240 4.350 0.016 0.000 0.299 271 T C -0.390 174.276 174.700 -0.056 0.000 1.073 271 T CA 0.035 62.128 62.100 -0.013 0.000 0.999 271 T CB 1.908 70.803 68.868 0.046 0.000 1.098 271 T HN 1.729 nan 8.240 nan 0.000 0.477 272 A N 2.743 125.496 122.820 -0.111 0.000 2.586 272 A HA 0.879 5.208 4.320 0.016 0.000 0.291 272 A C -3.212 174.236 177.584 -0.227 0.000 1.062 272 A CA -1.403 50.551 52.037 -0.138 0.000 0.666 272 A CB 1.044 19.959 19.000 -0.141 0.000 1.281 272 A HN 0.530 nan 8.150 nan 0.000 0.421 273 P HA 0.586 nan 4.420 nan 0.000 0.281 273 P C -0.540 176.621 177.300 -0.231 0.000 1.264 273 P CA -0.348 62.653 63.100 -0.164 0.000 0.824 273 P CB 0.358 32.029 31.700 -0.048 0.000 1.092 274 F N 0.061 119.969 119.950 -0.071 0.000 2.539 274 F HA 0.419 4.956 4.527 0.016 0.000 0.340 274 F C 1.579 177.360 175.800 -0.033 0.000 1.185 274 F CA 1.793 59.761 58.000 -0.052 0.000 1.333 274 F CB -0.030 38.934 39.000 -0.060 0.000 1.152 274 F HN 0.590 nan 8.300 nan 0.000 0.602 275 G N 1.534 110.453 108.800 0.198 0.000 2.594 275 G HA2 0.332 4.302 3.960 0.016 0.000 0.422 275 G HA3 0.332 4.302 3.960 0.016 0.000 0.422 275 G C -0.383 174.565 174.900 0.079 0.000 1.190 275 G CA -0.732 44.438 45.100 0.117 0.000 1.234 275 G HN 1.052 nan 8.290 nan 0.000 0.584 276 G N 0.800 109.670 108.800 0.117 0.000 2.621 276 G HA2 0.638 4.608 3.960 0.016 0.000 0.271 276 G HA3 0.638 4.608 3.960 0.016 0.000 0.271 276 G C 0.491 175.433 174.900 0.070 0.000 1.236 276 G CA -0.191 44.967 45.100 0.096 0.000 0.958 276 G HN 0.834 nan 8.290 nan 0.000 0.512 277 E N -0.430 119.804 120.200 0.057 0.000 2.425 277 E HA 0.034 4.393 4.350 0.016 0.000 0.258 277 E C 0.066 176.689 176.600 0.039 0.000 1.151 277 E CA -0.301 56.121 56.400 0.037 0.000 0.958 277 E CB 0.938 30.657 29.700 0.032 0.000 0.968 277 E HN 0.297 nan 8.360 nan 0.000 0.451 278 I N 1.545 122.125 120.570 0.018 0.000 2.683 278 I HA -0.146 4.034 4.170 0.016 0.000 0.286 278 I C 1.464 177.588 176.117 0.011 0.000 1.175 278 I CA 0.430 61.732 61.300 0.004 0.000 1.429 278 I CB 0.211 38.209 38.000 -0.004 0.000 1.371 278 I HN 0.581 nan 8.210 nan 0.000 0.569 279 I N 2.562 123.131 120.570 -0.002 0.000 4.032 279 I HA 0.302 4.481 4.170 0.016 0.000 0.313 279 I C 0.001 176.116 176.117 -0.003 0.000 1.272 279 I CA 0.484 61.793 61.300 0.015 0.000 1.307 279 I CB 0.382 38.415 38.000 0.056 0.000 1.155 279 I HN 0.655 nan 8.210 nan 0.000 0.431 280 D N -0.736 119.647 120.400 -0.027 0.000 2.946 280 D HA 0.194 4.844 4.640 0.016 0.000 0.337 280 D C 0.327 176.609 176.300 -0.030 0.000 1.332 280 D CA -0.437 53.549 54.000 -0.024 0.000 0.935 280 D CB 0.217 41.002 40.800 -0.025 0.000 1.440 280 D HN -0.093 nan 8.370 nan 0.000 0.540 281 E N -1.040 119.144 120.200 -0.025 0.000 2.333 281 E HA -0.014 4.346 4.350 0.016 0.000 0.198 281 E C 1.171 177.751 176.600 -0.033 0.000 1.007 281 E CA 0.853 57.238 56.400 -0.024 0.000 0.845 281 E CB -0.034 29.655 29.700 -0.018 0.000 0.766 281 E HN 0.210 nan 8.360 nan 0.000 0.507 282 R N -0.251 120.220 120.500 -0.048 0.000 2.393 282 R HA 0.324 4.673 4.340 0.016 0.000 0.244 282 R C 0.725 176.980 176.300 -0.075 0.000 0.920 282 R CA 0.638 56.703 56.100 -0.058 0.000 1.076 282 R CB 0.790 31.050 30.300 -0.067 0.000 1.119 282 R HN 0.195 nan 8.270 nan 0.000 0.524 283 G N -0.482 108.275 108.800 -0.072 0.000 2.341 283 G HA2 -0.071 3.899 3.960 0.016 0.000 0.196 283 G HA3 -0.071 3.899 3.960 0.016 0.000 0.196 283 G C -0.375 174.466 174.900 -0.099 0.000 1.231 283 G CA -0.631 44.424 45.100 -0.075 0.000 1.155 283 G HN 0.436 nan 8.290 nan 0.000 0.529 284 G N -1.984 106.751 108.800 -0.109 0.000 3.105 284 G HA2 0.648 4.618 3.960 0.016 0.000 0.277 284 G HA3 0.648 4.618 3.960 0.016 0.000 0.277 284 G C -1.696 173.093 174.900 -0.185 0.000 1.375 284 G CA -0.737 44.303 45.100 -0.101 0.000 0.962 284 G HN 0.767 nan 8.290 nan 0.000 0.541 285 Y N 0.939 121.251 120.300 0.020 0.000 2.425 285 Y HA 0.435 4.994 4.550 0.015 0.000 0.347 285 Y C 1.401 177.325 175.900 0.040 0.000 0.976 285 Y CA 0.119 58.235 58.100 0.026 0.000 1.190 285 Y CB 1.823 40.305 38.460 0.036 0.000 1.136 285 Y HN 0.559 nan 8.280 nan 0.000 0.517 286 A N 1.719 124.609 122.820 0.118 0.000 2.119 286 A HA -0.130 4.200 4.320 0.016 0.000 0.217 286 A C 1.333 178.987 177.584 0.117 0.000 1.153 286 A CA 1.286 53.380 52.037 0.095 0.000 0.692 286 A CB -0.279 18.734 19.000 0.022 0.000 0.799 286 A HN 0.793 nan 8.150 nan 0.000 0.458 287 D N -0.624 119.845 120.400 0.115 0.000 2.336 287 D HA 0.143 4.793 4.640 0.016 0.000 0.228 287 D C 0.441 176.844 176.300 0.171 0.000 1.120 287 D CA 0.013 54.008 54.000 -0.008 0.000 0.839 287 D CB -0.075 40.698 40.800 -0.045 0.000 0.932 287 D HN 0.409 nan 8.370 nan 0.000 0.509 288 R N -0.876 119.848 120.500 0.374 0.000 2.774 288 R HA 0.730 5.080 4.340 0.016 0.000 0.272 288 R C -1.653 174.801 176.300 0.256 0.000 1.000 288 R CA -1.129 55.173 56.100 0.338 0.000 0.906 288 R CB 3.033 33.389 30.300 0.094 0.000 1.227 288 R HN -0.018 nan 8.270 nan 0.000 0.468 289 V N 0.262 120.200 119.914 0.040 0.000 3.048 289 V HA 0.579 4.708 4.120 0.016 0.000 0.303 289 V C -1.588 174.442 176.094 -0.107 0.000 1.214 289 V CA -0.229 61.995 62.300 -0.128 0.000 0.984 289 V CB 2.722 34.287 31.823 -0.430 0.000 1.054 289 V HN 0.804 nan 8.190 nan 0.000 0.430 290 T N 7.448 121.952 114.554 -0.084 0.000 2.809 290 T HA 0.593 4.953 4.350 0.016 0.000 0.284 290 T C -1.037 173.621 174.700 -0.069 0.000 0.992 290 T CA -0.392 61.672 62.100 -0.061 0.000 0.957 290 T CB 1.082 69.931 68.868 -0.031 0.000 0.942 290 T HN 0.466 nan 8.240 nan 0.000 0.439 291 L N 3.523 124.705 121.223 -0.068 0.000 2.322 291 L HA 0.591 4.940 4.340 0.016 0.000 0.279 291 L C 0.447 177.288 176.870 -0.048 0.000 1.036 291 L CA -0.420 54.381 54.840 -0.064 0.000 0.807 291 L CB 1.358 43.377 42.059 -0.066 0.000 1.226 291 L HN 0.548 nan 8.230 nan 0.000 0.433 292 R N 3.202 123.674 120.500 -0.046 0.000 2.480 292 R HA 0.686 5.035 4.340 0.016 0.000 0.306 292 R C -1.395 174.878 176.300 -0.044 0.000 0.958 292 R CA -0.878 55.196 56.100 -0.044 0.000 0.861 292 R CB 1.996 32.271 30.300 -0.042 0.000 1.171 292 R HN 0.237 nan 8.270 nan 0.000 0.445 293 L N 2.759 123.956 121.223 -0.042 0.000 2.356 293 L HA 0.375 4.724 4.340 0.016 0.000 0.277 293 L C -0.419 176.424 176.870 -0.045 0.000 0.996 293 L CA -0.580 54.234 54.840 -0.043 0.000 0.822 293 L CB 1.830 43.867 42.059 -0.036 0.000 1.256 293 L HN 0.534 nan 8.230 nan 0.000 0.413 294 N N 1.618 120.286 118.700 -0.053 0.000 2.514 294 N HA 0.590 5.339 4.740 0.016 0.000 0.277 294 N C -1.103 174.361 175.510 -0.078 0.000 1.126 294 N CA -0.447 52.568 53.050 -0.059 0.000 0.978 294 N CB 1.571 40.027 38.487 -0.053 0.000 1.106 294 N HN 0.238 nan 8.380 nan 0.000 0.461 295 V N 1.748 121.602 119.914 -0.100 0.000 2.447 295 V HA 0.221 4.350 4.120 0.016 0.000 0.292 295 V C -0.452 175.562 176.094 -0.133 0.000 1.021 295 V CA -0.859 61.340 62.300 -0.169 0.000 0.850 295 V CB 1.314 32.922 31.823 -0.358 0.000 1.005 295 V HN 0.593 nan 8.190 nan 0.000 0.426 296 E N 2.926 123.072 120.200 -0.090 0.000 2.301 296 E HA 0.291 4.651 4.350 0.016 0.000 0.275 296 E C 0.270 176.848 176.600 -0.036 0.000 1.030 296 E CA -0.363 56.009 56.400 -0.047 0.000 0.852 296 E CB 0.575 30.257 29.700 -0.029 0.000 1.060 296 E HN 0.747 nan 8.360 nan 0.000 0.401 297 N N 0.973 119.674 118.700 0.002 0.000 2.705 297 N HA -0.147 4.602 4.740 0.016 0.000 0.255 297 N C -2.471 173.047 175.510 0.012 0.000 1.008 297 N CA 0.134 53.200 53.050 0.027 0.000 0.742 297 N CB -1.072 37.430 38.487 0.026 0.000 0.906 297 N HN 0.335 nan 8.380 nan 0.000 0.541 298 P HA -0.023 nan 4.420 nan 0.000 0.267 298 P C -0.386 176.956 177.300 0.071 0.000 1.200 298 P CA 0.425 63.444 63.100 -0.133 0.000 0.772 298 P CB 0.723 32.192 31.700 -0.385 0.000 0.855 299 K N 2.634 123.154 120.400 0.199 0.000 2.312 299 K HA 0.299 4.628 4.320 0.016 0.000 0.287 299 K C 0.190 176.943 176.600 0.256 0.000 1.062 299 K CA -0.432 55.955 56.287 0.166 0.000 0.934 299 K CB 0.326 32.876 32.500 0.082 0.000 1.027 299 K HN 0.439 nan 8.250 nan 0.000 0.478 300 L N 2.467 123.780 121.223 0.149 0.000 2.375 300 L HA 0.320 4.669 4.340 0.016 0.000 0.271 300 L C 0.044 177.007 176.870 0.156 0.000 1.107 300 L CA -0.880 54.057 54.840 0.162 0.000 0.806 300 L CB 0.413 42.418 42.059 -0.090 0.000 1.146 300 L HN 0.596 nan 8.230 nan 0.000 0.447 301 W N 3.076 124.420 121.300 0.073 0.000 2.376 301 W HA 0.499 5.167 4.660 0.014 0.000 0.322 301 W C 0.000 176.477 176.519 -0.070 0.000 1.160 301 W CA 0.141 57.508 57.345 0.037 0.000 1.218 301 W CB 1.283 30.816 29.460 0.121 0.000 1.205 301 W HN 0.643 nan 8.180 nan 0.000 0.559 302 S N 2.765 117.964 115.700 -0.835 0.000 2.643 302 S HA 0.634 5.114 4.470 0.016 0.000 0.270 302 S C 0.009 173.865 174.600 -1.240 0.000 1.166 302 S CA -0.379 57.400 58.200 -0.701 0.000 0.815 302 S CB 1.083 64.130 63.200 -0.256 0.000 1.139 302 S HN 1.009 nan 8.310 nan 0.000 0.472 303 A N 0.238 122.493 122.820 -0.943 0.000 2.119 303 A HA 0.113 4.442 4.320 0.016 0.000 0.217 303 A C 1.670 178.953 177.584 -0.501 0.000 1.153 303 A CA 1.203 52.676 52.037 -0.941 0.000 0.692 303 A CB -0.867 17.445 19.000 -1.147 0.000 0.799 303 A HN 0.850 nan 8.150 nan 0.000 0.458 304 E N -0.630 119.413 120.200 -0.262 0.000 2.076 304 E HA 0.096 4.456 4.350 0.016 0.000 0.190 304 E C -0.191 176.298 176.600 -0.185 0.000 0.979 304 E CA 0.638 56.949 56.400 -0.150 0.000 0.807 304 E CB 0.067 29.794 29.700 0.046 0.000 0.761 304 E HN 0.573 nan 8.360 nan 0.000 0.454 305 I N 2.143 122.576 120.570 -0.228 0.000 2.583 305 I HA 0.154 4.333 4.170 0.016 0.000 0.276 305 I C -2.464 173.448 176.117 -0.341 0.000 1.089 305 I CA -1.892 59.288 61.300 -0.201 0.000 1.103 305 I CB 2.232 40.163 38.000 -0.114 0.000 1.209 305 I HN -0.208 nan 8.210 nan 0.000 0.484 306 P HA 0.065 nan 4.420 nan 0.000 0.225 306 P C -0.505 176.782 177.300 -0.022 0.000 1.768 306 P CA -0.269 62.531 63.100 -0.501 0.000 0.943 306 P CB -0.318 31.223 31.700 -0.265 0.000 1.936 307 N N 1.459 120.169 118.700 0.018 0.000 2.357 307 N HA 0.051 4.801 4.740 0.016 0.000 0.257 307 N C 0.138 175.854 175.510 0.343 0.000 1.250 307 N CA 0.665 53.796 53.050 0.135 0.000 0.862 307 N CB 0.647 39.204 38.487 0.117 0.000 1.066 307 N HN 0.312 nan 8.380 nan 0.000 0.468 308 L N 2.366 123.719 121.223 0.217 0.000 2.370 308 L HA 0.472 4.822 4.340 0.016 0.000 0.266 308 L C -0.794 176.174 176.870 0.164 0.000 1.002 308 L CA -0.864 54.151 54.840 0.291 0.000 0.818 308 L CB 1.302 43.502 42.059 0.235 0.000 1.325 308 L HN 0.387 nan 8.230 nan 0.000 0.418 309 Y N 0.362 120.815 120.300 0.255 0.000 2.621 309 Y HA 0.653 5.213 4.550 0.016 0.000 0.334 309 Y C -0.147 175.877 175.900 0.207 0.000 1.074 309 Y CA -0.793 57.456 58.100 0.248 0.000 1.149 309 Y CB 1.806 40.472 38.460 0.343 0.000 1.302 309 Y HN 0.405 nan 8.280 nan 0.000 0.501 310 R N 1.033 121.767 120.500 0.390 0.000 2.494 310 R HA 0.832 5.182 4.340 0.016 0.000 0.305 310 R C -1.681 174.802 176.300 0.305 0.000 0.959 310 R CA -0.496 55.760 56.100 0.261 0.000 0.864 310 R CB 1.195 31.573 30.300 0.131 0.000 1.159 310 R HN 0.751 nan 8.270 nan 0.000 0.446 311 A N 3.596 126.539 122.820 0.206 0.000 2.330 311 A HA 0.664 4.993 4.320 0.016 0.000 0.327 311 A C -1.185 176.447 177.584 0.080 0.000 1.155 311 A CA -0.686 51.454 52.037 0.170 0.000 0.803 311 A CB 1.542 20.604 19.000 0.103 0.000 1.208 311 A HN 0.483 nan 8.150 nan 0.000 0.477 312 V N 2.957 122.925 119.914 0.089 0.000 2.448 312 V HA 0.387 4.517 4.120 0.016 0.000 0.295 312 V C -0.429 175.632 176.094 -0.055 0.000 1.025 312 V CA -0.524 61.768 62.300 -0.014 0.000 0.859 312 V CB 1.659 33.495 31.823 0.021 0.000 0.988 312 V HN 0.628 nan 8.190 nan 0.000 0.431 313 V N 4.865 124.676 119.914 -0.172 0.000 2.311 313 V HA 0.414 4.544 4.120 0.016 0.000 0.275 313 V C -0.031 176.005 176.094 -0.096 0.000 1.022 313 V CA -0.519 61.660 62.300 -0.202 0.000 0.830 313 V CB 1.035 32.572 31.823 -0.476 0.000 1.012 313 V HN 0.931 nan 8.190 nan 0.000 0.452 314 E N 3.882 124.082 120.200 0.001 0.000 2.171 314 E HA 0.494 4.854 4.350 0.016 0.000 0.271 314 E C -0.951 175.749 176.600 0.166 0.000 0.916 314 E CA -0.909 55.542 56.400 0.085 0.000 0.774 314 E CB 2.529 32.305 29.700 0.126 0.000 1.128 314 E HN 0.476 nan 8.360 nan 0.000 0.403 315 L N 4.787 126.080 121.223 0.116 0.000 2.260 315 L HA 0.355 4.705 4.340 0.016 0.000 0.289 315 L C -0.819 176.154 176.870 0.173 0.000 1.057 315 L CA 0.359 55.260 54.840 0.101 0.000 0.811 315 L CB -0.354 41.752 42.059 0.078 0.000 1.184 315 L HN 0.711 nan 8.230 nan 0.000 0.429 316 H N 0.569 119.686 119.070 0.079 0.000 2.950 316 H HA 0.798 5.364 4.556 0.016 0.000 0.272 316 H C -0.798 174.607 175.328 0.128 0.000 1.495 316 H CA -0.433 55.664 56.048 0.082 0.000 1.183 316 H CB 0.840 30.629 29.762 0.046 0.000 1.867 316 H HN 0.470 nan 8.280 nan 0.000 0.597 317 T N -2.494 112.220 114.554 0.268 0.000 2.949 317 T HA 0.605 4.965 4.350 0.016 0.000 0.287 317 T C 1.351 176.205 174.700 0.258 0.000 1.034 317 T CA -0.377 61.859 62.100 0.227 0.000 1.018 317 T CB 1.605 70.560 68.868 0.145 0.000 1.135 317 T HN 0.993 nan 8.240 nan 0.000 0.532 318 A N 1.286 124.220 122.820 0.189 0.000 1.917 318 A HA -0.117 4.213 4.320 0.016 0.000 0.219 318 A C 1.745 179.406 177.584 0.127 0.000 1.182 318 A CA 2.114 54.240 52.037 0.148 0.000 0.633 318 A CB -1.116 17.973 19.000 0.148 0.000 0.819 318 A HN 0.965 nan 8.150 nan 0.000 0.448 319 D N -2.011 118.445 120.400 0.094 0.000 2.340 319 D HA 0.306 4.955 4.640 0.016 0.000 0.220 319 D C 1.046 177.376 176.300 0.050 0.000 1.039 319 D CA 0.798 54.829 54.000 0.052 0.000 0.866 319 D CB -0.623 40.184 40.800 0.011 0.000 0.913 319 D HN 0.945 nan 8.370 nan 0.000 0.523 320 G N -0.202 108.656 108.800 0.097 0.000 2.215 320 G HA2 -0.181 3.788 3.960 0.016 0.000 0.198 320 G HA3 -0.181 3.788 3.960 0.016 0.000 0.198 320 G C -0.128 174.794 174.900 0.036 0.000 1.047 320 G CA -0.083 45.047 45.100 0.049 0.000 0.747 320 G HN 0.341 nan 8.290 nan 0.000 0.495 321 T N 0.541 115.149 114.554 0.089 0.000 2.797 321 T HA 0.599 4.958 4.350 0.016 0.000 0.279 321 T C 0.120 174.885 174.700 0.109 0.000 0.991 321 T CA -0.504 61.632 62.100 0.060 0.000 0.979 321 T CB 2.238 71.125 68.868 0.033 0.000 0.943 321 T HN 0.629 nan 8.240 nan 0.000 0.444 322 L N 3.649 124.914 121.223 0.071 0.000 2.349 322 L HA 0.422 4.772 4.340 0.016 0.000 0.275 322 L C 0.303 177.231 176.870 0.096 0.000 1.115 322 L CA 0.236 55.136 54.840 0.099 0.000 0.820 322 L CB 0.367 42.454 42.059 0.048 0.000 1.135 322 L HN 0.661 nan 8.230 nan 0.000 0.445 323 I N 2.549 123.187 120.570 0.113 0.000 3.039 323 I HA 0.235 4.415 4.170 0.016 0.000 0.270 323 I C 0.093 176.242 176.117 0.053 0.000 1.150 323 I CA 0.454 61.800 61.300 0.077 0.000 1.448 323 I CB 0.086 38.133 38.000 0.078 0.000 1.197 323 I HN 0.802 nan 8.210 nan 0.000 0.450 324 E N -0.199 120.035 120.200 0.057 0.000 2.398 324 E HA 0.715 5.075 4.350 0.016 0.000 0.280 324 E C -1.564 175.063 176.600 0.044 0.000 1.122 324 E CA -1.111 55.312 56.400 0.038 0.000 0.873 324 E CB 1.192 30.880 29.700 -0.020 0.000 1.294 324 E HN -0.053 nan 8.360 nan 0.000 0.435 325 A N 1.165 124.031 122.820 0.077 0.000 2.539 325 A HA 0.766 5.096 4.320 0.016 0.000 0.296 325 A C -1.159 176.528 177.584 0.171 0.000 1.073 325 A CA -0.707 51.379 52.037 0.081 0.000 0.700 325 A CB 1.909 20.956 19.000 0.078 0.000 1.296 325 A HN 0.514 nan 8.150 nan 0.000 0.405 326 E N -0.661 119.585 120.200 0.076 0.000 2.423 326 E HA 0.852 5.212 4.350 0.016 0.000 0.269 326 E C -0.601 176.043 176.600 0.074 0.000 0.948 326 E CA -0.403 56.103 56.400 0.177 0.000 0.802 326 E CB 2.405 32.084 29.700 -0.036 0.000 1.339 326 E HN 1.376 nan 8.360 nan 0.000 0.445 327 A N -0.182 122.795 122.820 0.261 0.000 2.566 327 A HA 0.719 5.049 4.320 0.016 0.000 0.290 327 A C -1.240 176.543 177.584 0.332 0.000 1.071 327 A CA -0.320 51.793 52.037 0.127 0.000 0.658 327 A CB 0.721 19.714 19.000 -0.013 0.000 1.285 327 A HN 0.887 nan 8.150 nan 0.000 0.427 328 C N -0.502 118.944 119.300 0.244 0.000 3.285 328 C HA 0.813 5.282 4.460 0.016 0.000 0.325 328 C C -1.358 173.735 174.990 0.171 0.000 1.304 328 C CA -0.901 58.269 59.018 0.253 0.000 1.319 328 C CB 1.117 29.048 27.740 0.318 0.000 1.640 328 C HN 0.823 nan 8.230 nan 0.000 0.477 329 D N 1.113 121.602 120.400 0.149 0.000 2.302 329 D HA 0.550 5.200 4.640 0.016 0.000 0.248 329 D C -0.327 176.043 176.300 0.116 0.000 1.094 329 D CA 0.190 54.277 54.000 0.145 0.000 0.897 329 D CB 1.817 42.704 40.800 0.144 0.000 1.200 329 D HN 0.566 nan 8.370 nan 0.000 0.429 330 V N 1.086 121.097 119.914 0.163 0.000 2.540 330 V HA 0.654 4.784 4.120 0.016 0.000 0.302 330 V C 0.582 176.773 176.094 0.160 0.000 1.035 330 V CA -0.911 61.440 62.300 0.084 0.000 0.873 330 V CB 2.029 33.888 31.823 0.060 0.000 0.992 330 V HN 0.594 nan 8.190 nan 0.000 0.428 331 G N 2.843 111.626 108.800 -0.027 0.000 2.422 331 G HA2 0.610 4.580 3.960 0.016 0.000 0.317 331 G HA3 0.610 4.580 3.960 0.016 0.000 0.317 331 G C -1.014 173.970 174.900 0.141 0.000 1.210 331 G CA -0.388 44.774 45.100 0.103 0.000 0.930 331 G HN 0.431 nan 8.290 nan 0.000 0.468 332 F N 4.055 124.207 119.950 0.337 0.000 2.439 332 F HA 0.415 4.951 4.527 0.015 0.000 0.356 332 F C 1.141 177.177 175.800 0.392 0.000 1.161 332 F CA -0.182 58.058 58.000 0.400 0.000 1.151 332 F CB 0.599 39.853 39.000 0.423 0.000 1.222 332 F HN 0.430 nan 8.300 nan 0.000 0.558 333 R N 2.938 123.700 120.500 0.437 0.000 2.680 333 R HA 0.437 4.786 4.340 0.016 0.000 0.269 333 R C -1.731 174.681 176.300 0.187 0.000 1.026 333 R CA -0.799 55.402 56.100 0.169 0.000 0.889 333 R CB 1.643 32.088 30.300 0.242 0.000 1.241 333 R HN 0.563 nan 8.270 nan 0.000 0.463 334 E N 2.069 122.258 120.200 -0.018 0.000 2.183 334 E HA 0.479 4.838 4.350 0.016 0.000 0.271 334 E C -1.216 175.430 176.600 0.077 0.000 0.919 334 E CA -0.937 55.560 56.400 0.162 0.000 0.781 334 E CB 2.072 31.953 29.700 0.302 0.000 1.140 334 E HN 0.408 nan 8.360 nan 0.000 0.402 335 V N 5.297 125.268 119.914 0.094 0.000 2.444 335 V HA 0.572 4.702 4.120 0.016 0.000 0.294 335 V C -0.269 175.864 176.094 0.066 0.000 1.022 335 V CA -0.725 61.604 62.300 0.049 0.000 0.850 335 V CB 1.188 33.022 31.823 0.018 0.000 0.992 335 V HN 0.753 nan 8.190 nan 0.000 0.426 336 R N 4.242 124.777 120.500 0.059 0.000 2.710 336 R HA 0.745 5.095 4.340 0.016 0.000 0.270 336 R C -2.054 174.275 176.300 0.049 0.000 1.021 336 R CA -0.921 55.218 56.100 0.066 0.000 0.889 336 R CB 1.972 32.329 30.300 0.095 0.000 1.243 336 R HN 0.520 nan 8.270 nan 0.000 0.464 337 I N 1.461 122.061 120.570 0.050 0.000 2.354 337 I HA 0.349 4.529 4.170 0.016 0.000 0.292 337 I C -0.613 175.530 176.117 0.044 0.000 0.989 337 I CA -0.433 60.890 61.300 0.039 0.000 1.188 337 I CB 1.827 39.852 38.000 0.041 0.000 1.342 337 I HN 0.736 nan 8.210 nan 0.000 0.457 338 E N 5.887 126.110 120.200 0.037 0.000 2.290 338 E HA 0.257 4.617 4.350 0.016 0.000 0.274 338 E C -0.176 176.442 176.600 0.029 0.000 0.889 338 E CA -0.537 55.886 56.400 0.039 0.000 0.760 338 E CB 1.046 30.776 29.700 0.050 0.000 1.206 338 E HN 0.513 nan 8.360 nan 0.000 0.419 339 N N 3.167 121.884 118.700 0.028 0.000 2.693 339 N HA -0.244 4.506 4.740 0.016 0.000 0.249 339 N C 0.521 176.040 175.510 0.015 0.000 1.119 339 N CA 2.292 55.355 53.050 0.021 0.000 0.717 339 N CB -1.126 37.372 38.487 0.019 0.000 1.071 339 N HN 1.050 nan 8.380 nan 0.000 0.555 340 G N -2.595 106.214 108.800 0.015 0.000 2.176 340 G HA2 -0.256 3.714 3.960 0.016 0.000 0.232 340 G HA3 -0.256 3.714 3.960 0.016 0.000 0.232 340 G C -0.127 174.770 174.900 -0.004 0.000 0.986 340 G CA 0.341 45.446 45.100 0.007 0.000 0.643 340 G HN 0.432 nan 8.290 nan 0.000 0.522 341 L N 0.232 121.454 121.223 -0.002 0.000 2.346 341 L HA 0.743 5.093 4.340 0.016 0.000 0.274 341 L C 0.057 176.919 176.870 -0.013 0.000 1.007 341 L CA -1.327 53.504 54.840 -0.016 0.000 0.818 341 L CB 1.875 43.925 42.059 -0.016 0.000 1.284 341 L HN 0.081 nan 8.230 nan 0.000 0.424 342 L N 4.139 125.342 121.223 -0.034 0.000 2.278 342 L HA 0.440 4.790 4.340 0.016 0.000 0.287 342 L C -0.763 176.084 176.870 -0.039 0.000 1.072 342 L CA 0.357 55.178 54.840 -0.033 0.000 0.819 342 L CB 0.289 42.313 42.059 -0.058 0.000 1.176 342 L HN 0.389 nan 8.230 nan 0.000 0.435 343 L N 5.798 127.013 121.223 -0.013 0.000 2.334 343 L HA 0.563 4.912 4.340 0.016 0.000 0.273 343 L C -0.792 176.073 176.870 -0.009 0.000 1.013 343 L CA -0.828 54.010 54.840 -0.004 0.000 0.816 343 L CB 1.897 43.976 42.059 0.034 0.000 1.278 343 L HN 0.539 nan 8.230 nan 0.000 0.431 344 L N 3.611 124.834 121.223 -0.001 0.000 2.372 344 L HA 0.484 4.834 4.340 0.016 0.000 0.274 344 L C -0.323 176.507 176.870 -0.066 0.000 0.988 344 L CA -0.057 54.778 54.840 -0.009 0.000 0.833 344 L CB 0.920 42.997 42.059 0.030 0.000 1.236 344 L HN 0.620 nan 8.230 nan 0.000 0.410 345 N N 3.931 122.421 118.700 -0.349 0.000 2.725 345 N HA -0.212 4.538 4.740 0.016 0.000 0.249 345 N C 0.885 175.928 175.510 -0.778 0.000 1.103 345 N CA 1.358 53.815 53.050 -0.989 0.000 0.707 345 N CB -1.412 36.480 38.487 -0.991 0.000 1.043 345 N HN 1.192 nan 8.380 nan 0.000 0.553 346 G N -1.936 106.724 108.800 -0.234 0.000 2.162 346 G HA2 -0.346 3.624 3.960 0.016 0.000 0.260 346 G HA3 -0.346 3.624 3.960 0.016 0.000 0.260 346 G C -0.126 174.804 174.900 0.050 0.000 0.976 346 G CA 0.889 46.024 45.100 0.058 0.000 0.655 346 G HN 0.429 nan 8.290 nan 0.000 0.533 347 K N 0.490 120.911 120.400 0.036 0.000 2.316 347 K HA 0.519 4.848 4.320 0.016 0.000 0.251 347 K C -2.908 173.675 176.600 -0.028 0.000 0.934 347 K CA -2.118 54.167 56.287 -0.002 0.000 0.802 347 K CB 2.861 35.313 32.500 -0.080 0.000 1.171 347 K HN 0.021 nan 8.250 nan 0.000 0.426 348 P HA 0.209 nan 4.420 nan 0.000 0.282 348 P C -0.083 177.158 177.300 -0.098 0.000 1.274 348 P CA -0.230 62.830 63.100 -0.067 0.000 0.770 348 P CB 0.478 32.141 31.700 -0.062 0.000 0.867 349 L N 3.389 124.547 121.223 -0.109 0.000 2.472 349 L HA 0.307 4.657 4.340 0.016 0.000 0.260 349 L C 0.698 177.492 176.870 -0.126 0.000 1.209 349 L CA -0.586 54.180 54.840 -0.124 0.000 0.817 349 L CB 0.208 42.153 42.059 -0.191 0.000 1.106 349 L HN 0.260 nan 8.230 nan 0.000 0.479 350 L N 2.685 123.852 121.223 -0.094 0.000 2.427 350 L HA 0.408 4.757 4.340 0.016 0.000 0.264 350 L C -0.612 176.228 176.870 -0.050 0.000 0.989 350 L CA -0.213 54.559 54.840 -0.113 0.000 0.865 350 L CB 0.887 42.909 42.059 -0.062 0.000 1.209 350 L HN 0.229 nan 8.230 nan 0.000 0.430 351 I N 4.789 125.263 120.570 -0.160 0.000 2.406 351 I HA 0.167 4.346 4.170 0.016 0.000 0.293 351 I C 0.593 176.687 176.117 -0.038 0.000 1.101 351 I CA 0.321 61.531 61.300 -0.149 0.000 1.334 351 I CB 0.186 37.968 38.000 -0.364 0.000 1.421 351 I HN 0.571 nan 8.210 nan 0.000 0.513 352 R N 4.643 125.212 120.500 0.115 0.000 3.070 352 R HA 0.435 4.785 4.340 0.016 0.000 0.252 352 R C 0.555 176.996 176.300 0.235 0.000 1.370 352 R CA -0.251 55.966 56.100 0.195 0.000 1.482 352 R CB 0.830 31.075 30.300 -0.093 0.000 1.220 352 R HN 0.766 nan 8.270 nan 0.000 0.622 353 G N 0.006 108.903 108.800 0.161 0.000 2.552 353 G HA2 0.613 4.583 3.960 0.016 0.000 0.324 353 G HA3 0.613 4.583 3.960 0.016 0.000 0.324 353 G C -1.313 173.914 174.900 0.546 0.000 1.217 353 G CA -0.460 44.725 45.100 0.141 0.000 0.989 353 G HN 0.231 nan 8.290 nan 0.000 0.490 354 V N -0.221 120.011 119.914 0.530 0.000 3.048 354 V HA 0.475 4.605 4.120 0.016 0.000 0.303 354 V C -1.273 174.979 176.094 0.265 0.000 1.214 354 V CA -1.210 61.278 62.300 0.312 0.000 0.984 354 V CB 2.248 33.968 31.823 -0.171 0.000 1.054 354 V HN 0.757 nan 8.190 nan 0.000 0.430 355 N N 4.158 122.925 118.700 0.111 0.000 2.499 355 N HA 0.444 5.194 4.740 0.016 0.000 0.281 355 N C -0.775 174.558 175.510 -0.295 0.000 1.098 355 N CA -0.317 52.656 53.050 -0.128 0.000 0.979 355 N CB 1.533 39.897 38.487 -0.205 0.000 1.121 355 N HN 0.645 nan 8.380 nan 0.000 0.466 356 R N 2.187 122.476 120.500 -0.353 0.000 2.502 356 R HA 0.228 4.577 4.340 0.016 0.000 0.298 356 R C -1.042 175.024 176.300 -0.390 0.000 1.018 356 R CA -0.532 55.380 56.100 -0.313 0.000 0.899 356 R CB 0.845 30.946 30.300 -0.332 0.000 1.181 356 R HN 0.594 nan 8.270 nan 0.000 0.444 357 H N 2.176 121.106 119.070 -0.234 0.000 2.488 357 H HA 0.155 4.721 4.556 0.016 0.000 0.347 357 H C -0.512 174.822 175.328 0.011 0.000 1.174 357 H CA -0.105 55.897 56.048 -0.076 0.000 1.307 357 H CB 1.577 31.355 29.762 0.026 0.000 1.517 357 H HN 0.567 nan 8.280 nan 0.000 0.554 358 E N 1.891 122.292 120.200 0.335 0.000 1.941 358 E HA 0.106 4.465 4.350 0.016 0.000 0.275 358 E C -0.742 176.008 176.600 0.250 0.000 1.113 358 E CA 0.005 56.523 56.400 0.197 0.000 0.878 358 E CB 0.241 30.059 29.700 0.196 0.000 1.070 358 E HN 0.361 nan 8.360 nan 0.000 0.399 359 H N 1.638 120.767 119.070 0.097 0.000 2.865 359 H HA 0.280 4.845 4.556 0.016 0.000 0.362 359 H C -1.688 173.691 175.328 0.086 0.000 1.114 359 H CA -0.673 55.425 56.048 0.084 0.000 1.208 359 H CB 1.109 30.909 29.762 0.063 0.000 1.727 359 H HN 0.399 nan 8.280 nan 0.000 0.534 360 H N 5.959 124.588 119.070 -0.734 0.000 2.782 360 H HA 0.212 4.778 4.556 0.016 0.000 0.347 360 H C -2.354 172.567 175.328 -0.678 0.000 1.038 360 H CA -2.356 53.418 56.048 -0.456 0.000 1.255 360 H CB 2.673 32.344 29.762 -0.152 0.000 1.623 360 H HN 0.513 nan 8.280 nan 0.000 0.525 361 P HA -0.097 nan 4.420 nan 0.000 0.219 361 P C 1.273 178.470 177.300 -0.172 0.000 1.146 361 P CA 0.929 63.866 63.100 -0.272 0.000 0.808 361 P CB 0.789 32.366 31.700 -0.204 0.000 0.779 362 L N -2.216 119.019 121.223 0.019 0.000 2.362 362 L HA 0.105 4.455 4.340 0.016 0.000 0.204 362 L C 2.197 178.876 176.870 -0.318 0.000 1.060 362 L CA 0.684 55.395 54.840 -0.214 0.000 0.827 362 L CB -0.644 41.152 42.059 -0.437 0.000 1.027 362 L HN -0.010 nan 8.230 nan 0.000 0.474 363 H N -0.574 118.467 119.070 -0.048 0.000 2.539 363 H HA 0.233 4.799 4.556 0.016 0.000 0.269 363 H C 1.444 176.668 175.328 -0.173 0.000 0.980 363 H CA 0.239 56.167 56.048 -0.200 0.000 1.152 363 H CB 0.454 29.972 29.762 -0.407 0.000 1.407 363 H HN 0.404 nan 8.280 nan 0.000 0.564 364 G N 1.449 110.171 108.800 -0.131 0.000 2.609 364 G HA2 -0.390 3.580 3.960 0.016 0.000 0.288 364 G HA3 -0.390 3.580 3.960 0.016 0.000 0.288 364 G C 0.693 175.502 174.900 -0.152 0.000 1.211 364 G CA 0.408 45.373 45.100 -0.224 0.000 0.963 364 G HN 0.468 nan 8.290 nan 0.000 0.541 365 Q N 0.002 119.744 119.800 -0.097 0.000 2.198 365 Q HA 0.494 4.844 