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 2okx_1_A DATA FIRST_RESID 3 DATA SEQUENCE GRNWNASWIW GGQEESPRNE WRCFRGSFDA PASVEGPAML HITADSRYVL DATA SEQUENCE FVNGEQVGRG PVRSWPKEQF YDSYDIGGQL RPGVRNTIAV LVLHFGVSNF DATA SEQUENCE YYLRGRGGLI AEIEADGRTL AATDAAWRTE RLGGQRSNSP RMACQQGFGE DATA SEQUENCE VIDARELAED WALPAFDDGG WAQARSIGPA GTAPWTSLVP RDIPFLTEEK DATA SEQUENCE LYPASIQSLS RVKAPKYAAA LDLRNQMVPE SVNHANPVSY CGYVATILTL DATA SEQUENCE ETSGVVTLGF PTGVRGSGVW VDGVLQTEWT GVQPERYYSL NLAAGEHLVL DATA SEQUENCE VDITSSDHGG SSHFAIDSEA AFTLRSPAGD NGVPLATIGT FDQSEYIDHR DATA SEQUENCE PGRRMQTDHP DYRALPEAAP TAAALEAFAS WVKPFEPSLY TEENVFGSNV DATA SEQUENCE WRTLAERRAV PRSVLNAILP VPEPGVLPVF EDGDCELVID LGAERSGFIG DATA SEQUENCE FELEAPAGTI IDAYGVEYMR EGYTQHTYGL DNTFRYICRE GRQSYVSPVR DATA SEQUENCE RGFRYLFLTV RGNSAPVKLH EIYIRQSTYP VAEQGSFRCS DALLNATWEI DATA SEQUENCE SRHTTRLCME DTFVDCPSYE QVFWVGDSRN EALVNYYVFG ETEIVERCLN DATA SEQUENCE LVPGSADETP LYLDQVPSAW SSVIPNWTFF WILACREYAA HTGNEAFAAR DATA SEQUENCE IWPAVKHTLT HYLEHIDDSG LLNMAGWNLL DWAPIDQPNE GIVTHQNLFL DATA SEQUENCE VKALRDSRAL AAAAGATEEA DAFAARADLL AETINAVLWD EEKRAYIDCI DATA SEQUENCE HADGRRSDVY SMQTQVVAYL CGVAQGEREA VIEGYLSSPP PAFVQIGSPF DATA SEQUENCE MSFFYYEALE KAGRQTLMLD DIRRNYGQML RYDATTCWEM YPNFAENRSN DATA SEQUENCE PDMLTRSHCH AWSAAPGYFL GSSILGVKRG ADGWRTVDIA PQPCDLTWAE DATA SEQUENCE GVVPLPQGGH IAVSWEFVSA GKLKLRIEAP EDIEVNVTLP EGIEGEVTQV DATA SEQUENCE KYMS 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 3 G C 0.000 174.985 174.900 0.142 0.000 0.946 3 G CA 0.000 45.265 45.100 0.275 0.000 0.502 4 R N -0.904 119.620 120.500 0.041 0.000 2.817 4 R HA 0.621 4.962 4.340 0.001 0.000 0.268 4 R C -1.514 174.669 176.300 -0.195 0.000 1.027 4 R CA -1.050 54.929 56.100 -0.201 0.000 0.928 4 R CB 1.037 31.012 30.300 -0.541 0.000 1.228 4 R HN 0.345 nan 8.270 nan 0.000 0.469 5 N N 0.672 119.239 118.700 -0.221 0.000 2.419 5 N HA 0.168 4.909 4.740 0.001 0.000 0.264 5 N C -1.259 174.130 175.510 -0.202 0.000 1.031 5 N CA -0.082 52.914 53.050 -0.090 0.000 0.951 5 N CB 0.601 39.053 38.487 -0.058 0.000 1.101 5 N HN 0.365 nan 8.380 nan 0.000 0.488 6 W N 0.822 122.036 121.300 -0.143 0.000 2.381 6 W HA 0.392 5.053 4.660 0.001 0.000 0.329 6 W C 0.980 177.430 176.519 -0.114 0.000 1.157 6 W CA -0.671 56.572 57.345 -0.169 0.000 1.240 6 W CB 0.720 30.052 29.460 -0.213 0.000 1.199 6 W HN 0.330 nan 8.180 nan 0.000 0.579 7 N N 1.777 120.542 118.700 0.109 0.000 2.351 7 N HA 0.382 5.123 4.740 0.001 0.000 0.254 7 N C -0.730 174.812 175.510 0.053 0.000 1.241 7 N CA -0.050 53.033 53.050 0.055 0.000 0.883 7 N CB 0.918 39.409 38.487 0.006 0.000 1.202 7 N HN 0.368 nan 8.380 nan 0.000 0.512 8 A N -0.148 122.723 122.820 0.084 0.000 2.479 8 A HA 0.839 5.159 4.320 0.001 0.000 0.296 8 A C -0.490 177.037 177.584 -0.095 0.000 1.121 8 A CA -0.409 51.618 52.037 -0.017 0.000 0.743 8 A CB 1.410 20.397 19.000 -0.020 0.000 1.323 8 A HN 0.006 nan 8.150 nan 0.000 0.415 9 S N -0.796 114.804 115.700 -0.167 0.000 2.536 9 S HA 0.526 4.997 4.470 0.001 0.000 0.298 9 S C -1.226 173.247 174.600 -0.210 0.000 1.083 9 S CA -0.317 57.806 58.200 -0.129 0.000 0.995 9 S CB 0.728 63.913 63.200 -0.025 0.000 1.058 9 S HN 0.565 nan 8.310 nan 0.000 0.488 10 W N 3.307 124.482 121.300 -0.209 0.000 2.251 10 W HA 0.443 5.103 4.660 0.001 0.000 0.327 10 W C 0.334 176.774 176.519 -0.132 0.000 1.361 10 W CA -0.197 56.999 57.345 -0.247 0.000 1.234 10 W CB 0.211 29.563 29.460 -0.181 0.000 1.212 10 W HN 0.491 nan 8.180 nan 0.000 0.557 11 I N 0.995 121.616 120.570 0.085 0.000 2.934 11 I HA 0.688 4.858 4.170 0.001 0.000 0.306 11 I C -0.908 175.427 176.117 0.364 0.000 1.110 11 I CA -1.051 60.337 61.300 0.147 0.000 1.019 11 I CB 2.665 40.665 38.000 0.000 0.000 1.227 11 I HN 0.626 nan 8.210 nan 0.000 0.434 12 W N 2.561 123.999 121.300 0.230 0.000 3.163 12 W HA 0.721 5.381 4.660 0.001 0.000 0.395 12 W C -1.396 175.324 176.519 0.335 0.000 1.100 12 W CA -0.740 56.822 57.345 0.361 0.000 1.134 12 W CB 1.945 31.528 29.460 0.205 0.000 1.496 12 W HN 0.872 nan 8.180 nan 0.000 0.605 13 G N 0.291 108.773 108.800 -0.531 0.000 2.692 13 G HA2 0.565 4.525 3.960 0.001 0.000 0.291 13 G HA3 0.565 4.525 3.960 0.001 0.000 0.291 13 G C -0.414 174.278 174.900 -0.347 0.000 1.423 13 G CA 0.284 45.150 45.100 -0.390 0.000 0.843 13 G HN 1.429 nan 8.290 nan 0.000 0.486 14 G N -0.355 108.350 108.800 -0.158 0.000 2.795 14 G HA2 0.139 4.099 3.960 0.001 0.000 0.664 14 G HA3 0.139 4.099 3.960 0.001 0.000 0.664 14 G C 0.804 175.738 174.900 0.056 0.000 1.381 14 G CA 0.758 45.822 45.100 -0.060 0.000 0.853 14 G HN 1.311 nan 8.290 nan 0.000 0.545 15 Q N 0.199 120.037 119.800 0.063 0.000 2.134 15 Q HA 0.091 4.432 4.340 0.001 0.000 0.195 15 Q C 1.197 177.266 176.000 0.115 0.000 0.958 15 Q CA 1.394 57.245 55.803 0.080 0.000 0.840 15 Q CB -0.069 28.698 28.738 0.048 0.000 0.918 15 Q HN 0.847 nan 8.270 nan 0.000 0.467 16 E N 1.598 121.875 120.200 0.127 0.000 2.366 16 E HA -0.045 4.305 4.350 0.001 0.000 0.266 16 E C 0.256 176.964 176.600 0.181 0.000 1.015 16 E CA 0.059 56.538 56.400 0.133 0.000 0.906 16 E CB 0.686 30.463 29.700 0.128 0.000 0.979 16 E HN 0.227 nan 8.360 nan 0.000 0.443 17 E N 2.253 122.507 120.200 0.090 0.000 2.107 17 E HA -0.080 4.271 4.350 0.001 0.000 0.191 17 E C 0.337 176.823 176.600 -0.190 0.000 0.982 17 E CA 0.616 57.013 56.400 -0.004 0.000 0.809 17 E CB 0.232 29.911 29.700 -0.035 0.000 0.756 17 E HN 0.226 nan 8.360 nan 0.000 0.459 18 S N 1.497 117.160 115.700 -0.062 0.000 2.112 18 S HA 0.204 4.675 4.470 0.001 0.000 0.151 18 S C -2.621 172.098 174.600 0.198 0.000 1.723 18 S CA -1.639 56.550 58.200 -0.018 0.000 1.263 18 S CB 0.523 63.807 63.200 0.140 0.000 1.194 18 S HN -0.074 nan 8.310 nan 0.000 0.419 19 P HA 0.172 nan 4.420 nan 0.000 0.272 19 P C -0.584 176.890 177.300 0.289 0.000 1.223 19 P CA -0.536 62.717 63.100 0.254 0.000 0.784 19 P CB 0.553 32.418 31.700 0.275 0.000 0.923 20 R N 2.683 123.278 120.500 0.159 0.000 2.340 20 R HA 0.064 4.404 4.340 0.001 0.000 0.300 20 R C 0.589 176.837 176.300 -0.087 0.000 1.069 20 R CA -0.191 55.955 56.100 0.076 0.000 0.984 20 R CB -0.494 29.832 30.300 0.043 0.000 1.003 20 R HN 0.680 nan 8.270 nan 0.000 0.459 21 N N 2.770 121.316 118.700 -0.257 0.000 2.678 21 N HA -0.259 4.481 4.740 0.001 0.000 0.268 21 N C -1.221 174.214 175.510 -0.125 0.000 1.010 21 N CA 0.767 53.533 53.050 -0.474 0.000 0.784 21 N CB -0.135 37.560 38.487 -1.320 0.000 0.905 21 N HN 0.691 nan 8.380 nan 0.000 0.552 22 E N 1.131 121.440 120.200 0.182 0.000 2.176 22 E HA 0.260 4.611 4.350 0.001 0.000 0.267 22 E C -1.065 175.858 176.600 0.538 0.000 0.893 22 E CA -0.841 55.707 56.400 0.247 0.000 0.761 22 E CB 0.701 30.573 29.700 0.287 0.000 1.133 22 E HN 0.206 nan 8.360 nan 0.000 0.409 23 W N 4.326 125.669 121.300 0.072 0.000 2.349 23 W HA 0.425 5.085 4.660 0.001 0.000 0.309 23 W C 0.150 176.628 176.519 -0.069 0.000 1.083 23 W CA -0.873 56.509 57.345 0.061 0.000 1.224 23 W CB 0.826 30.307 29.460 0.035 0.000 1.256 23 W HN 0.442 nan 8.180 nan 0.000 0.461 24 R N 2.886 123.463 120.500 0.128 0.000 2.599 24 R HA 0.698 5.039 4.340 0.001 0.000 0.295 24 R C -1.012 175.100 176.300 -0.314 0.000 0.963 24 R CA -0.346 55.601 56.100 -0.254 0.000 0.883 24 R CB 1.103 31.069 30.300 -0.556 0.000 1.171 24 R HN 0.480 nan 8.270 nan 0.000 0.450 25 C N 3.923 122.852 119.300 -0.618 0.000 2.370 25 C HA 0.621 5.081 4.460 0.001 0.000 0.354 25 C C -0.804 173.945 174.990 -0.402 0.000 1.218 25 C CA -0.458 58.245 59.018 -0.526 0.000 2.154 25 C CB -0.142 27.053 27.740 -0.907 0.000 2.391 25 C HN 0.665 nan 8.230 nan 0.000 0.540 26 F N 1.085 121.232 119.950 0.327 0.000 2.565 26 F HA 0.643 5.170 4.527 0.001 0.000 0.313 26 F C 0.380 176.509 175.800 0.547 0.000 1.091 26 F CA -0.682 57.602 58.000 0.475 0.000 0.915 26 F CB 1.321 40.598 39.000 0.461 0.000 1.208 26 F HN 0.387 nan 8.300 nan 0.000 0.453 27 R N 0.947 121.801 120.500 0.590 0.000 2.574 27 R HA 0.774 5.114 4.340 0.001 0.000 0.288 27 R C -0.834 175.268 176.300 -0.330 0.000 1.004 27 R CA -1.103 55.081 56.100 0.140 0.000 0.895 27 R CB 2.423 32.723 30.300 -0.001 0.000 1.191 27 R HN 0.873 nan 8.270 nan 0.000 0.444 28 G N 0.723 108.982 108.800 -0.901 0.000 2.701 28 G HA2 0.522 4.482 3.960 0.001 0.000 0.300 28 G HA3 0.522 4.482 3.960 0.001 0.000 0.300 28 G C -1.116 173.387 174.900 -0.661 0.000 1.410 28 G CA -0.289 43.882 45.100 -1.548 0.000 1.014 28 G HN 0.428 nan 8.290 nan 0.000 0.509 29 S N -0.403 115.073 115.700 -0.372 0.000 2.634 29 S HA 0.917 5.388 4.470 0.001 0.000 0.296 29 S C -1.100 173.566 174.600 0.109 0.000 1.104 29 S CA -0.586 57.546 58.200 -0.113 0.000 0.920 29 S CB 1.547 64.653 63.200 -0.157 0.000 1.111 29 S HN 1.167 nan 8.310 nan 0.000 0.493 30 F N -1.185 118.697 119.950 -0.113 0.000 2.744 30 F HA 0.576 5.104 4.527 0.001 0.000 0.311 30 F C -2.074 173.698 175.800 -0.047 0.000 1.144 30 F CA -1.193 56.772 58.000 -0.058 0.000 0.938 30 F CB 0.453 39.439 39.000 -0.024 0.000 1.292 30 F HN 0.266 nan 8.300 nan 0.000 0.444 31 D N 2.396 122.780 120.400 -0.027 0.000 2.313 31 D HA 0.544 5.185 4.640 0.001 0.000 0.239 31 D C -0.167 176.122 176.300 -0.018 0.000 1.142 31 D CA 0.074 54.003 54.000 -0.118 0.000 0.847 31 D CB 1.666 42.447 40.800 -0.032 0.000 1.082 31 D HN 0.938 nan 8.370 nan 0.000 0.480 32 A N 4.203 126.930 122.820 -0.156 0.000 2.354 32 A HA 0.516 4.837 4.320 0.001 0.000 0.269 32 A C -2.065 175.533 177.584 0.024 0.000 1.109 32 A CA -1.152 50.900 52.037 0.026 0.000 0.800 32 A CB 0.163 19.139 19.000 -0.040 0.000 1.045 32 A HN 0.354 nan 8.150 nan 0.000 0.489 33 P HA 0.033 nan 4.420 nan 0.000 0.270 33 P C 0.760 178.068 177.300 0.014 0.000 1.227 33 P CA 0.613 63.734 63.100 0.035 0.000 0.788 33 P CB 0.692 32.419 31.700 0.045 0.000 0.926 34 A N 1.662 124.485 122.820 0.006 0.000 2.019 34 A HA -0.012 4.309 4.320 0.001 0.000 0.219 34 A C 1.030 178.615 177.584 0.002 0.000 1.164 34 A CA 1.681 53.717 52.037 -0.002 0.000 0.644 34 A CB -0.779 18.219 19.000 -0.003 0.000 0.805 34 A HN 0.763 nan 8.150 nan 0.000 0.449 35 S N -2.655 113.051 115.700 0.009 0.000 2.537 35 S HA 0.545 5.015 4.470 0.001 0.000 0.271 35 S C -1.181 173.430 174.600 0.018 0.000 1.148 35 S CA -0.147 58.059 58.200 0.011 0.000 0.868 35 S CB 1.457 64.661 63.200 0.007 0.000 1.115 35 S HN 1.165 nan 8.310 nan 0.000 0.461 36 V N 2.395 122.321 119.914 0.019 0.000 2.569 36 V HA 0.500 4.620 4.120 0.001 0.000 0.301 36 V C 0.329 176.433 176.094 0.017 0.000 1.044 36 V CA -0.483 61.831 62.300 0.022 0.000 0.874 36 V CB 1.683 33.525 31.823 0.032 0.000 1.002 36 V HN 1.022 nan 8.190 nan 0.000 0.424 37 E N 4.159 124.368 120.200 0.015 0.000 1.998 37 E HA 0.072 4.422 4.350 0.001 0.000 0.195 37 E C 1.272 177.880 176.600 0.013 0.000 0.994 37 E CA 1.312 57.719 56.400 0.012 0.000 0.835 37 E CB -0.487 29.220 29.700 0.011 0.000 0.786 37 E HN 0.879 nan 8.360 nan 0.000 0.467 38 G N 2.639 111.447 108.800 0.013 0.000 2.712 38 G HA2 0.145 4.106 3.960 0.001 0.000 0.258 38 G HA3 0.145 4.106 3.960 0.001 0.000 0.258 38 G C -2.191 172.718 174.900 0.016 0.000 1.241 38 G CA -0.649 44.459 45.100 0.014 0.000 0.923 38 G HN 0.094 nan 8.290 nan 0.000 0.548 39 P HA 0.341 nan 4.420 nan 0.000 0.275 39 P C -0.677 176.630 177.300 0.012 0.000 1.227 39 P CA -0.110 63.000 63.100 0.016 0.000 0.781 39 P CB 1.344 33.055 31.700 0.018 0.000 0.906 40 A N 5.443 128.271 122.820 0.013 0.000 2.343 40 A HA 0.455 4.776 4.320 0.001 0.000 0.305 40 A C 0.398 177.968 177.584 -0.024 0.000 1.308 40 A CA -0.414 51.626 52.037 0.005 0.000 0.949 40 A CB -0.477 18.543 19.000 0.034 0.000 1.148 40 A HN 0.393 nan 8.150 nan 0.000 0.545 41 M N 2.521 122.075 119.600 -0.075 0.000 2.318 41 M HA 0.385 4.866 4.480 0.001 0.000 0.347 41 M C -0.555 175.554 176.300 -0.319 0.000 1.175 41 M CA -0.560 54.620 55.300 -0.199 0.000 1.075 41 M CB 0.994 33.428 32.600 -0.276 0.000 1.614 41 M HN 0.628 nan 8.290 nan 0.000 0.456 42 L N 4.707 125.764 121.223 -0.277 0.000 2.318 42 L HA 0.394 4.735 4.340 0.001 0.000 0.277 42 L C -0.792 175.978 176.870 -0.167 0.000 1.008 42 L CA -0.393 54.341 54.840 -0.178 0.000 0.846 42 L CB 0.494 42.539 42.059 -0.023 0.000 1.220 42 L HN 0.581 nan 8.230 nan 0.000 0.423 43 H N 6.423 125.520 119.070 0.046 0.000 2.489 43 H HA 0.511 5.067 4.556 0.001 0.000 0.322 43 H C -0.640 174.799 175.328 0.185 0.000 1.091 43 H CA -0.296 55.808 56.048 0.092 0.000 1.291 43 H CB 2.425 32.010 29.762 -0.294 0.000 1.436 43 H HN 0.593 nan 8.280 nan 0.000 0.480 44 I N 1.466 122.259 120.570 0.371 0.000 2.918 44 I HA 0.359 4.529 4.170 0.001 0.000 0.301 44 I C -1.238 174.920 176.117 0.069 0.000 1.312 44 I CA -0.277 61.075 61.300 0.086 0.000 1.007 44 I CB 2.757 40.637 38.000 -0.200 0.000 1.281 44 I HN 0.584 nan 8.210 nan 0.000 0.440 45 T N 4.154 118.594 114.554 -0.190 0.000 2.802 45 T HA 0.895 5.245 4.350 0.001 0.000 0.311 45 T C -1.779 172.799 174.700 -0.204 0.000 1.405 45 T CA 0.120 62.191 62.100 -0.047 0.000 1.016 45 T CB 1.699 70.597 68.868 0.049 0.000 1.352 45 T HN 1.118 nan 8.240 nan 0.000 0.498 46 A N 1.700 124.580 122.820 0.100 0.000 2.581 46 A HA 0.737 5.058 4.320 0.001 0.000 0.290 46 A C -2.002 175.726 177.584 0.241 0.000 1.119 46 A CA -0.555 51.571 52.037 0.147 0.000 0.670 46 A CB 1.876 20.984 19.000 0.181 0.000 1.280 46 A HN 0.712 nan 8.150 nan 0.000 0.425 47 D N -0.107 120.429 120.400 0.226 0.000 2.620 47 D HA 0.537 5.177 4.640 0.001 0.000 0.252 47 D C 0.336 176.770 176.300 0.223 0.000 1.207 47 D CA -0.028 54.145 54.000 0.289 0.000 0.884 47 D CB 2.004 43.064 40.800 0.433 0.000 1.262 47 D HN 0.234 nan 8.370 nan 0.000 0.552 48 S N 3.093 118.743 115.700 -0.083 0.000 2.404 48 S HA 0.199 4.669 4.470 0.001 0.000 0.223 48 S C 0.776 175.263 174.600 -0.189 0.000 1.040 48 S CA 0.250 58.222 58.200 -0.380 0.000 0.957 48 S CB 0.593 62.861 63.200 -1.554 0.000 0.826 48 S HN 0.438 nan 8.310 nan 0.000 0.491 49 R N 0.025 120.398 120.500 -0.212 0.000 2.799 49 R HA 0.534 4.874 4.340 0.001 0.000 0.270 49 R C -1.490 174.820 176.300 0.016 0.000 1.010 49 R CA -0.716 55.331 56.100 -0.089 0.000 0.916 49 R CB 1.397 31.601 30.300 -0.160 0.000 1.228 49 R HN 0.420 nan 8.270 nan 0.000 0.469 50 Y N -2.673 117.614 120.300 -0.021 0.000 2.609 50 Y HA 0.799 5.349 4.550 0.001 0.000 0.342 50 Y C -1.209 174.660 175.900 -0.052 0.000 1.058 50 Y CA -1.167 56.932 58.100 -0.002 0.000 1.055 50 Y CB 1.549 40.036 38.460 0.045 0.000 1.292 50 Y HN 0.128 nan 8.280 nan 0.000 0.476 51 V N 3.555 123.570 119.914 0.169 0.000 2.443 51 V HA 0.371 4.492 4.120 0.001 0.000 0.293 51 V C -1.041 175.135 176.094 0.136 0.000 1.021 51 V CA -0.579 61.707 62.300 -0.025 0.000 0.848 51 V CB 1.353 33.131 31.823 -0.074 0.000 0.998 51 V HN 0.787 nan 8.190 nan 0.000 0.424 52 L N 5.828 127.033 121.223 -0.029 0.000 2.289 52 L HA 0.742 5.083 4.340 0.001 0.000 0.285 52 L C -1.212 175.397 176.870 -0.435 0.000 1.049 52 L CA 0.366 55.151 54.840 -0.093 0.000 0.804 52 L CB 0.916 42.880 42.059 -0.159 0.000 1.195 52 L HN 0.447 nan 8.230 nan 0.000 0.428 53 F N 4.262 124.162 119.950 -0.084 0.000 2.529 53 F HA 0.623 5.150 4.527 0.001 0.000 0.320 53 F C -0.417 175.310 175.800 -0.121 0.000 1.118 53 F CA -0.801 57.111 58.000 -0.146 0.000 0.915 53 F CB 2.170 41.039 39.000 -0.218 0.000 1.161 53 F HN 0.079 nan 8.300 nan 0.000 0.445 54 V N 3.705 123.636 119.914 0.029 0.000 2.376 54 V HA 0.312 4.432 4.120 0.001 0.000 0.287 54 V C -0.227 175.859 176.094 -0.014 0.000 1.015 54 V CA -1.129 61.173 62.300 0.005 0.000 0.834 54 V CB 1.158 32.963 31.823 -0.031 0.000 1.001 54 V HN 0.871 nan 8.190 nan 0.000 0.428 55 N N 4.162 122.843 118.700 -0.032 0.000 2.754 55 N HA -0.218 4.522 4.740 0.001 0.000 0.248 55 N C 1.200 176.667 175.510 -0.072 0.000 1.093 55 N CA 1.532 54.541 53.050 -0.069 0.000 0.699 55 N CB -1.006 37.438 38.487 -0.071 0.000 1.016 55 N HN 1.484 nan 8.380 nan 0.000 0.552 56 G N -0.368 108.388 108.800 -0.073 0.000 2.241 56 G HA2 -0.346 3.615 3.960 0.001 0.000 0.244 56 G HA3 -0.346 3.615 3.960 0.001 0.000 0.244 56 G C -0.177 174.744 174.900 0.034 0.000 0.998 56 G CA 0.593 45.634 45.100 -0.098 0.000 0.621 56 G HN 0.620 nan 8.290 nan 0.000 0.519 57 E N 1.088 121.307 120.200 0.032 0.000 2.229 57 E HA 0.430 4.781 4.350 0.001 0.000 0.283 57 E C 0.349 176.921 176.600 -0.048 0.000 1.030 57 E CA -0.508 55.895 56.400 0.006 0.000 0.836 57 E CB 0.367 30.037 29.700 -0.051 0.000 1.068 57 E HN 0.378 nan 8.360 nan 0.000 0.401 58 Q N 3.623 123.328 119.800 -0.159 0.000 2.271 58 Q HA 0.053 4.393 4.340 0.001 0.000 0.273 58 Q C 0.077 175.822 176.000 -0.424 0.000 1.051 58 Q CA -0.212 55.235 55.803 -0.592 0.000 0.901 58 Q CB 1.070 29.444 28.738 -0.607 0.000 1.174 58 Q HN 0.564 nan 8.270 nan 0.000 0.385 59 V N 3.040 122.664 119.914 -0.484 0.000 2.922 59 V HA 0.332 4.453 4.120 0.001 0.000 0.242 59 V C 0.738 176.540 176.094 -0.486 0.000 1.094 59 V CA 1.038 63.074 62.300 -0.439 0.000 1.106 59 V CB 0.796 32.318 31.823 -0.503 0.000 0.799 59 V HN 0.886 nan 8.190 nan 0.000 0.474 60 G N -0.388 108.100 108.800 -0.519 0.000 2.488 60 G HA2 0.624 4.585 3.960 0.001 0.000 0.301 60 G HA3 0.624 4.585 3.960 0.001 0.000 0.301 60 G C -1.629 173.103 174.900 -0.280 0.000 1.339 60 G CA -0.871 44.023 45.100 -0.343 0.000 0.803 60 G HN 0.095 nan 8.290 nan 0.000 0.482 61 R N -1.260 119.096 120.500 -0.239 0.000 2.808 61 R HA 0.825 5.166 4.340 0.001 0.000 0.272 61 R C -0.083 175.883 176.300 -0.557 0.000 0.995 61 R CA -0.226 55.576 56.100 -0.496 0.000 0.917 61 R CB 2.423 32.490 30.300 -0.387 0.000 1.217 61 R HN 1.418 nan 8.270 nan 0.000 0.471 62 G N 0.895 109.077 108.800 -1.030 0.000 2.335 62 G HA2 0.280 4.241 3.960 0.001 0.000 0.291 62 G HA3 0.280 4.241 3.960 0.001 0.000 0.291 62 G C -3.143 171.524 174.900 -0.389 0.000 1.261 62 G CA -0.703 44.081 45.100 -0.527 0.000 0.871 62 G HN 0.372 nan 8.290 nan 0.000 0.491 63 P HA 0.481 nan 4.420 nan 0.000 0.282 63 P C 0.614 177.997 177.300 0.137 0.000 1.287 63 P CA -0.182 63.083 63.100 0.275 0.000 0.792 63 P CB 1.170 33.109 31.700 0.400 0.000 1.163 64 V N -2.071 117.908 119.914 0.107 0.000 3.185 64 V HA 0.235 4.356 4.120 0.001 0.000 0.305 64 V C 0.935 177.077 176.094 0.081 0.000 1.090 64 V CA -0.678 61.617 62.300 -0.009 0.000 1.107 64 V CB -0.571 31.127 31.823 -0.208 0.000 1.061 64 V HN 0.621 nan 8.190 nan 0.000 0.480 65 R N 2.013 122.537 120.500 0.040 0.000 2.570 65 R HA 0.467 4.808 4.340 0.001 0.000 0.277 65 R C -0.354 176.067 176.300 0.202 0.000 1.039 65 R CA 0.040 56.219 56.100 0.133 0.000 1.065 65 R CB 0.178 30.534 30.300 0.093 0.000 0.964 65 R HN 0.825 nan 8.270 nan 0.000 0.428 66 S N 1.836 117.696 115.700 0.267 0.000 2.618 66 S HA 0.365 4.836 4.470 0.001 0.000 0.277 66 S C -1.373 173.317 174.600 0.150 0.000 1.138 66 S CA -0.879 57.522 58.200 0.335 0.000 0.844 66 S CB 0.911 64.401 63.200 0.483 0.000 1.127 66 S HN 0.629 nan 8.310 nan 0.000 0.474 67 W N 1.564 122.985 121.300 0.201 0.000 2.351 67 W HA 0.367 5.027 4.660 0.001 0.000 0.311 67 W C -2.072 174.504 176.519 0.096 0.000 1.168 67 W CA -1.704 55.702 57.345 0.102 0.000 1.200 67 W CB 0.342 29.832 29.460 0.049 0.000 1.221 67 W HN 0.550 nan 8.180 nan 0.000 0.519 68 P HA -0.291 nan 4.420 nan 0.000 0.218 68 P C 1.409 178.815 177.300 0.178 0.000 1.146 68 P CA 2.120 65.351 63.100 0.219 0.000 0.820 68 P CB 0.169 31.896 31.700 0.044 0.000 0.778 69 K N 0.034 120.518 120.400 0.140 0.000 2.209 69 K HA -0.111 4.209 4.320 0.001 0.000 0.204 69 K C 0.398 177.045 176.600 0.080 0.000 1.048 69 K CA 1.358 57.685 56.287 0.067 0.000 0.940 69 K CB -0.252 32.249 32.500 0.003 0.000 0.729 69 K HN 0.170 nan 8.250 nan 0.000 0.451 70 E N 1.593 121.857 120.200 0.107 0.000 3.386 70 E HA 0.057 4.408 4.350 0.001 0.000 0.236 70 E C -1.423 175.133 176.600 -0.074 0.000 1.227 70 E CA -0.505 55.887 56.400 -0.013 0.000 0.970 70 E CB 1.242 30.891 29.700 -0.085 0.000 1.343 70 E HN 0.110 nan 8.360 nan 0.000 0.397 71 Q N 1.605 121.471 119.800 0.111 0.000 2.263 71 Q HA 0.100 4.441 4.340 0.001 0.000 0.270 71 Q C -1.089 175.011 176.000 0.167 0.000 1.104 71 Q CA 0.188 56.127 55.803 0.226 0.000 0.909 71 Q CB 0.045 29.011 28.738 0.380 0.000 1.214 71 Q HN 0.205 nan 8.270 nan 0.000 0.400 72 F N 5.070 125.167 119.950 0.245 0.000 2.495 72 F HA 0.201 4.729 4.527 0.001 0.000 0.365 72 F C -0.052 175.891 175.800 0.238 0.000 1.090 72 F CA 0.063 58.166 58.000 0.171 0.000 1.235 72 F CB 0.284 39.344 39.000 0.100 0.000 1.119 72 F HN 0.488 nan 8.300 nan 0.000 0.562 73 Y N 0.002 120.529 120.300 0.378 0.000 2.485 73 Y HA 0.644 5.194 4.550 0.001 0.000 0.345 73 Y C -0.976 175.109 175.900 0.308 0.000 0.998 73 Y CA -1.691 56.603 58.100 0.325 0.000 1.059 73 Y CB 0.880 39.563 38.460 0.371 0.000 1.234 73 Y HN 0.405 nan 8.280 nan 0.000 0.461 74 D N 1.563 122.242 120.400 0.465 0.000 2.181 74 D HA 0.411 5.052 4.640 0.001 0.000 0.248 74 D C -0.964 175.564 176.300 0.380 0.000 1.020 74 D CA -0.502 53.695 54.000 0.328 0.000 0.891 74 D CB 1.975 43.061 40.800 0.476 0.000 1.187 74 D HN 0.593 nan 8.370 nan 0.000 0.443 75 S N 1.124 116.943 115.700 0.198 0.000 2.707 75 S HA 0.356 4.826 4.470 0.001 0.000 0.312 75 S C -0.976 173.671 174.600 0.078 0.000 1.116 75 S CA -0.677 57.627 58.200 0.173 0.000 1.078 75 S CB 0.334 63.689 63.200 0.259 0.000 0.997 75 S HN 0.233 nan 8.310 nan 0.000 0.477 76 Y N 1.263 121.628 120.300 0.109 0.000 2.387 76 Y HA 0.379 4.930 4.550 0.001 0.000 0.336 76 Y C 0.441 176.331 175.900 -0.016 0.000 1.067 76 Y CA -1.090 57.053 58.100 0.071 0.000 1.114 76 Y CB 0.770 39.191 38.460 -0.065 0.000 1.208 76 Y HN 0.457 nan 8.280 nan 0.000 0.458 77 D N 4.272 124.771 120.400 0.165 0.000 2.365 77 D HA 0.114 4.754 4.640 0.001 0.000 0.237 77 D C 0.421 176.764 176.300 0.072 0.000 1.190 77 D CA -0.133 53.915 54.000 0.079 0.000 0.867 77 D CB 0.576 41.415 40.800 0.066 0.000 1.050 77 D HN 0.696 nan 8.370 nan 0.000 0.491 78 I N 0.967 121.564 120.570 0.044 0.000 3.855 78 I HA 0.345 4.516 4.170 0.001 0.000 0.327 78 I C 1.596 177.726 176.117 0.021 0.000 1.359 78 I CA -0.660 60.654 61.300 0.023 0.000 1.142 78 I CB 0.301 38.310 38.000 0.016 0.000 1.041 78 I HN 0.272 nan 8.210 nan 0.000 0.403 79 G N 1.797 110.611 108.800 0.023 0.000 2.462 79 G HA2 -0.198 3.762 3.960 0.001 0.000 0.220 79 G HA3 -0.198 3.762 3.960 0.001 0.000 0.220 79 G C 1.474 176.379 174.900 0.008 0.000 1.121 79 G CA 0.864 45.975 45.100 0.019 0.000 0.758 79 G HN 0.561 nan 8.290 nan 0.000 0.559 80 G N -0.268 108.534 108.800 0.003 0.000 2.448 80 G HA2 0.015 3.976 3.960 0.001 0.000 0.218 80 G HA3 0.015 3.976 3.960 0.001 0.000 0.218 80 G C 1.712 176.602 174.900 -0.017 0.000 1.135 80 G CA 0.819 45.914 45.100 -0.008 0.000 0.784 80 G HN 0.492 nan 8.290 nan 0.000 0.543 81 Q N -0.761 119.028 119.800 -0.018 0.000 2.352 81 Q HA 0.373 4.713 4.340 0.001 0.000 0.212 81 Q C 0.925 176.913 176.000 -0.020 0.000 0.888 81 Q CA -0.335 55.451 55.803 -0.027 0.000 0.934 81 Q CB 0.461 29.176 28.738 -0.038 0.000 1.093 81 Q HN 0.410 nan 8.270 nan 0.000 0.523 82 L N 1.833 123.055 121.223 -0.002 0.000 2.453 82 L HA 0.169 4.509 4.340 0.001 0.000 0.272 82 L C -0.437 176.416 176.870 -0.028 0.000 1.182 82 L CA 0.006 54.848 54.840 0.004 0.000 0.858 82 L CB 0.522 42.606 42.059 0.042 0.000 1.120 82 L HN 0.074 nan 8.230 nan 0.000 0.474 83 R N 6.519 126.981 120.500 -0.065 0.000 2.278 83 R HA 0.334 4.674 4.340 0.001 0.000 0.322 83 R C -2.353 173.899 176.300 -0.080 0.000 1.058 83 R CA -1.789 54.264 56.100 -0.077 0.000 0.991 83 R CB 0.599 30.835 30.300 -0.106 0.000 1.140 83 R HN 0.470 nan 8.270 nan 0.000 0.518 84 P HA -0.070 nan 4.420 nan 0.000 0.266 84 P C 0.689 177.961 177.300 -0.045 0.000 1.195 84 P CA 0.746 63.825 63.100 -0.034 0.000 0.768 84 P CB 1.004 32.695 31.700 -0.016 0.000 0.838 85 G N 1.089 109.865 108.800 -0.040 0.000 2.189 85 G HA2 -0.213 3.747 3.960 0.001 0.000 0.267 85 G HA3 -0.213 3.747 3.960 0.001 0.000 0.267 85 G C 0.094 174.956 174.900 -0.064 0.000 0.975 85 G CA 0.464 45.539 45.100 -0.042 0.000 0.644 85 G HN 0.795 nan 8.290 nan 0.000 0.537 86 V N -3.789 116.066 119.914 -0.097 0.000 3.156 86 V HA 0.852 4.972 4.120 0.001 0.000 0.311 86 V C 0.568 176.546 176.094 -0.195 0.000 1.208 86 V CA -0.901 61.327 62.300 -0.121 0.000 1.063 86 V CB 1.493 33.251 31.823 -0.108 0.000 1.098 86 V HN 0.565 nan 8.190 nan 0.000 0.452 87 R N 1.875 122.259 120.500 -0.194 0.000 2.489 87 R HA 0.311 4.651 4.340 0.001 0.000 0.287 87 R C -0.477 175.620 176.300 -0.339 0.000 1.053 87 R CA 0.013 55.955 56.100 -0.263 0.000 1.036 87 R CB 0.068 30.258 30.300 -0.185 0.000 0.966 87 R HN 0.918 nan 8.270 nan 0.000 0.432 88 N N 2.105 120.467 118.700 -0.564 0.000 2.335 88 N HA 0.309 5.050 4.740 0.001 0.000 0.304 88 N C -1.305 173.969 175.510 -0.392 0.000 1.135 88 N CA -0.545 52.174 53.050 -0.553 0.000 0.817 88 N CB 2.437 40.383 38.487 -0.901 0.000 1.294 88 N HN 0.530 nan 8.380 nan 0.000 0.497 89 T N 1.681 116.115 114.554 -0.201 0.000 2.824 89 T HA 0.470 4.820 4.350 0.001 0.000 0.282 89 T C -0.176 174.497 174.700 -0.044 0.000 0.993 89 T CA -0.512 61.511 62.100 -0.128 0.000 0.967 89 T CB 1.088 69.869 68.868 -0.145 0.000 0.960 89 T HN 0.225 nan 8.240 nan 0.000 0.441 90 I N 2.903 123.447 120.570 -0.044 0.000 2.354 90 I HA 0.690 4.860 4.170 0.001 0.000 0.292 90 I C 0.162 176.296 176.117 0.028 0.000 0.989 90 I CA -0.974 60.345 61.300 0.032 0.000 1.188 90 I CB 0.947 39.009 38.000 0.104 0.000 1.342 90 I HN 0.730 nan 8.210 nan 0.000 0.457 91 A N 6.613 129.519 122.820 0.143 0.000 2.371 91 A HA 0.870 5.191 4.320 0.001 0.000 0.311 91 A C -1.012 176.858 177.584 0.477 0.000 1.068 91 A CA -0.490 51.695 52.037 0.246 0.000 0.744 91 A CB 1.784 20.727 19.000 -0.094 0.000 1.239 91 A HN 0.405 nan 8.150 nan 0.000 0.435 92 V N 2.149 122.473 119.914 0.683 0.000 2.841 92 V HA 0.531 4.652 4.120 0.001 0.000 0.310 92 V C -1.095 175.460 176.094 0.768 0.000 1.090 92 V CA -0.533 62.171 62.300 0.673 0.000 0.930 92 V CB 1.771 33.872 31.823 0.463 0.000 1.014 92 V HN 0.896 nan 8.190 nan 0.000 0.425 93 L N 5.259 126.891 121.223 0.681 0.000 2.305 93 L HA 0.773 5.113 4.340 0.001 0.000 0.284 93 L C -0.733 176.332 176.870 0.325 0.000 1.013 93 L CA 0.036 55.140 54.840 0.439 0.000 0.819 93 L CB 1.585 43.906 42.059 0.437 0.000 1.227 93 L HN 0.467 nan 8.230 nan 0.000 0.417 94 V N 6.371 126.490 119.914 0.342 0.000 2.417 94 V HA 0.437 4.558 4.120 0.001 0.000 0.291 94 V C -0.416 175.825 176.094 0.246 0.000 1.024 94 V CA -0.553 61.956 62.300 0.348 0.000 0.861 94 V CB 1.603 33.783 31.823 0.595 0.000 0.985 94 V HN 0.532 nan 8.190 nan 0.000 0.436 95 L N 4.818 126.052 121.223 0.020 0.000 2.257 95 L HA 0.489 4.830 4.340 0.001 0.000 0.290 95 L C -0.264 176.584 176.870 -0.038 0.000 1.044 95 L CA -0.139 54.661 54.840 -0.066 0.000 0.810 95 L CB 0.606 42.446 42.059 -0.365 0.000 1.193 95 L HN 0.653 nan 8.230 nan 0.000 0.425 96 H N 2.461 121.601 119.070 0.118 0.000 2.551 96 H HA 0.381 4.937 4.556 0.001 0.000 0.321 96 H C 0.229 175.616 175.328 0.098 0.000 1.028 96 H CA -0.449 55.572 56.048 -0.045 0.000 1.215 96 H CB 0.755 30.534 29.762 0.027 0.000 1.414 96 H HN 0.428 nan 8.280 nan 0.000 0.480 97 F N 2.968 122.679 119.950 -0.399 0.000 2.163 97 F HA 0.092 4.620 4.527 0.001 0.000 0.297 97 F C 2.416 178.220 175.800 0.006 0.000 1.094 97 F CA 1.286 59.266 58.000 -0.033 0.000 1.290 97 F CB -0.745 38.227 39.000 -0.047 0.000 1.017 97 F HN 0.861 nan 8.300 nan 0.000 0.483 98 G N 0.011 108.753 108.800 -0.096 0.000 2.155 98 G HA2 -0.224 3.736 3.960 0.001 0.000 0.257 98 G HA3 -0.224 3.736 3.960 0.001 0.000 0.257 98 G C -0.132 174.945 174.900 0.294 0.000 0.983 98 G CA 0.396 45.623 45.100 0.212 0.000 0.676 98 G HN 0.352 nan 8.290 nan 0.000 0.528 99 V N 0.071 120.211 119.914 0.377 0.000 2.851 99 V HA 0.608 4.728 4.120 0.001 0.000 0.307 99 V C 0.395 176.692 176.094 0.338 0.000 1.129 99 V CA -0.427 62.052 62.300 0.298 0.000 0.932 99 V CB 1.951 33.938 31.823 0.273 0.000 1.024 99 V HN 0.330 nan 8.190 nan 0.000 0.426 100 S N 3.757 119.582 115.700 0.209 0.000 2.585 100 S HA 0.538 5.008 4.470 0.001 0.000 0.273 100 S C 0.004 174.685 174.600 0.135 0.000 1.339 100 S CA -0.373 57.940 58.200 0.189 0.000 1.028 100 S CB 0.806 64.063 63.200 0.095 0.000 0.906 100 S HN 1.031 nan 8.310 nan 0.000 0.528 101 N N -0.607 118.179 118.700 0.145 0.000 3.418 101 N HA 0.390 5.130 4.740 0.001 0.000 0.316 101 N C -0.521 175.114 175.510 0.207 0.000 1.601 101 N CA -0.838 52.243 53.050 0.052 0.000 0.805 101 N CB -0.316 37.984 38.487 -0.311 0.000 1.873 101 N HN 0.287 nan 8.380 nan 0.000 0.615 102 F N -0.724 119.063 119.950 -0.272 0.000 2.802 102 F HA 0.190 4.717 4.527 0.001 0.000 0.300 102 F C 0.226 175.985 175.800 -0.069 0.000 1.168 102 F CA 0.093 58.005 58.000 -0.145 0.000 1.433 102 F CB -0.728 38.207 39.000 -0.108 0.000 1.115 102 F HN 0.564 nan 8.300 nan 0.000 0.582 103 Y N -3.175 117.258 120.300 0.221 0.000 2.809 103 Y HA 0.433 4.984 4.550 0.001 0.000 0.251 103 Y C -1.002 175.050 175.900 0.252 0.000 1.136 103 Y CA -2.110 56.082 58.100 0.154 0.000 1.185 103 Y CB -0.827 37.728 38.460 0.159 0.000 1.260 103 Y HN -0.005 nan 8.280 nan 0.000 0.576 104 Y N 0.736 121.177 120.300 0.236 0.000 2.424 104 Y HA 0.612 5.163 4.550 0.001 0.000 0.323 104 Y C -2.563 173.449 175.900 0.187 0.000 1.174 104 Y CA -1.620 56.643 58.100 0.273 0.000 1.060 104 Y CB 1.192 39.934 38.460 0.471 0.000 1.314 104 Y HN 0.031 nan 8.280 nan 0.000 0.439 105 L N 6.398 127.258 121.223 -0.606 0.000 2.287 105 L HA 0.522 4.863 4.340 0.001 0.000 0.287 105 L C 0.215 176.585 176.870 -0.834 0.000 1.022 105 L CA -0.527 54.037 54.840 -0.460 0.000 0.814 105 L CB 1.421 43.398 42.059 -0.137 0.000 1.217 105 L HN 0.636 nan 8.230 nan 0.000 0.420 106 R N 1.573 121.803 120.500 -0.450 0.000 2.494 106 R HA 0.156 4.496 4.340 0.001 0.000 0.291 106 R C 0.418 176.655 176.300 -0.105 0.000 0.953 106 R CA 1.000 57.012 56.100 -0.146 0.000 1.098 106 R CB 0.280 30.630 30.300 0.083 0.000 0.911 106 R HN 0.904 nan 8.270 nan 0.000 0.407 107 G N 3.907 112.747 108.800 0.067 0.000 2.665 107 G HA2 0.315 4.276 3.960 0.001 0.000 0.204 107 G HA3 0.315 4.276 3.960 0.001 0.000 0.204 107 G C -0.855 174.054 174.900 0.015 0.000 1.883 107 G CA -0.297 44.766 45.100 -0.061 0.000 0.734 107 G HN 0.657 nan 8.290 nan 0.000 0.811 108 R N -1.136 119.415 120.500 0.085 0.000 2.664 108 R HA 0.531 4.872 4.340 0.001 0.000 0.266 108 R C -0.225 175.790 176.300 -0.475 0.000 1.046 108 R CA -0.466 55.524 56.100 -0.184 0.000 0.885 108 R CB 0.597 30.731 30.300 -0.277 0.000 1.254 108 R HN 0.754 nan 8.270 nan 0.000 0.465 109 G N 0.131 108.009 108.800 -1.537 0.000 2.353 109 G HA2 0.410 4.370 3.960 0.001 0.000 0.239 109 G HA3 0.410 4.370 3.960 0.001 0.000 0.239 109 G C -0.052 174.140 174.900 -1.181 0.000 1.295 109 G CA 0.396 44.188 45.100 -2.180 0.000 0.884 109 G HN 0.898 nan 8.290 nan 0.000 0.537 110 G N -0.098 108.428 108.800 -0.458 0.000 2.556 110 G HA2 0.575 4.535 3.960 0.001 0.000 0.294 110 G HA3 0.575 4.535 3.960 0.001 0.000 0.294 110 G C -1.984 173.061 174.900 0.242 0.000 1.516 110 G CA -0.686 44.508 45.100 0.157 0.000 0.824 110 G HN 1.268 nan 8.290 nan 0.000 0.535 111 L N 1.262 122.519 121.223 0.057 0.000 2.464 111 L HA 0.920 5.261 4.340 0.001 0.000 0.266 111 L C -1.407 175.059 176.870 -0.674 0.000 0.965 111 L CA -0.908 53.704 54.840 -0.379 0.000 0.833 111 L CB 1.908 43.541 42.059 -0.711 0.000 1.296 111 L HN 0.736 nan 8.230 nan 0.000 0.405 112 I N 4.417 124.390 120.570 -0.995 0.000 2.512 112 I HA 0.873 5.044 4.170 0.001 0.000 0.287 112 I C -1.360 174.334 176.117 -0.704 0.000 1.069 112 I CA -0.166 60.478 61.300 -1.093 0.000 1.056 112 I CB 1.568 38.402 38.000 -1.943 0.000 1.229 112 I HN 0.918 nan 8.210 nan 0.000 0.429 113 A N 6.167 128.705 122.820 -0.471 0.000 2.549 113 A HA 0.780 5.100 4.320 0.001 0.000 0.297 113 A C -1.457 176.097 177.584 -0.050 0.000 1.061 113 A CA -0.501 51.431 52.037 -0.176 0.000 0.690 113 A CB 1.995 20.874 19.000 -0.202 0.000 1.287 113 A HN 0.715 nan 8.150 nan 0.000 0.402 114 E N 1.640 121.877 120.200 0.062 0.000 2.304 114 E HA 0.531 4.882 4.350 0.001 0.000 0.277 114 E C -1.769 174.814 176.600 -0.029 0.000 0.898 114 E CA -0.470 55.940 56.400 0.016 0.000 0.764 114 E CB 1.509 31.220 29.700 0.018 0.000 1.216 114 E HN 0.620 nan 8.360 nan 0.000 0.419 115 I N 3.522 124.030 120.570 -0.103 0.000 2.321 115 I HA 0.308 4.479 4.170 0.001 0.000 0.291 115 I C -0.099 175.941 176.117 -0.127 0.000 0.998 115 I CA -0.329 60.876 61.300 -0.159 0.000 1.227 115 I CB 1.500 39.312 38.000 -0.313 0.000 1.368 115 I HN 0.494 nan 8.210 nan 0.000 0.466 116 E N 5.719 125.873 120.200 -0.077 0.000 2.266 116 E HA 0.811 5.161 4.350 0.001 0.000 0.268 116 E C -1.669 174.919 176.600 -0.020 0.000 0.879 116 E CA -0.822 55.558 56.400 -0.034 0.000 0.762 116 E CB 2.292 32.003 29.700 0.018 0.000 1.199 116 E HN 0.704 nan 8.360 nan 0.000 0.422 117 A N 3.859 126.674 122.820 -0.009 0.000 2.465 117 A HA 0.452 4.773 4.320 0.001 0.000 0.292 117 A C -1.055 176.534 177.584 0.008 0.000 1.041 117 A CA -0.552 51.488 52.037 0.005 0.000 0.718 117 A CB 0.982 19.991 19.000 0.016 0.000 1.266 117 A HN 0.769 nan 8.150 nan 0.000 0.403 118 D N 1.585 121.990 120.400 0.009 0.000 2.723 118 D HA -0.165 4.475 4.640 0.001 0.000 0.236 118 D C 1.189 177.491 176.300 0.003 0.000 1.138 118 D CA 2.929 56.934 54.000 0.008 0.000 0.676 118 D CB -1.353 39.453 40.800 0.011 0.000 1.069 118 D HN 2.228 nan 8.370 nan 0.000 0.430 119 G N -0.587 108.212 108.800 -0.002 0.000 2.175 119 G HA2 -0.405 3.556 3.960 0.001 0.000 0.265 119 G HA3 -0.405 3.556 3.960 0.001 0.000 0.265 119 G C 0.361 175.253 174.900 -0.014 0.000 0.979 119 G CA 0.800 45.894 45.100 -0.011 0.000 0.663 