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 3deg_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKNIRNFSII AHIDHGKSTL SDRIIQICGG LSDREMEAQV LDSMDLERER DATA SEQUENCE GITIKAQSVT LDYKASDGET YQLNFIDTPG HVDFSYEVSR SLAACEGALL DATA SEQUENCE VVDAGQGVEA QTLANCYTAM EMDLEVVPVL NKIDLPAADP ERVAEEIEDI DATA SEQUENCE VGIDATDAVR CSAKTGVGVQ DVLERLVRDI PPPEGDPEGP LQALIIDSWF DATA SEQUENCE DNYLGVVSLI RIKNGTLRKG DKVKVMSTGQ TYNADRLGIF TPKQVDRTEL DATA SEQUENCE KCGEVGWLVC AIKDIHGAPV GDTLTLARNP AEKALPGFKK VKPQVYAGLF DATA SEQUENCE PVSSDDYEAF RDALGKLSLN DASLFYEPES SSALGFGFRC GFLGLLHMEI DATA SEQUENCE IQERLEREYD LDLITTAPTV VYEVETTSRE VIYVDSPSKL PAVNNIYELR DATA SEQUENCE EPIAECHMLL PQAYLGNVIT LCVEKRGVQT NMVYHGNQVA LTYEIPMAEV DATA SEQUENCE VLDFFDRLKS TSRGYASLDY NFKRFQASDM VRVDVLINGE RVDALALITH DATA SEQUENCE RDNSQNRGRE LVEKMKDLIP RQQFDIAIQA AIGTHIIARS TVKQL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.337 176.300 0.061 0.000 1.140 1 M CA 0.000 55.324 55.300 0.039 0.000 0.988 1 M CB 0.000 32.619 32.600 0.031 0.000 1.302 2 K N 1.223 121.655 120.400 0.053 0.000 2.281 2 K HA -0.063 4.256 4.320 -0.001 0.000 0.203 2 K C 0.774 177.457 176.600 0.138 0.000 1.046 2 K CA 1.412 57.745 56.287 0.078 0.000 0.938 2 K CB -0.053 32.478 32.500 0.053 0.000 0.737 2 K HN 0.218 nan 8.250 nan 0.000 0.458 3 N N -0.311 118.450 118.700 0.102 0.000 2.205 3 N HA 0.163 4.902 4.740 -0.001 0.000 0.201 3 N C -0.474 175.199 175.510 0.270 0.000 1.128 3 N CA 0.104 53.240 53.050 0.144 0.000 0.867 3 N CB 0.524 38.896 38.487 -0.192 0.000 0.996 3 N HN 0.038 nan 8.380 nan 0.000 0.503 4 I N 0.999 121.684 120.570 0.193 0.000 2.440 4 I HA 0.283 4.452 4.170 -0.001 0.000 0.294 4 I C 0.137 176.375 176.117 0.202 0.000 0.995 4 I CA -0.534 60.878 61.300 0.185 0.000 1.306 4 I CB 0.848 38.920 38.000 0.120 0.000 1.407 4 I HN -0.241 nan 8.210 nan 0.000 0.501 5 R N 4.673 125.309 120.500 0.226 0.000 2.468 5 R HA 0.358 4.697 4.340 -0.001 0.000 0.302 5 R C -1.343 175.159 176.300 0.336 0.000 1.041 5 R CA -0.837 55.401 56.100 0.230 0.000 0.899 5 R CB 1.017 31.422 30.300 0.174 0.000 1.167 5 R HN 0.517 nan 8.270 nan 0.000 0.483 6 N N 3.941 122.801 118.700 0.266 0.000 2.426 6 N HA 0.475 5.214 4.740 -0.001 0.000 0.275 6 N C -0.336 175.376 175.510 0.337 0.000 1.019 6 N CA -0.097 53.096 53.050 0.239 0.000 0.941 6 N CB 1.090 39.655 38.487 0.130 0.000 1.123 6 N HN 0.394 nan 8.380 nan 0.000 0.486 7 F N -1.642 118.371 119.950 0.106 0.000 2.713 7 F HA 0.707 5.233 4.527 -0.001 0.000 0.311 7 F C -0.742 175.136 175.800 0.131 0.000 1.141 7 F CA -1.196 56.853 58.000 0.083 0.000 0.939 7 F CB 0.738 39.760 39.000 0.037 0.000 1.325 7 F HN 0.307 nan 8.300 nan 0.000 0.453 8 S N 