4.340 0.016 0.000 0.209 365 Q C 0.110 176.197 176.000 0.143 0.000 0.848 365 Q CA -0.114 55.673 55.803 -0.026 0.000 0.974 365 Q CB 1.609 30.235 28.738 -0.187 0.000 1.115 365 Q HN 0.362 nan 8.270 nan 0.000 0.494 366 V N 2.035 122.015 119.914 0.109 0.000 2.432 366 V HA 0.222 4.352 4.120 0.016 0.000 0.275 366 V C 0.122 176.254 176.094 0.064 0.000 1.043 366 V CA -0.098 62.271 62.300 0.115 0.000 0.925 366 V CB 1.054 32.879 31.823 0.003 0.000 0.985 366 V HN 0.320 nan 8.190 nan 0.000 0.466 367 M N 4.535 124.184 119.600 0.081 0.000 2.478 367 M HA 0.537 5.027 4.480 0.016 0.000 0.327 367 M C -0.500 175.751 176.300 -0.083 0.000 1.187 367 M CA -0.686 54.617 55.300 0.006 0.000 1.022 367 M CB 1.518 34.099 32.600 -0.033 0.000 1.629 367 M HN 0.964 nan 8.290 nan 0.000 0.461 368 D N -1.810 118.537 120.400 -0.089 0.000 2.602 368 D HA 0.239 4.889 4.640 0.016 0.000 0.236 368 D C 0.261 176.529 176.300 -0.053 0.000 1.209 368 D CA -0.669 53.278 54.000 -0.088 0.000 0.831 368 D CB 1.275 42.039 40.800 -0.061 0.000 1.478 368 D HN 0.658 nan 8.370 nan 0.000 0.438 369 E N -0.028 120.152 120.200 -0.035 0.000 2.065 369 E HA -0.370 3.990 4.350 0.016 0.000 0.201 369 E C 1.622 178.258 176.600 0.059 0.000 1.016 369 E CA 1.590 58.002 56.400 0.020 0.000 0.818 369 E CB 0.080 29.807 29.700 0.044 0.000 0.749 369 E HN 0.582 nan 8.360 nan 0.000 0.453 370 Q N -0.301 119.535 119.800 0.060 0.000 2.077 370 Q HA -0.183 4.166 4.340 0.016 0.000 0.206 370 Q C 2.120 178.178 176.000 0.096 0.000 0.989 370 Q CA 2.468 58.318 55.803 0.080 0.000 0.853 370 Q CB -0.218 28.568 28.738 0.080 0.000 0.907 370 Q HN 0.355 nan 8.270 nan 0.000 0.418 371 T N 1.009 115.627 114.554 0.107 0.000 2.821 371 T HA -0.091 4.268 4.350 0.016 0.000 0.267 371 T C 1.934 176.711 174.700 0.128 0.000 1.046 371 T CA 1.432 63.612 62.100 0.133 0.000 1.139 371 T CB -0.143 68.839 68.868 0.190 0.000 0.871 371 T HN 0.299 nan 8.240 nan 0.000 0.454 372 M N 0.629 120.304 119.600 0.125 0.000 2.117 372 M HA -0.072 4.417 4.480 0.016 0.000 0.262 372 M C 2.468 178.889 176.300 0.202 0.000 1.065 372 M CA 1.218 56.660 55.300 0.235 0.000 1.114 372 M CB -0.665 32.114 32.600 0.298 0.000 1.361 372 M HN 0.086 nan 8.290 nan 0.000 0.408 373 V N 0.403 120.377 119.914 0.100 0.000 2.343 373 V HA -0.301 3.828 4.120 0.016 0.000 0.247 373 V C 2.372 178.450 176.094 -0.025 0.000 1.051 373 V CA 2.067 64.366 62.300 -0.001 0.000 1.036 373 V CB -0.836 31.020 31.823 0.055 0.000 0.654 373 V HN 0.557 nan 8.190 nan 0.000 0.451 374 Q N -0.263 119.572 119.800 0.058 0.000 2.077 374 Q HA -0.289 4.061 4.340 0.016 0.000 0.206 374 Q C 2.005 178.070 176.000 0.108 0.000 0.989 374 Q CA 2.333 58.186 55.803 0.084 0.000 0.853 374 Q CB -0.167 28.638 28.738 0.112 0.000 0.907 374 Q HN 0.609 nan 8.270 nan 0.000 0.418 375 D N 0.124 120.608 120.400 0.140 0.000 2.117 375 D HA -0.135 4.515 4.640 0.016 0.000 0.197 375 D C 1.919 178.169 176.300 -0.083 0.000 0.987 375 D CA 1.111 55.194 54.000 0.140 0.000 0.829 375 D CB -0.174 40.688 40.800 0.103 0.000 0.961 375 D HN 0.357 nan 8.370 nan 0.000 0.460 376 I N 0.626 121.136 120.570 -0.101 0.000 2.226 376 I HA -0.239 3.941 4.170 0.016 0.000 0.245 376 I C 2.376 178.337 176.117 -0.261 0.000 1.100 376 I CA 0.677 61.805 61.300 -0.286 0.000 1.374 376 I CB -0.149 37.547 38.000 -0.506 0.000 1.057 376 I HN -0.012 nan 8.210 nan 0.000 0.413 377 L N -0.056 121.061 121.223 -0.176 0.000 2.046 377 L HA -0.218 4.132 4.340 0.016 0.000 0.208 377 L C 2.528 179.451 176.870 0.088 0.000 1.077 377 L CA 1.352 56.180 54.840 -0.020 0.000 0.747 377 L CB -0.661 41.425 42.059 0.046 0.000 0.896 377 L HN 0.277 nan 8.230 nan 0.000 0.432 378 L N -0.920 120.376 121.223 0.123 0.000 2.093 378 L HA -0.205 4.144 4.340 0.016 0.000 0.208 378 L C 2.701 179.722 176.870 0.251 0.000 1.085 378 L CA 1.228 56.223 54.840 0.259 0.000 0.755 378 L CB -0.266 42.053 42.059 0.434 0.000 0.904 378 L HN 0.297 nan 8.230 nan 0.000 0.435 379 M N -0.558 119.015 119.600 -0.045 0.000 2.065 379 M HA -0.258 4.232 4.480 0.016 0.000 0.259 379 M C 2.293 178.660 176.300 0.113 0.000 1.069 379 M CA 1.898 57.111 55.300 -0.146 0.000 1.110 379 M CB -0.327 31.958 32.600 -0.524 0.000 1.328 379 M HN 0.068 nan 8.290 nan 0.000 0.405 380 K N -0.030 120.305 120.400 -0.108 0.000 2.097 380 K HA -0.187 4.143 4.320 0.016 0.000 0.206 380 K C 1.912 178.398 176.600 -0.190 0.000 1.049 380 K CA 1.347 57.423 56.287 -0.352 0.000 0.933 380 K CB -0.211 31.791 32.500 -0.831 0.000 0.717 380 K HN 0.465 nan 8.250 nan 0.000 0.442 381 Q N 0.200 120.095 119.800 0.157 0.000 2.437 381 Q HA -0.035 4.315 4.340 0.016 0.000 0.210 381 Q C 0.745 177.039 176.000 0.490 0.000 0.972 381 Q CA 0.633 56.688 55.803 0.420 0.000 0.903 381 Q CB 0.169 29.150 28.738 0.405 0.000 0.967 381 Q HN 0.242 nan 8.270 nan 0.000 0.486 382 N N 0.367 119.296 118.700 0.381 0.000 2.275 382 N HA 0.060 4.810 4.740 0.016 0.000 0.236 382 N C -0.647 174.950 175.510 0.146 0.000 1.154 382 N CA 0.044 53.314 53.050 0.366 0.000 0.866 382 N CB 0.777 39.576 38.487 0.520 0.000 1.093 382 N HN 0.132 nan 8.380 nan 0.000 0.515 383 N N 0.112 118.912 118.700 0.166 0.000 2.776 383 N HA -0.184 4.566 4.740 0.016 0.000 0.250 383 N C -0.916 174.526 175.510 -0.113 0.000 1.112 383 N CA 0.748 53.858 53.050 0.099 0.000 0.733 383 N CB -1.774 36.684 38.487 -0.048 0.000 1.097 383 N HN 0.234 nan 8.380 nan 0.000 0.558 384 F N 1.093 121.067 119.950 0.040 0.000 2.385 384 F HA 0.325 4.861 4.527 0.016 0.000 0.336 384 F C 1.780 177.583 175.800 0.004 0.000 1.100 384 F CA -0.603 57.407 58.000 0.018 0.000 1.116 384 F CB 0.859 39.842 39.000 -0.027 0.000 1.166 384 F HN 0.038 nan 8.300 nan 0.000 0.511 385 N N 0.757 119.589 118.700 0.219 0.000 2.143 385 N HA 0.406 5.155 4.740 0.016 0.000 0.222 385 N C -0.817 174.751 175.510 0.096 0.000 1.264 385 N CA 0.015 53.121 53.050 0.094 0.000 0.897 385 N CB 0.725 39.328 38.487 0.194 0.000 1.092 385 N HN 0.460 nan 8.380 nan 0.000 0.516 386 A N -0.385 122.569 122.820 0.223 0.000 2.572 386 A HA 0.750 5.080 4.320 0.016 0.000 0.295 386 A C -1.693 176.138 177.584 0.412 0.000 1.072 386 A CA -0.706 51.528 52.037 0.329 0.000 0.691 386 A CB 1.934 21.136 19.000 0.337 0.000 1.291 386 A HN 0.180 nan 8.150 nan 0.000 0.404 387 V N 1.282 121.482 119.914 0.477 0.000 2.925 387 V HA 0.793 4.923 4.120 0.016 0.000 0.311 387 V C -0.569 175.672 176.094 0.244 0.000 1.104 387 V CA -0.779 61.751 62.300 0.385 0.000 0.954 387 V CB 1.904 33.870 31.823 0.239 0.000 1.022 387 V HN 1.093 nan 8.190 nan 0.000 0.427 388 R N 4.865 125.318 120.500 -0.078 0.000 2.338 388 R HA 0.460 4.810 4.340 0.016 0.000 0.317 388 R C -0.755 175.387 176.300 -0.263 0.000 0.968 388 R CA -0.466 55.388 56.100 -0.411 0.000 0.849 388 R CB 0.939 30.744 30.300 -0.825 0.000 1.128 388 R HN 0.815 nan 8.270 nan 0.000 0.448 389 C N 4.581 123.763 119.300 -0.196 0.000 2.896 389 C HA 0.110 4.580 4.460 0.016 0.000 0.499 389 C C 0.431 175.129 174.990 -0.488 0.000 1.022 389 C CA -0.441 58.412 59.018 -0.276 0.000 1.127 389 C CB -2.073 25.621 27.740 -0.077 0.000 1.452 389 C HN 0.732 nan 8.230 nan 0.000 0.580 390 S N 1.599 116.878 115.700 -0.701 0.000 2.465 390 S HA 0.164 4.644 4.470 0.016 0.000 0.280 390 S C -0.084 173.557 174.600 -1.599 0.000 1.232 390 S CA 0.073 57.567 58.200 -1.177 0.000 1.066 390 S CB 0.148 62.642 63.200 -1.177 0.000 0.929 390 S HN 0.731 nan 8.310 nan 0.000 0.494 391 H N 3.559 121.988 119.070 -1.068 0.000 2.439 391 H HA 0.324 4.889 4.556 0.016 0.000 0.230 391 H C -1.127 174.045 175.328 -0.260 0.000 1.420 391 H CA -0.357 55.456 56.048 -0.393 0.000 1.305 391 H CB -0.150 29.598 29.762 -0.025 0.000 1.667 391 H HN 0.883 nan 8.280 nan 0.000 0.515 392 Y N -2.821 117.569 120.300 0.150 0.000 2.732 392 Y HA 0.395 4.955 4.550 0.017 0.000 0.342 392 Y C -3.342 172.657 175.900 0.166 0.000 1.203 392 Y CA -3.187 55.014 58.100 0.169 0.000 1.092 392 Y CB -0.012 38.555 38.460 0.177 0.000 1.345 392 Y HN -0.097 nan 8.280 nan 0.000 0.458 393 P HA 0.165 nan 4.420 nan 0.000 0.268 393 P C -0.605 176.977 177.300 0.469 0.000 1.205 393 P CA 0.171 63.522 63.100 0.418 0.000 0.771 393 P CB 0.611 32.493 31.700 0.303 0.000 0.858 394 N N 0.467 119.455 118.700 0.480 0.000 2.447 394 N HA 0.085 4.835 4.740 0.016 0.000 0.271 394 N C 0.159 175.903 175.510 0.390 0.000 1.226 394 N CA -0.596 52.652 53.050 0.330 0.000 0.980 394 N CB 0.328 38.813 38.487 -0.004 0.000 1.206 394 N HN 0.598 nan 8.380 nan 0.000 0.558 395 H N 2.332 121.502 119.070 0.166 0.000 3.094 395 H HA -0.013 4.552 4.556 0.016 0.000 0.320 395 H C -1.586 173.903 175.328 0.269 0.000 1.000 395 H CA -0.739 55.395 56.048 0.144 0.000 1.413 395 H CB 0.967 30.781 29.762 0.086 0.000 1.405 395 H HN 0.439 nan 8.280 nan 0.000 0.586 396 P HA -0.214 nan 4.420 nan 0.000 0.217 396 P C 1.823 179.439 177.300 0.528 0.000 1.148 396 P CA 0.708 64.056 63.100 0.414 0.000 0.828 396 P CB 0.240 32.029 31.700 0.149 0.000 0.783 397 L N -0.918 120.702 121.223 0.662 0.000 2.131 397 L HA -0.058 4.292 4.340 0.016 0.000 0.210 397 L C 2.448 179.484 176.870 0.277 0.000 1.092 397 L CA 1.436 56.507 54.840 0.386 0.000 0.759 397 L CB -1.520 40.680 42.059 0.235 0.000 0.903 397 L HN 0.025 nan 8.230 nan 0.000 0.435 398 W N -0.496 120.824 121.300 0.033 0.000 2.321 398 W HA -0.358 4.311 4.660 0.015 0.000 0.306 398 W C 2.129 178.510 176.519 -0.230 0.000 1.217 398 W CA 2.037 59.276 57.345 -0.177 0.000 1.257 398 W CB -0.369 28.882 29.460 -0.347 0.000 1.145 398 W HN 0.280 nan 8.180 nan 0.000 0.509 399 Y N 0.471 120.701 120.300 -0.117 0.000 2.200 399 Y HA -0.220 4.339 4.550 0.015 0.000 0.290 399 Y C 2.864 178.562 175.900 -0.336 0.000 1.137 399 Y CA 2.135 59.969 58.100 -0.444 0.000 1.163 399 Y CB -1.263 36.614 38.460 -0.972 0.000 0.988 399 Y HN -0.229 nan 8.280 nan 0.000 0.518 400 T N 0.679 115.253 114.554 0.034 0.000 2.746 400 T HA -0.169 4.191 4.350 0.016 0.000 0.267 400 T C 1.996 176.735 174.700 0.066 0.000 1.039 400 T CA 1.420 63.605 62.100 0.142 0.000 1.142 400 T CB -0.533 68.463 68.868 0.213 0.000 0.866 400 T HN 0.228 nan 8.240 nan 0.000 0.444 401 L N 0.242 121.461 121.223 -0.007 0.000 2.056 401 L HA -0.093 4.257 4.340 0.016 0.000 0.207 401 L C 2.883 179.728 176.870 -0.041 0.000 1.078 401 L CA 0.922 55.780 54.840 0.029 0.000 0.749 401 L CB -0.627 41.381 42.059 -0.085 0.000 0.901 401 L HN 0.383 nan 8.230 nan 0.000 0.433 402 C N -0.221 118.883 119.300 -0.326 0.000 2.440 402 C HA -0.142 4.327 4.460 0.016 0.000 0.278 402 C C 2.405 177.443 174.990 0.080 0.000 1.295 402 C CA 0.402 59.271 59.018 -0.249 0.000 1.738 402 C CB -0.779 26.709 27.740 -0.419 0.000 1.987 402 C HN 0.540 nan 8.230 nan 0.000 0.492 403 D N 0.514 120.973 120.400 0.099 0.000 2.123 403 D HA -0.106 4.544 4.640 0.016 0.000 0.196 403 D C 2.387 178.905 176.300 0.363 0.000 0.992 403 D CA 1.241 55.383 54.000 0.237 0.000 0.833 403 D CB -0.337 40.558 40.800 0.158 0.000 0.954 403 D HN 0.531 nan 8.370 nan 0.000 0.455 404 R N -0.932 119.669 120.500 0.169 0.000 2.075 404 R HA -0.006 4.344 4.340 0.016 0.000 0.226 404 R C 2.268 178.534 176.300 -0.058 0.000 1.114 404 R CA 0.658 56.784 56.100 0.044 0.000 0.972 404 R CB -0.287 29.963 30.300 -0.083 0.000 0.869 404 R HN 0.282 nan 8.270 nan 0.000 0.437 405 Y N 0.025 120.334 120.300 0.014 0.000 2.395 405 Y HA 0.120 4.680 4.550 0.016 0.000 0.293 405 Y C 0.985 176.814 175.900 -0.117 0.000 1.123 405 Y CA 0.833 58.914 58.100 -0.032 0.000 1.227 405 Y CB 0.567 38.971 38.460 -0.093 0.000 1.012 405 Y HN 0.275 nan 8.280 nan 0.000 0.552 406 G N 1.147 109.978 108.800 0.051 0.000 2.830 406 G HA2 -0.153 3.817 3.960 0.016 0.000 0.298 406 G HA3 -0.153 3.817 3.960 0.016 0.000 0.298 406 G C -1.189 173.551 174.900 -0.267 0.000 1.031 406 G CA -0.545 44.453 45.100 -0.170 0.000 1.179 406 G HN 0.170 nan 8.290 nan 0.000 0.527 407 L N 1.109 122.249 121.223 -0.138 0.000 2.455 407 L HA 0.517 4.867 4.340 0.016 0.000 0.264 407 L C 0.030 176.897 176.870 -0.004 0.000 0.968 407 L CA -1.328 53.395 54.840 -0.196 0.000 0.827 407 L CB 1.939 43.908 42.059 -0.148 0.000 1.317 407 L HN 0.448 nan 8.230 nan 0.000 0.407 408 Y N 1.687 122.124 120.300 0.229 0.000 2.359 408 Y HA 0.405 4.967 4.550 0.019 0.000 0.330 408 Y C 0.222 176.261 175.900 0.233 0.000 1.143 408 Y CA -0.622 57.651 58.100 0.289 0.000 1.318 408 Y CB 1.290 39.898 38.460 0.246 0.000 1.234 408 Y HN 0.167 nan 8.280 nan 0.000 0.522 409 V N 3.904 124.020 119.914 0.338 0.000 2.735 409 V HA 0.337 4.466 4.120 0.016 0.000 0.310 409 V C -0.683 175.502 176.094 0.153 0.000 1.061 409 V CA -1.032 61.402 62.300 0.224 0.000 0.913 409 V CB 2.067 33.980 31.823 0.149 0.000 1.005 409 V HN 0.450 nan 8.190 nan 0.000 0.428 410 V N 3.004 122.974 119.914 0.093 0.000 2.333 410 V HA 0.334 4.463 4.120 0.016 0.000 0.274 410 V C -0.379 175.754 176.094 0.064 0.000 1.028 410 V CA -0.361 61.947 62.300 0.013 0.000 0.851 410 V CB 1.420 33.150 31.823 -0.155 0.000 1.000 410 V HN 0.893 nan 8.190 nan 0.000 0.456 411 D N 4.176 124.653 120.400 0.128 0.000 2.249 411 D HA 0.322 4.971 4.640 0.016 0.000 0.246 411 D C -0.252 176.238 176.300 0.318 0.000 1.114 411 D CA -0.110 54.060 54.000 0.283 0.000 0.854 411 D CB 1.312 42.324 40.800 0.352 0.000 1.132 411 D HN 0.686 nan 8.370 nan 0.000 0.461 412 E N 2.070 122.421 120.200 0.252 0.000 2.210 412 E HA 0.619 4.979 4.350 0.016 0.000 0.266 412 E C -1.010 175.727 176.600 0.229 0.000 0.883 412 E CA -1.074 55.461 56.400 0.224 0.000 0.761 412 E CB 1.332 31.110 29.700 0.131 0.000 1.156 412 E HN 0.470 nan 8.360 nan 0.000 0.412 413 A N 3.924 126.873 122.820 0.215 0.000 2.498 413 A HA 0.029 4.358 4.320 0.016 0.000 0.239 413 A C 0.358 178.065 177.584 0.204 0.000 1.068 413 A CA -0.156 51.987 52.037 0.176 0.000 0.766 413 A CB 0.079 19.148 19.000 0.115 0.000 1.003 413 A HN 0.712 nan 8.150 nan 0.000 0.497 414 N N 1.391 120.218 118.700 0.211 0.000 3.103 414 N HA 0.232 4.981 4.740 0.016 0.000 0.305 414 N C -0.989 174.646 175.510 0.209 0.000 1.232 414 N CA 0.231 53.438 53.050 0.260 0.000 1.190 414 N CB -0.883 37.762 38.487 0.263 0.000 1.461 414 N HN 0.478 nan 8.380 nan 0.000 0.538 415 I N 0.780 121.470 120.570 0.199 0.000 2.503 415 I HA 0.273 4.453 4.170 0.016 0.000 0.282 415 I C -0.540 175.679 176.117 0.171 0.000 1.059 415 I CA -0.640 60.761 61.300 0.168 0.000 1.081 415 I CB 1.680 39.754 38.000 0.123 0.000 1.210 415 I HN 0.213 nan 8.210 nan 0.000 0.450 416 E N 4.292 124.583 120.200 0.152 0.000 2.281 416 E HA 0.367 4.726 4.350 0.016 0.000 0.266 416 E C -0.451 176.190 176.600 0.067 0.000 0.893 416 E CA -0.487 55.970 56.400 0.095 0.000 0.798 416 E CB 1.526 31.261 29.700 0.059 0.000 1.245 416 E HN 0.599 nan 8.360 nan 0.000 0.410 417 T N 0.901 115.486 114.554 0.053 0.000 3.355 417 T HA 0.197 4.557 4.350 0.016 0.000 0.276 417 T C 0.817 175.507 174.700 -0.016 0.000 1.003 417 T CA -0.239 61.906 62.100 0.075 0.000 0.943 417 T CB -0.431 68.486 68.868 0.082 0.000 1.158 417 T HN 0.560 nan 8.240 nan 0.000 0.513 418 N N 1.199 119.814 118.700 -0.143 0.000 2.091 418 N HA -0.133 4.617 4.740 0.016 0.000 0.193 418 N C 2.025 177.414 175.510 -0.202 0.000 1.021 418 N CA 1.495 54.429 53.050 -0.193 0.000 0.862 418 N CB -0.390 37.946 38.487 -0.253 0.000 1.018 418 N HN 0.613 nan 8.380 nan 0.000 0.429 419 G N -0.062 108.530 108.800 -0.346 0.000 2.848 419 G HA2 -0.006 3.964 3.960 0.016 0.000 0.208 419 G HA3 -0.006 3.964 3.960 0.016 0.000 0.208 419 G C 0.461 175.481 174.900 0.200 0.000 1.152 419 G CA -0.051 44.961 45.100 -0.145 0.000 0.789 419 G HN 0.155 nan 8.290 nan 0.000 0.531 420 M N 0.277 120.009 119.600 0.220 0.000 2.198 420 M HA 0.331 4.821 4.480 0.016 0.000 0.315 420 M C -0.353 175.962 176.300 0.025 0.000 1.134 420 M CA -0.333 55.043 55.300 0.126 0.000 1.171 420 M CB 1.381 34.009 32.600 0.047 0.000 1.413 420 M HN -0.215 nan 8.290 nan 0.000 0.467 421 V N 3.658 123.571 119.914 -0.002 0.000 2.482 421 V HA 0.371 4.500 4.120 0.016 0.000 0.295 421 V C -1.959 174.118 176.094 -0.028 0.000 1.026 421 V CA -1.271 61.016 62.300 -0.023 0.000 0.856 421 V CB 1.850 33.657 31.823 -0.026 0.000 1.001 421 V HN 0.736 nan 8.190 nan 0.000 0.424 422 P HA 0.259 nan 4.420 nan 0.000 0.277 422 P C 1.017 178.306 177.300 -0.018 0.000 1.276 422 P CA -0.539 62.546 63.100 -0.025 0.000 0.788 422 P CB 0.990 32.681 31.700 -0.016 0.000 1.114 423 M N 0.563 120.154 119.600 -0.014 0.000 2.267 423 M HA -0.176 4.313 4.480 0.016 0.000 0.263 423 M C 1.189 177.506 176.300 0.028 0.000 1.063 423 M CA 1.863 57.163 55.300 0.000 0.000 1.090 423 M CB -0.494 32.099 32.600 -0.011 0.000 1.392 423 M HN 0.371 nan 8.290 nan 0.000 0.422 424 N N -0.050 118.670 118.700 0.034 0.000 2.313 424 N HA -0.081 4.669 4.740 0.016 0.000 0.207 424 N C 1.148 176.644 175.510 -0.024 0.000 1.141 424 N CA 0.197 53.273 53.050 0.043 0.000 0.830 424 N CB -0.719 37.813 38.487 0.075 0.000 1.008 424 N HN 0.361 nan 8.380 nan 0.000 0.481 425 R N 0.445 120.913 120.500 -0.052 0.000 2.096 425 R HA -0.043 4.307 4.340 0.016 0.000 0.240 425 R C 1.491 177.697 176.300 -0.157 0.000 1.139 425 R CA 1.522 57.567 56.100 -0.091 0.000 0.952 425 R CB -0.096 30.147 30.300 -0.095 0.000 0.854 425 R HN 0.298 nan 8.270 nan 0.000 0.436 426 L N -0.562 120.510 121.223 -0.251 0.000 2.127 426 L HA -0.028 4.322 4.340 0.016 0.000 0.203 426 L C 2.561 179.307 176.870 -0.207 0.000 1.080 426 L CA 1.404 55.981 54.840 -0.438 0.000 0.768 426 L CB -0.675 40.865 42.059 -0.864 0.000 0.924 426 L HN 0.382 nan 8.230 nan 0.000 0.444 427 T N -4.156 110.305 114.554 -0.156 0.000 3.007 427 T HA -0.179 4.181 4.350 0.016 0.000 0.270 427 T C 1.275 175.886 174.700 -0.149 0.000 1.107 427 T CA 1.328 63.315 62.100 -0.189 0.000 1.118 427 T CB -0.254 68.468 68.868 -0.243 0.000 0.889 427 T HN 0.138 nan 8.240 nan 0.000 0.506 428 D N 1.006 121.358 120.400 -0.081 0.000 2.349 428 D HA 0.102 4.752 4.640 0.016 0.000 0.214 428 D C -0.207 176.076 176.300 -0.030 0.000 1.063 428 D CA -0.171 53.792 54.000 -0.062 0.000 0.847 428 D CB -0.033 40.738 40.800 -0.047 0.000 0.933 428 D HN 0.346 nan 8.370 nan 0.000 0.513 429 D N -0.280 120.120 120.400 -0.001 0.000 2.329 429 D HA 0.138 4.788 4.640 0.016 0.000 0.232 429 D C -1.650 174.700 176.300 0.085 0.000 1.088 429 D CA -2.317 51.718 54.000 0.059 0.000 0.835 429 D CB 1.950 42.826 40.800 0.126 0.000 1.078 429 D HN -0.078 nan 8.370 nan 0.000 0.495 430 P HA -0.162 nan 4.420 nan 0.000 0.217 430 P C 1.039 178.335 177.300 -0.006 0.000 1.148 430 P CA 0.985 64.091 63.100 0.009 0.000 0.828 430 P CB 0.241 31.936 31.700 -0.008 0.000 0.783 431 R N -1.590 118.909 120.500 -0.002 0.000 2.152 431 R HA -0.111 4.239 4.340 0.016 0.000 0.232 431 R C 1.821 177.966 176.300 -0.258 0.000 1.117 431 R CA 1.329 57.352 56.100 -0.128 0.000 0.981 431 R CB -0.739 29.473 30.300 -0.146 0.000 0.870 431 R HN 0.339 nan 8.270 nan 0.000 0.451 432 W N 0.306 121.551 121.300 -0.091 0.000 3.290 432 W HA 0.125 4.794 4.660 0.015 0.000 0.287 432 W C 1.625 178.086 176.519 -0.096 0.000 1.288 432 W CA -0.457 56.834 57.345 -0.090 0.000 1.725 432 W CB -0.024 29.381 29.460 -0.091 0.000 1.103 432 W HN 0.023 nan 8.180 nan 0.000 0.670 433 L N 1.998 123.242 121.223 0.036 0.000 2.083 433 L HA -0.040 4.310 4.340 0.016 0.000 0.209 433 L C -0.753 176.081 176.870 -0.060 0.000 1.083 433 L CA 2.186 57.014 54.840 -0.020 0.000 0.752 433 L CB -1.580 40.457 42.059 -0.037 0.000 0.899 433 L HN -0.239 nan 8.230 nan 0.000 0.433 434 P HA -0.136 nan 4.420 nan 0.000 0.214 434 P C 1.654 178.899 177.300 -0.091 0.000 1.162 434 P CA 2.119 65.155 63.100 -0.105 0.000 0.879 434 P CB -0.224 31.405 31.700 -0.119 0.000 0.786 435 A N -0.799 121.978 122.820 -0.072 0.000 1.883 435 A HA -0.236 4.093 4.320 0.016 0.000 0.217 435 A C 2.267 179.864 177.584 0.021 0.000 1.186 435 A CA 2.244 54.274 52.037 -0.011 0.000 0.624 435 A CB -1.588 17.431 19.000 0.032 0.000 0.822 435 A HN 0.098 nan 8.150 nan 0.000 0.444 436 M N 0.280 119.906 119.600 0.044 0.000 2.117 436 M HA -0.165 4.324 4.480 0.016 0.000 0.262 436 M C 2.569 178.819 176.300 -0.083 0.000 1.065 436 M CA 1.834 57.137 55.300 0.005 0.000 1.114 436 M CB -0.461 32.123 32.600 -0.027 0.000 1.361 436 M HN 0.692 nan 8.290 nan 0.000 0.408 437 S N 0.378 115.999 115.700 -0.131 0.000 2.374 437 S HA -0.213 4.267 4.470 0.016 0.000 0.227 437 S C 1.596 176.023 174.600 -0.289 0.000 1.037 437 S CA 1.659 59.711 58.200 -0.246 0.000 1.024 437 S CB -0.681 62.351 63.200 -0.279 0.000 0.861 437 S HN 0.545 nan 8.310 nan 0.000 0.456 438 E N 0.980 121.063 120.200 -0.195 0.000 2.204 438 E HA -0.030 4.330 4.350 0.016 0.000 0.194 438 E C 2.395 178.909 176.600 -0.145 0.000 0.989 438 E CA 0.650 56.941 56.400 -0.182 0.000 0.824 438 E CB -0.123 29.509 29.700 -0.113 0.000 0.756 438 E HN 0.598 nan 8.360 nan 0.000 0.477 439 R N 0.181 120.626 120.500 -0.091 0.000 2.148 439 R HA -0.065 4.284 4.340 0.016 0.000 0.227 439 R C 2.171 178.428 176.300 -0.071 0.000 1.103 439 R CA 0.647 56.724 56.100 -0.037 0.000 0.983 439 R CB 0.057 30.375 30.300 0.031 0.000 0.874 439 R HN 0.023 nan 8.270 nan 0.000 0.451 440 V N 0.089 119.909 119.914 -0.156 0.000 2.436 440 V HA -0.159 3.971 4.120 0.016 0.000 0.240 440 V C 2.482 178.386 176.094 -0.316 0.000 1.040 440 V CA 2.047 64.230 62.300 -0.196 0.000 1.052 440 V CB -0.147 31.544 31.823 -0.221 0.000 0.707 440 V HN 0.481 nan 8.190 nan 0.000 0.469 441 T N -0.674 113.564 114.554 -0.526 0.000 2.746 441 T HA -0.242 4.117 4.350 0.016 0.000 0.267 441 T C 1.924 176.465 174.700 -0.266 0.000 1.039 441 T CA 1.415 63.110 62.100 -0.675 0.000 1.142 441 T CB -0.417 67.846 68.868 -1.009 0.000 0.866 441 T HN 0.384 nan 8.240 nan 0.000 0.444 442 R N 0.333 120.701 120.500 -0.220 0.000 2.189 442 R HA 0.199 4.549 4.340 0.016 0.000 0.223 442 R C 2.618 178.840 176.300 -0.130 0.000 1.092 442 R CA 1.293 57.303 56.100 -0.150 0.000 0.989 442 R CB -0.448 29.773 30.300 -0.132 0.000 0.876 442 R HN 0.533 nan 8.270 nan 0.000 0.457 443 M N 0.543 120.071 119.600 -0.120 0.000 2.123 443 M HA -0.120 4.370 4.480 0.016 0.000 0.263 443 M C 1.811 178.036 176.300 -0.126 0.000 1.069 443 M CA 1.622 56.883 55.300 -0.065 0.000 1.133 443 M CB 0.089 32.695 32.600 0.010 0.000 1.356 443 M HN -0.058 nan 8.290 nan 0.000 0.415 444 V N 1.341 121.066 119.914 -0.314 0.000 2.332 444 V HA -0.303 3.827 4.120 0.016 0.000 0.248 444 V C 2.340 178.327 176.094 -0.178 0.000 1.055 444 V CA 2.164 64.162 62.300 -0.504 0.000 1.038 444 V CB -1.124 30.335 31.823 -0.605 0.000 0.651 444 V HN 0.601 nan 8.190 nan 0.000 0.450 445 Q N -0.581 119.147 119.800 -0.120 0.000 2.135 445 Q HA -0.260 4.090 4.340 0.016 0.000 0.204 445 Q C 2.489 178.403 176.000 -0.142 0.000 0.981 445 Q CA 1.834 57.575 55.803 -0.104 0.000 0.856 445 Q CB -0.230 28.466 28.738 -0.070 0.000 0.902 445 Q HN 0.553 nan 8.270 nan 0.000 0.425 446 R N 0.270 120.679 120.500 -0.151 0.000 2.080 446 R HA -0.090 4.260 4.340 0.016 0.000 0.222 446 R C 0.522 176.746 176.300 -0.127 0.000 1.107 446 R CA 1.333 57.321 56.100 -0.187 0.000 0.980 446 R CB 0.410 30.598 30.300 -0.186 0.000 0.879 446 R HN 0.167 nan 8.270 nan 0.000 0.439 447 D N -0.189 120.203 120.400 -0.013 0.000 2.398 447 D HA -0.001 4.649 4.640 0.016 0.000 0.210 447 D C 1.236 177.643 176.300 0.179 0.000 1.094 447 D CA 0.064 54.111 54.000 0.078 0.000 0.839 447 D CB 0.270 41.061 40.800 -0.016 0.000 0.963 447 D HN 0.369 nan 8.370 nan 0.000 0.506 448 R N 0.662 121.275 120.500 0.188 0.000 2.293 448 R HA -0.002 4.348 4.340 0.016 0.000 0.219 448 R C 0.725 177.034 176.300 0.014 0.000 1.091 448 R CA 0.853 57.085 56.100 0.220 0.000 1.004 448 R CB -0.285 30.093 30.300 0.130 0.000 0.865 448 R HN -0.080 nan 8.270 nan 0.000 0.469 449 N N 0.290 118.918 118.700 -0.119 0.000 2.336 449 N HA 0.000 4.750 4.740 0.016 0.000 0.189 449 N C -0.492 174.877 175.510 -0.235 0.000 1.113 449 N CA 0.230 53.178 53.050 -0.170 0.000 0.858 449 N CB 0.103 38.479 38.487 -0.186 0.000 0.970 449 N HN 0.286 nan 8.380 nan 0.000 0.471 450 H N 1.546 120.562 119.070 -0.091 0.000 2.800 450 H HA 0.092 4.657 4.556 0.016 0.000 0.291 450 H C -1.165 174.018 175.328 -0.241 0.000 1.076 450 H CA -1.193 54.782 56.048 -0.121 0.000 1.452 450 H CB 1.426 31.147 29.762 -0.069 0.000 1.461 450 H HN 0.080 nan 8.280 nan 0.000 0.488 451 P HA -0.157 nan 4.420 nan 0.000 0.218 451 P C 1.454 178.262 177.300 -0.819 0.000 1.149 451 P CA 1.137 63.873 63.100 -0.607 0.000 0.817 451 P CB 0.293 31.411 31.700 -0.969 0.000 0.785 452 S N -0.537 114.803 115.700 -0.600 0.000 2.399 452 S HA -0.059 4.420 4.470 0.016 0.000 0.231 452 S C 1.148 175.730 174.600 -0.030 0.000 1.022 452 S CA 0.488 58.529 58.200 -0.265 0.000 0.983 452 S CB -1.613 61.596 63.200 0.015 0.000 0.803 452 S HN -0.047 nan 8.310 nan 0.000 0.480 453 V N 3.814 123.678 119.914 -0.083 0.000 2.421 453 V HA 0.203 4.332 4.120 0.016 0.000 0.271 453 V C 1.182 177.147 176.094 -0.216 0.000 1.031 453 V CA 0.114 62.331 62.300 -0.139 0.000 1.032 453 V CB 0.220 31.864 31.823 -0.298 0.000 1.009 453 V HN 0.639 nan 8.190 nan 0.000 0.477 454 I N 2.630 123.134 120.570 -0.109 0.000 3.939 454 I HA 0.501 4.680 4.170 0.016 0.000 0.313 454 I C 0.437 176.452 176.117 -0.169 0.000 1.274 454 I CA 0.600 61.844 61.300 -0.093 0.000 1.301 454 I CB 0.505 38.534 38.000 0.048 0.000 1.105 454 I HN 0.338 nan 8.210 nan 0.000 0.427 455 I N -0.078 120.372 120.570 -0.200 0.000 2.802 455 I HA 0.372 4.552 4.170 0.016 0.000 0.298 455 I C -1.545 174.467 176.117 -0.174 0.000 1.176 455 I CA -0.406 60.809 61.300 -0.142 0.000 1.025 455 I CB 2.234 40.248 38.000 0.023 0.000 1.243 455 I HN 0.016 nan 8.210 nan 0.000 0.424 456 W N 3.549 124.905 121.300 0.093 0.000 2.512 456 W HA 0.657 5.325 4.660 0.014 0.000 0.335 456 W C 0.287 176.877 176.519 0.119 0.000 1.088 456 W CA -0.613 56.792 57.345 0.100 0.000 1.236 456 W CB 1.705 31.219 29.460 0.090 0.000 1.307 456 W HN 0.299 nan 8.180 nan 0.000 0.567 457 S N 2.534 118.476 115.700 0.404 0.000 2.521 457 S HA 0.386 4.866 4.470 0.016 0.000 0.295 457 S C 0.200 174.970 174.600 0.283 0.000 1.098 457 S CA -0.717 57.669 58.200 0.310 0.000 0.999 457 S CB 0.860 64.200 63.200 0.234 0.000 1.034 457 S HN 0.582 nan 8.310 nan 0.000 0.483 458 L N 3.991 125.366 121.223 0.253 0.000 2.622 458 L HA 0.315 4.665 4.340 0.016 0.000 0.233 458 L C 1.444 178.363 176.870 0.082 0.000 1.156 458 L CA 0.591 55.491 54.840 0.099 0.000 0.866 458 L CB -1.267 40.739 42.059 -0.088 0.000 0.980 458 L HN 1.009 nan 8.230 nan 0.000 0.448 459 G N -0.036 108.912 108.800 0.248 0.000 2.265 459 G HA2 -0.124 3.845 3.960 0.016 0.000 0.246 459 G HA3 -0.124 3.845 3.960 