119 G HN 0.570 nan 8.290 nan 0.000 0.533 120 R N -0.044 120.451 120.500 -0.009 0.000 2.589 120 R HA 0.553 4.893 4.340 0.001 0.000 0.293 120 R C -0.383 175.905 176.300 -0.021 0.000 0.963 120 R CA -0.476 55.618 56.100 -0.009 0.000 0.905 120 R CB 1.284 31.585 30.300 0.003 0.000 1.144 120 R HN 0.102 nan 8.270 nan 0.000 0.459 121 T N 3.974 118.513 114.554 -0.026 0.000 2.737 121 T HA 0.166 4.517 4.350 0.001 0.000 0.296 121 T C 1.343 176.011 174.700 -0.053 0.000 0.922 121 T CA -0.148 61.925 62.100 -0.045 0.000 1.079 121 T CB 0.452 69.300 68.868 -0.034 0.000 0.892 121 T HN 0.389 nan 8.240 nan 0.000 0.514 122 L N 1.905 123.058 121.223 -0.116 0.000 2.416 122 L HA 0.477 4.817 4.340 0.001 0.000 0.216 122 L C 1.120 177.781 176.870 -0.348 0.000 1.098 122 L CA 0.009 54.752 54.840 -0.161 0.000 0.840 122 L CB -0.036 41.918 42.059 -0.174 0.000 0.981 122 L HN 0.640 nan 8.230 nan 0.000 0.462 123 A N -0.150 122.455 122.820 -0.359 0.000 2.605 123 A HA 0.838 5.158 4.320 0.001 0.000 0.294 123 A C -1.636 175.926 177.584 -0.037 0.000 1.062 123 A CA 0.033 51.912 52.037 -0.263 0.000 0.682 123 A CB 1.454 20.054 19.000 -0.667 0.000 1.278 123 A HN 0.008 nan 8.150 nan 0.000 0.410 124 A N 0.468 123.378 122.820 0.150 0.000 2.577 124 A HA 0.773 5.094 4.320 0.001 0.000 0.297 124 A C -0.174 177.426 177.584 0.028 0.000 1.060 124 A CA 0.157 52.239 52.037 0.075 0.000 0.697 124 A CB 0.564 19.577 19.000 0.022 0.000 1.281 124 A HN 2.215 nan 8.150 nan 0.000 0.402 125 T N 0.482 114.760 114.554 -0.460 0.000 2.888 125 T HA 0.513 4.864 4.350 0.001 0.000 0.301 125 T C -0.289 174.091 174.700 -0.535 0.000 1.001 125 T CA 0.626 62.029 62.100 -1.162 0.000 1.147 125 T CB 0.228 68.389 68.868 -1.178 0.000 0.931 125 T HN 1.249 nan 8.240 nan 0.000 0.541 126 D N 1.451 121.606 120.400 -0.408 0.000 2.809 126 D HA 0.369 5.009 4.640 0.001 0.000 0.336 126 D C 0.939 177.306 176.300 0.112 0.000 1.367 126 D CA -0.348 53.621 54.000 -0.052 0.000 0.815 126 D CB 0.531 41.358 40.800 0.045 0.000 1.381 126 D HN 0.537 nan 8.370 nan 0.000 0.471 127 A N -0.230 122.670 122.820 0.134 0.000 2.139 127 A HA 0.158 4.478 4.320 0.001 0.000 0.221 127 A C 1.989 179.707 177.584 0.223 0.000 1.159 127 A CA 2.568 54.706 52.037 0.169 0.000 0.662 127 A CB -1.169 17.906 19.000 0.126 0.000 0.796 127 A HN 0.865 nan 8.150 nan 0.000 0.463 128 A N -1.545 121.439 122.820 0.274 0.000 2.066 128 A HA 0.144 4.465 4.320 0.001 0.000 0.218 128 A C 0.641 178.433 177.584 0.347 0.000 1.157 128 A CA 0.100 52.301 52.037 0.274 0.000 0.670 128 A CB -0.358 18.794 19.000 0.252 0.000 0.804 128 A HN 0.583 nan 8.150 nan 0.000 0.453 129 W N 0.754 122.135 121.300 0.135 0.000 2.126 129 W HA 0.429 5.089 4.660 0.001 0.000 0.346 129 W C 0.661 177.304 176.519 0.207 0.000 1.279 129 W CA -0.326 57.127 57.345 0.180 0.000 1.259 129 W CB 0.423 30.017 29.460 0.222 0.000 1.133 129 W HN 0.062 nan 8.180 nan 0.000 0.592 130 R N 1.080 121.839 120.500 0.430 0.000 2.598 130 R HA 0.653 4.993 4.340 0.001 0.000 0.279 130 R C -0.486 176.095 176.300 0.468 0.000 0.984 130 R CA -0.725 55.620 56.100 0.408 0.000 0.999 130 R CB 1.636 32.153 30.300 0.362 0.000 1.114 130 R HN 0.427 nan 8.270 nan 0.000 0.493 131 T N 0.566 115.279 114.554 0.265 0.000 2.942 131 T HA 0.411 4.761 4.350 0.001 0.000 0.327 131 T C -1.678 172.686 174.700 -0.561 0.000 1.360 131 T CA -0.589 61.364 62.100 -0.244 0.000 1.055 131 T CB 1.325 69.823 68.868 -0.616 0.000 1.261 131 T HN 0.443 nan 8.240 nan 0.000 0.485 132 E N 1.998 121.612 120.200 -0.976 0.000 2.390 132 E HA 0.328 4.678 4.350 0.001 0.000 0.280 132 E C -0.768 175.317 176.600 -0.859 0.000 0.992 132 E CA -0.846 54.947 56.400 -1.012 0.000 0.790 132 E CB 1.993 30.749 29.700 -1.572 0.000 1.248 132 E HN 0.636 nan 8.360 nan 0.000 0.447 133 R N 0.605 120.741 120.500 -0.607 0.000 2.694 133 R HA 0.155 4.496 4.340 0.001 0.000 0.268 133 R C 0.323 176.353 176.300 -0.450 0.000 1.061 133 R CA -0.640 55.194 56.100 -0.443 0.000 1.133 133 R CB 0.348 30.476 30.300 -0.286 0.000 1.020 133 R HN 0.260 nan 8.270 nan 0.000 0.475 134 L N 2.040 123.062 121.223 -0.335 0.000 2.477 134 L HA 0.103 4.443 4.340 0.001 0.000 0.272 134 L C 0.399 177.141 176.870 -0.214 0.000 1.157 134 L CA 0.602 55.251 54.840 -0.318 0.000 0.889 134 L CB 0.459 42.459 42.059 -0.099 0.000 1.158 134 L HN 0.688 nan 8.230 nan 0.000 0.473 135 G N 3.530 112.203 108.800 -0.211 0.000 2.305 135 G HA2 0.398 4.358 3.960 0.001 0.000 0.243 135 G HA3 0.398 4.358 3.960 0.001 0.000 0.243 135 G C 0.934 175.775 174.900 -0.098 0.000 1.288 135 G CA 0.126 45.145 45.100 -0.134 0.000 0.901 135 G HN 1.635 nan 8.290 nan 0.000 0.516 136 G N 0.668 109.403 108.800 -0.108 0.000 2.234 136 G HA2 -0.292 3.668 3.960 0.001 0.000 0.260 136 G HA3 -0.292 3.668 3.960 0.001 0.000 0.260 136 G C 0.696 175.508 174.900 -0.146 0.000 0.987 136 G CA 0.570 45.599 45.100 -0.118 0.000 0.625 136 G HN 0.944 nan 8.290 nan 0.000 0.532 137 Q N 1.294 120.999 119.800 -0.158 0.000 2.307 137 Q HA 0.253 4.593 4.340 0.001 0.000 0.261 137 Q C 0.001 175.849 176.000 -0.254 0.000 1.051 137 Q CA -0.332 55.323 55.803 -0.248 0.000 0.911 137 Q CB 0.275 28.850 28.738 -0.272 0.000 1.227 137 Q HN 0.309 nan 8.270 nan 0.000 0.418 138 R N 3.062 123.413 120.500 -0.249 0.000 2.248 138 R HA 0.123 4.463 4.340 0.001 0.000 0.328 138 R C 0.670 176.831 176.300 -0.233 0.000 1.067 138 R CA -0.131 55.852 56.100 -0.194 0.000 0.924 138 R CB 0.400 30.613 30.300 -0.145 0.000 1.013 138 R HN 0.536 nan 8.270 nan 0.000 0.454 139 S N 1.899 117.483 115.700 -0.192 0.000 2.603 139 S HA -0.087 4.384 4.470 0.001 0.000 0.229 139 S C 1.086 175.582 174.600 -0.173 0.000 0.972 139 S CA 0.724 58.799 58.200 -0.208 0.000 0.935 139 S CB -0.262 62.857 63.200 -0.134 0.000 0.769 139 S HN 0.714 nan 8.310 nan 0.000 0.536 140 N N 0.570 119.203 118.700 -0.112 0.000 2.235 140 N HA 0.054 4.795 4.740 0.001 0.000 0.209 140 N C 0.317 175.803 175.510 -0.040 0.000 1.122 140 N CA -0.221 52.802 53.050 -0.046 0.000 0.845 140 N CB 0.274 38.763 38.487 0.005 0.000 1.004 140 N HN 0.163 nan 8.380 nan 0.000 0.499 141 S N 0.430 116.085 115.700 -0.074 0.000 2.576 141 S HA 0.203 4.674 4.470 0.001 0.000 0.272 141 S C -2.388 172.273 174.600 0.101 0.000 1.352 141 S CA -1.059 57.132 58.200 -0.015 0.000 1.021 141 S CB 0.243 63.421 63.200 -0.037 0.000 0.887 141 S HN 0.028 nan 8.310 nan 0.000 0.542 142 P HA 0.202 nan 4.420 nan 0.000 0.266 142 P C -0.331 177.099 177.300 0.218 0.000 1.195 142 P CA -0.218 62.952 63.100 0.116 0.000 0.768 142 P CB 0.315 32.050 31.700 0.058 0.000 0.838 143 R N 3.347 123.920 120.500 0.122 0.000 2.442 143 R HA 0.173 4.514 4.340 0.001 0.000 0.291 143 R C 1.311 177.505 176.300 -0.177 0.000 1.069 143 R CA 0.404 56.402 56.100 -0.171 0.000 1.022 143 R CB -0.278 29.891 30.300 -0.218 0.000 0.976 143 R HN 0.509 nan 8.270 nan 0.000 0.443 144 M N 2.547 121.993 119.600 -0.257 0.000 2.077 144 M HA 0.056 4.537 4.480 0.001 0.000 0.261 144 M C -0.180 176.009 176.300 -0.184 0.000 1.070 144 M CA 2.153 57.363 55.300 -0.150 0.000 1.125 144 M CB 0.147 32.682 32.600 -0.108 0.000 1.339 144 M HN 0.693 nan 8.290 nan 0.000 0.409 145 A N -2.200 120.461 122.820 -0.264 0.000 2.586 145 A HA 0.315 4.636 4.320 0.001 0.000 0.291 145 A C 0.608 177.976 177.584 -0.359 0.000 1.062 145 A CA -0.309 51.577 52.037 -0.252 0.000 0.666 145 A CB -0.428 18.452 19.000 -0.201 0.000 1.281 145 A HN 0.635 nan 8.150 nan 0.000 0.421 146 C N -1.234 117.847 119.300 -0.366 0.000 2.410 146 C HA -0.037 4.423 4.460 0.001 0.000 0.281 146 C C 1.767 176.287 174.990 -0.782 0.000 1.318 146 C CA 1.708 60.453 59.018 -0.455 0.000 1.776 146 C CB -1.616 25.864 27.740 -0.435 0.000 1.942 146 C HN 0.814 nan 8.230 nan 0.000 0.508 147 Q N 0.600 119.814 119.800 -0.977 0.000 2.354 147 Q HA 0.185 4.526 4.340 0.001 0.000 0.203 147 Q C 1.446 176.952 176.000 -0.823 0.000 0.933 147 Q CA 0.789 55.823 55.803 -1.282 0.000 0.901 147 Q CB 0.000 28.136 28.738 -1.004 0.000 1.007 147 Q HN 0.805 nan 8.270 nan 0.000 0.495 148 Q N -1.233 118.196 119.800 -0.618 0.000 3.184 148 Q HA 0.556 4.896 4.340 0.001 0.000 0.236 148 Q C 0.476 176.071 176.000 -0.674 0.000 1.038 148 Q CA -0.446 55.010 55.803 -0.579 0.000 0.857 148 Q CB 0.295 28.935 28.738 -0.163 0.000 1.957 148 Q HN 0.185 nan 8.270 nan 0.000 0.453 149 G N 0.088 108.531 108.800 -0.595 0.000 3.311 149 G HA2 0.408 4.369 3.960 0.001 0.000 0.169 149 G HA3 0.408 4.369 3.960 0.001 0.000 0.169 149 G C -0.769 173.685 174.900 -0.744 0.000 1.852 149 G CA -0.142 44.420 45.100 -0.898 0.000 1.010 149 G HN 0.300 nan 8.290 nan 0.000 0.530 150 F N -0.674 119.280 119.950 0.007 0.000 2.576 150 F HA 0.583 5.111 4.527 0.001 0.000 0.313 150 F C 0.583 176.492 175.800 0.183 0.000 1.078 150 F CA -0.745 57.310 58.000 0.092 0.000 0.921 150 F CB 2.228 41.303 39.000 0.125 0.000 1.232 150 F HN 0.488 nan 8.300 nan 0.000 0.459 151 G N 1.902 110.887 108.800 0.309 0.000 2.339 151 G HA2 0.435 4.395 3.960 0.001 0.000 0.287 151 G HA3 0.435 4.395 3.960 0.001 0.000 0.287 151 G C -0.600 174.461 174.900 0.268 0.000 1.163 151 G CA -0.467 44.809 45.100 0.293 0.000 0.872 151 G HN 0.585 nan 8.290 nan 0.000 0.464 152 E N 1.287 121.662 120.200 0.291 0.000 2.349 152 E HA 0.385 4.735 4.350 0.001 0.000 0.262 152 E C -1.149 175.505 176.600 0.089 0.000 1.088 152 E CA -0.599 55.843 56.400 0.069 0.000 0.899 152 E CB 1.797 31.428 29.700 -0.115 0.000 1.044 152 E HN 0.107 nan 8.360 nan 0.000 0.420 153 V N 3.106 122.980 119.914 -0.067 0.000 2.447 153 V HA 0.283 4.404 4.120 0.001 0.000 0.292 153 V C -0.630 175.383 176.094 -0.136 0.000 1.021 153 V CA -0.778 61.498 62.300 -0.039 0.000 0.850 153 V CB 1.306 33.096 31.823 -0.055 0.000 1.005 153 V HN 0.562 nan 8.190 nan 0.000 0.426 154 I N 3.599 124.091 120.570 -0.130 0.000 2.418 154 I HA 0.434 4.605 4.170 0.001 0.000 0.287 154 I C -0.498 175.442 176.117 -0.295 0.000 1.008 154 I CA -0.385 60.791 61.300 -0.208 0.000 1.104 154 I CB 1.942 39.811 38.000 -0.219 0.000 1.264 154 I HN 0.543 nan 8.210 nan 0.000 0.438 155 D N 5.486 125.740 120.400 -0.244 0.000 2.467 155 D HA 0.408 5.048 4.640 0.001 0.000 0.220 155 D C 0.955 177.104 176.300 -0.252 0.000 1.103 155 D CA -0.286 53.562 54.000 -0.253 0.000 0.886 155 D CB 1.716 42.422 40.800 -0.158 0.000 1.025 155 D HN 0.645 nan 8.370 nan 0.000 0.514 156 A N 4.527 127.109 122.820 -0.396 0.000 2.125 156 A HA -0.165 4.155 4.320 0.001 0.000 0.219 156 A C 1.994 179.522 177.584 -0.094 0.000 1.156 156 A CA 0.901 52.793 52.037 -0.243 0.000 0.671 156 A CB -0.174 18.636 19.000 -0.316 0.000 0.794 156 A HN 0.591 nan 8.150 nan 0.000 0.459 157 R N -0.292 120.147 120.500 -0.101 0.000 2.189 157 R HA -0.084 4.256 4.340 0.001 0.000 0.223 157 R C 0.888 177.173 176.300 -0.024 0.000 1.092 157 R CA 1.412 57.486 56.100 -0.043 0.000 0.989 157 R CB -0.084 30.188 30.300 -0.046 0.000 0.876 157 R HN 0.666 nan 8.270 nan 0.000 0.457 158 E N 0.034 120.209 120.200 -0.042 0.000 2.538 158 E HA 0.111 4.461 4.350 0.001 0.000 0.207 158 E C -0.299 176.292 176.600 -0.014 0.000 1.002 158 E CA -0.211 56.171 56.400 -0.029 0.000 0.952 158 E CB 0.660 30.328 29.700 -0.055 0.000 1.031 158 E HN 0.028 nan 8.360 nan 0.000 0.476 159 L N 1.523 122.749 121.223 0.005 0.000 2.295 159 L HA 0.516 4.857 4.340 0.001 0.000 0.285 159 L C -0.554 176.387 176.870 0.118 0.000 1.035 159 L CA -0.357 54.509 54.840 0.044 0.000 0.806 159 L CB 1.053 43.146 42.059 0.058 0.000 1.214 159 L HN -0.088 nan 8.230 nan 0.000 0.426 160 A N 5.001 127.920 122.820 0.165 0.000 2.671 160 A HA 0.225 4.546 4.320 0.001 0.000 0.306 160 A C 1.282 179.026 177.584 0.266 0.000 1.473 160 A CA -0.168 52.026 52.037 0.261 0.000 1.155 160 A CB -0.395 18.845 19.000 0.400 0.000 1.123 160 A HN 0.892 nan 8.150 nan 0.000 0.545 161 E N 1.591 121.917 120.200 0.211 0.000 2.114 161 E HA -0.251 4.099 4.350 0.001 0.000 0.199 161 E C -0.303 176.314 176.600 0.028 0.000 1.008 161 E CA 1.689 58.186 56.400 0.162 0.000 0.810 161 E CB -0.202 29.573 29.700 0.126 0.000 0.739 161 E HN 0.594 nan 8.360 nan 0.000 0.456 162 D N 0.664 121.071 120.400 0.013 0.000 2.395 162 D HA -0.022 4.619 4.640 0.001 0.000 0.226 162 D C 1.194 177.198 176.300 -0.495 0.000 1.146 162 D CA 0.015 53.932 54.000 -0.138 0.000 0.830 162 D CB -0.547 40.297 40.800 0.075 0.000 0.958 162 D HN 0.530 nan 8.370 nan 0.000 0.501 163 W N 0.846 121.665 121.300 -0.802 0.000 2.387 163 W HA -0.055 4.605 4.660 0.001 0.000 0.272 163 W C 0.843 176.865 176.519 -0.829 0.000 1.224 163 W CA 0.858 57.361 57.345 -1.402 0.000 1.210 163 W CB -0.668 28.418 29.460 -0.623 0.000 1.125 163 W HN 0.011 nan 8.180 nan 0.000 0.572 164 A N 1.003 122.954 122.820 -1.449 0.000 2.308 164 A HA 0.287 4.608 4.320 0.001 0.000 0.217 164 A C 1.015 178.193 177.584 -0.677 0.000 1.216 164 A CA -0.226 51.003 52.037 -1.346 0.000 0.864 164 A CB -0.478 17.185 19.000 -2.229 0.000 0.902 164 A HN 0.181 nan 8.150 nan 0.000 0.499 165 L N -0.242 120.697 121.223 -0.473 0.000 2.417 165 L HA 0.191 4.532 4.340 0.001 0.000 0.268 165 L C -1.513 175.275 176.870 -0.138 0.000 1.158 165 L CA -1.778 52.917 54.840 -0.241 0.000 0.819 165 L CB 0.681 42.650 42.059 -0.150 0.000 1.112 165 L HN 0.020 nan 8.230 nan 0.000 0.458 166 P HA -0.177 nan 4.420 nan 0.000 0.216 166 P C 0.915 178.164 177.300 -0.085 0.000 1.150 166 P CA 1.270 64.304 63.100 -0.109 0.000 0.843 166 P CB 0.262 31.895 31.700 -0.112 0.000 0.787 167 A N -2.132 120.650 122.820 -0.062 0.000 2.251 167 A HA 0.061 4.381 4.320 0.001 0.000 0.209 167 A C 0.652 178.206 177.584 -0.050 0.000 1.187 167 A CA -0.399 51.600 52.037 -0.063 0.000 0.823 167 A CB -1.451 17.514 19.000 -0.059 0.000 0.846 167 A HN 0.141 nan 8.150 nan 0.000 0.486 168 F N 1.114 120.963 119.950 -0.168 0.000 2.529 168 F HA 0.257 4.785 4.527 0.001 0.000 0.365 168 F C 0.243 175.916 175.800 -0.211 0.000 1.102 168 F CA -0.511 57.383 58.000 -0.177 0.000 1.271 168 F CB 0.480 39.357 39.000 -0.205 0.000 1.120 168 F HN 0.181 nan 8.300 nan 0.000 0.579 169 D N 4.769 124.558 120.400 -1.019 0.000 2.411 169 D HA 0.103 4.744 4.640 0.001 0.000 0.225 169 D C -0.273 175.476 176.300 -0.918 0.000 1.156 169 D CA -0.500 53.054 54.000 -0.743 0.000 0.874 169 D CB 0.397 40.890 40.800 -0.511 0.000 1.034 169 D HN 0.520 nan 8.370 nan 0.000 0.502 170 D N 1.737 121.777 120.400 -0.601 0.000 2.463 170 D HA 0.136 4.777 4.640 0.001 0.000 0.224 170 D C 1.723 177.854 176.300 -0.280 0.000 1.174 170 D CA -0.441 53.143 54.000 -0.694 0.000 0.829 170 D CB -0.004 40.239 40.800 -0.927 0.000 0.993 170 D HN 0.451 nan 8.370 nan 0.000 0.497 171 G N 0.764 109.451 108.800 -0.188 0.000 2.450 171 G HA2 -0.191 3.770 3.960 0.001 0.000 0.220 171 G HA3 -0.191 3.770 3.960 0.001 0.000 0.220 171 G C 1.402 176.325 174.900 0.038 0.000 1.130 171 G CA 0.600 45.662 45.100 -0.064 0.000 0.760 171 G HN 0.458 nan 8.290 nan 0.000 0.557 172 G N -1.098 107.760 108.800 0.096 0.000 2.985 172 G HA2 0.197 4.158 3.960 0.001 0.000 0.209 172 G HA3 0.197 4.158 3.960 0.001 0.000 0.209 172 G C -0.035 175.052 174.900 0.311 0.000 1.165 172 G CA -0.719 44.484 45.100 0.172 0.000 0.776 172 G HN 0.197 nan 8.290 nan 0.000 0.541 173 W N 0.759 122.068 121.300 0.015 0.000 2.261 173 W HA 0.676 5.336 4.660 0.001 0.000 0.323 173 W C 0.593 177.114 176.519 0.003 0.000 1.243 173 W CA -1.594 55.759 57.345 0.013 0.000 1.210 173 W CB 0.731 30.216 29.460 0.042 0.000 1.149 173 W HN 0.137 nan 8.180 nan 0.000 0.562 174 A N 3.258 126.160 122.820 0.137 0.000 2.386 174 A HA 0.284 4.604 4.320 0.001 0.000 0.246 174 A C 0.239 177.898 177.584 0.124 0.000 1.089 174 A CA -0.381 51.703 52.037 0.077 0.000 0.790 174 A CB 0.223 19.214 19.000 -0.016 0.000 1.042 174 A HN 0.559 nan 8.150 nan 0.000 0.497 175 Q N -0.068 119.800 119.800 0.113 0.000 2.299 175 Q HA 0.495 4.835 4.340 0.001 0.000 0.246 175 Q C 0.350 176.436 176.000 0.144 0.000 0.935 175 Q CA 0.070 55.964 55.803 0.151 0.000 0.887 175 Q CB 1.338 30.155 28.738 0.133 0.000 1.223 175 Q HN 0.815 nan 8.270 nan 0.000 0.439 176 A N 2.576 125.525 122.820 0.216 0.000 2.366 176 A HA 0.388 4.709 4.320 0.001 0.000 0.249 176 A C -0.177 177.519 177.584 0.186 0.000 1.084 176 A CA -0.274 51.903 52.037 0.232 0.000 0.794 176 A CB 0.410 19.639 19.000 0.381 0.000 1.034 176 A HN 0.624 nan 8.150 nan 0.000 0.491 177 R N 1.167 121.779 120.500 0.186 0.000 2.338 177 R HA 0.418 4.758 4.340 0.001 0.000 0.317 177 R C -0.189 176.219 176.300 0.180 0.000 0.968 177 R CA -0.290 55.908 56.100 0.163 0.000 0.849 177 R CB 1.615 32.008 30.300 0.155 0.000 1.128 177 R HN 0.683 nan 8.270 nan 0.000 0.448 178 S N 2.410 118.193 115.700 0.139 0.000 2.549 178 S HA 0.167 4.637 4.470 0.001 0.000 0.279 178 S C 1.132 175.820 174.600 0.147 0.000 1.321 178 S CA -0.415 57.862 58.200 0.128 0.000 1.054 178 S CB 0.430 63.687 63.200 0.094 0.000 0.899 178 S HN 0.607 nan 8.310 nan 0.000 0.497 179 I N 3.382 124.060 120.570 0.179 0.000 3.526 179 I HA 0.369 4.539 4.170 0.001 0.000 0.294 179 I C 1.189 177.394 176.117 0.146 0.000 1.229 179 I CA 0.359 61.763 61.300 0.173 0.000 1.408 179 I CB 0.194 38.332 38.000 0.230 0.000 1.127 179 I HN 0.820 nan 8.210 nan 0.000 0.439 180 G N 1.152 110.055 108.800 0.172 0.000 2.361 180 G HA2 0.096 4.056 3.960 0.001 0.000 0.305 180 G HA3 0.096 4.056 3.960 0.001 0.000 0.305 180 G C -3.127 171.883 174.900 0.183 0.000 1.367 180 G CA -0.871 44.316 45.100 0.145 0.000 0.951 180 G HN -0.252 nan 8.290 nan 0.000 0.615 181 P HA 0.497 nan 4.420 nan 0.000 0.289 181 P C 0.291 177.684 177.300 0.156 0.000 1.299 181 P CA 0.362 63.525 63.100 0.104 0.000 0.766 181 P CB 0.641 32.386 31.700 0.076 0.000 1.226 182 A N -0.706 122.125 122.820 0.018 0.000 2.520 182 A HA 0.442 4.763 4.320 0.001 0.000 0.245 182 A C 1.298 178.935 177.584 0.088 0.000 1.072 182 A CA 0.811 52.812 52.037 -0.060 0.000 0.761 182 A CB -1.561 17.185 19.000 -0.423 0.000 1.004 182 A HN 0.865 nan 8.150 nan 0.000 0.499 183 G N 1.877 110.780 108.800 0.173 0.000 2.231 183 G HA2 -0.168 3.793 3.960 0.001 0.000 0.206 183 G HA3 -0.168 3.793 3.960 0.001 0.000 0.206 183 G C 0.430 175.391 174.900 0.102 0.000 0.996 183 G CA 0.157 45.333 45.100 0.127 0.000 0.645 183 G HN 1.098 nan 8.290 nan 0.000 0.498 184 T N 2.153 116.786 114.554 0.132 0.000 2.919 184 T HA 0.558 4.908 4.350 0.001 0.000 0.302 184 T C 1.011 175.659 174.700 -0.087 0.000 1.031 184 T CA 0.528 62.651 62.100 0.039 0.000 1.127 184 T CB 1.406 70.321 68.868 0.078 0.000 0.952 184 T HN 1.388 nan 8.240 nan 0.000 0.540 185 A N 4.991 127.694 122.820 -0.195 0.000 2.507 185 A HA 0.296 4.617 4.320 0.001 0.000 0.235 185 A C -0.773 176.327 177.584 -0.806 0.000 1.070 185 A CA -0.968 50.842 52.037 -0.378 0.000 0.768 185 A CB -0.093 18.737 19.000 -0.285 0.000 1.011 185 A HN 0.665 nan 8.150 nan 0.000 0.502 186 P HA 0.041 nan 4.420 nan 0.000 0.255 186 P C -0.300 176.592 177.300 -0.680 0.000 1.248 186 P CA 0.310 62.898 63.100 -0.854 0.000 0.807 186 P CB 0.197 31.408 31.700 -0.815 0.000 1.150 187 W N 1.869 123.027 121.300 -0.236 0.000 1.518 187 W HA 0.152 4.812 4.660 0.001 0.000 0.426 187 W C 0.670 177.158 176.519 -0.052 0.000 0.675 187 W CA -0.295 56.976 57.345 -0.124 0.000 1.936 187 W CB -1.254 28.120 29.460 -0.144 0.000 1.749 187 W HN -0.074 nan 8.180 nan 0.000 0.247 188 T N 0.638 115.223 114.554 0.052 0.000 2.684 188 T HA -0.228 4.123 4.350 0.001 0.000 0.267 188 T C 1.102 175.857 174.700 0.092 0.000 1.032 188 T CA 2.230 64.354 62.100 0.040 0.000 1.155 188 T CB -0.125 68.745 68.868 0.002 0.000 0.857 188 T HN 0.353 nan 8.240 nan 0.000 0.457 189 S N -0.210 115.565 115.700 0.125 0.000 2.546 189 S HA 0.647 5.117 4.470 0.001 0.000 0.274 189 S C -1.230 173.474 174.600 0.172 0.000 1.121 189 S CA -1.222 57.056 58.200 0.131 0.000 0.887 189 S CB 1.621 64.874 63.200 0.088 0.000 1.094 189 S HN 0.249 nan 8.310 nan 0.000 0.474 190 L N 2.775 124.121 121.223 0.204 0.000 2.280 190 L HA 0.717 5.057 4.340 0.001 0.000 0.287 190 L C -0.447 176.691 176.870 0.447 0.000 1.023 190 L CA -0.980 54.044 54.840 0.306 0.000 0.819 190 L CB 1.520 43.680 42.059 0.169 0.000 1.212 190 L HN 0.640 nan 8.230 nan 0.000 0.420 191 V N 6.007 126.086 119.914 0.275 0.000 2.581 191 V HA 0.606 4.726 4.120 0.001 0.000 0.303 191 V C -2.128 173.870 176.094 -0.161 0.000 1.041 191 V CA -2.227 60.123 62.300 0.084 0.000 0.907 191 V CB 2.560 34.244 31.823 -0.231 0.000 0.994 191 V HN 0.521 nan 8.190 nan 0.000 0.442 192 P HA 0.080 nan 4.420 nan 0.000 0.267 192 P C -0.449 176.799 177.300 -0.087 0.000 1.205 192 P CA -0.248 62.450 63.100 -0.671 0.000 0.765 192 P CB 0.391 31.886 31.700 -0.340 0.000 0.828 193 R N 3.485 123.901 120.500 -0.139 0.000 2.481 193 R HA -0.109 4.232 4.340 0.001 0.000 0.291 193 R C 0.399 176.615 176.300 -0.139 0.000 0.934 193 R CA 0.567 56.610 56.100 -0.095 0.000 1.116 193 R CB 0.046 30.206 30.300 -0.233 0.000 0.895 193 R HN 0.458 nan 8.270 nan 0.000 0.410 194 D N 5.534 125.821 120.400 -0.189 0.000 2.460 194 D HA 0.126 4.766 4.640 0.001 0.000 0.229 194 D C 0.422 176.636 176.300 -0.144 0.000 1.170 194 D CA -0.102 53.836 54.000 -0.104 0.000 0.827 194 D CB -0.454 40.354 40.800 0.013 0.000 0.973 194 D HN 0.506 nan 8.370 nan 0.000 0.496 195 I N -5.387 115.056 120.570 -0.211 0.000 3.004 195 I HA 0.546 4.716 4.170 0.001 0.000 0.305 195 I C -2.971 172.954 176.117 -0.319 0.000 1.312 195 I CA -2.485 58.717 61.300 -0.163 0.000 0.992 195 I CB 2.315 40.288 38.000 -0.045 0.000 1.282 195 I HN -0.387 nan 8.210 nan 0.000 0.449 196 P HA 0.225 nan 4.420 nan 0.000 0.275 196 P C -0.823 176.173 177.300 -0.506 0.000 1.270 196 P CA 0.072 62.901 63.100 -0.451 0.000 0.791 196 P CB 0.388 31.887 31.700 -0.335 0.000 1.089 197 F N -1.161 118.642 119.950 -0.245 0.000 2.406 197 F HA 0.206 4.733 4.527 0.001 0.000 0.327 197 F C 1.239 176.893 175.800 -0.242 0.000 1.153 197 F CA -0.217 57.657 58.000 -0.209 0.000 1.218 197 F CB -0.251 38.665 39.000 -0.140 0.000 1.215 197 F HN 0.015 nan 8.300 nan 0.000 0.570 198 L N 0.912 122.168 121.223 0.055 0.000 2.466 198 L HA 0.290 4.630 4.340 0.001 0.000 0.257 198 L C 0.766 177.624 176.870 -0.020 0.000 1.189 198 L CA -0.698 54.112 54.840 -0.049 0.000 0.813 198 L CB 0.535 42.592 42.059 -0.003 0.000 1.118 198 L HN 0.721 nan 8.230 nan 0.000 0.471 199 T N -1.459 113.066 114.554 -0.047 0.000 2.788 199 T HA 0.353 4.704 4.350 0.001 0.000 0.280 199 T C -0.329 174.380 174.700 0.015 0.000 0.984 199 T CA -0.630 61.455 62.100 -0.026 0.000 0.972 199 T CB 1.698 70.541 68.868 -0.041 0.000 1.039 199 T HN 0.712 nan 8.240 nan 0.000 0.530 200 E N 0.439 120.651 120.200 0.019 0.000 2.565 200 E HA 0.223 4.574 4.350 0.001 0.000 0.343 200 E C -1.363 175.255 176.600 0.030 0.000 0.968 200 E CA -0.479 55.954 56.400 0.054 0.000 0.773 200 E CB 0.669 30.403 29.700 0.057 0.000 1.513 200 E HN 0.857 nan 8.360 nan 0.000 0.384 201 E N 4.046 124.266 120.200 0.034 0.000 2.224 201 E HA 0.338 4.689 4.350 0.001 0.000 0.265 201 E C -0.867 175.747 176.600 0.024 0.000 0.878 201 E CA -1.139 55.273 56.400 0.020 0.000 0.759 201 E CB 1.973 31.684 29.700 0.018 0.000 1.164 201 E HN 0.133 nan 8.360 nan 0.000 0.414 202 K N 4.754 125.147 120.400 -0.012 0.000 2.378 202 K HA 0.187 4.508 4.320 0.001 0.000 0.288 202 K C -1.001 175.569 176.600 -0.050 0.000 1.057 202 K CA -0.149 56.092 56.287 -0.077 0.000 0.971 202 K CB 0.358 32.716 32.500 -0.238 0.000 0.975 202 K HN 0.559 nan 8.250 nan 0.000 0.475 203 L N 5.459 126.667 121.223 -0.024 0.000 2.362 203 L HA 0.375 4.716 4.340 0.001 0.000 0.275 203 L C -0.806 176.069 176.870 0.010 0.000 0.998 203 L CA -1.194 53.671 54.840 0.041 0.000 0.820 203 L CB 1.138 43.233 42.059 0.059 0.000 1.270 203 L HN 0.554 nan 8.230 nan 0.000 0.415 204 Y N 2.329 122.686 120.300 0.095 0.000 2.316 204 Y HA 0.358 4.908 4.550 0.001 0.000 0.324 204 Y C -1.792 174.168 175.900 0.100 0.000 1.267 204 Y CA -1.743 56.433 58.100 0.127 0.000 1.311 204 Y CB 0.341 38.854 38.460 0.087 0.000 1.267 204 Y HN 0.384 nan 8.280 nan 0.000 0.516 205 P HA 0.122 nan 4.420 nan 0.000 0.273 205 P C -0.409 176.967 177.300 0.127 0.000 1.250 205 P CA 0.179 63.369 63.100 0.151 0.000 0.793 205 P CB 0.891 32.679 31.700 0.147 0.000 1.011 206 A N 0.337 123.201 122.820 0.074 0.000 1.943 206 A HA 0.241 4.561 4.320 0.001 0.000 0.213 206 A C 0.726 178.343 177.584 0.055 0.000 1.181 206 A CA 1.560 53.630 52.037 0.056 0.000 0.653 206 A CB -0.536 18.482 19.000 0.029 0.000 0.833 206 A HN 0.626 nan 8.150 nan 0.000 0.451 207 S N -2.167 113.566 115.700 0.054 0.000 2.636 207 S HA 0.642 5.113 4.470 0.001 0.000 0.268 207 S C -1.176 173.453 174.600 0.048 0.000 1.159 207 S CA -0.695 57.535 58.200 0.050 0.000 0.815 207 S CB 0.546 63.773 63.200 0.045 0.000 1.130 207 S HN 0.231 nan 8.310 nan 0.000 0.471 208 I N 1.865 122.457 120.570 0.037 0.000 2.355 208 I HA 0.349 4.519 4.170 0.001 0.000 0.288 208 I C 1.357 177.482 176.117 0.013 0.000 0.999 208 I CA -0.471 60.843 61.300 0.022 0.000 1.163 208 I CB 1.722 39.734 38.000 0.019 0.000 1.316 208 I HN 0.907 nan 8.210 nan 0.000 0.454 209 Q N 4.771 124.570 119.800 -0.000 0.000 2.137 209 Q HA -0.043 4.298 4.340 0.001 0.000 0.198 209 Q C 0.264 176.243 176.000 -0.036 0.000 0.960 209 Q CA 0.916 56.711 55.803 -0.013 0.000 0.847 209 Q CB 0.482 29.204 28.738 -0.027 0.000 0.915 209 Q HN 0.823 nan 8.270 nan 0.000 0.448 210 S N -1.588 114.079 115.700 -0.055 0.000 2.615 210 S HA 0.529 5.000 4.470 0.001 0.000 0.268 210 S C -1.468 173.116 174.600 -0.026 0.000 1.146 210 S CA -1.100 57.076 58.200 -0.039 0.000 0.818 210 S CB 1.245 64.412 63.200 -0.056 0.000 1.111 210 S HN 0.237 nan 8.310 nan 0.000 0.465 211 L N 0.920 122.150 121.223 0.012 0.000 2.431 211 L HA 0.862 5.202 4.340 0.001 0.000 0.266 211 L C -1.350 175.561 176.870 0.069 0.000 0.978 211 L CA -0.017 54.856 54.840 0.054 0.000 0.822 211 L CB 2.055 44.164 42.059 0.083 0.000 1.310 211 L HN 0.971 nan 8.230 nan 0.000 0.409 212 S N 2.842 118.593 115.700 0.085 0.000 2.588 212 S HA 0.550 5.020 4.470 0.001 0.000 0.275 212 S C -1.257 173.320 174.600 -0.039 0.000 1.130 212 S CA -0.737 57.471 58.200 0.015 0.000 0.855 212 S CB 2.196 65.400 63.200 0.008 0.000 1.116 212 S HN 0.674 nan 8.310 nan 0.000 0.472 213 R N 1.797 122.104 120.500 -0.322 0.000 2.229 213 R HA 0.661 5.002 4.340 0.001 0.000 0.328 213 R C -0.612 175.536 176.300 -0.253 0.000 1.009 213 R CA -0.385 55.353 56.100 -0.604 0.000 0.864 213 R CB 0.310 29.900 30.300 -1.182 0.000 1.085 213 R HN 0.587 nan 8.270 nan 0.000 0.453 214 V N 0.179 120.019 119.914 -0.122 0.000 3.141 214 V HA 0.709 4.830 4.120 0.001 0.000 0.312 214 V C -1.244 174.804 176.094 -0.076 0.000 1.157 214 V CA -1.081 61.171 62.300 -0.081 0.000 1.041 214 V CB 2.409 34.213 31.823 -0.031 0.000 1.071 214 V HN 0.756 nan 8.190 nan 0.000 0.441 215 K N 0.936 121.277 120.400 -0.099 0.000 2.501 215 K HA 0.820 5.140 4.320 0.001 0.000 0.252 215 K C -0.597 175.894 176.600 -0.181 0.000 0.934 215 K CA -0.243 55.971 56.287 -0.121 0.000 0.797 215 K CB 2.410 34.836 32.500 -0.124 0.000 1.270 215 K HN 1.207 nan 8.250 nan 0.000 0.431 216 A N 3.030 125.735 122.820 -0.192 0.000 2.252 216 A HA 0.647 4.967 4.320 0.001 0.000 0.305 216 A C -2.448 174.925 177.584 -0.351 0.000 1.097 216 A CA -1.503 50.377 52.037 -0.263 0.000 0.849 216 A CB -0.084 18.793 19.000 -0.206 0.000 1.142 216 A HN 0.377 nan 8.150 nan 0.000 0.499 217 P HA 0.118 nan 4.420 nan 0.000 0.272 217 P C 0.362 177.496 177.300 -0.276 0.000 1.223 217 P CA -0.361 62.390 63.100 -0.582 0.000 0.784 217 P CB 0.514 31.752 31.700 -0.771 0.000 0.923 218 K N 1.029 121.337 120.400 -0.154 0.000 2.074 218 K HA -0.160 4.161 4.320 0.001 0.000 0.209 218 K C 0.565 177.192 176.600 0.045 0.000 1.048 218 K CA 1.897 58.172 56.287 -0.021 0.000 0.926 218 K CB -0.472 32.096 32.500 0.113 0.000 0.713 218 K HN 0.556 nan 8.250 nan 0.000 0.444 219 Y N -0.388 119.882 120.300 -0.050 0.000 2.361 219 Y HA 0.472 5.022 4.550 0.001 0.000 0.337 219 Y C -1.481 174.345 175.900 -0.123 0.000 0.965 219 Y CA -1.344 56.721 58.100 -0.059 0.000 1.091 219 Y CB 1.759 40.246 38.460 0.045 0.000 1.182 219 Y HN 0.028 nan 8.280 nan 0.000 0.450 220 A N 4.536 126.930 122.820 -0.710 0.000 2.429 220 A HA 0.909 5.230 4.320 0.001 0.000 0.289 220 A C -1.702 175.498 177.584 -0.639 0.000 1.043 220 A CA -0.033 51.668 52.037 -0.560 0.000 0.722 220 A CB 0.588 19.418 19.000 -0.284 0.000 1.243 220 A HN 1.294 nan 8.150 nan 0.000 0.415 221 A N 1.245 123.721 122.820 -0.572 0.000 2.435 221 A HA 0.934 5.255 4.320 0.001 0.000 0.304 221 A C -0.206 177.216 177.584 -0.270 0.000 1.064 221 A CA -0.027 51.714 52.037 -0.493 0.000 0.727 221 A CB 1.543 20.200 19.000 -0.572 0.000 1.284 221 A HN 2.376 nan 8.150 nan 0.000 0.415 222 A N 1.853 124.467 122.820 -0.344 0.000 2.287 222 A HA 0.706 5.026 4.320 0.001 0.000 0.317 222 A C -0.679 176.749 177.584 -0.260 0.000 1.220 222 A CA -0.381 51.440 52.037 -0.361 0.000 0.835 222 A CB 0.087 18.927 19.000 -0.267 0.000 1.180 222 A HN 0.910 nan 8.150 nan 0.000 0.500 223 L N 1.527 122.661 121.223 -0.149 0.000 2.346 223 L HA 0.491 4.832 4.340 0.001 0.000 0.276 223 L C -0.613 176.344 176.870 0.144 0.000 1.006 223 L CA -0.930 53.949 54.840 0.066 0.000 0.817 223 L CB 1.956 44.111 42.059 0.161 0.000 1.272 223 L HN 0.567 nan 8.230 nan 0.000 0.421 224 D N 2.997 123.550 120.400 0.255 0.000 2.524 224 D HA 0.249 4.889 4.640 0.001 0.000 0.222 224 D C 0.914 177.300 176.300 0.143 0.000 1.142 224 D CA -0.125 53.973 54.000 0.163 0.000 0.973 224 D CB 0.841 41.734 40.800 0.155 0.000 1.025 224 D HN 0.539 nan 8.370 nan 0.000 0.519 225 L N 2.056 123.350 121.223 0.118 0.000 2.131 225 L HA -0.087 4.253 4.340 0.001 0.000 0.210 225 L C 2.568 179.288 176.870 -0.250 0.000 1.092 225 L CA 0.597 55.402 54.840 -0.058 0.000 0.759 225 L CB -0.196 41.870 42.059 0.011 0.000 0.903 225 L HN 0.303 nan 8.230 nan 0.000 0.435 226 R N 0.674 121.164 120.500 -0.018 0.000 2.070 226 R HA -0.175 4.165 4.340 0.001 0.000 0.233 226 R C 1.937 178.204 176.300 -0.055 0.000 1.137 226 R CA 1.998 58.131 56.100 0.055 0.000 0.945 226 R CB -0.114 30.253 30.300 0.112 0.000 0.845 226 R HN 0.352 nan 8.270 nan 0.000 0.430 227 N N 0.361 119.034 118.700 -0.044 0.000 2.396 227 N HA -0.144 4.597 4.740 0.001 0.000 0.180 227 N C 1.601 177.038 175.510 -0.123 0.000 1.028 227 N CA 0.918 53.938 53.050 -0.051 0.000 0.893 227 N CB -0.111 38.382 38.487 0.010 0.000 0.967 227 N HN 0.348 nan 8.380 nan 0.000 0.440 228 Q N 0.120 119.790 119.800 -0.218 0.000 2.096 228 Q HA 0.115 4.456 4.340 0.001 0.000 0.197 228 Q C 1.543 177.323 176.000 -0.366 0.000 0.964 228 Q CA 1.239 56.814 55.803 -0.381 0.000 0.838 228 Q CB 0.008 28.312 28.738 -0.722 0.000 0.906 228 Q HN 0.094 nan 8.270 nan 0.000 0.444 229 M N -0.603 118.746 119.600 -0.419 0.000 2.388 229 M HA 0.152 4.632 4.480 0.001 0.000 0.265 229 M C -0.059 176.121 176.300 -0.200 0.000 1.088 229 M CA 0.468 55.526 55.300 -0.402 0.000 1.134 229 M CB 0.521 32.634 32.600 -0.811 0.000 1.384 229 M HN -0.046 nan 8.290 nan 0.000 0.447 230 V N 0.774 120.608 119.914 -0.134 0.000 2.467 230 V HA 0.176 4.297 4.120 0.001 0.000 0.260 230 V C -1.898 174.176 176.094 -0.032 0.000 0.963 230 V CA -0.861 61.421 62.300 -0.030 0.000 0.856 230 V CB 1.130 32.988 31.823 0.059 0.000 1.087 230 V HN 0.041 nan 8.190 nan 0.000 0.467 231 P HA -0.217 nan 4.420 nan 0.000 0.217 231 P C 1.563 178.858 177.300 -0.007 0.000 1.151 231 P CA 1.251 64.330 63.100 -0.034 0.000 0.849 231 P CB 0.424 32.102 31.700 -0.036 0.000 0.787 232 E N -0.197 120.011 120.200 0.013 0.000 2.418 232 E HA -0.102 4.248 4.350 0.001 0.000 0.197 232 E C 1.624 178.238 176.600 0.023 0.000 1.026 232 E CA 0.927 57.350 56.400 0.038 0.000 0.862 232 E CB -0.295 29.445 29.700 0.066 0.000 0.799 232 E HN 0.261 nan 8.360 nan 0.000 0.518 233 S N -0.086 115.594 115.700 -0.033 0.000 2.500 233 S HA -0.116 4.355 4.470 0.001 0.000 0.239 233 S C 2.078 176.480 174.600 -0.330 0.000 0.989 233 S CA 1.014 59.054 58.200 -0.267 0.000 0.951 233 S CB -0.729 62.389 63.200 -0.137 0.000 0.759 233 S HN 0.199 nan 8.310 nan 0.000 0.523 234 V N -0.202 119.644 119.914 -0.114 0.000 2.759 234 V HA -0.004 4.116 4.120 0.001 0.000 0.256 234 V C 1.620 177.702 176.094 -0.019 0.000 1.080 234 V CA 1.514 63.793 62.300 -0.036 0.000 1.101 234 V CB -1.006 30.842 31.823 0.041 0.000 0.698 234 V HN 0.420 nan 8.190 nan 0.000 0.477 235 N N 0.881 119.563 118.700 -0.030 0.000 2.398 235 N HA 0.061 4.802 4.740 0.001 0.000 0.188 235 N C 0.485 176.056 175.510 0.100 0.000 1.122 235 N CA 0.666 53.745 53.050 0.049 0.000 0.866 235 N CB -0.105 38.434 38.487 0.086 0.000 0.970 235 N HN 0.934 nan 8.380 nan 0.000 0.462 236 H N -3.341 115.770 119.070 0.070 0.000 2.960 236 H HA 0.573 5.129 4.556 0.001 0.000 0.323 236 H C -1.224 174.168 175.328 0.108 0.000 1.326 236 H CA -0.847 55.249 56.048 0.080 0.000 1.124 236 H CB 1.282 31.085 29.762 0.069 0.000 1.853 236 H HN -0.181 nan 8.280 nan 0.000 0.536 237 A N 1.561 124.566 122.820 0.308 0.000 2.631 237 A HA 0.193 4.514 4.320 0.001 0.000 0.294 237 A C -0.327 177.471 177.584 0.357 0.000 1.156 237 A CA -0.642 51.569 52.037 0.289 0.000 0.963 237 A CB -0.498 18.688 19.000 0.311 0.000 1.202 237 A HN 0.567 nan 8.150 nan 0.000 0.523 238 N N 1.385 120.395 118.700 0.517 0.000 2.515 238 N HA 0.362 5.103 4.740 0.001 0.000 0.279 238 N C -3.033 172.473 175.510 -0.006 0.000 1.164 238 N CA -1.437 51.738 53.050 0.209 0.000 0.982 238 N CB 0.530 39.092 38.487 0.126 0.000 1.170 238 N HN 0.042 nan 8.380 nan 0.000 0.474 239 P HA 0.053 nan 4.420 nan 0.000 0.271 239 P C -0.443 176.819 177.300 -0.065 0.000 1.216 239 P CA -0.212 62.641 63.100 -0.412 0.000 0.776 239 P CB 0.754 32.142 31.700 -0.519 0.000 0.881 240 V N -0.232 119.664 119.914 -0.030 0.000 3.001 240 V HA 0.800 4.921 4.120 0.001 