0.733 116.523 115.700 0.150 0.000 2.634 8 S HA 0.840 5.309 4.470 -0.001 0.000 0.296 8 S C -1.189 173.490 174.600 0.131 0.000 1.104 8 S CA -0.844 57.399 58.200 0.073 0.000 0.920 8 S CB 2.097 65.336 63.200 0.064 0.000 1.111 8 S HN 0.740 nan 8.310 nan 0.000 0.493 9 I N 1.447 122.059 120.570 0.069 0.000 2.355 9 I HA 0.374 4.543 4.170 -0.001 0.000 0.288 9 I C -0.945 175.194 176.117 0.037 0.000 0.999 9 I CA -0.616 60.704 61.300 0.033 0.000 1.163 9 I CB 1.036 38.997 38.000 -0.065 0.000 1.316 9 I HN 0.529 nan 8.210 nan 0.000 0.454 10 I N 6.675 127.262 120.570 0.027 0.000 2.297 10 I HA 0.636 4.805 4.170 -0.001 0.000 0.291 10 I C 0.287 176.422 176.117 0.030 0.000 1.033 10 I CA 0.052 61.369 61.300 0.028 0.000 1.253 10 I CB 0.887 38.892 38.000 0.008 0.000 1.396 10 I HN 0.639 nan 8.210 nan 0.000 0.476 11 A N 5.183 128.057 122.820 0.090 0.000 2.602 11 A HA 0.478 4.797 4.320 -0.001 0.000 0.290 11 A C -0.298 177.480 177.584 0.325 0.000 1.114 11 A CA -0.494 51.660 52.037 0.196 0.000 0.683 11 A CB 1.555 20.625 19.000 0.116 0.000 1.281 11 A HN 0.761 nan 8.150 nan 0.000 0.416 12 H N -0.052 119.266 119.070 0.414 0.000 2.338 12 H HA 0.294 4.849 4.556 -0.002 0.000 0.291 12 H C 1.181 176.485 175.328 -0.040 0.000 0.989 12 H CA 1.202 57.262 56.048 0.019 0.000 1.281 12 H CB 0.504 30.045 29.762 -0.368 0.000 1.484 12 H HN 0.576 nan 8.280 nan 0.000 0.576 13 I N 0.467 120.953 120.570 -0.140 0.000 3.700 13 I HA 0.078 4.247 4.170 -0.001 0.000 0.232 13 I C -0.546 175.427 176.117 -0.241 0.000 1.033 13 I CA 0.244 61.357 61.300 -0.312 0.000 1.525 13 I CB 0.241 38.163 38.000 -0.130 0.000 1.411 13 I HN 0.143 nan 8.210 nan 0.000 0.458 14 D N -0.734 119.603 120.400 -0.105 0.000 2.457 14 D HA 0.213 4.852 4.640 -0.001 0.000 0.240 14 D C -0.032 176.284 176.300 0.027 0.000 1.041 14 D CA -0.385 53.564 54.000 -0.084 0.000 0.861 14 D CB 1.608 42.352 40.800 -0.094 0.000 1.394 14 D HN 0.344 nan 8.370 nan 0.000 0.473 15 H N 0.661 119.737 119.070 0.010 0.000 2.502 15 H HA 0.116 4.671 4.556 -0.001 0.000 0.283 15 H C 1.171 176.502 175.328 0.006 0.000 1.015 15 H CA 0.749 56.814 56.048 0.029 0.000 1.298 15 H CB 0.410 30.204 29.762 0.053 0.000 1.411 15 H HN 0.772 nan 8.280 nan 0.000 0.556 16 G N 1.139 110.003 108.800 0.108 0.000 2.165 16 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.226 16 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.226 16 G C 1.092 176.001 174.900 0.014 0.000 1.035 16 G CA 0.490 45.615 45.100 0.042 0.000 0.744 16 G HN 0.564 nan 8.290 nan 0.000 0.501 17 K N -0.796 119.616 120.400 0.020 0.000 2.296 17 K HA 0.236 4.555 4.320 -0.001 0.000 0.200 17 K C 1.989 178.569 176.600 -0.033 0.000 1.048 17 K CA 1.691 57.967 56.287 -0.019 0.000 0.966 17 K CB 0.051 32.547 32.500 -0.008 0.000 0.754 17 K HN 0.637 nan 8.250 nan 0.000 0.466 18 S N -0.502 115.195 115.700 -0.004 0.000 2.818 18 S HA 0.038 4.508 4.470 -0.001 0.000 0.251 18 S C 1.505 176.112 174.600 0.012 0.000 1.083 18 S CA 0.159 58.367 58.200 0.014 0.000 0.871 18 S CB 0.063 63.275 63.200 0.020 0.000 0.831 18 S HN 0.365 nan 8.310 nan 0.000 0.470 19 T N 3.056 117.612 114.554 0.004 0.000 2.995 19 T HA 0.079 4.429 4.350 -0.001 0.000 0.269 19 T C 1.584 176.278 174.700 -0.010 0.000 1.091 19 T CA 1.112 63.213 62.100 0.001 0.000 1.128 19 T CB -0.333 68.536 68.868 0.001 0.000 0.891 19 T HN 0.253 nan 8.240 nan 0.000 0.492 20 L N 1.488 122.696 121.223 -0.024 0.000 2.093 20 L HA 0.014 4.353 4.340 -0.001 0.000 0.208 20 L C 2.634 179.461 176.870 -0.071 0.000 1.085 20 L CA 1.463 56.272 54.840 -0.052 0.000 0.755 20 L CB -0.975 41.038 42.059 -0.077 0.000 0.904 20 L HN 0.218 nan 8.230 nan 0.000 0.435 21 S N -0.553 115.099 115.700 -0.079 0.000 2.381 21 S HA -0.285 4.184 4.470 -0.001 0.000 0.230 21 S C 1.751 176.390 174.600 0.066 0.000 1.052 21 S CA 2.072 60.239 58.200 -0.055 0.000 1.068 21 S CB -0.471 62.777 63.200 0.080 0.000 0.918 21 S HN 0.610 nan 8.310 nan 0.000 0.448 22 D N 0.527 120.957 120.400 0.050 0.000 2.084 22 D HA -0.026 4.614 4.640 -0.001 0.000 0.194 22 D C 2.328 178.652 176.300 0.041 0.000 0.990 22 D CA 1.168 55.199 54.000 0.051 0.000 0.826 22 D CB -0.401 40.415 40.800 0.027 0.000 0.971 22 D HN 0.387 nan 8.370 nan 0.000 0.453 23 R N 0.169 120.678 120.500 0.016 0.000 2.120 23 R HA -0.001 4.338 4.340 -0.001 0.000 0.234 23 R C 2.439 178.747 176.300 0.015 0.000 1.123 23 R CA 0.545 56.651 56.100 0.010 0.000 0.975 23 R CB -0.349 29.947 30.300 -0.007 0.000 0.866 23 R HN 0.258 nan 8.270 nan 0.000 0.446 24 I N 0.291 120.865 120.570 0.007 0.000 2.163 24 I HA -0.310 3.859 4.170 -0.001 0.000 0.243 24 I C 2.030 178.198 176.117 0.085 0.000 1.085 24 I CA 1.459 62.771 61.300 0.019 0.000 1.347 24 I CB -0.316 37.681 38.000 -0.006 0.000 1.044 24 I HN 0.115 nan 8.210 nan 0.000 0.408 25 I N 0.284 120.927 120.570 0.121 0.000 2.208 25 I HA -0.346 3.823 4.170 -0.001 0.000 0.245 25 I C 2.632 178.804 176.117 0.092 0.000 1.097 25 I CA 1.547 62.925 61.300 0.128 0.000 1.363 25 I CB -0.508 37.565 38.000 0.123 0.000 1.051 25 I HN 0.329 nan 8.210 nan 0.000 0.413 26 Q N 0.619 120.460 119.800 0.068 0.000 2.096 26 Q HA -0.202 4.137 4.340 -0.001 0.000 0.204 26 Q C 2.318 178.356 176.000 0.065 0.000 0.982 26 Q CA 1.936 57.773 55.803 0.056 0.000 0.850 26 Q CB -0.275 28.487 28.738 0.039 0.000 0.901 26 Q HN 0.719 nan 8.270 nan 0.000 0.422 27 I N -3.021 117.590 120.570 0.068 0.000 3.428 27 I HA -0.027 