0.016 0.000 0.246 459 G C -1.620 173.505 174.900 0.375 0.000 1.299 459 G CA -0.498 44.761 45.100 0.265 0.000 1.117 459 G HN 0.185 nan 8.290 nan 0.000 0.485 460 N N 0.035 118.902 118.700 0.279 0.000 2.405 460 N HA 0.474 5.223 4.740 0.016 0.000 0.274 460 N C -0.469 175.050 175.510 0.015 0.000 1.170 460 N CA 0.151 53.230 53.050 0.049 0.000 0.848 460 N CB 1.593 39.837 38.487 -0.404 0.000 1.629 460 N HN 0.909 nan 8.380 nan 0.000 0.481 461 E N 0.493 120.641 120.200 -0.086 0.000 2.149 461 E HA -0.176 4.184 4.350 0.016 0.000 0.191 461 E C -0.870 175.747 176.600 0.028 0.000 1.384 461 E CA 0.854 57.203 56.400 -0.084 0.000 0.698 461 E CB -1.370 28.221 29.700 -0.182 0.000 1.086 461 E HN 0.434 nan 8.360 nan 0.000 0.338 462 S N -0.004 115.808 115.700 0.187 0.000 2.902 462 S HA 0.425 4.904 4.470 0.016 0.000 0.250 462 S C 0.633 175.421 174.600 0.314 0.000 1.046 462 S CA -0.249 58.097 58.200 0.244 0.000 1.069 462 S CB 1.369 64.765 63.200 0.327 0.000 0.967 462 S HN 0.837 nan 8.310 nan 0.000 0.530 463 G N 1.968 110.883 108.800 0.193 0.000 2.598 463 G HA2 -0.272 3.698 3.960 0.016 0.000 0.269 463 G HA3 -0.272 3.698 3.960 0.016 0.000 0.269 463 G C -0.501 174.605 174.900 0.343 0.000 1.289 463 G CA -0.131 45.081 45.100 0.186 0.000 0.926 463 G HN 0.661 nan 8.290 nan 0.000 0.567 464 H N 0.525 119.724 119.070 0.215 0.000 2.860 464 H HA 0.561 5.127 4.556 0.017 0.000 0.312 464 H C 0.427 175.946 175.328 0.319 0.000 0.995 464 H CA -0.075 56.140 56.048 0.278 0.000 1.311 464 H CB 0.409 30.263 29.762 0.154 0.000 1.478 464 H HN 0.980 nan 8.280 nan 0.000 0.508 465 G N 1.460 110.382 108.800 0.204 0.000 2.568 465 G HA2 0.444 4.414 3.960 0.016 0.000 0.313 465 G HA3 0.444 4.414 3.960 0.016 0.000 0.313 465 G C 0.635 175.393 174.900 -0.235 0.000 1.227 465 G CA -0.138 44.889 45.100 -0.122 0.000 0.979 465 G HN 0.655 nan 8.290 nan 0.000 0.486 466 A N 0.181 122.901 122.820 -0.166 0.000 2.019 466 A HA -0.079 4.251 4.320 0.016 0.000 0.219 466 A C 2.123 179.679 177.584 -0.046 0.000 1.164 466 A CA 1.740 53.723 52.037 -0.090 0.000 0.644 466 A CB -0.419 18.552 19.000 -0.049 0.000 0.805 466 A HN 0.528 nan 8.150 nan 0.000 0.449 467 N N -0.165 118.470 118.700 -0.107 0.000 2.223 467 N HA -0.152 4.597 4.740 0.016 0.000 0.185 467 N C 1.369 176.809 175.510 -0.117 0.000 1.016 467 N CA 1.715 54.687 53.050 -0.130 0.000 0.863 467 N CB -0.652 37.713 38.487 -0.203 0.000 0.983 467 N HN 0.787 nan 8.380 nan 0.000 0.429 468 H N 0.203 119.265 119.070 -0.014 0.000 2.357 468 H HA -0.010 4.555 4.556 0.016 0.000 0.301 468 H C 1.253 176.666 175.328 0.142 0.000 1.082 468 H CA 1.174 57.233 56.048 0.018 0.000 1.342 468 H CB 0.181 29.992 29.762 0.081 0.000 1.389 468 H HN 0.174 nan 8.280 nan 0.000 0.511 469 D N 0.305 120.875 120.400 0.284 0.000 2.117 469 D HA -0.109 4.540 4.640 0.016 0.000 0.197 469 D C 2.276 178.732 176.300 0.260 0.000 0.987 469 D CA 1.160 55.328 54.000 0.280 0.000 0.829 469 D CB -0.314 40.612 40.800 0.210 0.000 0.961 469 D HN 0.424 nan 8.370 nan 0.000 0.460 470 A N 0.662 123.582 122.820 0.167 0.000 1.930 470 A HA -0.083 4.246 4.320 0.016 0.000 0.217 470 A C 2.389 180.078 177.584 0.175 0.000 1.175 470 A CA 0.793 52.918 52.037 0.146 0.000 0.627 470 A CB -0.645 18.398 19.000 0.072 0.000 0.815 470 A HN 0.189 nan 8.150 nan 0.000 0.443 471 L N -2.044 119.266 121.223 0.145 0.000 2.156 471 L HA -0.125 4.225 4.340 0.016 0.000 0.208 471 L C 2.553 179.553 176.870 0.216 0.000 1.095 471 L CA 1.434 56.355 54.840 0.135 0.000 0.770 471 L CB -0.658 41.414 42.059 0.022 0.000 0.914 471 L HN 0.625 nan 8.230 nan 0.000 0.439 472 Y N 1.328 121.714 120.300 0.144 0.000 2.128 472 Y HA -0.328 4.230 4.550 0.013 0.000 0.284 472 Y C 2.809 178.797 175.900 0.148 0.000 1.154 472 Y CA 1.816 60.006 58.100 0.150 0.000 1.149 472 Y CB -0.135 38.417 38.460 0.154 0.000 0.976 472 Y HN -0.032 nan 8.280 nan 0.000 0.505 473 R N -0.159 120.435 120.500 0.157 0.000 2.092 473 R HA -0.184 4.166 4.340 0.016 0.000 0.231 473 R C 2.027 178.330 176.300 0.004 0.000 1.119 473 R CA 1.799 57.921 56.100 0.036 0.000 0.970 473 R CB -1.390 29.024 30.300 0.190 0.000 0.864 473 R HN 0.652 nan 8.270 nan 0.000 0.440 474 W N 0.511 121.767 121.300 -0.075 0.000 2.338 474 W HA -0.150 4.519 4.660 0.016 0.000 0.304 474 W C 1.520 177.949 176.519 -0.151 0.000 1.212 474 W CA 1.943 59.232 57.345 -0.093 0.000 1.264 474 W CB -0.222 29.186 29.460 -0.086 0.000 1.142 474 W HN 0.093 nan 8.180 nan 0.000 0.512 475 I N 0.813 121.401 120.570 0.031 0.000 2.179 475 I HA -0.332 3.848 4.170 0.016 0.000 0.242 475 I C 2.429 178.368 176.117 -0.297 0.000 1.088 475 I CA 1.305 62.485 61.300 -0.200 0.000 1.357 475 I CB -0.678 37.255 38.000 -0.112 0.000 1.051 475 I HN -0.140 nan 8.210 nan 0.000 0.409 476 K N 0.528 120.753 120.400 -0.292 0.000 2.147 476 K HA -0.079 4.251 4.320 0.016 0.000 0.205 476 K C 2.239 178.713 176.600 -0.210 0.000 1.049 476 K CA 1.194 57.329 56.287 -0.253 0.000 0.936 476 K CB -0.388 31.928 32.500 -0.307 0.000 0.722 476 K HN 0.242 nan 8.250 nan 0.000 0.446 477 S N 0.548 116.091 115.700 -0.262 0.000 2.388 477 S HA -0.031 4.449 4.470 0.016 0.000 0.223 477 S C 2.107 176.501 174.600 -0.342 0.000 1.034 477 S CA 0.570 58.617 58.200 -0.254 0.000 0.963 477 S CB 0.026 63.069 63.200 -0.262 0.000 0.827 477 S HN -0.014 nan 8.310 nan 0.000 0.481 478 V N 1.264 120.833 119.914 -0.576 0.000 2.667 478 V HA 0.005 4.134 4.120 0.016 0.000 0.252 478 V C 0.432 176.298 176.094 -0.380 0.000 1.065 478 V CA 1.246 63.176 62.300 -0.617 0.000 1.083 478 V CB -0.183 30.906 31.823 -1.223 0.000 0.692 478 V HN 0.366 nan 8.190 nan 0.000 0.468 479 D N -1.375 118.862 120.400 -0.272 0.000 2.472 479 D HA 0.242 4.892 4.640 0.016 0.000 0.248 479 D C -2.264 174.031 176.300 -0.009 0.000 1.271 479 D CA -1.513 52.433 54.000 -0.089 0.000 0.888 479 D CB 1.454 42.295 40.800 0.068 0.000 1.337 479 D HN 0.093 nan 8.370 nan 0.000 0.526 480 P HA -0.047 nan 4.420 nan 0.000 0.239 480 P C 1.191 178.515 177.300 0.040 0.000 1.184 480 P CA 0.558 63.657 63.100 -0.003 0.000 0.760 480 P CB 0.121 31.813 31.700 -0.012 0.000 0.884 481 S N -1.559 114.175 115.700 0.056 0.000 2.489 481 S HA 0.050 4.529 4.470 0.016 0.000 0.228 481 S C 0.889 175.518 174.600 0.049 0.000 0.995 481 S CA 0.036 58.272 58.200 0.059 0.000 0.934 481 S CB -0.319 62.909 63.200 0.048 0.000 0.771 481 S HN 0.072 nan 8.310 nan 0.000 0.522 482 R N 1.124 121.667 120.500 0.071 0.000 2.628 482 R HA 0.557 4.906 4.340 0.016 0.000 0.288 482 R C -3.200 173.151 176.300 0.085 0.000 0.980 482 R CA -2.263 53.843 56.100 0.009 0.000 0.891 482 R CB 1.499 31.679 30.300 -0.199 0.000 1.188 482 R HN 0.135 nan 8.270 nan 0.000 0.450 483 P HA 0.071 nan 4.420 nan 0.000 0.272 483 P C -0.801 176.608 177.300 0.181 0.000 1.230 483 P CA -0.342 62.827 63.100 0.114 0.000 0.788 483 P CB 0.675 32.428 31.700 0.088 0.000 0.949 484 V N 2.339 122.393 119.914 0.233 0.000 2.513 484 V HA 0.416 4.546 4.120 0.016 0.000 0.299 484 V C 0.209 176.495 176.094 0.321 0.000 1.035 484 V CA -0.283 62.202 62.300 0.308 0.000 0.889 484 V CB 1.222 33.203 31.823 0.264 0.000 0.988 484 V HN 0.603 nan 8.190 nan 0.000 0.440 485 Q N 3.547 123.519 119.800 0.286 0.000 2.433 485 Q HA 0.802 5.151 4.340 0.016 0.000 0.279 485 Q C -1.845 174.331 176.000 0.293 0.000 1.105 485 Q CA -0.945 54.994 55.803 0.227 0.000 0.815 485 Q CB 2.954 31.773 28.738 0.134 0.000 1.403 485 Q HN 0.633 nan 8.270 nan 0.000 0.435 486 Y N 0.256 120.579 120.300 0.039 0.000 2.376 486 Y HA 0.148 4.706 4.550 0.015 0.000 0.321 486 Y C -0.534 175.323 175.900 -0.072 0.000 1.189 486 Y CA -0.758 57.336 58.100 -0.011 0.000 1.069 486 Y CB 2.071 40.516 38.460 -0.023 0.000 1.292 486 Y HN 0.944 nan 8.280 nan 0.000 0.430 487 E N 3.415 123.124 120.200 -0.818 0.000 2.318 487 E HA 0.143 4.503 4.350 0.016 0.000 0.193 487 E C 0.631 176.809 176.600 -0.703 0.000 0.998 487 E CA 0.741 56.782 56.400 -0.598 0.000 0.859 487 E CB 0.223 29.720 29.700 -0.337 0.000 0.812 487 E HN 0.882 nan 8.360 nan 0.000 0.492 488 G N -0.004 107.998 108.800 -1.330 0.000 2.474 488 G HA2 0.229 4.199 3.960 0.016 0.000 0.233 488 G HA3 0.229 4.199 3.960 0.016 0.000 0.233 488 G C 0.814 175.585 174.900 -0.216 0.000 1.278 488 G CA 0.323 45.046 45.100 -0.628 0.000 0.861 488 G HN 0.377 nan 8.290 nan 0.000 0.567 489 G N -0.432 108.346 108.800 -0.036 0.000 2.160 489 G HA2 0.231 4.200 3.960 0.016 0.000 0.251 489 G HA3 0.231 4.200 3.960 0.016 0.000 0.251 489 G C 1.259 176.176 174.900 0.029 0.000 1.008 489 G CA 0.997 46.136 45.100 0.066 0.000 0.724 489 G HN 2.621 nan 8.290 nan 0.000 0.514 490 G N -1.623 107.185 108.800 0.014 0.000 2.205 490 G HA2 0.429 4.399 3.960 0.016 0.000 0.180 490 G HA3 0.429 4.399 3.960 0.016 0.000 0.180 490 G C 1.081 176.101 174.900 0.200 0.000 1.004 490 G CA 1.283 46.448 45.100 0.109 0.000 0.670 490 G HN 2.338 nan 8.290 nan 0.000 0.496 491 A N -0.226 122.602 122.820 0.013 0.000 3.413 491 A HA -0.120 4.209 4.320 0.016 0.000 0.268 491 A C 1.086 178.614 177.584 -0.093 0.000 1.128 491 A CA 2.672 54.659 52.037 -0.083 0.000 1.062 491 A CB -1.770 17.174 19.000 -0.093 0.000 1.121 491 A HN 2.110 nan 8.150 nan 0.000 0.895 492 D N -1.103 119.322 120.400 0.042 0.000 2.692 492 D HA 0.312 4.961 4.640 0.016 0.000 0.290 492 D C 0.413 176.716 176.300 0.005 0.000 1.455 492 D CA 0.793 54.821 54.000 0.046 0.000 0.796 492 D CB -1.168 39.803 40.800 0.286 0.000 1.131 492 D HN 0.826 nan 8.370 nan 0.000 0.467 493 T N -2.218 112.273 114.554 -0.105 0.000 2.667 493 T HA 0.183 4.543 4.350 0.016 0.000 0.305 493 T C 1.537 176.105 174.700 -0.220 0.000 1.022 493 T CA 0.488 62.456 62.100 -0.220 0.000 0.995 493 T CB 0.765 69.279 68.868 -0.589 0.000 1.026 493 T HN 0.096 nan 8.240 nan 0.000 0.527 494 T N -2.585 111.834 114.554 -0.224 0.000 3.160 494 T HA 0.297 4.657 4.350 0.016 0.000 0.257 494 T C 1.401 175.849 174.700 -0.421 0.000 1.147 494 T CA 0.136 62.113 62.100 -0.206 0.000 1.064 494 T CB -0.449 68.383 68.868 -0.061 0.000 0.949 494 T HN 0.830 nan 8.240 nan 0.000 0.526 495 A N 0.518 123.105 122.820 -0.389 0.000 2.460 495 A HA 0.533 4.862 4.320 0.016 0.000 0.258 495 A C 0.771 178.205 177.584 -0.250 0.000 1.300 495 A CA -0.334 51.472 52.037 -0.384 0.000 0.913 495 A CB 0.082 19.121 19.000 0.065 0.000 1.031 495 A HN 0.436 nan 8.150 nan 0.000 0.512 496 T N -1.686 112.709 114.554 -0.264 0.000 2.933 496 T HA 0.385 4.745 4.350 0.016 0.000 0.305 496 T C -0.777 173.937 174.700 0.023 0.000 1.092 496 T CA -0.414 61.686 62.100 -0.000 0.000 1.008 496 T CB 1.386 70.253 68.868 -0.002 0.000 1.102 496 T HN 0.042 nan 8.240 nan 0.000 0.469 497 D N 2.567 123.064 120.400 0.163 0.000 2.350 497 D HA 0.319 4.969 4.640 0.016 0.000 0.213 497 D C 0.241 176.573 176.300 0.054 0.000 1.031 497 D CA 0.605 54.688 54.000 0.139 0.000 0.861 497 D CB 0.411 41.334 40.800 0.204 0.000 0.926 497 D HN 0.530 nan 8.370 nan 0.000 0.520 498 I N 0.786 121.370 120.570 0.022 0.000 2.582 498 I HA 0.255 4.435 4.170 0.016 0.000 0.292 498 I C -0.291 175.761 176.117 -0.108 0.000 1.066 498 I CA -0.892 60.386 61.300 -0.036 0.000 1.053 498 I CB 2.966 40.957 38.000 -0.014 0.000 1.241 498 I HN -0.354 nan 8.210 nan 0.000 0.421 499 I N 5.558 126.014 120.570 -0.189 0.000 2.494 499 I HA 0.048 4.228 4.170 0.016 0.000 0.289 499 I C 0.119 176.022 176.117 -0.357 0.000 1.106 499 I CA 0.067 61.153 61.300 -0.357 0.000 1.369 499 I CB 0.118 37.788 38.000 -0.550 0.000 1.410 499 I HN 0.669 nan 8.210 nan 0.000 0.523 500 C N 5.664 124.776 119.300 -0.312 0.000 3.401 500 C HA 0.452 4.922 4.460 0.016 0.000 0.204 500 C C -2.125 172.739 174.990 -0.210 0.000 1.522 500 C CA -2.293 56.596 59.018 -0.214 0.000 1.409 500 C CB -0.965 26.713 27.740 -0.103 0.000 1.967 500 C HN 0.410 nan 8.230 nan 0.000 0.496 501 P HA 0.259 nan 4.420 nan 0.000 0.271 501 P C -0.422 176.834 177.300 -0.074 0.000 1.233 501 P CA 0.480 63.492 63.100 -0.147 0.000 0.789 501 P CB 0.725 32.354 31.700 -0.119 0.000 0.951 502 M N 0.099 119.681 119.600 -0.030 0.000 2.243 502 M HA 0.441 4.930 4.480 0.016 0.000 0.324 502 M C -0.718 175.552 176.300 -0.050 0.000 1.031 502 M CA -0.678 54.492 55.300 -0.216 0.000 0.949 502 M CB 1.306 33.771 32.600 -0.225 0.000 1.615 502 M HN 0.336 nan 8.290 nan 0.000 0.430 503 Y N -0.331 120.143 120.300 0.291 0.000 4.668 503 Y HA -0.235 4.326 4.550 0.017 0.000 0.234 503 Y C 0.624 176.704 175.900 0.301 0.000 1.056 503 Y CA 0.438 58.714 58.100 0.294 0.000 2.025 503 Y CB -2.237 36.371 38.460 0.246 0.000 1.613 503 Y HN 0.989 nan 8.280 nan 0.000 0.653 504 A N 1.255 124.289 122.820 0.357 0.000 2.462 504 A HA 0.533 4.863 4.320 0.016 0.000 0.243 504 A C 0.740 178.541 177.584 0.362 0.000 1.076 504 A CA -0.296 51.958 52.037 0.362 0.000 0.773 504 A CB 0.367 19.620 19.000 0.420 0.000 1.010 504 A HN 0.422 nan 8.150 nan 0.000 0.493 505 R N 1.317 121.960 120.500 0.238 0.000 2.553 505 R HA 0.377 4.727 4.340 0.016 0.000 0.263 505 R C 1.031 177.303 176.300 -0.047 0.000 1.066 505 R CA -0.791 55.379 56.100 0.116 0.000 1.135 505 R CB 0.623 30.959 30.300 0.061 0.000 1.148 505 R HN 0.461 nan 8.270 nan 0.000 0.558 506 V N 0.642 120.369 119.914 -0.311 0.000 2.244 506 V HA -0.224 3.906 4.120 0.016 0.000 0.244 506 V C 1.011 176.993 176.094 -0.186 0.000 1.042 506 V CA 1.902 63.983 62.300 -0.366 0.000 1.006 506 V CB -0.278 31.203 31.823 -0.570 0.000 0.641 506 V HN 0.747 nan 8.190 nan 0.000 0.446 507 D N -1.428 118.893 120.400 -0.131 0.000 2.455 507 D HA 0.093 4.742 4.640 0.016 0.000 0.228 507 D C 0.979 177.264 176.300 -0.025 0.000 1.070 507 D CA 0.085 54.043 54.000 -0.070 0.000 0.881 507 D CB 0.558 41.321 40.800 -0.062 0.000 1.087 507 D HN 0.499 nan 8.370 nan 0.000 0.498 508 E N 2.002 122.190 120.200 -0.020 0.000 2.167 508 E HA 0.090 4.450 4.350 0.016 0.000 0.284 508 E C -0.778 175.821 176.600 -0.002 0.000 1.016 508 E CA -0.582 55.814 56.400 -0.006 0.000 0.817 508 E CB 0.840 30.538 29.700 -0.005 0.000 1.080 508 E HN -0.154 nan 8.360 nan 0.000 0.397 509 D N 3.812 124.216 120.400 0.006 0.000 2.339 509 D HA 0.098 4.748 4.640 0.016 0.000 0.245 509 D C -0.469 175.722 176.300 -0.181 0.000 1.115 509 D CA 0.220 54.215 54.000 -0.008 0.000 0.917 509 D CB 1.128 42.012 40.800 0.140 0.000 1.192 509 D HN 0.450 nan 8.370 nan 0.000 0.428 510 Q N 1.382 120.938 119.800 -0.407 0.000 2.798 510 Q HA 0.233 4.582 4.340 0.016 0.000 0.250 510 Q C -2.204 173.103 176.000 -1.156 0.000 1.006 510 Q CA -1.524 53.808 55.803 -0.786 0.000 0.759 510 Q CB 2.143 30.373 28.738 -0.846 0.000 1.201 510 Q HN 0.173 nan 8.270 nan 0.000 0.486 511 P HA -0.011 nan 4.420 nan 0.000 0.225 511 P C -0.623 176.364 177.300 -0.521 0.000 1.768 511 P CA -0.072 62.590 63.100 -0.729 0.000 0.943 511 P CB -0.663 30.849 31.700 -0.312 0.000 1.936 512 F N 1.708 121.484 119.950 -0.289 0.000 2.602 512 F HA 0.111 4.647 4.527 0.016 0.000 0.367 512 F C -1.113 174.582 175.800 -0.176 0.000 1.126 512 F CA -2.213 55.674 58.000 -0.187 0.000 1.321 512 F CB -0.735 38.169 39.000 -0.160 0.000 1.094 512 F HN 0.056 nan 8.300 nan 0.000 0.594 513 P HA 0.053 nan 4.420 nan 0.000 0.267 513 P C 0.375 177.689 177.300 0.023 0.000 1.200 513 P CA 1.047 64.162 63.100 0.026 0.000 0.772 513 P CB 0.985 32.700 31.700 0.025 0.000 0.855 514 A N 2.496 125.323 122.820 0.011 0.000 2.621 514 A HA -0.263 4.067 4.320 0.016 0.000 0.235 514 A C 0.787 178.379 177.584 0.014 0.000 0.477 514 A CA 2.262 54.311 52.037 0.020 0.000 1.115 514 A CB -2.700 16.314 19.000 0.023 0.000 1.400 514 A HN 0.698 nan 8.150 nan 0.000 0.691 515 V N -3.186 116.732 119.914 0.008 0.000 2.562 515 V HA 0.544 4.674 4.120 0.016 0.000 0.274 515 V C -2.343 173.736 176.094 -0.025 0.000 1.075 515 V CA -1.315 60.990 62.300 0.008 0.000 1.204 515 V CB 0.504 32.344 31.823 0.029 0.000 1.478 515 V HN 0.473 nan 8.190 nan 0.000 0.622 516 P HA 0.215 nan 4.420 nan 0.000 0.269 516 P C -0.544 176.296 177.300 -0.766 0.000 1.215 516 P CA 0.241 62.921 63.100 -0.700 0.000 0.780 516 P CB 0.904 31.712 31.700 -1.487 0.000 0.898 517 K N 2.376 122.366 120.400 -0.682 0.000 2.419 517 K HA 0.195 4.524 4.320 0.016 0.000 0.244 517 K C -0.408 175.858 176.600 -0.556 0.000 1.045 517 K CA -0.256 55.831 56.287 -0.334 0.000 1.004 517 K CB 0.333 32.893 32.500 0.099 0.000 1.376 517 K HN 0.480 nan 8.250 nan 0.000 0.460 518 W N 1.319 122.277 121.300 -0.570 0.000 2.126 518 W HA 0.040 4.711 4.660 0.018 0.000 0.346 518 W C 1.356 177.868 176.519 -0.012 0.000 1.279 518 W CA -0.411 56.706 57.345 -0.381 0.000 1.259 518 W CB 0.492 29.573 29.460 -0.631 0.000 1.133 518 W HN 0.372 nan 8.180 nan 0.000 0.592 519 S N 3.057 118.914 115.700 0.261 0.000 2.573 519 S HA -0.104 4.376 4.470 0.016 0.000 0.297 519 S C 1.149 175.897 174.600 0.247 0.000 1.280 519 S CA -0.066 58.232 58.200 0.163 0.000 1.061 519 S CB 0.157 63.407 63.200 0.083 0.000 0.812 519 S HN 0.494 nan 8.310 nan 0.000 0.500 520 I N 2.112 122.787 120.570 0.174 0.000 2.493 520 I HA -0.080 4.099 4.170 0.016 0.000 0.254 520 I C 2.025 178.166 176.117 0.040 0.000 1.160 520 I CA 1.057 62.468 61.300 0.185 0.000 1.445 520 I CB -0.381 37.668 38.000 0.082 0.000 1.086 520 I HN 0.569 nan 8.210 nan 0.000 0.433 521 K N 1.674 121.992 120.400 -0.136 0.000 2.097 521 K HA -0.157 4.173 4.320 0.016 0.000 0.205 521 K C 2.283 178.879 176.600 -0.008 0.000 1.050 521 K CA 1.652 57.769 56.287 -0.284 0.000 0.938 521 K CB -0.169 32.095 32.500 -0.393 0.000 0.718 521 K HN 0.372 nan 8.250 nan 0.000 0.442 522 K N 0.034 120.456 120.400 0.036 0.000 2.062 522 K HA -0.169 4.161 4.320 0.016 0.000 0.205 522 K C 1.901 178.537 176.600 0.060 0.000 1.051 522 K CA 0.894 57.193 56.287 0.019 0.000 0.941 522 K CB -0.102 32.373 32.500 -0.041 0.000 0.719 522 K HN 0.203 nan 8.250 nan 0.000 0.440 523 W N 2.191 123.485 121.300 -0.009 0.000 2.321 523 W HA -0.199 4.468 4.660 0.012 0.000 0.306 523 W C 1.637 178.148 176.519 -0.013 0.000 1.217 523 W CA 1.230 58.586 57.345 0.018 0.000 1.257 523 W CB -0.665 28.883 29.460 0.147 0.000 1.145 523 W HN 0.098 nan 8.180 nan 0.000 0.509 524 L N 0.832 122.222 121.223 0.279 0.000 2.079 524 L HA -0.250 4.100 4.340 0.016 0.000 0.210 524 L C 2.273 179.215 176.870 0.120 0.000 1.081 524 L CA 1.970 56.902 54.840 0.154 0.000 0.752 524 L CB -1.053 41.082 42.059 0.126 0.000 0.896 524 L HN -0.025 nan 8.230 nan 0.000 0.433 525 S N -1.271 114.487 115.700 0.097 0.000 2.597 525 S HA 0.258 4.738 4.470 0.016 0.000 0.224 525 S C 0.562 175.157 174.600 -0.007 0.000 0.955 525 S CA -0.511 57.715 58.200 0.043 0.000 0.933 525 S CB -0.498 62.725 63.200 0.038 0.000 0.788 525 S HN 0.157 nan 8.310 nan 0.000 0.488 526 L N 1.972 123.187 121.223 -0.013 0.000 2.483 526 L HA 0.251 4.601 4.340 0.016 0.000 0.276 526 L C -2.242 174.604 176.870 -0.040 0.000 1.213 526 L CA -1.884 52.902 54.840 -0.090 0.000 0.843 526 L CB -0.332 41.646 42.059 -0.134 0.000 1.107 526 L HN 0.003 nan 8.230 nan 0.000 0.487 527 P HA -0.039 nan 4.420 nan 0.000 0.258 527 P C 0.749 178.046 177.300 -0.005 0.000 1.172 527 P CA 1.126 64.207 63.100 -0.031 0.000 0.762 527 P CB 0.453 32.129 31.700 -0.040 0.000 0.764 528 G N 1.982 110.786 108.800 0.006 0.000 2.205 528 G HA2 -0.277 3.692 3.960 0.016 0.000 0.261 528 G HA3 -0.277 3.692 3.960 0.016 0.000 0.261 528 G C 0.286 175.206 174.900 0.032 0.000 0.980 528 G CA 0.081 45.192 45.100 0.019 0.000 0.632 528 G HN 0.609 nan 8.290 nan 0.000 0.533 529 E N 1.111 121.337 120.200 0.043 0.000 2.344 529 E HA 0.568 4.928 4.350 0.016 0.000 0.270 529 E C 1.445 178.073 176.600 0.047 0.000 1.021 529 E CA 0.794 57.233 56.400 0.064 0.000 0.887 529 E CB 0.777 30.545 29.700 0.114 0.000 0.997 529 E HN 0.551 nan 8.360 nan 0.000 0.429 530 T N 0.645 115.222 114.554 0.039 0.000 3.009 530 T HA 0.306 4.665 4.350 0.016 0.000 0.267 530 T C 0.611 175.321 174.700 0.018 0.000 0.942 530 T CA -0.421 61.695 62.100 0.028 0.000 0.883 530 T CB 0.096 68.980 68.868 0.026 0.000 1.192 530 T HN 0.258 nan 8.240 nan 0.000 0.524 531 R N 2.461 122.967 120.500 0.009 0.000 2.707 531 R HA 0.422 4.771 4.340 0.016 0.000 0.270 531 R C -2.466 173.813 176.300 -0.035 0.000 1.083 531 R CA -1.664 54.429 56.100 -0.011 0.000 1.182 531 R CB 0.005 30.290 30.300 -0.024 0.000 1.084 531 R HN 0.270 nan 8.270 nan 0.000 0.528 532 P HA 0.114 nan 4.420 nan 0.000 0.276 532 P C -1.084 176.141 177.300 -0.124 0.000 1.252 532 P CA -0.197 62.860 63.100 -0.072 0.000 0.802 532 P CB 0.724 32.382 31.700 -0.069 0.000 1.035 533 L N 1.921 123.049 121.223 -0.159 0.000 2.376 533 L HA 0.581 4.931 4.340 0.016 0.000 0.275 533 L C -1.101 175.618 176.870 -0.252 0.000 0.987 533 L CA -0.633 54.071 54.840 -0.228 0.000 0.828 533 L CB 0.757 42.672 42.059 -0.240 0.000 1.249 533 L HN 0.223 nan 8.230 nan 0.000 0.409 534 I N 5.743 126.173 120.570 -0.233 0.000 2.497 534 I HA 0.248 4.428 4.170 0.016 0.000 0.284 534 I C -0.777 175.247 176.117 -0.155 0.000 1.060 534 I CA -0.522 60.630 61.300 -0.247 0.000 1.071 534 I CB 1.887 39.797 38.000 -0.149 0.000 1.216 534 I HN 0.464 nan 8.210 nan 0.000 0.442 535 L N 5.537 126.640 121.223 -0.201 0.000 2.499 535 L HA -0.004 4.346 4.340 0.016 0.000 0.273 535 L C 1.526 178.469 176.870 0.123 0.000 1.195 535 L CA -0.027 54.764 54.840 -0.082 0.000 0.882 535 L CB 0.441 42.435 42.059 -0.109 0.000 1.133 535 L HN 0.849 nan 8.230 nan 0.000 0.483 536 C N 0.000 119.358 119.300 0.096 0.000 2.468 536 C HA 0.157 4.627 4.460 0.016 0.000 0.277 536 C C 0.563 175.709 174.990 0.260 0.000 1.400 536 C CA -0.217 58.912 59.018 0.185 0.000 1.770 536 C CB -1.110 26.658 27.740 0.046 0.000 1.905 536 C HN 0.824 nan 8.230 nan 0.000 0.519 537 E N -0.571 119.711 120.200 0.136 0.000 2.304 537 E HA 0.605 4.965 4.350 0.016 0.000 0.277 537 E C -1.353 175.202 176.600 -0.075 0.000 0.898 537 E CA -0.386 56.080 56.400 0.111 0.000 0.764 537 E CB 1.824 31.456 29.700 -0.113 0.000 1.216 537 E HN 0.693 nan 8.360 nan 0.000 0.419 538 Y N -1.165 119.141 120.300 0.010 0.000 2.725 538 Y HA 0.642 5.202 4.550 0.018 0.000 0.333 538 Y C -0.637 175.438 175.900 0.290 0.000 1.242 538 Y CA -0.961 57.144 58.100 0.010 0.000 1.059 538 Y CB 0.894 39.219 38.460 -0.224 0.000 1.306 538 Y HN 0.653 nan 8.280 nan 0.000 0.454 539 A N 1.846 124.739 122.820 0.120 0.000 2.303 539 A HA -0.272 4.058 4.320 0.016 0.000 0.286 539 A C -0.332 177.380 177.584 0.213 0.000 1.429 539 A CA 1.081 53.179 52.037 0.102 0.000 0.738 539 A CB -2.463 16.510 19.000 -0.045 0.000 1.149 539 A HN 1.061 nan 8.150 nan 0.000 0.364 540 H N 0.779 120.007 119.070 0.262 0.000 3.253 540 H HA 0.252 4.817 4.556 0.016 0.000 0.250 540 H C 1.094 176.476 175.328 0.090 0.000 1.051 540 H CA 0.849 57.058 56.048 0.268 0.000 1.458 540 H CB 0.258 30.045 29.762 0.040 0.000 1.549 540 H HN 0.792 nan 8.280 nan 0.000 0.506 541 A N 6.714 129.450 122.820 -0.140 0.000 3.019 541 A HA 0.061 4.391 4.320 0.016 0.000 0.262 541 A C 0.924 178.321 177.584 -0.313 0.000 1.509 541 A CA -0.428 51.482 52.037 -0.211 0.000 1.159 541 A CB -0.666 18.210 19.000 -0.207 0.000 1.042 541 A HN 0.810 nan 8.150 nan 0.000 0.641 542 M N 1.607 121.025 119.600 -0.303 0.000 2.220 542 M HA 0.425 4.915 4.480 0.016 0.000 0.343 542 M C 1.018 177.083 176.300 -0.392 0.000 1.470 542 M CA 1.296 56.407 55.300 -0.316 0.000 1.161 542 M CB -0.342 32.166 32.600 -0.152 0.000 1.737 542 M HN 0.850 nan 8.290 nan 0.000 0.464 543 G N 4.405 112.900 108.800 -0.507 0.000 2.574 543 G HA2 -0.353 3.617 3.960 0.016 0.000 0.286 543 G HA3 -0.353 3.617 3.960 0.016 0.000 0.286 543 G C -0.181 174.126 174.900 -0.988 0.000 1.212 543 G CA 0.143 44.794 45.100 -0.750 0.000 0.979 543 G HN 0.857 nan 8.290 nan 0.000 0.557 544 N N 1.269 119.259 118.700 -1.184 0.000 2.466 544 N HA 0.495 5.245 4.740 0.016 0.000 0.263 544 N C -0.012 175.203 175.510 -0.492 0.000 1.178 544 N CA 1.066 53.612 53.050 -0.840 0.000 0.983 544 N CB 0.486 38.480 38.487 -0.823 0.000 1.331 544 N HN 0.805 nan 8.380 nan 0.000 0.500 545 S N 2.131 117.618 115.700 -0.354 0.000 2.903 545 S HA 0.619 5.098 4.470 0.016 0.000 0.314 545 S C -0.035 174.473 174.600 -0.155 0.000 1.177 545 S CA -0.361 57.699 58.200 -0.234 0.000 0.859 545 S CB 0.204 63.279 63.200 -0.208 0.000 1.265 545 S HN 0.380 nan 8.310 nan 0.000 0.584 546 L N 0.100 121.273 121.223 -0.083 0.000 4.793 546 L HA -0.061 4.289 4.340 0.016 0.000 0.404 546 L C 0.548 177.451 176.870 0.055 0.000 1.022 546 L CA 0.908 55.734 54.840 -0.023 0.000 1.242 546 L CB -1.760 40.208 42.059 -0.151 0.000 2.049 546 L HN 0.743 nan 8.230 nan 0.000 0.637 547 G N -0.690 108.107 108.800 -0.005 0.000 2.340 547 G HA2 0.466 4.435 3.960 0.016 0.000 0.245 547 G HA3 0.466 4.435 3.960 0.016 0.000 0.245 547 G C 1.233 176.172 174.900 0.065 0.000 1.294 547 G CA 0.198 45.275 45.100 -0.038 0.000 0.896 547 G HN 1.418 nan 8.290 nan 0.000 0.522 548 G N 1.678 110.515 108.800 0.061 0.000 2.143 548 G HA2 -0.316 3.654 3.960 0.016 0.000 0.249 548 G HA3 -0.316 3.654 3.960 0.016 0.000 0.249 548 G C 0.951 176.039 174.900 0.313 0.000 0.981 548 G CA 0.740 45.935 45.100 0.159 0.000 0.665 548 G HN 0.810 nan 8.290 nan 0.000 0.528 549 F N 1.704 121.781 119.950 0.212 0.000 2.126 549 F HA 0.145 4.683 4.527 0.017 0.000 0.299 549 F C 2.615 178.637 175.800 0.368 0.000 1.096 549 F CA 2.345 60.547 58.000 0.336 0.000 1.255 549 F CB -0.449 38.677 39.000 0.210 0.000 0.997 549 F HN 0.349 nan 8.300 nan 0.000 0.479 550 A N -0.306 122.680 122.820 0.277 0.000 2.070 550 A HA -0.228 4.101 4.320 0.016 0.000 0.220 550 A C 2.294 179.903 177.584 0.042 0.000 1.159 550 A CA 1.680 53.811 52.037 0.156 0.000 0.656 550 A CB -0.810 18.287 19.000 0.161 0.000 0.800 550 A HN 0.464 nan 8.150 nan 0.000 0.453 551 K N -1.598 118.814 120.400 0.019 0.000 2.097 551 K HA -0.163 4.166 4.320 0.016 0.000 0.205 551 K C 1.678 178.065 176.600 -0.354 0.000 1.050 551 K CA 1.514 57.728 56.287 -0.121 0.000 0.938 551 K CB -0.300 32.135 32.500 -0.109 0.000 0.718 551 K HN 0.560 nan 8.250 nan 0.000 0.442 552 Y N -0.656 119.383 120.300 -0.435 0.000 2.114 552 Y HA -0.243 4.316 4.550 0.015 0.000 0.284 552 Y C 2.031 176.968 175.900 -1.605 0.000 1.143 552 Y CA 1.678 59.162 58.100 -1.027 0.000 1.135 552 Y CB -0.388 37.443 38.460 -1.048 0.000 0.980 552 Y HN 0.167 nan 8.280 nan 0.000 0.499 553 W N 0.280 121.120 121.300 -0.766 0.000 2.338 553 W HA -0.247 4.424 4.660 0.018 0.000 0.304 553 W C 2.702 179.024 176.519 -0.328 0.000 1.212 553 W CA 1.964 58.978 57.345 -0.552 0.000 1.264 553 W CB -0.827 28.415 29.460 -0.364 0.000 1.142 553 W HN 0.127 nan 8.180 nan 0.000 0.512 554 Q N 0.294 120.014 119.800 -0.132 0.000 2.124 554 Q HA -0.188 4.162 4.340 0.016 0.000 0.202 554 Q