0.000 0.314 240 V C -0.609 175.434 176.094 -0.086 0.000 1.099 240 V CA -0.693 61.623 62.300 0.027 0.000 0.989 240 V CB 2.318 34.224 31.823 0.137 0.000 1.040 240 V HN 0.343 nan 8.190 nan 0.000 0.434 241 S N 1.751 117.391 115.700 -0.101 0.000 2.513 241 S HA 0.900 5.370 4.470 0.001 0.000 0.299 241 S C -1.278 173.228 174.600 -0.157 0.000 1.087 241 S CA -0.516 57.528 58.200 -0.260 0.000 1.012 241 S CB 1.477 64.542 63.200 -0.225 0.000 1.044 241 S HN 1.084 nan 8.310 nan 0.000 0.485 242 Y N -1.471 118.769 120.300 -0.100 0.000 2.581 242 Y HA 0.804 5.355 4.550 0.001 0.000 0.345 242 Y C -0.610 175.188 175.900 -0.170 0.000 1.036 242 Y CA -1.329 56.704 58.100 -0.111 0.000 1.042 242 Y CB 0.659 39.065 38.460 -0.090 0.000 1.289 242 Y HN 0.651 nan 8.280 nan 0.000 0.471 243 C N 2.493 121.804 119.300 0.018 0.000 2.369 243 C HA 1.005 5.466 4.460 0.001 0.000 0.322 243 C C 0.248 175.209 174.990 -0.049 0.000 1.258 243 C CA 0.749 59.645 59.018 -0.204 0.000 1.487 243 C CB 0.147 27.657 27.740 -0.383 0.000 2.165 243 C HN 1.434 nan 8.230 nan 0.000 0.483 244 G N 4.119 112.849 108.800 -0.117 0.000 2.333 244 G HA2 0.438 4.398 3.960 0.001 0.000 0.288 244 G HA3 0.438 4.398 3.960 0.001 0.000 0.288 244 G C -2.201 172.599 174.900 -0.167 0.000 1.286 244 G CA -0.428 44.706 45.100 0.057 0.000 0.865 244 G HN 0.652 nan 8.290 nan 0.000 0.506 245 Y N -1.919 118.467 120.300 0.143 0.000 2.638 245 Y HA 0.728 5.278 4.550 0.001 0.000 0.339 245 Y C 0.063 176.001 175.900 0.062 0.000 1.084 245 Y CA -1.078 57.076 58.100 0.089 0.000 1.068 245 Y CB 2.165 40.649 38.460 0.039 0.000 1.294 245 Y HN 0.410 nan 8.280 nan 0.000 0.480 246 V N 1.462 121.521 119.914 0.241 0.000 2.513 246 V HA 0.879 4.999 4.120 0.001 0.000 0.299 246 V C -0.552 175.624 176.094 0.137 0.000 1.035 246 V CA -0.616 61.785 62.300 0.169 0.000 0.889 246 V CB 1.208 33.090 31.823 0.100 0.000 0.988 246 V HN 0.851 nan 8.190 nan 0.000 0.440 247 A N 3.327 126.225 122.820 0.130 0.000 2.449 247 A HA 0.921 5.242 4.320 0.001 0.000 0.302 247 A C -0.534 177.115 177.584 0.109 0.000 1.048 247 A CA -0.550 51.545 52.037 0.096 0.000 0.708 247 A CB 2.331 21.368 19.000 0.061 0.000 1.274 247 A HN 0.750 nan 8.150 nan 0.000 0.410 248 T N 1.235 115.856 114.554 0.111 0.000 2.885 248 T HA 0.508 4.858 4.350 0.001 0.000 0.322 248 T C -1.572 173.188 174.700 0.101 0.000 1.387 248 T CA -0.435 61.732 62.100 0.112 0.000 1.041 248 T CB 0.698 69.663 68.868 0.161 0.000 1.287 248 T HN 0.505 nan 8.240 nan 0.000 0.491 249 I N 4.354 124.971 120.570 0.079 0.000 2.304 249 I HA 0.393 4.564 4.170 0.001 0.000 0.291 249 I C -0.252 175.921 176.117 0.094 0.000 1.018 249 I CA -0.732 60.616 61.300 0.081 0.000 1.260 249 I CB 0.917 38.951 38.000 0.057 0.000 1.390 249 I HN 0.511 nan 8.210 nan 0.000 0.475 250 L N 7.793 129.091 121.223 0.126 0.000 2.257 250 L HA 0.462 4.803 4.340 0.001 0.000 0.290 250 L C -0.094 176.889 176.870 0.190 0.000 1.044 250 L CA 0.429 55.352 54.840 0.137 0.000 0.810 250 L CB 1.086 43.197 42.059 0.087 0.000 1.193 250 L HN 0.530 nan 8.230 nan 0.000 0.425 251 T N 6.617 121.277 114.554 0.177 0.000 2.770 251 T HA 0.500 4.851 4.350 0.001 0.000 0.283 251 T C -0.207 174.608 174.700 0.191 0.000 0.988 251 T CA -0.316 61.884 62.100 0.167 0.000 0.957 251 T CB 0.782 69.709 68.868 0.099 0.000 0.930 251 T HN 0.429 nan 8.240 nan 0.000 0.443 252 L N 3.409 124.748 121.223 0.194 0.000 2.282 252 L HA 0.373 4.713 4.340 0.001 0.000 0.288 252 L C 1.522 178.465 176.870 0.121 0.000 1.033 252 L CA -0.563 54.379 54.840 0.168 0.000 0.807 252 L CB 1.486 43.633 42.059 0.146 0.000 1.209 252 L HN 0.759 nan 8.230 nan 0.000 0.423 253 E N 1.030 121.290 120.200 0.100 0.000 2.106 253 E HA -0.087 4.263 4.350 0.001 0.000 0.192 253 E C 0.226 176.863 176.600 0.061 0.000 0.984 253 E CA 1.161 57.600 56.400 0.065 0.000 0.806 253 E CB 0.194 29.923 29.700 0.048 0.000 0.750 253 E HN 0.747 nan 8.360 nan 0.000 0.458 254 T N -2.691 111.904 114.554 0.069 0.000 2.883 254 T HA 0.321 4.671 4.350 0.001 0.000 0.301 254 T C -0.232 174.507 174.700 0.065 0.000 1.158 254 T CA -0.973 61.162 62.100 0.059 0.000 1.007 254 T CB 1.938 70.834 68.868 0.046 0.000 1.186 254 T HN -0.090 nan 8.240 nan 0.000 0.499 255 S N 0.006 115.740 115.700 0.057 0.000 2.558 255 S HA 0.563 5.034 4.470 0.001 0.000 0.288 255 S C 0.515 175.139 174.600 0.039 0.000 1.318 255 S CA 0.696 58.927 58.200 0.052 0.000 1.056 255 S CB -0.759 62.468 63.200 0.045 0.000 0.853 255 S HN 1.551 nan 8.310 nan 0.000 0.505 256 G N 1.996 110.811 108.800 0.026 0.000 2.356 256 G HA2 0.408 4.368 3.960 0.001 0.000 0.294 256 G HA3 0.408 4.368 3.960 0.001 0.000 0.294 256 G C -1.610 173.287 174.900 -0.005 0.000 1.423 256 G CA -0.609 44.501 45.100 0.017 0.000 0.806 256 G HN 0.807 nan 8.290 nan 0.000 0.527 257 V N 0.109 120.024 119.914 0.001 0.000 2.465 257 V HA 0.577 4.697 4.120 0.001 0.000 0.279 257 V C 0.151 176.234 176.094 -0.019 0.000 1.045 257 V CA -0.448 61.849 62.300 -0.005 0.000 0.938 257 V CB 1.179 33.011 31.823 0.016 0.000 0.986 257 V HN 0.617 nan 8.190 nan 0.000 0.467 258 V N 3.680 123.567 119.914 -0.045 0.000 2.604 258 V HA 0.514 4.635 4.120 0.001 0.000 0.305 258 V C 0.056 176.152 176.094 0.002 0.000 1.043 258 V CA -0.452 61.794 62.300 -0.089 0.000 0.888 258 V CB 2.338 34.034 31.823 -0.211 0.000 0.995 258 V HN 0.914 nan 8.190 nan 0.000 0.429 259 T N 5.788 120.385 114.554 0.071 0.000 2.770 259 T HA 0.604 4.954 4.350 0.001 0.000 0.283 259 T C -0.397 174.436 174.700 0.222 0.000 0.988 259 T CA -0.314 61.901 62.100 0.191 0.000 0.957 259 T CB 0.803 69.864 68.868 0.321 0.000 0.930 259 T HN 0.358 nan 8.240 nan 0.000 0.443 260 L N 2.954 124.290 121.223 0.188 0.000 2.275 260 L HA 0.684 5.024 4.340 0.001 0.000 0.288 260 L C 0.858 177.734 176.870 0.009 0.000 1.046 260 L CA -0.700 54.221 54.840 0.136 0.000 0.805 260 L CB 1.084 43.298 42.059 0.258 0.000 1.193 260 L HN 0.719 nan 8.230 nan 0.000 0.426 261 G N 2.266 110.955 108.800 -0.186 0.000 2.452 261 G HA2 0.677 4.637 3.960 0.001 0.000 0.324 261 G HA3 0.677 4.637 3.960 0.001 0.000 0.324 261 G C -1.250 173.291 174.900 -0.598 0.000 1.214 261 G CA -0.245 44.585 45.100 -0.450 0.000 0.947 261 G HN 0.358 nan 8.290 nan 0.000 0.478 262 F N 2.365 122.128 119.950 -0.313 0.000 2.564 262 F HA 0.344 4.872 4.527 0.001 0.000 0.368 262 F C -1.716 173.967 175.800 -0.196 0.000 1.127 262 F CA -1.940 55.997 58.000 -0.105 0.000 1.170 262 F CB 2.638 41.583 39.000 -0.093 0.000 1.397 262 F HN 0.300 nan 8.300 nan 0.000 0.493 263 P HA -0.179 nan 4.420 nan 0.000 0.217 263 P C 1.230 178.646 177.300 0.193 0.000 1.151 263 P CA 1.851 64.993 63.100 0.071 0.000 0.849 263 P CB 0.117 31.839 31.700 0.036 0.000 0.787 264 T N -5.526 109.177 114.554 0.249 0.000 3.174 264 T HA 0.562 4.912 4.350 0.001 0.000 0.269 264 T C 0.765 175.498 174.700 0.055 0.000 1.017 264 T CA -0.074 62.146 62.100 0.199 0.000 0.899 264 T CB -0.276 68.781 68.868 0.315 0.000 1.077 264 T HN 0.325 nan 8.240 nan 0.000 0.552 265 G N 1.043 109.864 108.800 0.035 0.000 2.796 265 G HA2 -0.059 3.901 3.960 0.001 0.000 0.571 265 G HA3 -0.059 3.901 3.960 0.001 0.000 0.571 265 G C -0.767 174.048 174.900 -0.141 0.000 1.370 265 G CA -0.626 44.421 45.100 -0.090 0.000 0.856 265 G HN 0.694 nan 8.290 nan 0.000 0.538 266 V N 1.808 121.499 119.914 -0.371 0.000 2.364 266 V HA 0.318 4.439 4.120 0.001 0.000 0.272 266 V C 1.848 177.787 176.094 -0.259 0.000 1.036 266 V CA 0.148 62.162 62.300 -0.477 0.000 0.880 266 V CB 1.175 32.600 31.823 -0.664 0.000 0.991 266 V HN 0.826 nan 8.190 nan 0.000 0.460 267 R N 3.012 123.420 120.500 -0.154 0.000 2.091 267 R HA -0.058 4.283 4.340 0.001 0.000 0.238 267 R C 1.415 177.645 176.300 -0.116 0.000 1.136 267 R CA 1.441 57.481 56.100 -0.100 0.000 0.959 267 R CB -0.017 30.267 30.300 -0.026 0.000 0.856 267 R HN 0.837 nan 8.270 nan 0.000 0.437 268 G N -1.009 107.727 108.800 -0.106 0.000 2.574 268 G HA2 0.055 4.015 3.960 0.001 0.000 0.248 268 G HA3 0.055 4.015 3.960 0.001 0.000 0.248 268 G C 0.685 175.547 174.900 -0.063 0.000 1.422 268 G CA 0.126 45.183 45.100 -0.072 0.000 1.051 268 G HN 0.254 nan 8.290 nan 0.000 0.560 269 S N -1.758 113.960 115.700 0.030 0.000 2.474 269 S HA 0.380 4.851 4.470 0.001 0.000 0.235 269 S C 1.096 175.682 174.600 -0.024 0.000 0.997 269 S CA 0.971 59.202 58.200 0.050 0.000 0.949 269 S CB -0.338 62.964 63.200 0.170 0.000 0.766 269 S HN 1.913 nan 8.310 nan 0.000 0.517 270 G N -0.703 108.081 108.800 -0.027 0.000 2.333 270 G HA2 0.409 4.370 3.960 0.001 0.000 0.288 270 G HA3 0.409 4.370 3.960 0.001 0.000 0.288 270 G C -1.944 172.808 174.900 -0.245 0.000 1.286 270 G CA -0.309 44.617 45.100 -0.290 0.000 0.865 270 G HN 0.467 nan 8.290 nan 0.000 0.506 271 V N 0.536 120.143 119.914 -0.512 0.000 2.540 271 V HA 0.715 4.835 4.120 0.001 0.000 0.302 271 V C -0.817 175.050 176.094 -0.379 0.000 1.035 271 V CA -0.534 61.558 62.300 -0.346 0.000 0.873 271 V CB 1.940 33.334 31.823 -0.715 0.000 0.992 271 V HN 0.637 nan 8.190 nan 0.000 0.428 272 W N 3.043 124.278 121.300 -0.110 0.000 2.666 272 W HA 0.743 5.403 4.660 0.001 0.000 0.334 272 W C -1.192 175.294 176.519 -0.055 0.000 1.051 272 W CA -0.649 56.651 57.345 -0.074 0.000 1.224 272 W CB 2.325 31.733 29.460 -0.088 0.000 1.405 272 W HN 0.275 nan 8.180 nan 0.000 0.513 273 V N 3.404 123.411 119.914 0.155 0.000 2.482 273 V HA 0.122 4.242 4.120 0.001 0.000 0.295 273 V C -0.245 175.933 176.094 0.140 0.000 1.026 273 V CA -0.664 61.708 62.300 0.121 0.000 0.856 273 V CB 1.510 33.371 31.823 0.064 0.000 1.001 273 V HN 0.668 nan 8.190 nan 0.000 0.424 274 D N 4.106 124.591 120.400 0.141 0.000 2.772 274 D HA -0.195 4.446 4.640 0.001 0.000 0.233 274 D C 1.328 177.691 176.300 0.105 0.000 1.143 274 D CA 1.704 55.775 54.000 0.118 0.000 0.700 274 D CB -1.094 39.792 40.800 0.143 0.000 1.076 274 D HN 1.473 nan 8.370 nan 0.000 0.430 275 G N -2.052 106.820 108.800 0.120 0.000 2.184 275 G HA2 -0.318 3.643 3.960 0.001 0.000 0.264 275 G HA3 -0.318 3.643 3.960 0.001 0.000 0.264 275 G C 0.349 175.402 174.900 0.255 0.000 0.975 275 G CA 0.391 45.568 45.100 0.128 0.000 0.642 275 G HN 0.634 nan 8.290 nan 0.000 0.536 276 V N 2.434 122.487 119.914 0.231 0.000 2.398 276 V HA 0.575 4.695 4.120 0.001 0.000 0.286 276 V C 0.775 176.892 176.094 0.039 0.000 1.026 276 V CA -1.095 61.304 62.300 0.165 0.000 0.868 276 V CB 1.805 33.679 31.823 0.085 0.000 0.982 276 V HN 0.361 nan 8.190 nan 0.000 0.443 277 L N 5.633 126.772 121.223 -0.141 0.000 2.418 277 L HA 0.274 4.615 4.340 0.001 0.000 0.274 277 L C 0.083 176.774 176.870 -0.298 0.000 1.135 277 L CA 0.180 54.625 54.840 -0.659 0.000 0.870 277 L CB 1.078 42.772 42.059 -0.609 0.000 1.154 277 L HN 0.680 nan 8.230 nan 0.000 0.462 278 Q N 4.178 123.815 119.800 -0.272 0.000 2.323 278 Q HA 0.120 4.460 4.340 0.001 0.000 0.257 278 Q C 1.184 177.298 176.000 0.190 0.000 1.022 278 Q CA 0.087 55.904 55.803 0.023 0.000 0.919 278 Q CB 0.816 29.610 28.738 0.094 0.000 1.220 278 Q HN 0.736 nan 8.270 nan 0.000 0.427 279 T N -1.740 112.883 114.554 0.115 0.000 3.065 279 T HA 0.099 4.450 4.350 0.001 0.000 0.252 279 T C 0.356 174.979 174.700 -0.129 0.000 1.099 279 T CA 0.133 62.272 62.100 0.065 0.000 1.063 279 T CB 0.507 69.347 68.868 -0.046 0.000 0.948 279 T HN 0.212 nan 8.240 nan 0.000 0.506 280 E N 1.113 121.292 120.200 -0.035 0.000 2.195 280 E HA 0.578 4.928 4.350 0.001 0.000 0.271 280 E C -0.939 175.606 176.600 -0.092 0.000 0.923 280 E CA -0.718 55.533 56.400 -0.248 0.000 0.790 280 E CB 1.727 31.338 29.700 -0.149 0.000 1.155 280 E HN 0.672 nan 8.360 nan 0.000 0.402 281 W N -0.128 121.023 121.300 -0.249 0.000 2.989 281 W HA 0.582 5.242 4.660 0.001 0.000 0.344 281 W C -1.086 175.295 176.519 -0.231 0.000 1.233 281 W CA -0.794 56.309 57.345 -0.403 0.000 1.187 281 W CB -0.069 28.856 29.460 -0.891 0.000 1.443 281 W HN 0.471 nan 8.180 nan 0.000 0.573 282 T N -0.886 113.762 114.554 0.156 0.000 2.742 282 T HA 0.926 5.276 4.350 0.001 0.000 0.282 282 T C 0.095 174.942 174.700 0.246 0.000 1.025 282 T CA -0.550 61.633 62.100 0.138 0.000 1.020 282 T CB 1.123 70.022 68.868 0.052 0.000 1.317 282 T HN 2.480 nan 8.240 nan 0.000 0.538 283 G N -0.755 108.169 108.800 0.206 0.000 2.525 283 G HA2 0.295 4.255 3.960 0.001 0.000 0.685 283 G HA3 0.295 4.255 3.960 0.001 0.000 0.685 283 G C -1.300 173.689 174.900 0.147 0.000 1.285 283 G CA -0.571 44.681 45.100 0.253 0.000 0.849 283 G HN 1.167 nan 8.290 nan 0.000 0.653 284 V N 2.718 122.719 119.914 0.146 0.000 2.364 284 V HA 0.410 4.530 4.120 0.001 0.000 0.272 284 V C 1.135 177.260 176.094 0.051 0.000 1.036 284 V CA -0.160 62.204 62.300 0.107 0.000 0.880 284 V CB 1.301 33.214 31.823 0.150 0.000 0.991 284 V HN 0.984 nan 8.190 nan 0.000 0.460 285 Q N 8.236 128.041 119.800 0.008 0.000 2.348 285 Q HA -0.060 4.280 4.340 0.001 0.000 0.331 285 Q C -1.433 174.477 176.000 -0.151 0.000 1.099 285 Q CA -0.382 55.379 55.803 -0.070 0.000 1.021 285 Q CB 0.846 29.556 28.738 -0.046 0.000 1.166 285 Q HN 0.544 nan 8.270 nan 0.000 0.393 286 P HA 0.020 nan 4.420 nan 0.000 0.255 286 P C -0.863 176.278 177.300 -0.265 0.000 1.248 286 P CA 0.371 63.285 63.100 -0.310 0.000 0.807 286 P CB 0.308 31.778 31.700 -0.383 0.000 1.150 287 E N 1.049 121.115 120.200 -0.223 0.000 2.390 287 E HA 0.298 4.648 4.350 0.001 0.000 0.261 287 E C 0.225 176.683 176.600 -0.235 0.000 1.076 287 E CA -0.103 56.186 56.400 -0.184 0.000 0.905 287 E CB 0.838 30.524 29.700 -0.022 0.000 0.984 287 E HN 0.028 nan 8.360 nan 0.000 0.427 288 R N 1.735 121.964 120.500 -0.452 0.000 2.566 288 R HA 0.315 4.655 4.340 0.001 0.000 0.271 288 R C -1.966 173.967 176.300 -0.612 0.000 1.071 288 R CA -0.524 55.334 56.100 -0.404 0.000 0.915 288 R CB 1.022 31.064 30.300 -0.429 0.000 1.228 288 R HN 0.510 nan 8.270 nan 0.000 0.449 289 Y N 2.499 122.735 120.300 -0.107 0.000 2.442 289 Y HA 0.453 5.004 4.550 0.001 0.000 0.344 289 Y C -1.055 174.813 175.900 -0.054 0.000 0.976 289 Y CA -0.754 57.284 58.100 -0.104 0.000 1.040 289 Y CB 1.853 40.118 38.460 -0.325 0.000 1.228 289 Y HN 0.405 nan 8.280 nan 0.000 0.451 290 Y N 0.483 120.905 120.300 0.203 0.000 2.377 290 Y HA 0.530 5.080 4.550 0.001 0.000 0.339 290 Y C 0.162 176.138 175.900 0.127 0.000 1.011 290 Y CA -0.868 57.348 58.100 0.194 0.000 1.093 290 Y CB 2.364 40.947 38.460 0.206 0.000 1.201 290 Y HN 0.500 nan 8.280 nan 0.000 0.455 291 S N 4.166 120.009 115.700 0.237 0.000 2.442 291 S HA 0.695 5.166 4.470 0.001 0.000 0.297 291 S C -1.192 173.480 174.600 0.119 0.000 1.131 291 S CA -0.593 57.691 58.200 0.140 0.000 1.092 291 S CB -0.070 63.180 63.200 0.083 0.000 0.998 291 S HN 0.581 nan 8.310 nan 0.000 0.478 292 L N 4.689 125.955 121.223 0.071 0.000 2.349 292 L HA 0.494 4.834 4.340 0.001 0.000 0.278 292 L C -0.307 176.556 176.870 -0.012 0.000 0.996 292 L CA -0.866 53.988 54.840 0.023 0.000 0.825 292 L CB 1.560 43.608 42.059 -0.018 0.000 1.243 292 L HN 0.553 nan 8.230 nan 0.000 0.412 293 N N 4.340 123.037 118.700 -0.006 0.000 2.767 293 N HA 0.451 5.192 4.740 0.001 0.000 0.238 293 N C -0.966 174.530 175.510 -0.024 0.000 1.083 293 N CA -0.160 52.885 53.050 -0.008 0.000 0.964 293 N CB 0.313 38.805 38.487 0.009 0.000 1.252 293 N HN 0.486 nan 8.380 nan 0.000 0.512 294 L N 0.927 122.111 121.223 -0.065 0.000 2.358 294 L HA 0.808 5.149 4.340 0.001 0.000 0.268 294 L C 0.563 177.440 176.870 0.013 0.000 1.032 294 L CA -1.300 53.484 54.840 -0.095 0.000 0.805 294 L CB 1.314 43.150 42.059 -0.372 0.000 1.253 294 L HN 0.331 nan 8.230 nan 0.000 0.452 295 A N 0.516 123.407 122.820 0.119 0.000 2.299 295 A HA 0.813 5.134 4.320 0.001 0.000 0.332 295 A C -0.092 177.611 177.584 0.198 0.000 1.131 295 A CA -0.453 51.663 52.037 0.132 0.000 0.844 295 A CB 1.140 20.214 19.000 0.123 0.000 1.251 295 A HN 0.778 nan 8.150 nan 0.000 0.486 296 A N -0.270 122.627 122.820 0.129 0.000 2.547 296 A HA 0.547 4.867 4.320 0.001 0.000 0.233 296 A C 1.061 178.720 177.584 0.124 0.000 1.067 296 A CA 1.113 53.225 52.037 0.125 0.000 0.763 296 A CB -0.552 18.493 19.000 0.074 0.000 1.007 296 A HN 2.853 nan 8.150 nan 0.000 0.506 297 G N 0.585 109.450 108.800 0.109 0.000 2.331 297 G HA2 0.151 4.111 3.960 0.001 0.000 0.479 297 G HA3 0.151 4.111 3.960 0.001 0.000 0.479 297 G C -0.860 174.032 174.900 -0.013 0.000 1.262 297 G CA -0.297 44.808 45.100 0.009 0.000 1.029 297 G HN 0.896 nan 8.290 nan 0.000 0.487 298 E N 0.010 120.118 120.200 -0.154 0.000 2.231 298 E HA 0.619 4.970 4.350 0.001 0.000 0.277 298 E C -0.979 175.404 176.600 -0.361 0.000 0.999 298 E CA -0.484 55.850 56.400 -0.110 0.000 0.827 298 E CB 1.268 30.936 29.700 -0.053 0.000 1.101 298 E HN 0.508 nan 8.360 nan 0.000 0.393 299 H N 0.607 119.699 119.070 0.036 0.000 2.856 299 H HA 0.270 4.826 4.556 0.001 0.000 0.355 299 H C -1.287 174.066 175.328 0.042 0.000 1.079 299 H CA -0.817 55.253 56.048 0.037 0.000 1.240 299 H CB 1.181 30.964 29.762 0.035 0.000 1.701 299 H HN 0.214 nan 8.280 nan 0.000 0.527 300 L N 3.786 125.092 121.223 0.138 0.000 2.265 300 L HA 0.438 4.779 4.340 0.001 0.000 0.288 300 L C -1.069 175.867 176.870 0.110 0.000 1.058 300 L CA -0.366 54.532 54.840 0.096 0.000 0.809 300 L CB 0.516 42.605 42.059 0.050 0.000 1.179 300 L HN 0.483 nan 8.230 nan 0.000 0.429 301 V N 6.645 126.627 119.914 0.113 0.000 2.398 301 V HA 0.450 4.571 4.120 0.001 0.000 0.286 301 V C -0.380 175.774 176.094 0.099 0.000 1.026 301 V CA -0.565 61.809 62.300 0.123 0.000 0.868 301 V CB 1.470 33.392 31.823 0.164 0.000 0.982 301 V HN 0.603 nan 8.190 nan 0.000 0.443 302 L N 6.011 127.300 121.223 0.110 0.000 2.349 302 L HA 0.643 4.983 4.340 0.001 0.000 0.278 302 L C -0.562 176.443 176.870 0.225 0.000 0.996 302 L CA -0.044 54.850 54.840 0.090 0.000 0.825 302 L CB 2.005 44.005 42.059 -0.098 0.000 1.243 302 L HN 0.458 nan 8.230 nan 0.000 0.412 303 V N 3.591 123.628 119.914 0.205 0.000 2.357 303 V HA 0.326 4.446 4.120 0.001 0.000 0.284 303 V C -0.420 175.842 176.094 0.280 0.000 1.018 303 V CA -0.821 61.583 62.300 0.172 0.000 0.841 303 V CB 1.527 33.346 31.823 -0.008 0.000 0.991 303 V HN 0.640 nan 8.190 nan 0.000 0.437 304 D N 4.638 125.232 120.400 0.324 0.000 2.371 304 D HA 0.190 4.831 4.640 0.001 0.000 0.256 304 D C 0.776 177.075 176.300 -0.003 0.000 1.193 304 D CA -0.097 53.961 54.000 0.097 0.000 0.881 304 D CB 1.044 41.959 40.800 0.192 0.000 1.143 304 D HN 0.613 nan 8.370 nan 0.000 0.473 305 I N 0.159 120.711 120.570 -0.030 0.000 4.009 305 I HA 0.211 4.381 4.170 0.001 0.000 0.331 305 I C 0.148 176.289 176.117 0.041 0.000 1.462 305 I CA -0.564 60.767 61.300 0.052 0.000 1.117 305 I CB 0.133 38.232 38.000 0.166 0.000 1.091 305 I HN 0.008 nan 8.210 nan 0.000 0.410 306 T N 3.399 117.901 114.554 -0.087 0.000 2.792 306 T HA 0.299 4.649 4.350 0.001 0.000 0.286 306 T C 0.388 174.948 174.700 -0.233 0.000 0.970 306 T CA 0.854 62.841 62.100 -0.188 0.000 1.187 306 T CB -0.038 68.659 68.868 -0.285 0.000 0.915 306 T HN 0.812 nan 8.240 nan 0.000 0.529 307 S N 1.798 117.261 115.700 -0.396 0.000 2.636 307 S HA 0.477 4.948 4.470 0.001 0.000 0.266 307 S C -0.802 173.472 174.600 -0.543 0.000 1.116 307 S CA -1.100 56.867 58.200 -0.388 0.000 0.893 307 S CB 1.182 64.209 63.200 -0.289 0.000 1.171 307 S HN 0.557 nan 8.310 nan 0.000 0.482 308 S N 0.350 115.819 115.700 -0.386 0.000 2.508 308 S HA 0.632 5.103 4.470 0.001 0.000 0.284 308 S C -1.621 172.796 174.600 -0.305 0.000 1.192 308 S CA -0.257 57.733 58.200 -0.349 0.000 1.070 308 S CB 0.595 63.636 63.200 -0.265 0.000 1.004 308 S HN 0.660 nan 8.310 nan 0.000 0.493 309 D N 1.638 121.889 120.400 -0.249 0.000 2.575 309 D HA 0.226 4.867 4.640 0.001 0.000 0.250 309 D C 0.193 176.495 176.300 0.002 0.000 1.279 309 D CA -0.342 53.612 54.000 -0.076 0.000 0.925 309 D CB 0.975 41.818 40.800 0.071 0.000 1.261 309 D HN 0.709 nan 8.370 nan 0.000 0.567 310 H N 2.738 121.755 119.070 -0.087 0.000 2.502 310 H HA 0.282 4.838 4.556 0.001 0.000 0.283 310 H C 0.756 176.035 175.328 -0.081 0.000 1.015 310 H CA 1.516 57.497 56.048 -0.112 0.000 1.298 310 H CB 0.513 30.177 29.762 -0.163 0.000 1.411 310 H HN 0.663 nan 8.280 nan 0.000 0.556 311 G N -2.151 106.694 108.800 0.074 0.000 2.339 311 G HA2 0.420 4.381 3.960 0.001 0.000 0.381 311 G HA3 0.420 4.381 3.960 0.001 0.000 0.381 311 G C -0.432 174.426 174.900 -0.069 0.000 1.400 311 G CA -0.176 44.917 45.100 -0.012 0.000 1.002 311 G HN 0.762 nan 8.290 nan 0.000 0.633 312 G N -1.349 107.391 108.800 -0.099 0.000 2.555 312 G HA2 0.445 4.406 3.960 0.001 0.000 0.686 312 G HA3 0.445 4.406 3.960 0.001 0.000 0.686 312 G C -0.076 174.787 174.900 -0.062 0.000 1.275 312 G CA 0.372 45.404 45.100 -0.113 0.000 0.871 312 G HN 1.936 nan 8.290 nan 0.000 0.603 313 S N -0.045 115.607 115.700 -0.080 0.000 2.565 313 S HA 0.693 5.163 4.470 0.001 0.000 0.274 313 S C 0.525 175.054 174.600 -0.118 0.000 1.309 313 S CA -0.021 58.105 58.200 -0.123 0.000 1.043 313 S CB 1.421 64.489 63.200 -0.221 0.000 0.939 313 S HN 0.944 nan 8.310 nan 0.000 0.504 314 S N 2.199 117.824 115.700 -0.124 0.000 2.509 314 S HA 0.447 4.918 4.470 0.001 0.000 0.297 314 S C -0.685 173.815 174.600 -0.167 0.000 1.118 314 S CA -0.769 57.430 58.200 -0.001 0.000 1.074 314 S CB 0.531 63.792 63.200 0.102 0.000 1.038 314 S HN 0.638 nan 8.310 nan 0.000 0.498 315 H N 1.245 120.431 119.070 0.193 0.000 2.524 315 H HA 0.474 5.031 4.556 0.001 0.000 0.353 315 H C -1.361 174.137 175.328 0.283 0.000 1.136 315 H CA -0.421 55.746 56.048 0.199 0.000 1.193 315 H CB 1.684 31.571 29.762 0.209 0.000 1.558 315 H HN 0.602 nan 8.280 nan 0.000 0.515 316 F N 1.358 121.357 119.950 0.082 0.000 2.573 316 F HA 0.583 5.111 4.527 0.001 0.000 0.316 316 F C -1.462 174.309 175.800 -0.048 0.000 1.148 316 F CA -0.592 57.390 58.000 -0.030 0.000 0.940 316 F CB 1.287 40.344 39.000 0.094 0.000 1.214 316 F HN 0.630 nan 8.300 nan 0.000 0.448 317 A N 6.532 129.200 122.820 -0.254 0.000 2.515 317 A HA 0.909 5.230 4.320 0.001 0.000 0.296 317 A C -1.723 175.816 177.584 -0.075 0.000 1.094 317 A CA -0.708 51.234 52.037 -0.158 0.000 0.718 317 A CB 1.878 20.992 19.000 0.190 0.000 1.307 317 A HN 0.715 nan 8.150 nan 0.000 0.408 318 I N 0.551 121.174 120.570 0.089 0.000 2.722 318 I HA 0.479 4.650 4.170 0.001 0.000 0.295 318 I C -1.411 174.755 176.117 0.082 0.000 1.161 318 I CA -0.334 61.007 61.300 0.069 0.000 1.032 318 I CB 2.691 40.598 38.000 -0.155 0.000 1.244 318 I HN 0.813 nan 8.210 nan 0.000 0.421 319 D N 2.694 123.130 120.400 0.061 0.000 2.661 319 D HA 0.738 5.378 4.640 0.001 0.000 0.228 319 D C -1.451 174.865 176.300 0.025 0.000 1.210 319 D CA -0.130 53.879 54.000 0.014 0.000 0.826 319 D CB 2.274 42.937 40.800 -0.229 0.000 1.542 319 D HN 0.513 nan 8.370 nan 0.000 0.447 320 S N 1.048 116.799 115.700 0.085 0.000 2.565 320 S HA 0.201 4.671 4.470 0.001 0.000 0.274 320 S C -0.477 174.184 174.600 0.101 0.000 1.144 320 S CA -0.535 57.703 58.200 0.065 0.000 0.849 320 S CB 1.470 64.662 63.200 -0.012 0.000 1.103 320 S HN 0.484 nan 8.310 nan 0.000 0.455 321 E N 0.849 121.089 120.200 0.067 0.000 2.481 321 E HA 0.235 4.585 4.350 0.001 0.000 0.195 321 E C 0.593 177.234 176.600 0.069 0.000 1.047 321 E CA 0.398 56.831 56.400 0.055 0.000 0.867 321 E CB 0.359 30.081 29.700 0.036 0.000 0.858 321 E HN 0.563 nan 8.360 nan 0.000 0.513 322 A N 1.088 123.967 122.820 0.098 0.000 2.320 322 A HA 0.689 5.009 4.320 0.001 0.000 0.334 322 A C -0.223 177.478 177.584 0.195 0.000 1.147 322 A CA -0.540 51.563 52.037 0.111 0.000 0.820 322 A CB 1.029 20.082 19.000 0.089 0.000 1.218 322 A HN 0.143 nan 8.150 nan 0.000 0.482 323 A N 0.695 123.597 122.820 0.138 0.000 2.407 323 A HA 0.686 5.007 4.320 0.001 0.000 0.248 323 A C -0.324 177.388 177.584 0.213 0.000 1.082 323 A CA 0.098 52.198 52.037 0.106 0.000 0.785 323 A CB -0.408 18.603 19.000 0.019 0.000 1.020 323 A HN 1.787 nan 8.150 nan 0.000 0.489 324 F N -0.589 119.353 119.950 -0.014 0.000 2.668 324 F HA 0.777 5.305 4.527 0.001 0.000 0.309 324 F C -0.259 175.520 175.800 -0.036 0.000 1.117 324 F CA -0.315 57.675 58.000 -0.017 0.000 0.951 324 F CB 1.195 40.182 39.000 -0.023 0.000 1.323 324 F HN 0.717 nan 8.300 nan 0.000 0.451 325 T N 0.143 114.745 114.554 0.080 0.000 2.907 325 T HA 0.860 5.211 4.350 0.001 0.000 0.290 325 T C -1.685 173.055 174.700 0.067 0.000 1.066 325 T CA -0.814 61.267 62.100 -0.031 0.000 1.012 325 T CB 2.030 70.883 68.868 -0.025 0.000 1.184 325 T HN 0.757 nan 8.240 nan 0.000 0.522 326 L N 1.002 122.216 121.223 -0.015 0.000 2.422 326 L HA 0.807 5.148 4.340 0.001 0.000 0.264 326 L C -0.388 176.471 176.870 -0.019 0.000 0.984 326 L CA -0.633 54.197 54.840 -0.017 0.000 0.819 326 L CB 2.322 44.302 42.059 -0.130 0.000 1.330 326 L HN 1.075 nan 8.230 nan 0.000 0.410 327 R N 0.344 120.846 120.500 0.004 0.000 2.680 327 R HA 0.721 5.061 4.340 0.001 0.000 0.269 327 R C -1.166 175.143 176.300 0.014 0.000 1.026 327 R CA -0.610 55.490 56.100 0.001 0.000 0.889 327 R CB 1.603 31.907 30.300 0.006 0.000 1.241 327 R HN 0.468 nan 8.270 nan 0.000 0.463 328 S N 1.219 116.923 115.700 0.007 0.000 2.564 328 S HA 0.250 4.721 4.470 0.001 0.000 0.278 328 S C -1.677 172.941 174.600 0.030 0.000 1.333 328 S CA -1.338 56.875 58.200 0.022 0.000 1.048 328 S CB 0.845 64.053 63.200 0.014 0.000 0.900 328 S HN 0.603 nan 8.310 nan 0.000 0.505 329 P HA 0.211 nan 4.420 nan 0.000 0.237 329 P C -0.119 177.204 177.300 0.038 0.000 1.178 329 P CA 0.356 63.480 63.100 0.042 0.000 0.766 329 P CB 0.130 31.860 31.700 0.050 0.000 0.876 330 A N -0.234 122.608 122.820 0.036 0.000 2.420 330 A HA 0.653 4.973 4.320 0.001 0.000 0.291 330 A C 0.639 178.233 177.584 0.017 0.000 1.228 330 A CA -0.255 51.799 52.037 0.028 0.000 0.933 330 A CB -0.475 18.543 19.000 0.030 0.000 1.428 330 A HN 0.096 nan 8.150 nan 0.000 0.493 331 G N 0.137 108.944 108.800 0.010 0.000 2.340 331 G HA2 0.372 4.332 3.960 0.001 0.000 0.245 331 G HA3 0.372 4.332 3.960 0.001 0.000 0.245 331 G C -0.174 174.728 174.900 0.004 0.000 1.294 331 G CA 0.412 45.515 45.100 0.005 0.000 0.896 331 G HN 0.803 nan 8.290 nan 0.000 0.522 332 D N 0.137 120.538 120.400 0.002 0.000 2.493 332 D HA -0.009 4.632 4.640 0.001 0.000 0.240 332 D C 1.239 177.539 176.300 -0.001 0.000 1.142 332 D CA 0.639 54.638 54.000 -0.001 0.000 0.872 332 D CB 0.267 41.066 40.800 -0.002 0.000 1.173 332 D HN 0.619 nan 8.370 nan 0.000 0.467 333 N N 1.948 120.646 118.700 -0.003 0.000 2.039 333 N HA 0.212 4.953 4.740 0.001 0.000 0.228 333 N C 1.035 176.545 175.510 0.001 0.000 1.369 333 N CA -0.241 52.811 53.050 0.002 0.000 0.806 333 N CB 0.992 39.485 38.487 0.010 0.000 1.190 333 N HN 0.537 nan 8.380 nan 0.000 0.506 334 G N 0.456 109.249 108.800 -0.010 0.000 2.307 334 G HA2 -0.221 3.740 3.960 0.001 0.000 0.210 334 G HA3 -0.221 3.740 3.960 0.001 0.000 0.210 334 G C -0.254 174.622 174.900 -0.041 0.000 1.005 334 G CA 0.072 45.168 45.100 -0.007 0.000 0.634 334 G HN 0.171 nan 8.290 nan 0.000 0.496 335 V N 3.539 123.384 119.914 -0.116 0.000 2.383 335 V HA 0.427 4.548 4.120 0.001 0.000 0.275 335 V C -0.637 175.301 176.094 -0.260 0.000 1.036 335 V CA -0.649 61.436 62.300 -0.359 0.000 0.889 335 V CB 1.641 33.139 31.823 -0.542 0.000 0.985 335 V HN 0.239 nan 8.190 nan 0.000 0.459 336 P HA 0.059 nan 4.420 nan 0.000 0.252 336 P C -0.160 177.100 177.300 -0.066 0.000 1.265 336 P CA 0.573 63.615 63.100 -0.097 0.000 0.775 336 P CB 0.274 31.942 31.700 -0.053 0.000 1.128 337 L N -0.667 120.479 121.223 -0.129 0.000 2.333 337 L HA 0.825 5.166 4.340 0.001 0.000 0.263 337 L C -0.028 176.901 176.870 0.099 0.000 1.014 337 L CA -1.172 53.671 54.840 0.005 0.000 0.820 337 L CB 2.149 44.200 42.059 -0.014 0.000 1.352 337 L HN -0.218 nan 8.230 nan 0.000 0.421 338 A N 0.199 123.121 122.820 0.169 0.000 2.556 338 A HA 0.867 5.187 4.320 0.001 0.000 0.294 338 A C -0.697 177.000 177.584 0.188 0.000 1.091 338 A CA -0.480 51.661 52.037 0.173 0.000 0.704 338 A CB 2.034 21.092 19.000 0.097 0.000 1.300 338 A HN 0.661 nan 8.150 nan 0.000 0.406 339 T N -1.013 113.607 114.554 0.111 0.000 2.885 339 T HA 0.747 5.097 4.350 0.001 0.000 0.285 339 T C -0.564 174.171 174.700 0.058 0.000 1.019 339 T CA -0.428 61.715 62.100 0.072 0.000 1.010 339 T CB 0.906 69.737 68.868 -0.062 0.000 1.022 339 T HN 0.483 nan 8.240 nan 0.000 0.466 340 I N 2.202 122.836 120.570 0.107 0.000 2.355 340 I HA 0.684 4.854 4.170 0.001 0.000 0.288 340 I C 0.843 176.929 176.117 -0.052 0.000 0.999 340 I CA -0.294 61.075 61.300 0.114 0.000 1.163 340 I CB 0.910 39.048 38.000 0.229 0.000 1.316 340 I HN 1.188 nan 8.210 nan 0.000 0.454 341 G N 3.871 112.511 108.800 -0.267 0.000 2.332 341 G HA2 0.020 3.981 3.960 0.001 0.000 0.265 341 G HA3 0.020 3.981 3.960 0.001 0.000 0.265 341 G C -1.000 173.837 174.900 -0.105 0.000 1.329 341 G CA -0.785 43.929 45.100 -0.643 0.000 0.949 341 G HN 0.316 nan 8.290 nan 0.000 0.476 342 T N 1.941 116.445 114.554 -0.082 0.000 2.727 342 T HA 0.425 4.776 4.350 0.001 0.000 0.298 342 T C 1.132 175.719 174.700 -0.189 0.000 0.942 342 T CA -0.066 61.934 62.100 -0.167 0.000 0.997 342 T CB 0.520 69.355 68.868 -0.056 0.000 0.917 342 T HN 0.350 nan 8.240 nan 0.000 0.487 343 F N 1.410 121.178 119.950 -0.304 0.000 2.161 343 F HA 0.010 4.537 4.527 0.001 0.000 0.300 343 F C 1.466 177.168 175.800 -0.164 0.000 1.089 343 F CA 0.819 58.490 58.000 -0.549 0.000 1.282 343 F CB 0.152 38.669 39.000 -0.804 0.000 1.010 343 F HN 0.445 nan 8.300 nan 0.000 0.485 344 D N -1.810 118.614 120.400 0.039 0.000 2.648 344 D HA 0.320 4.960 4.640 0.001 0.000 0.244 344 D C -1.366 174.943 176.300 0.016 0.000 1.244 344 D CA -0.562 53.465 54.000 0.045 0.000 0.772 344 D CB 1.276 42.093 40.800 0.028 0.000 1.379 344 D HN 0.166 nan 8.370 nan 0.000 0.428 345 Q N -0.536 119.278 119.800 0.023 0.000 2.737 345 Q HA 0.775 5.115 4.340 0.001 0.000 0.307 345 Q C -1.592 174.415 176.000 0.012 0.000 0.905 345 Q CA -1.000 54.818 55.803 0.025 0.000 0.753 345 Q CB 1.751 30.526 28.738 0.062 0.000 1.463 345 Q HN 0.504 nan 8.270 nan 0.000 0.455 346 S N -1.174 114.534 115.700 0.013 0.000 2.597 346 S HA 0.444 4.915 4.470 0.001 0.000 0.274 346 S C -1.675 172.939 174.600 0.023 0.000 1.132 346 S CA -0.913 57.293 58.200 0.010 0.000 0.835 346 S CB 1.775 64.968 63.200 -0.010 0.000 1.092 346 S HN 0.812 nan 8.310 nan 0.000 0.457 347 E N 0.552 120.765 120.200 0.021 0.000 2.187 347 E HA 0.493 4.843 4.350 0.001 0.000 0.268 347 E C -1.966 174.661 176.600 0.046 0.000 0.896 347 E CA -0.768 55.642 56.400 0.017 0.000 0.766 347 E CB 1.260 30.919 29.700 -0.068 0.000 1.142 347 E HN 0.651 nan 8.360 nan 0.000 0.408 348 Y N 6.200 126.441 120.300 -0.097 0.000 2.353 348 Y HA 0.345 4.896 4.550 0.001 0.000 0.340 348 Y C -1.044 174.824 175.900 -0.053 0.000 0.972 348 Y CA -1.126 56.920 58.100 -0.091 0.000 1.157 348 Y CB 0.645 39.040 38.460 -0.109 0.000 1.157 348 Y HN 0.421 nan 8.280 nan 0.000 0.495 349 I N 7.080 127.329 120.570 -0.536 0.000 2.405 349 I HA 0.124 4.294 4.170 0.001 0.000 0.280 349 I C 0.483 176.088 176.117 -0.854 0.000 1.027 349 I CA -0.659 60.307 61.300 -0.557 0.000 1.161 349 I CB 1.027 38.747 38.000 -0.466 0.000 1.300 349 I HN 0.715 nan 8.210 nan 0.000 0.463 350 D N 3.722 123.586 120.400 -0.893 0.000 2.389 350 D HA -0.234 4.406 4.640 0.001 0.000 0.221 350 D C 1.137 177.315 176.300 -0.204 0.000 0.974 350 D CA 1.349 54.959 54.000 -0.651 0.000 0.923 350 D CB -0.342 40.315 40.800 -0.238 0.000 0.892 350 D HN 0.773 nan 8.370 nan 0.000 0.518 351 H N -2.776 116.147 119.070 -0.245 0.000 2.784 351 H HA 0.493 5.049 4.556 0.001 0.000 0.273 351 H C -0.090 175.159 175.328 -0.132 0.000 1.112 351 H CA -0.889 55.060 56.048 -0.166 0.000 1.162 351 H CB 0.304 29.956 29.762 -0.183 0.000 1.586 351 H HN -0.149 nan 8.280 nan 0.000 0.548 352 R N 0.931 121.197 120.500 -0.389 0.000 2.673 352 R HA 0.381 4.721 4.340 0.001 0.000 0.281 352 R C -2.935 173.265 176.300 -0.166 0.000 0.991 352 R CA -2.042 53.898 56.100 -0.266 0.000 0.896 352 R CB 1.581 31.667 30.300 -0.357 0.000 1.201 352 R HN 0.148 nan 8.270 nan 0.000 0.457 353 P HA 0.284 nan 4.420 nan 0.000 0.270 353 P C -0.619 176.654 177.300 -0.045 0.000 1.223 353 P CA -0.253 62.823 63.100 -0.039 0.000 0.785 353 P CB 0.844 32.532 31.700 -0.021 0.000 0.923 354 G N -0.079 108.715 108.800 -0.010 0.000 2.616 354 G HA2 0.378 4.338 3.960 0.001 0.000 0.294 354 G HA3 0.378 4.338 3.960 0.001 0.000 0.294 354 G C -1.563 173.343 174.900 0.010 0.000 1.489 354 G CA -0.863 44.231 45.100 -0.009 0.000 0.836 354 G HN 0.548 nan 8.290 nan 0.000 0.527 355 R N 0.803 121.303 120.500 0.001 0.000 2.537 355 R HA 0.314 4.654 4.340 0.001 0.000 0.280 355 R C -0.309 175.992 176.300 0.002 0.000 1.058 355 R CA -0.199 55.902 56.100 0.001 0.000 1.057 355 R CB 0.397 30.697 30.300 -0.001 0.000 0.973 355 R HN 0.340 nan 8.270 nan 0.000 0.438 356 R N 4.405 124.900 120.500 -0.009 0.000 2.604 356 R HA 0.174 4.514 4.340 0.001 0.000 0.287 356 R C 0.161 176.438 176.300 -0.039 0.000 0.970 356 R CA -0.932 55.150 56.100 -0.030 0.000 0.946 356 R CB 1.185 31.456 30.300 -0.049 0.000 1.127 356 R HN 0.730 nan 8.270 nan 0.000 0.473 357 M N 1.853 121.419 119.600 -0.057 0.000 2.249 357 M HA 0.002 4.483 4.480 0.001 0.000 0.340 357 M C -0.463 175.794 176.300 -0.073 0.000 1.166 357 M CA 0.982 56.244 55.300 -0.063 0.000 1.115 357 M CB 0.510 33.055 32.600 -0.092 0.000 1.606 357 M HN 0.382 nan 8.290 nan 0.000 0.448 358 Q N 1.655 121.420 119.800 -0.060 0.000 2.301 358 Q HA 0.374 4.715 4.340 0.001 0.000 0.267 358 Q C -0.182 175.762 176.000 -0.093 0.000 1.035 358 Q CA -0.486 55.281 55.803 -0.059 0.000 0.856 358 Q CB 2.121 30.843 28.738 -0.026 0.000 1.337 358 Q HN 0.784 nan 8.270 nan 0.000 0.450 359 T N -2.342 112.157 114.554 -0.091 0.000 3.313 359 T HA 0.132 