4.142 4.170 -0.001 0.000 0.286 27 I C 1.185 177.383 176.117 0.135 0.000 1.287 27 I CA 0.116 61.468 61.300 0.086 0.000 1.396 27 I CB 0.012 38.052 38.000 0.066 0.000 1.062 27 I HN 0.090 nan 8.210 nan 0.000 0.471 28 C N 1.038 120.420 119.300 0.135 0.000 2.547 28 C HA 0.502 4.962 4.460 -0.001 0.000 0.069 28 C C 2.784 177.851 174.990 0.129 0.000 2.301 28 C CA 0.424 59.544 59.018 0.170 0.000 1.723 28 C CB -0.374 27.483 27.740 0.195 0.000 2.679 28 C HN 0.488 nan 8.230 nan 0.000 0.342 29 G N -0.392 108.484 108.800 0.126 0.000 2.529 29 G HA2 0.234 4.193 3.960 -0.001 0.000 0.219 29 G HA3 0.234 4.193 3.960 -0.001 0.000 0.219 29 G C 1.153 176.102 174.900 0.081 0.000 1.177 29 G CA 2.285 47.446 45.100 0.101 0.000 0.773 29 G HN 1.557 nan 8.290 nan 0.000 0.573 30 G N -0.124 108.724 108.800 0.081 0.000 2.475 30 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.198 30 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.198 30 G C 1.465 176.398 174.900 0.054 0.000 2.226 30 G CA 0.713 45.851 45.100 0.062 0.000 1.626 30 G HN 1.107 nan 8.290 nan 0.000 0.534 31 L N 0.294 121.547 121.223 0.050 0.000 2.046 31 L HA 0.298 4.638 4.340 -0.001 0.000 0.208 31 L C 2.097 178.993 176.870 0.042 0.000 1.077 31 L CA 2.631 57.502 54.840 0.052 0.000 0.747 31 L CB -0.852 41.237 42.059 0.050 0.000 0.896 31 L HN 0.599 nan 8.230 nan 0.000 0.432 32 S N -1.566 114.154 115.700 0.033 0.000 4.167 32 S HA 0.282 4.752 4.470 -0.001 0.000 0.194 32 S C -0.344 174.270 174.600 0.025 0.000 1.053 32 S CA -0.640 57.576 58.200 0.026 0.000 1.663 32 S CB -0.309 62.902 63.200 0.018 0.000 0.938 32 S HN 0.130 nan 8.310 nan 0.000 0.804 33 D N 3.285 123.695 120.400 0.017 0.000 2.425 33 D HA 0.335 4.974 4.640 -0.001 0.000 0.247 33 D C 0.039 176.348 176.300 0.014 0.000 1.147 33 D CA 0.118 54.126 54.000 0.013 0.000 0.879 33 D CB 0.439 41.242 40.800 0.006 0.000 1.179 33 D HN 0.411 nan 8.370 nan 0.000 0.456 34 R N 0.963 121.473 120.500 0.016 0.000 2.340 34 R HA 0.383 4.722 4.340 -0.001 0.000 0.300 34 R C -0.122 176.183 176.300 0.008 0.000 1.069 34 R CA -0.381 55.729 56.100 0.016 0.000 0.984 34 R CB 0.351 30.663 30.300 0.020 0.000 1.003 34 R HN 0.092 nan 8.270 nan 0.000 0.459 35 E N 2.362 122.565 120.200 0.004 0.000 2.351 35 E HA 0.406 4.755 4.350 -0.001 0.000 0.255 35 E C -0.173 176.424 176.600 -0.005 0.000 1.188 35 E CA -0.278 56.120 56.400 -0.005 0.000 0.940 35 E CB 0.689 30.381 29.700 -0.013 0.000 1.094 35 E HN 0.633 nan 8.360 nan 0.000 0.474 36 M N 0.268 119.862 119.600 -0.011 0.000 2.644 36 M HA 0.287 4.766 4.480 -0.001 0.000 0.304 36 M C 0.674 176.964 176.300 -0.017 0.000 1.215 36 M CA -0.516 54.778 55.300 -0.011 0.000 0.871 36 M CB 1.896 34.489 