C 2.240 178.187 176.000 -0.088 0.000 0.977 554 Q CA 2.056 57.820 55.803 -0.064 0.000 0.850 554 Q CB -0.360 28.352 28.738 -0.042 0.000 0.901 554 Q HN 0.212 nan 8.270 nan 0.000 0.429 555 A N 0.338 123.017 122.820 -0.235 0.000 1.855 555 A HA -0.124 4.206 4.320 0.016 0.000 0.215 555 A C 1.871 179.438 177.584 -0.028 0.000 1.191 555 A CA 1.196 53.124 52.037 -0.182 0.000 0.613 555 A CB -1.112 17.660 19.000 -0.379 0.000 0.829 555 A HN 0.569 nan 8.150 nan 0.000 0.442 556 F N -0.348 119.425 119.950 -0.295 0.000 2.120 556 F HA -0.262 4.275 4.527 0.016 0.000 0.300 556 F C 2.812 178.520 175.800 -0.155 0.000 1.095 556 F CA 1.275 59.076 58.000 -0.331 0.000 1.249 556 F CB -0.202 38.384 39.000 -0.690 0.000 0.995 556 F HN 0.182 nan 8.300 nan 0.000 0.480 557 R N 0.047 120.610 120.500 0.104 0.000 2.092 557 R HA -0.177 4.172 4.340 0.016 0.000 0.231 557 R C 2.147 178.486 176.300 0.066 0.000 1.119 557 R CA 1.292 57.435 56.100 0.072 0.000 0.970 557 R CB -0.438 29.899 30.300 0.062 0.000 0.864 557 R HN 0.376 nan 8.270 nan 0.000 0.440 558 Q N -0.296 119.568 119.800 0.108 0.000 2.172 558 Q HA -0.079 4.270 4.340 0.016 0.000 0.200 558 Q C -0.462 175.565 176.000 0.044 0.000 0.964 558 Q CA 0.977 56.834 55.803 0.090 0.000 0.855 558 Q CB 0.346 29.164 28.738 0.134 0.000 0.918 558 Q HN 0.201 nan 8.270 nan 0.000 0.444 559 Y N 0.230 120.515 120.300 -0.025 0.000 2.385 559 Y HA 0.263 4.822 4.550 0.014 0.000 0.341 559 Y C -1.769 174.106 175.900 -0.041 0.000 0.965 559 Y CA -2.828 55.256 58.100 -0.027 0.000 1.180 559 Y CB 1.426 39.874 38.460 -0.020 0.000 1.139 559 Y HN 0.122 nan 8.280 nan 0.000 0.502 560 P HA -0.198 nan 4.420 nan 0.000 0.216 560 P C 1.115 178.418 177.300 0.006 0.000 1.157 560 P CA 1.877 64.979 63.100 0.003 0.000 0.880 560 P CB 0.306 31.991 31.700 -0.025 0.000 0.791 561 R N -1.226 119.298 120.500 0.041 0.000 2.307 561 R HA 0.089 4.439 4.340 0.016 0.000 0.199 561 R C 0.478 176.758 176.300 -0.033 0.000 1.000 561 R CA 0.152 56.257 56.100 0.008 0.000 1.023 561 R CB -0.483 29.831 30.300 0.023 0.000 0.908 561 R HN 0.245 nan 8.270 nan 0.000 0.473 562 L N 1.889 123.110 121.223 -0.005 0.000 2.282 562 L HA 0.146 4.496 4.340 0.016 0.000 0.287 562 L C 0.469 177.182 176.870 -0.262 0.000 1.075 562 L CA 0.093 54.868 54.840 -0.108 0.000 0.839 562 L CB 1.222 43.284 42.059 0.006 0.000 1.219 562 L HN 0.080 nan 8.230 nan 0.000 0.434 563 Q N 2.840 122.414 119.800 -0.377 0.000 2.211 563 Q HA 0.314 4.663 4.340 0.016 0.000 0.231 563 Q C 0.869 176.452 176.000 -0.695 0.000 0.865 563 Q CA 0.099 55.647 55.803 -0.424 0.000 0.997 563 Q CB 0.981 29.566 28.738 -0.256 0.000 1.101 563 Q HN 0.948 nan 8.270 nan 0.000 0.468 564 G N -0.257 107.720 108.800 -1.371 0.000 2.451 564 G HA2 0.076 4.045 3.960 0.016 0.000 0.208 564 G HA3 0.076 4.045 3.960 0.016 0.000 0.208 564 G C -0.222 173.869 174.900 -1.349 0.000 1.248 564 G CA -0.747 43.200 45.100 -1.922 0.000 0.989 564 G HN 0.614 nan 8.290 nan 0.000 0.559 565 G N -2.310 106.001 108.800 -0.815 0.000 2.342 565 G HA2 0.641 4.611 3.960 0.016 0.000 0.297 565 G HA3 0.641 4.611 3.960 0.016 0.000 0.297 565 G C -1.835 173.006 174.900 -0.098 0.000 1.313 565 G CA -0.270 44.562 45.100 -0.448 0.000 0.830 565 G HN 1.141 nan 8.290 nan 0.000 0.506 566 F N 0.736 120.943 119.950 0.428 0.000 2.403 566 F HA 0.519 5.054 4.527 0.015 0.000 0.355 566 F C 0.782 176.885 175.800 0.505 0.000 1.119 566 F CA -0.728 57.546 58.000 0.456 0.000 1.007 566 F CB 2.061 41.224 39.000 0.273 0.000 1.194 566 F HN 0.250 nan 8.300 nan 0.000 0.443 567 V N 3.249 123.466 119.914 0.506 0.000 2.872 567 V HA -0.137 3.993 4.120 0.016 0.000 0.307 567 V C -0.222 176.032 176.094 0.267 0.000 1.072 567 V CA -0.292 62.096 62.300 0.146 0.000 1.148 567 V CB 0.801 32.715 31.823 0.152 0.000 0.954 567 V HN 0.776 nan 8.190 nan 0.000 0.490 568 W N 6.389 127.772 121.300 0.138 0.000 2.296 568 W HA 0.457 5.126 4.660 0.015 0.000 0.316 568 W C -0.889 175.646 176.519 0.028 0.000 1.022 568 W CA -0.623 56.836 57.345 0.191 0.000 1.324 568 W CB 1.234 30.963 29.460 0.448 0.000 1.227 568 W HN 0.930 nan 8.180 nan 0.000 0.409 569 D N 2.751 122.873 120.400 -0.463 0.000 2.921 569 D HA 0.072 4.721 4.640 0.016 0.000 0.329 569 D C 0.698 176.817 176.300 -0.301 0.000 1.293 569 D CA -0.535 53.094 54.000 -0.619 0.000 0.964 569 D CB 0.135 39.977 40.800 -1.597 0.000 1.435 569 D HN 0.404 nan 8.370 nan 0.000 0.548 570 W N 0.382 121.407 121.300 -0.459 0.000 2.380 570 W HA 0.102 4.771 4.660 0.016 0.000 0.317 570 W C -0.059 176.300 176.519 -0.268 0.000 1.196 570 W CA 1.330 58.465 57.345 -0.349 0.000 1.307 570 W CB 0.307 29.574 29.460 -0.322 0.000 1.157 570 W HN 0.140 nan 8.180 nan 0.000 0.483 571 V N 2.643 122.333 119.914 -0.373 0.000 2.638 571 V HA 0.217 4.347 4.120 0.016 0.000 0.306 571 V C -0.981 174.956 176.094 -0.262 0.000 1.052 571 V CA -0.802 61.255 62.300 -0.405 0.000 0.885 571 V CB 1.470 33.152 31.823 -0.236 0.000 0.999 571 V HN -0.101 nan 8.190 nan 0.000 0.424 572 D N 4.424 124.685 120.400 -0.233 0.000 2.493 572 D HA 0.080 4.730 4.640 0.016 0.000 0.240 572 D C 0.329 176.487 176.300 -0.237 0.000 1.142 572 D CA 0.692 54.594 54.000 -0.164 0.000 0.872 572 D CB 0.857 41.633 40.800 -0.041 0.000 1.173 572 D HN 0.604 nan 8.370 nan 0.000 0.467 573 Q N 1.414 121.006 119.800 -0.347 0.000 3.247 573 Q HA 0.140 4.490 4.340 0.016 0.000 0.326 573 Q C -0.084 175.838 176.000 -0.129 0.000 1.402 573 Q CA -0.308 55.043 55.803 -0.752 0.000 0.994 573 Q CB 0.035 28.458 28.738 -0.524 0.000 1.647 573 Q HN 0.361 nan 8.270 nan 0.000 0.523 574 S N 0.137 115.882 115.700 0.076 0.000 2.654 574 S HA 0.673 5.153 4.470 0.016 0.000 0.283 574 S C -0.129 174.621 174.600 0.251 0.000 1.180 574 S CA -0.809 57.554 58.200 0.271 0.000 1.021 574 S CB 1.523 64.874 63.200 0.252 0.000 1.018 574 S HN 0.346 nan 8.310 nan 0.000 0.532 575 L N 1.481 122.778 121.223 0.122 0.000 2.333 575 L HA 0.527 4.877 4.340 0.016 0.000 0.269 575 L C -0.383 176.385 176.870 -0.169 0.000 1.010 575 L CA -1.244 53.548 54.840 -0.080 0.000 0.818 575 L CB 1.376 43.256 42.059 -0.299 0.000 1.306 575 L HN 0.548 nan 8.230 nan 0.000 0.430 576 I N 2.340 122.744 120.570 -0.277 0.000 2.496 576 I HA 0.219 4.399 4.170 0.016 0.000 0.285 576 I C 0.161 175.852 176.117 -0.711 0.000 1.080 576 I CA 0.174 61.167 61.300 -0.511 0.000 1.404 576 I CB 0.798 38.498 38.000 -0.500 0.000 1.403 576 I HN 0.568 nan 8.210 nan 0.000 0.539 577 K N 5.490 125.184 120.400 -1.177 0.000 2.400 577 K HA 0.554 4.884 4.320 0.016 0.000 0.246 577 K C -1.571 174.180 176.600 -1.414 0.000 0.995 577 K CA -0.752 54.774 56.287 -1.269 0.000 0.840 577 K CB 2.552 34.014 32.500 -1.729 0.000 1.293 577 K HN 0.246 nan 8.250 nan 0.000 0.445 578 Y N 0.614 120.636 120.300 -0.464 0.000 2.446 578 Y HA 0.153 4.712 4.550 0.016 0.000 0.345 578 Y C 0.164 176.150 175.900 0.144 0.000 0.984 578 Y CA -0.998 57.026 58.100 -0.127 0.000 1.058 578 Y CB 1.431 39.844 38.460 -0.080 0.000 1.220 578 Y HN 0.671 nan 8.280 nan 0.000 0.455 579 D N 0.054 120.709 120.400 0.425 0.000 2.466 579 D HA 0.101 4.751 4.640 0.016 0.000 0.262 579 D C 0.818 177.226 176.300 0.180 0.000 1.177 579 D CA -0.417 53.771 54.000 0.314 0.000 1.035 579 D CB 0.700 41.633 40.800 0.221 0.000 1.105 579 D HN 0.411 nan 8.370 nan 0.000 0.551 580 E N -0.050 120.218 120.200 0.114 0.000 2.136 580 E HA -0.223 4.136 4.350 0.016 0.000 0.208 580 E C 0.823 177.456 176.600 0.056 0.000 1.035 580 E CA 1.438 57.877 56.400 0.066 0.000 0.838 580 E CB -0.481 29.243 29.700 0.039 0.000 0.748 580 E HN 0.687 nan 8.360 nan 0.000 0.459 581 N N -0.416 118.324 118.700 0.067 0.000 2.376 581 N HA 0.138 4.888 4.740 0.016 0.000 0.249 581 N C 0.761 176.312 175.510 0.070 0.000 1.140 581 N CA 0.552 53.634 53.050 0.054 0.000 0.870 581 N CB 0.792 39.306 38.487 0.045 0.000 1.124 581 N HN 0.126 nan 8.380 nan 0.000 0.505 582 G N 1.282 110.137 108.800 0.091 0.000 2.269 582 G HA2 -0.293 3.676 3.960 0.016 0.000 0.277 582 G HA3 -0.293 3.676 3.960 0.016 0.000 0.277 582 G C -0.310 174.722 174.900 0.219 0.000 1.008 582 G CA -0.040 45.122 45.100 0.104 0.000 0.774 582 G HN 0.470 nan 8.290 nan 0.000 0.511 583 N N 1.238 120.075 118.700 0.228 0.000 2.499 583 N HA 0.404 5.154 4.740 0.016 0.000 0.281 583 N C -2.349 173.333 175.510 0.286 0.000 1.098 583 N CA -1.182 52.009 53.050 0.235 0.000 0.979 583 N CB 1.708 40.294 38.487 0.165 0.000 1.121 583 N HN 0.151 nan 8.380 nan 0.000 0.466 584 P HA 0.245 nan 4.420 nan 0.000 0.275 584 P C -0.535 176.723 177.300 -0.070 0.000 1.228 584 P CA -0.231 62.735 63.100 -0.223 0.000 0.786 584 P CB 0.655 32.210 31.700 -0.241 0.000 0.927 585 W N -0.864 120.202 121.300 -0.389 0.000 3.118 585 W HA 0.438 5.107 4.660 0.016 0.000 0.328 585 W C -1.434 174.910 176.519 -0.291 0.000 1.239 585 W CA -1.072 56.056 57.345 -0.361 0.000 1.176 585 W CB 0.354 29.393 29.460 -0.701 0.000 1.433 585 W HN 0.103 nan 8.180 nan 0.000 0.562 586 S N 1.468 117.244 115.700 0.127 0.000 2.474 586 S HA 0.588 5.067 4.470 0.016 0.000 0.276 586 S C 0.136 174.905 174.600 0.282 0.000 1.227 586 S CA -0.228 58.041 58.200 0.115 0.000 1.050 586 S CB 0.744 64.074 63.200 0.215 0.000 0.939 586 S HN 0.596 nan 8.310 nan 0.000 0.490 587 A N 3.081 125.940 122.820 0.065 0.000 2.330 587 A HA 0.884 5.213 4.320 0.016 0.000 0.329 587 A C -0.733 177.128 177.584 0.460 0.000 1.135 587 A CA -0.751 51.393 52.037 0.178 0.000 0.817 587 A CB 0.722 19.540 19.000 -0.303 0.000 1.269 587 A HN 0.831 nan 8.150 nan 0.000 0.469 588 Y N -0.684 119.955 120.300 0.566 0.000 2.833 588 Y HA 0.775 5.335 4.550 0.016 0.000 0.319 588 Y C 0.644 176.919 175.900 0.626 0.000 1.254 588 Y CA -1.431 57.001 58.100 0.554 0.000 1.138 588 Y CB -0.074 38.549 38.460 0.273 0.000 1.352 588 Y HN 0.924 nan 8.280 nan 0.000 0.546 589 G N -0.168 109.052 108.800 0.701 0.000 2.287 589 G HA2 0.366 4.335 3.960 0.016 0.000 0.235 589 G HA3 0.366 4.335 3.960 0.016 0.000 0.235 589 G C 0.945 176.165 174.900 0.533 0.000 1.258 589 G CA 0.422 45.837 45.100 0.525 0.000 0.884 589 G HN 1.988 nan 8.290 nan 0.000 0.518 590 G N 2.031 111.109 108.800 0.464 0.000 2.268 590 G HA2 -0.278 3.691 3.960 0.016 0.000 0.240 590 G HA3 -0.278 3.691 3.960 0.016 0.000 0.240 590 G C 0.887 175.974 174.900 0.312 0.000 1.010 590 G CA 0.624 45.934 45.100 0.350 0.000 0.618 590 G HN 0.652 nan 8.290 nan 0.000 0.516 591 D N -0.109 120.487 120.400 0.326 0.000 2.371 591 D HA 0.192 4.842 4.640 0.016 0.000 0.234 591 D C 0.988 177.077 176.300 -0.351 0.000 1.049 591 D CA 0.468 54.476 54.000 0.013 0.000 0.907 591 D CB -0.210 40.555 40.800 -0.058 0.000 0.891 591 D HN 0.475 nan 8.370 nan 0.000 0.531 592 F N -1.054 119.027 119.950 0.219 0.000 2.775 592 F HA 0.283 4.820 4.527 0.016 0.000 0.313 592 F C 1.722 177.611 175.800 0.148 0.000 1.121 592 F CA -0.294 57.796 58.000 0.151 0.000 1.206 592 F CB 0.886 39.977 39.000 0.152 0.000 1.052 592 F HN -0.048 nan 8.300 nan 0.000 0.524 593 G N 0.515 109.465 108.800 0.251 0.000 2.184 593 G HA2 -0.293 3.676 3.960 0.016 0.000 0.264 593 G HA3 -0.293 3.676 3.960 0.016 0.000 0.264 593 G C -0.167 174.866 174.900 0.222 0.000 0.975 593 G CA 0.223 45.440 45.100 0.195 0.000 0.642 593 G HN 0.407 nan 8.290 nan 0.000 0.536 594 D N 0.495 121.079 120.400 0.306 0.000 2.450 594 D HA 0.458 5.107 4.640 0.016 0.000 0.247 594 D C 0.199 176.616 176.300 0.196 0.000 1.162 594 D CA 1.135 55.301 54.000 0.278 0.000 0.879 594 D CB 1.406 42.431 40.800 0.375 0.000 1.163 594 D HN 0.370 nan 8.370 nan 0.000 0.472 595 T N 0.988 115.627 114.554 0.142 0.000 2.942 595 T HA 0.454 4.813 4.350 0.016 0.000 0.327 595 T C -2.708 172.025 174.700 0.056 0.000 1.360 595 T CA -1.204 60.952 62.100 0.093 0.000 1.055 595 T CB 1.096 70.019 68.868 0.092 0.000 1.261 595 T HN 0.196 nan 8.240 nan 0.000 0.485 596 P HA 0.481 nan 4.420 nan 0.000 0.271 596 P C -1.031 176.257 177.300 -0.020 0.000 1.233 596 P CA -0.287 62.811 63.100 -0.003 0.000 0.789 596 P CB 0.305 31.981 31.700 -0.040 0.000 0.951 597 N N -1.851 116.830 118.700 -0.030 0.000 2.708 597 N HA 0.265 5.015 4.740 0.016 0.000 0.257 597 N C -1.193 174.252 175.510 -0.109 0.000 1.373 597 N CA -0.742 52.261 53.050 -0.078 0.000 0.843 597 N CB 0.763 39.296 38.487 0.076 0.000 1.503 597 N HN 0.055 nan 8.380 nan 0.000 0.504 598 D N -0.056 120.199 120.400 -0.242 0.000 2.615 598 D HA 0.124 4.773 4.640 0.016 0.000 0.236 598 D C 0.583 177.080 176.300 0.328 0.000 1.233 598 D CA -0.126 53.818 54.000 -0.093 0.000 0.829 598 D CB 0.043 40.623 40.800 -0.366 0.000 1.024 598 D HN 0.725 nan 8.370 nan 0.000 0.490 599 R N 0.867 121.565 120.500 0.330 0.000 3.682 599 R HA -0.328 4.021 4.340 0.016 0.000 0.519 599 R C 1.119 177.515 176.300 0.160 0.000 0.241 599 R CA 1.582 57.898 56.100 0.361 0.000 1.619 599 R CB -1.590 28.837 30.300 0.212 0.000 0.923 599 R HN 0.147 nan 8.270 nan 0.000 0.598 600 Q N 1.556 121.125 119.800 -0.385 0.000 2.482 600 Q HA -0.009 4.340 4.340 0.016 0.000 0.209 600 Q C 1.554 177.298 176.000 -0.426 0.000 0.961 600 Q CA 1.317 56.685 55.803 -0.724 0.000 0.945 600 Q CB -0.022 28.030 28.738 -1.143 0.000 1.012 600 Q HN 0.621 nan 8.270 nan 0.000 0.515 601 F N 1.377 121.265 119.950 -0.103 0.000 2.722 601 F HA -0.086 4.450 4.527 0.016 0.000 0.298 601 F C 2.006 177.730 175.800 -0.127 0.000 1.175 601 F CA 0.823 58.826 58.000 0.004 0.000 1.462 601 F CB -0.029 39.059 39.000 0.147 0.000 1.111 601 F HN 0.391 nan 8.300 nan 0.000 0.592 602 C N -1.494 117.509 119.300 -0.495 0.000 2.626 602 C HA 0.266 4.736 4.460 0.016 0.000 0.266 602 C C 0.975 175.777 174.990 -0.313 0.000 1.317 602 C CA -0.514 58.065 59.018 -0.733 0.000 1.716 602 C CB -1.629 25.245 27.740 -1.442 0.000 1.819 602 C HN 0.184 nan 8.230 nan 0.000 0.578 603 M N 2.760 122.226 119.600 -0.223 0.000 2.131 603 M HA 0.268 4.758 4.480 0.016 0.000 0.345 603 M C -0.464 175.727 176.300 -0.181 0.000 1.060 603 M CA 0.328 55.530 55.300 -0.163 0.000 1.011 603 M CB -0.011 32.519 32.600 -0.118 0.000 1.328 603 M HN 0.386 nan 8.290 nan 0.000 0.396 604 N N 0.727 119.326 118.700 -0.168 0.000 2.305 604 N HA 0.208 4.957 4.740 0.016 0.000 0.248 604 N C 0.359 175.694 175.510 -0.292 0.000 1.290 604 N CA -0.522 52.386 53.050 -0.237 0.000 0.873 604 N CB 1.172 39.594 38.487 -0.109 0.000 1.261 604 N HN 0.616 nan 8.380 nan 0.000 0.504 605 G N -0.064 108.584 108.800 -0.253 0.000 2.504 605 G HA2 0.352 4.322 3.960 0.016 0.000 0.288 605 G HA3 0.352 4.322 3.960 0.016 0.000 0.288 605 G C 0.672 175.445 174.900 -0.212 0.000 1.182 605 G CA -0.569 44.356 45.100 -0.290 0.000 0.894 605 G HN 0.120 nan 8.290 nan 0.000 0.521 606 L N -0.182 120.841 121.223 -0.333 0.000 2.395 606 L HA 0.116 4.466 4.340 0.016 0.000 0.218 606 L C 0.875 177.483 176.870 -0.437 0.000 1.130 606 L CA 0.380 55.044 54.840 -0.293 0.000 0.826 606 L CB -0.282 41.599 42.059 -0.297 0.000 0.941 606 L HN 0.391 nan 8.230 nan 0.000 0.451 607 V N -5.176 114.309 119.914 -0.716 0.000 2.962 607 V HA 0.468 4.598 4.120 0.016 0.000 0.313 607 V C -0.269 175.346 176.094 -0.798 0.000 1.099 607 V CA -1.276 60.539 62.300 -0.807 0.000 0.971 607 V CB 1.630 32.952 31.823 -0.835 0.000 1.028 607 V HN -0.146 nan 8.190 nan 0.000 0.430 608 F N 1.676 121.197 119.950 -0.714 0.000 2.485 608 F HA 0.546 5.082 4.527 0.017 0.000 0.327 608 F C 1.960 177.581 175.800 -0.298 0.000 1.203 608 F CA 0.680 58.389 58.000 -0.486 0.000 1.295 608 F CB 0.952 39.725 39.000 -0.380 0.000 1.191 608 F HN 0.800 nan 8.300 nan 0.000 0.588 609 A N 0.847 123.692 122.820 0.042 0.000 1.986 609 A HA -0.241 4.088 4.320 0.016 0.000 0.220 609 A C 1.617 179.155 177.584 -0.076 0.000 1.171 609 A CA 1.981 54.024 52.037 0.009 0.000 0.640 609 A CB -0.971 18.087 19.000 0.096 0.000 0.811 609 A HN 0.800 nan 8.150 nan 0.000 0.451 610 D N -3.014 117.347 120.400 -0.066 0.000 2.319 610 D HA 0.141 4.790 4.640 0.016 0.000 0.230 610 D C 0.581 176.838 176.300 -0.072 0.000 1.094 610 D CA -0.008 53.930 54.000 -0.102 0.000 0.856 610 D CB -0.061 40.681 40.800 -0.096 0.000 0.915 610 D HN 0.190 nan 8.370 nan 0.000 0.517 611 R N -1.911 118.540 120.500 -0.081 0.000 3.892 611 R HA -0.123 4.227 4.340 0.016 0.000 0.441 611 R C -0.292 175.965 176.300 -0.071 0.000 1.052 611 R CA 0.998 57.047 56.100 -0.085 0.000 1.190 611 R CB -3.377 26.923 30.300 0.000 0.000 1.808 611 R HN 0.263 nan 8.270 nan 0.000 0.538 612 T N 3.099 117.631 114.554 -0.037 0.000 2.834 612 T HA 0.346 4.705 4.350 0.016 0.000 0.298 612 T C -2.274 172.423 174.700 -0.005 0.000 0.966 612 T CA -0.827 61.273 62.100 -0.001 0.000 1.141 612 T CB 1.039 69.896 68.868 -0.020 0.000 0.905 612 T HN -0.073 nan 8.240 nan 0.000 0.535 613 P HA 0.195 nan 4.420 nan 0.000 0.271 613 P C -0.351 176.870 177.300 -0.131 0.000 1.218 613 P CA -0.236 62.780 63.100 -0.141 0.000 0.780 613 P CB 0.387 32.055 31.700 -0.053 0.000 0.901 614 H N 2.665 121.582 119.070 -0.255 0.000 2.505 614 H HA 0.161 4.726 4.556 0.016 0.000 0.355 614 H C -1.179 174.052 175.328 -0.163 0.000 1.179 614 H CA -1.594 54.261 56.048 -0.321 0.000 1.343 614 H CB 0.273 29.779 29.762 -0.428 0.000 1.501 614 H HN 0.348 nan 8.280 nan 0.000 0.569 615 P HA -0.208 nan 4.420 nan 0.000 0.218 615 P C 1.065 178.360 177.300 -0.008 0.000 1.148 615 P CA 1.599 64.693 63.100 -0.010 0.000 0.822 615 P CB 0.021 31.719 31.700 -0.003 0.000 0.784 616 A N -0.595 122.215 122.820 -0.017 0.000 2.024 616 A HA -0.196 4.134 4.320 0.016 0.000 0.220 616 A C 2.081 179.617 177.584 -0.080 0.000 1.164 616 A CA 1.271 53.264 52.037 -0.073 0.000 0.643 616 A CB -1.598 17.320 19.000 -0.136 0.000 0.806 616 A HN 0.150 nan 8.150 nan 0.000 0.451 617 L N -0.007 121.193 121.223 -0.038 0.000 2.043 617 L HA -0.163 4.187 4.340 0.016 0.000 0.212 617 L C 2.485 179.397 176.870 0.071 0.000 1.075 617 L CA 2.803 57.656 54.840 0.023 0.000 0.752 617 L CB -1.045 41.031 42.059 0.028 0.000 0.891 617 L HN 0.409 nan 8.230 nan 0.000 0.432 618 T N -1.289 113.312 114.554 0.077 0.000 2.833 618 T HA -0.189 4.171 4.350 0.016 0.000 0.269 618 T C 1.713 176.517 174.700 0.173 0.000 1.054 618 T CA 1.331 63.531 62.100 0.168 0.000 1.135 618 T CB -0.178 68.772 68.868 0.136 0.000 0.869 618 T HN 0.335 nan 8.240 nan 0.000 0.466 619 E N 1.604 121.845 120.200 0.068 0.000 2.051 619 E HA -0.033 4.326 4.350 0.016 0.000 0.192 619 E C 2.281 178.888 176.600 0.011 0.000 0.991 619 E CA 1.314 57.756 56.400 0.070 0.000 0.799 619 E CB -0.576 29.131 29.700 0.013 0.000 0.748 619 E HN 0.435 nan 8.360 nan 0.000 0.449 620 A N 0.980 123.691 122.820 -0.181 0.000 1.877 620 A HA -0.255 4.075 4.320 0.016 0.000 0.216 620 A C 2.180 179.645 177.584 -0.198 0.000 1.186 620 A CA 2.054 53.920 52.037 -0.286 0.000 0.620 620 A CB -0.683 18.126 19.000 -0.318 0.000 0.822 620 A HN 0.276 nan 8.150 nan 0.000 0.443 621 K N -1.276 119.083 120.400 -0.068 0.000 2.044 621 K HA -0.304 4.026 4.320 0.016 0.000 0.210 621 K C 2.071 178.558 176.600 -0.188 0.000 1.049 621 K CA 2.118 58.372 56.287 -0.055 0.000 0.927 621 K CB -0.363 32.263 32.500 0.209 0.000 0.713 621 K HN 0.657 nan 8.250 nan 0.000 0.443 622 H N 0.277 119.166 119.070 -0.301 0.000 2.353 622 H HA -0.035 4.531 4.556 0.017 0.000 0.300 622 H C 1.932 176.979 175.328 -0.469 0.000 1.090 622 H CA 1.801 57.472 56.048 -0.628 0.000 1.327 622 H CB 0.117 29.520 29.762 -0.599 0.000 1.383 622 H HN 0.253 nan 8.280 nan 0.000 0.508 623 Q N 0.156 119.719 119.800 -0.394 0.000 2.297 623 Q HA -0.075 4.274 4.340 0.016 0.000 0.204 623 Q C 1.546 177.008 176.000 -0.898 0.000 0.962 623 Q CA 1.038 56.522 55.803 -0.532 0.000 0.879 623 Q CB 0.100 28.674 28.738 -0.273 0.000 0.947 623 Q HN 0.706 nan 8.270 nan 0.000 0.462 624 Q N 0.218 119.445 119.800 -0.955 0.000 2.365 624 Q HA 0.058 4.408 4.340 0.016 0.000 0.203 624 Q C -0.074 175.362 176.000 -0.941 0.000 0.929 624 Q CA -0.193 54.895 55.803 -1.191 0.000 0.948 624 Q CB 0.309 28.418 28.738 -1.048 0.000 1.043 624 Q HN 0.390 nan 8.270 nan 0.000 0.505 625 Q N -0.510 118.881 119.800 -0.682 0.000 2.414 625 Q HA -0.066 4.284 4.340 0.016 0.000 0.288 625 Q C -0.114 175.519 176.000 -0.611 0.000 1.086 625 Q CA 0.494 56.023 55.803 -0.456 0.000 0.943 625 Q CB 0.420 28.977 28.738 -0.302 0.000 1.282 625 Q HN 0.296 nan 8.270 nan 0.000 0.438 626 F N 0.058 119.770 119.950 -0.397 0.000 2.695 626 F HA 0.254 4.790 4.527 0.015 0.000 0.303 626 F C -0.200 175.002 175.800 -0.997 0.000 1.091 626 F CA -0.055 57.466 58.000 -0.799 0.000 1.300 626 F CB 0.613 38.835 39.000 -1.296 0.000 1.071 626 F HN 0.299 nan 8.300 nan 0.000 0.578 627 F N 0.397 120.257 119.950 -0.149 0.000 2.540 627 F HA 0.497 5.034 4.527 0.017 0.000 0.317 627 F C -0.138 175.303 175.800 -0.599 0.000 1.104 627 F CA -1.061 56.746 58.000 -0.322 0.000 0.913 627 F CB 1.394 40.232 39.000 -0.270 0.000 1.170 627 F HN -0.327 nan 8.300 nan 0.000 0.450 628 Q N 2.907 122.429 119.800 -0.464 0.000 2.301 628 Q HA 0.595 4.945 4.340 0.016 0.000 0.267 628 Q C -1.365 174.332 176.000 -0.505 0.000 1.035 628 Q CA -0.684 54.887 55.803 -0.388 0.000 0.856 628 Q CB 3.000 31.651 28.738 -0.144 0.000 1.337 628 Q HN 0.567 nan 8.270 nan 0.000 0.450 629 F N 0.110 120.196 119.950 0.227 0.000 2.588 629 F HA 0.606 5.143 4.527 0.017 0.000 0.314 629 F C 0.276 176.315 175.800 0.398 0.000 1.069 629 F CA -0.904 57.301 58.000 0.342 0.000 0.931 629 F CB 2.090 41.434 39.000 0.573 0.000 1.260 629 F HN 0.147 nan 8.300 nan 0.000 0.465 630 R N 1.528 122.320 120.500 0.487 0.000 2.725 630 R HA 0.750 5.100 4.340 0.016 0.000 0.277 630 R C -2.008 174.304 176.300 0.021 0.000 0.987 630 R CA -1.235 55.055 56.100 0.317 0.000 0.901 630 R CB 2.927 33.328 30.300 0.169 0.000 1.207 630 R HN 0.548 nan 8.270 nan 0.000 0.463 631 L N 0.406 121.511 121.223 -0.197 0.000 2.362 631 L HA 0.580 4.929 4.340 0.016 0.000 0.275 631 L C -1.090 175.617 176.870 -0.272 0.000 0.998 631 L CA 0.015 54.532 54.840 -0.539 0.000 0.820 631 L CB 2.261 43.555 42.059 -1.276 0.000 1.270 631 L HN 0.589 nan 8.230 nan 0.000 0.415 632 S N 3.625 119.189 115.700 -0.225 0.000 2.737 632 S HA 0.686 5.166 4.470 0.016 0.000 0.269 632 S C 0.190 174.704 174.600 -0.144 0.000 1.150 632 S CA 0.263 58.379 58.200 -0.140 0.000 1.077 632 S CB 0.264 63.415 63.200 -0.082 0.000 1.075 632 S HN 1.607 nan 8.310 nan 0.000 0.476 633 G N 4.704 113.422 108.800 -0.138 0.000 2.557 633 G HA2 -0.301 3.669 3.960 0.016 0.000 0.292 633 G HA3 -0.301 3.669 3.960 0.016 0.000 0.292 633 G C 0.258 175.060 174.900 -0.163 0.000 1.162 633 G CA 0.656 45.681 45.100 -0.126 0.000 0.964 633 G HN 0.842 nan 8.290 nan 0.000 0.541 634 Q N 0.099 119.805 119.800 -0.157 0.000 2.179 634 Q HA 0.346 4.695 4.340 0.016 0.000 0.213 634 Q C -0.023 175.842 176.000 -0.225 0.000 0.833 634 Q CA 0.424 56.105 55.803 -0.202 0.000 0.990 634 Q CB 0.817 29.443 28.738 -0.187 0.000 1.132 634 Q HN 0.395 nan 8.270 nan 0.000 0.493 635 T N 1.879 116.317 114.554 -0.194 0.000 2.767 635 T HA 0.481 4.840 4.350 0.016 0.000 0.288 635 T C -0.168 174.409 174.700 -0.204 0.000 0.963 635 T CA -0.309 61.688 62.100 -0.172 0.000 1.019 635 T CB 0.959 69.759 68.868 -0.112 0.000 0.923 635 T HN 0.118 nan 8.240 nan 0.000 0.468 636 I N 2.852 123.314 120.570 -0.180 0.000 2.359 636 I HA 0.298 4.477 4.170 0.016 0.000 0.294 636 I C 0.540 176.650 176.117 -0.012 0.000 0.987 636 I CA -0.521 60.688 61.300 -0.151 0.000 1.225 636 I CB 1.284 39.203 38.000 -0.134 0.000 1.366 636 I HN 0.566 nan 8.210 nan 0.000 0.466 637 E N 6.575 126.801 120.200 0.043 0.000 2.133 637 E HA 0.474 4.833 4.350 0.016 0.000 0.274 637 E C -1.614 175.079 176.600 0.155 0.000 0.930 637 E CA -0.585 55.862 56.400 0.079 0.000 0.770 637 E CB 1.575 31.307 29.700 0.055 0.000 1.104 637 E HN 0.348 nan 8.360 nan 0.000 0.403 638 V N 4.002 123.991 119.914 0.124 0.000 2.459 638 V HA 0.349 4.479 4.120 0.016 0.000 0.295 638 V C -0.081 176.036 176.094 0.038 0.000 1.029 638 V CA -0.602 61.741 62.300 0.072 0.000 0.874 638 V CB 1.863 33.755 31.823 0.114 0.000 0.985 638 V HN 0.720 nan 8.190 nan 0.000 0.438 639 T N 3.106 117.646 114.554 -0.022 0.000 2.829 639 T HA 0.375 4.735 4.350 0.016 0.000 0.280 639 T C -0.139 174.569 174.700 0.014 0.000 0.999 639 T CA -0.256 61.845 62.100 0.001 0.000 0.983 639 T CB 1.612 70.459 68.868 -0.035 0.000 0.968 639 T HN 0.690 nan 8.240 nan 0.000 0.446 640 S N 1.704 117.424 115.700 0.034 0.000 2.525 640 S HA 0.250 4.730 4.470 0.016 0.000 0.278 640 S C 0.645 175.138 174.600 -0.179 0.000 1.234 640 S CA -0.555 57.610 58.200 -0.058 0.000 1.058 640 S CB 0.593 63.837 63.200 0.072 0.000 0.983 640 S HN 0.722 nan 8.310 nan 0.000 0.495 641 E N 2.901 122.885 120.200 -0.361 0.000 2.501 641 E HA 0.113 4.472 4.350 0.016 0.000 0.200 641 E C -0.887 175.511 176.600 -0.335 0.000 1.016 641 E CA -0.105 56.108 56.400 -0.311 0.000 0.921 641 E CB 0.346 29.850 29.700 -0.326 0.000 1.034 641 E HN 0.671 nan 8.360 nan 0.000 0.468 642 Y N 0.308 120.496 120.300 -0.188 0.000 2.304 642 Y HA 0.074 4.634 4.550 0.016 0.000 0.327 642 Y C 1.366 177.113 175.900 -0.255 0.000 1.209 642 Y CA -0.081 57.903 58.100 -0.194 0.000 1.299 642 Y CB 0.907 39.247 38.460 -0.200 0.000 1.249 642 Y HN -0.023 nan 8.280 nan 0.000 0.519 643 L N 1.314 122.380 121.223 -0.262 0.000 2.463 643 L HA 0.074 4.424 4.340 0.016 0.000 0.219 643 L C 0.632 177.094 176.870 -0.680 0.000 1.088 643 L CA 0.638 55.104 54.840 -0.623 0.000 0.849 643 L CB 0.073 41.410 42.059 -1.204 0.000 1.012 643 L HN 0.669 nan 8.230 nan 0.000 0.468 644 F N -0.551 119.437 119.950 0.064 0.000 2.581 644 F HA 0.202 4.737 4.527 0.014 0.000 0.278 644 F C 1.293 177.099 175.800 0.009 0.000 1.000 644 F CA -0.795 57.214 58.000 0.016 0.000 1.230 644 F CB 0.302 39.288 39.000 -0.023 0.000 1.008 644 F HN -0.157 nan 8.300 nan 0.000 0.695 645 R N 0.365 120.929 120.500 0.107 0.000 2.573 645 R HA 0.427 4.777 4.340 0.016 0.000 0.272 645 R C -1.017 175.307 176.300 0.041 0.000 1.009 645 R CA -0.627 55.484 56.100 0.018 0.000 1.059 645 R CB 0.789 30.983 30.300 -0.177 0.000 1.112 645 R HN 0.061 nan 8.270 nan 0.000 0.517 646 H N 0.295 119.361 119.070 -0.006 0.000 2.546 646 H HA 0.096 4.662 4.556 0.016 0.000 0.365 646 H C -0.003 175.354 175.328 0.048 0.000 1.220 646 H CA 0.317 56.393 56.048 0.047 0.000 1.386 646 H CB 1.171 30.959 29.762 0.044 0.000 1.510 646 H HN 0.757 nan 8.280 nan 0.000 0.591 647 S N 1.581 117.328 115.700 0.079 0.000 4.175 647 S HA -0.031 4.449 4.470 0.016 0.000 0.193 647 S C 0.202 174.931 174.600 0.215 0.000 1.373 647 S CA -0.157 58.172 58.200 0.216 0.000 0.908 647 S CB -0.760 62.572 63.200 0.220 0.000 1.547 647 S HN 0.715 nan 8.310 nan 0.000 0.440 648 D N 0.736 121.241 120.400 0.175 0.000 2.349 