4.482 4.350 0.001 0.000 0.263 359 T C -0.204 174.508 174.700 0.020 0.000 0.983 359 T CA -0.518 61.500 62.100 -0.137 0.000 0.963 359 T CB -0.168 68.624 68.868 -0.127 0.000 1.141 359 T HN 0.597 nan 8.240 nan 0.000 0.526 360 D N -1.338 119.077 120.400 0.025 0.000 2.431 360 D HA 0.017 4.658 4.640 0.001 0.000 0.213 360 D C 0.434 176.767 176.300 0.055 0.000 1.130 360 D CA -0.479 53.550 54.000 0.049 0.000 0.834 360 D CB -0.611 40.196 40.800 0.011 0.000 0.985 360 D HN 0.482 nan 8.370 nan 0.000 0.504 361 H N 2.967 122.021 119.070 -0.027 0.000 3.125 361 H HA -0.009 4.548 4.556 0.001 0.000 0.310 361 H C -1.175 174.109 175.328 -0.073 0.000 0.980 361 H CA -0.489 55.535 56.048 -0.040 0.000 1.422 361 H CB 1.313 31.023 29.762 -0.086 0.000 1.432 361 H HN -0.040 nan 8.280 nan 0.000 0.577 362 P HA -0.206 nan 4.420 nan 0.000 0.216 362 P C 0.858 178.209 177.300 0.085 0.000 1.154 362 P CA 1.333 64.430 63.100 -0.006 0.000 0.865 362 P CB 0.495 32.170 31.700 -0.041 0.000 0.789 363 D N -1.321 119.256 120.400 0.295 0.000 2.149 363 D HA -0.155 4.486 4.640 0.001 0.000 0.201 363 D C 2.103 178.159 176.300 -0.407 0.000 0.972 363 D CA 0.862 54.958 54.000 0.161 0.000 0.835 363 D CB -0.974 40.088 40.800 0.435 0.000 0.966 363 D HN 0.288 nan 8.370 nan 0.000 0.476 364 Y N 1.872 121.593 120.300 -0.965 0.000 2.181 364 Y HA -0.201 4.349 4.550 0.001 0.000 0.288 364 Y C 2.158 177.750 175.900 -0.513 0.000 1.146 364 Y CA 1.447 58.833 58.100 -1.189 0.000 1.164 364 Y CB 0.206 37.883 38.460 -1.305 0.000 0.982 364 Y HN -0.223 nan 8.280 nan 0.000 0.515 365 R N 0.279 120.480 120.500 -0.499 0.000 2.115 365 R HA 0.005 4.346 4.340 0.001 0.000 0.226 365 R C 2.281 178.361 176.300 -0.367 0.000 1.100 365 R CA 1.107 56.937 56.100 -0.451 0.000 0.980 365 R CB -0.942 29.240 30.300 -0.197 0.000 0.875 365 R HN 0.517 nan 8.270 nan 0.000 0.445 366 A N 0.885 123.539 122.820 -0.277 0.000 1.943 366 A HA -0.019 4.302 4.320 0.001 0.000 0.213 366 A C 2.054 179.441 177.584 -0.327 0.000 1.181 366 A CA 0.166 52.088 52.037 -0.191 0.000 0.653 366 A CB -0.390 18.609 19.000 -0.001 0.000 0.833 366 A HN 0.150 nan 8.150 nan 0.000 0.451 367 L N 0.938 121.822 121.223 -0.566 0.000 2.040 367 L HA -0.194 4.146 4.340 0.001 0.000 0.228 367 L C -0.676 175.728 176.870 -0.777 0.000 1.092 367 L CA 3.071 57.342 54.840 -0.947 0.000 0.805 367 L CB -1.688 39.698 42.059 -1.122 0.000 0.905 367 L HN 0.165 nan 8.230 nan 0.000 0.443 368 P HA -0.201 nan 4.420 nan 0.000 0.214 368 P C 1.354 178.328 177.300 -0.544 0.000 1.172 368 P CA 2.029 64.519 63.100 -1.016 0.000 0.925 368 P CB -0.039 30.679 31.700 -1.637 0.000 0.793 369 E N -1.210 118.773 120.200 -0.361 0.000 2.285 369 E HA 0.023 4.373 4.350 0.001 0.000 0.194 369 E C 1.956 178.509 176.600 -0.078 0.000 0.997 369 E CA 0.945 57.270 56.400 -0.126 0.000 0.845 369 E CB -0.882 28.790 29.700 -0.046 0.000 0.782 369 E HN 0.162 nan 8.360 nan 0.000 0.491 370 A N 0.192 122.953 122.820 -0.098 0.000 2.167 370 A HA 0.345 4.665 4.320 0.001 0.000 0.214 370 A C 1.270 178.917 177.584 0.104 0.000 1.151 370 A CA 0.893 52.957 52.037 0.045 0.000 0.735 370 A CB 0.137 19.243 19.000 0.176 0.000 0.802 370 A HN 0.128 nan 8.150 nan 0.000 0.467 371 A N 0.196 123.008 122.820 -0.013 0.000 3.216 371 A HA 0.570 4.891 4.320 0.001 0.000 0.321 371 A C -1.671 175.898 177.584 -0.026 0.000 1.042 371 A CA -0.786 51.266 52.037 0.025 0.000 0.838 371 A CB 0.490 19.503 19.000 0.021 0.000 1.136 371 A HN 0.155 nan 8.150 nan 0.000 0.483 372 P HA -0.022 nan 4.420 nan 0.000 0.237 372 P C 0.561 177.874 177.300 0.021 0.000 1.178 372 P CA 1.352 64.462 63.100 0.016 0.000 0.766 372 P CB 0.112 31.829 31.700 0.029 0.000 0.876 373 T N -5.816 108.749 114.554 0.019 0.000 2.883 373 T HA 0.667 5.017 4.350 0.001 0.000 0.296 373 T C 1.092 175.807 174.700 0.024 0.000 1.117 373 T CA -0.231 61.878 62.100 0.016 0.000 1.006 373 T CB 1.564 70.437 68.868 0.008 0.000 1.191 373 T HN -0.141 nan 8.240 nan 0.000 0.508 374 A N 0.566 123.399 122.820 0.022 0.000 2.019 374 A HA 0.309 4.630 4.320 0.001 0.000 0.219 374 A C 2.460 180.066 177.584 0.038 0.000 1.164 374 A CA 1.804 53.860 52.037 0.031 0.000 0.644 374 A CB -1.412 17.604 19.000 0.026 0.000 0.805 374 A HN 1.280 nan 8.150 nan 0.000 0.449 375 A N 0.068 122.904 122.820 0.028 0.000 1.855 375 A HA 0.183 4.504 4.320 0.001 0.000 0.215 375 A C 2.498 180.106 177.584 0.040 0.000 1.191 375 A CA 1.945 53.998 52.037 0.026 0.000 0.613 375 A CB -1.116 17.893 19.000 0.015 0.000 0.829 375 A HN 1.096 nan 8.150 nan 0.000 0.442 376 A N -0.890 121.958 122.820 0.048 0.000 2.076 376 A HA -0.040 4.281 4.320 0.001 0.000 0.220 376 A C 2.019 179.685 177.584 0.137 0.000 1.160 376 A CA 1.633 53.712 52.037 0.071 0.000 0.653 376 A CB -0.526 18.516 19.000 0.071 0.000 0.801 376 A HN 0.579 nan 8.150 nan 0.000 0.455 377 L N -0.213 121.094 121.223 0.140 0.000 2.275 377 L HA -0.085 4.255 4.340 0.001 0.000 0.215 377 L C 1.993 178.993 176.870 0.216 0.000 1.119 377 L CA 1.549 56.522 54.840 0.221 0.000 0.790 377 L CB -0.463 41.668 42.059 0.119 0.000 0.919 377 L HN 0.326 nan 8.230 nan 0.000 0.443 378 E N -0.009 120.256 120.200 0.109 0.000 2.171 378 E HA -0.215 4.136 4.350 0.001 0.000 0.197 378 E C 2.121 178.734 176.600 0.023 0.000 0.997 378 E CA 1.207 57.643 56.400 0.061 0.000 0.810 378 E CB -0.355 29.360 29.700 0.024 0.000 0.738 378 E HN 0.605 nan 8.360 nan 0.000 0.467 379 A N -0.331 122.465 122.820 -0.039 0.000 2.172 379 A HA -0.078 4.242 4.320 0.001 0.000 0.216 379 A C 1.238 178.590 177.584 -0.386 0.000 1.154 379 A CA 0.680 52.566 52.037 -0.251 0.000 0.701 379 A CB -0.372 18.384 19.000 -0.405 0.000 0.789 379 A HN 0.140 nan 8.150 nan 0.000 0.465 380 F N -1.712 118.307 119.950 0.116 0.000 2.683 380 F HA 0.404 4.931 4.527 0.001 0.000 0.306 380 F C 2.025 177.934 175.800 0.182 0.000 1.102 380 F CA -0.164 57.971 58.000 0.226 0.000 1.244 380 F CB -0.129 39.013 39.000 0.237 0.000 1.029 380 F HN 0.177 nan 8.300 nan 0.000 0.545 381 A N 0.491 123.428 122.820 0.194 0.000 1.971 381 A HA -0.321 3.999 4.320 0.001 0.000 0.222 381 A C 2.427 180.040 177.584 0.049 0.000 1.182 381 A CA 2.564 54.664 52.037 0.106 0.000 0.649 381 A CB -1.113 17.910 19.000 0.038 0.000 0.818 381 A HN 0.429 nan 8.150 nan 0.000 0.458 382 S N -2.288 113.396 115.700 -0.026 0.000 2.442 382 S HA -0.198 4.272 4.470 0.001 0.000 0.236 382 S C 1.511 175.935 174.600 -0.293 0.000 1.007 382 S CA 1.198 59.269 58.200 -0.215 0.000 0.965 382 S CB -0.712 62.267 63.200 -0.368 0.000 0.773 382 S HN 0.771 nan 8.310 nan 0.000 0.504 383 W N 1.367 122.674 121.300 0.011 0.000 2.996 383 W HA 0.402 5.063 4.660 0.001 0.000 0.270 383 W C -0.062 176.408 176.519 -0.083 0.000 1.280 383 W CA -0.569 56.719 57.345 -0.094 0.000 1.549 383 W CB 0.173 29.572 29.460 -0.101 0.000 1.079 383 W HN -0.031 nan 8.180 nan 0.000 0.629 384 V N 3.683 123.705 119.914 0.180 0.000 2.405 384 V HA 0.117 4.237 4.120 0.001 0.000 0.264 384 V C 0.236 176.357 176.094 0.045 0.000 1.048 384 V CA -0.291 62.075 62.300 0.110 0.000 0.966 384 V CB -0.309 31.579 31.823 0.108 0.000 1.015 384 V HN -0.121 nan 8.190 nan 0.000 0.477 385 K N 6.706 127.120 120.400 0.024 0.000 2.267 385 K HA 0.596 4.916 4.320 0.001 0.000 0.246 385 K C -2.760 173.838 176.600 -0.003 0.000 0.954 385 K CA -2.163 54.117 56.287 -0.013 0.000 0.824 385 K CB 2.420 34.887 32.500 -0.054 0.000 1.167 385 K HN 0.272 nan 8.250 nan 0.000 0.431 386 P HA 0.180 nan 4.420 nan 0.000 0.274 386 P C -0.727 176.586 177.300 0.021 0.000 1.237 386 P CA -0.381 62.733 63.100 0.024 0.000 0.793 386 P CB 0.520 32.227 31.700 0.013 0.000 0.977 387 F N 0.992 120.907 119.950 -0.058 0.000 2.424 387 F HA 0.148 4.675 4.527 0.001 0.000 0.356 387 F C 1.300 177.077 175.800 -0.038 0.000 1.110 387 F CA -0.446 57.521 58.000 -0.055 0.000 1.161 387 F CB 0.625 39.563 39.000 -0.103 0.000 1.115 387 F HN 0.343 nan 8.300 nan 0.000 0.507 388 E N 7.814 128.043 120.200 0.049 0.000 2.498 388 E HA -0.022 4.328 4.350 0.001 0.000 0.252 388 E C -1.807 174.951 176.600 0.263 0.000 1.025 388 E CA -1.213 55.250 56.400 0.105 0.000 0.938 388 E CB 0.905 30.615 29.700 0.016 0.000 0.947 388 E HN 0.438 nan 8.360 nan 0.000 0.478 389 P HA -0.260 nan 4.420 nan 0.000 0.216 389 P C 1.209 178.628 177.300 0.198 0.000 1.157 389 P CA 1.889 65.100 63.100 0.184 0.000 0.880 389 P CB 0.094 31.857 31.700 0.104 0.000 0.791 390 S N -1.410 114.376 115.700 0.142 0.000 2.507 390 S HA -0.056 4.414 4.470 0.001 0.000 0.235 390 S C 1.452 176.142 174.600 0.150 0.000 0.988 390 S CA 0.841 59.105 58.200 0.106 0.000 0.944 390 S CB -1.253 61.985 63.200 0.064 0.000 0.762 390 S HN 0.126 nan 8.310 nan 0.000 0.526 391 L N -0.218 121.155 121.223 0.250 0.000 2.700 391 L HA 0.474 4.814 4.340 0.001 0.000 0.234 391 L C -0.135 176.986 176.870 0.417 0.000 1.156 391 L CA -0.309 54.723 54.840 0.320 0.000 0.946 391 L CB -0.099 42.158 42.059 0.330 0.000 1.216 391 L HN 0.357 nan 8.230 nan 0.000 0.493 392 Y N -0.242 120.142 120.300 0.141 0.000 2.492 392 Y HA 0.583 5.134 4.550 0.001 0.000 0.346 392 Y C -0.646 175.234 175.900 -0.033 0.000 0.997 392 Y CA -0.644 57.439 58.100 -0.028 0.000 1.025 392 Y CB 2.228 40.589 38.460 -0.166 0.000 1.263 392 Y HN -0.178 nan 8.280 nan 0.000 0.454 393 T N 4.205 118.311 114.554 -0.746 0.000 3.012 393 T HA 0.269 4.620 4.350 0.001 0.000 0.330 393 T C -0.551 173.750 174.700 -0.664 0.000 1.321 393 T CA -0.496 61.286 62.100 -0.529 0.000 1.067 393 T CB 1.508 70.240 68.868 -0.226 0.000 1.235 393 T HN 0.868 nan 8.240 nan 0.000 0.479 394 E N 1.736 121.680 120.200 -0.428 0.000 2.463 394 E HA 0.126 4.476 4.350 0.001 0.000 0.193 394 E C -0.217 176.247 176.600 -0.227 0.000 1.041 394 E CA 0.080 56.274 56.400 -0.343 0.000 0.879 394 E CB 0.486 30.094 29.700 -0.154 0.000 0.997 394 E HN 0.577 nan 8.360 nan 0.000 0.478 395 E N 1.766 121.857 120.200 -0.181 0.000 2.136 395 E HA 0.112 4.462 4.350 0.001 0.000 0.246 395 E C -0.629 175.909 176.600 -0.103 0.000 1.017 395 E CA -0.324 56.006 56.400 -0.118 0.000 0.883 395 E CB 0.153 29.802 29.700 -0.084 0.000 1.199 395 E HN -0.050 nan 8.360 nan 0.000 0.447 396 N N 2.622 121.254 118.700 -0.115 0.000 2.707 396 N HA 0.065 4.805 4.740 0.001 0.000 0.235 396 N C 0.469 175.940 175.510 -0.066 0.000 1.028 396 N CA -0.300 52.715 53.050 -0.058 0.000 0.906 396 N CB 1.042 39.495 38.487 -0.058 0.000 1.131 396 N HN 0.075 nan 8.380 nan 0.000 0.509 397 V N 2.863 122.747 119.914 -0.049 0.000 2.343 397 V HA -0.188 3.932 4.120 0.001 0.000 0.247 397 V C 1.815 177.766 176.094 -0.239 0.000 1.051 397 V CA 1.473 63.704 62.300 -0.114 0.000 1.036 397 V CB -0.911 30.869 31.823 -0.072 0.000 0.654 397 V HN 0.591 nan 8.190 nan 0.000 0.451 398 F N 2.036 121.764 119.950 -0.370 0.000 2.051 398 F HA -0.076 4.452 4.527 0.001 0.000 0.296 398 F C 2.276 177.721 175.800 -0.592 0.000 1.122 398 F CA 1.891 59.510 58.000 -0.635 0.000 1.201 398 F CB -0.977 37.714 39.000 -0.515 0.000 0.978 398 F HN 0.147 nan 8.300 nan 0.000 0.472 399 G N -1.094 107.499 108.800 -0.346 0.000 2.442 399 G HA2 -0.240 3.721 3.960 0.001 0.000 0.219 399 G HA3 -0.240 3.721 3.960 0.001 0.000 0.219 399 G C 1.723 176.444 174.900 -0.298 0.000 1.141 399 G CA 1.014 45.926 45.100 -0.314 0.000 0.763 399 G HN 0.434 nan 8.290 nan 0.000 0.554 400 S N 0.335 115.863 115.700 -0.286 0.000 2.481 400 S HA -0.023 4.447 4.470 0.001 0.000 0.231 400 S C 2.050 176.467 174.600 -0.305 0.000 0.996 400 S CA 0.465 58.508 58.200 -0.261 0.000 0.942 400 S CB -0.085 62.989 63.200 -0.210 0.000 0.768 400 S HN 0.408 nan 8.310 nan 0.000 0.520 401 N N 0.615 119.031 118.700 -0.474 0.000 2.439 401 N HA 0.103 4.843 4.740 0.001 0.000 0.176 401 N C 1.613 176.774 175.510 -0.581 0.000 1.029 401 N CA 0.590 53.334 53.050 -0.510 0.000 0.886 401 N CB 0.091 38.159 38.487 -0.699 0.000 1.057 401 N HN 0.170 nan 8.380 nan 0.000 0.437 402 V N -0.029 119.364 119.914 -0.868 0.000 2.358 402 V HA -0.121 4.000 4.120 0.001 0.000 0.246 402 V C 0.391 176.347 176.094 -0.229 0.000 1.047 402 V CA 0.934 62.677 62.300 -0.929 0.000 1.035 402 V CB -0.121 31.127 31.823 -0.958 0.000 0.658 402 V HN 0.366 nan 8.190 nan 0.000 0.452 403 W N 2.188 123.312 121.300 -0.293 0.000 2.336 403 W HA 0.542 5.203 4.660 0.001 0.000 0.315 403 W C -0.268 176.169 176.519 -0.137 0.000 1.016 403 W CA -1.758 55.521 57.345 -0.111 0.000 1.318 403 W CB 0.417 29.914 29.460 0.063 0.000 1.247 403 W HN -0.026 nan 8.180 nan 0.000 0.414 404 R N 3.395 123.931 120.500 0.061 0.000 2.310 404 R HA 0.212 4.553 4.340 0.001 0.000 0.324 404 R C 1.436 177.661 176.300 -0.124 0.000 0.955 404 R CA 0.076 56.102 56.100 -0.125 0.000 0.830 404 R CB 1.409 31.675 30.300 -0.057 0.000 1.154 404 R HN 0.504 nan 8.270 nan 0.000 0.458 405 T N 0.181 114.545 114.554 -0.318 0.000 3.007 405 T HA -0.039 4.311 4.350 0.001 0.000 0.270 405 T C 0.602 175.249 174.700 -0.088 0.000 1.107 405 T CA 0.534 62.510 62.100 -0.207 0.000 1.118 405 T CB 0.005 68.687 68.868 -0.309 0.000 0.889 405 T HN 0.279 nan 8.240 nan 0.000 0.506 406 L N 0.239 121.404 121.223 -0.096 0.000 2.493 406 L HA 0.734 5.074 4.340 0.001 0.000 0.265 406 L C -1.710 175.120 176.870 -0.066 0.000 0.954 406 L CA -1.026 53.769 54.840 -0.074 0.000 0.844 406 L CB 1.979 43.983 42.059 -0.092 0.000 1.302 406 L HN 0.099 nan 8.230 nan 0.000 0.405 407 A N 4.168 126.958 122.820 -0.049 0.000 2.679 407 A HA 0.575 4.895 4.320 0.001 0.000 0.288 407 A C -1.034 176.522 177.584 -0.046 0.000 1.160 407 A CA -0.383 51.633 52.037 -0.034 0.000 0.763 407 A CB 0.627 19.630 19.000 0.005 0.000 1.270 407 A HN 0.690 nan 8.150 nan 0.000 0.417 408 E N 2.817 122.964 120.200 -0.088 0.000 2.141 408 E HA 0.283 4.633 4.350 0.001 0.000 0.259 408 E C -0.415 176.129 176.600 -0.093 0.000 0.883 408 E CA -0.710 55.630 56.400 -0.100 0.000 0.744 408 E CB 0.673 30.279 29.700 -0.158 0.000 1.150 408 E HN 0.624 nan 8.360 nan 0.000 0.420 409 R N 3.298 123.771 120.500 -0.044 0.000 2.537 409 R HA 0.240 4.581 4.340 0.001 0.000 0.280 409 R C -0.088 176.203 176.300 -0.015 0.000 1.058 409 R CA -0.031 56.056 56.100 -0.021 0.000 1.057 409 R CB 0.529 30.826 30.300 -0.005 0.000 0.973 409 R HN 0.419 nan 8.270 nan 0.000 0.438 410 R N 0.712 121.221 120.500 0.015 0.000 2.807 410 R HA 0.403 4.744 4.340 0.001 0.000 0.276 410 R C -0.590 175.741 176.300 0.052 0.000 0.979 410 R CA -1.024 55.104 56.100 0.047 0.000 0.928 410 R CB 1.824 32.195 30.300 0.119 0.000 1.191 410 R HN 0.694 nan 8.270 nan 0.000 0.471 411 A N 1.606 124.455 122.820 0.048 0.000 2.498 411 A HA 0.236 4.557 4.320 0.001 0.000 0.239 411 A C 0.157 177.768 177.584 0.044 0.000 1.068 411 A CA -0.289 51.771 52.037 0.038 0.000 0.766 411 A CB 0.242 19.261 19.000 0.032 0.000 1.003 411 A HN 0.387 nan 8.150 nan 0.000 0.497 412 V N 5.022 124.955 119.914 0.032 0.000 2.470 412 V HA 0.199 4.320 4.120 0.001 0.000 0.276 412 V C -1.842 174.266 176.094 0.023 0.000 1.040 412 V CA -0.816 61.501 62.300 0.029 0.000 1.008 412 V CB 0.452 32.288 31.823 0.021 0.000 0.990 412 V HN 0.814 nan 8.190 nan 0.000 0.477 413 P HA 0.258 nan 4.420 nan 0.000 0.275 413 P C 0.658 177.962 177.300 0.006 0.000 1.227 413 P CA -0.584 62.522 63.100 0.010 0.000 0.781 413 P CB 0.713 32.413 31.700 -0.000 0.000 0.906 414 R N 2.562 123.065 120.500 0.005 0.000 2.103 414 R HA -0.182 4.158 4.340 0.001 0.000 0.242 414 R C 2.057 178.357 176.300 0.000 0.000 1.142 414 R CA 2.444 58.546 56.100 0.004 0.000 0.960 414 R CB -1.371 28.931 30.300 0.003 0.000 0.858 414 R HN 0.454 nan 8.270 nan 0.000 0.439 415 S N -0.740 114.957 115.700 -0.006 0.000 2.374 415 S HA -0.129 4.341 4.470 0.001 0.000 0.227 415 S C 1.906 176.500 174.600 -0.010 0.000 1.037 415 S CA 1.664 59.856 58.200 -0.012 0.000 1.024 415 S CB -0.410 62.777 63.200 -0.021 0.000 0.861 415 S HN 0.229 nan 8.310 nan 0.000 0.456 416 V N 2.428 122.338 119.914 -0.007 0.000 2.469 416 V HA -0.169 3.952 4.120 0.001 0.000 0.251 416 V C 2.343 178.446 176.094 0.013 0.000 1.064 416 V CA 1.758 64.057 62.300 -0.001 0.000 1.066 416 V CB -0.864 30.959 31.823 0.001 0.000 0.667 416 V HN 0.520 nan 8.190 nan 0.000 0.461 417 L N 0.144 121.376 121.223 0.015 0.000 2.127 417 L HA -0.230 4.111 4.340 0.001 0.000 0.211 417 L C 2.190 179.078 176.870 0.031 0.000 1.089 417 L CA 1.881 56.736 54.840 0.025 0.000 0.757 417 L CB -0.979 41.091 42.059 0.019 0.000 0.899 417 L HN 0.483 nan 8.230 nan 0.000 0.434 418 N N 0.147 118.858 118.700 0.019 0.000 2.348 418 N HA -0.175 4.566 4.740 0.001 0.000 0.185 418 N C 1.890 177.432 175.510 0.053 0.000 1.019 418 N CA 0.825 53.887 53.050 0.020 0.000 0.880 418 N CB -0.134 38.351 38.487 -0.004 0.000 0.965 418 N HN 0.357 nan 8.380 nan 0.000 0.437 419 A N 1.371 124.228 122.820 0.061 0.000 2.070 419 A HA -0.093 4.227 4.320 0.001 0.000 0.220 419 A C 1.893 179.583 177.584 0.178 0.000 1.159 419 A CA 0.933 53.033 52.037 0.105 0.000 0.656 419 A CB -0.590 18.455 19.000 0.075 0.000 0.800 419 A HN 0.520 nan 8.150 nan 0.000 0.453 420 I N -3.811 116.857 120.570 0.162 0.000 4.025 420 I HA 0.427 4.597 4.170 0.001 0.000 0.336 420 I C -0.403 175.856 176.117 0.237 0.000 1.390 420 I CA -0.333 61.110 61.300 0.238 0.000 1.099 420 I CB 0.134 38.237 38.000 0.172 0.000 1.049 420 I HN -0.059 nan 8.210 nan 0.000 0.394 421 L N 3.176 124.466 121.223 0.112 0.000 2.334 421 L HA 0.546 4.886 4.340 0.001 0.000 0.276 421 L C -2.268 174.465 176.870 -0.227 0.000 1.014 421 L CA -1.790 53.009 54.840 -0.069 0.000 0.815 421 L CB 1.798 43.831 42.059 -0.044 0.000 1.268 421 L HN -0.088 nan 8.230 nan 0.000 0.428 422 P HA 0.114 nan 4.420 nan 0.000 0.231 422 P C -0.806 176.368 177.300 -0.210 0.000 1.811 422 P CA 0.000 62.761 63.100 -0.565 0.000 1.051 422 P CB 0.135 31.311 31.700 -0.873 0.000 1.951 423 V N -0.012 119.847 119.914 -0.091 0.000 3.102 423 V HA 0.587 4.708 4.120 0.001 0.000 0.312 423 V C -1.586 174.518 176.094 0.017 0.000 1.135 423 V CA -2.132 60.146 62.300 -0.036 0.000 1.022 423 V CB 1.614 33.418 31.823 -0.032 0.000 1.056 423 V HN -0.072 nan 8.190 nan 0.000 0.436 424 P HA 0.030 nan 4.420 nan 0.000 0.220 424 P C 0.207 177.543 177.300 0.059 0.000 1.152 424 P CA 0.696 63.830 63.100 0.056 0.000 0.812 424 P CB 0.253 31.977 31.700 0.039 0.000 0.792 425 E N 2.761 122.973 120.200 0.020 0.000 2.324 425 E HA 0.166 4.516 4.350 0.001 0.000 0.271 425 E C -1.988 174.584 176.600 -0.046 0.000 1.028 425 E CA -1.813 54.582 56.400 -0.008 0.000 0.890 425 E CB -0.185 29.508 29.700 -0.012 0.000 1.004 425 E HN 0.376 nan 8.360 nan 0.000 0.431 426 P HA 0.146 nan 4.420 nan 0.000 0.276 426 P C -0.235 176.986 177.300 -0.131 0.000 1.261 426 P CA -0.639 62.309 63.100 -0.254 0.000 0.800 426 P CB 0.835 32.136 31.700 -0.664 0.000 1.066 427 G N -0.098 108.644 108.800 -0.097 0.000 2.322 427 G HA2 0.450 4.410 3.960 0.001 0.000 0.309 427 G HA3 0.450 4.410 3.960 0.001 0.000 0.309 427 G C -0.627 174.239 174.900 -0.058 0.000 1.121 427 G CA -0.462 44.609 45.100 -0.048 0.000 0.886 427 G HN 0.293 nan 8.290 nan 0.000 0.447 428 V N 4.071 123.953 119.914 -0.053 0.000 2.364 428 V HA 0.205 4.325 4.120 0.001 0.000 0.272 428 V C -0.016 176.043 176.094 -0.058 0.000 1.036 428 V CA -0.762 61.505 62.300 -0.053 0.000 0.880 428 V CB 0.882 32.675 31.823 -0.050 0.000 0.991 428 V HN 0.481 nan 8.190 nan 0.000 0.460 429 L N 9.024 130.209 121.223 -0.063 0.000 2.349 429 L HA 0.428 4.768 4.340 0.001 0.000 0.275 429 L C -1.633 175.145 176.870 -0.154 0.000 1.115 429 L CA -1.472 53.314 54.840 -0.090 0.000 0.820 429 L CB 0.395 42.410 42.059 -0.074 0.000 1.135 429 L HN 0.457 nan 8.230 nan 0.000 0.445 430 P HA 0.120 nan 4.420 nan 0.000 0.275 430 P C -0.976 175.995 177.300 -0.548 0.000 1.228 430 P CA -0.260 62.611 63.100 -0.382 0.000 0.786 430 P CB 1.114 32.532 31.700 -0.470 0.000 0.927 431 V N 4.087 123.740 119.914 -0.435 0.000 2.370 431 V HA 0.290 4.410 4.120 0.001 0.000 0.283 431 V C 0.207 176.092 176.094 -0.349 0.000 1.023 431 V CA -0.394 61.706 62.300 -0.334 0.000 0.857 431 V CB 0.164 31.901 31.823 -0.144 0.000 0.985 431 V HN 0.380 nan 8.190 nan 0.000 0.443 432 F N 2.126 122.073 119.950 -0.005 0.000 2.385 432 F HA 0.307 4.834 4.527 0.001 0.000 0.336 432 F C 1.536 177.332 175.800 -0.007 0.000 1.100 432 F CA -0.190 57.807 58.000 -0.006 0.000 1.116 432 F CB 1.320 40.315 39.000 -0.008 0.000 1.166 432 F HN 0.585 nan 8.300 nan 0.000 0.511 433 E N 0.776 121.091 120.200 0.191 0.000 2.106 433 E HA -0.224 4.126 4.350 0.001 0.000 0.192 433 E C -0.156 176.494 176.600 0.083 0.000 0.984 433 E CA 1.082 57.541 56.400 0.098 0.000 0.806 433 E CB 0.186 29.929 29.700 0.071 0.000 0.750 433 E HN 0.553 nan 8.360 nan 0.000 0.458 434 D N -0.636 119.819 120.400 0.091 0.000 2.375 434 D HA 0.416 5.057 4.640 0.001 0.000 0.259 434 D C -0.836 175.480 176.300 0.027 0.000 1.235 434 D CA 0.420 54.445 54.000 0.042 0.000 0.924 434 D CB 0.812 41.618 40.800 0.010 0.000 1.143 434 D HN 0.300 nan 8.370 nan 0.000 0.529 435 G N 2.097 110.928 108.800 0.052 0.000 2.339 435 G HA2 0.146 4.106 3.960 0.001 0.000 0.381 435 G HA3 0.146 4.106 3.960 0.001 0.000 0.381 435 G C -1.421 173.551 174.900 0.121 0.000 1.400 435 G CA -0.984 44.133 45.100 0.028 0.000 1.002 435 G HN 0.236 nan 8.290 nan 0.000 0.633 436 D N -1.330 119.123 120.400 0.088 0.000 2.387 436 D HA 0.539 5.180 4.640 0.001 0.000 0.255 436 D C -0.147 176.306 176.300 0.256 0.000 1.081 436 D CA -0.152 53.927 54.000 0.132 0.000 0.994 436 D CB 1.789 42.618 40.800 0.049 0.000 1.127 436 D HN 0.610 nan 8.370 nan 0.000 0.513 437 C N 1.012 120.450 119.300 0.231 0.000 2.251 437 C HA 0.319 4.780 4.460 0.001 0.000 0.323 437 C C -0.045 175.035 174.990 0.151 0.000 1.241 437 C CA -0.487 58.701 59.018 0.283 0.000 1.601 437 C CB -0.939 26.875 27.740 0.124 0.000 2.251 437 C HN 0.484 nan 8.230 nan 0.000 0.488 438 E N 5.091 125.382 120.200 0.152 0.000 2.134 438 E HA 0.532 4.883 4.350 0.001 0.000 0.278 438 E C -1.511 175.128 176.600 0.066 0.000 0.959 438 E CA -0.549 55.914 56.400 0.105 0.000 0.783 438 E CB 0.882 30.660 29.700 0.129 0.000 1.095 438 E HN 0.639 nan 8.360 nan 0.000 0.399 439 L N 4.631 125.866 121.223 0.021 0.000 2.322 439 L HA 0.332 4.672 4.340 0.001 0.000 0.281 439 L C -0.729 176.066 176.870 -0.125 0.000 1.014 439 L CA -0.796 54.027 54.840 -0.029 0.000 0.815 439 L CB 1.957 44.006 42.059 -0.017 0.000 1.247 439 L HN 0.398 nan 8.230 nan 0.000 0.421 440 V N 5.219 125.013 119.914 -0.201 0.000 2.311 440 V HA 0.402 4.523 4.120 0.001 0.000 0.275 440 V C -0.011 175.987 176.094 -0.160 0.000 1.022 440 V CA -0.551 61.523 62.300 -0.378 0.000 0.830 440 V CB 1.231 32.720 31.823 -0.557 0.000 1.012 440 V HN 0.396 nan 8.190 nan 0.000 0.452 441 I N 3.895 124.408 120.570 -0.095 0.000 2.331 441 I HA 0.361 4.531 4.170 0.001 0.000 0.292 441 I C 0.011 176.164 176.117 0.060 0.000 0.998 441 I CA -0.245 61.060 61.300 0.009 0.000 1.267 441 I CB 1.428 39.454 38.000 0.042 0.000 1.386 441 I HN 0.534 nan 8.210 nan 0.000 0.476 442 D N 6.517 126.957 120.400 0.065 0.000 2.329 442 D HA 0.261 4.901 4.640 0.001 0.000 0.232 442 D C 0.971 177.255 176.300 -0.026 0.000 1.088 442 D CA -0.357 53.655 54.000 0.020 0.000 0.835 442 D CB 1.252 42.101 40.800 0.082 0.000 1.078 442 D HN 0.390 nan 8.370 nan 0.000 0.495 443 L N 3.060 124.231 121.223 -0.086 0.000 2.362 443 L HA 0.065 4.405 4.340 0.001 0.000 0.219 443 L C 1.860 178.687 176.870 -0.071 0.000 1.134 443 L CA 0.958 55.762 54.840 -0.061 0.000 0.807 443 L CB -0.299 41.685 42.059 -0.125 0.000 0.927 443 L HN 0.786 nan 8.230 nan 0.000 0.447 444 G N -0.637 108.091 108.800 -0.120 0.000 2.254 444 G HA2 -0.168 3.792 3.960 0.001 0.000 0.225 444 G HA3 -0.168 3.792 3.960 0.001 0.000 0.225 444 G C 0.188 175.035 174.900 -0.089 0.000 1.003 444 G CA 0.045 45.100 45.100 -0.074 0.000 0.622 444 G HN 0.706 nan 8.290 nan 0.000 0.507 445 A N -0.876 121.872 122.820 -0.120 0.000 2.566 445 A HA 0.751 5.071 4.320 0.001 0.000 0.290 445 A C -0.476 177.072 177.584 -0.060 0.000 1.071 445 A CA 0.566 52.562 52.037 -0.070 0.000 0.658 445 A CB 0.734 19.673 19.000 -0.103 0.000 1.285 445 A HN 1.199 nan 8.150 nan 0.000 0.427 446 E N 0.527 120.763 120.200 0.059 0.000 2.413 446 E HA 0.472 4.822 4.350 0.001 0.000 0.263 446 E C 0.017 176.636 176.600 0.032 0.000 1.015 446 E CA 0.565 56.978 56.400 0.022 0.000 0.916 446 E CB 0.402 30.176 29.700 0.124 0.000 0.947 446 E HN 0.490 nan 8.360 nan 0.000 0.440 447 R N 1.936 122.315 120.500 -0.201 0.000 2.817 447 R HA 0.531 4.871 4.340 0.001 0.000 0.268 447 R C -1.430 174.688 176.300 -0.302 0.000 1.027 447 R CA -1.035 54.938 56.100 -0.213 0.000 0.928 447 R CB 2.207 32.356 30.300 -0.253 0.000 1.228 447 R HN 0.477 nan 8.270 nan 0.000 0.469 448 S N -0.241 115.319 115.700 -0.232 0.000 2.672 448 S HA 0.799 5.270 4.470 0.001 0.000 0.291 448 S C -0.697 173.745 174.600 -0.263 0.000 1.145 448 S CA 0.124 58.195 58.200 -0.216 0.000 1.013 448 S CB 1.535 64.639 63.200 -0.161 0.000 1.017 448 S HN 0.907 nan 8.310 nan 0.000 0.487 449 G N 3.010 111.615 108.800 -0.324 0.000 2.399 449 G HA2 0.339 4.299 3.960 0.001 0.000 0.256 449 G HA3 0.339 4.299 3.960 0.001 0.000 0.256 449 G C -2.094 172.444 174.900 -0.604 0.000 1.236 449 G CA -0.681 44.062 45.100 -0.595 0.000 0.914 449 G HN 0.541 nan 8.290 nan 0.000 0.482 450 F N 1.236 121.236 119.950 0.084 0.000 2.388 450 F HA 0.609 5.136 4.527 0.001 0.000 0.358 450 F C 0.861 176.719 175.800 0.096 0.000 1.122 450 F CA -0.767 57.285 58.000 0.087 0.000 1.056 450 F CB 1.288 40.294 39.000 0.009 0.000 1.155 450 F HN 0.208 nan 8.300 nan 0.000 0.461 451 I N 2.945 123.701 120.570 0.310 0.000 2.648 451 I HA 0.399 4.569 4.170 0.001 0.000 0.284 451 I C 0.836 176.984 176.117 0.052 0.000 1.153 451 I CA 0.372 61.824 61.300 0.252 0.000 1.426 451 I CB 0.393 38.675 38.000 0.470 0.000 1.381 451 I HN 0.769 nan 8.210 nan 0.000 0.571 452 G N 5.647 114.245 108.800 -0.338 0.000 2.660 452 G HA2 0.796 4.756 3.960 0.001 0.000 0.294 452 G HA3 0.796 4.756 3.960 0.001 0.000 0.294 452 G C -1.337 173.124 174.900 -0.731 0.000 1.369 452 G CA -0.483 44.222 45.100 -0.659 0.000 0.912 452 G HN 0.600 nan 8.290 nan 0.000 0.479 453 F N -1.484 118.274 119.950 -0.321 0.000 2.773 453 F HA 0.858 5.385 4.527 0.001 0.000 0.314 453 F C -1.249 174.613 175.800 0.104 0.000 1.160 453 F CA -1.268 56.697 58.000 -0.060 0.000 0.920 453 F CB 2.030 41.025 39.000 -0.008 0.000 1.323 453 F HN 0.652 nan 8.300 nan 0.000 0.457 454 E N 1.831 122.294 120.200 0.438 0.000 2.290 454 E HA 0.692 5.042 4.350 0.001 0.000 0.274 454 E C -2.090 174.764 176.600 0.425 0.000 0.889 454 E CA -0.847 55.737 56.400 0.307 0.000 0.760 454 E CB 2.589 32.413 29.700 0.208 0.000 1.206 454 E HN 0.892 nan 8.360 nan 0.000 0.419 455 L N 0.181 121.632 121.223 0.380 0.000 2.892 455 L HA 0.638 4.979 4.340 0.001 0.000 0.269 455 L C -1.426 175.625 176.870 0.301 0.000 1.058 455 L CA -0.820 54.256 54.840 0.394 0.000 0.923 455 L CB 1.566 43.812 42.059 0.311 0.000 1.518 455 L HN 0.442 nan 8.230 nan 0.000 0.402 456 E N 0.262 120.633 120.200 0.285 0.000 2.210 456 E HA 0.871 5.222 4.350 0.001 0.000 0.266 456 E C -1.099 175.596 176.600 0.157 0.000 0.883 456 E CA -0.900 55.624 56.400 0.207 0.000 0.761 456 E CB 2.233 32.065 29.700 0.219 0.000 1.156 456 E HN 0.996 nan 8.360 nan 0.000 0.412 457 A N 3.556 126.459 122.820 0.137 0.000 2.601 457 A HA 0.634 4.954 4.320 0.001 0.000 0.291 457 A C -2.892 174.745 177.584 0.088 0.000 1.075 457 A CA -1.408 50.692 52.037 0.105 0.000 0.671 457 A CB 1.286 20.355 19.000 0.115 0.000 1.277 457 A HN 0.336 nan 8.150 nan 0.000 0.417 458 P HA 0.418 nan 4.420 nan 0.000 0.272 458 P C -0.082 177.248 177.300 0.050 0.000 1.230 458 P CA 0.208 63.337 63.100 0.048 0.000 0.788 458 P CB 0.683 32.403 31.700 0.032 0.000 0.949 459 A N 1.963 124.807 122.820 0.040 0.000 2.498 459 A HA 0.436 4.756 4.320 0.001 0.000 0.239 459 A C 1.495 179.089 177.584 0.016 0.000 1.068 459 A CA 0.817 52.872 52.037 0.030 0.000 0.766 459 A CB -1.387 17.626 19.000 0.021 0.000 1.003 459 A HN 0.854 nan 8.150 nan 0.000 0.497 460 G N 1.531 110.333 108.800 0.003 0.000 2.217 460 G HA2 -0.220 3.740 3.960 0.001 0.000 0.246 460 G HA3 -0.220 3.740 3.960 0.001 0.000 0.246 460 G C 0.532 175.432 174.900 0.000 0.000 0.990 460 G CA 0.446 45.540 45.100 -0.010 0.000 0.627 460 G HN 1.232 nan 8.290 nan 0.000 0.522 461 T N 1.670 116.239 114.554 0.025 0.000 2.908 461 T HA 0.415 4.765 4.350 0.001 0.000 0.301 461 T C 0.845 175.571 174.700 0.043 0.000 1.019 461 T CA 0.436 62.558 62.100 0.036 0.000 1.152 461 T CB 0.889 69.791 68.868 0.057 0.000 0.966 461 T HN 0.336 nan 8.240 nan 0.000 0.540 462 I N 4.368 124.955 120.570 0.029 0.000 2.342 462 I HA 0.288 4.459 4.170 0.001 0.000 0.291 462 I C -0.083 176.062 176.117 0.047 0.000 1.010 462 I CA -0.586 60.734 61.300 0.034 0.000 1.308 462 I CB 0.916 38.919 38.000 0.005 0.000 1.400 462 I HN 0.358 nan 8.210 nan 0.000 0.488 463 I N 5.530 126.158 120.570 0.097 0.000 2.390 463 I HA 0.296 4.466 4.170 0.001 0.000 0.283 463 I C -0.687 175.450 176.117 0.033 0.000 1.016 463 I CA -0.494 60.827 61.300 0.035 0.000 1.151 463 I CB 0.935 38.928 38.000 -0.012 0.000 1.293 463 I HN 0.422 nan 8.210 nan 0.000 0.458 464 D N 5.343 125.709 120.400 -0.056 0.000 2.168 464 D HA 0.660 5.301 4.640 0.001 0.000 0.246 464 D C -0.077 176.074 176.300 -0.248 0.000 1.050 464 D CA -0.065 53.865 54.000 -0.117 0.000 0.857 464 D CB 2.422 43.180 40.800 -0.070 0.000 1.169 464 D HN 0.597 nan 8.370 nan 0.000 0.453 465 A N 2.423 124.949 122.820 -0.490 0.000 2.356 465 A HA 0.580 4.901 4.320 0.001 0.000 0.310 465 A C -1.719 175.706 177.584 -0.264 0.000 1.075 465 A CA -0.700 51.007 52.037 -0.551 0.000 0.746 465 A CB 1.075 19.335 19.000 -1.234 0.000 1.221 465 A HN 0.453 nan 8.150 nan 0.000 0.443 466 Y N 1.383 121.525 120.300 -0.263 0.000 2.362 466 Y HA 0.579 5.129 4.550 0.001 0.000 0.326 466 Y C -0.091 175.711 175.900 -0.164 0.000 1.083 466 Y CA -0.899 57.100 58.100 -0.169 0.000 1.073 466 Y CB 1.374 39.766 38.460 -0.113 0.000 1.211 466 Y HN 0.903 nan 8.280 nan 0.000 0.433 467 G N 4.674 113.174 108.800 -0.501 0.000 2.372 467 G HA2 0.588 4.548 3.960 0.001 0.000 0.323 467 G HA3 0.588 4.548 3.960 0.001 0.000 0.323 467 G C -1.153 173.495 174.900 -0.421 0.000 1.152 467 G CA -0.389 44.314 45.100 -0.661 0.000 0.906 467 G HN 1.071 nan 8.290 nan 0.000 0.460 468 V N -0.075 119.726 119.914 -0.187 0.000 3.046 468 V HA 0.634 4.755 4.120 0.001 0.000 0.316 468 V C 0.420 176.619 176.094 0.176 0.000 1.104 468 V CA -0.865 61.382 62.300 -0.089 0.000 1.006 468 V CB 2.145 33.856 31.823 -0.187 0.000 1.058 468 V HN 0.742 nan 8.190 nan 0.000 0.440 469 E N 0.207 120.487 120.200 0.134 0.000 2.307 469 E HA 0.180 4.531 4.350 0.001 0.000 0.195 469 E C -0.831 175.886 176.600 0.196 0.000 0.975 469 E CA 0.651 57.145 56.400 0.156 0.000 0.878 469 E CB 0.737 30.503 29.700 0.110 0.000 0.845 469 E HN 0.718 nan 8.360 nan 0.000 0.488 470 Y N 1.334 121.577 120.300 -0.095 0.000 2.457 470 Y HA 0.391 4.941 4.550 0.001 0.000 0.343 470 Y C -1.365 174.402 175.900 -0.221 0.000 0.994 470 Y CA -1.027 56.986 58.100 -0.144 0.000 1.031 470 Y CB 1.315 39.457 38.460 -0.530 0.000 1.246 470 Y HN -0.157 nan 8.280 nan 0.000 0.449 471 M N 5.627 124.658 119.600 -0.948 0.000 2.471 471 M HA 0.611 5.092 4.480 0.001 0.000 0.284 471 M C -2.124 173.725 176.300 -0.751 0.000 1.203 471 M CA -0.894 53.932 55.300 -0.789 0.000 0.915 471 M CB 2.977 35.148 32.600 -0.715 0.000 1.734 471 M HN 0.744 nan 8.290 nan 0.000 0.485 472 R N 1.714 122.013 120.500 -0.335 0.000 2.522 472 R HA 0.275 4.615 4.340 0.001 0.000 0.273 472 R C -1.211 175.116 176.300 0.045 0.000 1.133 472 R CA -0.098 55.930 56.100 -0.121 0.000 0.969 472 R CB 1.630 31.938 30.300 0.013 0.000 1.235 472 R HN 1.040 nan 8.270 nan 0.000 0.433 473 E N 2.525 122.737 120.200 0.021 0.000 2.183 473 E HA -0.288 4.063 4.350 0.001 0.000 0.196 473 E C 0.566 177.209 176.600 0.071 0.000 1.364 473 E CA 1.122 57.552 56.400 0.050 0.000 0.700 473 E CB -1.043 28.703 29.700 0.077 0.000 1.106 473 E HN 1.110 nan 8.360 nan 0.000 0.347 474 G N -0.261 108.567 108.800 0.046 0.000 2.217 474 G HA2 -0.384 3.576 3.960 0.001 0.000 0.246 474 G HA3 -0.384 3.576 3.960 0.001 0.000 0.246 474 G C -0.169 174.802 174.900 0.118 0.000 0.990 474 G CA 0.272 45.413 45.100 0.068 0.000 0.627 474 G HN 0.535 nan 8.290 nan 0.000 0.522 475 Y N 2.102 122.400 120.300 -0.004 0.000 2.328 475 Y HA 0.642 5.192 4.550 0.001 0.000 0.337 475 Y C -0.215 175.654 175.900 -0.052 0.000 1.008 475 Y CA -0.228 57.879 58.100 0.013 0.000 1.129 475 Y CB 1.763 40.265 38.460 0.071 0.000 1.185 475 Y HN 0.041 nan 8.280 nan 0.000 0.476 476 T N 6.831 120.947 114.554 -0.730 0.000 2.786 476 T HA 0.148 4.498 4.350 0.001 0.000 0.283 476 T C -0.879 173.126 174.700 -1.159 0.000 0.992 476 T CA -0.645 60.976 62.100 -0.799 0.000 0.954 476 T CB 1.057 69.554 68.868 -0.618 0.000 0.934 476 T HN 0.673 nan 8.240 nan 0.000 0.440 477 Q N 3.511 122.818 119.800 -0.821 0.000 2.389 477 Q HA 0.150 4.490 4.340 0.001 0.000 0.244 477 Q C -0.579 175.217 176.000 -0.339 0.000 1.056 477 Q CA -0.380 55.165 55.803 -0.430 0.000 0.908 477 Q CB 0.108 28.884 28.738 0.064 0.000 1.273 477 Q HN 0.681 nan 8.270 nan 0.000 0.471 478 H N 1.048 119.945 119.070 -0.289 0.000 2.707 478 H HA 0.026 4.582 4.556 0.001 0.000 0.359 478 H C 0.542 175.711 175.328 -0.265 0.000 1.113 478 H CA 0.611 56.450 56.048 -0.348 0.000 1.422 478 H CB 0.967 30.311 29.762 -0.695 0.000 1.443 478 H HN 0.563 nan 8.280 nan 0.000 0.591 479 T N 1.093 115.785 114.554 0.229 0.000 4.309 479 T HA 0.075 4.425 4.350 0.001 0.000 0.242 479 T C -0.309 174.555 174.700 0.274 0.000 1.142 479 T CA -0.669 61.571 62.100 0.233 0.000 1.042 479 T CB -1.340 67.533 68.868 0.008 0.000 1.366 479 T HN 0.296 nan 8.240 nan 0.000 0.942 480 Y N 