32.600 -0.012 0.000 1.740 36 M HN 0.405 nan 8.290 nan 0.000 0.464 37 E N 0.905 121.094 120.200 -0.018 0.000 2.110 37 E HA -0.162 4.187 4.350 -0.001 0.000 0.193 37 E C 1.815 178.398 176.600 -0.028 0.000 0.988 37 E CA 1.522 57.907 56.400 -0.025 0.000 0.804 37 E CB -0.018 29.666 29.700 -0.027 0.000 0.745 37 E HN 0.799 nan 8.360 nan 0.000 0.458 38 A N 1.374 124.180 122.820 -0.024 0.000 1.902 38 A HA -0.151 4.168 4.320 -0.001 0.000 0.217 38 A C 1.494 179.063 177.584 -0.026 0.000 1.181 38 A CA 0.981 53.004 52.037 -0.024 0.000 0.623 38 A CB -0.137 18.851 19.000 -0.020 0.000 0.818 38 A HN 0.119 nan 8.150 nan 0.000 0.443 39 Q N -0.427 119.358 119.800 -0.025 0.000 2.443 39 Q HA 0.249 4.588 4.340 -0.001 0.000 0.232 39 Q C -0.316 175.664 176.000 -0.034 0.000 1.026 39 Q CA -0.132 55.655 55.803 -0.027 0.000 0.924 39 Q CB 0.773 29.496 28.738 -0.024 0.000 1.256 39 Q HN 0.160 nan 8.270 nan 0.000 0.519 40 V N 3.611 123.502 119.914 -0.040 0.000 2.229 40 V HA -0.045 4.074 4.120 -0.001 0.000 0.245 40 V C 1.589 177.651 176.094 -0.053 0.000 1.243 40 V CA 0.353 62.623 62.300 -0.049 0.000 1.176 40 V CB -0.774 31.016 31.823 -0.056 0.000 1.323 40 V HN 0.677 nan 8.190 nan 0.000 0.499 41 L N 2.132 123.327 121.223 -0.046 0.000 2.005 41 L HA 0.029 4.368 4.340 -0.001 0.000 0.207 41 L C 1.098 177.932 176.870 -0.061 0.000 1.072 41 L CA 1.432 56.246 54.840 -0.043 0.000 0.744 41 L CB 0.221 42.263 42.059 -0.029 0.000 0.895 41 L HN 0.528 nan 8.230 nan 0.000 0.433 42 D N -0.425 119.934 120.400 -0.068 0.000 2.345 42 D HA 0.019 4.658 4.640 -0.001 0.000 0.247 42 D C 1.213 177.448 176.300 -0.109 0.000 1.108 42 D CA 0.669 54.615 54.000 -0.091 0.000 0.894 42 D CB 1.861 42.613 40.800 -0.081 0.000 1.203 42 D HN 0.282 nan 8.370 nan 0.000 0.430 43 S N 2.174 117.787 115.700 -0.146 0.000 2.362 43 S HA -0.070 4.399 4.470 -0.001 0.000 0.221 43 S C 1.172 175.690 174.600 -0.137 0.000 1.032 43 S CA 0.307 58.413 58.200 -0.157 0.000 0.973 43 S CB -0.011 63.056 63.200 -0.221 0.000 0.849 43 S HN 0.430 nan 8.310 nan 0.000 0.465 44 M N 2.185 121.701 119.600 -0.139 0.000 2.226 44 M HA 0.152 4.631 4.480 -0.001 0.000 0.324 44 M C 0.844 177.086 176.300 -0.096 0.000 1.112 44 M CA -0.216 55.013 55.300 -0.119 0.000 1.176 44 M CB 0.329 32.859 32.600 -0.117 0.000 1.430 44 M HN 0.101 nan 8.290 nan 0.000 0.462 45 D N 1.180 121.526 120.400 -0.089 0.000 2.144 45 D HA -0.092 4.547 4.640 -0.001 0.000 0.200 45 D C 1.903 178.159 176.300 -0.073 0.000 0.978 45 D CA 1.448 55.400 54.000 -0.081 0.000 0.833 45 D CB -0.138 40.609 40.800 -0.088 0.000 0.961 45 D HN 0.513 nan 8.370 nan 0.000 0.470 46 L N 0.650 121.830 121.223 -0.072 0.000 2.017 46 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 