648 D HA -0.011 4.639 4.640 0.016 0.000 0.224 648 D C 0.443 176.793 176.300 0.083 0.000 1.029 648 D CA 0.057 54.136 54.000 0.132 0.000 0.879 648 D CB -0.224 40.628 40.800 0.087 0.000 0.906 648 D HN 0.509 nan 8.370 nan 0.000 0.528 649 N N -0.116 118.637 118.700 0.087 0.000 2.639 649 N HA 0.146 4.896 4.740 0.016 0.000 0.265 649 N C -1.680 173.886 175.510 0.093 0.000 1.689 649 N CA -0.226 52.865 53.050 0.069 0.000 0.813 649 N CB 0.235 38.747 38.487 0.041 0.000 1.353 649 N HN -0.050 nan 8.380 nan 0.000 0.510 650 E N 0.001 120.255 120.200 0.090 0.000 2.321 650 E HA 0.477 4.837 4.350 0.016 0.000 0.278 650 E C -1.793 174.845 176.600 0.063 0.000 0.902 650 E CA -0.648 55.795 56.400 0.073 0.000 0.758 650 E CB 2.371 32.077 29.700 0.011 0.000 1.213 650 E HN 0.218 nan 8.360 nan 0.000 0.426 651 L N 3.164 124.440 121.223 0.089 0.000 2.385 651 L HA 0.613 4.963 4.340 0.016 0.000 0.273 651 L C -1.802 175.191 176.870 0.205 0.000 0.990 651 L CA -0.775 54.153 54.840 0.147 0.000 0.821 651 L CB 1.529 43.709 42.059 0.201 0.000 1.279 651 L HN 0.668 nan 8.230 nan 0.000 0.412 652 L N 4.533 125.884 121.223 0.214 0.000 2.275 652 L HA 0.523 4.873 4.340 0.016 0.000 0.288 652 L C -1.056 176.036 176.870 0.370 0.000 1.046 652 L CA -0.130 54.872 54.840 0.270 0.000 0.805 652 L CB 0.505 42.704 42.059 0.233 0.000 1.193 652 L HN 0.666 nan 8.230 nan 0.000 0.426 653 H N 4.871 124.016 119.070 0.125 0.000 2.459 653 H HA 0.493 5.059 4.556 0.016 0.000 0.332 653 H C -1.051 174.369 175.328 0.153 0.000 1.094 653 H CA -0.508 55.576 56.048 0.060 0.000 1.224 653 H CB 0.883 30.641 29.762 -0.006 0.000 1.449 653 H HN 0.576 nan 8.280 nan 0.000 0.484 654 W N 4.572 125.941 121.300 0.115 0.000 2.864 654 W HA 0.649 5.318 4.660 0.016 0.000 0.343 654 W C -1.395 175.172 176.519 0.080 0.000 1.109 654 W CA -1.306 56.100 57.345 0.102 0.000 1.192 654 W CB 1.361 30.866 29.460 0.075 0.000 1.426 654 W HN 0.538 nan 8.180 nan 0.000 0.529 655 M N 2.194 122.025 119.600 0.386 0.000 2.421 655 M HA 0.648 5.138 4.480 0.016 0.000 0.287 655 M C -2.475 174.043 176.300 0.364 0.000 1.183 655 M CA -0.772 54.658 55.300 0.218 0.000 0.916 655 M CB 1.971 34.584 32.600 0.020 0.000 1.701 655 M HN 0.179 nan 8.290 nan 0.000 0.470 656 V N 2.537 122.643 119.914 0.320 0.000 2.448 656 V HA 0.934 5.063 4.120 0.016 0.000 0.295 656 V C -0.207 176.001 176.094 0.190 0.000 1.025 656 V CA -0.361 62.110 62.300 0.286 0.000 0.859 656 V CB 1.278 33.276 31.823 0.291 0.000 0.988 656 V HN 1.045 nan 8.190 nan 0.000 0.431 657 A N 4.423 127.365 122.820 0.203 0.000 2.454 657 A HA 0.906 5.236 4.320 0.016 0.000 0.302 657 A C -1.368 176.335 177.584 0.197 0.000 1.079 657 A CA -0.657 51.467 52.037 0.145 0.000 0.731 657 A CB 1.758 20.809 19.000 0.085 0.000 1.299 657 A HN 0.867 nan 8.150 nan 0.000 0.413 658 L N 1.550 122.860 121.223 0.144 0.000 2.283 658 L HA 0.483 4.833 4.340 0.016 0.000 0.281 658 L C -0.601 176.371 176.870 0.170 0.000 1.033 658 L CA 0.237 55.173 54.840 0.160 0.000 0.848 658 L CB 0.086 42.207 42.059 0.104 0.000 1.226 658 L HN 0.744 nan 8.230 nan 0.000 0.429 659 D N 4.617 125.188 120.400 0.285 0.000 2.689 659 D HA -0.215 4.435 4.640 0.016 0.000 0.237 659 D C 1.143 177.509 176.300 0.110 0.000 1.148 659 D CA 1.395 55.567 54.000 0.288 0.000 0.656 659 D CB -1.067 39.861 40.800 0.214 0.000 1.050 659 D HN 1.169 nan 8.370 nan 0.000 0.426 660 G N -0.653 108.173 108.800 0.044 0.000 2.225 660 G HA2 -0.377 3.592 3.960 0.016 0.000 0.254 660 G HA3 -0.377 3.592 3.960 0.016 0.000 0.254 660 G C 0.283 175.117 174.900 -0.110 0.000 0.988 660 G CA 0.606 45.611 45.100 -0.158 0.000 0.625 660 G HN 0.482 nan 8.290 nan 0.000 0.527 661 K N 2.021 122.406 120.400 -0.025 0.000 2.262 661 K HA 0.475 4.804 4.320 0.016 0.000 0.282 661 K C -2.555 174.043 176.600 -0.004 0.000 1.066 661 K CA -1.845 54.427 56.287 -0.025 0.000 0.901 661 K CB 1.378 33.877 32.500 -0.002 0.000 1.089 661 K HN 0.082 nan 8.250 nan 0.000 0.476 662 P HA -0.084 nan 4.420 nan 0.000 0.264 662 P C -0.168 177.138 177.300 0.009 0.000 1.193 662 P CA -0.060 63.031 63.100 -0.015 0.000 0.763 662 P CB 0.656 32.327 31.700 -0.049 0.000 0.810 663 L N 2.383 123.629 121.223 0.039 0.000 2.586 663 L HA 0.532 4.882 4.340 0.016 0.000 0.204 663 L C 0.359 177.264 176.870 0.059 0.000 1.053 663 L CA 0.907 55.779 54.840 0.054 0.000 0.856 663 L CB -0.068 42.041 42.059 0.083 0.000 1.192 663 L HN 0.375 nan 8.230 nan 0.000 0.484 664 A N -0.445 122.428 122.820 0.088 0.000 2.594 664 A HA 0.704 5.033 4.320 0.016 0.000 0.291 664 A C -0.941 176.576 177.584 -0.112 0.000 1.105 664 A CA 0.237 52.326 52.037 0.087 0.000 0.694 664 A CB 1.673 20.839 19.000 0.277 0.000 1.291 664 A HN 0.329 nan 8.150 nan 0.000 0.410 665 S N -0.779 114.598 115.700 -0.540 0.000 2.565 665 S HA 0.876 5.356 4.470 0.016 0.000 0.274 665 S C -0.374 173.319 174.600 -1.511 0.000 1.144 665 S CA 0.025 57.518 58.200 -1.178 0.000 0.849 665 S CB 0.999 63.848 63.200 -0.586 0.000 1.103 665 S HN 2.526 nan 8.310 nan 0.000 0.455 666 G N 0.282 107.834 108.800 -2.079 0.000 2.619 666 G HA2 0.741 4.711 3.960 0.016 0.000 0.305 666 G HA3 0.741 4.711 3.960 0.016 0.000 0.305 666 G C -2.021 172.374 174.900 -0.841 0.000 1.330 666 G CA -0.461 43.981 45.100 -1.097 0.000 0.789 666 G HN 1.211 nan 8.290 nan 0.000 0.487 667 E N -1.690 118.336 120.200 -0.290 0.000 2.352 667 E HA 0.652 5.012 4.350 0.016 0.000 0.280 667 E C -1.873 174.746 176.600 0.033 0.000 0.930 667 E CA -0.952 55.316 56.400 -0.220 0.000 0.765 667 E CB 2.530 31.827 29.700 -0.672 0.000 1.219 667 E HN 0.524 nan 8.360 nan 0.000 0.434 668 V N 1.726 121.703 119.914 0.105 0.000 2.851 668 V HA 0.435 4.565 4.120 0.016 0.000 0.307 668 V C -2.563 173.597 176.094 0.109 0.000 1.129 668 V CA -1.945 60.425 62.300 0.117 0.000 0.932 668 V CB 2.080 33.994 31.823 0.153 0.000 1.024 668 V HN 0.682 nan 8.190 nan 0.000 0.426 669 P HA 0.275 nan 4.420 nan 0.000 0.271 669 P C -0.626 176.721 177.300 0.079 0.000 1.216 669 P CA -0.064 63.087 63.100 0.084 0.000 0.771 669 P CB 0.615 32.359 31.700 0.073 0.000 0.864 670 L N 3.165 124.425 121.223 0.062 0.000 2.331 670 L HA 0.255 4.604 4.340 0.016 0.000 0.278 670 L C 0.523 177.436 176.870 0.072 0.000 1.106 670 L CA 0.338 55.198 54.840 0.033 0.000 0.824 670 L CB 0.504 42.519 42.059 -0.072 0.000 1.142 670 L HN 0.379 nan 8.230 nan 0.000 0.443 671 D N 3.208 123.656 120.400 0.079 0.000 2.468 671 D HA 0.265 4.915 4.640 0.016 0.000 0.272 671 D C -1.390 174.934 176.300 0.041 0.000 1.221 671 D CA -0.102 53.981 54.000 0.138 0.000 0.860 671 D CB 1.195 42.097 40.800 0.171 0.000 1.190 671 D HN 0.101 nan 8.370 nan 0.000 0.509 672 V N 2.031 121.867 119.914 -0.129 0.000 2.487 672 V HA 0.857 4.987 4.120 0.016 0.000 0.298 672 V C -0.016 175.768 176.094 -0.517 0.000 1.028 672 V CA -0.460 61.735 62.300 -0.176 0.000 0.860 672 V CB 1.258 33.108 31.823 0.045 0.000 0.991 672 V HN 0.548 nan 8.190 nan 0.000 0.427 673 A N 8.874 131.452 122.820 -0.403 0.000 2.346 673 A HA 0.704 5.034 4.320 0.016 0.000 0.252 673 A C -2.429 175.111 177.584 -0.074 0.000 1.089 673 A CA -1.310 50.562 52.037 -0.274 0.000 0.797 673 A CB -0.137 18.881 19.000 0.030 0.000 1.047 673 A HN 0.743 nan 8.150 nan 0.000 0.494 674 P HA 0.008 nan 4.420 nan 0.000 0.262 674 P C -0.450 176.843 177.300 -0.011 0.000 1.182 674 P CA 0.635 63.745 63.100 0.018 0.000 0.761 674 P CB 0.456 32.164 31.700 0.014 0.000 0.795 675 Q N -0.989 118.793 119.800 -0.031 0.000 2.348 675 Q HA -0.175 4.175 4.340 0.016 0.000 0.221 675 Q C 0.751 176.741 176.000 -0.016 0.000 0.735 675 Q CA 1.750 57.529 55.803 -0.040 0.000 1.351 675 Q CB -2.535 26.176 28.738 -0.046 0.000 1.640 675 Q HN 0.743 nan 8.270 nan 0.000 0.667 676 G N 0.205 109.003 108.800 -0.003 0.000 2.537 676 G HA2 0.553 4.523 3.960 0.016 0.000 0.297 676 G HA3 0.553 4.523 3.960 0.016 0.000 0.297 676 G C -0.264 174.647 174.900 0.019 0.000 1.310 676 G CA -0.524 44.581 45.100 0.008 0.000 1.027 676 G HN -0.005 nan 8.290 nan 0.000 0.505 677 K N -0.840 119.575 120.400 0.025 0.000 2.395 677 K HA 0.482 4.812 4.320 0.016 0.000 0.247 677 K C -1.000 175.624 176.600 0.040 0.000 0.973 677 K CA -0.621 55.686 56.287 0.033 0.000 0.828 677 K CB 2.493 35.009 32.500 0.026 0.000 1.272 677 K HN 0.536 nan 8.250 nan 0.000 0.439 678 Q N 2.683 122.512 119.800 0.049 0.000 2.289 678 Q HA 0.380 4.729 4.340 0.016 0.000 0.270 678 Q C -1.726 174.303 176.000 0.048 0.000 1.038 678 Q CA -0.620 55.213 55.803 0.050 0.000 0.812 678 Q CB 1.426 30.199 28.738 0.058 0.000 1.300 678 Q HN 0.527 nan 8.270 nan 0.000 0.427 679 L N 5.064 126.307 121.223 0.033 0.000 2.295 679 L HA 0.586 4.935 4.340 0.016 0.000 0.285 679 L C -0.552 176.324 176.870 0.009 0.000 1.035 679 L CA -0.749 54.101 54.840 0.016 0.000 0.806 679 L CB 1.460 43.520 42.059 0.002 0.000 1.214 679 L HN 0.629 nan 8.230 nan 0.000 0.426 680 I N 2.610 123.176 120.570 -0.008 0.000 2.447 680 I HA 0.222 4.401 4.170 0.016 0.000 0.287 680 I C -0.457 175.606 176.117 -0.090 0.000 1.023 680 I CA -0.524 60.761 61.300 -0.026 0.000 1.083 680 I CB 2.340 40.340 38.000 -0.000 0.000 1.245 680 I HN 0.505 nan 8.210 nan 0.000 0.434 681 E N 6.588 126.733 120.200 -0.092 0.000 2.146 681 E HA 0.432 4.791 4.350 0.016 0.000 0.282 681 E C -0.982 175.501 176.600 -0.196 0.000 0.989 681 E CA -0.326 55.996 56.400 -0.130 0.000 0.799 681 E CB 0.922 30.571 29.700 -0.085 0.000 1.088 681 E HN 0.414 nan 8.360 nan 0.000 0.397 682 L N 6.079 127.124 121.223 -0.296 0.000 2.436 682 L HA 0.364 4.714 4.340 0.016 0.000 0.265 682 L C -1.704 174.998 176.870 -0.280 0.000 1.168 682 L CA -1.991 52.578 54.840 -0.452 0.000 0.815 682 L CB 0.403 42.081 42.059 -0.636 0.000 1.109 682 L HN 0.517 nan 8.230 nan 0.000 0.462 683 P HA -0.044 nan 4.420 nan 0.000 0.271 683 P C -0.533 176.718 177.300 -0.081 0.000 1.238 683 P CA -0.301 62.752 63.100 -0.079 0.000 0.794 683 P CB 0.370 32.102 31.700 0.053 0.000 0.959 684 E N 0.967 121.148 120.200 -0.031 0.000 2.376 684 E HA 0.069 4.428 4.350 0.016 0.000 0.266 684 E C -0.739 175.861 176.600 0.001 0.000 1.009 684 E CA -0.131 56.253 56.400 -0.027 0.000 0.902 684 E CB 0.099 29.792 29.700 -0.011 0.000 0.972 684 E HN 0.245 nan 8.360 nan 0.000 0.439 685 L N 6.716 127.935 121.223 -0.007 0.000 2.334 685 L HA 0.383 4.733 4.340 0.016 0.000 0.277 685 L C -1.894 174.998 176.870 0.037 0.000 1.075 685 L CA -1.952 52.911 54.840 0.038 0.000 0.804 685 L CB 0.636 42.721 42.059 0.043 0.000 1.174 685 L HN 0.460 nan 8.230 nan 0.000 0.438 686 P HA 0.109 nan 4.420 nan 0.000 0.273 686 P C -1.284 176.037 177.300 0.035 0.000 1.250 686 P CA -0.476 62.648 63.100 0.039 0.000 0.793 686 P CB 0.396 32.121 31.700 0.042 0.000 1.011 687 Q N 0.334 120.150 119.800 0.026 0.000 2.378 687 Q HA 0.767 5.117 4.340 0.016 0.000 0.276 687 Q C -2.563 173.452 176.000 0.025 0.000 1.083 687 Q CA -1.726 54.091 55.803 0.023 0.000 0.856 687 Q CB 0.822 29.568 28.738 0.013 0.000 1.383 687 Q HN 0.319 nan 8.270 nan 0.000 0.458 688 P HA 0.387 nan 4.420 nan 0.000 0.312 688 P C -0.861 176.452 177.300 0.022 0.000 1.661 688 P CA -0.494 62.622 63.100 0.026 0.000 1.304 688 P CB 1.998 33.720 31.700 0.035 0.000 1.258 689 E N 0.361 120.572 120.200 0.019 0.000 2.204 689 E HA -0.063 4.296 4.350 0.016 0.000 0.194 689 E C 0.864 177.476 176.600 0.020 0.000 0.989 689 E CA 0.578 56.988 56.400 0.016 0.000 0.824 689 E CB 0.017 29.725 29.700 0.013 0.000 0.756 689 E HN 0.456 nan 8.360 nan 0.000 0.477 690 S N 0.944 116.659 115.700 0.024 0.000 2.673 690 S HA 0.066 4.546 4.470 0.016 0.000 0.308 690 S C 0.273 174.893 174.600 0.034 0.000 1.246 690 S CA -0.215 58.002 58.200 0.029 0.000 1.077 690 S CB 0.162 63.381 63.200 0.031 0.000 0.814 690 S HN 0.280 nan 8.310 nan 0.000 0.503 691 A N 4.421 127.263 122.820 0.036 0.000 2.547 691 A HA 0.592 4.922 4.320 0.016 0.000 0.233 691 A C 1.117 178.733 177.584 0.052 0.000 1.067 691 A CA 0.431 52.492 52.037 0.040 0.000 0.763 691 A CB -0.699 18.326 19.000 0.042 0.000 1.007 691 A HN 2.183 nan 8.150 nan 0.000 0.506 692 G N -0.362 108.469 108.800 0.052 0.000 2.361 692 G HA2 0.440 4.409 3.960 0.016 0.000 0.331 692 G HA3 0.440 4.409 3.960 0.016 0.000 0.331 692 G C -1.117 173.814 174.900 0.051 0.000 1.324 692 G CA -0.140 45.004 45.100 0.073 0.000 0.984 692 G HN 1.213 nan 8.290 nan 0.000 0.586 693 Q N -0.085 119.761 119.800 0.078 0.000 2.347 693 Q HA 0.722 5.071 4.340 0.016 0.000 0.262 693 Q C -0.361 175.684 176.000 0.076 0.000 0.980 693 Q CA -0.535 55.267 55.803 -0.001 0.000 0.867 693 Q CB 1.174 29.872 28.738 -0.066 0.000 1.242 693 Q HN 0.582 nan 8.270 nan 0.000 0.453 694 L N 4.201 125.414 121.223 -0.016 0.000 2.326 694 L HA 0.474 4.824 4.340 0.016 0.000 0.278 694 L C -0.774 176.093 176.870 -0.005 0.000 1.092 694 L CA -0.357 54.528 54.840 0.076 0.000 0.810 694 L CB 0.727 42.809 42.059 0.038 0.000 1.153 694 L HN 0.678 nan 8.230 nan 0.000 0.439 695 W N 4.093 125.450 121.300 0.095 0.000 2.785 695 W HA 0.501 5.170 4.660 0.016 0.000 0.333 695 W C -0.818 175.807 176.519 0.177 0.000 1.062 695 W CA -0.528 56.897 57.345 0.133 0.000 1.233 695 W CB 1.751 31.310 29.460 0.165 0.000 1.413 695 W HN 0.127 nan 8.180 nan 0.000 0.489 696 L N 3.273 124.784 121.223 0.481 0.000 2.282 696 L HA 0.770 5.120 4.340 0.016 0.000 0.288 696 L C -0.353 176.829 176.870 0.520 0.000 1.033 696 L CA 0.256 55.363 54.840 0.444 0.000 0.807 696 L CB 1.289 43.563 42.059 0.359 0.000 1.209 696 L HN 0.313 nan 8.230 nan 0.000 0.423 697 T N 5.063 119.867 114.554 0.417 0.000 2.824 697 T HA 0.656 5.015 4.350 0.016 0.000 0.282 697 T C -0.721 174.181 174.700 0.336 0.000 0.993 697 T CA -0.426 61.879 62.100 0.342 0.000 0.967 697 T CB 1.557 70.564 68.868 0.230 0.000 0.960 697 T HN 0.611 nan 8.240 nan 0.000 0.441 698 V N 1.565 121.652 119.914 0.289 0.000 2.715 698 V HA 0.851 4.980 4.120 0.016 0.000 0.310 698 V C -0.793 175.403 176.094 0.170 0.000 1.054 698 V CA -1.180 61.257 62.300 0.228 0.000 0.928 698 V CB 1.826 33.730 31.823 0.135 0.000 1.007 698 V HN 0.870 nan 8.190 nan 0.000 0.437 699 R N 2.386 123.006 120.500 0.200 0.000 2.725 699 R HA 0.780 5.130 4.340 0.016 0.000 0.277 699 R C -1.814 174.610 176.300 0.207 0.000 0.987 699 R CA -0.863 55.366 56.100 0.216 0.000 0.901 699 R CB 2.535 32.919 30.300 0.140 0.000 1.207 699 R HN 0.584 nan 8.270 nan 0.000 0.463 700 V N 2.766 122.825 119.914 0.242 0.000 2.347 700 V HA 0.354 4.484 4.120 0.016 0.000 0.280 700 V C -0.198 175.974 176.094 0.130 0.000 1.021 700 V CA -0.645 61.771 62.300 0.193 0.000 0.847 700 V CB 1.633 33.574 31.823 0.198 0.000 0.990 700 V HN 0.462 nan 8.190 nan 0.000 0.444 701 V N 4.887 124.833 119.914 0.053 0.000 2.628 701 V HA 0.427 4.556 4.120 0.016 0.000 0.306 701 V C -0.273 175.858 176.094 0.061 0.000 1.045 701 V CA -0.774 61.526 62.300 -0.000 0.000 0.905 701 V CB 2.113 33.825 31.823 -0.186 0.000 0.997 701 V HN 0.869 nan 8.190 nan 0.000 0.436 702 Q N 5.005 124.859 119.800 0.090 0.000 2.421 702 Q HA 0.268 4.618 4.340 0.016 0.000 0.242 702 Q C -1.711 174.312 176.000 0.040 0.000 1.024 702 Q CA -1.780 54.078 55.803 0.091 0.000 0.891 702 Q CB 1.841 30.649 28.738 0.117 0.000 1.222 702 Q HN 0.492 nan 8.270 nan 0.000 0.483 703 P HA -0.155 nan 4.420 nan 0.000 0.219 703 P C -0.483 176.819 177.300 0.002 0.000 1.150 703 P CA 1.097 64.212 63.100 0.025 0.000 0.814 703 P CB 0.417 32.143 31.700 0.042 0.000 0.787 704 N N -0.771 117.921 118.700 -0.013 0.000 2.466 704 N HA 0.461 5.210 4.740 0.016 0.000 0.294 704 N C -0.302 175.157 175.510 -0.085 0.000 1.129 704 N CA -0.702 52.325 53.050 -0.039 0.000 0.931 704 N CB 1.004 39.470 38.487 -0.036 0.000 1.193 704 N HN -0.063 nan 8.380 nan 0.000 0.500 705 A N 0.335 123.099 122.820 -0.094 0.000 2.386 705 A HA 0.482 4.811 4.320 0.016 0.000 0.246 705 A C 0.503 177.956 177.584 -0.218 0.000 1.089 705 A CA -0.033 51.912 52.037 -0.153 0.000 0.790 705 A CB -0.028 18.905 19.000 -0.111 0.000 1.042 705 A HN 0.700 nan 8.150 nan 0.000 0.497 706 T N -3.324 111.010 114.554 -0.366 0.000 2.773 706 T HA 0.622 4.982 4.350 0.016 0.000 0.278 706 T C 1.006 175.523 174.700 -0.305 0.000 1.011 706 T CA 0.043 61.892 62.100 -0.419 0.000 1.014 706 T CB 1.107 69.489 68.868 -0.809 0.000 1.293 706 T HN 1.385 nan 8.240 nan 0.000 0.554 707 A N -0.004 122.721 122.820 -0.159 0.000 2.019 707 A HA 0.076 4.405 4.320 0.016 0.000 0.219 707 A C 1.631 179.352 177.584 0.230 0.000 1.164 707 A CA 1.229 53.301 52.037 0.060 0.000 0.644 707 A CB -0.882 18.205 19.000 0.144 0.000 0.805 707 A HN 0.926 nan 8.150 nan 0.000 0.449 708 W N -0.822 120.546 121.300 0.114 0.000 2.702 708 W HA 0.460 5.131 4.660 0.017 0.000 0.369 708 W C -0.129 176.368 176.519 -0.036 0.000 0.987 708 W CA 0.388 57.776 57.345 0.070 0.000 1.702 708 W CB -1.084 28.400 29.460 0.039 0.000 1.138 708 W HN 0.438 nan 8.180 nan 0.000 0.552 709 S N -0.320 115.047 115.700 -0.555 0.000 2.596 709 S HA 0.470 4.950 4.470 0.016 0.000 0.270 709 S C -1.126 173.268 174.600 -0.345 0.000 1.155 709 S CA -0.684 57.191 58.200 -0.543 0.000 0.827 709 S CB 2.925 65.395 63.200 -1.216 0.000 1.130 709 S HN 0.119 nan 8.310 nan 0.000 0.467 710 E N 0.368 120.460 120.200 -0.179 0.000 2.250 710 E HA 0.623 4.983 4.350 0.016 0.000 0.265 710 E C 0.127 176.686 176.600 -0.069 0.000 1.033 710 E CA -0.949 55.396 56.400 -0.091 0.000 0.888 710 E CB 1.595 31.285 29.700 -0.015 0.000 1.151 710 E HN 0.892 nan 8.360 nan 0.000 0.412 711 A N 0.535 123.325 122.820 -0.049 0.000 2.540 711 A HA 0.383 4.713 4.320 0.016 0.000 0.239 711 A C 1.059 178.644 177.584 0.003 0.000 1.061 711 A CA 0.897 52.917 52.037 -0.028 0.000 0.758 711 A CB -0.433 18.554 19.000 -0.022 0.000 0.991 711 A HN 0.809 nan 8.150 nan 0.000 0.502 712 G N 0.674 109.482 108.800 0.013 0.000 2.175 712 G HA2 -0.240 3.730 3.960 0.016 0.000 0.244 712 G HA3 -0.240 3.730 3.960 0.016 0.000 0.244 712 G C 0.239 175.164 174.900 0.041 0.000 0.982 712 G CA 0.621 45.725 45.100 0.007 0.000 0.641 712 G HN 1.756 nan 8.290 nan 0.000 0.527 713 H N 0.639 119.698 119.070 -0.018 0.000 3.034 713 H HA 0.417 4.983 4.556 0.016 0.000 0.324 713 H C 0.703 176.081 175.328 0.084 0.000 1.015 713 H CA 0.384 56.452 56.048 0.033 0.000 1.429 713 H CB 0.161 29.934 29.762 0.018 0.000 1.429 713 H HN 0.297 nan 8.280 nan 0.000 0.585 714 I N 4.800 125.137 120.570 -0.387 0.000 2.312 714 I HA 0.026 4.206 4.170 0.016 0.000 0.291 714 I C 0.987 176.964 176.117 -0.233 0.000 1.031 714 I CA 0.149 61.326 61.300 -0.204 0.000 1.293 714 I CB 1.395 39.325 38.000 -0.115 0.000 1.403 714 I HN 0.788 nan 8.210 nan 0.000 0.484 715 S N 4.237 120.005 115.700 0.113 0.000 2.502 715 S HA 0.555 5.035 4.470 0.016 0.000 0.215 715 S C 0.508 175.381 174.600 0.456 0.000 1.009 715 S CA 0.020 58.429 58.200 0.348 0.000 0.908 715 S CB 0.499 64.028 63.200 0.548 0.000 0.801 715 S HN 0.681 nan 8.310 nan 0.000 0.505 716 A N 0.488 123.615 122.820 0.511 0.000 2.612 716 A HA 0.689 5.019 4.320 0.016 0.000 0.293 716 A C -1.761 176.210 177.584 0.647 0.000 1.075 716 A CA -0.936 51.393 52.037 0.487 0.000 0.680 716 A CB 0.505 19.851 19.000 0.577 0.000 1.279 716 A HN 0.915 nan 8.150 nan 0.000 0.411 717 W N -0.216 121.273 121.300 0.316 0.000 3.005 717 W HA 0.804 5.475 4.660 0.017 0.000 0.343 717 W C -1.199 175.386 176.519 0.111 0.000 1.243 717 W CA -0.616 56.803 57.345 0.123 0.000 1.186 717 W CB 1.184 30.678 29.460 0.057 0.000 1.453 717 W HN 1.024 nan 8.180 nan 0.000 0.575 718 Q N 1.047 120.884 119.800 0.062 0.000 2.647 718 Q HA 0.423 4.773 4.340 0.016 0.000 0.283 718 Q C -1.620 174.184 176.000 -0.327 0.000 0.943 718 Q CA -0.558 55.110 55.803 -0.225 0.000 0.813 718 Q CB 2.118 30.535 28.738 -0.534 0.000 1.477 718 Q HN 0.634 nan 8.270 nan 0.000 0.393 719 Q N 1.000 120.516 119.800 -0.474 0.000 2.495 719 Q HA 0.760 5.109 4.340 0.016 0.000 0.287 719 Q C -0.916 174.908 176.000 -0.293 0.000 1.078 719 Q CA -0.905 54.832 55.803 -0.110 0.000 0.793 719 Q CB 2.677 31.619 28.738 0.339 0.000 1.459 719 Q HN 0.579 nan 8.270 nan 0.000 0.422 720 W N 0.215 121.681 121.300 0.278 0.000 3.107 720 W HA 0.449 5.119 4.660 0.015 0.000 0.331 720 W C -0.477 176.011 176.519 -0.052 0.000 1.204 720 W CA -0.766 56.651 57.345 0.119 0.000 1.184 720 W CB 2.069 31.554 29.460 0.043 0.000 1.421 720 W HN 0.430 nan 8.180 nan 0.000 0.544 721 R N 1.875 122.276 120.500 -0.165 0.000 2.298 721 R HA 0.405 4.754 4.340 0.016 0.000 0.310 721 R C 0.416 176.572 176.300 -0.240 0.000 1.068 721 R CA -0.103 55.619 56.100 -0.630 0.000 0.957 721 R CB 0.943 30.803 30.300 -0.734 0.000 1.003 721 R HN 0.298 nan 8.270 nan 0.000 0.454 722 L N 1.501 122.594 121.223 -0.217 0.000 2.812 722 L HA 0.504 4.853 4.340 0.016 0.000 0.172 722 L C 0.751 177.538 176.870 -0.139 0.000 1.892 722 L CA -0.924 53.846 54.840 -0.116 0.000 2.525 722 L CB -0.123 41.905 42.059 -0.052 0.000 2.930 722 L HN 0.579 nan 8.230 nan 0.000 0.625 723 A N 0.182 122.948 122.820 -0.091 0.000 2.406 723 A HA 0.226 4.555 4.320 0.016 0.000 0.243 723 A C -0.306 177.223 177.584 -0.092 0.000 1.082 723 A CA 0.153 52.142 52.037 -0.081 0.000 0.786 723 A CB 0.220 19.192 19.000 -0.047 0.000 1.029 723 A HN 0.629 nan 8.150 nan 0.000 0.495 724 E N 0.724 120.877 120.200 -0.078 0.000 2.248 724 E HA 0.324 4.683 4.350 0.016 0.000 0.267 724 E C -1.484 175.099 176.600 -0.029 0.000 0.877 724 E CA -0.709 55.652 56.400 -0.065 0.000 0.759 724 E CB 0.945 30.594 29.700 -0.084 0.000 1.182 724 E HN 0.649 nan 8.360 nan 0.000 0.418 725 N N 5.013 123.708 118.700 -0.009 0.000 2.564 725 N HA 0.266 5.016 4.740 0.016 0.000 0.248 725 N C -0.632 174.886 175.510 0.014 0.000 0.986 725 N CA -0.332 52.720 53.050 0.004 0.000 0.921 725 N CB 1.090 39.583 38.487 0.009 0.000 1.136 725 N HN 0.504 nan 8.380 nan 0.000 0.509 726 L N 0.875 122.105 121.223 0.012 0.000 2.453 726 L HA 0.074 4.424 4.340 0.016 0.000 0.272 726 L C 1.305 178.191 176.870 0.027 0.000 1.182 726 L CA 0.173 55.026 54.840 0.022 0.000 0.858 726 L CB 0.446 42.516 42.059 0.019 0.000 1.120 726 L HN 0.346 nan 8.230 nan 0.000 0.474 727 S N 1.829 117.550 115.700 0.036 0.000 2.510 727 S HA 0.197 4.677 4.470 0.016 0.000 0.279 727 S C 0.765 175.385 174.600 0.032 0.000 1.284 727 S CA -0.797 57.425 58.200 0.036 0.000 1.059 727 S CB 0.736 63.963 63.200 0.045 0.000 0.901 727 S HN 0.459 nan 8.310 nan 0.000 0.491 728 V N 2.286 122.216 119.914 0.026 0.000 3.605 728 V HA 0.258 4.388 4.120 0.016 0.000 0.284 728 V C 0.892 176.999 176.094 0.022 0.000 1.386 728 V CA 0.163 62.477 62.300 0.023 0.000 1.053 728 V CB -1.004 30.830 31.823 0.018 0.000 0.857 728 V HN 0.865 nan 8.190 nan 0.000 0.436 729 T N 0.663 115.231 114.554 0.023 0.000 2.916 729 T HA 0.490 4.849 4.350 0.016 0.000 0.303 729 T C -0.268 174.445 174.700 0.022 0.000 1.025 729 T CA -0.164 61.949 62.100 0.021 0.000 1.142 729 T CB 1.246 70.126 68.868 0.020 0.000 0.947 729 T HN 0.264 nan 8.240 nan 0.000 0.544 730 L N 5.082 126.314 121.223 0.016 0.000 2.360 730 L HA 0.350 4.700 4.340 0.016 0.000 0.276 730 L C -1.370 175.506 176.870 0.010 0.000 1.121 730 L CA -1.593 53.255 54.840 0.013 0.000 0.845 730 L CB 0.420 42.484 42.059 0.008 0.000 1.143 730 L HN 0.673 nan 8.230 nan 0.000 0.452 731 P HA 0.236 nan 4.420 nan 0.000 0.274 731 P C -0.727 176.566 177.300 -0.013 0.000 1.231 731 P CA -0.607 62.498 63.100 0.008 0.000 0.790 731 P CB 0.755 32.467 31.700 0.020 0.000 0.951 732 A N 1.754 124.560 122.820 -0.024 0.000 2.583 732 A HA 0.382 4.712 4.320 0.016 0.000 0.231 732 A C 0.675 178.195 177.584 -0.106 0.000 1.065 732 A CA 0.294 52.297 52.037 -0.058 0.000 0.760 732 A CB -0.568 18.396 19.000 -0.060 0.000 1.001 732 A HN 0.734 nan 8.150 nan 0.000 0.509 733 A N 1.707 124.448 122.820 -0.132 0.000 2.340 733 A HA 0.510 4.839 4.320 0.016 0.000 0.268 733 A C 0.754 178.128 177.584 -0.350 0.000 1.100 733 A CA -0.054 51.889 52.037 -0.157 0.000 0.803 733 A CB 0.153 19.100 19.000 -0.089 0.000 1.043 733 A HN 1.002 nan 8.150 nan 0.000 0.488 734 S N 1.312 116.851 115.700 -0.267 0.000 2.700 734 S HA 0.167 4.647 4.470 0.016 0.000 0.321 734 S C 0.995 175.670 174.600 0.126 0.000 1.161 734 S CA -0.372 57.697 58.200 -0.219 0.000 1.078 734 S CB -0.538 62.731 63.200 0.114 0.000 1.302 734 S HN 0.765 nan 8.310 nan 0.000 0.540 735 H N 1.606 120.690 119.070 0.023 0.000 2.550 735 H HA 0.241 4.807 4.556 0.016 0.000 0.292 735 H C 0.509 175.851 175.328 0.022 0.000 1.072 735 H CA 0.533 56.593 56.048 0.021 0.000 1.217 735 H CB -0.527 29.249 29.762 0.023 0.000 1.355 735 H HN 0.523 nan 8.280 nan 0.000 0.586 736 A N -0.177 122.873 122.820 0.383 0.000 2.590 736 A HA 0.520 4.850 4.320 0.016 0.000 0.294 736 A C -1.372 176.282 177.584 0.117 0.000 1.046 736 A CA -0.612 51.499 52.037 0.122 0.000 0.684 736 A CB 0.674 19.653 19.000 -0.035 0.000 1.279 736 A HN 0.309 nan 8.150 nan 0.000 0.415 737 I N 1.441 122.056 120.570 0.075 0.000 2.441 737 I HA 0.775 4.955 4.170 0.016 0.000 0.295 737 I C -2.468 173.690 176.117 0.069 0.000 0.994 737 I CA -2.149 59.192 61.300 0.068 0.000 1.144 737 I CB 1.986 40.020 38.000 0.056 0.000 1.314 737 I HN 0.408 nan 8.210 nan 0.000 0.445 738 P HA 0.157 nan 4.420 nan 0.000 0.272 738 P C -1.582 175.780 177.300 0.104 0.000 1.223 738 P CA 0.232 63.377 63.100 0.074 0.000 0.784 738 P CB 0.308 32.007 31.700 -0.002 0.000 0.923 739 H N 1.550 120.644 119.070 0.040 0.000 2.481 739 H HA 0.479 5.045 4.556 0.016 0.000 0.333 739 H C -1.081 174.271 175.328 0.040 0.000 1.066 739 H CA -0.883 55.182 56.048 0.028 0.000 1.209 739 H CB 0.532 30.312 29.762 0.029 0.000 1.445 739 H HN 0.158 nan 8.280 nan 0.000 0.488 740 L N 4.810 125.711 121.223 -0.538 0.000 2.290 740 L HA 0.427 4.776 4.340 0.016 0.000 0.284 740 L C -0.609 175.912 176.870 -0.582 0.000 1.078 740 L CA 0.284 54.876 54.840 -0.413 0.000 0.815 740 L CB 1.151 43.020 42.059 -0.317 0.000 1.162 740 L HN 0.737 nan 8.230 nan 0.000 0.435 741 T N 4.048 118.479 114.554 -0.206 0.000 2.812 741 T HA 0.538 4.898 4.350 0.016 0.000 0.282 741 T C -0.349 174.399 174.700 0.081 0.000 0.990 741 T CA -0.301 61.770 62.100 -0.050 0.000 0.960 741 T CB 1.009 69.919 68.868 0.071 0.000 0.948 741 T HN 0.754 nan 8.240 nan 0.000 0.438 742 T N 2.487 117.101 114.554 0.101 0.000 2.943 742 T HA 0.775 5.134 4.350 0.016 0.000 0.284 742 T C -0.223 174.538 174.700 0.103 0.000 1.015 742 T CA -0.682 61.528 62.100 0.183 0.000 1.042 742 T CB 1.521 70.524 68.868 0.225 0.000 1.055 742 T HN 0.643 nan 8.240 nan 0.000 0.500 743 S N 0.019 115.760 115.700 0.068 0.000 2.615 743 S HA 0.355 4.835 4.470 0.016 0.000 0.269 743 S C 0.548 175.115 174.600 -0.054 0.000 1.161 743 S CA -0.695 57.510 58.200 0.009 0.000 