1.227 121.818 120.300 0.485 0.000 2.805 480 Y HA 0.317 4.867 4.550 0.001 0.000 0.331 480 Y C 1.801 177.809 175.900 0.180 0.000 1.241 480 Y CA 0.985 59.280 58.100 0.325 0.000 1.546 480 Y CB -0.367 38.255 38.460 0.270 0.000 1.248 480 Y HN 0.713 nan 8.280 nan 0.000 0.559 481 G N 1.976 110.857 108.800 0.134 0.000 2.175 481 G HA2 -0.247 3.713 3.960 0.001 0.000 0.244 481 G HA3 -0.247 3.713 3.960 0.001 0.000 0.244 481 G C -0.669 174.224 174.900 -0.011 0.000 0.982 481 G CA -0.080 45.065 45.100 0.076 0.000 0.641 481 G HN 0.671 nan 8.290 nan 0.000 0.527 482 L N 0.969 122.105 121.223 -0.145 0.000 2.504 482 L HA 0.688 5.028 4.340 0.001 0.000 0.265 482 L C -1.179 175.477 176.870 -0.356 0.000 0.975 482 L CA -0.798 53.928 54.840 -0.191 0.000 0.864 482 L CB 1.572 43.524 42.059 -0.177 0.000 1.212 482 L HN 0.004 nan 8.230 nan 0.000 0.416 483 D N 2.963 123.185 120.400 -0.296 0.000 2.551 483 D HA 0.145 4.786 4.640 0.001 0.000 0.223 483 D C 0.107 176.407 176.300 -0.000 0.000 1.144 483 D CA 0.362 54.229 54.000 -0.221 0.000 1.025 483 D CB 0.036 40.785 40.800 -0.086 0.000 1.085 483 D HN 0.342 nan 8.370 nan 0.000 0.506 484 N N 1.887 120.643 118.700 0.093 0.000 3.193 484 N HA 0.044 4.784 4.740 0.001 0.000 0.312 484 N C -0.797 174.839 175.510 0.210 0.000 1.261 484 N CA -0.061 53.077 53.050 0.146 0.000 1.208 484 N CB -0.128 38.430 38.487 0.118 0.000 1.471 484 N HN 0.345 nan 8.380 nan 0.000 0.548 485 T N -2.359 112.304 114.554 0.181 0.000 2.754 485 T HA 0.738 5.089 4.350 0.001 0.000 0.296 485 T C -0.666 174.187 174.700 0.256 0.000 1.205 485 T CA -0.968 61.217 62.100 0.142 0.000 1.009 485 T CB 1.300 70.226 68.868 0.095 0.000 1.368 485 T HN 0.123 nan 8.240 nan 0.000 0.509 486 F N -1.345 118.700 119.950 0.157 0.000 2.703 486 F HA 0.804 5.332 4.527 0.001 0.000 0.308 486 F C -1.209 174.670 175.800 0.132 0.000 1.126 486 F CA -1.365 56.738 58.000 0.172 0.000 0.959 486 F CB 1.712 40.878 39.000 0.277 0.000 1.297 486 F HN 0.913 nan 8.300 nan 0.000 0.441 487 R N 2.837 123.636 120.500 0.498 0.000 2.534 487 R HA 0.550 4.891 4.340 0.001 0.000 0.301 487 R C -2.464 174.067 176.300 0.384 0.000 0.961 487 R CA -0.782 55.515 56.100 0.328 0.000 0.871 487 R CB 1.903 32.273 30.300 0.117 0.000 1.170 487 R HN 0.911 nan 8.270 nan 0.000 0.446 488 Y N 5.309 125.750 120.300 0.235 0.000 2.361 488 Y HA 0.488 5.038 4.550 0.001 0.000 0.337 488 Y C -1.231 174.704 175.900 0.059 0.000 0.965 488 Y CA -0.870 57.285 58.100 0.091 0.000 1.091 488 Y CB 1.218 39.797 38.460 0.199 0.000 1.182 488 Y HN 0.517 nan 8.280 nan 0.000 0.450 489 I N 6.313 126.645 120.570 -0.396 0.000 2.339 489 I HA 0.270 4.440 4.170 0.001 0.000 0.290 489 I C -0.363 175.509 176.117 -0.407 0.000 0.994 489 I CA -0.616 60.532 61.300 -0.253 0.000 1.191 489 I CB 0.811 38.700 38.000 -0.185 0.000 1.343 489 I HN 0.609 nan 8.210 nan 0.000 0.458 490 C N 5.877 125.121 119.300 -0.092 0.000 2.662 490 C HA 0.268 4.728 4.460 0.001 0.000 0.420 490 C C 1.097 176.093 174.990 0.009 0.000 1.314 490 C CA -0.535 58.514 59.018 0.052 0.000 1.963 490 C CB -0.347 27.511 27.740 0.197 0.000 2.686 490 C HN 0.839 nan 8.230 nan 0.000 0.609 491 R N 1.541 122.077 120.500 0.060 0.000 2.541 491 R HA 0.623 4.963 4.340 0.001 0.000 0.254 491 R C -0.366 175.983 176.300 0.081 0.000 1.130 491 R CA -0.551 55.579 56.100 0.049 0.000 1.152 491 R CB 0.454 30.794 30.300 0.066 0.000 1.222 491 R HN 0.584 nan 8.270 nan 0.000 0.579 492 E N -0.195 120.044 120.200 0.065 0.000 2.338 492 E HA 0.368 4.719 4.350 0.001 0.000 0.272 492 E C 0.191 176.839 176.600 0.080 0.000 1.029 492 E CA 1.343 57.783 56.400 0.066 0.000 0.872 492 E CB 0.704 30.433 29.700 0.048 0.000 1.015 492 E HN 0.842 nan 8.360 nan 0.000 0.417 493 G N 3.646 112.498 108.800 0.086 0.000 2.545 493 G HA2 -0.251 3.710 3.960 0.001 0.000 0.216 493 G HA3 -0.251 3.710 3.960 0.001 0.000 0.216 493 G C -0.717 174.252 174.900 0.114 0.000 1.314 493 G CA -0.250 44.904 45.100 0.089 0.000 0.906 493 G HN 0.743 nan 8.290 nan 0.000 0.563 494 R N 1.051 121.607 120.500 0.094 0.000 2.441 494 R HA 0.572 4.913 4.340 0.001 0.000 0.284 494 R C 0.373 176.732 176.300 0.099 0.000 1.070 494 R CA 0.363 56.516 56.100 0.088 0.000 1.047 494 R CB 0.396 30.704 30.300 0.012 0.000 1.016 494 R HN 0.924 nan 8.270 nan 0.000 0.477 495 Q N 1.368 121.245 119.800 0.128 0.000 2.575 495 Q HA 0.406 4.746 4.340 0.001 0.000 0.290 495 Q C -1.689 174.360 176.000 0.082 0.000 0.963 495 Q CA -1.056 54.828 55.803 0.135 0.000 0.783 495 Q CB 1.976 30.858 28.738 0.240 0.000 1.467 495 Q HN 0.510 nan 8.270 nan 0.000 0.402 496 S N 0.362 116.065 115.700 0.005 0.000 2.570 496 S HA 0.765 5.236 4.470 0.001 0.000 0.286 496 S C -1.951 172.498 174.600 -0.251 0.000 1.099 496 S CA -0.563 57.548 58.200 -0.148 0.000 0.913 496 S CB 1.367 64.529 63.200 -0.063 0.000 1.085 496 S HN 0.570 nan 8.310 nan 0.000 0.480 497 Y N 0.904 120.720 120.300 -0.807 0.000 2.482 497 Y HA 0.588 5.139 4.550 0.001 0.000 0.334 497 Y C -1.904 173.634 175.900 -0.603 0.000 1.091 497 Y CA -0.677 56.984 58.100 -0.732 0.000 1.027 497 Y CB 1.132 38.929 38.460 -1.104 0.000 1.306 497 Y HN 0.442 nan 8.280 nan 0.000 0.446 498 V N 4.986 124.251 119.914 -1.081 0.000 2.447 498 V HA 0.309 4.430 4.120 0.001 0.000 0.292 498 V C -0.215 175.326 176.094 -0.921 0.000 1.021 498 V CA -0.861 61.011 62.300 -0.713 0.000 0.850 498 V CB 1.542 33.174 31.823 -0.317 0.000 1.005 498 V HN 0.823 nan 8.190 nan 0.000 0.426 499 S N 7.239 122.575 115.700 -0.606 0.000 2.525 499 S HA 0.207 4.678 4.470 0.001 0.000 0.285 499 S C -1.024 173.565 174.600 -0.018 0.000 1.283 499 S CA -0.628 57.439 58.200 -0.221 0.000 1.072 499 S CB 0.893 64.159 63.200 0.109 0.000 0.867 499 S HN 0.693 nan 8.310 nan 0.000 0.492 500 P HA 0.127 nan 4.420 nan 0.000 0.257 500 P C -0.382 176.989 177.300 0.118 0.000 1.281 500 P CA 0.060 63.042 63.100 -0.197 0.000 0.826 500 P CB 0.083 31.550 31.700 -0.388 0.000 1.237 501 V N 1.889 122.019 119.914 0.360 0.000 2.370 501 V HA 0.249 4.369 4.120 0.001 0.000 0.279 501 V C 0.954 177.314 176.094 0.443 0.000 1.029 501 V CA -0.911 61.648 62.300 0.433 0.000 0.870 501 V CB 1.334 33.439 31.823 0.469 0.000 0.984 501 V HN 0.049 nan 8.190 nan 0.000 0.451 502 R N 5.411 126.109 120.500 0.330 0.000 2.491 502 R HA 0.405 4.745 4.340 0.001 0.000 0.283 502 R C -0.414 175.937 176.300 0.086 0.000 1.072 502 R CA -0.092 56.008 56.100 -0.001 0.000 1.048 502 R CB 0.500 30.724 30.300 -0.127 0.000 0.983 502 R HN 0.703 nan 8.270 nan 0.000 0.450 503 R N 1.801 122.349 120.500 0.079 0.000 2.725 503 R HA 0.397 4.738 4.340 0.001 0.000 0.277 503 R C -0.881 175.540 176.300 0.201 0.000 0.987 503 R CA -0.889 55.331 56.100 0.200 0.000 0.901 503 R CB 2.419 32.910 30.300 0.319 0.000 1.207 503 R HN 0.800 nan 8.270 nan 0.000 0.463 504 G N 2.184 111.100 108.800 0.193 0.000 2.470 504 G HA2 0.730 4.690 3.960 0.001 0.000 0.320 504 G HA3 0.730 4.690 3.960 0.001 0.000 0.320 504 G C -0.971 174.059 174.900 0.217 0.000 1.245 504 G CA -0.414 44.731 45.100 0.076 0.000 0.935 504 G HN 0.508 nan 8.290 nan 0.000 0.476 505 F N -0.171 119.770 119.950 -0.015 0.000 2.944 505 F HA 0.599 5.127 4.527 0.001 0.000 0.324 505 F C 0.272 176.048 175.800 -0.040 0.000 1.151 505 F CA -1.253 56.734 58.000 -0.021 0.000 0.883 505 F CB 1.486 40.463 39.000 -0.039 0.000 1.341 505 F HN 0.559 nan 8.300 nan 0.000 0.456 506 R N -0.436 120.091 120.500 0.044 0.000 2.243 506 R HA 0.387 4.727 4.340 0.001 0.000 0.193 506 R C -0.986 175.183 176.300 -0.219 0.000 0.933 506 R CA 0.216 56.162 56.100 -0.256 0.000 1.105 506 R CB 0.249 30.274 30.300 -0.458 0.000 1.169 506 R HN 0.653 nan 8.270 nan 0.000 0.599 507 Y N 0.918 121.359 120.300 0.236 0.000 2.341 507 Y HA 0.429 4.980 4.550 0.001 0.000 0.337 507 Y C -0.725 175.219 175.900 0.072 0.000 1.014 507 Y CA -1.166 56.991 58.100 0.095 0.000 1.111 507 Y CB 1.836 40.254 38.460 -0.069 0.000 1.194 507 Y HN -0.031 nan 8.280 nan 0.000 0.462 508 L N 4.270 125.557 121.223 0.107 0.000 2.305 508 L HA 0.563 4.904 4.340 0.001 0.000 0.284 508 L C -1.594 175.209 176.870 -0.111 0.000 1.013 508 L CA -0.629 54.154 54.840 -0.095 0.000 0.819 508 L CB 0.190 42.197 42.059 -0.087 0.000 1.227 508 L HN 0.414 nan 8.230 nan 0.000 0.417 509 F N 6.026 125.889 119.950 -0.147 0.000 2.413 509 F HA 0.392 4.920 4.527 0.001 0.000 0.359 509 F C -0.126 175.623 175.800 -0.084 0.000 1.122 509 F CA -0.140 57.823 58.000 -0.061 0.000 1.160 509 F CB 1.109 40.125 39.000 0.027 0.000 1.146 509 F HN 0.308 nan 8.300 nan 0.000 0.514 510 L N 4.639 125.878 121.223 0.027 0.000 2.294 510 L HA 0.514 4.854 4.340 0.001 0.000 0.283 510 L C -0.430 176.438 176.870 -0.003 0.000 1.015 510 L CA 0.090 54.907 54.840 -0.039 0.000 0.831 510 L CB 0.951 42.965 42.059 -0.075 0.000 1.217 510 L HN 0.451 nan 8.230 nan 0.000 0.420 511 T N 4.337 118.888 114.554 -0.004 0.000 2.770 511 T HA 0.548 4.898 4.350 0.001 0.000 0.283 511 T C -0.482 174.212 174.700 -0.009 0.000 0.988 511 T CA -0.439 61.671 62.100 0.017 0.000 0.957 511 T CB 1.472 70.360 68.868 0.034 0.000 0.930 511 T HN 0.242 nan 8.240 nan 0.000 0.443 512 V N 5.295 125.212 119.914 0.006 0.000 2.394 512 V HA 0.557 4.677 4.120 0.001 0.000 0.282 512 V C 0.185 176.290 176.094 0.019 0.000 1.031 512 V CA -0.772 61.528 62.300 0.001 0.000 0.881 512 V CB 0.893 32.712 31.823 -0.007 0.000 0.982 512 V HN 0.764 nan 8.190 nan 0.000 0.451 513 R N 2.624 123.130 120.500 0.011 0.000 2.837 513 R HA 0.696 5.036 4.340 0.001 0.000 0.271 513 R C 0.862 177.167 176.300 0.008 0.000 0.993 513 R CA -0.504 55.602 56.100 0.011 0.000 0.931 513 R CB 1.666 31.962 30.300 -0.006 0.000 1.206 513 R HN 0.888 nan 8.270 nan 0.000 0.474 514 G N 1.330 110.134 108.800 0.007 0.000 2.187 514 G HA2 -0.305 3.655 3.960 0.001 0.000 0.261 514 G HA3 -0.305 3.655 3.960 0.001 0.000 0.261 514 G C -0.325 174.579 174.900 0.007 0.000 1.000 514 G CA 0.538 45.639 45.100 0.003 0.000 0.718 514 G HN 0.785 nan 8.290 nan 0.000 0.519 515 N N 0.078 118.784 118.700 0.010 0.000 2.479 515 N HA 0.457 5.198 4.740 0.001 0.000 0.285 515 N C 1.178 176.690 175.510 0.004 0.000 1.075 515 N CA 0.152 53.208 53.050 0.009 0.000 0.967 515 N CB 1.694 40.186 38.487 0.009 0.000 1.137 515 N HN 0.401 nan 8.380 nan 0.000 0.472 516 S N 1.335 117.038 115.700 0.005 0.000 2.404 516 S HA 0.199 4.669 4.470 0.001 0.000 0.223 516 S C 0.974 175.572 174.600 -0.003 0.000 1.040 516 S CA 0.109 58.310 58.200 0.002 0.000 0.957 516 S CB -0.162 63.040 63.200 0.004 0.000 0.826 516 S HN 0.847 nan 8.310 nan 0.000 0.491 517 A N 3.053 125.874 122.820 0.001 0.000 2.269 517 A HA 0.723 5.044 4.320 0.001 0.000 0.319 517 A C -2.611 174.967 177.584 -0.009 0.000 1.110 517 A CA -2.229 49.807 52.037 -0.002 0.000 0.847 517 A CB 0.097 19.102 19.000 0.008 0.000 1.161 517 A HN 0.321 nan 8.150 nan 0.000 0.497 518 P HA 0.194 nan 4.420 nan 0.000 0.269 518 P C -0.658 176.637 177.300 -0.007 0.000 1.209 518 P CA 0.134 63.216 63.100 -0.030 0.000 0.776 518 P CB 0.655 32.333 31.700 -0.037 0.000 0.876 519 V N 4.292 124.198 119.914 -0.013 0.000 2.427 519 V HA 0.229 4.349 4.120 0.001 0.000 0.286 519 V C 0.709 176.808 176.094 0.009 0.000 1.034 519 V CA -0.363 61.946 62.300 0.015 0.000 0.893 519 V CB 1.120 32.950 31.823 0.012 0.000 0.982 519 V HN 0.440 nan 8.190 nan 0.000 0.452 520 K N 4.503 124.926 120.400 0.039 0.000 2.316 520 K HA 0.455 4.776 4.320 0.001 0.000 0.267 520 K C -1.034 175.587 176.600 0.034 0.000 1.025 520 K CA -0.754 55.529 56.287 -0.006 0.000 0.896 520 K CB 1.544 34.031 32.500 -0.022 0.000 1.124 520 K HN 0.374 nan 8.250 nan 0.000 0.451 521 L N 4.066 125.290 121.223 0.001 0.000 2.268 521 L HA 0.208 4.548 4.340 0.001 0.000 0.289 521 L C 0.538 177.440 176.870 0.053 0.000 1.064 521 L CA 0.212 55.100 54.840 0.079 0.000 0.824 521 L CB 0.193 42.286 42.059 0.057 0.000 1.202 521 L HN 0.606 nan 8.230 nan 0.000 0.433 522 H N 2.583 121.743 119.070 0.149 0.000 2.395 522 H HA 0.115 4.671 4.556 0.001 0.000 0.299 522 H C -0.143 175.309 175.328 0.206 0.000 1.070 522 H CA 1.296 57.437 56.048 0.154 0.000 1.356 522 H CB 0.337 30.189 29.762 0.150 0.000 1.401 522 H HN 0.718 nan 8.280 nan 0.000 0.524 523 E N -0.729 119.697 120.200 0.377 0.000 2.401 523 E HA 0.308 4.659 4.350 0.001 0.000 0.283 523 E C -1.684 175.166 176.600 0.416 0.000 1.053 523 E CA -0.878 55.772 56.400 0.416 0.000 0.842 523 E CB 1.086 31.096 29.700 0.515 0.000 1.222 523 E HN 0.020 nan 8.360 nan 0.000 0.429 524 I N 2.659 123.444 120.570 0.357 0.000 2.533 524 I HA 0.678 4.848 4.170 0.001 0.000 0.290 524 I C -1.767 174.476 176.117 0.210 0.000 1.056 524 I CA -0.545 60.883 61.300 0.213 0.000 1.057 524 I CB 1.438 39.525 38.000 0.145 0.000 1.240 524 I HN 0.676 nan 8.210 nan 0.000 0.423 525 Y N 5.442 125.790 120.300 0.081 0.000 2.871 525 Y HA 0.682 5.233 4.550 0.001 0.000 0.331 525 Y C -1.827 174.106 175.900 0.056 0.000 1.378 525 Y CA -1.445 56.631 58.100 -0.041 0.000 1.079 525 Y CB 0.764 39.005 38.460 -0.365 0.000 1.441 525 Y HN 0.537 nan 8.280 nan 0.000 0.446 526 I N 1.391 122.095 120.570 0.224 0.000 2.647 526 I HA 0.539 4.709 4.170 0.001 0.000 0.295 526 I C -1.201 175.057 176.117 0.236 0.000 1.078 526 I CA -1.236 60.171 61.300 0.178 0.000 1.048 526 I CB 1.958 40.013 38.000 0.091 0.000 1.239 526 I HN 0.746 nan 8.210 nan 0.000 0.421 527 R N 6.169 126.811 120.500 0.237 0.000 2.287 527 R HA 0.231 4.571 4.340 0.001 0.000 0.327 527 R C -0.468 175.894 176.300 0.103 0.000 1.109 527 R CA -0.448 55.777 56.100 0.209 0.000 1.013 527 R CB 0.983 31.459 30.300 0.294 0.000 1.126 527 R HN 0.569 nan 8.270 nan 0.000 0.503 528 Q N 1.740 121.560 119.800 0.033 0.000 2.364 528 Q HA 0.081 4.421 4.340 0.001 0.000 0.267 528 Q C -0.686 175.295 176.000 -0.032 0.000 0.999 528 Q CA 0.415 56.193 55.803 -0.042 0.000 0.886 528 Q CB 0.961 29.684 28.738 -0.024 0.000 1.243 528 Q HN 0.407 nan 8.270 nan 0.000 0.415 529 S N 2.658 118.296 115.700 -0.103 0.000 2.677 529 S HA 0.614 5.085 4.470 0.001 0.000 0.283 529 S C -1.106 173.444 174.600 -0.083 0.000 1.159 529 S CA -0.069 58.097 58.200 -0.055 0.000 1.001 529 S CB 1.222 64.423 63.200 0.002 0.000 1.032 529 S HN 0.799 nan 8.310 nan 0.000 0.487 530 T N 2.021 116.537 114.554 -0.063 0.000 2.778 530 T HA 0.530 4.880 4.350 0.001 0.000 0.293 530 T C -0.754 173.909 174.700 -0.061 0.000 1.144 530 T CA -0.732 61.327 62.100 -0.069 0.000 1.010 530 T CB 0.475 69.289 68.868 -0.090 0.000 1.325 530 T HN 0.580 nan 8.240 nan 0.000 0.515 531 Y N 2.940 123.129 120.300 -0.184 0.000 2.578 531 Y HA 0.333 4.883 4.550 0.001 0.000 0.339 531 Y C -1.957 173.826 175.900 -0.194 0.000 1.231 531 Y CA -1.468 56.512 58.100 -0.200 0.000 1.461 531 Y CB 0.711 39.007 38.460 -0.273 0.000 1.323 531 Y HN 0.413 nan 8.280 nan 0.000 0.590 532 P HA 0.031 nan 4.420 nan 0.000 0.267 532 P C -1.259 175.958 177.300 -0.138 0.000 1.328 532 P CA 0.349 63.267 63.100 -0.304 0.000 0.990 532 P CB -0.095 31.387 31.700 -0.362 0.000 1.168 533 V N 1.212 121.030 119.914 -0.161 0.000 2.680 533 V HA 0.931 5.051 4.120 0.001 0.000 0.309 533 V C -0.381 175.646 176.094 -0.113 0.000 1.052 533 V CA -1.389 60.772 62.300 -0.233 0.000 0.908 533 V CB 1.863 33.149 31.823 -0.894 0.000 1.001 533 V HN 0.514 nan 8.190 nan 0.000 0.431 534 A N 2.514 125.369 122.820 0.059 0.000 2.356 534 A HA 0.720 5.040 4.320 0.001 0.000 0.323 534 A C 0.096 177.873 177.584 0.321 0.000 1.119 534 A CA -0.784 51.341 52.037 0.145 0.000 0.790 534 A CB 1.093 20.164 19.000 0.118 0.000 1.273 534 A HN 0.930 nan 8.150 nan 0.000 0.452 535 E N 1.571 121.952 120.200 0.302 0.000 2.676 535 E HA 0.002 4.353 4.350 0.001 0.000 0.318 535 E C 0.194 176.949 176.600 0.259 0.000 1.514 535 E CA -0.246 56.364 56.400 0.351 0.000 1.667 535 E CB 0.105 29.980 29.700 0.291 0.000 1.336 535 E HN 0.475 nan 8.360 nan 0.000 0.492 536 Q N -0.242 119.718 119.800 0.266 0.000 2.378 536 Q HA 0.011 4.351 4.340 0.001 0.000 0.205 536 Q C 0.935 177.027 176.000 0.153 0.000 0.954 536 Q CA 0.395 56.312 55.803 0.191 0.000 0.901 536 Q CB 0.319 29.170 28.738 0.188 0.000 0.981 536 Q HN 0.310 nan 8.270 nan 0.000 0.483 537 G N 0.368 109.281 108.800 0.188 0.000 2.441 537 G HA2 0.537 4.497 3.960 0.001 0.000 0.334 537 G HA3 0.537 4.497 3.960 0.001 0.000 0.334 537 G C -0.733 174.308 174.900 0.235 0.000 1.161 537 G CA -0.077 45.130 45.100 0.179 0.000 0.935 537 G HN 0.166 nan 8.290 nan 0.000 0.488 538 S N -1.074 114.683 115.700 0.096 0.000 2.587 538 S HA 0.772 5.242 4.470 0.001 0.000 0.269 538 S C -1.567 172.717 174.600 -0.527 0.000 1.154 538 S CA -0.857 57.184 58.200 -0.264 0.000 0.824 538 S CB 1.867 64.946 63.200 -0.202 0.000 1.118 538 S HN 1.498 nan 8.310 nan 0.000 0.462 539 F N 0.466 119.650 119.950 -1.278 0.000 2.639 539 F HA 0.722 5.249 4.527 0.001 0.000 0.320 539 F C -1.423 173.890 175.800 -0.812 0.000 1.128 539 F CA -0.303 57.071 58.000 -1.043 0.000 1.037 539 F CB 1.397 39.595 39.000 -1.337 0.000 1.288 539 F HN 0.905 nan 8.300 nan 0.000 0.463 540 R N 4.480 124.176 120.500 -1.341 0.000 2.668 540 R HA 0.793 5.133 4.340 0.001 0.000 0.272 540 R C -1.524 174.087 176.300 -1.148 0.000 1.019 540 R CA -0.755 54.823 56.100 -0.870 0.000 0.894 540 R CB 1.823 31.935 30.300 -0.314 0.000 1.228 540 R HN 0.912 nan 8.270 nan 0.000 0.460 541 C N -1.156 117.520 119.300 -1.040 0.000 3.340 541 C HA 0.473 4.933 4.460 0.001 0.000 0.333 541 C C 1.865 175.840 174.990 -1.692 0.000 1.464 541 C CA -0.387 57.764 59.018 -1.445 0.000 1.337 541 C CB 1.361 28.597 27.740 -0.840 0.000 1.740 541 C HN 0.967 nan 8.230 nan 0.000 0.450 542 S N -0.563 114.021 115.700 -1.861 0.000 2.469 542 S HA -0.075 4.396 4.470 0.001 0.000 0.238 542 S C 0.271 174.618 174.600 -0.423 0.000 0.998 542 S CA 1.543 59.059 58.200 -1.140 0.000 0.957 542 S CB -0.572 62.137 63.200 -0.819 0.000 0.764 542 S HN 0.912 nan 8.310 nan 0.000 0.514 543 D N 1.222 121.408 120.400 -0.356 0.000 2.428 543 D HA 0.586 5.226 4.640 0.001 0.000 0.221 543 D C 1.015 177.258 176.300 -0.096 0.000 1.123 543 D CA 0.050 53.960 54.000 -0.150 0.000 0.869 543 D CB 1.277 42.022 40.800 -0.091 0.000 1.032 543 D HN 0.156 nan 8.370 nan 0.000 0.506 544 A N 4.138 126.930 122.820 -0.046 0.000 1.978 544 A HA -0.193 4.128 4.320 0.001 0.000 0.220 544 A C 1.894 179.495 177.584 0.029 0.000 1.170 544 A CA 0.889 52.926 52.037 -0.000 0.000 0.636 544 A CB -0.310 18.704 19.000 0.023 0.000 0.810 544 A HN 0.590 nan 8.150 nan 0.000 0.448 545 L N -0.260 120.979 121.223 0.027 0.000 2.027 545 L HA -0.077 4.263 4.340 0.001 0.000 0.206 545 L C 2.223 179.131 176.870 0.064 0.000 1.074 545 L CA 1.676 56.545 54.840 0.048 0.000 0.745 545 L CB -0.614 41.469 42.059 0.040 0.000 0.898 545 L HN 0.396 nan 8.230 nan 0.000 0.433 546 L N -0.262 120.992 121.223 0.052 0.000 2.083 546 L HA -0.213 4.127 4.340 0.001 0.000 0.209 546 L C 2.322 179.291 176.870 0.165 0.000 1.083 546 L CA 1.124 56.012 54.840 0.080 0.000 0.752 546 L CB -0.844 41.262 42.059 0.079 0.000 0.899 546 L HN 0.378 nan 8.230 nan 0.000 0.433 547 N N 0.460 119.244 118.700 0.141 0.000 2.104 547 N HA -0.166 4.574 4.740 0.001 0.000 0.190 547 N C 1.862 177.507 175.510 0.225 0.000 1.024 547 N CA 1.611 54.767 53.050 0.177 0.000 0.853 547 N CB -0.326 38.196 38.487 0.059 0.000 1.008 547 N HN 0.324 nan 8.380 nan 0.000 0.424 548 A N 0.403 123.317 122.820 0.157 0.000 1.930 548 A HA -0.116 4.204 4.320 0.001 0.000 0.217 548 A C 2.361 180.042 177.584 0.162 0.000 1.175 548 A CA 2.092 54.221 52.037 0.153 0.000 0.627 548 A CB -1.076 17.992 19.000 0.114 0.000 0.815 548 A HN 0.515 nan 8.150 nan 0.000 0.443 549 T N -4.639 109.999 114.554 0.140 0.000 2.867 549 T HA -0.219 4.132 4.350 0.001 0.000 0.268 549 T C 1.660 176.400 174.700 0.067 0.000 1.057 549 T CA 1.402 63.551 62.100 0.082 0.000 1.136 549 T CB -0.477 68.380 68.868 -0.018 0.000 0.874 549 T HN 0.592 nan 8.240 nan 0.000 0.466 550 W N 1.882 123.170 121.300 -0.019 0.000 2.381 550 W HA 0.057 4.717 4.660 0.001 0.000 0.301 550 W C 2.416 178.961 176.519 0.044 0.000 1.205 550 W CA 1.247 58.585 57.345 -0.012 0.000 1.285 550 W CB -0.148 29.354 29.460 0.071 0.000 1.133 550 W HN 0.263 nan 8.180 nan 0.000 0.521 551 E N 0.924 121.340 120.200 0.361 0.000 2.058 551 E HA -0.271 4.080 4.350 0.001 0.000 0.194 551 E C 2.072 178.735 176.600 0.104 0.000 0.997 551 E CA 2.656 59.210 56.400 0.256 0.000 0.801 551 E CB -0.855 28.994 29.700 0.248 0.000 0.746 551 E HN 0.512 nan 8.360 nan 0.000 0.450 552 I N -2.017 118.621 120.570 0.112 0.000 2.546 552 I HA -0.086 4.085 4.170 0.001 0.000 0.255 552 I C 2.025 178.198 176.117 0.094 0.000 1.163 552 I CA 1.119 62.505 61.300 0.142 0.000 1.457 552 I CB -0.240 37.861 38.000 0.170 0.000 1.092 552 I HN -0.104 nan 8.210 nan 0.000 0.434 553 S N 1.079 116.757 115.700 -0.037 0.000 2.368 553 S HA -0.092 4.378 4.470 0.001 0.000 0.224 553 S C 2.099 176.578 174.600 -0.202 0.000 1.029 553 S CA 1.014 59.146 58.200 -0.113 0.000 0.988 553 S CB -0.451 62.593 63.200 -0.260 0.000 0.838 553 S HN 0.468 nan 8.310 nan 0.000 0.462 554 R N 0.429 120.695 120.500 -0.389 0.000 2.075 554 R HA -0.128 4.212 4.340 0.001 0.000 0.232 554 R C 2.181 178.491 176.300 0.017 0.000 1.126 554 R CA 1.622 57.473 56.100 -0.415 0.000 0.963 554 R CB -0.609 29.301 30.300 -0.650 0.000 0.858 554 R HN 0.455 nan 8.270 nan 0.000 0.435 555 H N 0.131 119.204 119.070 0.005 0.000 2.353 555 H HA -0.022 4.535 4.556 0.001 0.000 0.300 555 H C 1.641 177.038 175.328 0.115 0.000 1.090 555 H CA 2.425 58.533 56.048 0.099 0.000 1.327 555 H CB -0.186 29.629 29.762 0.089 0.000 1.383 555 H HN 0.141 nan 8.280 nan 0.000 0.508 556 T N -0.803 113.795 114.554 0.073 0.000 2.746 556 T HA -0.162 4.188 4.350 0.001 0.000 0.267 556 T C 1.941 176.672 174.700 0.051 0.000 1.039 556 T CA 1.914 64.045 62.100 0.051 0.000 1.142 556 T CB -0.533 68.418 68.868 0.139 0.000 0.866 556 T HN 0.453 nan 8.240 nan 0.000 0.444 557 T N 1.539 116.151 114.554 0.097 0.000 2.746 557 T HA -0.093 4.258 4.350 0.001 0.000 0.267 557 T C 2.026 176.870 174.700 0.240 0.000 1.039 557 T CA 1.248 63.456 62.100 0.180 0.000 1.142 557 T CB -0.189 68.790 68.868 0.184 0.000 0.866 557 T HN 0.342 nan 8.240 nan 0.000 0.444 558 R N 0.777 121.441 120.500 0.272 0.000 2.080 558 R HA -0.025 4.315 4.340 0.001 0.000 0.236 558 R C 2.268 178.536 176.300 -0.053 0.000 1.137 558 R CA 1.362 57.511 56.100 0.081 0.000 0.943 558 R CB -0.477 29.892 30.300 0.116 0.000 0.846 558 R HN 0.358 nan 8.270 nan 0.000 0.431 559 L N -0.314 120.835 121.223 -0.122 0.000 2.362 559 L HA -0.116 4.224 4.340 0.001 0.000 0.219 559 L C 1.521 178.356 176.870 -0.059 0.000 1.134 559 L CA 0.338 55.096 54.840 -0.138 0.000 0.807 559 L CB 0.004 41.933 42.059 -0.216 0.000 0.927 559 L HN 0.376 nan 8.230 nan 0.000 0.447 560 C N 0.053 119.351 119.300 -0.002 0.000 2.589 560 C HA 0.307 4.768 4.460 0.001 0.000 0.307 560 C C 0.879 175.913 174.990 0.074 0.000 1.328 560 C CA -0.335 58.706 59.018 0.039 0.000 1.742 560 C CB -1.046 26.730 27.740 0.060 0.000 2.037 560 C HN 0.313 nan 8.230 nan 0.000 0.592 561 M N 1.149 120.747 119.600 -0.002 0.000 2.006 561 M HA 0.271 4.751 4.480 0.001 0.000 0.314 561 M C 0.026 176.268 176.300 -0.096 0.000 0.926 561 M CA 0.214 55.446 55.300 -0.113 0.000 0.906 561 M CB 1.127 33.637 32.600 -0.151 0.000 1.422 561 M HN 0.373 nan 8.290 nan 0.000 0.397 562 E N 1.331 121.463 120.200 -0.114 0.000 3.491 562 E HA 0.123 4.474 4.350 0.001 0.000 0.337 562 E C 0.503 177.065 176.600 -0.063 0.000 0.545 562 E CA -0.408 55.948 56.400 -0.073 0.000 2.130 562 E CB 0.461 30.112 29.700 -0.083 0.000 2.087 562 E HN 0.658 nan 8.360 nan 0.000 0.434 563 D N 0.602 120.949 120.400 -0.088 0.000 2.312 563 D HA -0.075 4.566 4.640 0.001 0.000 0.211 563 D C 0.631 176.801 176.300 -0.217 0.000 0.964 563 D CA 0.853 54.791 54.000 -0.104 0.000 0.877 563 D CB 0.055 40.783 40.800 -0.121 0.000 0.924 563 D HN 0.280 nan 8.370 nan 0.000 0.515 564 T N -3.489 110.901 114.554 -0.273 0.000 2.816 564 T HA 0.499 4.850 4.350 0.001 0.000 0.299 564 T C -0.470 173.992 174.700 -0.397 0.000 1.230 564 T CA -1.018 60.812 62.100 -0.450 0.000 1.007 564 T CB 0.925 69.538 68.868 -0.425 0.000 1.289 564 T HN -0.107 nan 8.240 nan 0.000 0.508 565 F N 1.041 120.769 119.950 -0.370 0.000 2.496 565 F HA 0.497 5.025 4.527 0.001 0.000 0.344 565 F C 0.901 176.702 175.800 0.002 0.000 1.155 565 F CA -0.008 57.890 58.000 -0.171 0.000 1.302 565 F CB 1.037 39.957 39.000 -0.134 0.000 1.159 565 F HN 0.610 nan 8.300 nan 0.000 0.595 566 V N -1.122 118.939 119.914 0.245 0.000 3.078 566 V HA 0.357 4.477 4.120 0.001 0.000 0.311 566 V C 0.000 176.163 176.094 0.115 0.000 1.138 566 V CA -0.864 61.570 62.300 0.224 0.000 1.007 566 V CB 1.830 33.735 31.823 0.137 0.000 1.045 566 V HN 0.747 nan 8.190 nan 0.000 0.432 567 D N 0.732 121.185 120.400 0.088 0.000 2.117 567 D HA -0.050 4.590 4.640 0.001 0.000 0.198 567 D C 0.740 176.665 176.300 -0.625 0.000 0.982 567 D CA 1.834 55.636 54.000 -0.330 0.000 0.828 567 D CB -0.155 40.450 40.800 -0.325 0.000 0.967 567 D HN 1.132 nan 8.370 nan 0.000 0.464 568 C N -3.746 115.395 119.300 -0.266 0.000 3.311 568 C HA 0.517 4.978 4.460 0.001 0.000 0.325 568 C C -2.364 172.639 174.990 0.021 0.000 1.352 568 C CA -1.113 57.821 59.018 -0.140 0.000 1.308 568 C CB 1.745 29.453 27.740 -0.054 0.000 1.619 568 C HN -0.007 nan 8.230 nan 0.000 0.469 569 P HA 0.038 nan 4.420 nan 0.000 0.239 569 P C 1.000 178.332 177.300 0.053 0.000 1.188 569 P CA 1.533 64.650 63.100 0.027 0.000 0.794 569 P CB 0.367 32.058 31.700 -0.015 0.000 0.937 570 S N -0.422 115.329 115.700 0.084 0.000 2.339 570 S HA -0.043 4.428 4.470 0.001 0.000 0.189 570 S C 2.084 176.669 174.600 -0.025 0.000 0.966 570 S CA 0.324 58.533 58.200 0.015 0.000 0.925 570 S CB -1.670 61.503 63.200 -0.045 0.000 0.890 570 S HN -0.061 nan 8.310 nan 0.000 0.539 571 Y N 2.705 123.064 120.300 0.099 0.000 2.165 571 Y HA -0.005 4.545 4.550 0.001 0.000 0.286 571 Y C 2.723 178.650 175.900 0.044 0.000 1.155 571 Y CA 1.789 59.929 58.100 0.066 0.000 1.164 571 Y CB -0.206 38.296 38.460 0.070 0.000 0.978 571 Y HN 0.506 nan 8.280 nan 0.000 0.513 572 E N -1.963 118.383 120.200 0.243 0.000 2.357 572 E HA 0.031 4.381 4.350 0.001 0.000 0.202 572 E C 0.289 177.050 176.600 0.268 0.000 0.855 572 E CA 0.328 56.853 56.400 0.209 0.000 1.048 572 E CB 0.223 30.112 29.700 0.315 0.000 1.037 572 E HN 0.173 nan 8.360 nan 0.000 0.499 573 Q N 0.510 120.450 119.800 0.233 0.000 2.494 573 Q HA -0.136 4.204 4.340 0.001 0.000 0.272 573 Q C -1.045 175.138 176.000 0.305 0.000 1.145 573 Q CA 0.161 56.085 55.803 0.201 0.000 0.943 573 Q CB -1.366 27.461 28.738 0.149 0.000 1.338 573 Q HN 0.061 nan 8.270 nan 0.000 0.492 574 V N 1.088 121.234 119.914 0.386 0.000 2.532 574 V HA 0.370 4.491 4.120 0.001 0.000 0.295 574 V C -0.048 176.294 176.094 0.414 0.000 1.041 574 V CA -0.596 61.961 62.300 0.427 0.000 0.926 574 V CB 1.155 33.235 31.823 0.428 0.000 0.992 574 V HN 0.279 nan 8.190 nan 0.000 0.457 575 F N 5.059 125.093 119.950 0.140 0.000 2.509 575 F HA 0.374 4.901 4.527 0.001 0.000 0.350 575 F C -0.548 175.312 175.800 0.099 0.000 1.220 575 F CA -1.913 56.162 58.000 0.125 0.000 1.151 575 F CB -0.244 38.796 39.000 0.067 0.000 1.379 575 F HN 0.458 nan 8.300 nan 0.000 0.610 576 W N 6.083 127.449 121.300 0.110 0.000 2.338 576 W HA 0.364 5.024 4.660 0.001 0.000 0.307 576 W C 0.988 177.404 176.519 -0.171 0.000 1.167 576 W CA -0.685 56.632 57.345 -0.048 0.000 1.208 576 W CB 1.389 30.892 29.460 0.071 0.000 1.228 576 W HN 0.276 nan 8.180 nan 0.000 0.499 577 V N 3.709 123.561 119.914 -0.103 0.000 2.287 577 V HA -0.271 3.850 4.120 0.001 0.000 0.248 577 V C 2.185 178.277 176.094 -0.003 0.000 1.053 577 V CA 2.505 64.770 62.300 -0.058 0.000 1.027 577 V CB -1.345 30.470 31.823 -0.013 0.000 0.646 577 V HN 0.955 nan 8.190 nan 0.000 0.447 578 G N 0.065 108.620 108.800 -0.408 0.000 2.446 578 G HA2 -0.291 3.669 3.960 0.001 0.000 0.217 578 G HA3 -0.291 3.669 3.960 0.001 0.000 0.217 578 G C 1.136 175.783 174.900 -0.422 0.000 1.168 578 G CA 1.305 45.927 45.100 -0.797 0.000 0.771 578 G HN 0.558 nan 8.290 nan 0.000 0.551 579 D N 0.777 120.988 120.400 -0.315 0.000 2.123 579 D HA -0.133 4.508 4.640 0.001 0.000 0.196 579 D C 2.883 179.110 176.300 -0.123 0.000 0.992 579 D CA 1.631 55.568 54.000 -0.106 0.000 0.833 579 D CB -0.439 40.314 40.800 -0.080 0.000 0.954 579 D HN 0.458 nan 8.370 nan 0.000 0.455 580 S N 0.324 115.994 115.700 -0.050 0.000 2.419 580 S HA -0.232 4.239 4.470 0.001 0.000 0.235 580 S C 1.964 176.348 174.600 -0.361 0.000 1.019 580 S CA 0.758 58.842 58.200 -0.193 0.000 0.982 580 S CB -0.215 63.135 63.200 0.251 0.000 0.789 580 S HN 0.110 nan 8.310 nan 0.000 0.490 581 R N 2.073 122.433 120.500 -0.233 0.000 2.070 581 R HA -0.073 4.267 4.340 0.001 0.000 0.233 581 R C 1.535 177.527 176.300 -0.513 0.000 1.137 581 R CA 1.970 57.895 56.100 -0.293 0.000 0.945 581 R CB -1.063 29.092 30.300 -0.241 0.000 0.845 581 R HN 0.461 nan 8.270 nan 0.000 0.430 582 N N 1.071 119.391 118.700 -0.633 0.000 2.142 582 N HA -0.118 4.623 4.740 0.001 0.000 0.186 582 N C 1.652 176.829 175.510 -0.556 0.000 1.023 582 N CA 1.352 53.875 53.050 -0.879 0.000 0.852 582 N CB -0.249 37.653 38.487 -0.976 0.000 0.998 582 N HN 0.411 nan 8.380 nan 0.000 0.424 583 E N 0.650 120.550 120.200 -0.499 0.000 2.118 583 E HA -0.110 4.240 4.350 0.001 0.000 0.195 583 E C 1.864 178.023 176.600 -0.735 0.000 0.992 583 E CA 1.104 57.184 56.400 -0.532 0.000 0.804 583 E CB -0.093 29.224 29.700 -0.638 0.000 0.741 583 E HN 0.365 nan 8.360 nan 0.000 0.458 584 A N 1.244 123.499 122.820 -0.941 0.000 1.873 584 A HA -0.148 4.172 4.320 0.001 0.000 0.215 584 A C 2.204 179.217 177.584 -0.952 0.000 1.186 584 A CA 1.003 52.511 52.037 -0.882 0.000 0.616 584 A CB -0.615 17.989 19.000 -0.660 0.000 0.823 584 A HN 0.121 nan 8.150 nan 0.000 0.442 585 L N -0.453 120.385 121.223 -0.642 0.000 2.046 585 L HA -0.172 4.169 4.340 0.001 0.000 0.208 585 L C 2.538 179.360 176.870 -0.081 0.000 1.077 585 L CA 1.171 55.796 54.840 -0.358 0.000 0.747 585 L CB -0.637 41.116 42.059 -0.510 0.000 0.896 585 L HN 0.250 nan 8.230 nan 0.000 0.432 586 V N 0.485 120.329 119.914 -0.117 0.000 2.343 586 V HA -0.301 3.820 4.120 0.001 0.000 0.247 586 V C 2.285 178.398 176.094 0.032 0.000 1.051 586 V CA 2.164 64.479 62.300 0.025 0.000 1.036 586 V CB -0.895 30.916 31.823 -0.019 0.000 0.654 586 V HN 0.593 nan 8.190 nan 0.000 0.451 587 N N -0.024 118.654 118.700 -0.037 0.000 2.104 587 N HA -0.252 4.488 4.740 0.001 0.000 0.190 587 N C 1.799 177.415 175.510 0.176 0.000 1.024 587 N CA 2.093 55.205 53.050 0.103 0.000 0.853 587 N CB -0.517 38.062 38.487 0.154 0.000 1.008 587 N HN 0.632 nan 8.380 nan 0.000 0.424 588 Y N -1.649 118.744 120.300 0.155 0.000 2.207 588 Y HA -0.244 4.307 4.550 0.001 0.000 0.287 588 Y C 1.507 177.487 175.900 0.134 0.000 1.156 588 Y CA 0.988 59.149 58.100 0.102 0.000 1.182 588 Y CB -0.198 38.278 38.460 0.027 0.000 0.979 588 Y HN 0.156 nan 8.280 nan 0.000 0.521 589 Y N -1.262 119.196 120.300 0.263 0.000 2.365 589 Y HA -0.109 4.441 4.550 0.001 0.000 0.293 589 Y C 2.330 178.313 175.900 0.138 0.000 1.119 589 Y CA 0.963 59.186 58.100 0.205 0.000 1.203 589 Y CB -0.264 38.329 38.460 0.222 0.000 1.026 589 Y HN 0.032 nan 8.280 nan 0.000 0.549 590 V N -4.670 115.309 119.914 0.108 0.000 3.125 590 V HA 0.077 4.197 4.120 0.001 0.000 0.249 590 V C 1.229 177.136 176.094 -0.312 0.000 1.113 590 V CA 0.977 63.175 62.300 -0.168 0.000 1.106 590 V CB -0.336 31.068 31.823 -0.698 0.000 0.768 590 V HN 0.104 nan 8.190 nan 0.000 0.468 591 F N 1.292 121.347 119.950 0.174 0.000 2.581 591 F HA 0.709 5.237 4.527 0.001 0.000 0.278 591 F C 2.066 177.953 175.800 0.145 0.000 1.000 591 F CA 0.314 58.404 58.000 0.149 0.000 1.230 591 F CB -0.340 38.736 39.000 0.127 0.000 1.008 591 F HN 0.293 nan 8.300 nan 0.000 0.695 592 G N 0.697 109.706 108.800 0.348 0.000 2.141 592 G HA2 -0.204 3.757 3.960 0.001 0.000 0.242 592 G HA3 -0.204 3.757 3.960 0.001 0.000 0.242 592 G C -0.032 175.043 174.900 0.292 0.000 0.982 592 G CA -0.167 45.100 45.100 0.279 0.000 0.662 592 G HN 0.169 nan 8.290 nan 0.000 0.527 593 E N 0.207 120.585 120.200 0.297 0.000 2.366 593 E HA 0.503 4.853 4.350 0.001 0.000 0.266 593 E C 1.467 178.218 176.600 0.252 0.000 1.051 593 E CA 0.538 57.071 56.400 0.221 0.000 0.884 593 E CB 1.252 31.020 29.700 0.114 0.000 1.006 593 E HN 0.527 nan 8.360 nan 0.000 0.417 594 T N -1.744 112.947 114.554 0.229 0.000 2.989 594 T HA 0.091 4.441 4.350 0.001 0.000 0.250 594 T C 1.176 176.002 174.700 0.209 0.000 0.981 594 T CA -0.216 62.082 62.100 0.329 0.000 0.980 594 T CB 0.011 69.085 68.868 0.342 0.000 1.133 594 T HN 0.293 nan 8.240 nan 0.000 0.489 595 E N 1.183 121.454 120.200 0.118 0.000 2.118 595 E HA -0.030 4.320 4.350 0.001 0.000 0.195 595 E C 1.990 178.528 176.600 -0.102 0.000 0.992 595 E CA 1.289 57.719 56.400 0.049 0.000 0.804 595 E CB -0.216 29.543 29.700 0.098 0.000 0.741 595 E HN 0.522 nan 8.360 nan 0.000 0.458 596 I N 0.726 121.111 120.570 -0.307 0.000 2.286 596 I HA -0.239 3.932 4.170 0.001 0.000 0.248 596 I C 2.081 177.927 176.117 -0.452 0.000 1.115 596 I CA 0.839 61.776 61.300 -0.605 0.000 1.392 596 I CB 0.138 37.299 38.000 -1.398 0.000 1.065 596 I HN -0.066 nan 8.210 nan 0.000 0.418 597 V N 1.047 120.825 119.914 -0.227 0.000 2.270 597 V HA -0.297 3.823 4.120 0.001 0.000 0.245 597 V C 2.452 178.369 176.094 -0.294 0.000 1.043 597 V CA 2.345 64.621 62.300 -0.040 0.000 1.014 597 V CB -0.832 31.093 31.823 0.169 0.000 0.645 597 V HN 0.524 nan 8.190 nan 0.000 0.447 598 E N 0.436 120.331 120.200 -0.508 0.000 2.077 598 E HA -0.284 4.066 4.350 0.001 0.000 0.193 598 E C 2.430 178.919 176.600 -0.186 0.000 0.989 598 E CA 1.481 57.507 56.400 -0.622 0.000 