46 L C 2.333 179.168 176.870 -0.058 0.000 1.073 46 L CA 1.238 56.042 54.840 -0.060 0.000 0.745 46 L CB -0.444 41.582 42.059 -0.055 0.000 0.894 46 L HN -0.096 nan 8.230 nan 0.000 0.432 47 E N 0.104 120.264 120.200 -0.067 0.000 2.106 47 E HA -0.160 4.189 4.350 -0.001 0.000 0.192 47 E C 2.258 178.823 176.600 -0.059 0.000 0.984 47 E CA 0.959 57.320 56.400 -0.065 0.000 0.806 47 E CB -0.098 29.556 29.700 -0.077 0.000 0.750 47 E HN 0.338 nan 8.360 nan 0.000 0.458 48 R N 0.526 120.989 120.500 -0.062 0.000 2.070 48 R HA -0.111 4.228 4.340 -0.001 0.000 0.233 48 R C 2.380 178.650 176.300 -0.050 0.000 1.137 48 R CA 1.359 57.425 56.100 -0.057 0.000 0.945 48 R CB -0.271 29.994 30.300 -0.059 0.000 0.845 48 R HN 0.129 nan 8.270 nan 0.000 0.430 49 E N 0.732 120.902 120.200 -0.050 0.000 2.047 49 E HA -0.176 4.173 4.350 -0.001 0.000 0.191 49 E C 2.110 178.686 176.600 -0.040 0.000 0.987 49 E CA 0.897 57.271 56.400 -0.044 0.000 0.799 49 E CB 0.045 29.719 29.700 -0.044 0.000 0.752 49 E HN 0.066 nan 8.360 nan 0.000 0.449 50 R N 0.157 120.633 120.500 -0.041 0.000 2.115 50 R HA -0.109 4.230 4.340 -0.001 0.000 0.230 50 R C 1.126 177.401 176.300 -0.042 0.000 1.111 50 R CA 1.330 57.407 56.100 -0.038 0.000 0.976 50 R CB -0.577 29.703 30.300 -0.034 0.000 0.870 50 R HN 0.361 nan 8.270 nan 0.000 0.445 51 G N 0.938 109.711 108.800 -0.045 0.000 2.160 51 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.244 51 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.244 51 G C 0.058 174.926 174.900 -0.053 0.000 1.022 51 G CA 0.538 45.610 45.100 -0.047 0.000 0.741 51 G HN 0.438 nan 8.290 nan 0.000 0.508 52 I N 0.254 120.794 120.570 -0.051 0.000 2.934 52 I HA 0.635 4.805 4.170 -0.001 0.000 0.306 52 I C 0.241 176.331 176.117 -0.045 0.000 1.110 52 I CA -0.858 60.411 61.300 -0.051 0.000 1.019 52 I CB 1.833 39.807 38.000 -0.044 0.000 1.227 52 I HN 0.065 nan 8.210 nan 0.000 0.434 53 T N 6.301 120.832 114.554 -0.039 0.000 2.832 53 T HA 0.338 4.687 4.350 -0.001 0.000 0.296 53 T C 1.527 176.205 174.700 -0.038 0.000 0.968 53 T CA -0.502 61.572 62.100 -0.043 0.000 1.107 53 T CB 1.019 69.867 68.868 -0.034 0.000 0.916 53 T HN 0.357 nan 8.240 nan 0.000 0.517 54 I N 0.014 120.547 120.570 -0.062 0.000 2.235 54 I HA 0.132 4.301 4.170 -0.001 0.000 0.241 54 I C 0.902 176.935 176.117 -0.140 0.000 1.085 54 I CA 0.926 62.170 61.300 -0.093 0.000 1.378 54 I CB -0.285 37.641 38.000 -0.123 0.000 1.076 54 I HN 0.464 nan 8.210 nan 0.000 0.415 55 K N 0.422 120.746 120.400 -0.127 0.000 2.572 55 K HA 0.681 5.001 4.320 -0.001 0.000 0.263 55 K C -1.470 175.055 176.600 -0.125 0.000 0.932 55 K CA -0.204 56.006 56.287 -0.127 0.000 0.838 