0.817 743 S CB 1.621 64.828 63.200 0.012 0.000 1.131 743 S HN 0.667 nan 8.310 nan 0.000 0.467 744 E N -0.038 120.134 120.200 -0.047 0.000 2.106 744 E HA -0.069 4.291 4.350 0.016 0.000 0.192 744 E C 1.300 177.831 176.600 -0.115 0.000 0.984 744 E CA 1.202 57.560 56.400 -0.070 0.000 0.806 744 E CB -0.083 29.593 29.700 -0.039 0.000 0.750 744 E HN 0.637 nan 8.360 nan 0.000 0.458 745 M N 0.115 119.661 119.600 -0.091 0.000 2.492 745 M HA 0.045 4.534 4.480 0.016 0.000 0.255 745 M C -0.663 175.566 176.300 -0.118 0.000 1.139 745 M CA 0.539 55.786 55.300 -0.089 0.000 1.096 745 M CB 0.844 33.423 32.600 -0.034 0.000 1.360 745 M HN -0.206 nan 8.290 nan 0.000 0.480 746 D N -1.692 118.621 120.400 -0.145 0.000 2.609 746 D HA 0.309 4.958 4.640 0.016 0.000 0.239 746 D C -1.445 174.789 176.300 -0.110 0.000 1.229 746 D CA -0.275 53.665 54.000 -0.100 0.000 0.808 746 D CB 1.419 42.243 40.800 0.039 0.000 1.448 746 D HN -0.077 nan 8.370 nan 0.000 0.433 747 F N 0.865 120.889 119.950 0.124 0.000 2.427 747 F HA 0.386 4.922 4.527 0.016 0.000 0.348 747 F C 0.027 175.947 175.800 0.200 0.000 1.125 747 F CA -0.771 57.294 58.000 0.109 0.000 0.989 747 F CB 1.330 40.358 39.000 0.046 0.000 1.165 747 F HN 0.026 nan 8.300 nan 0.000 0.442 748 C N 4.639 124.133 119.300 0.323 0.000 2.382 748 C HA 0.720 5.190 4.460 0.016 0.000 0.327 748 C C -0.216 174.920 174.990 0.242 0.000 1.250 748 C CA -0.721 58.467 59.018 0.283 0.000 1.707 748 C CB 0.905 28.750 27.740 0.176 0.000 2.272 748 C HN 0.534 nan 8.230 nan 0.000 0.506 749 I N 2.487 123.262 120.570 0.341 0.000 2.474 749 I HA 0.491 4.671 4.170 0.016 0.000 0.294 749 I C 0.033 176.411 176.117 0.436 0.000 1.005 749 I CA -0.039 61.440 61.300 0.299 0.000 1.113 749 I CB 1.249 39.377 38.000 0.213 0.000 1.289 749 I HN 0.578 nan 8.210 nan 0.000 0.436 750 E N 4.844 125.238 120.200 0.323 0.000 2.248 750 E HA 0.685 5.045 4.350 0.016 0.000 0.267 750 E C -1.842 174.934 176.600 0.293 0.000 0.877 750 E CA -0.894 55.687 56.400 0.303 0.000 0.759 750 E CB 2.679 32.473 29.700 0.157 0.000 1.182 750 E HN 0.441 nan 8.360 nan 0.000 0.418 751 L N 3.725 125.132 121.223 0.307 0.000 2.528 751 L HA 0.459 4.809 4.340 0.016 0.000 0.267 751 L C 0.284 177.222 176.870 0.113 0.000 0.961 751 L CA 0.545 55.517 54.840 0.220 0.000 0.866 751 L CB 1.375 43.624 42.059 0.318 0.000 1.248 751 L HN 0.766 nan 8.230 nan 0.000 0.404 752 G N 4.567 113.391 108.800 0.041 0.000 2.684 752 G HA2 -0.457 3.512 3.960 0.016 0.000 0.332 752 G HA3 -0.457 3.512 3.960 0.016 0.000 0.332 752 G C 0.558 175.449 174.900 -0.015 0.000 1.306 752 G CA 0.812 45.911 45.100 -0.003 0.000 1.002 752 G HN 1.314 nan 8.290 nan 0.000 0.545 753 N N 1.414 120.094 118.700 -0.034 0.000 2.362 753 N HA 0.142 4.891 4.740 0.016 0.000 0.204 753 N C 0.351 175.807 175.510 -0.091 0.000 1.166 753 N CA 0.718 53.734 53.050 -0.057 0.000 0.831 753 N CB 0.181 38.636 38.487 -0.054 0.000 1.008 753 N HN 0.711 nan 8.380 nan 0.000 0.472 754 K N 0.127 120.465 120.400 -0.104 0.000 2.156 754 K HA 0.551 4.881 4.320 0.016 0.000 0.250 754 K C -0.607 175.814 176.600 -0.297 0.000 0.955 754 K CA -0.659 55.455 56.287 -0.288 0.000 0.855 754 K CB 1.494 33.747 32.500 -0.412 0.000 1.101 754 K HN 0.001 nan 8.250 nan 0.000 0.434 755 R N 0.730 120.961 120.500 -0.448 0.000 2.651 755 R HA 0.436 4.785 4.340 0.016 0.000 0.278 755 R C -1.392 174.771 176.300 -0.228 0.000 1.010 755 R CA -0.676 55.342 56.100 -0.135 0.000 0.896 755 R CB 1.551 31.835 30.300 -0.027 0.000 1.211 755 R HN 0.534 nan 8.270 nan 0.000 0.456 756 W N 2.040 123.431 121.300 0.152 0.000 2.785 756 W HA 0.434 5.103 4.660 0.016 0.000 0.333 756 W C -0.634 175.955 176.519 0.116 0.000 1.062 756 W CA -0.587 56.798 57.345 0.067 0.000 1.233 756 W CB 2.347 31.835 29.460 0.048 0.000 1.413 756 W HN 0.388 nan 8.180 nan 0.000 0.489 757 Q N 2.556 122.475 119.800 0.198 0.000 2.325 757 Q HA 0.409 4.758 4.340 0.016 0.000 0.270 757 Q C -1.782 174.132 176.000 -0.144 0.000 1.020 757 Q CA -0.510 55.392 55.803 0.165 0.000 0.785 757 Q CB 1.301 30.204 28.738 0.276 0.000 1.259 757 Q HN 0.336 nan 8.270 nan 0.000 0.452 758 F N 2.900 122.925 119.950 0.125 0.000 2.404 758 F HA 0.300 4.837 4.527 0.016 0.000 0.354 758 F C 0.606 176.422 175.800 0.026 0.000 1.122 758 F CA -0.852 57.186 58.000 0.063 0.000 1.080 758 F CB 1.090 40.134 39.000 0.072 0.000 1.131 758 F HN 0.482 nan 8.300 nan 0.000 0.471 759 N N 3.678 122.463 118.700 0.142 0.000 2.442 759 N HA 0.091 4.840 4.740 0.016 0.000 0.265 759 N C 0.919 176.434 175.510 0.009 0.000 1.138 759 N CA 0.005 53.094 53.050 0.065 0.000 0.956 759 N CB 0.738 39.273 38.487 0.081 0.000 1.067 759 N HN 0.662 nan 8.380 nan 0.000 0.474 760 R N 2.238 122.665 120.500 -0.121 0.000 2.189 760 R HA -0.147 4.203 4.340 0.016 0.000 0.218 760 R C 1.606 177.826 176.300 -0.133 0.000 1.074 760 R CA 1.324 57.289 56.100 -0.225 0.000 0.991 760 R CB 0.121 30.151 30.300 -0.450 0.000 0.883 760 R HN 0.714 nan 8.270 nan 0.000 0.457 761 Q N 0.000 119.756 119.800 -0.074 0.000 2.204 761 Q HA -0.001 4.349 4.340 0.016 0.000 0.198 761 Q C 1.882 177.868 176.000 -0.022 0.000 0.946 761 Q CA 1.447 57.222 55.803 -0.046 0.000 0.859 761 Q CB -0.003 28.722 28.738 -0.023 0.000 0.946 761 Q HN 0.168 nan 8.270 nan 0.000 0.474 762 S N -0.500 115.214 115.700 0.022 0.000 2.439 762 S HA 0.305 4.784 4.470 0.016 0.000 0.224 762 S C 1.685 176.231 174.600 -0.090 0.000 1.029 762 S CA 0.316 58.558 58.200 0.071 0.000 0.946 762 S CB -0.097 63.246 63.200 0.238 0.000 0.797 762 S HN 0.846 nan 8.310 nan 0.000 0.504 763 G N 0.430 109.179 108.800 -0.085 0.000 2.143 763 G HA2 -0.214 3.755 3.960 0.016 0.000 0.249 763 G HA3 -0.214 3.755 3.960 0.016 0.000 0.249 763 G C -0.093 174.733 174.900 -0.124 0.000 0.981 763 G CA 0.247 45.271 45.100 -0.127 0.000 0.665 763 G HN 0.530 nan 8.290 nan 0.000 0.528 764 F N -1.268 118.854 119.950 0.286 0.000 2.575 764 F HA 0.685 5.222 4.527 0.016 0.000 0.330 764 F C 0.525 176.366 175.800 0.068 0.000 1.056 764 F CA -1.483 56.658 58.000 0.235 0.000 0.964 764 F CB 1.366 40.455 39.000 0.148 0.000 1.258 764 F HN 0.011 nan 8.300 nan 0.000 0.484 765 L N 1.847 123.141 121.223 0.119 0.000 2.456 765 L HA 0.148 4.498 4.340 0.016 0.000 0.277 765 L C 0.947 177.711 176.870 -0.177 0.000 1.124 765 L CA 0.437 54.991 54.840 -0.477 0.000 0.880 765 L CB 0.318 42.079 42.059 -0.496 0.000 1.192 765 L HN 0.688 nan 8.230 nan 0.000 0.463 766 S N 2.527 118.121 115.700 -0.176 0.000 2.503 766 S HA 0.254 4.734 4.470 0.016 0.000 0.215 766 S C 0.563 175.047 174.600 -0.192 0.000 1.003 766 S CA -0.055 58.089 58.200 -0.093 0.000 0.910 766 S CB 0.097 63.290 63.200 -0.011 0.000 0.790 766 S HN 0.686 nan 8.310 nan 0.000 0.514 767 Q N -0.268 119.364 119.800 -0.280 0.000 2.578 767 Q HA 0.663 5.012 4.340 0.016 0.000 0.284 767 Q C -2.048 173.649 176.000 -0.505 0.000 0.960 767 Q CA -0.299 55.227 55.803 -0.461 0.000 0.809 767 Q CB 1.554 29.907 28.738 -0.641 0.000 1.462 767 Q HN 0.405 nan 8.270 nan 0.000 0.392 768 M N 1.429 120.623 119.600 -0.677 0.000 2.470 768 M HA 0.580 5.070 4.480 0.016 0.000 0.285 768 M C -1.521 174.449 176.300 -0.550 0.000 1.213 768 M CA -0.419 54.565 55.300 -0.526 0.000 0.901 768 M CB 2.269 34.525 32.600 -0.574 0.000 1.718 768 M HN 0.513 nan 8.290 nan 0.000 0.469 769 W N 3.163 124.230 121.300 -0.389 0.000 2.819 769 W HA 0.628 5.297 4.660 0.016 0.000 0.337 769 W C -1.260 175.059 176.519 -0.334 0.000 1.077 769 W CA -0.673 56.498 57.345 -0.288 0.000 1.226 769 W CB 1.698 31.033 29.460 -0.209 0.000 1.419 769 W HN 0.469 nan 8.180 nan 0.000 0.502 770 I N 3.101 123.670 120.570 -0.001 0.000 2.437 770 I HA 0.363 4.543 4.170 0.016 0.000 0.279 770 I C 0.837 176.948 176.117 -0.009 0.000 1.028 770 I CA 0.149 61.405 61.300 -0.073 0.000 1.142 770 I CB 0.876 38.808 38.000 -0.113 0.000 1.266 770 I HN 0.746 nan 8.210 nan 0.000 0.461 771 G N 5.869 114.658 108.800 -0.019 0.000 2.556 771 G HA2 -0.333 3.636 3.960 0.016 0.000 0.283 771 G HA3 -0.333 3.636 3.960 0.016 0.000 0.283 771 G C 0.529 175.452 174.900 0.038 0.000 1.177 771 G CA 0.534 45.625 45.100 -0.016 0.000 0.978 771 G HN 0.791 nan 8.290 nan 0.000 0.554 772 D N 0.905 121.337 120.400 0.053 0.000 2.340 772 D HA 0.192 4.842 4.640 0.016 0.000 0.217 772 D C 0.794 177.238 176.300 0.239 0.000 1.081 772 D CA 0.749 54.823 54.000 0.124 0.000 0.842 772 D CB 0.211 41.037 40.800 0.043 0.000 0.934 772 D HN 0.645 nan 8.370 nan 0.000 0.511 773 K N 1.352 121.847 120.400 0.158 0.000 2.211 773 K HA 0.286 4.615 4.320 0.016 0.000 0.275 773 K C -0.481 176.089 176.600 -0.049 0.000 1.024 773 K CA -0.657 55.668 56.287 0.064 0.000 0.887 773 K CB 1.305 33.801 32.500 -0.008 0.000 1.084 773 K HN -0.306 nan 8.250 nan 0.000 0.463 774 K N 3.159 123.435 120.400 -0.207 0.000 2.412 774 K HA 0.017 4.347 4.320 0.016 0.000 0.281 774 K C 0.497 176.879 176.600 -0.362 0.000 1.027 774 K CA 0.008 55.952 56.287 -0.572 0.000 0.989 774 K CB 0.716 32.928 32.500 -0.482 0.000 0.935 774 K HN 0.605 nan 8.250 nan 0.000 0.475 775 Q N 1.943 121.506 119.800 -0.395 0.000 2.396 775 Q HA 0.137 4.486 4.340 0.016 0.000 0.209 775 Q C 0.106 176.024 176.000 -0.137 0.000 0.906 775 Q CA 0.535 56.240 55.803 -0.162 0.000 0.927 775 Q CB 0.367 29.072 28.738 -0.055 0.000 1.069 775 Q HN 0.499 nan 8.270 nan 0.000 0.523 776 L N 0.213 121.284 121.223 -0.252 0.000 2.342 776 L HA 0.372 4.722 4.340 0.016 0.000 0.271 776 L C 0.946 177.686 176.870 -0.217 0.000 1.008 776 L CA -0.437 54.284 54.840 -0.199 0.000 0.818 776 L CB 1.619 43.556 42.059 -0.203 0.000 1.296 776 L HN -0.106 nan 8.230 nan 0.000 0.427 777 L N 0.029 121.122 121.223 -0.218 0.000 2.470 777 L HA 0.246 4.596 4.340 0.016 0.000 0.219 777 L C 0.120 176.876 176.870 -0.190 0.000 1.071 777 L CA 0.710 55.425 54.840 -0.208 0.000 0.850 777 L CB 0.548 42.464 42.059 -0.238 0.000 1.040 777 L HN 0.619 nan 8.230 nan 0.000 0.475 778 T N -0.154 114.268 114.554 -0.220 0.000 2.933 778 T HA 0.389 4.748 4.350 0.016 0.000 0.305 778 T C -2.574 172.059 174.700 -0.112 0.000 1.092 778 T CA -1.069 60.949 62.100 -0.136 0.000 1.008 778 T CB 2.579 71.359 68.868 -0.146 0.000 1.102 778 T HN -0.290 nan 8.240 nan 0.000 0.469 779 P HA 0.180 nan 4.420 nan 0.000 0.270 779 P C -0.664 176.599 177.300 -0.061 0.000 1.227 779 P CA -0.724 62.344 63.100 -0.053 0.000 0.788 779 P CB 0.426 32.126 31.700 -0.001 0.000 0.926 780 L N 2.868 124.086 121.223 -0.008 0.000 2.325 780 L HA 0.239 4.589 4.340 0.016 0.000 0.284 780 L C 0.086 176.887 176.870 -0.115 0.000 1.089 780 L CA 0.595 55.460 54.840 0.042 0.000 0.836 780 L CB -0.690 41.501 42.059 0.220 0.000 1.184 780 L HN 0.267 nan 8.230 nan 0.000 0.444 781 R N 3.008 123.344 120.500 -0.274 0.000 2.807 781 R HA 0.449 4.799 4.340 0.016 0.000 0.276 781 R C -0.917 175.214 176.300 -0.282 0.000 0.979 781 R CA -1.078 54.666 56.100 -0.594 0.000 0.928 781 R CB 1.308 31.180 30.300 -0.713 0.000 1.191 781 R HN 0.546 nan 8.270 nan 0.000 0.471 782 D N 1.311 121.601 120.400 -0.182 0.000 2.400 782 D HA 0.022 4.672 4.640 0.016 0.000 0.238 782 D C -0.352 175.565 176.300 -0.639 0.000 1.157 782 D CA 0.552 54.321 54.000 -0.386 0.000 0.889 782 D CB 0.678 41.210 40.800 -0.447 0.000 1.199 782 D HN 0.216 nan 8.370 nan 0.000 0.436 783 Q N 1.054 120.278 119.800 -0.960 0.000 2.305 783 Q HA 0.382 4.731 4.340 0.016 0.000 0.271 783 Q C -1.287 174.003 176.000 -1.183 0.000 1.046 783 Q CA -0.610 54.705 55.803 -0.813 0.000 0.798 783 Q CB 0.914 29.360 28.738 -0.486 0.000 1.286 783 Q HN 0.560 nan 8.270 nan 0.000 0.435 784 F N 0.682 120.232 119.950 -0.668 0.000 2.781 784 F HA 0.206 4.742 4.527 0.016 0.000 0.322 784 F C 0.421 175.768 175.800 -0.754 0.000 1.108 784 F CA -0.192 57.307 58.000 -0.836 0.000 1.179 784 F CB 1.598 39.762 39.000 -1.393 0.000 1.072 784 F HN 0.470 nan 8.300 nan 0.000 0.545 785 T N -0.946 113.298 114.554 -0.517 0.000 2.888 785 T HA 0.792 5.152 4.350 0.016 0.000 0.288 785 T C -0.590 173.847 174.700 -0.438 0.000 1.063 785 T CA -0.989 60.728 62.100 -0.637 0.000 1.010 785 T CB 2.742 71.173 68.868 -0.729 0.000 1.214 785 T HN 0.229 nan 8.240 nan 0.000 0.533 786 R N -0.243 120.043 120.500 -0.357 0.000 2.771 786 R HA 0.763 5.113 4.340 0.016 0.000 0.274 786 R C -0.803 175.539 176.300 0.069 0.000 0.987 786 R CA -1.239 54.784 56.100 -0.129 0.000 0.908 786 R CB 1.528 31.764 30.300 -0.107 0.000 1.213 786 R HN 0.839 nan 8.270 nan 0.000 0.468 787 A N 3.509 126.355 122.820 0.044 0.000 2.515 787 A HA 0.260 4.590 4.320 0.016 0.000 0.263 787 A C -1.962 175.674 177.584 0.087 0.000 1.096 787 A CA -1.124 50.937 52.037 0.040 0.000 0.769 787 A CB -0.516 18.458 19.000 -0.044 0.000 1.040 787 A HN 0.544 nan 8.150 nan 0.000 0.505 788 P HA 0.160 nan 4.420 nan 0.000 0.268 788 P C -0.232 177.171 177.300 0.172 0.000 1.204 788 P CA 0.227 63.470 63.100 0.239 0.000 0.768 788 P CB 0.499 32.388 31.700 0.315 0.000 0.842 789 L N 2.272 123.567 121.223 0.119 0.000 2.466 789 L HA 0.173 4.523 4.340 0.016 0.000 0.257 789 L C 1.832 178.709 176.870 0.012 0.000 1.189 789 L CA -0.457 54.387 54.840 0.007 0.000 0.813 789 L CB -0.049 41.939 42.059 -0.118 0.000 1.118 789 L HN 0.301 nan 8.230 nan 0.000 0.471 790 D N 0.377 120.719 120.400 -0.097 0.000 2.149 790 D HA -0.154 4.495 4.640 0.016 0.000 0.198 790 D C 1.637 177.843 176.300 -0.157 0.000 0.990 790 D CA 1.314 55.172 54.000 -0.236 0.000 0.839 790 D CB 0.054 40.623 40.800 -0.386 0.000 0.948 790 D HN 0.478 nan 8.370 nan 0.000 0.460 791 N N 1.057 119.683 118.700 -0.124 0.000 2.223 791 N HA -0.115 4.635 4.740 0.016 0.000 0.185 791 N C 1.169 176.682 175.510 0.005 0.000 1.016 791 N CA 0.794 53.802 53.050 -0.069 0.000 0.863 791 N CB -0.176 38.259 38.487 -0.086 0.000 0.983 791 N HN 0.275 nan 8.380 nan 0.000 0.429 792 D N 0.191 120.613 120.400 0.036 0.000 2.194 792 D HA 0.045 4.694 4.640 0.016 0.000 0.204 792 D C 1.994 178.332 176.300 0.064 0.000 0.964 792 D CA 0.353 54.410 54.000 0.095 0.000 0.846 792 D CB 0.113 41.044 40.800 0.219 0.000 0.962 792 D HN 0.310 nan 8.370 nan 0.000 0.490 793 I N 0.402 120.996 120.570 0.039 0.000 2.400 793 I HA 0.030 4.210 4.170 0.016 0.000 0.248 793 I C 1.804 177.936 176.117 0.024 0.000 1.109 793 I CA 0.730 62.044 61.300 0.022 0.000 1.425 793 I CB -0.303 37.682 38.000 -0.025 0.000 1.094 793 I HN 0.067 nan 8.210 nan 0.000 0.425 794 G N 1.067 109.892 108.800 0.042 0.000 2.550 794 G HA2 -0.336 3.634 3.960 0.016 0.000 0.277 794 G HA3 -0.336 3.634 3.960 0.016 0.000 0.277 794 G C 0.675 175.727 174.900 0.252 0.000 1.190 794 G CA 0.699 45.884 45.100 0.142 0.000 0.971 794 G HN 0.504 nan 8.290 nan 0.000 0.559 795 V N -1.915 118.098 119.914 0.165 0.000 3.647 795 V HA 0.575 4.705 4.120 0.016 0.000 0.279 795 V C 1.382 177.495 176.094 0.031 0.000 1.314 795 V CA 1.299 63.646 62.300 0.079 0.000 1.125 795 V CB 0.066 31.834 31.823 -0.093 0.000 0.907 795 V HN 1.247 nan 8.190 nan 0.000 0.434 796 S N 1.118 116.835 115.700 0.028 0.000 2.552 796 S HA 0.261 4.740 4.470 0.016 0.000 0.289 796 S C -0.108 174.499 174.600 0.012 0.000 1.304 796 S CA 0.227 58.429 58.200 0.004 0.000 1.063 796 S CB 0.218 63.416 63.200 -0.004 0.000 0.848 796 S HN 0.814 nan 8.310 nan 0.000 0.499 797 E N 1.426 121.628 120.200 0.003 0.000 2.383 797 E HA 0.571 4.930 4.350 0.016 0.000 0.275 797 E C 0.402 177.009 176.600 0.011 0.000 0.918 797 E CA -0.427 55.980 56.400 0.012 0.000 0.764 797 E CB 1.472 31.176 29.700 0.007 0.000 1.252 797 E HN 0.593 nan 8.360 nan 0.000 0.449 798 A N 1.210 124.043 122.820 0.021 0.000 1.978 798 A HA -0.142 4.188 4.320 0.016 0.000 0.220 798 A C 1.852 179.444 177.584 0.014 0.000 1.170 798 A CA 2.142 54.191 52.037 0.020 0.000 0.636 798 A CB -0.337 18.680 19.000 0.028 0.000 0.810 798 A HN 0.502 nan 8.150 nan 0.000 0.448 799 T N -2.053 112.508 114.554 0.012 0.000 3.107 799 T HA 0.209 4.569 4.350 0.016 0.000 0.249 799 T C 0.632 175.328 174.700 -0.006 0.000 1.096 799 T CA 0.196 62.299 62.100 0.005 0.000 1.012 799 T CB -0.302 68.570 68.868 0.008 0.000 0.977 799 T HN 0.460 nan 8.240 nan 0.000 0.527 800 R N 1.192 121.687 120.500 -0.010 0.000 3.107 800 R HA 0.216 4.565 4.340 0.016 0.000 0.224 800 R C -1.478 174.809 176.300 -0.023 0.000 1.734 800 R CA -0.531 55.555 56.100 -0.022 0.000 1.303 800 R CB -0.299 29.980 30.300 -0.034 0.000 1.570 800 R HN 0.091 nan 8.270 nan 0.000 0.606 801 I N 2.172 122.730 120.570 -0.018 0.000 2.618 801 I HA 0.011 4.191 4.170 0.016 0.000 0.284 801 I C 0.367 176.463 176.117 -0.034 0.000 1.146 801 I CA -0.077 61.211 61.300 -0.020 0.000 1.425 801 I CB 0.779 38.770 38.000 -0.015 0.000 1.383 801 I HN 0.435 nan 8.210 nan 0.000 0.562 802 D N 9.296 129.672 120.400 -0.040 0.000 2.473 802 D HA 0.296 4.946 4.640 0.016 0.000 0.226 802 D C -1.779 174.476 176.300 -0.076 0.000 1.089 802 D CA -2.241 51.725 54.000 -0.057 0.000 0.883 802 D CB 1.472 42.240 40.800 -0.054 0.000 1.029 802 D HN 0.204 nan 8.370 nan 0.000 0.517 803 P HA -0.126 nan 4.420 nan 0.000 0.223 803 P C 0.890 178.100 177.300 -0.150 0.000 1.144 803 P CA 0.718 63.760 63.100 -0.096 0.000 0.783 803 P CB 0.226 31.878 31.700 -0.080 0.000 0.771 804 N N -0.227 118.378 118.700 -0.157 0.000 2.416 804 N HA 0.003 4.753 4.740 0.016 0.000 0.177 804 N C 0.505 175.829 175.510 -0.311 0.000 1.036 804 N CA -0.110 52.804 53.050 -0.227 0.000 0.901 804 N CB -0.019 38.359 38.487 -0.181 0.000 0.976 804 N HN -0.041 nan 8.380 nan 0.000 0.444 805 A N 0.476 123.161 122.820 -0.225 0.000 2.520 805 A HA -0.072 4.257 4.320 0.016 0.000 0.235 805 A C 0.605 177.987 177.584 -0.336 0.000 1.065 805 A CA -0.187 51.718 52.037 -0.219 0.000 0.764 805 A CB -0.197 18.744 19.000 -0.099 0.000 1.002 805 A HN 0.510 nan 8.150 nan 0.000 0.502 806 W N 1.601 122.651 121.300 -0.417 0.000 2.335 806 W HA -0.164 4.505 4.660 0.016 0.000 0.311 806 W C 2.217 178.153 176.519 -0.972 0.000 1.213 806 W CA 1.714 58.553 57.345 -0.843 0.000 1.274 806 W CB -0.230 28.611 29.460 -1.031 0.000 1.148 806 W HN 0.555 nan 8.180 nan 0.000 0.498 807 V N 0.738 120.525 119.914 -0.212 0.000 2.490 807 V HA -0.241 3.889 4.120 0.016 0.000 0.250 807 V C 2.056 178.235 176.094 0.142 0.000 1.061 807 V CA 1.972 64.363 62.300 0.152 0.000 1.064 807 V CB -0.302 31.667 31.823 0.243 0.000 0.670 807 V HN 0.079 nan 8.190 nan 0.000 0.461 808 E N -0.133 120.056 120.200 -0.018 0.000 2.112 808 E HA -0.118 4.241 4.350 0.016 0.000 0.190 808 E C 2.348 178.918 176.600 -0.050 0.000 0.979 808 E CA 0.787 57.179 56.400 -0.015 0.000 0.814 808 E CB -0.296 29.370 29.700 -0.058 0.000 0.762 808 E HN 0.596 nan 8.360 nan 0.000 0.460 809 R N -0.058 120.332 120.500 -0.184 0.000 2.083 809 R HA -0.133 4.217 4.340 0.016 0.000 0.237 809 R C 2.260 178.498 176.300 -0.103 0.000 1.137 809 R CA 1.359 57.324 56.100 -0.224 0.000 0.951 809 R CB -0.187 29.852 30.300 -0.434 0.000 0.851 809 R HN 0.264 nan 8.270 nan 0.000 0.434 810 W N 1.339 122.615 121.300 -0.039 0.000 2.381 810 W HA -0.064 4.606 4.660 0.016 0.000 0.301 810 W C 1.993 178.503 176.519 -0.016 0.000 1.205 810 W CA 0.665 57.904 57.345 -0.176 0.000 1.285 810 W CB -0.623 28.856 29.460 0.031 0.000 1.133 810 W HN 0.115 nan 8.180 nan 0.000 0.521 811 K N 0.224 120.864 120.400 0.400 0.000 2.002 811 K HA -0.082 4.248 4.320 0.016 0.000 0.209 811 K C 2.295 178.964 176.600 0.115 0.000 1.048 811 K CA 1.737 58.217 56.287 0.322 0.000 0.930 811 K CB -0.723 31.906 32.500 0.215 0.000 0.714 811 K HN -0.046 nan 8.250 nan 0.000 0.438 812 A N 1.378 124.234 122.820 0.059 0.000 1.986 812 A HA -0.166 4.164 4.320 0.016 0.000 0.220 812 A C 2.212 179.781 177.584 -0.025 0.000 1.171 812 A CA 2.002 54.049 52.037 0.016 0.000 0.640 812 A CB -0.635 18.364 19.000 -0.002 0.000 0.811 812 A HN 0.377 nan 8.150 nan 0.000 0.451 813 A N -2.185 120.603 122.820 -0.053 0.000 2.208 813 A HA 0.412 4.742 4.320 0.016 0.000 0.209 813 A C 1.820 179.309 177.584 -0.160 0.000 1.161 813 A CA 1.192 53.198 52.037 -0.050 0.000 0.782 813 A CB -0.808 18.152 19.000 -0.066 0.000 0.816 813 A HN 1.913 nan 8.150 nan 0.000 0.477 814 G N -1.532 107.085 108.800 -0.306 0.000 2.157 814 G HA2 -0.305 3.665 3.960 0.016 0.000 0.248 814 G HA3 -0.305 3.665 3.960 0.016 0.000 0.248 814 G C 0.653 175.562 174.900 0.015 0.000 0.979 814 G CA 0.646 45.405 45.100 -0.568 0.000 0.650 814 G HN 0.723 nan 8.290 nan 0.000 0.529 815 H N -1.361 117.694 119.070 -0.025 0.000 2.390 815 H HA -0.154 4.411 4.556 0.016 0.000 0.298 815 H C 2.254 177.547 175.328 -0.058 0.000 1.106 815 H CA 1.804 57.852 56.048 -0.001 0.000 1.297 815 H CB 0.056 29.761 29.762 -0.095 0.000 1.375 815 H HN 0.620 nan 8.280 nan 0.000 0.509 816 Y N 0.614 121.040 120.300 0.211 0.000 2.395 816 Y HA -0.105 4.454 4.550 0.016 0.000 0.293 816 Y C 2.451 178.438 175.900 0.145 0.000 1.123 816 Y CA 0.742 58.925 58.100 0.139 0.000 1.227 816 Y CB 0.255 38.784 38.460 0.114 0.000 1.012 816 Y HN 0.194 nan 8.280 nan 0.000 0.552 817 Q N -0.222 119.754 119.800 0.294 0.000 2.402 817 Q HA 0.212 4.561 4.340 0.016 0.000 0.206 817 Q C 0.813 176.997 176.000 0.306 0.000 0.919 817 Q CA 0.050 56.015 55.803 0.271 0.000 0.923 817 Q CB 0.292 29.185 28.738 0.258 0.000 1.048 817 Q HN 0.286 nan 8.270 nan 0.000 0.515 818 A N 2.624 125.645 122.820 0.334 0.000 2.531 818 A HA 0.035 4.364 4.320 0.016 0.000 0.236 818 A C 0.025 177.895 177.584 0.477 0.000 1.062 818 A CA 0.175 52.460 52.037 0.413 0.000 0.760 818 A CB 0.069 19.349 19.000 0.468 0.000 0.995 818 A HN 0.265 nan 8.150 nan 0.000 0.501 819 E N 1.333 121.753 120.200 0.366 0.000 2.238 819 E HA 0.639 4.999 4.350 0.016 0.000 0.267 819 E C -0.336 176.244 176.600 -0.033 0.000 0.887 819 E CA -0.835 55.722 56.400 0.262 0.000 0.769 819 E CB 1.674 31.489 29.700 0.192 0.000 1.187 819 E HN 0.755 nan 8.360 nan 0.000 0.416 820 A N 1.961 124.637 122.820 -0.240 0.000 2.498 820 A HA 0.462 4.791 4.320 0.016 0.000 0.239 820 A C -0.078 177.343 177.584 -0.271 0.000 1.068 820 A CA 0.218 51.808 52.037 -0.745 0.000 0.766 820 A CB 0.193 18.910 19.000 -0.472 0.000 1.003 820 A HN 0.704 nan 8.150 nan 0.000 0.497 821 A N 2.342 124.991 122.820 -0.285 0.000 2.304 821 A HA 0.567 4.897 4.320 0.016 0.000 0.314 821 A C -0.456 177.030 177.584 -0.163 0.000 1.187 821 A CA -0.569 51.388 52.037 -0.135 0.000 0.810 821 A CB 0.546 19.488 19.000 -0.097 0.000 1.183 821 A HN 1.348 nan 8.150 nan 0.000 0.487 822 L N 3.120 124.235 121.223 -0.180 0.000 2.410 822 L HA 0.328 4.678 4.340 0.016 0.000 0.273 822 L C 0.380 177.091 176.870 -0.265 0.000 1.152 822 L CA 0.373 54.985 54.840 -0.381 0.000 0.855 822 L CB 0.295 42.163 42.059 -0.320 0.000 1.129 822 L HN 0.768 nan 8.230 nan 0.000 0.463 823 L N 3.071 124.118 121.223 -0.294 0.000 2.577 823 L HA 0.339 4.688 4.340 0.016 0.000 0.225 823 L C 0.366 177.158 176.870 -0.129 0.000 1.053 823 L CA 0.044 54.792 54.840 -0.154 0.000 0.866 823 L CB 0.129 42.133 42.059 -0.092 0.000 1.132 823 L HN 0.745 nan 8.230 nan 0.000 0.486 824 Q N -0.364 119.333 119.800 -0.171 0.000 2.503 824 Q HA 0.297 4.647 4.340 0.016 0.000 0.268 824 Q C -2.118 173.825 176.000 -0.095 0.000 0.982 824 Q CA -0.491 55.255 55.803 -0.095 0.000 0.907 824 Q CB 3.036 31.746 28.738 -0.048 0.000 1.467 824 Q HN 0.066 nan 8.270 nan 0.000 0.394 825 C N 3.126 122.414 119.300 -0.020 0.000 2.789 825 C HA 0.776 5.246 4.460 0.016 0.000 0.367 825 C C -0.972 174.141 174.990 0.205 0.000 1.062 825 C CA 0.485 59.539 59.018 0.059 0.000 1.297 825 C CB 0.505 28.252 27.740 0.011 0.000 1.794 825 C HN 0.819 nan 8.230 nan 0.000 0.474 826 T N 2.425 117.065 114.554 0.142 0.000 2.906 826 T HA 0.904 5.263 4.350 0.016 0.000 0.295 826 T C -0.539 173.993 174.700 -0.281 0.000 1.075 826 T CA -0.307 61.827 62.100 0.056 0.000 1.005 826 T CB 1.922 70.776 68.868 -0.023 0.000 1.136 826 T HN 1.662 nan 8.240 nan 0.000 0.498 827 A N 1.494 123.897 122.820 -0.695 0.000 2.371 827 A HA 0.767 5.097 4.320 0.016 0.000 0.311 827 A C -1.201 176.092 177.584 -0.486 0.000 1.068 827 A CA -0.738 50.784 52.037 -0.858 0.000 0.744 827 A CB 1.215 19.244 19.000 -1.618 0.000 1.239 827 A HN 0.870 nan 8.150 nan 0.000 0.435 828 D N 1.048 121.243 120.400 -0.341 0.000 2.819 828 D HA 0.446 5.096 4.640 0.016 0.000 0.232 828 D C -0.967 175.222 176.300 -0.184 0.000 1.160 828 D CA -0.026 53.844 54.000 -0.217 0.000 0.858 828 D CB 2.319 43.031 40.800 -0.147 0.000 1.610 828 D HN 0.404 nan 8.370 nan 0.000 0.481 829 T N 1.971 116.441 114.554 -0.140 0.000 2.744 829 T HA 0.416 4.775 4.350 0.016 0.000 0.291 829 T C 0.626 175.283 174.700 -0.072 0.000 0.957 829 T CA -0.463 61.573 62.100 -0.107 0.000 1.002 829 T CB 0.730 69.543 68.868 -0.092 0.000 0.919 829 T HN 0.080 nan 8.240 nan 0.000 0.468 830 L N 1.719 122.905 121.223 -0.062 0.000 2.400 830 L HA 0.521 4.870 4.340 0.016 0.000 0.264 830 L C 1.942 178.798 176.870 -0.023 0.000 1.061 830 L CA -1.082 53.734 54.840 -0.041 0.000 0.799 830 L CB 0.444 42.480 42.059 -0.040 0.000 1.240 830 L HN 0.712 nan 8.230 nan 0.000 0.461 831 A N 0.731 123.543 122.820 -0.014 0.000 1.948 831 A HA -0.180 4.150 4.320 0.016 0.000 0.220 831 A C 0.988 178.576 177.584 0.005 0.000 1.177 831 A CA 2.153 54.188 52.037 -0.003 0.000 0.636 831 A CB -0.447 18.553 19.000 -0.001 0.000 0.815 831 A HN 0.910 nan 8.150 nan 0.000 0.449 832 D N -3.140 117.262 120.400 0.003 0.000 2.651 832 D HA 0.545 5.194 4.640 0.016 0.000 0.280 832 D C -0.109 176.195 176.300 0.007 0.000 1.496 832 D CA 0.628 54.638 54.000 0.016 0.000 0.792 832 D CB -0.456 40.356 40.800 0.021 0.000 1.144 832 D HN 0.503 nan 8.370 nan 0.000 0.470 833 A N -0.543 122.267 122.820 -0.017 0.000 2.599 833 A HA 0.663 4.992 4.320 0.016 0.000 0.290 833 A C -1.699 175.840 177.584 -0.074 0.000 1.101 833 A CA -0.699 51.312 52.037 -0.044 0.000 0.674 833 A CB 1.634 20.609 19.000 -0.041 0.000 1.277 833 A HN 0.022 nan 8.150 nan 0.000 0.419 834 V N 0.703 120.550 119.914 -0.113 0.000 2.495 834 V HA 0.605 4.734 4.120 0.016 0.000 0.298 834 V C -0.980 175.014 176.094 -0.165 0.000 1.031 834 V CA -0.428 61.781 62.300 -0.152 0.000 0.871 834 V CB 1.362 33.080 31.823 -0.174 0.000 0.988 834 V HN 0.824 nan 8.190 nan 0.000 0.432 835 L N 6.674 127.791 121.223 -0.176 0.000 2.316 835 L HA 0.630 4.980 4.340 0.016 0.000 0.280 835 L C -0.835 175.901 176.870 -0.223 0.000 1.006 835 L CA 0.014 54.760 54.840 -0.157 0.000 0.836 835 L CB 1.100 43.096 42.059 -0.107 0.000 1.221 835 L HN 0.397 nan 8.230 nan 0.000 0.418 836 I N 4.253 124.682 120.570 -0.235 0.000 2.354 836 I HA 0.409 4.588 4.170 0.016 0.000 0.292 836 I C 0.071 176.150 176.117 -0.063 0.000 0.989 836 I CA -0.222 60.889 61.300 -0.316 0.000 1.188 836 I CB 1.403 38.945 38.000 -0.764 0.000 