0.800 598 E CB -0.145 29.238 29.700 -0.528 0.000 0.746 598 E HN 0.498 nan 8.360 nan 0.000 0.452 599 R N 0.031 120.441 120.500 -0.150 0.000 2.083 599 R HA -0.181 4.160 4.340 0.001 0.000 0.237 599 R C 2.290 178.557 176.300 -0.054 0.000 1.137 599 R CA 1.996 58.041 56.100 -0.091 0.000 0.951 599 R CB -0.590 29.593 30.300 -0.195 0.000 0.851 599 R HN 0.312 nan 8.270 nan 0.000 0.434 600 C N 0.603 119.807 119.300 -0.161 0.000 2.446 600 C HA -0.012 4.449 4.460 0.001 0.000 0.277 600 C C 2.626 177.805 174.990 0.316 0.000 1.275 600 C CA 0.467 59.378 59.018 -0.178 0.000 1.727 600 C CB -0.912 26.529 27.740 -0.498 0.000 2.010 600 C HN 0.525 nan 8.230 nan 0.000 0.486 601 L N 0.976 122.382 121.223 0.305 0.000 2.083 601 L HA -0.169 4.172 4.340 0.001 0.000 0.209 601 L C 2.110 179.373 176.870 0.655 0.000 1.083 601 L CA 1.680 56.879 54.840 0.599 0.000 0.752 601 L CB -0.834 41.435 42.059 0.350 0.000 0.899 601 L HN 0.521 nan 8.230 nan 0.000 0.433 602 N N -0.244 118.715 118.700 0.431 0.000 2.396 602 N HA -0.085 4.656 4.740 0.001 0.000 0.180 602 N C 1.880 177.599 175.510 0.348 0.000 1.028 602 N CA 0.462 53.746 53.050 0.391 0.000 0.893 602 N CB 0.070 38.751 38.487 0.324 0.000 0.967 602 N HN 0.289 nan 8.380 nan 0.000 0.440 603 L N 0.285 121.736 121.223 0.380 0.000 2.240 603 L HA -0.059 4.282 4.340 0.001 0.000 0.211 603 L C 2.012 179.121 176.870 0.398 0.000 1.106 603 L CA 0.408 55.518 54.840 0.451 0.000 0.793 603 L CB -0.147 42.175 42.059 0.437 0.000 0.927 603 L HN 0.051 nan 8.230 nan 0.000 0.446 604 V N 0.453 120.468 119.914 0.167 0.000 2.287 604 V HA -0.179 3.941 4.120 0.001 0.000 0.248 604 V C -0.307 175.429 176.094 -0.597 0.000 1.053 604 V CA 1.913 64.052 62.300 -0.269 0.000 1.027 604 V CB -1.571 29.762 31.823 -0.816 0.000 0.646 604 V HN 0.343 nan 8.190 nan 0.000 0.447 605 P HA -0.078 nan 4.420 nan 0.000 0.225 605 P C 1.526 178.489 177.300 -0.561 0.000 1.148 605 P CA 1.498 64.146 63.100 -0.752 0.000 0.779 605 P CB -0.307 31.227 31.700 -0.278 0.000 0.780 606 G N -0.028 108.527 108.800 -0.408 0.000 2.559 606 G HA2 -0.185 3.776 3.960 0.001 0.000 0.216 606 G HA3 -0.185 3.776 3.960 0.001 0.000 0.216 606 G C 1.338 175.478 174.900 -1.265 0.000 1.126 606 G CA 0.818 45.439 45.100 -0.798 0.000 0.778 606 G HN 0.417 nan 8.290 nan 0.000 0.543 607 S N -0.234 114.981 115.700 -0.809 0.000 2.605 607 S HA 0.510 4.981 4.470 0.001 0.000 0.217 607 S C 2.240 176.615 174.600 -0.376 0.000 0.958 607 S CA 0.780 58.606 58.200 -0.623 0.000 0.919 607 S CB 0.478 63.568 63.200 -0.183 0.000 0.780 607 S HN 0.400 nan 8.310 nan 0.000 0.507 608 A N 2.742 125.339 122.820 -0.372 0.000 1.940 608 A HA -0.154 4.166 4.320 0.001 0.000 0.219 608 A C 1.948 179.463 177.584 -0.115 0.000 1.176 608 A CA 1.782 53.767 52.037 -0.087 0.000 0.631 608 A CB -0.741 18.212 19.000 -0.077 0.000 0.814 608 A HN 0.529 nan 8.150 nan 0.000 0.446 609 D N -0.605 119.664 120.400 -0.218 0.000 2.178 609 D HA -0.123 4.517 4.640 0.001 0.000 0.201 609 D C 1.869 178.093 176.300 -0.126 0.000 0.980 609 D CA 1.139 55.038 54.000 -0.169 0.000 0.842 609 D CB -0.144 40.533 40.800 -0.205 0.000 0.948 609 D HN 0.371 nan 8.370 nan 0.000 0.472 610 E N -0.213 119.900 120.200 -0.145 0.000 2.072 610 E HA -0.037 4.314 4.350 0.001 0.000 0.190 610 E C 0.679 177.251 176.600 -0.046 0.000 0.982 610 E CA 0.682 57.036 56.400 -0.076 0.000 0.803 610 E CB 0.267 29.926 29.700 -0.069 0.000 0.755 610 E HN 0.197 nan 8.360 nan 0.000 0.453 611 T N -0.831 113.669 114.554 -0.091 0.000 3.486 611 T HA 0.158 4.508 4.350 0.001 0.000 0.375 611 T C -2.664 171.957 174.700 -0.130 0.000 1.459 611 T CA -1.082 60.941 62.100 -0.130 0.000 1.151 611 T CB 1.650 70.355 68.868 -0.273 0.000 1.336 611 T HN -0.214 nan 8.240 nan 0.000 0.477 612 P HA 0.059 nan 4.420 nan 0.000 0.228 612 P C 1.427 178.315 177.300 -0.686 0.000 1.151 612 P CA 0.546 63.359 63.100 -0.478 0.000 0.770 612 P CB 0.145 31.177 31.700 -1.112 0.000 0.786 613 L N -2.383 118.514 121.223 -0.542 0.000 2.492 613 L HA 0.089 4.429 4.340 0.001 0.000 0.223 613 L C 0.437 177.139 176.870 -0.279 0.000 1.132 613 L CA 0.050 54.528 54.840 -0.603 0.000 0.850 613 L CB -0.871 40.766 42.059 -0.704 0.000 0.966 613 L HN -0.040 nan 8.230 nan 0.000 0.454 614 Y N -1.605 118.531 120.300 -0.273 0.000 2.540 614 Y HA -0.229 4.322 4.550 0.001 0.000 0.022 614 Y C -0.059 175.662 175.900 -0.298 0.000 1.737 614 Y CA -1.164 56.769 58.100 -0.277 0.000 1.396 614 Y CB -0.498 37.783 38.460 -0.299 0.000 2.043 614 Y HN -0.114 nan 8.280 nan 0.000 0.259 615 L N 4.297 125.445 121.223 -0.125 0.000 2.461 615 L HA 0.007 4.347 4.340 0.001 0.000 0.272 615 L C 1.296 178.030 176.870 -0.227 0.000 1.197 615 L CA 0.505 55.210 54.840 -0.224 0.000 0.836 615 L CB 0.371 42.327 42.059 -0.172 0.000 1.105 615 L HN 0.638 nan 8.230 nan 0.000 0.477 616 D N -0.343 119.884 120.400 -0.289 0.000 2.347 616 D HA -0.025 4.615 4.640 0.001 0.000 0.215 616 D C -0.239 175.930 176.300 -0.218 0.000 0.976 616 D CA 0.334 54.262 54.000 -0.121 0.000 0.884 616 D CB 0.016 40.724 40.800 -0.154 0.000 0.915 616 D HN 0.525 nan 8.370 nan 0.000 0.526 617 Q N -0.121 119.348 119.800 -0.551 0.000 2.320 617 Q HA 0.630 4.971 4.340 0.001 0.000 0.272 617 Q C -0.908 174.782 176.000 -0.516 0.000 1.023 617 Q CA -1.124 54.242 55.803 -0.729 0.000 0.855 617 Q CB 2.478 30.438 28.738 -1.297 0.000 1.367 617 Q HN 0.059 nan 8.270 nan 0.000 0.406 618 V N -2.413 117.216 119.914 -0.476 0.000 3.188 618 V HA 0.897 5.017 4.120 0.001 0.000 0.305 618 V C -2.820 173.143 176.094 -0.219 0.000 1.232 618 V CA -2.491 59.596 62.300 -0.355 0.000 1.043 618 V CB 2.385 34.120 31.823 -0.147 0.000 1.068 618 V HN 0.813 nan 8.190 nan 0.000 0.439 619 P HA 0.420 nan 4.420 nan 0.000 0.287 619 P C -0.608 176.274 177.300 -0.697 0.000 1.294 619 P CA 0.320 62.583 63.100 -1.395 0.000 0.776 619 P CB 1.522 32.227 31.700 -1.658 0.000 0.889 620 S N 2.110 117.487 115.700 -0.538 0.000 2.595 620 S HA 0.626 5.097 4.470 0.001 0.000 0.281 620 S C 0.680 175.283 174.600 0.004 0.000 1.117 620 S CA -0.403 57.696 58.200 -0.169 0.000 0.873 620 S CB 1.338 64.418 63.200 -0.200 0.000 1.108 620 S HN 0.331 nan 8.310 nan 0.000 0.477 621 A N 1.599 124.457 122.820 0.062 0.000 2.275 621 A HA 0.243 4.564 4.320 0.001 0.000 0.212 621 A C -0.024 177.679 177.584 0.199 0.000 1.201 621 A CA -0.217 51.903 52.037 0.137 0.000 0.843 621 A CB -0.252 18.833 19.000 0.142 0.000 0.873 621 A HN 0.712 nan 8.150 nan 0.000 0.492 622 W N 1.175 122.381 121.300 -0.156 0.000 2.317 622 W HA 0.550 5.210 4.660 0.001 0.000 0.327 622 W C -0.019 176.415 176.519 -0.141 0.000 1.036 622 W CA -1.500 55.728 57.345 -0.196 0.000 1.419 622 W CB 0.461 29.564 29.460 -0.595 0.000 1.253 622 W HN 0.026 nan 8.180 nan 0.000 0.392 623 S N 5.198 120.980 115.700 0.137 0.000 2.700 623 S HA 0.309 4.779 4.470 0.001 0.000 0.321 623 S C -0.193 174.324 174.600 -0.139 0.000 1.161 623 S CA 0.149 58.358 58.200 0.015 0.000 1.078 623 S CB -0.413 62.869 63.200 0.136 0.000 1.302 623 S HN 0.425 nan 8.310 nan 0.000 0.540 624 S N 3.933 119.319 115.700 -0.525 0.000 2.536 624 S HA 0.764 5.235 4.470 0.001 0.000 0.287 624 S C -1.144 173.177 174.600 -0.465 0.000 1.101 624 S CA -0.549 57.273 58.200 -0.630 0.000 0.950 624 S CB 1.425 63.653 63.200 -1.620 0.000 1.056 624 S HN 0.432 nan 8.310 nan 0.000 0.481 625 V N 5.207 124.943 119.914 -0.297 0.000 2.709 625 V HA 0.609 4.730 4.120 0.001 0.000 0.308 625 V C -0.832 175.109 176.094 -0.254 0.000 1.062 625 V CA -0.587 61.521 62.300 -0.320 0.000 0.901 625 V CB 1.791 33.364 31.823 -0.417 0.000 1.003 625 V HN 0.867 nan 8.190 nan 0.000 0.425 626 I N 5.962 126.304 120.570 -0.380 0.000 2.476 626 I HA 0.301 4.471 4.170 0.001 0.000 0.281 626 I C -1.834 174.001 176.117 -0.470 0.000 1.040 626 I CA -1.771 59.180 61.300 -0.581 0.000 1.094 626 I CB 2.539 39.799 38.000 -1.234 0.000 1.219 626 I HN 0.415 nan 8.210 nan 0.000 0.450 627 P HA -0.204 nan 4.420 nan 0.000 0.217 627 P C 1.002 177.527 177.300 -1.292 0.000 1.162 627 P CA 1.868 64.520 63.100 -0.747 0.000 0.901 627 P CB 0.099 31.534 31.700 -0.442 0.000 0.793 628 N N -1.973 116.275 118.700 -0.754 0.000 2.149 628 N HA -0.187 4.553 4.740 0.001 0.000 0.188 628 N C 1.861 176.944 175.510 -0.711 0.000 1.019 628 N CA 0.838 53.448 53.050 -0.734 0.000 0.857 628 N CB -0.388 37.848 38.487 -0.417 0.000 0.997 628 N HN 0.291 nan 8.380 nan 0.000 0.426 629 W N 0.911 121.825 121.300 -0.644 0.000 2.358 629 W HA -0.136 4.524 4.660 0.001 0.000 0.303 629 W C 2.120 178.543 176.519 -0.161 0.000 1.208 629 W CA 0.530 57.724 57.345 -0.250 0.000 1.274 629 W CB -0.315 29.076 29.460 -0.115 0.000 1.138 629 W HN 0.111 nan 8.180 nan 0.000 0.515 630 T N 0.593 115.112 114.554 -0.058 0.000 2.821 630 T HA -0.164 4.187 4.350 0.001 0.000 0.267 630 T C 1.293 176.094 174.700 0.169 0.000 1.046 630 T CA 1.181 63.314 62.100 0.055 0.000 1.139 630 T CB -0.474 68.349 68.868 -0.075 0.000 0.871 630 T HN -0.087 nan 8.240 nan 0.000 0.454 631 F N 0.685 120.534 119.950 -0.168 0.000 2.186 631 F HA 0.117 4.644 4.527 0.001 0.000 0.299 631 F C 1.821 177.606 175.800 -0.025 0.000 1.090 631 F CA -0.213 57.666 58.000 -0.201 0.000 1.307 631 F CB -1.193 37.566 39.000 -0.403 0.000 1.019 631 F HN 0.158 nan 8.300 nan 0.000 0.489 632 F N -1.730 118.300 119.950 0.133 0.000 2.325 632 F HA -0.137 4.391 4.527 0.001 0.000 0.299 632 F C 2.210 178.098 175.800 0.146 0.000 1.090 632 F CA -0.071 57.954 58.000 0.042 0.000 1.392 632 F CB -1.552 37.412 39.000 -0.059 0.000 1.053 632 F HN 0.103 nan 8.300 nan 0.000 0.521 633 W N 1.137 122.582 121.300 0.242 0.000 2.381 633 W HA -0.120 4.540 4.660 0.001 0.000 0.301 633 W C 2.052 178.722 176.519 0.252 0.000 1.205 633 W CA 1.555 59.039 57.345 0.232 0.000 1.285 633 W CB -0.543 29.055 29.460 0.231 0.000 1.133 633 W HN -0.023 nan 8.180 nan 0.000 0.521 634 I N 0.345 120.996 120.570 0.134 0.000 2.226 634 I HA -0.333 3.838 4.170 0.001 0.000 0.245 634 I C 2.642 178.749 176.117 -0.018 0.000 1.100 634 I CA 1.325 62.568 61.300 -0.094 0.000 1.374 634 I CB -0.812 37.259 38.000 0.118 0.000 1.057 634 I HN 0.065 nan 8.210 nan 0.000 0.413 635 L N 0.752 122.038 121.223 0.106 0.000 2.012 635 L HA -0.255 4.085 4.340 0.001 0.000 0.210 635 L C 2.800 179.722 176.870 0.087 0.000 1.073 635 L CA 1.860 56.771 54.840 0.119 0.000 0.748 635 L CB -0.388 41.776 42.059 0.175 0.000 0.891 635 L HN 0.262 nan 8.230 nan 0.000 0.431 636 A N -1.068 121.793 122.820 0.069 0.000 1.940 636 A HA -0.260 4.061 4.320 0.001 0.000 0.219 636 A C 2.334 179.982 177.584 0.106 0.000 1.176 636 A CA 1.855 53.935 52.037 0.071 0.000 0.631 636 A CB -1.249 17.796 19.000 0.075 0.000 0.814 636 A HN 0.649 nan 8.150 nan 0.000 0.446 637 C N -1.267 118.028 119.300 -0.009 0.000 2.432 637 C HA -0.065 4.395 4.460 0.001 0.000 0.277 637 C C 2.825 177.982 174.990 0.278 0.000 1.249 637 C CA 1.200 60.298 59.018 0.132 0.000 1.725 637 C CB -1.209 26.449 27.740 -0.136 0.000 2.028 637 C HN 0.741 nan 8.230 nan 0.000 0.477 638 R N 1.164 121.762 120.500 0.163 0.000 2.073 638 R HA -0.161 4.179 4.340 0.001 0.000 0.234 638 R C 2.029 178.439 176.300 0.183 0.000 1.134 638 R CA 1.845 58.047 56.100 0.170 0.000 0.952 638 R CB -0.362 30.012 30.300 0.123 0.000 0.850 638 R HN 0.598 nan 8.270 nan 0.000 0.433 639 E N -0.734 119.576 120.200 0.184 0.000 2.110 639 E HA -0.244 4.106 4.350 0.001 0.000 0.193 639 E C 1.719 178.471 176.600 0.252 0.000 0.988 639 E CA 1.433 57.955 56.400 0.204 0.000 0.804 639 E CB -0.215 29.608 29.700 0.205 0.000 0.745 639 E HN 0.433 nan 8.360 nan 0.000 0.458 640 Y N 1.008 121.411 120.300 0.171 0.000 2.200 640 Y HA -0.139 4.411 4.550 0.001 0.000 0.290 640 Y C 2.199 178.162 175.900 0.105 0.000 1.137 640 Y CA 1.323 59.505 58.100 0.137 0.000 1.163 640 Y CB -0.322 38.139 38.460 0.001 0.000 0.988 640 Y HN -0.020 nan 8.280 nan 0.000 0.518 641 A N 0.563 123.497 122.820 0.189 0.000 1.933 641 A HA -0.108 4.212 4.320 0.001 0.000 0.218 641 A C 2.375 179.971 177.584 0.020 0.000 1.175 641 A CA 1.901 54.030 52.037 0.154 0.000 0.628 641 A CB -1.430 17.768 19.000 0.330 0.000 0.814 641 A HN 0.607 nan 8.150 nan 0.000 0.444 642 A N -1.261 121.585 122.820 0.044 0.000 1.929 642 A HA -0.057 4.264 4.320 0.001 0.000 0.216 642 A C 1.980 179.539 177.584 -0.041 0.000 1.176 642 A CA 1.854 53.892 52.037 0.000 0.000 0.628 642 A CB -0.766 18.246 19.000 0.019 0.000 0.816 642 A HN 0.747 nan 8.150 nan 0.000 0.444 643 H N 0.688 119.675 119.070 -0.138 0.000 2.321 643 H HA -0.117 4.440 4.556 0.001 0.000 0.300 643 H C 2.304 177.574 175.328 -0.097 0.000 1.087 643 H CA 2.801 58.769 56.048 -0.133 0.000 1.319 643 H CB -0.157 29.346 29.762 -0.432 0.000 1.379 643 H HN 0.499 nan 8.280 nan 0.000 0.501 644 T N -3.773 110.604 114.554 -0.295 0.000 3.054 644 T HA 0.159 4.509 4.350 0.001 0.000 0.259 644 T C 1.783 176.381 174.700 -0.169 0.000 1.092 644 T CA 0.633 62.547 62.100 -0.309 0.000 1.121 644 T CB -0.354 68.238 68.868 -0.461 0.000 0.912 644 T HN 0.629 nan 8.240 nan 0.000 0.489 645 G N 1.974 110.701 108.800 -0.122 0.000 2.160 645 G HA2 -0.302 3.659 3.960 0.001 0.000 0.251 645 G HA3 -0.302 3.659 3.960 0.001 0.000 0.251 645 G C -0.054 174.838 174.900 -0.014 0.000 1.008 645 G CA 0.177 45.246 45.100 -0.052 0.000 0.724 645 G HN 0.802 nan 8.290 nan 0.000 0.514 646 N N 0.234 118.928 118.700 -0.010 0.000 2.605 646 N HA 0.295 5.036 4.740 0.001 0.000 0.258 646 N C 1.438 177.055 175.510 0.179 0.000 1.156 646 N CA -0.026 53.076 53.050 0.086 0.000 1.008 646 N CB 0.071 38.621 38.487 0.105 0.000 1.354 646 N HN 0.529 nan 8.380 nan 0.000 0.509 647 E N 1.657 121.928 120.200 0.118 0.000 2.153 647 E HA -0.211 4.140 4.350 0.001 0.000 0.194 647 E C 1.875 178.555 176.600 0.133 0.000 0.988 647 E CA 1.023 57.489 56.400 0.110 0.000 0.811 647 E CB 0.071 29.807 29.700 0.059 0.000 0.746 647 E HN 0.731 nan 8.360 nan 0.000 0.466 648 A N 1.009 123.918 122.820 0.149 0.000 1.908 648 A HA -0.209 4.112 4.320 0.001 0.000 0.218 648 A C 1.973 179.674 177.584 0.194 0.000 1.181 648 A CA 1.248 53.375 52.037 0.150 0.000 0.627 648 A CB -0.743 18.346 19.000 0.149 0.000 0.818 648 A HN 0.408 nan 8.150 nan 0.000 0.445 649 F N 0.958 121.004 119.950 0.160 0.000 2.146 649 F HA -0.001 4.526 4.527 0.001 0.000 0.298 649 F C 2.430 178.352 175.800 0.205 0.000 1.096 649 F CA 1.228 59.353 58.000 0.209 0.000 1.275 649 F CB -0.354 38.839 39.000 0.322 0.000 1.008 649 F HN 0.244 nan 8.300 nan 0.000 0.480 650 A N 0.798 123.661 122.820 0.072 0.000 1.908 650 A HA -0.127 4.194 4.320 0.001 0.000 0.218 650 A C 2.422 179.993 177.584 -0.021 0.000 1.181 650 A CA 1.956 53.983 52.037 -0.016 0.000 0.627 650 A CB -1.608 17.460 19.000 0.114 0.000 0.818 650 A HN 0.559 nan 8.150 nan 0.000 0.445 651 A N -0.388 122.448 122.820 0.028 0.000 1.898 651 A HA -0.137 4.183 4.320 0.001 0.000 0.216 651 A C 2.251 179.880 177.584 0.075 0.000 1.181 651 A CA 1.418 53.501 52.037 0.075 0.000 0.620 651 A CB -0.440 18.601 19.000 0.068 0.000 0.819 651 A HN 0.548 nan 8.150 nan 0.000 0.442 652 R N -1.398 119.101 120.500 -0.003 0.000 2.092 652 R HA -0.030 4.311 4.340 0.001 0.000 0.231 652 R C 1.760 178.035 176.300 -0.041 0.000 1.119 652 R CA 1.454 57.551 56.100 -0.004 0.000 0.970 652 R CB -0.331 29.977 30.300 0.013 0.000 0.864 652 R HN 0.508 nan 8.270 nan 0.000 0.440 653 I N 0.152 120.595 120.570 -0.213 0.000 3.030 653 I HA -0.122 4.049 4.170 0.001 0.000 0.270 653 I C 1.879 178.047 176.117 0.084 0.000 1.211 653 I CA 0.178 61.395 61.300 -0.139 0.000 1.479 653 I CB -0.158 37.528 38.000 -0.522 0.000 1.105 653 I HN 0.281 nan 8.210 nan 0.000 0.447 654 W N 2.726 123.997 121.300 -0.048 0.000 2.304 654 W HA -0.251 4.409 4.660 0.001 0.000 0.315 654 W C -0.847 175.755 176.519 0.138 0.000 1.233 654 W CA 1.580 58.954 57.345 0.048 0.000 1.261 654 W CB -1.648 27.832 29.460 0.034 0.000 1.150 654 W HN 0.107 nan 8.180 nan 0.000 0.494 655 P HA -0.200 nan 4.420 nan 0.000 0.215 655 P C 1.732 178.984 177.300 -0.080 0.000 1.157 655 P CA 3.360 66.318 63.100 -0.236 0.000 0.874 655 P CB -0.583 31.094 31.700 -0.038 0.000 0.790 656 A N -0.907 121.977 122.820 0.107 0.000 1.972 656 A HA -0.140 4.180 4.320 0.001 0.000 0.219 656 A C 2.302 180.184 177.584 0.497 0.000 1.169 656 A CA 1.645 53.893 52.037 0.351 0.000 0.635 656 A CB -1.627 17.631 19.000 0.430 0.000 0.810 656 A HN 0.036 nan 8.150 nan 0.000 0.446 657 V N 0.139 120.241 119.914 0.313 0.000 2.307 657 V HA -0.235 3.886 4.120 0.001 0.000 0.245 657 V C 2.518 178.631 176.094 0.031 0.000 1.045 657 V CA 2.287 64.748 62.300 0.267 0.000 1.024 657 V CB -0.606 31.317 31.823 0.166 0.000 0.651 657 V HN 0.690 nan 8.190 nan 0.000 0.449 658 K N -0.312 119.858 120.400 -0.383 0.000 2.026 658 K HA -0.284 4.036 4.320 0.001 0.000 0.208 658 K C 2.273 178.928 176.600 0.092 0.000 1.048 658 K CA 2.095 58.224 56.287 -0.262 0.000 0.929 658 K CB -0.318 31.696 32.500 -0.811 0.000 0.713 658 K HN 0.619 nan 8.250 nan 0.000 0.439 659 H N 0.025 119.090 119.070 -0.008 0.000 2.289 659 H HA -0.134 4.422 4.556 0.001 0.000 0.296 659 H C 2.054 177.455 175.328 0.121 0.000 1.091 659 H CA 2.580 58.685 56.048 0.096 0.000 1.274 659 H CB -0.605 29.210 29.762 0.089 0.000 1.364 659 H HN 0.202 nan 8.280 nan 0.000 0.490 660 T N -0.552 113.924 114.554 -0.129 0.000 2.821 660 T HA -0.053 4.297 4.350 0.001 0.000 0.267 660 T C 2.252 176.976 174.700 0.040 0.000 1.046 660 T CA 1.192 63.097 62.100 -0.325 0.000 1.139 660 T CB -0.358 68.147 68.868 -0.605 0.000 0.871 660 T HN 0.307 nan 8.240 nan 0.000 0.454 661 L N 0.571 121.806 121.223 0.021 0.000 2.083 661 L HA -0.083 4.258 4.340 0.001 0.000 0.209 661 L C 2.915 179.720 176.870 -0.110 0.000 1.083 661 L CA 1.445 56.209 54.840 -0.126 0.000 0.752 661 L CB -0.853 40.833 42.059 -0.623 0.000 0.899 661 L HN 0.306 nan 8.230 nan 0.000 0.433 662 T N -1.797 112.765 114.554 0.014 0.000 2.720 662 T HA -0.232 4.119 4.350 0.001 0.000 0.268 662 T C 1.694 176.343 174.700 -0.085 0.000 1.037 662 T CA 1.644 63.779 62.100 0.059 0.000 1.144 662 T CB -0.294 68.620 68.868 0.077 0.000 0.864 662 T HN 0.407 nan 8.240 nan 0.000 0.444 663 H N -0.842 118.152 119.070 -0.126 0.000 2.462 663 H HA 0.112 4.669 4.556 0.001 0.000 0.292 663 H C 1.748 177.046 175.328 -0.049 0.000 1.049 663 H CA 0.921 56.878 56.048 -0.152 0.000 1.334 663 H CB -0.280 29.296 29.762 -0.311 0.000 1.404 663 H HN 0.422 nan 8.280 nan 0.000 0.544 664 Y N 0.128 120.479 120.300 0.085 0.000 2.293 664 Y HA -0.118 4.432 4.550 0.001 0.000 0.291 664 Y C 2.130 178.099 175.900 0.114 0.000 1.137 664 Y CA 0.736 58.911 58.100 0.126 0.000 1.202 664 Y CB -0.132 38.397 38.460 0.114 0.000 0.990 664 Y HN 0.131 nan 8.280 nan 0.000 0.537 665 L N -0.266 121.051 121.223 0.156 0.000 2.131 665 L HA -0.213 4.128 4.340 0.001 0.000 0.210 665 L C 1.849 178.743 176.870 0.041 0.000 1.092 665 L CA 1.336 56.222 54.840 0.077 0.000 0.759 665 L CB -0.406 41.677 42.059 0.041 0.000 0.903 665 L HN 0.289 nan 8.230 nan 0.000 0.435 666 E N -1.024 119.165 120.200 -0.017 0.000 2.409 666 E HA -0.158 4.193 4.350 0.001 0.000 0.198 666 E C 1.378 177.860 176.600 -0.197 0.000 1.024 666 E CA 0.445 56.767 56.400 -0.129 0.000 0.861 666 E CB 0.018 29.582 29.700 -0.227 0.000 0.788 666 E HN 0.572 nan 8.360 nan 0.000 0.521 667 H N -0.346 118.718 119.070 -0.011 0.000 2.526 667 H HA 0.172 4.729 4.556 0.001 0.000 0.274 667 H C 0.296 175.637 175.328 0.021 0.000 0.999 667 H CA 0.217 56.266 56.048 0.002 0.000 1.157 667 H CB 0.380 30.145 29.762 0.005 0.000 1.407 667 H HN 0.089 nan 8.280 nan 0.000 0.568 668 I N 3.004 123.626 120.570 0.088 0.000 2.325 668 I HA 0.010 4.180 4.170 0.001 0.000 0.291 668 I C 0.278 176.411 176.117 0.027 0.000 1.019 668 I CA -0.528 60.809 61.300 0.063 0.000 1.302 668 I CB 1.096 39.127 38.000 0.052 0.000 1.401 668 I HN 0.192 nan 8.210 nan 0.000 0.485 669 D N 3.597 124.013 120.400 0.027 0.000 2.560 669 D HA 0.165 4.805 4.640 0.001 0.000 0.277 669 D C 0.666 176.973 176.300 0.013 0.000 1.194 669 D CA -0.431 53.577 54.000 0.012 0.000 1.092 669 D CB 0.362 41.170 40.800 0.013 0.000 1.169 669 D HN 0.302 nan 8.370 nan 0.000 0.607 670 D N -0.481 119.925 120.400 0.010 0.000 2.157 670 D HA -0.242 4.398 4.640 0.001 0.000 0.191 670 D C 2.060 178.369 176.300 0.015 0.000 1.004 670 D CA 2.648 56.654 54.000 0.011 0.000 0.854 670 D CB -0.813 39.992 40.800 0.009 0.000 0.936 670 D HN 0.477 nan 8.370 nan 0.000 0.446 671 S N -0.713 114.998 115.700 0.018 0.000 2.465 671 S HA -0.021 4.450 4.470 0.001 0.000 0.241 671 S C 1.838 176.453 174.600 0.024 0.000 1.000 671 S CA 1.375 59.588 58.200 0.022 0.000 0.964 671 S CB -0.393 62.821 63.200 0.023 0.000 0.763 671 S HN 0.497 nan 8.310 nan 0.000 0.512 672 G N 0.342 109.156 108.800 0.023 0.000 2.136 672 G HA2 -0.202 3.758 3.960 0.001 0.000 0.242 672 G HA3 -0.202 3.758 3.960 0.001 0.000 0.242 672 G C -0.200 174.715 174.900 0.027 0.000 0.989 672 G CA 0.385 45.499 45.100 0.024 0.000 0.682 672 G HN 0.577 nan 8.290 nan 0.000 0.522 673 L N -0.714 120.526 121.223 0.029 0.000 2.323 673 L HA 0.708 5.048 4.340 0.001 0.000 0.265 673 L C 0.365 177.260 176.870 0.042 0.000 1.012 673 L CA -1.509 53.349 54.840 0.030 0.000 0.820 673 L CB 1.707 43.781 42.059 0.024 0.000 1.334 673 L HN 0.064 nan 8.230 nan 0.000 0.427 674 L N 2.802 124.054 121.223 0.049 0.000 2.433 674 L HA 0.216 4.556 4.340 0.001 0.000 0.275 674 L C -0.291 176.620 176.870 0.068 0.000 1.128 674 L CA 0.691 55.581 54.840 0.084 0.000 0.875 674 L CB -0.235 41.888 42.059 0.108 0.000 1.171 674 L HN 0.483 nan 8.230 nan 0.000 0.463 675 N N 6.588 125.340 118.700 0.086 0.000 2.442 675 N HA 0.548 5.288 4.740 0.001 0.000 0.274 675 N C -1.441 174.126 175.510 0.095 0.000 1.002 675 N CA -0.311 52.779 53.050 0.066 0.000 0.910 675 N CB 1.094 39.614 38.487 0.054 0.000 1.244 675 N HN 0.652 nan 8.380 nan 0.000 0.492 676 M N 1.414 121.049 119.600 0.058 0.000 2.484 676 M HA 0.506 4.987 4.480 0.001 0.000 0.289 676 M C -0.751 175.570 176.300 0.035 0.000 1.206 676 M CA -0.978 54.349 55.300 0.044 0.000 0.892 676 M CB 2.390 34.968 32.600 -0.038 0.000 1.712 676 M HN 0.489 nan 8.290 nan 0.000 0.462 677 A N 1.769 124.612 122.820 0.039 0.000 2.444 677 A HA 0.848 5.168 4.320 0.001 0.000 0.332 677 A C 0.011 177.622 177.584 0.044 0.000 1.430 677 A CA -0.082 51.984 52.037 0.047 0.000 0.975 677 A CB -0.167 18.862 19.000 0.049 0.000 1.147 677 A HN 0.994 nan 8.150 nan 0.000 0.524 678 G N 0.313 109.153 108.800 0.067 0.000 2.427 678 G HA2 0.350 4.311 3.960 0.001 0.000 0.306 678 G HA3 0.350 4.311 3.960 0.001 0.000 0.306 678 G C -1.699 173.314 174.900 0.188 0.000 1.280 678 G CA -0.666 44.491 45.100 0.097 0.000 0.837 678 G HN 0.596 nan 8.290 nan 0.000 0.482 679 W N 2.639 123.918 121.300 -0.035 0.000 2.430 679 W HA 0.436 5.096 4.660 0.001 0.000 0.380 679 W C 0.042 176.494 176.519 -0.111 0.000 1.045 679 W CA -1.465 55.852 57.345 -0.045 0.000 1.547 679 W CB -0.772 28.649 29.460 -0.066 0.000 1.554 679 W HN 0.382 nan 8.180 nan 0.000 0.378 680 N N 5.126 123.911 118.700 0.141 0.000 3.331 680 N HA 0.092 4.832 4.740 0.001 0.000 0.303 680 N C -0.330 175.195 175.510 0.024 0.000 1.326 680 N CA -0.466 52.597 53.050 0.022 0.000 1.207 680 N CB 0.338 38.845 38.487 0.034 0.000 1.477 680 N HN 0.195 nan 8.380 nan 0.000 0.541 681 L N 0.743 121.771 121.223 -0.324 0.000 2.399 681 L HA 0.399 4.740 4.340 0.001 0.000 0.265 681 L C 0.235 176.837 176.870 -0.446 0.000 1.089 681 L CA -0.064 54.498 54.840 -0.463 0.000 0.802 681 L CB 1.235 42.646 42.059 -1.080 0.000 1.180 681 L HN 0.224 nan 8.230 nan 0.000 0.454 682 L N 0.921 121.914 121.223 -0.384 0.000 2.511 682 L HA 0.539 4.879 4.340 0.001 0.000 0.173 682 L C -0.743 176.097 176.870 -0.050 0.000 1.160 682 L CA 0.388 55.076 54.840 -0.253 0.000 0.964 682 L CB 0.038 41.632 42.059 -0.776 0.000 1.892 682 L HN 0.725 nan 8.230 nan 0.000 0.497 683 D N -1.702 118.596 120.400 -0.171 0.000 2.523 683 D HA 0.303 4.944 4.640 0.001 0.000 0.236 683 D C -1.483 174.709 176.300 -0.180 0.000 1.094 683 D CA -0.314 53.598 54.000 -0.146 0.000 0.942 683 D CB 1.266 42.031 40.800 -0.058 0.000 1.447 683 D HN 0.114 nan 8.370 nan 0.000 0.479 684 W N 2.147 123.498 121.300 0.084 0.000 1.664 684 W HA 0.616 5.276 4.660 0.001 0.000 0.428 684 W C 0.027 176.556 176.519 0.016 0.000 0.726 684 W CA -0.450 56.941 57.345 0.076 0.000 1.774 684 W CB 0.233 29.731 29.460 0.064 0.000 1.801 684 W HN 0.360 nan 8.180 nan 0.000 0.243 685 A N 1.490 124.476 122.820 0.277 0.000 2.609 685 A HA 0.562 4.882 4.320 0.001 0.000 0.291 685 A C -2.546 175.210 177.584 0.288 0.000 1.096 685 A CA -1.449 50.784 52.037 0.326 0.000 0.684 685 A CB 1.001 20.139 19.000 0.230 0.000 1.282 685 A HN 0.057 nan 8.150 nan 0.000 0.412 686 P HA 0.083 nan 4.420 nan 0.000 0.299 686 P C -0.386 176.997 177.300 0.138 0.000 1.515 686 P CA 0.460 63.675 63.100 0.191 0.000 0.770 686 P CB -0.678 31.117 31.700 0.159 0.000 1.614 687 I N 0.148 120.801 120.570 0.138 0.000 2.692 687 I HA -0.019 4.151 4.170 0.001 0.000 0.284 687 I C 1.058 177.222 176.117 0.078 0.000 1.159 687 I CA 0.054 61.411 61.300 0.094 0.000 1.423 687 I CB 0.352 38.421 38.000 0.115 0.000 1.380 687 I HN -0.146 nan 8.210 nan 0.000 0.580 688 D N 6.793 127.206 120.400 0.021 0.000 2.508 688 D HA 0.032 4.672 4.640 0.001 0.000 0.224 688 D C -0.156 176.126 176.300 -0.031 0.000 1.171 688 D CA -0.108 53.897 54.000 0.008 0.000 1.006 688 D CB 0.177 40.956 40.800 -0.036 0.000 1.073 688 D HN 0.434 nan 8.370 nan 0.000 0.513 689 Q N 2.439 122.260 119.800 0.036 0.000 2.851 689 Q HA 0.366 4.706 4.340 0.001 0.000 0.331 689 Q C -2.559 173.479 176.000 0.063 0.000 0.979 689 Q CA -1.741 54.078 55.803 0.027 0.000 0.955 689 Q CB 1.077 29.912 28.738 0.163 0.000 1.298 689 Q HN 0.169 nan 8.270 nan 0.000 0.432 690 P HA 0.045 nan 4.420 nan 0.000 0.272 690 P C -0.150 177.199 177.300 0.082 0.000 1.223 690 P CA -0.199 62.953 63.100 0.087 0.000 0.784 690 P CB 0.857 32.632 31.700 0.124 0.000 0.923 691 N N 0.881 119.648 118.700 0.112 0.000 2.571 691 N HA -0.062 4.679 4.740 0.001 0.000 0.189 691 N C 1.067 176.626 175.510 0.082 0.000 1.154 691 N CA 0.473 53.594 53.050 0.118 0.000 0.907 691 N CB 0.175 38.743 38.487 0.136 0.000 0.977 691 N HN 0.543 nan 8.380 nan 0.000 0.449 692 E N 0.489 120.733 120.200 0.072 0.000 1.989 692 E HA -0.019 4.331 4.350 0.001 0.000 0.214 692 E C 1.590 178.212 176.600 0.037 0.000 0.915 692 E CA 1.024 57.462 56.400 0.063 0.000 1.012 692 E CB -0.068 29.691 29.700 0.098 0.000 0.865 692 E HN 0.249 nan 8.360 nan 0.000 0.577 693 G N 0.549 109.355 108.800 0.011 0.000 2.727 693 G HA2 0.269 4.229 3.960 0.001 0.000 0.212 693 G HA3 0.269 4.229 3.960 0.001 0.000 0.212 693 G C 0.020 174.904 174.900 -0.026 0.000 2.076 693 G CA -0.495 44.605 45.100 0.001 0.000 0.744 693 G HN 0.159 nan 8.290 nan 0.000 0.775 694 I N 2.297 122.837 120.570 -0.050 0.000 2.294 694 I HA 0.260 4.430 4.170 0.001 0.000 0.295 694 I C -0.652 175.388 176.117 -0.128 0.000 1.098 694 I CA -0.255 61.007 61.300 -0.063 0.000 1.277 694 I CB 1.228 39.203 38.000 -0.041 0.000 1.434 694 I HN -0.187 nan 8.210 nan 0.000 0.498 695 V N 6.056 125.876 119.914 -0.156 0.000 2.383 695 V HA 0.085 4.206 4.120 0.001 0.000 0.275 695 V C 1.213 177.127 176.094 -0.301 0.000 1.036 695 V CA -0.193 61.934 62.300 -0.288 0.000 0.889 695 V CB 1.147 32.736 31.823 -0.389 0.000 0.985 695 V HN 0.787 nan 8.190 nan 0.000 0.459 696 T N 3.627 118.023 114.554 -0.264 0.000 2.652 696 T HA -0.236 4.115 4.350 0.001 0.000 0.267 696 T C 1.854 176.454 174.700 -0.167 0.000 1.039 696 T CA 2.684 64.684 62.100 -0.167 0.000 1.153 696 T CB -0.352 68.463 68.868 -0.088 0.000 0.863 696 T HN 1.052 nan 8.240 nan 0.000 0.428 697 H N 2.556 121.579 119.070 -0.078 0.000 2.353 697 H HA -0.148 4.408 4.556 0.001 0.000 0.298 697 H C 2.146 177.459 175.328 -0.026 0.000 1.103 697 H CA 1.955 57.937 56.048 -0.109 0.000 1.293 697 H CB -1.034 28.700 29.762 -0.048 0.000 1.372 697 H HN 0.598 nan 8.280 nan 0.000 0.501 698 Q N -0.017 119.972 119.800 0.315 0.000 2.297 698 Q HA -0.050 4.291 4.340 0.001 0.000 0.204 698 Q C 1.590 177.719 176.000 0.216 0.000 0.962 698 Q CA 0.921 56.965 55.803 0.402 0.000 0.879 698 Q CB -0.086 28.849 28.738 0.328 0.000 0.947 698 Q HN 0.492 nan 8.270 nan 0.000 0.462 699 N N 1.065 119.790 118.700 0.042 0.000 2.171 699 N HA -0.034 4.706 4.740 0.001 0.000 0.184 699 N C 1.875 177.337 175.510 -0.080 0.000 1.021 699 N CA 0.984 54.025 53.050 -0.015 0.000 0.854 699 N CB 0.021 38.487 38.487 -0.035 0.000 0.994 699 N HN 0.292 nan 8.380 nan 0.000 0.426 700 L N -0.309 120.838 121.223 -0.126 0.000 2.056 700 L HA -0.102 4.238 4.340 0.001 0.000 0.207 700 L C 2.078 178.821 176.870 -0.212 0.000 1.078 700 L CA 1.106 55.812 54.840 -0.224 0.000 0.749 700 L CB -0.515 41.328 42.059 -0.361 0.000 0.901 700 L HN 0.088 nan 8.230 nan 0.000 0.433 701 F N -0.753 119.130 119.950 -0.113 0.000 2.293 701 F HA -0.217 4.310 4.527 0.001 0.000 0.300 701 F C 2.272 177.753 175.800 -0.532 0.000 1.086 701 F CA 0.285 58.181 58.000 -0.172 0.000 1.375 701 F CB 0.028 39.029 39.000 0.002 0.000 1.045 701 F HN 0.069 nan 8.300 nan 0.000 0.516 702 L N -0.182 120.728 121.223 -0.523 0.000 2.093 702 L HA -0.127 4.214 4.340 0.001 0.000 0.208 702 L C 2.124 178.727 176.870 -0.446 0.000 1.085 702 L CA 1.422 55.721 54.840 -0.902 0.000 0.755 702 L CB -0.799 40.918 42.059 -0.570 0.000 0.904 702 L HN -0.078 nan 8.230 nan 0.000 0.435 703 V N 0.155 119.922 119.914 -0.246 0.000 2.255 703 V HA -0.343 3.777 4.120 0.001 0.000 0.247 703 V C 2.666 178.693 176.094 -0.112 0.000 1.051 703 V CA 2.295 64.508 62.300 -0.145 0.000 1.018 703 V CB -0.761 31.000 31.823 -0.104 0.000 0.641 703 V HN 0.534 nan 8.190 nan 0.000 0.445 704 K N 0.021 120.372 120.400 -0.081 0.000 2.097 704 K HA -0.169 4.151 4.320 0.001 0.000 0.206 704 K C 2.165 178.755 176.600 -0.016 0.000 1.049 704 K CA 1.473 57.757 56.287 -0.005 0.000 0.933 704 K CB -0.294 32.263 32.500 0.095 0.000 0.717 704 K HN 0.438 nan 8.250 nan 0.000 0.442 705 A N 1.273 124.022 122.820 -0.119 0.000 1.902 705 A HA -0.118 4.202 4.320 0.001 0.000 0.217 705 A C 2.084 179.611 177.584 -0.095 0.000 1.181 705 A CA 1.195 53.152 52.037 -0.134 0.000 0.623 705 A CB -0.561 18.210 19.000 -0.382 0.000 0.818 705 A HN 0.307 nan 8.150 nan 0.000 0.443 706 L N -1.153 119.977 121.223 -0.155 0.000 2.083 706 L HA -0.207 4.133 4.340 0.001 0.000 0.209 706 L C 2.887 179.803 176.870 0.077 0.000 1.083 706 L CA 1.594 56.386 54.840 -0.080 0.000 0.752 706 L CB -0.393 41.609 42.059 -0.095 0.000 0.899 706 L HN 0.351 nan 8.230 nan 0.000 0.433 707 R N -0.463 120.063 120.500 0.043 0.000 2.062 707 R HA -0.098 4.243 4.340 0.001 0.000 0.226 707 R C 1.913 178.261 176.300 0.082 0.000 1.125 707 R CA 1.154 57.294 56.100 0.067 0.000 0.966 707 R CB -0.293 30.028 30.300 0.035 0.000 0.861 707 R HN 0.249 nan 8.270 nan 0.000 0.433 708 D N 0.428 120.874 120.400 0.075 0.000 2.221 708 D HA -0.146 4.495 4.640 0.001 0.000 0.204 708 D C 1.932 178.307 176.300 0.124 0.000 0.982 708 D CA 1.724 55.778 54.000 0.091 0.000 0.857 708 D CB -0.220 40.637 40.800 0.094 0.000 0.934 708 D HN 0.217 nan 8.370 nan 0.000 0.475 709 S N 0.406 116.213 115.700 0.178 0.000 2.419 709 S HA -0.222 4.248 4.470 0.001 0.000 0.233 709 S C 1.943 176.683 174.600 0.233 0.000 1.016 709 S CA 0.990 59.381 58.200 0.319 0.000 0.974 709 S CB -0.255 63.247 63.200 0.502 0.000 0.786 709 S HN 0.219 nan 8.310 nan 0.000 0.492 710 R N 1.770 122.349 120.500 0.131 0.000 2.091 710 R HA -0.055 4.286 4.340 0.001 0.000 0.238 710 R C 2.442 178.701 176.300 -0.069 0.000 1.136 710 R CA 1.450 57.545 56.100 -0.007 0.000 0.959 710 R CB -0.994 29.315 30.300 0.015 0.000 0.856 710 R HN 0.485 nan 8.270 nan 0.000 0.437 711 A N 1.047 123.866 122.820 -0.001 0.000 1.892 711 A HA -0.182 4.139 4.320 0.001 0.000 0.218 711 A C 2.215 179.785 177.584 -0.022 0.000 1.188 711 A CA 1.675 53.710 52.037 -0.004 0.000 0.631 711 A CB -0.650 18.373 19.000 0.038 0.000 0.822 711 A HN 0.393 nan 8.150 nan 0.000 0.447 712 L N -1.066 120.166 121.223 0.016 0.000 2.056 712 L HA -0.155 4.186 4.340 0.001 0.000 0.207 712 L C 3.115 179.871 176.870 -0.189 0.000 1.078 712 L CA 0.975 55.836 54.840 0.035 0.000 0.749 712 L CB -0.565 41.625 42.059 0.218 0.000 0.901 712 L HN 0.439 nan 8.230 nan 0.000 0.433 713 A N 0.115 122.607 122.820 -0.546 0.000 1.877 713 A HA -0.184 4.136 4.320 0.001 0.000 0.216 713 A C 2.524 179.778 177.584 -0.551 0.000 1.186 713 A CA 1.855 53.217 52.037 -1.124 0.000 0.620 713 A CB -0.742 17.418 19.000 -1.401 0.000 0.822 713 A HN 0.397 nan 8.150 nan 0.000 0.443 714 A N -0.226 122.401 122.820 -0.322 0.000 1.873 714 A HA 0.201 4.522 4.320 0.001 0.000 0.215 714 A C 2.503 180.007 177.584 -0.132 0.000 1.186 714 A CA 2.012 53.935 52.037 -0.190 0.000 0.616 714 A CB -1.052 17.874 19.000 -0.123 0.000 0.823 714 A HN 1.104 nan 8.150 nan 0.000 0.442 715 A N -0.313 122.449 122.820 -0.097 0.000 2.019 715 A HA 0.197 4.518 4.320 0.001 0.000 0.219 715 A C 2.302 179.862 177.584 -0.039 0.000 1.164 715 A CA 1.835 53.849 52.037 -0.038 0.000 0.644 715 A CB -0.736 18.272 19.000 0.013 0.000 0.805 715 A HN 1.064 nan 8.150 nan 0.000 0.449 716 A N -1.778 120.986 122.820 -0.093 0.000 2.167 716 A HA 0.394 4.715 4.320 0.001 0.000 0.214 716 A C 1.772 179.309 177.584 -0.077 0.000 1.151 716 A CA 1.244 53.239 52.037 -0.070 0.000 0.735 716 A CB -0.848 18.093 19.000 -0.100 0.000 0.802 716 A HN 1.904 nan 8.150 nan 0.000 0.467 717 G N -2.471 106.265 108.800 -0.108 0.000 2.149 717 G HA2 0.156 4.116 3.960 0.001 0.000 0.235 717 G HA3 0.156 4.116 3.960 0.001 0.000 0.235 717 G C 0.343 175.181 174.900 -0.103 0.000 1.018 717 G CA 0.261 45.312 45.100 -0.082 0.000 0.728 717 G HN 1.747 nan 8.290 nan 0.000 0.508 718 A N -0.636 122.071 122.820 -0.190 0.000 3.106 718 A HA 0.708 5.029 4.320 0.001 0.000 0.227 718 A C 1.148 178.561 177.584 -0.285 0.000 0.920 718 A CA 1.545 53.466 52.037 -0.192 0.000 1.088 718 A CB -0.095 18.809 19.000 -0.161 0.000 1.233 718 A HN 1.093 nan 8.150 nan 0.000 0.503 719 T N 0.964 115.377 114.554 -0.235 0.000 2.721 719 T HA -0.217 4.134 4.350 0.001 0.000 0.268 719 T C 1.921 176.514 174.700 -0.178 0.000 1.038 719 T CA 2.383 64.347 62.100 -0.227 0.000 1.145 719 T CB -0.249 68.533 68.868 -0.142 0.000 0.858 719 T HN 0.715 nan 8.240 nan 0.000 0.459 720 E N 1.128 121.255 120.200 -0.122 0.000 2.204 720 E HA -0.161 4.189 4.350 0.001 0.000 0.195 720 E C 1.730 178.284 176.600 -0.077 0.000 0.990 720 E CA 1.202 57.554 56.400 -0.080 0.000 0.821 720 E CB -0.662 29.007 29.700 -0.051 0.000 0.750 720 E HN 0.680 nan 8.360 nan 0.000 0.477 721 E N 0.474 120.629 120.200 -0.075 0.000 2.510 721 E HA 0.007 4.358 4.350 0.001 0.000 0.202 721 E C 1.154 177.748 176.600 -0.010 0.000 1.072 721 E CA 0.635 57.048 56.400 0.021 0.000 0.883 721 E CB 0.034 29.878 29.700 0.240 0.000 0.818 721 E HN 0.417 nan 8.360 nan 0.000 0.548 722 A N 0.112 122.872 122.820 -0.100 0.000 2.469 722 A HA 0.075 4.396 4.320 0.001 0.000 0.245 722 A C 1.027 178.596 177.584 -0.024 0.000 1.221 722 A CA -0.142 51.866 52.037 -0.049 0.000 0.946 722 A CB 0.349 19.334 19.000 -0.025 0.000 1.049 722 A HN 0.020 nan 8.150 nan 0.000 0.529 723 D N 0.813 121.180 120.400 -0.054 0.000 2.144 723 D HA -0.013 4.627 4.640 0.001 0.000 0.200 723 D C 2.140 178.444 176.300 0.007 0.000 0.978 723 D CA 1.376 55.368 54.000 -0.014 0.000 0.833 723 D CB 0.008 40.794 40.800 -0.025 0.000 0.961 723 D HN 0.448 nan 8.370 nan 0.000 0.470 724 A N 0.101 122.892 122.820 -0.048 0.000 1.902 724 A HA -0.150 4.171 4.320 0.001 0.000 0.217 724 A C 1.970 179.648 177.584 0.156 0.000 1.181 724 A CA 0.965 53.002 52.037 -0.000 0.000 0.623 724 A CB -1.013 17.940 19.000 -0.078 0.000 0.818 724 A HN 0.270 nan 8.150 nan 0.000 0.443 725 F N -0.074 119.924 119.950 0.080 0.000 2.171 725 F HA -0.165 4.363 4.527 0.001 0.000 0.300 725 F C 2.872 178.699 175.800 0.045 0.000 1.090 725 F CA 0.330 58.374 58.000 0.073 0.000 1.293 725 F CB -0.121 38.951 39.000 0.120 0.000 1.013 725 F HN 0.329 nan 8.300 nan 0.000 0.486 726 A N 0.415 123.372 122.820 0.228 0.000 1.902 726 A HA -0.141 4.179 4.320 0.001 0.000 0.217 726 A C 2.356 179.992 177.584 0.087 0.000 1.181 726 A CA 1.669 53.781 52.037 0.124 0.000 0.623 726 A CB -1.068 17.980 19.000 0.079 0.000 0.818 726 A HN 0.328 nan 8.150 nan 0.000 0.443 727 A N -0.439 122.431 122.820 0.085 0.000 1.877 727 A HA -0.151 4.170 4.320 0.001 0.000 0.216 727 A C 2.216 179.837 177.584 0.062 0.000 1.186 727 A CA 1.439 53.512 52.037 0.059 0.000 0.620 727 A CB -0.481 18.550 19.000 0.051 0.000 0.822 727 A HN 0.390 nan 8.150 nan 0.000 0.443 728 R N -0.307 120.248 120.500 0.091 0.000 2.105 728 R HA -0.120 4.220 4.340 0.001 0.000 0.239 728 R C 2.387 178.712 176.300 0.042 0.000 1.135 728 R CA 1.377 57.522 56.100 0.074 0.000 0.967 728 R CB -1.080 29.286 30.300 0.109 0.000 0.861 728 R HN 0.552 nan 8.270 nan 0.000 0.442 729 A N 1.342 124.189 122.820 0.044 0.000 1.902 729 A HA -0.195 4.125 4.320 0.001 0.000 0.217 729 A C 1.677 179.264 177.584 0.005 0.000 1.181 729 A CA 1.968 54.011 52.037 0.009 0.000 0.623 729 A CB -0.457 18.552 19.000 0.016 0.000 0.818 729 A HN 0.226 nan 8.150 nan 0.000 0.443 730 D N 0.006 120.416 120.400 0.016 0.000 2.097 730 D HA -0.109 4.531 4.640 0.001 0.000 0.195 730 D C 1.898 178.204 176.300 0.010 0.000 0.989 730 D CA 1.154 55.160 54.000 0.010 0.000 0.827 730 D CB -0.264 40.543 40.800 0.013 0.000 0.966 730 D HN 0.423 nan 8.370 nan 0.000 0.456 731 L N 0.242 121.475 121.223 0.017 0.000 2.042 731 L HA -0.148 4.192 4.340 0.001 0.000 0.210 731 L C 2.469 179.348 176.870 0.015 0.000 1.076 731 L CA 0.719 55.569 54.840 0.017 0.000 0.749 731 L CB -0.391 41.681 42.059 0.022 0.000 0.893 731 L HN 0.155 nan 8.230 nan 0.000 0.432 732 L N -0.316 120.912 121.223 0.010 0.000 2.017 732 L HA -0.210 4.131 4.340 0.001 0.000 0.208 732 L C 2.825 179.697 176.870 0.003 0.000 1.073 732 L CA 1.446 56.287 54.840 0.003 0.000 0.745 732 L CB -0.349 41.700 42.059 -0.015 0.000 0.894 732 L HN 0.263 nan 8.230 nan 0.000 0.432 733 A N -0.475 122.342 122.820 -0.005 0.000 1.908 733 A HA -0.314 4.007 4.320 0.001 0.000 0.218 733 A C 2.174 179.770 177.584 0.020 0.000 1.181 733 A CA 2.113 54.148 52.037 -0.003 0.000 0.627 733 A CB -0.650 18.342 19.000 -0.014 0.000 0.818 733 A HN 0.597 nan 8.150 nan 0.000 0.445 734 E N -0.922 119.287 120.200 0.016 0.000 2.047 734 E HA -0.153 4.197 4.350 0.001 0.000 0.191 734 E C 1.993 178.614 176.600 0.035 0.000 0.987 734 E CA 1.617 58.029 56.400 0.020 0.000 0.799 734 E CB -0.150 29.557 29.700 0.012 0.000 0.752 734 E HN 0.567 nan 8.360 nan 0.000 0.449 735 T N 1.359 115.934 114.554 0.035 0.000 2.746 735 T HA -0.140 4.210 4.350 0.001 0.000 0.267 735 T C 1.897 176.639 174.700 0.070 0.000 1.039 735 T CA 1.314 63.441 62.100 0.044 0.000 1.142 735 T CB -0.189 68.700 68.868 0.035 0.000 0.866 735 T HN 0.190 nan 8.240 nan 0.000 0.444 736 I N 1.562 122.178 120.570 0.076 0.000 2.127 736 I HA -0.204 3.967 4.170 0.001 0.000 0.241 736 I C 2.505 178.755 176.117 0.222 0.000 1.075 736 I CA 1.096 62.472 61.300 0.126 0.000 1.334 736 I CB -0.403 37.648 38.000 0.085 0.000 1.040 736 I HN 0.210 nan 8.210 nan 0.000 0.405 737 N N 0.891 119.705 118.700 0.190 0.000 2.289 737 N HA -0.104 4.636 4.740 0.001 0.000 0.184 737 N C 1.785 177.360 175.510 0.109 0.000 1.016 737 N CA 1.490 54.642 53.050 0.171 0.000 0.872 737 N CB -0.095 38.422 38.487 0.050 0.000 0.973 737 N HN 0.373 nan 8.380 nan 0.000 0.433 738 A N 0.078 122.954 122.820 0.092 0.000 1.975 738 A HA 0.057 4.377 4.320 0.001 0.000 0.215 738 A C 2.285 179.932 177.584 0.104 0.000 1.170 738 A CA 0.845 52.928 52.037 0.076 0.000 0.656 738 A CB 0.047 19.078 19.000 0.050 0.000 0.821 738 A HN 0.096 nan 8.150 nan 0.000 0.449 739 V N -0.773 119.213 119.914 0.119 0.000 2.721 739 V HA 0.061 4.182 4.120 0.001 0.000 0.236 739 V C 2.024 178.201 176.094 0.138 0.000 1.116 739 V CA 0.693 63.059 62.300 0.110 0.000 1.148 739 V CB -0.687 31.183 31.823 0.078 0.000 0.886 739 V HN 0.443 nan 8.190 nan 0.000 0.490 740 L N 0.304 121.635 121.223 0.180 0.000 2.622 740 L HA -0.019 4.321 4.340 0.001 0.000 0.233 740 L C 0.784 177.812 176.870 0.264 0.000 1.156 740 L CA 0.456 55.422 54.840 0.210 0.000 0.866 740 L CB -0.209 41.994 42.059 0.240 0.000 0.980 740 L HN 0.477 nan 8.230 nan 0.000 0.448 741 W N 1.409 122.716 121.300 0.012 0.000 2.417 741 W HA 0.260 4.921 4.660 0.001 0.000 0.317 741 W C -1.015 175.474 176.519 -0.050 0.000 1.121 741 W CA -0.606 56.648 57.345 -0.152 0.000 1.208 741 W CB 1.429 30.714 29.460 -0.292 0.000 1.253 741 W HN -0.116 nan 8.180 nan 0.000 0.533 742 D N 3.521 123.466 120.400 -0.759 0.000 2.381 742 D HA 0.095 4.736 4.640 0.001 0.000 0.235 742 D C 1.046 176.964 176.300 -0.636 0.000 1.068 742 D CA -0.102 53.623 54.000 -0.458 0.000 0.832 742 D CB 1.443 42.114 40.800 -0.216 0.000 1.101 742 D HN 0.247 nan 8.370 nan 0.000 0.515 743 E N 2.625 122.735 120.200 -0.150 0.000 2.047 743 E HA -0.198 4.153 4.350 0.001 0.000 0.191 743 E C 1.351 177.933 176.600 -0.029 0.000 0.987 743 E CA 0.777 57.210 56.400 0.055 0.000 0.799 743 E CB 0.046 29.830 29.700 0.139 0.000 0.752 743 E HN 0.756 nan 8.360 nan 0.000 0.449 744 E N 0.798 120.962 120.200 -0.061 0.000 2.077 744 E HA -0.209 4.141 4.350 0.001 0.000 0.193 744 E C 1.600 178.130 176.600 -0.117 0.000 0.989 744 E CA 1.257 57.622 56.400 -0.058 0.000 0.800 744 E CB 0.162 29.838 29.700 -0.040 0.000 0.746 744 E HN -0.109 nan 8.360 nan 0.000 0.452 745 K N 0.240 120.497 120.400 -0.238 0.000 2.361 745 K HA 0.130 4.450 4.320 0.001 0.000 0.196 745 K C -0.141 176.286 176.600 -0.289 0.000 1.039 745 K CA 0.194 56.271 56.287 -0.350 0.000 1.001 745 K CB 0.201 32.233 32.500 -0.780 0.000 0.795 745 K HN 0.100 nan 8.250 nan 0.000 0.495 746 R N -0.651 119.623 120.500 -0.378 0.000 3.146 746 R HA -0.211 4.130 4.340 0.001 0.000 0.250 746 R C -0.870 175.098 176.300 -0.552 0.000 0.912 746 R CA 0.566 56.473 56.100 -0.320 0.000 0.633 746 R CB -2.254 28.118 30.300 0.120 0.000 1.180 746 R HN 0.264 nan 8.270 nan 0.000 0.464 747 A N 0.284 122.281 122.820 -1.371 0.000 2.583 747 A HA 0.542 4.863 4.320 0.001 0.000 0.292 747 A C -1.413 175.755 177.584 -0.693 0.000 1.045 747 A CA -0.984 50.649 52.037 -0.674 0.000 0.672 747 A CB 0.651 19.649 19.000 -0.003 0.000 1.283 747 A HN 0.211 nan 8.150 nan 0.000 0.419 748 Y N 0.995 121.277 120.300 -0.029 0.000 2.309 748 Y HA 0.475 5.025 4.550 0.001 0.000 0.327 748 Y C 1.229 177.151 175.900 0.037 0.000 1.172 748 Y CA 0.182 58.332 58.100 0.083 0.000 1.280 748 Y CB 0.617 39.187 38.460 0.185 0.000 1.234 748 Y HN 0.656 nan 8.280 nan 0.000 0.512 749 I N -0.922 119.713 120.570 0.108 0.000 2.720 749 I HA 0.210 4.381 4.170 0.001 0.000 0.287 749 I C 0.428 176.458 176.117 -0.145 0.000 1.090 749 I CA -0.542 60.661 61.300 -0.163 0.000 1.384 749 I CB 0.963 38.853 38.000 -0.182 0.000 1.420 749 I HN 0.503 nan 8.210 nan 0.000 0.575 750 D N 2.914 123.155 120.400 -0.264 0.000 2.149 750 D HA -0.060 4.581 4.640 0.001 0.000 0.198 750 D C 0.514 176.694 176.300 -0.200 0.000 0.990 750 D CA 1.742 55.628 54.000 -0.189 0.000 0.839 750 D CB 0.020 40.706 40.800 -0.189 0.000 0.948 750 D HN 0.892 nan 8.370 nan 0.000 0.460 751 C N -2.333 116.830 119.300 -0.228 0.000 3.233 751 C HA 0.618 5.078 4.460 0.001 0.000 0.358 751 C C -1.373 173.471 174.990 -0.245 0.000 1.461 751 C CA -1.365 57.505 59.018 -0.247 0.000 1.180 751 C CB 0.613 28.155 27.740 -0.330 0.000 1.604 751 C HN 0.030 nan 8.230 nan 0.000 0.437 752 I N 2.230 122.665 120.570 -0.225 0.000 2.439 752 I HA 0.368 4.539 4.170 0.001 0.000 0.283 752 I C 0.181 176.199 176.117 -0.166 0.000 1.023 752 I CA -0.204 61.011 61.300 -0.142 0.000 1.100 752 I CB 1.063 39.031 38.000 -0.053 0.000 1.238 752 I HN 0.672 nan 8.210 nan 0.000 0.445 753 H N 3.758 122.814 119.070 -0.024 0.000 2.801 753 H HA 0.095 4.652 4.556 0.001 0.000 0.377 753 H C 1.145 176.470 175.328 -0.005 0.000 1.304 753 H CA 0.403 56.442 56.048 -0.014 0.000 1.451 753 H CB 0.949 30.702 29.762 -0.015 0.000 1.474 753 H HN 0.763 nan 8.280 nan 0.000 0.620 754 A N 1.345 124.250 122.820 0.142 0.000 1.940 754 A HA -0.216 4.105 4.320 0.001 0.000 0.219 754 A C 1.576 179.198 177.584 0.064 0.000 1.176 754 A CA 1.897 53.981 52.037 0.078 0.000 0.631 754 A CB -0.493 18.548 19.000 0.067 0.000 0.814 754 A HN 0.793 nan 8.150 nan 0.000 0.446 755 D N -1.901 118.541 120.400 0.071 0.000 2.338 755 D HA 0.269 4.910 4.640 0.001 0.000 0.239 755 D C 1.146 177.473 176.300 0.045 0.000 1.095 755 D CA 0.904 54.929 54.000 0.042 0.000 0.888 755 D CB -0.755 40.057 40.800 0.021 0.000 0.899 755 D HN 0.829 nan 8.370 nan 0.000 0.525 756 G N 0.767 109.603 108.800 0.060 0.000 2.179 756 G HA2 -0.371 3.590 3.960 0.001 0.000 0.260 756 G HA3 -0.371 3.590 3.960 0.001 0.000 0.260 756 G C 0.365 175.300 174.900 0.059 0.000 0.977 756 G CA 0.036 45.165 45.100 0.048 0.000 0.641 756 G HN 0.621 nan 8.290 nan 0.000 0.533 757 R N 1.155 121.708 120.500 0.089 0.000 2.404 757 R HA 0.374 4.715 4.340 0.001 0.000 0.315 757 R C 0.662 177.046 176.300 0.141 0.000 1.032 757 R CA -0.406 55.752 56.100 0.097 0.000 0.992 757 R CB 0.166 30.506 30.300 0.067 0.000 0.959 757 R HN 0.390 nan 8.270 nan 0.000 0.428 758 R N 2.431 122.973 120.500 0.069 0.000 2.442 758 R HA 0.009 4.350 4.340 0.001 0.000 0.291 758 R C 0.258 176.576 176.300 0.030 0.000 1.069 758 R CA -0.001 56.114 56.100 0.025 0.000 1.022 758 R CB 1.053 31.357 30.300 0.007 0.000 0.976 758 R HN 0.542 nan 8.270 nan 0.000 0.443 759 S N 1.217 116.891 115.700 -0.043 0.000 2.572 759 S HA -0.037 4.433 4.470 0.001 0.000 0.279 759 S C 0.647 175.133 174.600 -0.189 0.000 1.341 759 S CA -0.502 57.655 58.200 -0.071 0.000 1.043 759 S CB 0.512 63.598 63.200 -0.190 0.000 0.887 759 S HN 0.751 nan 8.310 nan 0.000 0.516 760 D N 2.710 123.010 120.400 -0.166 0.000 2.440 760 D HA 0.092 4.732 4.640 0.001 0.000 0.216 760 D C -0.159 175.944 176.300 -0.327 0.000 1.150 760 D CA -0.113 53.769 54.000 -0.197 0.000 0.832 760 D CB -0.065 40.717 40.800 -0.029 0.000 0.992 760 D HN 0.260 nan 8.370 nan 0.000 0.502 761 V N 1.431 121.100 119.914 -0.408 0.000 2.439 761 V HA 0.270 4.390 4.120 0.001 0.000 0.282 761 V C -0.898 174.807 176.094 -0.648 0.000 1.039 761 V CA -0.485 61.612 62.300 -0.338 0.000 0.913 761 V CB 0.636 32.366 31.823 -0.155 0.000 0.983 761 V HN 0.025 nan 8.190 nan 0.000 0.460 762 Y N 2.578 122.718 120.300 -0.266 0.000 2.376 762 Y HA 0.625 5.175 4.550 0.001 0.000 0.340 762 Y C 0.460 175.984 175.900 -0.626 0.000 0.965 762 Y CA -0.527 57.208 58.100 -0.607 0.000 1.078 762 Y CB 2.240 40.061 38.460 -1.065 0.000 1.193 762 Y HN 0.692 nan 8.280 nan 0.000 0.452 763 S N 2.419 117.893 115.700 -0.377 0.000 2.568 763 S HA 0.429 4.899 4.470 0.001 0.000 0.293 763 S C 0.444 175.013 174.600 -0.052 0.000 1.089 763 S CA -0.934 57.182 58.200 -0.139 0.000 0.945 763 S CB 1.573 64.759 63.200 -0.024 0.000 1.077 763 S HN 0.602 nan 8.310 nan 0.000 0.485 764 M N 1.118 120.782 119.600 0.106 0.000 2.175 764 M HA -0.069 4.411 4.480 0.001 0.000 0.264 764 M C 1.958 178.310 176.300 0.086 0.000 1.063 764 M CA 1.606 56.991 55.300 0.143 0.000 1.119 764 M CB -1.731 30.905 32.600 0.061 0.000 1.377 764 M HN 0.841 nan 8.290 nan 0.000 0.415 765 Q N -0.298 119.530 119.800 0.048 0.000 2.014 765 Q HA -0.145 4.196 4.340 0.001 0.000 0.207 765 Q C 2.051 178.072 176.000 0.035 0.000 0.993 765 Q CA 2.620 58.443 55.803 0.033 0.000 0.850 765 Q CB -0.977 27.775 28.738 0.022 0.000 0.916 765 Q HN 0.457 nan 8.270 nan 0.000 0.417 766 T N 0.802 115.382 114.554 0.043 0.000 2.759 766 T HA -0.160 4.191 4.350 0.001 0.000 0.269 766 T C 1.641 176.369 174.700 0.046 0.000 1.042 766 T CA 1.283 63.401 62.100 0.030 0.000 1.140 766 T CB -0.147 68.741 68.868 0.032 0.000 0.864 766 T HN 0.226 nan 8.240 nan 0.000 0.455 767 Q N 0.660 120.551 119.800 0.151 0.000 2.046 767 Q HA 0.013 4.354 4.340 0.001 0.000 0.200 767 Q C 2.685 178.819 176.000 0.223 0.000 0.975 767 Q CA 0.867 56.840 55.803 0.283 0.000 0.836 767 Q CB -1.183 27.816 28.738 0.434 0.000 0.896 767 Q HN 0.403 nan 8.270 nan 0.000 0.428 768 V N 0.782 120.805 119.914 0.181 0.000 2.332 768 V HA -0.210 3.911 4.120 0.001 0.000 0.248 768 V C 2.502 178.674 176.094 0.130 0.000 1.055 768 V CA 1.489 63.909 62.300 0.199 0.000 1.038 768 V CB -0.656 31.290 31.823 0.205 0.000 0.651 768 V HN 0.103 nan 8.190 nan 0.000 0.450 769 V N 0.262 120.153 119.914 -0.038 0.000 2.407 769 V HA -0.239 3.881 4.120 0.001 0.000 0.248 769 V C 2.682 178.615 176.094 -0.268 0.000 1.055 769 V CA 1.895 64.019 62.300 -0.292 0.000 1.049 769 V CB -1.139 30.352 31.823 -0.553 0.000 0.662 769 V HN 0.563 nan 8.190 nan 0.000 0.455 770 A N -0.978 121.727 122.820 -0.193 0.000 1.933 770 A HA -0.263 4.057 4.320 0.001 0.000 0.218 770 A C 2.155 179.716 177.584 -0.039 0.000 1.175 770 A CA 2.025 53.913 52.037 -0.247 0.000 0.628 770 A CB -0.715 18.011 19.000 -0.456 0.000 0.814 770 A HN 0.620 nan 8.150 nan 0.000 0.444 771 Y N 0.295 120.582 120.300 -0.022 0.000 2.163 771 Y HA -0.104 4.447 4.550 0.001 0.000 0.288 771 Y C 1.991 177.906 175.900 0.024 0.000 1.136 771 Y CA 1.803 59.927 58.100 0.039 0.000 1.147 771 Y CB -0.254 38.264 38.460 0.098 0.000 0.987 771 Y HN 0.205 nan 8.280 nan 0.000 0.509 772 L N -1.387 119.896 121.223 0.101 0.000 2.141 772 L HA -0.253 4.088 4.340 0.001 0.000 0.209 772 L C 2.190 179.049 176.870 -0.019 0.000 1.094 772 L CA 1.029 55.903 54.840 0.056 0.000 0.763 772 L CB -0.579 41.586 42.059 0.176 0.000 0.908 772 L HN 0.318 nan 8.230 nan 0.000 0.437 773 C N 0.087 119.336 119.300 -0.086 0.000 2.562 773 C HA 0.210 4.671 4.460 0.001 0.000 0.266 773 C C 1.794 176.731 174.990 -0.089 0.000 1.382 773 C CA 0.397 59.362 59.018 -0.088 0.000 1.742 773 C CB -1.284 26.347 27.740 -0.182 0.000 1.812 773 C HN 0.813 nan 8.230 nan 0.000 0.559 774 G N 0.578 109.307 108.800 -0.119 0.000 2.160 774 G HA2 -0.248 3.712 3.960 0.001 0.000 0.251 774 G HA3 -0.248 3.712 3.960 0.001 0.000 0.251 774 G C 0.568 175.418 174.900 -0.083 0.000 1.008 774 G CA 0.579 45.610 45.100 -0.115 0.000 0.724 774 G HN 0.372 nan 8.290 nan 0.000 0.514 775 V N -0.118 119.744 119.914 -0.087 0.000 2.725 775 V HA 0.385 4.506 4.120 0.001 0.000 0.247 775 V C 2.033 178.133 176.094 0.011 0.000 1.058 775 V CA 1.744 64.009 62.300 -0.059 0.000 1.080 775 V CB 0.070 31.818 31.823 -0.125 0.000 0.713 775 V HN 1.158 nan 8.190 nan 0.000 0.465 776 A N 1.416 124.259 122.820 0.038 0.000 2.343 776 A HA 0.540 4.860 4.320 0.001 0.000 0.305 776 A C 0.018 177.622 177.584 0.034 0.000 1.308 776 A CA -0.203 51.913 52.037 0.131 0.000 0.949 776 A CB 0.034 19.207 19.000 0.287 0.000 1.148 776 A HN 0.343 nan 8.150 nan 0.000 0.545 777 Q N 0.968 120.760 119.800 -0.015 0.000 2.378 777 Q HA 0.649 4.989 4.340 0.001 0.000 0.276 777 Q C 0.973 176.943 176.000 -0.050 0.000 1.083 777 Q CA 0.264 56.046 55.803 -0.035 0.000 0.856 777 Q CB 1.582 30.293 28.738 -0.044 0.000 1.383 777 Q HN 1.387 nan 8.270 nan 0.000 0.458 778 G N 1.363 110.141 108.800 -0.037 0.000 2.614 778 G HA2 -0.424 3.536 3.960 0.001 0.000 0.303 778 G HA3 -0.424 3.536 3.960 0.001 0.000 0.303 778 G C 0.815 175.690 174.900 -0.042 0.000 1.270 778 G CA 0.938 46.014 45.100 -0.041 0.000 0.988 778 G HN 0.701 nan 8.290 nan 0.000 0.551 779 E N 0.212 120.373 120.200 -0.065 0.000 2.086 779 E HA -0.235 4.115 4.350 0.001 0.000 0.200 779 E C 2.706 179.263 176.600 -0.072 0.000 1.012 779 E CA 1.621 57.983 56.400 -0.062 0.000 0.812 779 E CB -0.174 29.481 29.700 -0.076 0.000 0.743 779 E HN 0.534 nan 8.360 nan 0.000 0.453 780 R N 0.586 120.988 120.500 -0.163 0.000 2.120 780 R HA -0.151 4.189 4.340 0.001 0.000 0.234 780 R C 2.380 178.697 176.300 0.028 0.000 1.123 780 R CA 1.242 57.227 56.100 -0.193 0.000 0.975 780 R CB -0.174 29.800 30.300 -0.543 0.000 0.866 780 R HN 0.294 nan 8.270 nan 0.000 0.446 781 E N 0.796 121.024 120.200 0.046 0.000 2.047 781 E HA -0.175 4.176 4.350 0.001 0.000 0.191 781 E C 1.985 178.674 176.600 0.147 0.000 0.987 781 E CA 1.116 57.611 56.400 0.159 0.000 0.799 781 E CB -0.038 29.729 29.700 0.111 0.000 0.752 781 E HN 0.340 nan 8.360 nan 0.000 0.449 782 A N 0.585 123.443 122.820 0.063 0.000 1.908 782 A HA -0.165 4.155 4.320 0.001 0.000 0.218 782 A C 2.402 179.962 177.584 -0.039 0.000 1.181 782 A CA 1.623 53.674 52.037 0.023 0.000 0.627 782 A CB -0.744 18.258 19.000 0.004 0.000 0.818 782 A HN 0.240 nan 8.150 nan 0.000 0.445 783 V N 0.620 120.501 119.914 -0.056 0.000 2.295 783 V HA -0.252 3.868 4.120 0.001 0.000 0.246 783 V C 2.435 178.279 176.094 -0.417 0.000 1.049 783 V CA 1.772 63.953 62.300 -0.199 0.000 1.024 783 V CB -0.709 31.080 31.823 -0.057 0.000 0.648 783 V HN 0.522 nan 8.190 nan 0.000 0.447 784 I N 0.221 120.712 120.570 -0.132 0.000 2.226 784 I HA -0.219 3.952 4.170 0.001 0.000 0.245 784 I C 2.529 178.572 176.117 -0.123 0.000 1.100 784 I CA 1.586 62.864 61.300 -0.036 0.000 1.374 784 I CB -1.334 36.814 38.000 0.247 0.000 1.057 784 I HN 0.478 nan 8.210 nan 0.000 0.413 785 E N 0.672 120.784 120.200 -0.146 0.000 2.160 785 E HA -0.169 4.182 4.350 0.001 0.000 0.195 785 E C 2.297 178.840 176.600 -0.097 0.000 0.991 785 E CA 1.141 57.431 56.400 -0.184 0.000 0.810 785 E CB -0.309 29.342 29.700 -0.081 0.000 0.742 785 E HN 0.598 nan 8.360 nan 0.000 0.466 786 G N 0.283 109.010 108.800 -0.121 0.000 2.408 786 G HA2 -0.233 3.727 3.960 0.001 0.000 0.217 786 G HA3 -0.233 3.727 3.960 0.001 0.000 0.217 786 G C 1.246 176.187 174.900 0.068 0.000 1.150 786 G CA 0.438 45.500 45.100 -0.064 0.000 0.776 786 G HN 0.311 nan 8.290 nan 0.000 0.542 787 Y N 0.415 120.725 120.300 0.016 0.000 2.224 787 Y HA -0.039 4.512 4.550 0.001 0.000 0.289 787 Y C 2.824 178.751 175.900 0.046 0.000 1.146 787 Y CA 0.082 58.193 58.100 0.019 0.000 1.182 787 Y CB -0.158 38.358 38.460 0.092 0.000 0.983 787 Y HN 0.071 nan 8.280 nan 0.000 0.524 788 L N -0.164 121.180 121.223 0.202 0.000 2.012 788 L HA -0.256 4.085 4.340 0.001 0.000 0.210 788 L C 2.608 179.602 176.870 0.206 0.000 1.073 788 L CA 1.842 56.815 54.840 0.221 0.000 0.748 788 L CB -0.811 41.262 42.059 0.025 0.000 0.891 788 L HN 0.276 nan 8.230 nan 0.000 0.431 789 S N -2.415 113.346 115.700 0.101 0.000 2.436 789 S HA -0.000 4.470 4.470 0.001 0.000 0.228 789 S C 0.937 175.587 174.600 0.082 0.000 1.014 789 S CA 0.239 58.484 58.200 0.077 0.000 0.950 789 S CB 0.088 63.306 63.200 0.030 0.000 0.784 789 S HN 0.253 nan 8.310 nan 0.000 0.504 790 S N 2.871 118.624 115.700 0.089 0.000 2.312 790 S HA 0.431 4.902 4.470 0.001 0.000 0.173 790 S C -3.042 171.583 174.600 0.041 0.000 1.488 790 S CA -0.958 57.276 58.200 0.056 0.000 1.239 790 S CB 1.410 64.632 63.200 0.037 0.000 1.215 790 S HN 0.197 nan 8.310 nan 0.000 0.438 791 P HA 0.211 nan 4.420 nan 0.000 0.266 791 P C -2.601 174.595 177.300 -0.174 0.000 1.215 791 P CA -0.895 62.171 63.100 -0.057 0.000 0.763 791 P CB -0.338 31.336 31.700 -0.043 0.000 0.806 792 P HA 0.029 nan 4.420 nan 0.000 0.265 792 P C -1.533 175.583 177.300 -0.307 0.000 1.222 792 P CA -1.069 61.708 63.100 -0.538 0.000 0.767 792 P CB -0.122 30.805 31.700 -1.288 0.000 0.801 793 P HA -0.202 nan 4.420 nan 0.000 0.223 793 P C 0.848 178.134 177.300 -0.024 0.000 1.144 793 P CA 1.206 64.265 63.100 -0.069 0.000 0.783 793 P CB 0.006 31.672 31.700 -0.056 0.000 0.771 794 A N -0.987 121.807 122.820 -0.044 0.000 2.072 794 A HA 0.070 4.390 4.320 0.001 0.000 0.216 794 A C 1.213 178.945 177.584 0.248 0.000 1.156 794 A CA -0.052 52.024 52.037 0.066 0.000 0.701 794 A CB -0.941 18.085 19.000 0.043 0.000 0.816 794 A HN 0.117 nan 8.150 nan 0.000 0.458 795 F N -0.315 119.610 119.950 -0.042 0.000 2.444 795 F HA 0.246 4.774 4.527 0.001 0.000 0.331 795 F C 0.613 176.424 175.800 0.017 0.000 1.167 795 F CA -0.976 57.016 58.000 -0.014 0.000 1.262 795 F CB 0.844 39.796 39.000 -0.079 0.000 1.196 795 F HN -0.202 nan 8.300 nan 0.000 0.583 796 V N 3.084 123.115 119.914 0.196 0.000 2.740 796 V HA -0.036 4.084 4.120 0.001 0.000 0.303 796 V C 0.241 176.445 176.094 0.183 0.000 1.054 796 V CA -0.346 62.050 62.300 0.159 0.000 1.106 796 V CB 0.741 32.636 31.823 0.120 0.000 0.957 796 V HN 0.569 nan 8.190 nan 0.000 0.486 797 Q N 2.640 122.574 119.800 0.224 0.000 2.193 797 Q HA 0.524 4.864 4.340 0.001 0.000 0.246 797 Q C -0.178 175.964 176.000 0.237 0.000 0.959 797 Q CA -0.837 55.095 55.803 0.215 0.000 0.904 797 Q CB 1.808 30.684 28.738 0.230 0.000 1.238 797 Q HN 0.590 nan 8.270 nan 0.000 0.469 798 I N 0.928 121.561 120.570 0.105 0.000 2.668 798 I HA -0.031 4.139 4.170 0.001 0.000 0.285 798 I C 1.257 177.357 176.117 -0.028 0.000 1.168 798 I CA 0.580 61.896 61.300 0.027 0.000 1.424 798 I CB 0.550 38.532 38.000 -0.029 0.000 1.377 798 I HN 0.781 nan 8.210 nan 0.000 0.560 799 G N 4.206 112.821 108.800 -0.308 0.000 3.126 799 G HA2 0.159 4.119 3.960 0.001 0.000 0.224 799 G HA3 0.159 4.119 3.960 0.001 0.000 0.224 799 G C 0.189 174.819 174.900 -0.450 0.000 1.142 799 G CA 0.260 44.774 45.100 -0.978 0.000 0.759 799 G HN 0.639 nan 8.290 nan 0.000 0.550 800 S N -1.460 114.074 115.700 -0.276 0.000 2.550 800 S HA 0.546 5.016 4.470 0.001 0.000 0.270 800 S C -2.785 171.470 174.600 -0.575 0.000 1.145 800 S CA -1.089 56.824 58.200 -0.479 0.000 0.852 800 S CB 2.305 65.433 63.200 -0.120 0.000 1.119 800 S HN -0.163 nan 8.310 nan 0.000 0.465 801 P HA 0.052 nan 4.420 nan 0.000 0.225 801 P C 1.058 178.225 177.300 -0.221 0.000 1.148 801 P CA 0.471 63.356 63.100 -0.359 0.000 0.779 801 P CB -0.100 31.451 31.700 -0.249 0.000 0.780 802 F N -0.033 119.532 119.950 -0.641 0.000 2.075 802 F HA -0.233 4.294 4.527 0.001 0.000 0.297 802 F C 2.124 177.597 175.800 -0.545 0.000 1.113 802 F CA 1.351 58.776 58.000 -0.958 0.000 1.218 802 F CB -0.305 37.440 39.000 -2.092 0.000 0.984 802 F HN -0.184 nan 8.300 nan 0.000 0.472 803 M N 0.428 119.726 119.600 -0.503 0.000 2.229 803 M HA -0.131 4.350 4.480 0.001 0.000 0.264 803 M C 2.173 178.360 176.300 -0.188 0.000 1.063 803 M CA 1.620 56.745 55.300 -0.292 0.000 1.114 803 M CB -0.729 31.783 32.600 -0.146 0.000 1.387 803 M HN 0.075 nan 8.290 nan 0.000 0.420 804 S N -0.094 115.470 115.700 -0.228 0.000 2.400 804 S HA -0.148 4.323 4.470 0.001 0.000 0.232 804 S C 1.645 175.833 174.600 -0.687 0.000 1.025 804 S CA 1.335 59.310 58.200 -0.376 0.000 0.993 804 S CB -0.703 62.326 63.200 -0.286 0.000 0.808 804 S HN 0.612 nan 8.310 nan 0.000 0.478 805 F N 1.648 121.241 119.950 -0.596 0.000 2.095 805 F HA -0.121 4.406 4.527 0.001 0.000 0.298 805 F C 1.632 177.205 175.800 -0.378 0.000 1.104 805 F CA 1.253 58.978 58.000 -0.459 0.000 1.232 805 F CB -0.531 38.123 39.000 -0.576 0.000 0.987 805 F HN 0.155 nan 8.300 nan 0.000 0.475 806 F N -1.320 118.684 119.950 0.090 0.000 2.186 806 F HA -0.181 4.347 4.527 0.001 0.000 0.299 806 F C 2.295 178.160 175.800 0.108 0.000 1.090 806 F CA 1.416 59.482 58.000 0.110 0.000 1.307 806 F CB -1.574 37.421 39.000 -0.009 0.000 1.019 806 F HN 0.064 nan 8.300 nan 0.000 0.489 807 Y N -0.287 120.016 120.300 0.005 0.000 2.181 807 Y HA -0.283 4.267 4.550 0.001 0.000 0.288 807 Y C 2.160 178.057 175.900 -0.005 0.000 1.146 807 Y CA 1.267 59.349 58.100 -0.031 0.000 1.164 807 Y CB -0.965 37.413 38.460 -0.138 0.000 0.982 807 Y HN 0.032 nan 8.280 nan 0.000 0.515 808 Y N 0.657 120.731 120.300 -0.376 0.000 2.242 808 Y HA -0.126 4.424 4.550 0.001 0.000 0.291 808 Y C 2.429 178.046 175.900 -0.472 0.000 1.137 808 Y CA 1.096 58.719 58.100 -0.794 0.000 1.181 808 Y CB -1.023 36.446 38.460 -1.651 0.000 0.989 808 Y HN 0.268 nan 8.280 nan 0.000 0.527 809 E N -0.220 120.024 120.200 0.074 0.000 2.110 809 E HA -0.171 4.180 4.350 0.001 0.000 0.193 809 E C 2.371 179.121 176.600 0.250 0.000 0.988 809 E CA 0.949 57.559 56.400 0.349 0.000 0.804 809 E CB -0.156 29.823 29.700 0.465 0.000 0.745 809 E HN 0.414 nan 8.360 nan 0.000 0.458 810 A N 1.062 124.011 122.820 0.215 0.000 1.898 810 A HA -0.116 4.204 4.320 0.001 0.000 0.216 810 A C 2.157 179.816 177.584 0.125 0.000 1.181 810 A CA 0.836 53.044 52.037 0.285 0.000 0.620 810 A CB -0.510 18.652 19.000 0.271 0.000 0.819 810 A HN 0.124 nan 8.150 nan 0.000 0.442 811 L N -0.726 120.441 121.223 -0.093 0.000 2.131 811 L HA -0.181 4.160 4.340 0.001 0.000 0.210 811 L C 2.618 179.463 176.870 -0.042 0.000 1.092 811 L CA 1.652 56.398 54.840 -0.156 0.000 0.759 811 L CB -0.417 41.442 42.059 -0.334 0.000 0.903 811 L HN 0.507 nan 8.230 nan 0.000 0.435 812 E N 1.064 121.272 120.200 0.014 0.000 2.047 812 E HA -0.258 4.093 4.350 0.001 0.000 0.191 812 E C 2.135 178.795 176.600 0.101 0.000 0.987 812 E CA 1.493 57.932 56.400 0.066 0.000 0.799 812 E CB -0.061 29.730 29.700 0.151 0.000 0.752 812 E HN 0.225 nan 8.360 nan 0.000 0.449 813 K N -0.464 120.033 120.400 0.162 0.000 2.097 813 K HA -0.066 4.254 4.320 0.001 0.000 0.206 813 K C 1.701 178.422 176.600 0.201 0.000 1.049 813 K CA 1.289 57.685 56.287 0.180 0.000 0.933 813 K CB -0.235 32.402 32.500 0.228 0.000 0.717 813 K HN 0.189 nan 8.250 nan 0.000 0.442 814 A N 0.164 123.117 122.820 0.221 0.000 2.251 814 A HA 0.206 4.527 4.320 0.001 0.000 0.209 814 A C 1.117 178.742 177.584 0.068 0.000 1.187 814 A CA 0.684 52.819 52.037 0.163 0.000 0.823 814 A CB -0.298 18.735 19.000 0.056 0.000 0.846 814 A HN 0.519 nan 8.150 nan 0.000 0.486 815 G N -0.255 108.574 108.800 0.049 0.000 2.246 815 G HA2 -0.229 3.732 3.960 0.001 0.000 0.273 815 G HA3 -0.229 3.732 3.960 0.001 0.000 0.273 815 G C 0.091 174.985 174.900 -0.009 0.000 1.055 815 G CA 0.163 45.273 45.100 0.018 0.000 0.851 815 G HN 0.338 nan 8.290 nan 0.000 0.500 816 R N -0.391 120.090 120.500 -0.032 0.000 3.220 816 R HA 0.335 4.675 4.340 0.001 0.000 0.324 816 R C 1.408 177.654 176.300 -0.091 0.000 1.283 816 R CA -0.459 55.606 56.100 -0.057 0.000 1.387 816 R CB 0.432 30.690 30.300 -0.069 0.000 1.413 816 R HN 0.450 nan 8.270 nan 0.000 0.610 817 Q N -0.324 119.431 119.800 -0.074 0.000 2.124 817 Q HA -0.061 4.279 4.340 0.001 0.000 0.202 817 Q C 1.432 177.371 176.000 -0.103 0.000 0.977 817 Q CA 1.955 57.700 55.803 -0.096 0.000 0.850 817 Q CB -0.021 28.684 28.738 -0.055 0.000 0.901 817 Q HN 0.258 nan 8.270 nan 0.000 0.429 818 T N 0.706 115.219 114.554 -0.068 0.000 2.746 818 T HA -0.118 4.232 4.350 0.001 0.000 0.267 818 T C 1.591 176.249 174.700 -0.069 0.000 1.039 818 T CA 0.986 63.052 62.100 -0.056 0.000 1.142 818 T CB -0.272 68.575 68.868 -0.034 0.000 0.866 818 T HN 0.144 nan 8.240 nan 0.000 0.444 819 L N 0.880 122.060 121.223 -0.072 0.000 2.093 819 L HA 0.110 4.451 4.340 0.001 0.000 0.208 819 L C 2.303 179.109 176.870 -0.107 0.000 1.085 819 L CA 1.569 56.374 54.840 -0.058 0.000 0.755 819 L CB -0.592 41.441 42.059 -0.043 0.000 0.904 819 L HN 0.251 nan 8.230 nan 0.000 0.435 820 M N -1.484 117.990 119.600 -0.211 0.000 2.086 820 M HA -0.228 4.252 4.480 0.001 0.000 0.261 820 M C 2.144 178.211 176.300 -0.387 0.000 1.067 820 M CA 1.902 56.956 55.300 -0.410 0.000 1.116 820 M CB -0.159 32.136 32.600 -0.508 0.000 1.348 820 M HN 0.327 nan 8.290 nan 0.000 0.407 821 L N -0.004 121.072 121.223 -0.245 0.000 2.046 821 L HA -0.263 4.078 4.340 0.001 0.000 0.208 821 L C 2.038 178.850 176.870 -0.098 0.000 1.077 821 L CA 1.322 56.059 54.840 -0.173 0.000 0.747 821 L CB -1.045 40.956 42.059 -0.098 0.000 0.896 821 L HN 0.323 nan 8.230 nan 0.000 0.432 822 D N -0.277 120.086 120.400 -0.061 0.000 2.178 822 D HA -0.202 4.439 4.640 0.001 0.000 0.202 822 D C 1.726 178.040 176.300 0.023 0.000 0.974 822 D CA 1.335 55.328 54.000 -0.012 0.000 0.841 822 D CB -0.096 40.703 40.800 -0.001 0.000 0.953 822 D HN 0.367 nan 8.370 nan 0.000 0.478 823 D N -0.029 120.392 120.400 0.034 0.000 2.117 823 D HA -0.058 4.582 4.640 0.001 0.000 0.198 823 D C 2.200 178.612 176.300 0.187 0.000 0.982 823 D CA 0.602 54.689 54.000 0.145 0.000 0.828 823 D CB 0.059 41.044 40.800 0.308 0.000 0.967 823 D HN 0.081 nan 8.370 nan 0.000 0.464 824 I N 0.116 120.740 120.570 0.091 0.000 2.163 824 I HA -0.257 3.914 4.170 0.001 0.000 0.243 824 I C 2.520 178.766 176.117 0.215 0.000 1.085 824 I CA 1.021 62.442 61.300 0.202 0.000 1.347 824 I CB -0.230 37.695 38.000 -0.124 0.000 1.044 824 I HN 0.012 nan 8.210 nan 0.000 0.408 825 R N 0.187 120.739 120.500 0.086 0.000 2.096 825 R HA -0.227 4.114 4.340 0.001 0.000 0.240 825 R C 2.457 178.811 176.300 0.090 0.000 1.139 825 R CA 1.807 57.953 56.100 0.077 0.000 0.952 825 R CB -0.425 29.896 30.300 0.035 0.000 0.854 825 R HN 0.335 nan 8.270 nan 0.000 0.436 826 R N 0.530 121.077 120.500 0.078 0.000 2.062 826 R HA -0.078 4.263 4.340 0.001 0.000 0.231 826 R C 1.769 178.087 176.300 0.031 0.000 1.136 826 R CA 1.669 57.799 56.100 0.049 0.000 0.948 826 R CB -0.119 30.199 30.300 0.031 0.000 0.845 826 R HN 0.196 nan 8.270 nan 0.000 0.430 827 N N -0.457 118.263 118.700 0.033 0.000 2.216 827 N HA -0.139 4.602 4.740 0.001 0.000 0.183 827 N C 1.501 176.947 175.510 -0.107 0.000 1.017 827 N CA 1.277 54.272 53.050 -0.092 0.000 0.861 827 N CB -0.175 38.214 38.487 -0.163 0.000 0.986 827 N HN 0.338 nan 8.380 nan 0.000 0.428 828 Y N 0.482 120.818 120.300 0.059 0.000 2.448 828 Y HA 0.163 4.713 4.550 0.001 0.000 0.289 828 Y C 2.484 178.360 175.900 -0.040 0.000 1.114 828 Y CA 0.537 58.641 58.100 0.006 0.000 1.235 828 Y CB -0.374 38.113 38.460 0.045 0.000 1.045 828 Y HN 0.033 nan 8.280 nan 0.000 0.554 829 G N 0.349 109.224 108.800 0.125 0.000 2.422 829 G HA2 -0.295 3.666 3.960 0.001 0.000 0.218 829 G HA3 -0.295 3.666 3.960 0.001 0.000 0.218 829 G C 1.509 176.429 174.900 0.032 0.000 1.146 829 G CA 1.042 46.185 45.100 0.073 0.000 0.769 829 G HN 0.542 nan 8.290 nan 0.000 0.547 830 Q N -0.492 119.315 119.800 0.012 0.000 2.167 830 Q HA 0.028 4.368 4.340 0.001 0.000 0.202 830 Q C 2.370 178.382 176.000 0.020 0.000 0.970 830 Q CA 1.143 56.986 55.803 0.066 0.000 0.855 830 Q CB -0.367 28.440 28.738 0.115 0.000 0.911 830 Q HN 0.466 nan 8.270 nan 0.000 0.438 831 M N 0.538 119.931 119.600 -0.345 0.000 2.099 831 M HA -0.083 4.397 4.480 0.001 0.000 0.262 831 M C 2.141 178.410 176.300 -0.051 0.000 1.067 831 M CA 1.362 56.206 55.300 -0.759 0.000 1.124 831 M CB -0.182 31.814 32.600 -1.007 0.000 1.353 831 M HN 0.217 nan 8.290 nan 0.000 0.410 832 L N -0.484 120.744 121.223 0.009 0.000 2.191 832 L HA -0.175 4.165 4.340 0.001 0.000 0.212 832 L C 2.750 179.691 176.870 0.119 0.000 1.103 832 L CA 0.768 55.670 54.840 0.103 0.000 0.769 832 L CB -0.708 41.403 42.059 0.086 0.000 0.908 832 L HN 0.319 nan 8.230 nan 0.000 0.438 833 R N 0.393 120.936 120.500 0.071 0.000 2.096 833 R HA -0.192 4.149 4.340 0.001 0.000 0.235 833 R C 1.153 177.397 176.300 -0.093 0.000 1.127 833 R CA 1.636 57.702 56.100 -0.056 0.000 0.968 833 R CB -0.287 29.910 30.300 -0.172 0.000 0.861 833 R HN 0.358 nan 8.270 nan 0.000 0.440 834 Y N 0.714 121.213 120.300 0.331 0.000 2.537 834 Y HA 0.096 4.646 4.550 0.001 0.000 0.303 834 Y C 0.077 176.264 175.900 0.477 0.000 1.176 834 Y CA 0.118 58.503 58.100 0.475 0.000 1.273 834 Y CB 0.030 38.916 38.460 0.710 0.000 1.110 834 Y HN 0.167 nan 8.280 nan 0.000 0.518 835 D N 0.054 120.690 120.400 0.393 0.000 2.870 835 D HA -0.197 4.444 4.640 0.001 0.000 0.228 835 D C 0.166 176.699 176.300 0.388 0.000 1.147 835 D CA 0.536 54.731 54.000 0.324 0.000 0.757 835 D CB -0.886 40.081 40.800 0.278 0.000 1.091 835 D HN 0.377 nan 8.370 nan 0.000 0.429 836 A N -0.395 122.691 122.820 0.444 0.000 2.462 836 A HA 0.483 4.804 4.320 0.001 0.000 0.243 836 A C 1.558 179.326 177.584 0.306 0.000 1.076 836 A CA 0.740 