1.342 836 I HN 0.554 nan 8.210 nan 0.000 0.457 837 T N 5.253 119.776 114.554 -0.051 0.000 2.779 837 T HA 0.624 4.984 4.350 0.016 0.000 0.280 837 T C 0.304 175.047 174.700 0.071 0.000 0.987 837 T CA -0.545 61.574 62.100 0.033 0.000 0.966 837 T CB 1.530 70.397 68.868 -0.003 0.000 0.933 837 T HN 0.760 nan 8.240 nan 0.000 0.442 838 T N -0.393 114.244 114.554 0.139 0.000 2.916 838 T HA 0.892 5.252 4.350 0.016 0.000 0.292 838 T C -1.082 173.682 174.700 0.106 0.000 1.064 838 T CA -1.111 61.058 62.100 0.116 0.000 1.011 838 T CB 2.053 71.059 68.868 0.230 0.000 1.152 838 T HN 0.784 nan 8.240 nan 0.000 0.510 839 A N 1.187 123.998 122.820 -0.013 0.000 2.488 839 A HA 0.743 5.073 4.320 0.016 0.000 0.295 839 A C -1.517 175.961 177.584 -0.177 0.000 1.045 839 A CA -0.755 51.301 52.037 0.032 0.000 0.703 839 A CB 0.902 19.916 19.000 0.023 0.000 1.271 839 A HN 1.010 nan 8.150 nan 0.000 0.400 840 H N -0.117 118.993 119.070 0.066 0.000 2.928 840 H HA 0.807 5.372 4.556 0.016 0.000 0.371 840 H C -0.101 175.210 175.328 -0.028 0.000 1.186 840 H CA 0.331 56.321 56.048 -0.097 0.000 1.134 840 H CB 2.174 31.766 29.762 -0.284 0.000 1.824 840 H HN 1.058 nan 8.280 nan 0.000 0.554 841 A N 1.549 124.339 122.820 -0.050 0.000 2.371 841 A HA 0.497 4.826 4.320 0.016 0.000 0.311 841 A C -1.496 176.011 177.584 -0.128 0.000 1.068 841 A CA -0.684 51.389 52.037 0.060 0.000 0.744 841 A CB 1.262 20.298 19.000 0.059 0.000 1.239 841 A HN 0.548 nan 8.150 nan 0.000 0.435 842 W N 1.892 123.300 121.300 0.180 0.000 2.471 842 W HA 0.468 5.138 4.660 0.016 0.000 0.318 842 W C -0.457 176.093 176.519 0.052 0.000 1.034 842 W CA -0.136 57.315 57.345 0.177 0.000 1.224 842 W CB 1.864 31.501 29.460 0.294 0.000 1.335 842 W HN 0.803 nan 8.180 nan 0.000 0.452 843 Q N 1.352 121.283 119.800 0.219 0.000 2.484 843 Q HA 0.443 4.792 4.340 0.016 0.000 0.285 843 Q C -1.002 175.124 176.000 0.211 0.000 1.097 843 Q CA -0.902 54.988 55.803 0.144 0.000 0.802 843 Q CB 3.739 32.526 28.738 0.081 0.000 1.444 843 Q HN 0.391 nan 8.270 nan 0.000 0.429 844 H N 1.488 120.591 119.070 0.056 0.000 2.934 844 H HA 0.063 4.628 4.556 0.016 0.000 0.340 844 H C -0.748 174.612 175.328 0.053 0.000 1.008 844 H CA -0.208 55.883 56.048 0.073 0.000 1.317 844 H CB 1.094 30.907 29.762 0.086 0.000 1.670 844 H HN 0.731 nan 8.280 nan 0.000 0.516 845 Q N 3.210 122.746 119.800 -0.441 0.000 2.434 845 Q HA -0.226 4.124 4.340 0.016 0.000 0.299 845 Q C 0.983 176.929 176.000 -0.090 0.000 1.286 845 Q CA 1.273 56.908 55.803 -0.280 0.000 0.872 845 Q CB -2.052 26.523 28.738 -0.271 0.000 1.193 845 Q HN 1.160 nan 8.270 nan 0.000 0.466 846 G N -0.252 108.520 108.800 -0.047 0.000 2.205 846 G HA2 -0.388 3.582 3.960 0.016 0.000 0.261 846 G HA3 -0.388 3.582 3.960 0.016 0.000 0.261 846 G C 0.091 174.997 174.900 0.010 0.000 0.980 846 G CA 0.794 45.887 45.100 -0.011 0.000 0.632 846 G HN 0.562 nan 8.290 nan 0.000 0.533 847 K N 1.010 121.427 120.400 0.028 0.000 2.156 847 K HA 0.612 4.942 4.320 0.016 0.000 0.271 847 K C -0.199 176.416 176.600 0.026 0.000 0.995 847 K CA -0.195 56.111 56.287 0.032 0.000 0.890 847 K CB 0.919 33.447 32.500 0.046 0.000 1.073 847 K HN -0.028 nan 8.250 nan 0.000 0.454 848 T N 5.698 120.257 114.554 0.007 0.000 2.723 848 T HA 0.189 4.548 4.350 0.016 0.000 0.297 848 T C 1.109 175.750 174.700 -0.098 0.000 0.925 848 T CA -0.408 61.691 62.100 -0.002 0.000 1.030 848 T CB 0.355 69.239 68.868 0.026 0.000 0.905 848 T HN 0.567 nan 8.240 nan 0.000 0.502 849 L N 2.676 123.746 121.223 -0.255 0.000 2.084 849 L HA 0.305 4.655 4.340 0.016 0.000 0.202 849 L C 0.030 176.375 176.870 -0.875 0.000 1.074 849 L CA 1.022 55.419 54.840 -0.738 0.000 0.757 849 L CB 0.013 41.247 42.059 -1.375 0.000 0.918 849 L HN 0.517 nan 8.230 nan 0.000 0.444 850 F N -1.332 118.580 119.950 -0.062 0.000 2.599 850 F HA 0.579 5.115 4.527 0.016 0.000 0.311 850 F C -0.431 175.471 175.800 0.170 0.000 1.076 850 F CA -0.826 57.083 58.000 -0.151 0.000 0.937 850 F CB 2.040 40.562 39.000 -0.796 0.000 1.282 850 F HN -0.327 nan 8.300 nan 0.000 0.460 851 I N 1.318 122.120 120.570 0.386 0.000 2.533 851 I HA 0.367 4.547 4.170 0.016 0.000 0.290 851 I C -0.909 175.493 176.117 0.475 0.000 1.056 851 I CA -0.565 60.991 61.300 0.427 0.000 1.057 851 I CB 2.285 40.440 38.000 0.258 0.000 1.240 851 I HN 0.532 nan 8.210 nan 0.000 0.423 852 S N 6.667 122.754 115.700 0.644 0.000 2.498 852 S HA 0.565 5.044 4.470 0.016 0.000 0.317 852 S C -0.727 174.125 174.600 0.420 0.000 1.090 852 S CA -0.692 57.847 58.200 0.564 0.000 1.089 852 S CB 0.713 64.380 63.200 0.778 0.000 0.997 852 S HN 0.542 nan 8.310 nan 0.000 0.470 853 R N 3.617 124.283 120.500 0.278 0.000 2.387 853 R HA 0.557 4.907 4.340 0.016 0.000 0.314 853 R C -0.704 175.676 176.300 0.133 0.000 0.958 853 R CA -0.746 55.472 56.100 0.197 0.000 0.846 853 R CB 1.770 32.157 30.300 0.146 0.000 1.147 853 R HN 0.568 nan 8.270 nan 0.000 0.447 854 K N 0.855 121.328 120.400 0.122 0.000 2.480 854 K HA 0.474 4.803 4.320 0.016 0.000 0.258 854 K C -0.743 175.850 176.600 -0.012 0.000 0.990 854 K CA -0.913 55.376 56.287 0.003 0.000 0.857 854 K CB 2.561 35.043 32.500 -0.029 0.000 1.384 854 K HN 0.621 nan 8.250 nan 0.000 0.446 855 T N -1.500 112.975 114.554 -0.131 0.000 2.893 855 T HA 0.553 4.913 4.350 0.016 0.000 0.293 855 T C -1.269 173.315 174.700 -0.194 0.000 1.027 855 T CA -0.781 61.283 62.100 -0.059 0.000 0.988 855 T CB 0.564 69.421 68.868 -0.017 0.000 1.043 855 T HN 0.388 nan 8.240 nan 0.000 0.461 856 Y N 0.727 121.002 120.300 -0.041 0.000 2.326 856 Y HA 0.611 5.171 4.550 0.016 0.000 0.331 856 Y C 0.443 176.287 175.900 -0.093 0.000 0.962 856 Y CA -1.144 56.948 58.100 -0.013 0.000 1.167 856 Y CB 1.693 40.176 38.460 0.039 0.000 1.148 856 Y HN 0.648 nan 8.280 nan 0.000 0.463 857 R N 4.206 124.742 120.500 0.059 0.000 2.310 857 R HA 0.649 4.998 4.340 0.016 0.000 0.324 857 R C -1.529 174.733 176.300 -0.064 0.000 0.955 857 R CA -0.567 55.521 56.100 -0.020 0.000 0.830 857 R CB 0.611 30.904 30.300 -0.012 0.000 1.154 857 R HN 0.764 nan 8.270 nan 0.000 0.458 858 I N 5.179 125.649 120.570 -0.167 0.000 2.312 858 I HA 0.181 4.361 4.170 0.016 0.000 0.290 858 I C -0.287 175.723 176.117 -0.178 0.000 1.008 858 I CA -0.528 60.593 61.300 -0.298 0.000 1.226 858 I CB 1.344 38.937 38.000 -0.678 0.000 1.371 858 I HN 0.670 nan 8.210 nan 0.000 0.468 859 D N 3.966 124.312 120.400 -0.091 0.000 2.494 859 D HA 0.317 4.966 4.640 0.016 0.000 0.259 859 D C 1.288 177.608 176.300 0.033 0.000 1.109 859 D CA -0.794 53.198 54.000 -0.013 0.000 1.040 859 D CB 0.721 41.539 40.800 0.029 0.000 1.175 859 D HN 0.419 nan 8.370 nan 0.000 0.584 860 G N -1.325 107.533 108.800 0.096 0.000 2.559 860 G HA2 -0.158 3.811 3.960 0.016 0.000 0.216 860 G HA3 -0.158 3.811 3.960 0.016 0.000 0.216 860 G C 1.099 176.160 174.900 0.268 0.000 1.126 860 G CA 0.918 46.122 45.100 0.173 0.000 0.778 860 G HN 0.527 nan 8.290 nan 0.000 0.543 861 S N -1.082 114.763 115.700 0.241 0.000 2.575 861 S HA 0.381 4.860 4.470 0.016 0.000 0.215 861 S C 1.800 176.505 174.600 0.176 0.000 0.966 861 S CA 0.889 59.241 58.200 0.252 0.000 0.911 861 S CB 0.061 63.377 63.200 0.193 0.000 0.780 861 S HN 1.396 nan 8.310 nan 0.000 0.514 862 G N 0.451 109.349 108.800 0.163 0.000 2.176 862 G HA2 -0.239 3.730 3.960 0.016 0.000 0.253 862 G HA3 -0.239 3.730 3.960 0.016 0.000 0.253 862 G C -0.192 174.861 174.900 0.255 0.000 0.979 862 G CA 0.058 45.309 45.100 0.252 0.000 0.641 862 G HN 0.599 nan 8.290 nan 0.000 0.530 863 Q N -0.296 119.598 119.800 0.157 0.000 2.243 863 Q HA 0.627 4.977 4.340 0.016 0.000 0.252 863 Q C 0.212 176.269 176.000 0.096 0.000 0.909 863 Q CA -0.299 55.599 55.803 0.159 0.000 0.922 863 Q CB 1.382 30.203 28.738 0.138 0.000 1.215 863 Q HN 0.443 nan 8.270 nan 0.000 0.427 864 M N 2.373 122.070 119.600 0.161 0.000 2.066 864 M HA 0.467 4.957 4.480 0.016 0.000 0.340 864 M C -1.228 175.189 176.300 0.194 0.000 1.053 864 M CA -0.473 54.896 55.300 0.114 0.000 0.983 864 M CB 0.814 33.514 32.600 0.166 0.000 1.520 864 M HN 0.664 nan 8.290 nan 0.000 0.428 865 A N 7.287 130.182 122.820 0.125 0.000 2.279 865 A HA 0.577 4.907 4.320 0.016 0.000 0.306 865 A C -0.614 177.008 177.584 0.062 0.000 1.300 865 A CA -0.534 51.569 52.037 0.110 0.000 0.925 865 A CB -0.191 18.855 19.000 0.076 0.000 1.152 865 A HN 0.920 nan 8.150 nan 0.000 0.544 866 I N 2.825 123.418 120.570 0.039 0.000 2.330 866 I HA 0.256 4.436 4.170 0.016 0.000 0.289 866 I C -0.091 175.918 176.117 -0.180 0.000 1.001 866 I CA -0.143 61.068 61.300 -0.147 0.000 1.193 866 I CB 1.788 39.731 38.000 -0.094 0.000 1.345 866 I HN 0.463 nan 8.210 nan 0.000 0.461 867 T N 6.051 120.468 114.554 -0.229 0.000 2.758 867 T HA 0.481 4.841 4.350 0.016 0.000 0.285 867 T C -0.148 174.357 174.700 -0.326 0.000 0.981 867 T CA -0.435 61.534 62.100 -0.218 0.000 0.965 867 T CB 1.591 70.433 68.868 -0.042 0.000 0.927 867 T HN 0.200 nan 8.240 nan 0.000 0.448 868 V N 3.901 123.476 119.914 -0.564 0.000 2.495 868 V HA 0.484 4.613 4.120 0.016 0.000 0.298 868 V C -0.505 175.417 176.094 -0.287 0.000 1.031 868 V CA -0.875 61.120 62.300 -0.507 0.000 0.871 868 V CB 1.953 33.206 31.823 -0.950 0.000 0.988 868 V HN 0.847 nan 8.190 nan 0.000 0.432 869 D N 3.339 123.739 120.400 -0.001 0.000 2.549 869 D HA 0.528 5.178 4.640 0.016 0.000 0.251 869 D C -1.078 175.345 176.300 0.205 0.000 1.153 869 D CA -0.073 54.020 54.000 0.154 0.000 0.861 869 D CB 2.737 43.653 40.800 0.194 0.000 1.207 869 D HN 0.262 nan 8.370 nan 0.000 0.543 870 V N 2.189 122.261 119.914 0.263 0.000 2.715 870 V HA 0.356 4.486 4.120 0.016 0.000 0.310 870 V C -0.053 176.191 176.094 0.250 0.000 1.054 870 V CA -0.751 61.722 62.300 0.289 0.000 0.928 870 V CB 2.550 34.586 31.823 0.355 0.000 1.007 870 V HN 0.370 nan 8.190 nan 0.000 0.437 871 E N 2.017 122.354 120.200 0.228 0.000 2.199 871 E HA 0.662 5.021 4.350 0.016 0.000 0.269 871 E C -1.595 175.128 176.600 0.205 0.000 0.899 871 E CA -0.656 55.855 56.400 0.186 0.000 0.772 871 E CB 2.630 32.417 29.700 0.145 0.000 1.155 871 E HN 0.378 nan 8.360 nan 0.000 0.408 872 V N 2.026 122.063 119.914 0.205 0.000 2.444 872 V HA 0.389 4.519 4.120 0.016 0.000 0.294 872 V C 0.069 176.252 176.094 0.149 0.000 1.022 872 V CA -0.958 61.481 62.300 0.232 0.000 0.850 872 V CB 1.495 33.504 31.823 0.310 0.000 0.992 872 V HN 0.862 nan 8.190 nan 0.000 0.426 873 A N 3.573 126.430 122.820 0.062 0.000 2.567 873 A HA 0.237 4.566 4.320 0.016 0.000 0.240 873 A C 1.629 179.275 177.584 0.104 0.000 1.053 873 A CA 0.646 52.713 52.037 0.051 0.000 0.755 873 A CB 0.189 19.183 19.000 -0.008 0.000 0.978 873 A HN 1.384 nan 8.150 nan 0.000 0.507 874 S N 1.263 117.024 115.700 0.102 0.000 2.442 874 S HA -0.168 4.312 4.470 0.016 0.000 0.236 874 S C 0.851 175.525 174.600 0.123 0.000 1.007 874 S CA 1.332 59.611 58.200 0.133 0.000 0.965 874 S CB -0.300 62.959 63.200 0.099 0.000 0.773 874 S HN 0.842 nan 8.310 nan 0.000 0.504 875 D N 0.168 120.614 120.400 0.077 0.000 2.340 875 D HA 0.154 4.803 4.640 0.016 0.000 0.217 875 D C 0.490 176.813 176.300 0.039 0.000 1.081 875 D CA -0.004 54.023 54.000 0.045 0.000 0.842 875 D CB -0.340 40.477 40.800 0.028 0.000 0.934 875 D HN 0.303 nan 8.370 nan 0.000 0.511 876 T N 1.195 115.796 114.554 0.078 0.000 2.928 876 T HA 0.412 4.772 4.350 0.016 0.000 0.284 876 T C -2.618 172.162 174.700 0.133 0.000 1.008 876 T CA -2.046 60.121 62.100 0.112 0.000 1.057 876 T CB 1.126 70.090 68.868 0.160 0.000 1.018 876 T HN -0.173 nan 8.240 nan 0.000 0.493 877 P HA 0.077 nan 4.420 nan 0.000 0.265 877 P C -0.598 176.969 177.300 0.446 0.000 1.193 877 P CA 0.145 63.312 63.100 0.111 0.000 0.765 877 P CB -0.117 31.629 31.700 0.078 0.000 0.823 878 H N 3.879 123.301 119.070 0.588 0.000 3.125 878 H HA 0.048 4.613 4.556 0.016 0.000 0.310 878 H C -1.553 174.111 175.328 0.560 0.000 0.980 878 H CA -1.216 55.125 56.048 0.488 0.000 1.422 878 H CB -0.458 29.543 29.762 0.399 0.000 1.432 878 H HN 0.380 nan 8.280 nan 0.000 0.577 879 P HA 0.007 nan 4.420 nan 0.000 0.274 879 P C 0.190 177.392 177.300 -0.164 0.000 1.237 879 P CA -0.294 62.907 63.100 0.168 0.000 0.793 879 P CB 1.055 32.710 31.700 -0.075 0.000 0.977 880 A N 3.085 125.520 122.820 -0.641 0.000 2.019 880 A HA -0.120 4.210 4.320 0.016 0.000 0.219 880 A C 1.031 178.201 177.584 -0.689 0.000 1.164 880 A CA 1.408 53.012 52.037 -0.722 0.000 0.644 880 A CB -0.592 17.729 19.000 -1.133 0.000 0.805 880 A HN 0.762 nan 8.150 nan 0.000 0.449 881 R N -3.152 117.000 120.500 -0.580 0.000 2.741 881 R HA 0.718 5.067 4.340 0.016 0.000 0.276 881 R C -1.659 174.404 176.300 -0.396 0.000 1.028 881 R CA -0.829 54.959 56.100 -0.520 0.000 0.865 881 R CB 0.724 30.682 30.300 -0.570 0.000 1.268 881 R HN -0.006 nan 8.270 nan 0.000 0.475 882 I N 1.020 121.389 120.570 -0.336 0.000 2.542 882 I HA 0.624 4.803 4.170 0.016 0.000 0.278 882 I C -0.475 175.401 176.117 -0.402 0.000 1.069 882 I CA -0.342 60.780 61.300 -0.297 0.000 1.100 882 I CB 1.780 39.687 38.000 -0.154 0.000 1.204 882 I HN 0.957 nan 8.210 nan 0.000 0.470 883 G N 5.652 114.139 108.800 -0.521 0.000 2.731 883 G HA2 0.775 4.745 3.960 0.016 0.000 0.309 883 G HA3 0.775 4.745 3.960 0.016 0.000 0.309 883 G C -1.684 173.002 174.900 -0.357 0.000 1.273 883 G CA -0.563 44.270 45.100 -0.444 0.000 0.798 883 G HN 0.232 nan 8.290 nan 0.000 0.509 884 L N 0.775 121.854 121.223 -0.241 0.000 2.350 884 L HA 0.629 4.979 4.340 0.016 0.000 0.260 884 L C -0.883 175.876 176.870 -0.186 0.000 1.015 884 L CA -1.171 53.564 54.840 -0.174 0.000 0.821 884 L CB 2.546 44.586 42.059 -0.032 0.000 1.370 884 L HN 0.821 nan 8.230 nan 0.000 0.416 885 N N 0.567 119.186 118.700 -0.135 0.000 2.525 885 N HA 0.736 5.486 4.740 0.016 0.000 0.270 885 N C -1.155 174.362 175.510 0.011 0.000 1.321 885 N CA -0.618 52.392 53.050 -0.066 0.000 0.797 885 N CB 2.228 40.706 38.487 -0.016 0.000 1.529 885 N HN 0.845 nan 8.380 nan 0.000 0.491 886 C N -1.880 117.450 119.300 0.049 0.000 3.303 886 C HA 0.587 5.057 4.460 0.016 0.000 0.340 886 C C -1.281 173.541 174.990 -0.280 0.000 1.274 886 C CA -0.877 58.123 59.018 -0.031 0.000 1.234 886 C CB 0.912 28.659 27.740 0.011 0.000 1.532 886 C HN 0.887 nan 8.230 nan 0.000 0.483 887 Q N 1.499 120.914 119.800 -0.643 0.000 2.347 887 Q HA 0.677 5.026 4.340 0.016 0.000 0.262 887 Q C -1.025 174.683 176.000 -0.485 0.000 0.980 887 Q CA -0.458 54.709 55.803 -1.060 0.000 0.867 887 Q CB 0.908 28.638 28.738 -1.679 0.000 1.242 887 Q HN 0.773 nan 8.270 nan 0.000 0.453 888 L N 2.612 123.652 121.223 -0.305 0.000 2.395 888 L HA 0.312 4.662 4.340 0.016 0.000 0.269 888 L C 1.126 177.936 176.870 -0.099 0.000 1.133 888 L CA -0.216 54.574 54.840 -0.084 0.000 0.812 888 L CB 0.889 43.012 42.059 0.106 0.000 1.125 888 L HN 0.832 nan 8.230 nan 0.000 0.452 889 A N 1.684 124.477 122.820 -0.046 0.000 1.929 889 A HA -0.095 4.234 4.320 0.016 0.000 0.216 889 A C 1.139 178.713 177.584 -0.016 0.000 1.176 889 A CA 0.496 52.495 52.037 -0.062 0.000 0.628 889 A CB -0.276 18.681 19.000 -0.071 0.000 0.816 889 A HN 0.774 nan 8.150 nan 0.000 0.444 890 Q N 0.175 120.003 119.800 0.047 0.000 2.330 890 Q HA 0.336 4.686 4.340 0.016 0.000 0.279 890 Q C -1.092 174.955 176.000 0.079 0.000 1.024 890 Q CA 0.559 56.385 55.803 0.040 0.000 0.900 890 Q CB 0.617 29.412 28.738 0.094 0.000 1.221 890 Q HN 0.151 nan 8.270 nan 0.000 0.396 891 V N 4.200 124.120 119.914 0.009 0.000 2.357 891 V HA 0.726 4.856 4.120 0.016 0.000 0.281 891 V C -0.383 175.678 176.094 -0.055 0.000 1.015 891 V CA -0.254 62.079 62.300 0.055 0.000 0.827 891 V CB 0.764 32.604 31.823 0.028 0.000 1.018 891 V HN 0.918 nan 8.190 nan 0.000 0.432 892 A N 3.154 125.867 122.820 -0.178 0.000 2.288 892 A HA 0.719 5.049 4.320 0.016 0.000 0.328 892 A C 0.768 178.333 177.584 -0.032 0.000 1.123 892 A CA -0.410 51.448 52.037 -0.298 0.000 0.861 892 A CB 1.157 19.670 19.000 -0.811 0.000 1.272 892 A HN 0.772 nan 8.150 nan 0.000 0.490 893 E N -0.430 119.754 120.200 -0.026 0.000 2.170 893 E HA -0.002 4.358 4.350 0.016 0.000 0.191 893 E C 0.151 176.819 176.600 0.113 0.000 0.981 893 E CA 0.611 57.039 56.400 0.047 0.000 0.830 893 E CB 0.214 29.926 29.700 0.021 0.000 0.775 893 E HN 0.445 nan 8.360 nan 0.000 0.470 894 R N -0.022 120.555 120.500 0.128 0.000 2.888 894 R HA 0.512 4.862 4.340 0.016 0.000 0.266 894 R C -0.885 175.607 176.300 0.319 0.000 1.020 894 R CA -0.872 55.343 56.100 0.191 0.000 0.963 894 R CB 1.791 32.172 30.300 0.135 0.000 1.197 894 R HN -0.184 nan 8.270 nan 0.000 0.481 895 V N 1.725 121.840 119.914 0.334 0.000 2.483 895 V HA 0.362 4.492 4.120 0.016 0.000 0.297 895 V C -0.266 176.104 176.094 0.460 0.000 1.027 895 V CA -0.938 61.607 62.300 0.409 0.000 0.855 895 V CB 1.830 33.847 31.823 0.324 0.000 0.995 895 V HN 0.632 nan 8.190 nan 0.000 0.424 896 N N 4.487 123.428 118.700 0.402 0.000 2.372 896 N HA 0.551 5.300 4.740 0.016 0.000 0.285 896 N C -1.431 174.323 175.510 0.406 0.000 1.008 896 N CA -0.397 52.848 53.050 0.324 0.000 0.880 896 N CB 2.591 41.173 38.487 0.159 0.000 1.239 896 N HN 0.824 nan 8.380 nan 0.000 0.484 897 W N 3.339 124.674 121.300 0.059 0.000 3.167 897 W HA 0.527 5.196 4.660 0.016 0.000 0.324 897 W C -2.067 174.416 176.519 -0.060 0.000 1.230 897 W CA -1.114 56.236 57.345 0.010 0.000 1.184 897 W CB 0.582 30.061 29.460 0.032 0.000 1.414 897 W HN 0.219 nan 8.180 nan 0.000 0.551 898 L N 4.601 125.799 121.223 -0.042 0.000 2.272 898 L HA 0.902 5.251 4.340 0.016 0.000 0.284 898 L C 0.051 176.753 176.870 -0.280 0.000 1.045 898 L CA 0.489 55.132 54.840 -0.328 0.000 0.842 898 L CB 0.385 42.334 42.059 -0.184 0.000 1.224 898 L HN 0.982 nan 8.230 nan 0.000 0.430 899 G N 3.731 112.244 108.800 -0.478 0.000 2.348 899 G HA2 0.213 4.183 3.960 0.016 0.000 0.296 899 G HA3 0.213 4.183 3.960 0.016 0.000 0.296 899 G C -1.592 173.333 174.900 0.040 0.000 1.258 899 G CA -1.061 43.968 45.100 -0.118 0.000 0.868 899 G HN 0.416 nan 8.290 nan 0.000 0.488 900 L N 1.147 122.514 121.223 0.239 0.000 2.367 900 L HA 0.597 4.947 4.340 0.016 0.000 0.275 900 L C 1.068 178.007 176.870 0.115 0.000 1.129 900 L CA 0.718 55.656 54.840 0.164 0.000 0.839 900 L CB 0.515 42.622 42.059 0.079 0.000 1.133 900 L HN 1.104 nan 8.230 nan 0.000 0.453 901 G N 2.973 111.583 108.800 -0.316 0.000 2.494 901 G HA2 0.306 4.276 3.960 0.016 0.000 0.308 901 G HA3 0.306 4.276 3.960 0.016 0.000 0.308 901 G C -2.721 171.297 174.900 -1.469 0.000 1.263 901 G CA -0.258 44.296 45.100 -0.910 0.000 0.840 901 G HN 0.312 nan 8.290 nan 0.000 0.479 902 P HA 0.093 nan 4.420 nan 0.000 0.235 902 P C 0.411 177.516 177.300 -0.325 0.000 1.177 902 P CA 0.567 63.008 63.100 -1.097 0.000 0.785 902 P CB 0.503 31.761 31.700 -0.737 0.000 0.885 903 Q N 0.472 120.066 119.800 -0.344 0.000 2.318 903 Q HA 0.162 4.511 4.340 0.016 0.000 0.222 903 Q C 0.383 176.268 176.000 -0.193 0.000 1.003 903 Q CA -0.651 55.034 55.803 -0.197 0.000 0.936 903 Q CB 0.695 29.337 28.738 -0.160 0.000 1.204 903 Q HN 0.127 nan 8.270 nan 0.000 0.524 904 E N 1.242 121.338 120.200 -0.173 0.000 2.502 904 E HA -0.109 4.251 4.350 0.016 0.000 0.261 904 E C -1.125 175.386 176.600 -0.148 0.000 0.974 904 E CA 0.308 56.590 56.400 -0.196 0.000 0.936 904 E CB 0.267 29.925 29.700 -0.070 0.000 0.926 904 E HN 0.610 nan 8.360 nan 0.000 0.459 905 N N 2.508 121.045 118.700 -0.272 0.000 2.367 905 N HA 0.303 5.053 4.740 0.016 0.000 0.278 905 N C -1.902 173.360 175.510 -0.414 0.000 1.117 905 N CA -0.687 52.255 53.050 -0.180 0.000 0.867 905 N CB 0.699 39.096 38.487 -0.151 0.000 1.649 905 N HN 0.233 nan 8.380 nan 0.000 0.479 906 Y N 0.107 120.302 120.300 -0.176 0.000 2.562 906 Y HA 0.495 5.055 4.550 0.016 0.000 0.343 906 Y C -1.627 174.185 175.900 -0.147 0.000 1.025 906 Y CA -2.037 55.947 58.100 -0.194 0.000 1.082 906 Y CB 2.023 40.366 38.460 -0.196 0.000 1.264 906 Y HN 0.462 nan 8.280 nan 0.000 0.478 907 P HA -0.190 nan 4.420 nan 0.000 0.216 907 P C 0.348 177.527 177.300 -0.201 0.000 1.154 907 P CA 2.095 65.220 63.100 0.043 0.000 0.865 907 P CB 0.201 32.035 31.700 0.224 0.000 0.789 908 D N -2.343 117.694 120.400 -0.604 0.000 2.342 908 D HA 0.007 4.657 4.640 0.016 0.000 0.221 908 D C 0.755 176.887 176.300 -0.280 0.000 1.101 908 D CA 0.069 53.500 54.000 -0.949 0.000 0.837 908 D CB -0.334 39.676 40.800 -1.315 0.000 0.938 908 D HN 0.131 nan 8.370 nan 0.000 0.508 909 R N 1.097 121.533 120.500 -0.105 0.000 2.638 909 R HA 0.197 4.546 4.340 0.016 0.000 0.261 909 R C -0.599 175.718 176.300 0.029 0.000 1.515 909 R CA -0.158 55.945 56.100 0.004 0.000 1.623 909 R CB 0.044 30.354 30.300 0.016 0.000 1.347 909 R HN 0.103 nan 8.270 nan 0.000 0.705 910 L N -2.090 119.156 121.223 0.039 0.000 3.410 910 L HA 0.345 4.695 4.340 0.016 0.000 0.309 910 L C 1.259 178.167 176.870 0.063 0.000 1.254 910 L CA 0.000 54.860 54.840 0.033 0.000 1.048 910 L CB 0.177 42.245 42.059 0.015 0.000 1.442 910 L HN 0.042 nan 8.230 nan 0.000 0.615 911 T N -2.854 111.763 114.554 0.105 0.000 2.867 911 T HA 0.046 4.405 4.350 0.016 0.000 0.268 911 T C 1.806 176.503 174.700 -0.006 0.000 1.057 911 T CA 1.218 63.395 62.100 0.128 0.000 1.136 911 T CB -0.262 68.743 68.868 0.228 0.000 0.874 911 T HN 0.371 nan 8.240 nan 0.000 0.466 912 A N 1.809 124.639 122.820 0.017 0.000 2.014 912 A HA 0.609 4.939 4.320 0.016 0.000 0.218 912 A C 1.684 179.332 177.584 0.106 0.000 1.163 912 A CA 0.622 52.638 52.037 -0.035 0.000 0.652 912 A CB -1.050 18.072 19.000 0.203 0.000 0.808 912 A HN 0.845 nan 8.150 nan 0.000 0.449 913 A N -1.034 121.794 122.820 0.013 0.000 2.445 913 A HA 0.421 4.751 4.320 0.016 0.000 0.242 913 A C 0.085 177.669 177.584 0.000 0.000 1.075 913 A CA -0.032 51.969 52.037 -0.060 0.000 0.777 913 A CB -0.201 18.747 19.000 -0.085 0.000 1.013 913 A HN 0.488 nan 8.150 nan 0.000 0.493 914 C N 0.978 120.269 119.300 -0.014 0.000 2.435 914 C HA 0.537 5.006 4.460 0.016 0.000 0.333 914 C C 0.009 175.087 174.990 0.146 0.000 1.202 914 C CA -0.452 58.628 59.018 0.103 0.000 1.830 914 C CB 0.610 28.454 27.740 0.173 0.000 2.326 914 C HN 0.782 nan 8.230 nan 0.000 0.507 915 F N 3.789 123.587 119.950 -0.253 0.000 2.445 915 F HA 0.469 5.006 4.527 0.016 0.000 0.359 915 F C 0.344 175.863 175.800 -0.469 0.000 1.101 915 F CA 1.132 58.854 58.000 -0.464 0.000 1.177 915 F CB -0.025 38.134 39.000 -1.401 0.000 1.110 915 F HN 0.625 nan 8.300 nan 0.000 0.522 916 D N 3.258 123.101 120.400 -0.929 0.000 2.865 916 D HA 0.177 4.827 4.640 0.016 0.000 0.343 916 D C -1.624 173.816 176.300 -1.433 0.000 1.372 916 D CA -0.728 52.607 54.000 -1.109 0.000 0.862 916 D CB 1.396 41.492 40.800 -1.173 0.000 1.425 916 D HN 0.483 nan 8.370 nan 0.000 0.501 917 R N 0.650 120.385 120.500 -1.274 0.000 2.202 917 R HA 0.507 4.856 4.340 0.016 0.000 0.334 917 R C -1.348 174.176 176.300 -1.293 0.000 1.036 917 R CA -0.165 55.321 56.100 -1.024 0.000 0.878 917 R CB 0.198 30.149 30.300 -0.582 0.000 1.067 917 R HN 0.271 nan 8.270 nan 0.000 0.457 918 W N 2.683 123.453 121.300 -0.883 0.000 2.706 918 W HA 0.423 5.093 4.660 0.016 0.000 0.346 918 W C -0.512 175.603 176.519 -0.673 0.000 1.071 918 W CA -0.629 56.129 57.345 -0.978 0.000 1.206 918 W CB 1.772 30.122 29.460 -1.850 0.000 1.413 918 W HN 0.392 nan 8.180 nan 0.000 0.542 919 D N 2.743 123.082 120.400 -0.101 0.000 2.613 919 D HA 0.400 5.050 4.640 0.016 0.000 0.230 919 D C -1.492 174.894 176.300 0.144 0.000 1.365 919 D CA -0.124 53.913 54.000 0.062 0.000 0.976 919 D CB 0.930 41.733 40.800 0.006 0.000 1.415 919 D HN 0.368 nan 8.370 nan 0.000 0.589 920 L N 2.950 124.334 121.223 0.269 0.000 2.309 920 L HA 0.612 4.962 4.340 0.016 0.000 0.261 920 L C -2.238 174.751 176.870 0.197 0.000 1.021 920 L CA -2.144 52.829 54.840 0.221 0.000 0.823 920 L CB 2.532 44.755 42.059 0.274 0.000 1.366 920 L HN 0.172 nan 8.230 nan 0.000 0.423 921 P HA 0.044 nan 4.420 nan 0.000 0.272 921 P C 0.510 177.894 177.300 0.140 0.000 1.230 921 P CA -0.385 62.790 63.100 0.125 0.000 0.788 921 P CB 0.971 32.723 31.700 0.087 0.000 0.949 922 L N 2.754 124.063 121.223 0.142 0.000 2.042 922 L HA -0.237 4.113 4.340 0.016 0.000 0.210 922 L C 2.348 179.271 176.870 0.088 0.000 1.076 922 L CA 2.744 57.661 54.840 0.128 0.000 0.749 922 L CB -1.468 40.682 42.059 0.151 0.000 0.893 922 L HN 0.453 nan 8.230 nan 0.000 0.432 923 S N -1.577 114.175 115.700 0.086 0.000 2.400 923 S HA -0.205 4.274 4.470 0.016 0.000 0.232 923 S C 1.608 176.283 174.600 0.124 0.000 1.025 923 S CA 1.272 59.536 58.200 0.106 0.000 0.993 923 S CB -0.867 62.390 63.200 0.094 0.000 0.808 923 S HN 0.536 nan 8.310 nan 0.000 0.478 924 D N 1.025 121.478 120.400 0.089 0.000 2.371 924 D HA 0.091 4.740 4.640 0.016 0.000 0.221 924 D C 1.182 177.499 176.300 0.030 0.000 0.986 924 D CA 0.571 54.605 54.000 0.057 0.000 0.899 924 D CB -0.134 40.704 40.800 0.063 0.000 0.902 924 D HN 0.393 nan 8.370 nan 0.000 0.530 925 M N -0.489 119.135 119.600 0.041 0.000 2.495 925 M HA 0.052 4.542 4.480 0.016 0.000 0.237 925 M C -0.044 176.265 176.300 0.014 0.000 1.131 925 M CA -0.044 55.233 55.300 -0.039 0.000 1.032 925 M CB -0.649 31.918 32.600 -0.055 0.000 1.513 925 M HN -0.048 nan 8.290 nan 0.000 0.488 926 Y N 0.127 120.394 120.300 -0.055 0.000 2.376 926 Y HA 0.496 5.056 4.550 0.016 0.000 0.340 926 Y C -0.768 175.111 175.900 -0.035 0.000 0.965 926 Y CA -0.931 57.161 58.100 -0.013 0.000 1.078 926 Y CB 1.248 39.753 38.460 0.075 0.000 1.193 926 Y HN -0.145 nan 8.280 nan 0.000 0.452 927 T N 9.172 123.310 114.554 -0.694 0.000 2.758 927 T HA 0.298 4.658 4.350 0.016 0.000 0.285 927 T C -2.701 171.314 174.700 -1.142 0.000 0.981 927 T CA -1.504 60.132 62.100 -0.772 0.000 0.965 927 T CB 1.153 69.644 68.868 -0.628 0.000 0.927 927 T HN 0.466 nan 8.240 nan 0.000 0.448 928 P HA 0.155 nan 4.420 nan 0.000 0.220 928 P C -0.708 176.558 177.300 -0.057 0.000 1.806 928 P CA -0.465 62.293 63.100 -0.571 0.000 0.976 928 P CB -0.645 30.850 31.700 -0.343 0.000 1.952 929 Y N -0.081 120.269 120.300 0.084 0.000 2.610 929 Y HA -0.101 4.459 4.550 0.016 0.000 0.332 929 Y C 2.290 178.315 175.900 0.209 0.000 1.201 929 Y CA -0.397 57.823 58.100 0.200 0.000 1.465 929 Y CB 0.522 38.979 38.460 -0.004 0.000 1.283 929 Y HN -0.050 nan 8.280 nan 0.000 0.563 930 V N 3.416 123.625 119.914 0.492 0.000 2.287 930 V HA -0.307 3.822 4.120 0.016 0.000 0.248 930 V C 0.549 176.845 176.094 0.337 0.000 1.053 930 V CA 1.436 63.978 62.300 0.404 0.000 1.027 930 V CB -0.563 31.528 31.823 0.447 0.000 0.646 930 V HN 0.599 nan 8.190 nan 0.000 0.447 931 F N 3.332 123.339 119.950 0.095 0.000 2.371 931 F HA 0.528 5.065 4.527 0.016 0.000 0.363 931 F C -2.496 173.309 175.800 0.009 0.000 1.122 931 F CA -3.552 54.436 58.000 -0.021 0.000 1.129 931 F CB 0.692 39.546 39.000 -0.242 0.000 1.173 931 F HN -0.013 nan 8.300 nan 0.000 0.489 932 P HA 0.263 nan 4.420 nan 0.000 0.269 932 P C -1.060 175.903 177.300 -0.561 0.000 1.209 932 P CA 0.067 62.906 63.100 -0.435 0.000 0.776 932 P CB 1.202 32.700 31.700 -0.337 0.000 0.876 933 S N -0.307 115.275 115.700 -0.196 0.000 2.703 933 S HA 0.427 4.906 4.470 0.016 0.000 0.273 933 S C -0.838 173.748 174.600 -0.023 0.000 1.178 933 S CA -0.973 57.152 58.200 -0.125 0.000 0.838 933 S CB 0.319 63.467 63.200 -0.087 0.000 1.178 933 S HN 0.342 nan 8.310 nan 0.000 0.494 934 E N 1.254 121.447 120.200 -0.011 0.000 2.568 934 E HA 0.346 4.705 4.350 0.016 0.000 0.262 934 E C -0.208 176.435 176.600 0.071 0.000 0.961 934 E CA 0.881 57.303 56.400 0.036 0.000 0.945 934 E CB -0.264 29.478 29.700 0.070 0.000 0.924 934 E HN 0.807 nan 8.360 nan 0.000 0.467 935 N N 1.562 120.348 118.700 0.142 0.000 3.127 935 N HA 0.460 5.209 4.740 0.016 0.000 0.239 935 N C 0.152 175.731 175.510 0.116 0.000 1.407 935 N CA -0.483 52.696 53.050 0.215 0.000 0.891 935 N CB 0.871 39.507 38.487 0.247 0.000 1.447 935 N HN 0.751 nan 8.380 nan 0.000 0.507 936 G N -1.216 107.621 108.800 0.062 0.000 2.162 936 G HA2 -0.266 3.704 3.960 0.016 0.000 0.260 936 G HA3 -0.266 3.704 3.960 0.016 0.000 0.260 936 G C -0.158 174.485 174.900 -0.428 0.000 0.976 936 G CA 0.439 45.445 45.100 -0.157 0.000 0.655 936 G HN 0.761 nan 8.290 nan 0.000 0.533 937 L N -0.089 120.810 121.223 -0.540 0.000 2.499 937 L HA 0.667 5.017 4.340 0.016 0.000 0.281 937 L C 0.651 176.926 176.870 -0.992 0.000 1.234 937 L CA 0.387 54.653 54.840 -0.956 0.000 0.839 937 L CB 0.522 41.663 42.059 -1.531 0.000 1.104 937 L HN 0.248 nan 8.230 nan 0.000 0.500 938 R N 2.242 122.062 120.500 -1.133 0.000 2.532 938 R HA 0.489 4.839 4.340 0.016 0.000 0.297 938 R C -0.985 174.961 176.300 -0.591 0.000 0.984 938 R CA -0.274 55.300 56.100 -0.878 0.000 0.884 938 R CB 1.404 31.057 30.300 -1.078 0.000 1.182 938 R HN 0.708 nan 8.270 nan 0.000 0.442 939 C N 0.280 119.374 119.300 -0.343 0.000 2.380 939 C HA 0.709 5.179 4.460 0.016 0.000 0.393 939 C C 1.295 176.248 174.990 -0.063 0.000 1.284 939 C CA 0.050 58.945 59.018 -0.205 0.000 2.033 939 C CB 1.313 28.956 27.740 -0.162 0.000 2.165 939 C HN 1.025 nan 8.230 nan 0.000 0.540 940 G N 1.805 110.586 108.800 -0.032 0.000 2.341 940 G HA2 -0.187 3.782 3.960 0.016 0.000 0.292 940 G HA3 -0.187 3.782 3.960 0.016 0.000 0.292 940 G C -0.039 174.904 174.900 0.071 0.000 1.021 940 G CA 0.653 45.787 45.100 0.056 0.000 0.905 940 G HN 0.795 nan 8.290 nan 0.000 0.508 941 T N -0.147 114.310 114.554 -0.161 0.000 2.845 941 T HA 0.535 4.894 4.350 0.016 0.000 0.288 941 T C 1.350 175.744 174.700 -0.509 0.000 0.980 941 T CA -0.609 61.332 62.100 -0.265 0.000 1.071 941 T CB 1.439 70.122 68.868 -0.308 0.000 0.941 941 T HN 0.242 nan 8.240 nan 0.000 0.487 942 R N 1.329 121.743 120.500 -0.143 0.000 2.279 942 R HA 0.291 4.641 4.340 0.016 0.000 0.195 942 R C 0.510 176.858 176.300 0.080 0.000 0.905 942 R CA 0.176 56.272 56.100 -0.006 0.000 1.044 942 R CB 0.441 30.861 30.300 0.200 0.000 1.056 942 R HN 0.734 nan 8.270 nan 0.000 0.535 943 E N 0.554 120.798 120.200 0.073 0.000 2.335 943 E HA 0.355 4.714 4.350 0.016 0.000 0.280 943 E C -1.893 174.844 176.600 0.229 0.000 0.918 943 E CA -0.675 55.851 56.400 0.210 0.000 0.765 943 E CB 1.594 31.385 29.700 0.152 0.000 1.218 943 E HN -0.067 nan 8.360 nan 0.000 0.425 944 L N 3.700 125.119 121.223 0.326 0.000 2.408 944 L HA 0.631 4.980 4.340 0.016 0.000 0.268 944 L C -1.887 175.174 176.870 0.318 0.000 0.986 944 L CA -0.361 54.621 54.840 0.237 0.000 0.820 944 L CB 1.962 44.038 42.059 0.029 0.000 1.303 944 L HN 0.528 nan 8.230 nan 0.000 0.411 945 N N 4.021 122.886 118.700 0.276 0.000 2.258 945 N HA 0.443 5.192 4.740 0.016 0.000 0.299 945 N C -2.064 173.671 175.510 0.376 0.000 1.047 945 N CA -0.297 52.902 53.050 0.248 0.000 0.814 945 N CB 2.435 41.009 38.487 0.145 0.000 1.413 945 N HN 0.633 nan 8.380 nan 0.000 0.478 946 Y N 0.898 121.314 120.300 0.195 0.000 2.323 946 Y HA 0.386 4.946 4.550 0.016 0.000 0.322 946 Y C 0.545 176.537 175.900 0.153 0.000 1.133 946 Y CA 0.275 58.507 58.100 0.219 0.000 1.093 946 Y CB 0.575 39.240 38.460 0.342 0.000 1.203 946 Y HN 0.874 nan 8.280 nan 0.000 0.427 947 G N 6.404 115.038 108.800 -0.276 0.000 2.583 947 G HA2 -0.306 3.663 3.960 0.016 0.000 0.292 947 G HA3 -0.306 3.663 3.960 0.016 0.000 0.292 947 G C -1.691 173.095 174.900 -0.190 0.000 1.203 947 G CA 0.123 45.049 45.100 -0.289 0.000 0.987 947 G HN 0.601 nan 8.290 nan 0.000 0.554 948 P HA 0.122 nan 4.420 nan 0.000 0.236 948 P C 0.384 177.489 177.300 -0.325 0.000 1.177 948 P CA 0.910 63.827 63.100 -0.305 0.000 0.773 948 P CB -0.020 31.427 31.700 -0.421 0.000 0.878 949 H N 0.258 119.236 119.070 -0.153 0.000 2.482 949 H HA 0.456 5.021 4.556 0.016 0.000 0.344 949 H C -0.021 174.961 175.328 -0.577 0.000 1.151 949 H CA 0.039 55.854 56.048 -0.388 0.000 1.300 949 H CB 1.437 30.773 29.762 -0.709 0.000 1.494 949 H HN 0.080 nan 8.280 nan 0.000 0.542 950 Q N 2.170 121.631 119.800 -0.565 0.000 2.289 950 Q HA 0.230 4.579 4.340 0.016 0.000 0.270 950 Q C -1.636 174.030 176.000 -0.557 0.000 1.038 950 Q CA -0.701 54.858 55.803 -0.406 0.000 0.812 950 Q CB 1.988 30.671 28.738 -0.091 0.000 1.300 950 Q HN 0.575 nan 8.270 nan 0.000 0.427 951 W N 4.014 125.259 121.300 -0.092 0.000 2.587 951 W HA 0.581 5.251 4.660 0.016 0.000 0.324 951 W C -0.175 176.406 176.519 0.104 0.000 1.040 951 W CA -0.767 56.492 57.345 -0.144 0.000 1.222 951 W CB 1.832 30.996 29.460 -0.493 0.000 1.381 951 W HN 0.501 nan 8.180 nan 0.000 0.483 952 R N 0.675 121.391 120.500 0.359 0.000 2.803 952 R HA 0.800 5.150 4.340 0.016 0.000 0.276 952 R C 0.247 176.815 176.300 0.447 0.000 0.978 952 R CA -0.436 55.900 56.100 0.394 0.000 0.939 952 R CB 2.352 32.802 30.300 0.251 0.000 1.179 952 R HN 0.761 nan 8.270 nan 0.000 0.472 953 G N 0.713 109.782 108.800 0.448 0.000 2.480 953 G HA2 -0.033 3.936 3.960 0.016 0.000 0.109 953 G HA3 -0.033 3.936 3.960 0.016 0.000 0.109 953 G C -1.760 173.317 174.900 0.295 0.000 1.172 953 G CA -0.344 44.995 45.100 0.398 0.000 1.091 953 G HN 0.510 nan 8.290 nan 0.000 0.464 954 D N 0.091 120.675 120.400 0.306 0.000 2.411 954 D HA 0.580 5.230 4.640 0.016 0.000 0.239 954 D C -0.675 175.660 176.300 0.060 0.000 1.307 954 D CA -0.426 53.617 54.000 0.072 0.000 0.930 954 D CB 0.168 41.028 40.800 0.099 0.000 1.395 954 D HN 0.613 nan 8.370 nan 0.000 0.536 955 F N -0.174 119.768 119.950 -0.012 0.000 2.726 955 F HA 0.747 5.284 4.527 0.016 0.000 0.324 955 F C -1.078 174.676 175.800 -0.077 0.000 1.140 955 F CA -1.008 56.921 58.000 -0.120 0.000 0.964 955 F CB 0.804 39.727 39.000 -0.128 0.000 1.399 955 F HN -0.168 nan 8.300 nan 0.000 0.491 956 Q N 1.541 121.423 119.800 0.136 0.000 2.345 956 Q HA 0.643 4.993 4.340 0.016 0.000 0.268 956 Q C -1.267 174.819 176.000 0.144 0.000 1.054 956 Q CA -0.537 55.257 55.803 -0.016 0.000 0.835 956 Q CB 2.699 31.316 28.738 -0.202 0.000 1.339 956 Q HN 0.860 nan 8.270 nan 0.000 0.447 957 F N -1.109 118.719 119.950 -0.202 0.000 2.686 957 F HA 0.746 5.282 4.527 0.016 0.000 0.311 957 F C -1.440 174.139 175.800 -0.369 0.000 1.128 957 F CA -1.140 56.708 58.000 -0.255 0.000 0.946 957 F CB 1.565 40.450 39.000 -0.192 0.000 1.336 957 F HN 0.539 nan 8.300 nan 0.000 0.457 958 N N 1.528 120.011 118.700 -0.363 0.000 2.262 958 N HA 0.739 5.488 4.740 0.016 0.000 0.295 958 N C -2.088 173.340 175.510 -0.136 0.000 1.161 958 N CA -0.729 52.094 53.050 -0.378 0.000 0.767 958 N CB 2.654 40.940 38.487 -0.335 0.000 1.499 958 N HN 1.115 nan 8.380 nan 0.000 0.476 959 I N 0.505 120.990 120.570 -0.141 0.000 2.644 959 I HA 0.682 4.862 4.170 0.016 0.000 0.291 959 I C -1.389 174.642 176.117 -0.143 0.000 1.180 959 I CA 0.055 61.256 61.300 -0.165 0.000 1.040 959 I CB 1.400 39.246 38.000 -0.257 0.000 1.255 959 I HN 1.078 nan 8.210 nan 0.000 0.422 960 S N 6.159 121.780 115.700 -0.132 0.000 2.663 960 S HA 0.469 4.949 4.470 0.016 0.000 0.264 960 S C -0.397 174.083 174.600 -0.200 0.000 1.112 960 S CA -0.981 57.125 58.200 -0.156 0.000 0.823 960 S CB 1.457 64.607 63.200 -0.082 0.000 1.111 960 S HN 0.631 nan 8.310 nan 0.000 0.476 961 R N -0.095 120.111 120.500 -0.489 0.000 2.356 961 R HA 0.259 4.609 4.340 0.016 0.000 0.234 961 R C -0.840 175.125 176.300 -0.558 0.000 0.929 961 R CA 0.269 56.069 56.100 -0.500 0.000 1.084 961 R CB -0.833 29.104 30.300 -0.605 0.000 1.105 961 R HN 0.663 nan 8.270 nan 0.000 0.515 962 Y N 0.406 120.667 120.300 -0.065 0.000 2.364 962 Y HA 0.224 4.784 4.550 0.016 0.000 0.340 962 Y C 0.752 176.445 175.900 -0.345 0.000 0.975 962 Y CA -1.137 56.843 58.100 -0.199 0.000 1.089 962 Y CB 1.487 39.783 38.460 -0.273 0.000 1.192 962 Y HN -0.096 nan 8.280 nan 0.000 0.454 963 S N 1.520 116.907 115.700 -0.522 0.000 2.603 963 S HA 0.077 4.557 4.470 0.016 0.000 0.268 963 S C 0.884 175.157 174.600 -0.545 0.000 1.317 963 S CA -0.831 56.699 58.200 -1.116 0.000 1.012 963 S CB 1.242 63.535 63.200 -1.512 0.000 0.926 963 S HN 0.724 nan 8.310 nan 0.000 0.539 964 Q N 0.764 120.260 119.800 -0.507 0.000 2.135 964 Q HA -0.238 4.111 4.340 0.016 0.000 0.204 964 Q C 2.215 178.073 176.000 -0.237 0.000 0.981 964 Q CA 2.043 57.682 55.803 -0.274 0.000 0.856 964 Q CB -0.573 28.034 28.738 -0.217 0.000 0.902 964 Q HN 0.979 nan 8.270 nan 0.000 0.425 965 Q N 0.590 120.208 119.800 -0.304 0.000 2.061 965 Q HA -0.235 4.114 4.340 0.016 0.000 0.204 965 Q C 2.136 178.035 176.000 -0.169 0.000 0.984 965 Q CA 1.733 57.417 55.803 -0.197 0.000 0.846 965 Q CB -0.020 28.608 28.738 -0.183 0.000 0.902 965 Q HN 0.425 nan 8.270 nan 0.000 0.421 966 Q N -0.024 119.651 119.800 -0.209 0.000 2.046 966 Q HA -0.156 4.194 4.340 0.016 0.000 0.200 966 Q C 2.227 178.118 176.000 -0.182 0.000 0.975 966 Q CA 1.321 57.025 55.803 -0.166 0.000 0.836 966 Q CB -0.078 28.548 28.738 -0.186 0.000 0.896 966 Q HN 0.499 nan 8.270 nan 0.000 0.428 967 L N 0.206 121.311 121.223 -0.198 0.000 2.042 967 L HA -0.222 4.128 4.340 0.016 0.000 0.210 967 L C 2.685 179.430 176.870 -0.209 0.000 1.076 967 L CA 1.339 56.056 54.840 -0.205 0.000 0.749 967 L CB -0.350 41.618 42.059 -0.150 0.000 0.893 967 L HN 0.387 nan 8.230 nan 0.000 0.432 968 M N -0.607 118.897 119.600 -0.159 0.000 2.374 968 M HA -0.170 4.320 4.480 0.016 0.000 0.264 968 M C 1.438 177.666 176.300 -0.121 0.000 1.067 968 M CA 1.609 56.830 55.300 -0.131 0.000 1.103 968 M CB 0.131 32.665 32.600 -0.111 0.000 1.402 968 M HN 0.194 nan 8.290 nan 0.000 0.444 969 E N -0.990 119.139 120.200 -0.119 0.000 2.481 969 E HA 0.089 4.449 4.350 0.016 0.000 0.198 969 E C -0.440 176.114 176.600 -0.076 0.000 1.027 969 E CA 0.013 56.366 56.400 -0.079 0.000 0.900 969 E CB 0.664 30.328 29.700 -0.059 0.000 0.993 969 E HN 0.255 nan 8.360 nan 0.000 0.482 970 T N 0.368 114.844 114.554 -0.129 0.000 2.786 970 T HA 0.100 4.460 4.350 0.016 0.000 0.283 970 T C 0.976 175.581 174.700 -0.157 0.000 0.992 970 T CA -0.504 61.521 62.100 -0.125 0.000 0.954 970 T CB 1.644 70.406 68.868 -0.177 0.000 0.934 970 T HN 0.028 nan 8.240 nan 0.000 0.440 971 S N 1.901 117.601 115.700 0.000 0.000 2.501 971 S HA 0.072 4.552 4.470 0.016 0.000 0.220 971 S C 0.266 174.875 174.600 0.014 0.000 0.997 971 S CA 0.291 58.549 58.200 0.097 0.000 0.919 971 S CB -0.241 63.153 63.200 0.325 0.000 0.778 971 S HN 0.744 nan 8.310 nan 0.000 0.523 972 H N 0.556 119.632 119.070 0.010 0.000 2.771 972 H HA 0.489 5.055 4.556 0.016 0.000 0.361 972 H C 0.934 176.224 175.328 -0.063 0.000 1.108 972 H CA -0.786 55.306 56.048 0.072 0.000 1.201 972 H CB 1.500 31.266 29.762 0.007 0.000 1.681 972 H HN 0.118 nan 8.280 nan 0.000 0.534 973 R N 1.991 122.591 120.500 0.168 0.000 2.127 973 R HA -0.177 4.173 4.340 0.016 0.000 0.238 973 R C 1.117 177.439 176.300 0.036 0.000 1.134 973 R CA 1.890 58.035 56.100 0.075 0.000 0.975 973 R CB -0.443 29.948 30.300 0.151 0.000 0.865 973 R HN 0.779 nan 8.270 nan 0.000 0.447 974 H N 0.888 119.972 119.070 0.023 0.000 2.561 974 H HA 0.042 4.607 4.556 0.016 0.000 0.278 974 H C 1.318 176.569 175.328 -0.128 0.000 1.014 974 H CA 0.665 56.680 56.048 -0.055 0.000 1.211 974 H CB -0.078 29.636 29.762 -0.081 0.000 1.365 974 H HN 0.321 nan 8.280 nan 0.000 0.594 975 L N 0.964 121.842 121.223 -0.575 0.000 2.640 975 L HA 0.250 4.600 4.340 0.016 0.000 0.230 975 L C 0.528 177.264 176.870 -0.223 0.000 1.123 975 L CA -0.200 54.365 54.840 -0.458 0.000 0.900 975 L CB 0.260 42.002 42.059 -0.529 0.000 1.146 975 L HN 0.047 nan 8.230 nan 0.000 0.484 976 L N 1.241 122.327 121.223 -0.229 0.000 2.426 976 L HA 0.116 4.466 4.340 0.016 0.000 0.271 976 L C 0.212 177.042 176.870 -0.068 0.000 1.169 976 L CA 0.067 54.734 54.840 -0.288 0.000 0.836 976 L CB 0.326 41.969 42.059 -0.692 0.000 1.112 976 L HN 0.217 nan 8.230 nan 0.000 0.465 977 H N 2.127 121.207 119.070 0.016 0.000 2.679 977 H HA 0.590 5.156 4.556 0.016 0.000 0.360 977 H C -0.945 174.529 175.328 0.243 0.000 1.105 977 H CA -1.189 54.924 56.048 0.109 0.000 1.196 977 H CB 1.421 31.201 29.762 0.031 0.000 1.636 977 H HN 0.663 nan 8.280 nan 0.000 0.531 978 A N 3.730 126.647 122.820 0.162 0.000 2.477 978 A HA 0.157 4.487 4.320 0.016 0.000 0.246 978 A C 0.307 177.905 177.584 0.023 0.000 1.078 978 A CA -0.276 51.727 52.037 -0.056 0.000 0.770 978 A CB 0.086 19.035 19.000 -0.084 0.000 1.011 978 A HN 0.856 nan 8.150 nan 0.000 0.494 979 E N 0.594 120.768 120.200 -0.043 0.000 2.292 979 E HA 0.282 4.642 4.350 0.016 0.000 0.258 979 E C 0.093 176.723 176.600 0.051 0.000 1.115 979 E CA -0.583 55.875 56.400 0.098 0.000 0.929 979 E CB 0.676 30.499 29.700 0.204 0.000 1.161 979 E HN 0.843 nan 8.360 nan 0.000 0.453 980 E N 0.315 120.548 120.200 0.054 0.000 2.398 980 E HA 0.291 4.651 4.350 0.016 0.000 0.263 980 E C 0.467 177.016 176.600 -0.085 0.000 1.046 980 E CA 0.035 56.428 56.400 -0.010 0.000 0.908 980 E CB 0.473 30.168 29.700 -0.007 0.000 0.963 980 E HN 0.674 nan 8.360 nan 0.000 0.431 981 G N 2.142 110.894 108.800 -0.079 0.000 2.698 981 G HA2 -0.208 3.761 3.960 0.016 0.000 0.233 981 G HA3 -0.208 3.761 3.960 0.016 0.000 0.233 981 G C -0.597 174.229 174.900 -0.124 0.000 1.352 981 G CA -0.142 44.889 45.100 -0.114 0.000 0.879 981 G HN 0.800 nan 8.290 nan 0.000 0.567 982 T N 0.184 114.649 114.554 -0.148 0.000 2.848 982 T HA 0.518 4.878 4.350 0.016 0.000 0.285 982 T C -0.735 173.807 174.700 -0.263 0.000 0.995 982 T CA -0.156 61.863 62.100 -0.135 0.000 0.970 982 T CB 1.401 70.273 68.868 0.008 0.000 0.976 982 T HN 0.562 nan 8.240 nan 0.000 0.441 983 W N 3.131 124.334 121.300 -0.162 0.000 2.335 983 W HA 0.587 5.257 4.660 0.016 0.000 0.306 983 W C -0.305 176.079 176.519 -0.225 0.000 1.216 983 W CA -0.712 56.534 57.345 -0.164 0.000 1.237 983 W CB 0.710 30.084 29.460 -0.143 0.000 1.243 983 W HN 0.353 nan 8.180 nan 0.000 0.493 984 L N 5.777 126.983 121.223 -0.029 0.000 2.313 984 L HA 0.496 4.846 4.340 0.016 0.000 0.283 984 L C -0.878 175.891 176.870 -0.168 0.000 1.013 984 L CA -0.448 54.260 54.840 -0.220 0.000 0.816 984 L CB 0.679 42.451 42.059 -0.478 0.000 1.236 984 L HN 0.318 nan 8.230 nan 0.000 0.419 985 N N 6.951 125.544 118.700 -0.179 0.000 2.443 985 N HA 0.459 5.209 4.740 0.016 0.000 0.269 985 N C -1.201 174.167 175.510 -0.236 0.000 0.985 985 N CA -0.286 52.656 53.050 -0.180 0.000 0.921 985 N CB 2.299 40.703 38.487 -0.138 0.000 1.195 985 N HN 0.537 nan 8.380 nan 0.000 0.492 986 I N 1.931 122.314 120.570 -0.312 0.000 2.382 986 I HA 0.248 4.427 4.170 0.016 0.000 0.286 986 I C -0.679 175.247 176.117 -0.318 0.000 1.002 986 I CA -0.546 60.535 61.300 -0.364 0.000 1.135 986 I CB 1.661 39.264 38.000 -0.662 0.000 1.288 986 I HN 0.195 nan 8.210 nan 0.000 0.448 987 D N 4.266 124.517 120.400 -0.250 0.000 2.248 987 D HA 0.318 4.968 4.640 0.016 0.000 0.246 987 D C 0.908 176.900 176.300 -0.514 0.000 1.027 987 D CA -0.271 53.512 54.000 -0.361 0.000 0.853 987 D CB 2.498 43.182 40.800 -0.193 0.000 1.243 987 D HN 0.681 nan 8.370 nan 0.000 0.462 988 G N 0.738 108.954 108.800 -0.974 0.000 2.396 988 G HA2 0.012 3.981 3.960 0.016 0.000 0.214 988 G HA3 0.012 3.981 3.960 0.016 0.000 0.214 988 G C 0.068 174.191 174.900 -1.296 0.000 1.166 988 G CA 0.534 44.910 45.100 -1.206 0.000 0.793 988 G HN 0.362 nan 8.290 nan 0.000 0.533 989 F N -1.885 117.874 119.950 -0.319 0.000 2.601 989 F HA 0.622 5.159 4.527 0.016 0.000 0.309 989 F C -0.501 175.200 175.800 -0.165 0.000 1.089 989 F CA -1.144 56.742 58.000 -0.190 0.000 0.940 989 F CB 2.225 41.030 39.000 -0.326 0.000 1.273 989 F HN 0.067 nan 8.300 nan 0.000 0.450 990 H N 1.770 120.836 119.070 -0.006 0.000 2.865 990 H HA 0.522 5.087 4.556 0.016 0.000 0.362 990 H C -0.936 174.409 175.328 0.028 0.000 1.114 990 H CA -0.876 55.144 56.048 -0.047 0.000 1.208 990 H CB 1.840 31.554 29.762 -0.080 0.000 1.727 990 H HN 0.771 nan 8.280 nan 0.000 0.534 991 M N 3.252 122.793 119.600 -0.099 0.000 2.240 991 M HA 0.297 4.786 4.480 0.016 0.000 0.333 991 M C 0.515 176.924 176.300 0.182 0.000 1.110 991 M CA 0.295 55.610 55.300 0.024 0.000 1.173 991 M CB 0.390 32.897 32.600 -0.155 0.000 1.458 991 M HN 0.843 nan 8.290 nan 0.000 0.458 992 G N 2.483 111.364 108.800 0.135 0.000 2.699 992 G HA2 0.301 4.271 3.960 0.016 0.000 0.246 992 G HA3 0.301 4.271 3.960 0.016 0.000 0.246 992 G C 0.538 175.415 174.900 -0.039 0.000 1.219 992 G CA -0.389 44.719 45.100 0.013 0.000 0.866 992 G HN 0.965 nan 8.290 nan 0.000 0.572 993 I N -1.681 118.816 120.570 -0.121 0.000 3.462 993 I HA 0.429 4.608 4.170 0.016 0.000 0.290 993 I C 1.271 177.313 176.117 -0.126 0.000 1.236 993 I CA 0.436 61.630 61.300 -0.178 0.000 1.418 993 I CB -0.458 37.335 38.000 -0.345 0.000 1.102 993 I HN 0.945 nan 8.210 nan 0.000 0.441 994 G N 1.560 110.305 108.800 -0.091 0.000 2.601 994 G HA2 0.039 4.009 3.960 0.016 0.000 0.252 994 G HA3 0.039 4.009 3.960 0.016 0.000 0.252 994 G C 0.598 175.483 174.900 -0.026 0.000 1.294 994 G CA 0.163 45.248 45.100 -0.026 0.000 0.912 994 G HN 1.421 nan 8.290 nan 0.000 0.574 995 G N -2.382 106.417 108.800 -0.002 0.000 2.370 995 G HA2 0.012 3.982 3.960 0.016 0.000 0.174 995 G HA3 0.012 3.982 3.960 0.016 0.000 0.174 995 G C 0.634 175.575 174.900 0.068 0.000 1.002 995 G CA 0.933 46.036 45.100 0.006 0.000 0.730 995 G HN 0.965 nan 8.290 nan 0.000 0.497 996 D N 1.210 121.675 120.400 0.108 0.000 2.190 996 D HA 0.090 4.739 4.640 0.016 0.000 0.200 996 D C 1.039 177.369 176.300 0.050 0.000 0.992 996 D CA 2.120 56.251 54.000 0.218 0.000 0.854 996 D CB 0.158 41.093 40.800 0.225 0.000 0.936 996 D HN 0.808 nan 8.370 nan 0.000 0.462 997 D N -3.330 116.901 120.400 -0.282 0.000 2.643 997 D HA 0.318 4.967 4.640 0.016 0.000 0.283 997 D C -0.880 174.917 176.300 -0.838 0.000 1.242 997 D CA -0.744 52.676 54.000 -0.966 0.000 0.863 997 D CB 0.881 40.602 40.800 -1.798 0.000 1.382 997 D HN -0.301 nan 8.370 nan 0.000 0.444 998 S N -0.457 114.574 115.700 -1.115 0.000 2.661 998 S HA 0.275 4.754 4.470 0.016 0.000 0.245 998 S C -0.704 173.905 174.600 0.016 0.000 1.117 998 S CA -0.671 57.354 58.200 -0.292 0.000 1.091 998 S CB -0.535 62.700 63.200 0.058 0.000 0.887 998 S HN 0.617 nan 8.310 nan 0.000 0.491 999 W N 0.531 121.763 121.300 -0.114 0.000 1.807 999 W HA 0.495 5.164 4.660 0.015 0.000 0.251 999 W C -0.032 176.428 176.519 -0.099 0.000 0.848 999 W CA -0.406 56.873 57.345 -0.110 0.000 1.157 999 W CB -0.447 28.886 29.460 -0.213 0.000 0.992 999 W HN 0.200 nan 8.180 nan 0.000 0.506 1000 S N -0.820 114.760 115.700 -0.201 0.000 2.537 1000 S HA 0.595 5.075 4.470 0.016 0.000 0.270 1000 S C -3.101 171.428 174.600 -0.118 0.000 1.142 1000 S CA -1.618 56.515 58.200 -0.112 0.000 0.870 1000 S CB 1.712 64.871 63.200 -0.067 0.000 1.112 1000 S HN -0.214 nan 8.310 nan 0.000 0.466 1001 P HA 0.142 nan 4.420 nan 0.000 0.261 1001 P C 0.457 177.789 177.300 0.053 0.000 1.183 1001 P CA 0.087 63.185 63.100 -0.003 0.000 0.761 1001 P CB 0.502 32.087 31.700 -0.191 0.000 0.785 1002 S N 0.740 116.511 115.700 0.118 0.000 2.780 1002 S HA 0.145 4.624 4.470 0.016 0.000 0.248 1002 S C 0.252 174.938 174.600 0.144 0.000 1.036 1002 S CA -0.317 57.934 58.200 0.086 0.000 1.061 1002 S CB -0.225 62.975 63.200 0.000 0.000 1.037 1002 S HN 0.121 nan 8.310 nan 0.000 0.584 1003 V N 2.822 122.875 119.914 0.231 0.000 2.488 1003 V HA 0.384 4.514 4.120 0.016 0.000 0.277 1003 V C 0.761 177.014 176.094 0.264 0.000 1.046 1003 V CA -0.321 62.100 62.300 0.202 0.000 0.986 1003 V CB 1.089 32.981 31.823 0.115 0.000 0.989 1003 V HN 0.498 nan 8.190 nan 0.000 0.475 1004 S N 3.921 119.791 115.700 0.283 0.000 2.562 1004 S HA 0.346 4.825 4.470 0.016 0.000 0.281 1004 S C 1.532 176.281 174.600 0.247 0.000 1.333 1004 S CA 0.038 58.398 58.200 0.266 0.000 1.052 1004 S CB 1.175 64.563 63.200 0.313 0.000 0.884 1004 S HN 1.002 nan 8.310 nan 0.000 0.506 1005 A N 3.950 126.869 122.820 0.165 0.000 1.915 1005 A HA -0.201 4.129 4.320 0.016 0.000 0.220 1005 A C 2.029 179.641 177.584 0.046 0.000 1.198 1005 A CA 2.115 54.228 52.037 0.127 0.000 0.647 1005 A CB -0.853 18.198 19.000 0.085 0.000 0.825 1005 A HN 0.982 nan 8.150 nan 0.000 0.456 1006 E N -1.010 119.151 120.200 -0.065 0.000 2.401 1006 E HA -0.147 4.212 4.350 0.016 0.000 0.199 1006 E C 0.855 177.199 176.600 -0.426 0.000 1.023 1006 E CA 0.946 57.185 56.400 -0.268 0.000 0.859 1006 E CB -0.429 29.022 29.700 -0.415 0.000 0.780 1006 E HN 0.701 nan 8.360 nan 0.000 0.523 1007 F N 1.095 121.095 119.950 0.083 0.000 2.654 1007 F HA 0.263 4.800 4.527 0.015 0.000 0.303 1007 F C 0.851 176.688 175.800 0.061 0.000 1.099 1007 F CA -0.524 57.526 58.000 0.083 0.000 1.270 1007 F CB 0.594 39.642 39.000 0.080 0.000 1.024 1007 F HN -0.195 nan 8.300 nan 0.000 0.548 1008 Q N 1.267 121.176 119.800 0.181 0.000 2.235 1008 Q HA 0.373 4.722 4.340 0.016 0.000 0.250 1008 Q C -0.173 175.854 176.000 0.044 0.000 0.909 1008 Q CA -0.450 55.428 55.803 0.125 0.000 0.910 1008 Q CB 1.825 30.705 28.738 0.237 0.000 1.223 1008 Q HN 0.263 nan 8.270 nan 0.000 0.432 1009 L N 2.581 123.818 121.223 0.024 0.000 2.399 1009 L HA 0.100 4.450 4.340 0.016 0.000 0.257 1009 L C 0.684 177.552 176.870 -0.004 0.000 1.236 1009 L CA -0.024 54.828 54.840 0.020 0.000 1.144 1009 L CB -0.227 41.743 42.059 -0.149 0.000 1.379 1009 L HN 0.682 nan 8.230 nan 0.000 0.414 1010 S N -1.081 114.525 115.700 -0.156 0.000 2.568 1010 S HA 0.151 4.631 4.470 0.016 0.000 0.232 1010 S C 1.618 176.158 174.600 -0.100 0.000 0.975 1010 S CA 0.161 58.110 58.200 -0.418 0.000 0.949 1010 S CB 0.743 63.495 63.200 -0.747 0.000 0.829 1010 S HN 0.506 nan 8.310 nan 0.000 0.479 1011 A N 1.448 124.229 122.820 -0.065 0.000 2.070 1011 A HA 0.415 4.745 4.320 0.016 0.000 0.220 1011 A C 2.131 179.546 177.584 -0.281 0.000 1.159 1011 A CA 1.336 53.172 52.037 -0.334 0.000 0.656 1011 A CB -1.312 17.215 19.000 -0.787 0.000 0.800 1011 A HN 1.531 nan 8.150 nan 0.000 0.453 1012 G N -1.432 107.321 108.800 -0.077 0.000 2.640 1012 G HA2 -0.305 3.665 3.960 0.016 0.000 0.226 1012 G HA3 -0.305 3.665 3.960 0.016 0.000 0.226 1012 G C 0.455 175.351 174.900 -0.006 0.000 1.222 1012 G CA 0.495 45.601 45.100 0.011 0.000 0.729 1012 G HN 0.709 nan 8.290 nan 0.000 0.516 1013 R N -0.556 119.812 120.500 -0.221 0.000 2.575 1013 R HA 0.693 5.043 4.340 0.016 0.000 0.293 1013 R C -1.557 174.523 176.300 -0.366 0.000 0.983 1013 R CA -0.570 55.453 56.100 -0.128 0.000 0.887 1013 R CB 1.569 31.831 30.300 -0.064 0.000 1.184 1013 R HN 0.268 nan 8.270 nan 0.000 0.445 1014 Y N 0.349 120.642 120.300 -0.013 0.000 2.477 1014 Y HA 0.346 4.906 4.550 0.016 0.000 0.347 1014 Y C -0.472 175.548 175.900 0.200 0.000 0.981 1014 Y CA -0.835 57.214 58.100 -0.085 0.000 1.033 1014 Y CB 2.247 40.512 38.460 -0.325 0.000 1.245 1014 Y HN 0.577 nan 8.280 nan 0.000 0.455 1015 H N 2.824 122.134 119.070 0.398 0.000 2.600 1015 H HA 0.613 5.178 4.556 0.016 0.000 0.357 1015 H C -1.697 174.007 175.328 0.625 0.000 1.106 1015 H CA -0.891 55.389 56.048 0.388 0.000 1.193 1015 H CB 1.195 31.095 29.762 0.230 0.000 1.594 1015 H HN 0.569 nan 8.280 nan 0.000 0.526 1016 Y N 1.062 121.110 120.300 -0.419 0.000 2.656 1016 Y HA 0.568 5.128 4.550 0.016 0.000 0.334 1016 Y C -2.042 173.667 175.900 -0.319 0.000 1.179 1016 Y CA -1.112 56.878 58.100 -0.183 0.000 1.050 1016 Y CB 1.345 39.811 38.460 0.009 0.000 1.308 1016 Y HN 0.641 nan 8.280 nan 0.000 0.456 1017 Q N 2.305 122.112 119.800 0.012 0.000 2.345 1017 Q HA 0.779 5.128 4.340 0.016 0.000 0.275 1017 Q C -1.867 174.219 176.000 0.143 0.000 1.063 1017 Q CA -0.792 55.003 55.803 -0.013 0.000 0.819 1017 Q CB 3.488 32.273 28.738 0.078 0.000 1.356 1017 Q HN 0.720 nan 8.270 nan 0.000 0.418 1018 L N 0.957 122.246 121.223 0.110 0.000 2.409 1018 L HA 0.740 5.090 4.340 0.016 0.000 0.262 1018 L C -1.067 175.917 176.870 0.190 0.000 0.992 1018 L CA -1.230 53.709 54.840 0.166 0.000 0.817 1018 L CB 2.399 44.532 42.059 0.122 0.000 1.350 1018 L HN 0.364 nan 8.230 nan 0.000 0.411 1019 V N 1.030 121.079 119.914 0.227 0.000 2.398 1019 V HA 0.381 4.511 4.120 0.016 0.000 0.286 1019 V C -1.053 175.225 176.094 0.307 0.000 1.026 1019 V CA -0.418 62.028 62.300 0.243 0.000 0.868 1019 V CB 1.784 33.726 31.823 0.199 0.000 0.982 1019 V HN 0.600 nan 8.190 nan 0.000 0.443 1020 W N 6.954 128.339 121.300 0.142 0.000 2.478 1020 W HA 0.723 5.393 4.660 0.016 0.000 0.318 1020 W C -0.241 176.311 176.519 0.056 0.000 1.062 1020 W CA -1.221 56.153 57.345 0.047 0.000 1.210 1020 W CB 1.414 30.962 29.460 0.147 0.000 1.325 1020 W HN 0.882 nan 8.180 nan 0.000 0.496 1021 C N 3.534 123.096 119.300 0.436 0.000 3.336 1021 C HA 0.744 5.214 4.460 0.016 0.000 0.339 1021 C C -0.762 174.351 174.990 0.205 0.000 1.468 1021 C CA -0.930 58.263 59.018 0.291 0.000 1.287 1021 C CB 1.480 29.332 27.740 0.188 0.000 1.682 1021 C HN 0.717 nan 8.230 nan 0.000 0.451 1022 Q N 1.554 121.424 119.800 0.117 0.000 2.325 1022 Q HA 0.699 5.049 4.340 0.016 0.000 0.262 1022 Q C -0.634 175.364 176.000 -0.003 0.000 0.968 1022 Q CA 0.110 55.923 55.803 0.016 0.000 0.877 1022 Q CB 0.684 29.395 28.738 -0.045 0.000 1.253 1022 Q HN 0.803 nan 8.270 nan 0.000 0.448 1023 K N 0.000 120.378 120.400 -0.037 0.000 2.780 1023 K HA 0.000 4.330 4.320 0.016 0.000 0.191 1023 K CA 0.000 56.272 56.287 -0.026 0.000 0.838 1023 K CB 0.000 32.483 32.500 -0.028 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543