53.059 52.037 0.471 0.000 0.773 836 A CB 0.414 19.652 19.000 0.397 0.000 1.010 836 A HN 0.639 nan 8.150 nan 0.000 0.493 837 T N -1.856 112.883 114.554 0.309 0.000 3.040 837 T HA 0.383 4.734 4.350 0.001 0.000 0.266 837 T C 0.381 175.260 174.700 0.299 0.000 1.005 837 T CA 0.586 62.825 62.100 0.231 0.000 0.906 837 T CB -0.535 68.428 68.868 0.157 0.000 1.082 837 T HN 1.211 nan 8.240 nan 0.000 0.531 838 T N -1.002 113.750 114.554 0.331 0.000 2.816 838 T HA 0.555 4.906 4.350 0.001 0.000 0.299 838 T C -0.754 174.137 174.700 0.319 0.000 1.230 838 T CA -0.813 61.480 62.100 0.321 0.000 1.007 838 T CB 1.015 70.074 68.868 0.319 0.000 1.289 838 T HN 0.187 nan 8.240 nan 0.000 0.508 839 C N 2.282 121.762 119.300 0.299 0.000 2.435 839 C HA 0.497 4.958 4.460 0.001 0.000 0.375 839 C C 0.422 175.650 174.990 0.397 0.000 1.281 839 C CA -0.857 58.336 59.018 0.292 0.000 1.963 839 C CB -1.122 26.825 27.740 0.345 0.000 2.490 839 C HN 0.675 nan 8.230 nan 0.000 0.557 840 W N 2.126 123.504 121.300 0.130 0.000 2.170 840 W HA 0.142 4.803 4.660 0.001 0.000 0.342 840 W C 1.471 178.000 176.519 0.016 0.000 1.294 840 W CA -0.283 57.069 57.345 0.012 0.000 1.246 840 W CB -0.162 29.238 29.460 -0.098 0.000 1.156 840 W HN 0.826 nan 8.180 nan 0.000 0.572 841 E N 1.203 121.492 120.200 0.148 0.000 2.072 841 E HA -0.146 4.205 4.350 0.001 0.000 0.191 841 E C 0.178 176.845 176.600 0.113 0.000 0.985 841 E CA 1.272 57.651 56.400 -0.036 0.000 0.801 841 E CB 0.174 29.493 29.700 -0.635 0.000 0.750 841 E HN 0.402 nan 8.360 nan 0.000 0.452 842 M N -1.298 118.287 119.600 -0.025 0.000 2.704 842 M HA 0.329 4.809 4.480 0.001 0.000 0.284 842 M C -1.146 175.131 176.300 -0.038 0.000 1.275 842 M CA -0.819 54.428 55.300 -0.090 0.000 0.811 842 M CB 1.951 34.509 32.600 -0.071 0.000 1.741 842 M HN -0.125 nan 8.290 nan 0.000 0.458 843 Y N 0.021 120.369 120.300 0.081 0.000 2.354 843 Y HA 0.400 4.951 4.550 0.001 0.000 0.322 843 Y C -2.088 173.963 175.900 0.251 0.000 1.253 843 Y CA -1.914 56.303 58.100 0.196 0.000 1.272 843 Y CB 0.618 39.162 38.460 0.140 0.000 1.255 843 Y HN 0.301 nan 8.280 nan 0.000 0.500 844 P HA 0.051 nan 4.420 nan 0.000 0.274 844 P C -0.723 176.763 177.300 0.311 0.000 1.256 844 P CA 0.049 63.299 63.100 0.250 0.000 0.795 844 P CB 0.414 32.223 31.700 0.182 0.000 1.038 845 N N -1.945 116.839 118.700 0.140 0.000 2.776 845 N HA -0.176 4.565 4.740 0.001 0.000 0.250 845 N C -1.110 174.317 175.510 -0.139 0.000 1.112 845 N CA 1.027 54.079 53.050 0.004 0.000 0.733 845 N CB -2.015 36.437 38.487 -0.057 0.000 1.097 845 N HN 0.295 nan 8.380 nan 0.000 0.558 846 F N -0.309 119.672 119.950 0.052 0.000 2.529 846 F HA 0.595 5.123 4.527 0.001 0.000 0.320 846 F C 1.179 176.999 175.800 0.033 0.000 1.118 846 F CA -0.382 57.659 58.000 0.069 0.000 0.915 846 F CB 1.539 40.610 39.000 0.118 0.000 1.161 846 F HN -0.029 nan 8.300 nan 0.000 0.445 847 A N 1.694 124.616 122.820 0.170 0.000 2.119 847 A HA 0.057 4.377 4.320 0.001 0.000 0.216 847 A C 0.696 178.331 177.584 0.085 0.000 1.152 847 A CA 0.474 52.566 52.037 0.093 0.000 0.708 847 A CB -0.535 18.500 19.000 0.060 0.000 0.805 847 A HN 0.736 nan 8.150 nan 0.000 0.460 848 E N -0.372 119.922 120.200 0.157 0.000 2.418 848 E HA 0.201 4.552 4.350 0.001 0.000 0.261 848 E C 0.580 177.096 176.600 -0.141 0.000 1.070 848 E CA 0.346 56.809 56.400 0.105 0.000 0.931 848 E CB 0.063 29.958 29.700 0.325 0.000 0.954 848 E HN 0.376 nan 8.360 nan 0.000 0.439 849 N N 1.374 119.881 118.700 -0.320 0.000 2.710 849 N HA -0.273 4.467 4.740 0.001 0.000 0.249 849 N C -1.458 173.805 175.510 -0.411 0.000 1.059 849 N CA 1.358 54.044 53.050 -0.608 0.000 0.720 849 N CB -0.656 36.939 38.487 -1.486 0.000 0.983 849 N HN 0.548 nan 8.380 nan 0.000 0.544 850 R N -2.660 117.703 120.500 -0.228 0.000 2.604 850 R HA 0.511 4.851 4.340 0.001 0.000 0.270 850 R C 0.391 176.642 176.300 -0.082 0.000 1.052 850 R CA -0.462 55.541 56.100 -0.162 0.000 0.902 850 R CB 0.491 30.707 30.300 -0.141 0.000 1.233 850 R HN -0.080 nan 8.270 nan 0.000 0.455 851 S N 0.626 116.307 115.700 -0.031 0.000 2.419 851 S HA -0.093 4.377 4.470 0.001 0.000 0.233 851 S C 0.516 175.093 174.600 -0.039 0.000 1.016 851 S CA 1.046 59.230 58.200 -0.027 0.000 0.974 851 S CB -0.313 62.901 63.200 0.024 0.000 0.786 851 S HN 0.627 nan 8.310 nan 0.000 0.492 852 N N -0.064 118.638 118.700 0.003 0.000 2.397 852 N HA 0.205 4.945 4.740 0.001 0.000 0.291 852 N C -2.648 172.860 175.510 -0.003 0.000 1.065 852 N CA -1.784 51.270 53.050 0.006 0.000 0.884 852 N CB 2.066 40.586 38.487 0.056 0.000 1.551 852 N HN -0.151 nan 8.380 nan 0.000 0.487 853 P HA -0.058 nan 4.420 nan 0.000 0.223 853 P C 0.104 177.389 177.300 -0.025 0.000 1.144 853 P CA 1.010 64.103 63.100 -0.012 0.000 0.783 853 P CB 0.556 32.251 31.700 -0.009 0.000 0.771 854 D N -0.716 119.664 120.400 -0.033 0.000 2.348 854 D HA 0.078 4.719 4.640 0.001 0.000 0.211 854 D C 1.127 177.363 176.300 -0.107 0.000 0.998 854 D CA 0.339 54.298 54.000 -0.067 0.000 0.873 854 D CB -0.111 40.644 40.800 -0.076 0.000 0.925 854 D HN 0.293 nan 8.370 nan 0.000 0.524 855 M N 0.761 120.317 119.600 -0.073 0.000 2.245 855 M HA 0.043 4.524 4.480 0.001 0.000 0.344 855 M C 1.579 177.737 176.300 -0.236 0.000 1.170 855 M CA -0.094 55.142 55.300 -0.107 0.000 1.135 855 M CB 1.363 33.946 32.600 -0.028 0.000 1.574 855 M HN -0.156 nan 8.290 nan 0.000 0.452 856 L N 0.622 121.583 121.223 -0.437 0.000 2.083 856 L HA -0.075 4.266 4.340 0.001 0.000 0.209 856 L C 1.262 177.750 176.870 -0.637 0.000 1.083 856 L CA 1.059 55.503 54.840 -0.660 0.000 0.752 856 L CB -0.440 40.870 42.059 -1.249 0.000 0.899 856 L HN 0.845 nan 8.230 nan 0.000 0.433 857 T N -3.348 110.812 114.554 -0.657 0.000 2.722 857 T HA 0.165 4.515 4.350 0.001 0.000 0.314 857 T C 0.179 174.628 174.700 -0.419 0.000 1.675 857 T CA -0.697 61.082 62.100 -0.536 0.000 1.003 857 T CB 1.371 69.807 68.868 -0.720 0.000 1.602 857 T HN 0.035 nan 8.240 nan 0.000 0.496 858 R N 0.919 121.212 120.500 -0.346 0.000 2.040 858 R HA 0.264 4.604 4.340 0.001 0.000 0.219 858 R C 0.859 177.062 176.300 -0.163 0.000 1.216 858 R CA 0.996 56.915 56.100 -0.301 0.000 0.952 858 R CB -0.748 29.271 30.300 -0.468 0.000 0.833 858 R HN 0.517 nan 8.270 nan 0.000 0.456 859 S N 0.129 115.716 115.700 -0.189 0.000 2.545 859 S HA 0.070 4.541 4.470 0.001 0.000 0.275 859 S C 0.365 175.036 174.600 0.120 0.000 1.299 859 S CA -0.547 57.758 58.200 0.175 0.000 1.048 859 S CB 0.730 64.094 63.200 0.273 0.000 0.938 859 S HN 0.434 nan 8.310 nan 0.000 0.496 860 H N 2.482 121.684 119.070 0.221 0.000 2.551 860 H HA 0.211 4.768 4.556 0.001 0.000 0.271 860 H C -0.008 175.562 175.328 0.405 0.000 0.984 860 H CA -0.011 56.202 56.048 0.274 0.000 1.164 860 H CB 0.351 30.272 29.762 0.266 0.000 1.437 860 H HN 0.509 nan 8.280 nan 0.000 0.550 861 C N 1.972 121.533 119.300 0.434 0.000 2.949 861 C HA 0.264 4.725 4.460 0.001 0.000 0.306 861 C C -0.841 174.333 174.990 0.307 0.000 1.045 861 C CA -0.412 58.812 59.018 0.343 0.000 1.414 861 C CB -0.720 27.166 27.740 0.243 0.000 1.854 861 C HN 0.456 nan 8.230 nan 0.000 0.487 862 H N 3.471 122.638 119.070 0.162 0.000 2.860 862 H HA 0.323 4.879 4.556 0.001 0.000 0.312 862 H C 0.796 176.233 175.328 0.181 0.000 0.995 862 H CA 0.381 56.466 56.048 0.062 0.000 1.311 862 H CB 2.179 31.907 29.762 -0.058 0.000 1.478 862 H HN 0.763 nan 8.280 nan 0.000 0.508 863 A N 4.269 127.171 122.820 0.137 0.000 2.178 863 A HA -0.170 4.150 4.320 0.001 0.000 0.218 863 A C 1.826 179.562 177.584 0.254 0.000 1.157 863 A CA 0.715 52.853 52.037 0.167 0.000 0.689 863 A CB -0.583 18.471 19.000 0.089 0.000 0.787 863 A HN 0.833 nan 8.150 nan 0.000 0.465 864 W N -0.216 121.100 121.300 0.026 0.000 2.825 864 W HA 0.168 4.828 4.660 0.001 0.000 0.243 864 W C 0.539 177.147 176.519 0.148 0.000 1.293 864 W CA 0.615 57.959 57.345 -0.002 0.000 1.403 864 W CB -1.539 27.837 29.460 -0.139 0.000 1.134 864 W HN 0.237 nan 8.180 nan 0.000 0.666 865 S N 0.421 116.477 115.700 0.592 0.000 2.557 865 S HA 0.379 4.849 4.470 0.001 0.000 0.223 865 S C 1.488 176.342 174.600 0.424 0.000 0.969 865 S CA 0.231 58.679 58.200 0.413 0.000 0.927 865 S CB 0.087 63.539 63.200 0.420 0.000 0.806 865 S HN 0.290 nan 8.310 nan 0.000 0.489 866 A N 1.256 124.274 122.820 0.329 0.000 2.346 866 A HA 0.632 4.952 4.320 0.001 0.000 0.242 866 A C 1.922 179.611 177.584 0.176 0.000 1.323 866 A CA 0.541 52.706 52.037 0.213 0.000 0.940 866 A CB -0.738 18.325 19.000 0.105 0.000 0.943 866 A HN 0.423 nan 8.150 nan 0.000 0.501 867 A N 1.707 124.719 122.820 0.320 0.000 1.929 867 A HA -0.184 4.136 4.320 0.001 0.000 0.221 867 A C 0.137 177.811 177.584 0.151 0.000 1.211 867 A CA 2.320 54.534 52.037 0.296 0.000 0.657 867 A CB -1.647 17.569 19.000 0.360 0.000 0.827 867 A HN 0.480 nan 8.150 nan 0.000 0.462 868 P HA -0.125 nan 4.420 nan 0.000 0.217 868 P C 1.579 178.788 177.300 -0.153 0.000 1.148 868 P CA 1.683 64.663 63.100 -0.201 0.000 0.828 868 P CB -0.404 31.046 31.700 -0.417 0.000 0.783 869 G N -2.129 106.533 108.800 -0.230 0.000 2.470 869 G HA2 -0.266 3.694 3.960 0.001 0.000 0.220 869 G HA3 -0.266 3.694 3.960 0.001 0.000 0.220 869 G C 1.392 176.241 174.900 -0.085 0.000 1.121 869 G CA 0.545 45.425 45.100 -0.367 0.000 0.766 869 G HN 0.290 nan 8.290 nan 0.000 0.553 870 Y N -0.332 119.798 120.300 -0.284 0.000 2.382 870 Y HA 0.331 4.882 4.550 0.001 0.000 0.292 870 Y C 2.164 177.627 175.900 -0.728 0.000 1.151 870 Y CA 0.123 57.889 58.100 -0.556 0.000 1.198 870 Y CB -0.034 38.052 38.460 -0.623 0.000 1.195 870 Y HN 0.086 nan 8.280 nan 0.000 0.530 871 F N 0.479 120.149 119.950 -0.466 0.000 2.234 871 F HA -0.149 4.378 4.527 0.001 0.000 0.299 871 F C 2.095 177.599 175.800 -0.493 0.000 1.087 871 F CA 1.262 58.935 58.000 -0.544 0.000 1.340 871 F CB -0.483 38.274 39.000 -0.404 0.000 1.031 871 F HN 0.050 nan 8.300 nan 0.000 0.500 872 L N -0.597 120.413 121.223 -0.355 0.000 2.056 872 L HA -0.126 4.215 4.340 0.001 0.000 0.207 872 L C 2.727 179.284 176.870 -0.521 0.000 1.078 872 L CA 1.467 55.913 54.840 -0.658 0.000 0.749 872 L CB -1.322 39.963 42.059 -1.290 0.000 0.901 872 L HN 0.248 nan 8.230 nan 0.000 0.433 873 G N -0.661 107.956 108.800 -0.305 0.000 2.430 873 G HA2 -0.191 3.769 3.960 0.001 0.000 0.216 873 G HA3 -0.191 3.769 3.960 0.001 0.000 0.216 873 G C 1.791 176.725 174.900 0.057 0.000 1.146 873 G CA 0.869 46.007 45.100 0.063 0.000 0.793 873 G HN 0.490 nan 8.290 nan 0.000 0.537 874 S N 0.135 115.624 115.700 -0.352 0.000 2.355 874 S HA 0.047 4.518 4.470 0.001 0.000 0.216 874 S C 2.386 176.894 174.600 -0.154 0.000 1.037 874 S CA 1.425 59.429 58.200 -0.326 0.000 0.955 874 S CB -0.311 62.281 63.200 -1.013 0.000 0.877 874 S HN 0.136 nan 8.310 nan 0.000 0.488 875 S N 1.396 116.986 115.700 -0.183 0.000 2.395 875 S HA 0.211 4.682 4.470 0.001 0.000 0.225 875 S C 1.718 176.325 174.600 0.012 0.000 1.027 875 S CA 0.891 59.065 58.200 -0.043 0.000 0.965 875 S CB -0.274 62.934 63.200 0.014 0.000 0.812 875 S HN 0.420 nan 8.310 nan 0.000 0.482 876 I N 0.530 121.118 120.570 0.030 0.000 2.726 876 I HA 0.143 4.314 4.170 0.001 0.000 0.243 876 I C 2.105 178.449 176.117 0.378 0.000 1.082 876 I CA 0.533 61.931 61.300 0.163 0.000 1.447 876 I CB -1.517 36.563 38.000 0.133 0.000 1.250 876 I HN 0.234 nan 8.210 nan 0.000 0.453 877 L N 1.830 123.294 121.223 0.401 0.000 2.079 877 L HA -0.038 4.302 4.340 0.001 0.000 0.210 877 L C 1.438 178.603 176.870 0.493 0.000 1.081 877 L CA 2.279 57.433 54.840 0.523 0.000 0.752 877 L CB -0.747 41.535 42.059 0.373 0.000 0.896 877 L HN 0.605 nan 8.230 nan 0.000 0.433 878 G N -2.129 106.840 108.800 0.281 0.000 2.154 878 G HA2 -0.177 3.783 3.960 0.001 0.000 0.186 878 G HA3 -0.177 3.783 3.960 0.001 0.000 0.186 878 G C 0.039 175.049 174.900 0.183 0.000 1.000 878 G CA -0.030 45.185 45.100 0.192 0.000 0.664 878 G HN 0.283 nan 8.290 nan 0.000 0.513 879 V N 1.419 121.475 119.914 0.237 0.000 2.385 879 V HA 0.578 4.698 4.120 0.001 0.000 0.269 879 V C 0.409 176.703 176.094 0.333 0.000 1.043 879 V CA 0.018 62.489 62.300 0.285 0.000 0.906 879 V CB 1.262 33.280 31.823 0.325 0.000 0.995 879 V HN 0.305 nan 8.190 nan 0.000 0.467 880 K N 3.668 124.195 120.400 0.212 0.000 2.422 880 K HA 0.508 4.829 4.320 0.001 0.000 0.251 880 K C -0.399 176.082 176.600 -0.199 0.000 0.933 880 K CA -1.006 55.337 56.287 0.093 0.000 0.798 880 K CB 2.737 35.257 32.500 0.034 0.000 1.238 880 K HN 0.533 nan 8.250 nan 0.000 0.428 881 R N 0.733 120.849 120.500 -0.640 0.000 2.489 881 R HA 0.033 4.374 4.340 0.001 0.000 0.287 881 R C 0.618 176.610 176.300 -0.514 0.000 1.053 881 R CA 0.501 55.877 56.100 -1.206 0.000 1.036 881 R CB 0.402 29.824 30.300 -1.462 0.000 0.966 881 R HN 0.940 nan 8.270 nan 0.000 0.432 882 G N 2.067 110.638 108.800 -0.380 0.000 2.833 882 G HA2 0.331 4.292 3.960 0.001 0.000 0.210 882 G HA3 0.331 4.292 3.960 0.001 0.000 0.210 882 G C -0.348 174.453 174.900 -0.165 0.000 1.139 882 G CA 0.625 45.609 45.100 -0.193 0.000 0.771 882 G HN 0.747 nan 8.290 nan 0.000 0.535 883 A N -0.111 122.583 122.820 -0.209 0.000 2.610 883 A HA 0.560 4.880 4.320 0.001 0.000 0.291 883 A C -1.718 175.757 177.584 -0.182 0.000 1.086 883 A CA -0.699 51.251 52.037 -0.146 0.000 0.677 883 A CB 0.746 19.694 19.000 -0.088 0.000 1.278 883 A HN -0.039 nan 8.150 nan 0.000 0.414 884 D N 0.559 120.886 120.400 -0.122 0.000 2.506 884 D HA 0.390 5.031 4.640 0.001 0.000 0.234 884 D C 1.396 177.642 176.300 -0.091 0.000 1.143 884 D CA 2.137 56.071 54.000 -0.110 0.000 0.871 884 D CB 0.428 41.191 40.800 -0.061 0.000 1.190 884 D HN 1.653 nan 8.370 nan 0.000 0.459 885 G N 1.637 110.388 108.800 -0.082 0.000 2.168 885 G HA2 -0.321 3.640 3.960 0.001 0.000 0.257 885 G HA3 -0.321 3.640 3.960 0.001 0.000 0.257 885 G C 0.234 175.214 174.900 0.134 0.000 0.997 885 G CA 0.213 45.307 45.100 -0.010 0.000 0.708 885 G HN 0.598 nan 8.290 nan 0.000 0.520 886 W N -1.738 119.461 121.300 -0.169 0.000 4.849 886 W HA -0.255 4.406 4.660 0.001 0.000 0.358 886 W C 1.547 178.011 176.519 -0.093 0.000 1.331 886 W CA 0.752 58.021 57.345 -0.127 0.000 0.844 886 W CB -1.948 27.414 29.460 -0.163 0.000 2.434 886 W HN 0.541 nan 8.180 nan 0.000 1.458 887 R N -1.042 119.485 120.500 0.044 0.000 2.189 887 R HA -0.027 4.314 4.340 0.001 0.000 0.223 887 R C 1.322 177.631 176.300 0.016 0.000 1.092 887 R CA 1.520 57.632 56.100 0.019 0.000 0.989 887 R CB 0.010 30.304 30.300 -0.011 0.000 0.876 887 R HN 0.149 nan 8.270 nan 0.000 0.457 888 T N -0.776 113.778 114.554 -0.001 0.000 2.903 888 T HA 0.465 4.815 4.350 0.001 0.000 0.299 888 T C -1.683 173.015 174.700 -0.003 0.000 1.093 888 T CA -0.683 61.416 62.100 -0.000 0.000 1.002 888 T CB 1.959 70.812 68.868 -0.025 0.000 1.127 888 T HN -0.126 nan 8.240 nan 0.000 0.488 889 V N 2.949 122.883 119.914 0.034 0.000 2.709 889 V HA 0.622 4.742 4.120 0.001 0.000 0.308 889 V C -1.624 174.492 176.094 0.036 0.000 1.062 889 V CA -0.736 61.596 62.300 0.053 0.000 0.901 889 V CB 2.188 34.128 31.823 0.195 0.000 1.003 889 V HN 0.981 nan 8.190 nan 0.000 0.425 890 D N 6.597 127.006 120.400 0.015 0.000 2.280 890 D HA 0.461 5.101 4.640 0.001 0.000 0.236 890 D C -0.421 175.914 176.300 0.059 0.000 1.082 890 D CA -0.047 53.966 54.000 0.022 0.000 0.834 890 D CB 1.644 42.441 40.800 -0.004 0.000 1.100 890 D HN 0.331 nan 8.370 nan 0.000 0.486 891 I N 1.838 122.444 120.570 0.060 0.000 2.328 891 I HA 0.449 4.619 4.170 0.001 0.000 0.287 891 I C -0.032 176.111 176.117 0.043 0.000 1.012 891 I CA -0.862 60.485 61.300 0.079 0.000 1.195 891 I CB 0.705 38.758 38.000 0.088 0.000 1.350 891 I HN 0.310 nan 8.210 nan 0.000 0.464 892 A N 8.715 131.560 122.820 0.042 0.000 2.984 892 A HA 0.688 5.009 4.320 0.001 0.000 0.320 892 A C -2.692 174.883 177.584 -0.015 0.000 1.142 892 A CA -1.139 50.898 52.037 -0.002 0.000 0.772 892 A CB 0.435 19.435 19.000 -0.000 0.000 1.195 892 A HN 0.361 nan 8.150 nan 0.000 0.459 893 P HA 0.219 nan 4.420 nan 0.000 0.269 893 P C -0.554 176.631 177.300 -0.192 0.000 1.209 893 P CA 0.313 63.319 63.100 -0.157 0.000 0.776 893 P CB 0.549 31.892 31.700 -0.594 0.000 0.876 894 Q N 2.649 122.380 119.800 -0.115 0.000 3.244 894 Q HA 0.201 4.542 4.340 0.001 0.000 0.249 894 Q C -2.096 173.880 176.000 -0.040 0.000 0.951 894 Q CA -1.533 54.221 55.803 -0.081 0.000 0.740 894 Q CB 1.101 29.828 28.738 -0.018 0.000 1.334 894 Q HN 0.300 nan 8.270 nan 0.000 0.448 895 P HA -0.151 nan 4.420 nan 0.000 0.219 895 P C 0.095 177.484 177.300 0.149 0.000 1.146 895 P CA 0.809 63.905 63.100 -0.007 0.000 0.808 895 P CB 0.235 31.849 31.700 -0.142 0.000 0.779 896 C N -0.963 118.375 119.300 0.063 0.000 0.181 896 C HA -0.239 4.222 4.460 0.001 0.000 0.017 896 C C 1.466 176.479 174.990 0.038 0.000 0.173 896 C CA 1.553 60.593 59.018 0.037 0.000 0.500 896 C CB -2.039 25.719 27.740 0.030 0.000 3.212 896 C HN 0.424 nan 8.230 nan 0.000 1.118 897 D N 2.333 122.752 120.400 0.032 0.000 2.342 897 D HA 0.368 5.008 4.640 0.001 0.000 0.221 897 D C 0.100 176.424 176.300 0.039 0.000 1.101 897 D CA 0.178 54.182 54.000 0.007 0.000 0.837 897 D CB -0.540 40.253 40.800 -0.012 0.000 0.938 897 D HN 0.694 nan 8.370 nan 0.000 0.508 898 L N 0.575 121.873 121.223 0.125 0.000 2.399 898 L HA 0.298 4.639 4.340 0.001 0.000 0.266 898 L C 1.704 178.751 176.870 0.296 0.000 1.114 898 L CA -0.237 54.691 54.840 0.145 0.000 0.804 898 L CB 1.429 43.604 42.059 0.195 0.000 1.146 898 L HN -0.015 nan 8.230 nan 0.000 0.451 899 T N -3.225 111.455 114.554 0.209 0.000 3.037 899 T HA 0.095 4.446 4.350 0.001 0.000 0.252 899 T C -0.022 175.042 174.700 0.608 0.000 1.073 899 T CA -0.286 62.072 62.100 0.430 0.000 1.091 899 T CB 0.187 69.248 68.868 0.322 0.000 0.935 899 T HN 0.669 nan 8.240 nan 0.000 0.488 900 W N -0.145 121.295 121.300 0.233 0.000 3.059 900 W HA 0.711 5.371 4.660 0.001 0.000 0.329 900 W C -2.094 174.077 176.519 -0.579 0.000 1.246 900 W CA -1.646 55.660 57.345 -0.065 0.000 1.190 900 W CB 0.978 30.383 29.460 -0.092 0.000 1.423 900 W HN 0.172 nan 8.180 nan 0.000 0.571 901 A N 1.645 123.951 122.820 -0.856 0.000 2.608 901 A HA 0.725 5.045 4.320 0.001 0.000 0.292 901 A C -1.289 175.769 177.584 -0.876 0.000 1.066 901 A CA -0.699 50.674 52.037 -1.107 0.000 0.676 901 A CB 2.117 20.230 19.000 -1.478 0.000 1.277 901 A HN 0.811 nan 8.150 nan 0.000 0.413 902 E N 0.407 120.196 120.200 -0.684 0.000 2.390 902 E HA 0.705 5.056 4.350 0.001 0.000 0.280 902 E C -0.318 176.016 176.600 -0.444 0.000 0.992 902 E CA -0.601 55.524 56.400 -0.457 0.000 0.790 902 E CB 1.716 31.249 29.700 -0.278 0.000 1.248 902 E HN 1.911 nan 8.360 nan 0.000 0.447 903 G N -0.105 108.533 108.800 -0.270 0.000 2.488 903 G HA2 0.499 4.460 3.960 0.001 0.000 0.301 903 G HA3 0.499 4.460 3.960 0.001 0.000 0.301 903 G C -1.696 173.116 174.900 -0.147 0.000 1.339 903 G CA -0.372 44.602 45.100 -0.208 0.000 0.803 903 G HN 0.478 nan 8.290 nan 0.000 0.482 904 V N -0.404 119.438 119.914 -0.121 0.000 2.733 904 V HA 0.636 4.756 4.120 0.001 0.000 0.306 904 V C -0.635 175.418 176.094 -0.069 0.000 1.084 904 V CA -0.696 61.504 62.300 -0.167 0.000 0.905 904 V CB 1.825 33.481 31.823 -0.279 0.000 1.010 904 V HN 0.739 nan 8.190 nan 0.000 0.424 905 V N 6.486 126.341 119.914 -0.098 0.000 2.409 905 V HA 0.474 4.595 4.120 0.001 0.000 0.291 905 V C -2.200 173.780 176.094 -0.190 0.000 1.020 905 V CA -1.745 60.452 62.300 -0.171 0.000 0.848 905 V CB 2.196 33.829 31.823 -0.317 0.000 0.990 905 V HN 0.724 nan 8.190 nan 0.000 0.430 906 P HA 0.334 nan 4.420 nan 0.000 0.274 906 P C -1.031 176.075 177.300 -0.323 0.000 1.237 906 P CA -0.279 62.766 63.100 -0.091 0.000 0.793 906 P CB 1.340 33.052 31.700 0.020 0.000 0.977 907 L N 3.144 124.202 121.223 -0.276 0.000 2.334 907 L HA 0.354 4.695 4.340 0.001 0.000 0.276 907 L C -0.953 175.736 176.870 -0.301 0.000 1.014 907 L CA -2.159 52.401 54.840 -0.467 0.000 0.815 907 L CB 2.113 43.974 42.059 -0.329 0.000 1.268 907 L HN 0.235 nan 8.230 nan 0.000 0.428 908 P HA -0.211 nan 4.420 nan 0.000 0.218 908 P C 0.770 177.996 177.300 -0.124 0.000 1.149 908 P CA 1.171 64.150 63.100 -0.203 0.000 0.817 908 P CB 0.185 31.675 31.700 -0.350 0.000 0.785 909 Q N 0.195 119.911 119.800 -0.140 0.000 2.444 909 Q HA 0.213 4.553 4.340 0.001 0.000 0.206 909 Q C 0.744 176.701 176.000 -0.070 0.000 0.948 909 Q CA 0.988 56.740 55.803 -0.084 0.000 0.946 909 Q CB -0.394 28.299 28.738 -0.076 0.000 1.027 909 Q HN 0.194 nan 8.270 nan 0.000 0.513 910 G N -0.765 107.988 108.800 -0.078 0.000 2.617 910 G HA2 0.353 4.313 3.960 0.001 0.000 0.686 910 G HA3 0.353 4.313 3.960 0.001 0.000 0.686 910 G C 0.047 174.904 174.900 -0.071 0.000 1.214 910 G CA -0.237 44.830 45.100 -0.054 0.000 0.796 910 G HN 1.004 nan 8.290 nan 0.000 0.654 911 G N 0.346 109.119 108.800 -0.045 0.000 2.698 911 G HA2 0.536 4.496 3.960 0.001 0.000 0.225 911 G HA3 0.536 4.496 3.960 0.001 0.000 0.225 911 G C -0.283 174.609 174.900 -0.014 0.000 1.345 911 G CA 0.964 46.033 45.100 -0.053 0.000 0.871 911 G HN 3.287 nan 8.290 nan 0.000 0.540 912 H N -2.154 116.985 119.070 0.116 0.000 2.948 912 H HA 0.764 5.321 4.556 0.001 0.000 0.315 912 H C -0.947 174.417 175.328 0.060 0.000 1.360 912 H CA -1.482 54.577 56.048 0.019 0.000 1.125 912 H CB 0.654 30.425 29.762 0.015 0.000 1.844 912 H HN 0.852 nan 8.280 nan 0.000 0.529 913 I N 1.339 122.054 120.570 0.242 0.000 2.382 913 I HA 0.623 4.793 4.170 0.001 0.000 0.286 913 I C -0.072 176.063 176.117 0.031 0.000 1.002 913 I CA -0.548 60.856 61.300 0.173 0.000 1.135 913 I CB 0.575 38.638 38.000 0.104 0.000 1.288 913 I HN 0.854 nan 8.210 nan 0.000 0.448 914 A N 6.909 129.747 122.820 0.031 0.000 2.318 914 A HA 0.821 5.141 4.320 0.001 0.000 0.324 914 A C -0.684 176.894 177.584 -0.010 0.000 1.170 914 A CA -0.473 51.498 52.037 -0.110 0.000 0.810 914 A CB 1.388 20.272 19.000 -0.193 0.000 1.198 914 A HN 0.431 nan 8.150 nan 0.000 0.484 915 V N 2.051 121.951 119.914 -0.024 0.000 2.709 915 V HA 0.764 4.884 4.120 0.001 0.000 0.308 915 V C -0.177 175.884 176.094 -0.055 0.000 1.062 915 V CA -0.180 62.135 62.300 0.025 0.000 0.901 915 V CB 2.175 34.064 31.823 0.111 0.000 1.003 915 V HN 1.256 nan 8.190 nan 0.000 0.425 916 S N 4.153 119.836 115.700 -0.028 0.000 2.540 916 S HA 0.873 5.343 4.470 0.001 0.000 0.275 916 S C -1.449 173.166 174.600 0.025 0.000 1.123 916 S CA -0.733 57.389 58.200 -0.130 0.000 0.907 916 S CB 2.183 65.312 63.200 -0.118 0.000 1.081 916 S HN 1.076 nan 8.310 nan 0.000 0.476 917 W N 1.367 122.662 121.300 -0.008 0.000 3.137 917 W HA 0.796 5.456 4.660 0.001 0.000 0.324 917 W C -1.453 175.068 176.519 0.003 0.000 1.253 917 W CA -0.760 56.559 57.345 -0.042 0.000 1.183 917 W CB 0.870 30.275 29.460 -0.092 0.000 1.424 917 W HN 1.037 nan 8.180 nan 0.000 0.566 918 E N 0.643 121.071 120.200 0.379 0.000 2.380 918 E HA 0.462 4.813 4.350 0.001 0.000 0.281 918 E C -2.274 174.412 176.600 0.143 0.000 0.999 918 E CA -0.887 55.725 56.400 0.353 0.000 0.800 918 E CB 2.011 31.855 29.700 0.240 0.000 1.228 918 E HN 0.216 nan 8.360 nan 0.000 0.436 919 F N 1.818 121.920 119.950 0.254 0.000 2.467 919 F HA 0.126 4.653 4.527 0.001 0.000 0.362 919 F C 1.548 177.411 175.800 0.105 0.000 1.090 919 F CA -0.053 58.031 58.000 0.140 0.000 1.202 919 F CB 1.672 40.739 39.000 0.113 0.000 1.113 919 F HN 0.496 nan 8.300 nan 0.000 0.541 920 V N -0.249 119.793 119.914 0.213 0.000 3.471 920 V HA 0.258 4.379 4.120 0.001 0.000 0.258 920 V C 0.371 176.543 176.094 0.130 0.000 1.192 920 V CA 0.785 63.166 62.300 0.136 0.000 1.116 920 V CB -0.643 31.226 31.823 0.077 0.000 0.792 920 V HN 0.682 nan 8.190 nan 0.000 0.459 921 S N -1.075 114.727 115.700 0.170 0.000 2.636 921 S HA 0.743 5.214 4.470 0.001 0.000 0.266 921 S C -0.282 174.405 174.600 0.144 0.000 1.147 921 S CA -0.336 57.936 58.200 0.121 0.000 0.815 921 S CB 0.900 64.148 63.200 0.079 0.000 1.119 921 S HN 1.584 nan 8.310 nan 0.000 0.470 922 A N 0.325 123.187 122.820 0.069 0.000 2.566 922 A HA 0.500 4.820 4.320 0.001 0.000 0.245 922 A C 1.643 179.274 177.584 0.079 0.000 1.056 922 A CA 0.655 52.710 52.037 0.029 0.000 0.757 922 A CB -1.625 17.374 19.000 -0.003 0.000 0.979 922 A HN 2.691 nan 8.150 nan 0.000 0.508 923 G N 1.497 110.356 108.800 0.098 0.000 2.187 923 G HA2 -0.288 3.672 3.960 0.001 0.000 0.261 923 G HA3 -0.288 3.672 3.960 0.001 0.000 0.261 923 G C 0.208 175.238 174.900 0.217 0.000 1.000 923 G CA 1.126 46.326 45.100 0.167 0.000 0.718 923 G HN 1.094 nan 8.290 nan 0.000 0.519 924 K N -0.104 120.467 120.400 0.285 0.000 2.463 924 K HA 0.700 5.021 4.320 0.001 0.000 0.255 924 K C -0.054 176.593 176.600 0.078 0.000 0.942 924 K CA -0.931 55.443 56.287 0.146 0.000 0.814 924 K CB 0.861 33.420 32.500 0.098 0.000 1.122 924 K HN 0.130 nan 8.250 nan 0.000 0.425 925 L N 2.898 124.054 121.223 -0.112 0.000 2.334 925 L HA 0.524 4.865 4.340 0.001 0.000 0.270 925 L C -0.282 176.528 176.870 -0.099 0.000 1.018 925 L CA -0.878 53.805 54.840 -0.261 0.000 0.811 925 L CB 1.740 43.523 42.059 -0.460 0.000 1.271 925 L HN 0.534 nan 8.230 nan 0.000 0.443 926 K N 2.578 122.947 120.400 -0.052 0.000 2.323 926 K HA 0.577 4.898 4.320 0.001 0.000 0.259 926 K C -1.837 174.789 176.600 0.043 0.000 0.947 926 K CA -0.649 55.640 56.287 0.002 0.000 0.819 926 K CB 1.897 34.409 32.500 0.020 0.000 1.109 926 K HN 0.366 nan 8.250 nan 0.000 0.429 927 L N 3.809 125.058 121.223 0.043 0.000 2.436 927 L HA 0.540 4.881 4.340 0.001 0.000 0.268 927 L C -1.435 175.476 176.870 0.068 0.000 0.974 927 L CA -0.405 54.491 54.840 0.094 0.000 0.826 927 L CB 1.858 43.956 42.059 0.066 0.000 1.291 927 L HN 0.710 nan 8.230 nan 0.000 0.406 928 R N 5.025 125.571 120.500 0.076 0.000 2.599 928 R HA 0.808 5.148 4.340 0.001 0.000 0.295 928 R C -1.699 174.639 176.300 0.063 0.000 0.963 928 R CA -0.579 55.550 56.100 0.049 0.000 0.883 928 R CB 1.336 31.648 30.300 0.020 0.000 1.171 928 R HN 0.794 nan 8.270 nan 0.000 0.450 929 I N 2.530 123.140 120.570 0.066 0.000 2.533 929 I HA 0.326 4.496 4.170 0.001 0.000 0.290 929 I C -0.851 175.324 176.117 0.096 0.000 1.056 929 I CA -0.628 60.722 61.300 0.084 0.000 1.057 929 I CB 2.318 40.371 38.000 0.088 0.000 1.240 929 I HN 0.623 nan 8.210 nan 0.000 0.423 930 E N 5.045 125.321 120.200 0.126 0.000 2.224 930 E HA 0.840 5.191 4.350 0.001 0.000 0.265 930 E C -1.564 175.219 176.600 0.305 0.000 0.878 930 E CA -0.567 55.950 56.400 0.194 0.000 0.759 930 E CB 2.120 31.912 29.700 0.154 0.000 1.164 930 E HN 0.749 nan 8.360 nan 0.000 0.414 931 A N 4.317 127.336 122.820 0.332 0.000 2.610 931 A HA 0.633 4.954 4.320 0.001 0.000 0.291 931 A C -2.892 174.641 177.584 -0.086 0.000 1.086 931 A CA -1.459 50.722 52.037 0.241 0.000 0.677 931 A CB 1.419 20.497 19.000 0.130 0.000 1.278 931 A HN 0.466 nan 8.150 nan 0.000 0.414 932 P HA 0.103 nan 4.420 nan 0.000 0.266 932 P C 0.643 177.771 177.300 -0.286 0.000 1.195 932 P CA 0.325 63.029 63.100 -0.659 0.000 0.768 932 P CB 0.500 31.910 31.700 -0.483 0.000 0.838 933 E N 2.596 122.651 120.200 -0.243 0.000 2.171 933 E HA -0.269 4.081 4.350 0.001 0.000 0.197 933 E C 0.622 177.175 176.600 -0.078 0.000 0.997 933 E CA 1.441 57.775 56.400 -0.110 0.000 0.810 933 E CB -0.595 29.056 29.700 -0.081 0.000 0.738 933 E HN 0.490 nan 8.360 nan 0.000 0.467 934 D N 1.065 121.409 120.400 -0.093 0.000 2.336 934 D HA 0.008 4.649 4.640 0.001 0.000 0.229 934 D C 0.565 176.840 176.300 -0.042 0.000 1.061 934 D CA 0.048 54.012 54.000 -0.059 0.000 0.875 934 D CB -0.094 40.669 40.800 -0.061 0.000 0.904 934 D HN 0.281 nan 8.370 nan 0.000 0.525 935 I N 1.293 121.839 120.570 -0.040 0.000 2.336 935 I HA 0.115 4.285 4.170 0.001 0.000 0.292 935 I C 0.423 176.544 176.117 0.007 0.000 0.991 935 I CA -0.892 60.404 61.300 -0.006 0.000 1.227 935 I CB 1.748 39.755 38.000 0.012 0.000 1.366 935 I HN -0.117 nan 8.210 nan 0.000 0.466 936 E N 6.327 126.533 120.200 0.010 0.000 2.316 936 E HA 0.308 4.659 4.350 0.001 0.000 0.275 936 E C -1.404 175.210 176.600 0.024 0.000 1.029 936 E CA -0.448 55.959 56.400 0.011 0.000 0.871 936 E CB 1.136 30.837 29.700 0.001 0.000 1.022 936 E HN 0.351 nan 8.360 nan 0.000 0.418 937 V N 5.520 125.450 119.914 0.027 0.000 2.384 937 V HA 0.266 4.386 4.120 0.001 0.000 0.287 937 V C -0.428 175.682 176.094 0.027 0.000 1.020 937 V CA -1.033 61.291 62.300 0.039 0.000 0.850 937 V CB 1.527 33.381 31.823 0.051 0.000 0.987 937 V HN 0.676 nan 8.190 nan 0.000 0.436 938 N N 3.741 122.455 118.700 0.024 0.000 2.424 938 N HA 0.489 5.230 4.740 0.001 0.000 0.271 938 N C -0.803 174.718 175.510 0.018 0.000 0.985 938 N CA -0.254 52.804 53.050 0.014 0.000 0.921 938 N CB 2.348 40.838 38.487 0.004 0.000 1.149 938 N HN 0.389 nan 8.380 nan 0.000 0.492 939 V N 1.892 121.815 119.914 0.014 0.000 2.435 939 V HA 0.477 4.597 4.120 0.001 0.000 0.290 939 V C 0.132 176.223 176.094 -0.004 0.000 1.030 939 V CA -0.384 61.922 62.300 0.010 0.000 0.881 939 V CB 1.663 33.494 31.823 0.012 0.000 0.983 939 V HN 0.574 nan 8.190 nan 0.000 0.445 940 T N 5.990 120.536 114.554 -0.013 0.000 2.906 940 T HA 0.503 4.853 4.350 0.001 0.000 0.302 940 T C -0.308 174.362 174.700 -0.051 0.000 1.002 940 T CA -0.392 61.693 62.100 -0.025 0.000 0.988 940 T CB 0.795 69.651 68.868 -0.020 0.000 0.972 940 T HN 0.347 nan 8.240 nan 0.000 0.447 941 L N 5.146 126.332 121.223 -0.061 0.000 2.439 941 L HA 0.339 4.680 4.340 0.001 0.000 0.269 941 L C -1.403 175.413 176.870 -0.090 0.000 1.179 941 L CA -1.841 52.940 54.840 -0.099 0.000 0.828 941 L CB 0.232 42.237 42.059 -0.090 0.000 1.106 941 L HN 0.343 nan 8.230 nan 0.000 0.467 942 P HA -0.050 nan 4.420 nan 0.000 0.270 942 P C -0.538 176.735 177.300 -0.045 0.000 1.223 942 P CA -0.404 62.645 63.100 -0.085 0.000 0.785 942 P CB 0.428 32.059 31.700 -0.116 0.000 0.923 943 E N 0.618 120.800 120.200 -0.029 0.000 2.820 943 E HA -0.005 4.345 4.350 0.001 0.000 0.251 943 E C 1.153 177.750 176.600 -0.005 0.000 0.944 943 E CA 0.981 57.372 56.400 -0.015 0.000 0.955 943 E CB -0.905 28.788 29.700 -0.012 0.000 0.904 943 E HN 0.782 nan 8.360 nan 0.000 0.513 944 G N 4.361 113.159 108.800 -0.004 0.000 2.175 944 G HA2 -0.244 3.717 3.960 0.001 0.000 0.265 944 G HA3 -0.244 3.717 3.960 0.001 0.000 0.265 944 G C 0.176 175.086 174.900 0.017 0.000 0.979 944 G CA 0.330 45.433 45.100 0.005 0.000 0.663 944 G HN 0.492 nan 8.290 nan 0.000 0.533 945 I N 1.371 121.949 120.570 0.013 0.000 2.392 945 I HA 0.424 4.594 4.170 0.001 0.000 0.295 945 I C 0.692 176.807 176.117 -0.003 0.000 0.985 945 I CA -0.919 60.397 61.300 0.028 0.000 1.221 945 I CB 1.237 39.247 38.000 0.018 0.000 1.366 945 I HN 0.554 nan 8.210 nan 0.000 0.467 946 E N 4.660 124.865 120.200 0.010 0.000 2.303 946 E HA 0.882 5.233 4.350 0.001 0.000 0.254 946 E C -0.308 176.281 176.600 -0.019 0.000 0.979 946 E CA -0.900 55.497 56.400 -0.005 0.000 0.843 946 E CB 2.642 32.348 29.700 0.009 0.000 1.245 946 E HN 0.691 nan 8.360 nan 0.000 0.413 947 G N -0.084 108.705 108.800 -0.019 0.000 2.327 947 G HA2 0.228 4.188 3.960 0.001 0.000 0.291 947 G HA3 0.228 4.188 3.960 0.001 0.000 0.291 947 G C -1.826 173.063 174.900 -0.017 0.000 1.290 947 G CA -0.738 44.346 45.100 -0.025 0.000 0.857 947 G HN 0.536 nan 8.290 nan 0.000 0.520 948 E N -0.450 119.741 120.200 -0.015 0.000 2.145 948 E HA 0.614 4.965 4.350 0.001 0.000 0.270 948 E C -0.716 175.882 176.600 -0.003 0.000 0.906 948 E CA -0.508 55.889 56.400 -0.005 0.000 0.761 948 E CB 1.743 31.443 29.700 0.001 0.000 1.116 948 E HN 0.513 nan 8.360 nan 0.000 0.408 949 V N 4.420 124.334 119.914 0.001 0.000 2.384 949 V HA 0.428 4.549 4.120 0.001 0.000 0.287 949 V C -0.260 175.844 176.094 0.016 0.000 1.020 949 V CA -0.703 61.604 62.300 0.010 0.000 0.850 949 V CB 1.836 33.664 31.823 0.008 0.000 0.987 949 V HN 0.759 nan 8.190 nan 0.000 0.436 950 T N 5.322 119.890 114.554 0.023 0.000 2.770 950 T HA 0.346 4.696 4.350 0.001 0.000 0.297 950 T C -0.355 174.365 174.700 0.034 0.000 0.997 950 T CA -0.195 61.919 62.100 0.023 0.000 0.949 950 T CB 0.849 69.727 68.868 0.018 0.000 0.941 950 T HN 0.728 nan 8.240 nan 0.000 0.457 951 Q N 3.473 123.294 119.800 0.035 0.000 2.325 951 Q HA 0.563 4.904 4.340 0.001 0.000 0.262 951 Q C -1.329 174.702 176.000 0.052 0.000 0.968 951 Q CA -0.591 55.240 55.803 0.047 0.000 0.877 951 Q CB 0.930 29.693 28.738 0.042 0.000 1.253 951 Q HN 0.431 nan 8.270 nan 0.000 0.448 952 V N 4.515 124.472 119.914 0.071 0.000 2.459 952 V HA 0.458 4.579 4.120 0.001 0.000 0.295 952 V C -0.480 175.693 176.094 0.131 0.000 1.029 952 V CA -0.700 61.651 62.300 0.086 0.000 0.874 952 V CB 1.763 33.633 31.823 0.079 0.000 0.985 952 V HN 0.721 nan 8.190 nan 0.000 0.438 953 K N 3.999 124.469 120.400 0.117 0.000 2.270 953 K HA 0.662 4.982 4.320 0.001 0.000 0.255 953 K C -1.368 175.334 176.600 0.171 0.000 0.936 953 K CA -0.630 55.725 56.287 0.113 0.000 0.809 953 K CB 2.174 34.695 32.500 0.035 0.000 1.131 953 K HN 0.726 nan 8.250 nan 0.000 0.427 954 Y N -0.866 119.430 120.300 -0.008 0.000 2.602 954 Y HA 0.546 5.096 4.550 0.001 0.000 0.342 954 Y C -0.260 175.624 175.900 -0.026 0.000 1.029 954 Y CA -1.650 56.438 58.100 -0.019 0.000 1.080 954 Y CB 0.693 39.136 38.460 -0.030 0.000 1.284 954 Y HN 0.347 nan 8.280 nan 0.000 0.485 955 M N 2.320 121.946 119.600 0.044 0.000 2.245 955 M HA 0.213 4.693 4.480 0.001 0.000 0.344 955 M C 0.236 176.458 176.300 -0.130 0.000 1.170 955 M CA 0.313 55.582 55.300 -0.051 0.000 1.135 955 M CB 0.679 33.288 32.600 0.015 0.000 1.574 955 M HN 0.852 nan 8.290 nan 0.000 0.452 956 S N 0.000 115.611 115.700 -0.149 0.000 2.498 956 S HA 0.000 4.471 4.470 0.001 0.000 0.327 956 S CA 0.000 58.113 58.200 -0.144 0.000 1.107 956 S CB 0.000 63.128 63.200 -0.121 0.000 0.593 956 S HN 0.000 nan 8.310 nan 0.000 0.517