55 K CB 2.033 34.440 32.500 -0.156 0.000 1.366 55 K HN 0.141 nan 8.250 nan 0.000 0.425 56 A N 1.951 124.698 122.820 -0.121 0.000 2.858 56 A HA 0.459 4.778 4.320 -0.001 0.000 0.232 56 A C 0.529 177.987 177.584 -0.210 0.000 1.258 56 A CA -0.014 51.928 52.037 -0.157 0.000 0.909 56 A CB 0.749 19.670 19.000 -0.131 0.000 1.491 56 A HN 0.775 nan 8.150 nan 0.000 0.472 57 Q N -0.242 119.396 119.800 -0.270 0.000 2.062 57 Q HA 0.150 4.489 4.340 -0.001 0.000 0.196 57 Q C 0.230 176.027 176.000 -0.337 0.000 0.967 57 Q CA 1.651 57.230 55.803 -0.373 0.000 0.832 57 Q CB -0.019 28.422 28.738 -0.494 0.000 0.899 57 Q HN 1.837 nan 8.270 nan 0.000 0.442 58 S N -2.024 113.463 115.700 -0.355 0.000 3.218 58 S HA -0.081 4.388 4.470 -0.001 0.000 0.840 58 S C -0.970 173.350 174.600 -0.466 0.000 1.043 58 S CA 0.009 57.942 58.200 -0.446 0.000 1.212 58 S CB -0.985 62.061 63.200 -0.256 0.000 0.842 58 S HN 0.266 nan 8.310 nan 0.000 0.264 59 V N 2.510 122.031 119.914 -0.654 0.000 2.808 59 V HA 0.770 4.889 4.120 -0.001 0.000 0.308 59 V C 0.164 176.135 176.094 -0.205 0.000 1.099 59 V CA -0.285 61.774 62.300 -0.402 0.000 0.920 59 V CB 2.340 33.887 31.823 -0.460 0.000 1.014 59 V HN 1.151 nan 8.190 nan 0.000 0.425 60 T N 5.813 120.376 114.554 0.015 0.000 2.770 60 T HA 0.786 5.135 4.350 -0.001 0.000 0.283 60 T C -0.497 174.276 174.700 0.122 0.000 0.988 60 T CA -0.243 61.906 62.100 0.081 0.000 0.957 60 T CB 0.804 69.736 68.868 0.106 0.000 0.930 60 T HN 0.398 nan 8.240 nan 0.000 0.443 61 L N 2.101 123.419 121.223 0.159 0.000 2.309 61 L HA 0.670 5.009 4.340 -0.001 0.000 0.261 61 L C -0.761 176.224 176.870 0.192 0.000 1.021 61 L CA -1.238 53.710 54.840 0.180 0.000 0.823 61 L CB 1.984 44.173 42.059 0.217 0.000 1.366 61 L HN 0.412 nan 8.230 nan 0.000 0.423 62 D N 0.418 120.928 120.400 0.184 0.000 2.408 62 D HA 0.322 4.961 4.640 -0.001 0.000 0.243 62 D C -1.574 174.874 176.300 0.248 0.000 1.075 62 D CA -0.028 54.083 54.000 0.184 0.000 0.832 62 D CB 1.914 42.781 40.800 0.111 0.000 1.162 62 D HN 0.253 nan 8.370 nan 0.000 0.515 63 Y N 1.738 122.127 120.300 0.148 0.000 2.326 63 Y HA 0.302 4.851 4.550 -0.001 0.000 0.331 63 Y C -0.356 175.647 175.900 0.171 0.000 0.962 63 Y CA -0.878 57.310 58.100 0.146 0.000 1.167 63 Y CB 0.995 39.543 38.460 0.145 0.000 1.148 63 Y HN 0.053 nan 8.280 nan 0.000 0.463 64 K N 5.055 125.187 120.400 -0.447 0.000 2.378 64 K HA 0.536 4.855 4.320 -0.001 0.000 0.288 64 K C -0.155 175.909 176.600 -0.894 0.000 1.057 64 K CA -0.005 56.012 56.287 -0.450 0.000 0.971 64 K CB 0.505 32.851 32.500 -0.257 0.000 0.975 64 K HN 0.762 nan 8.250 nan 0.000 0.475 65 A N 1.728 124.307 122.820 -0.402 0.000 2.246 65 A HA 0.157 4.476 4.320 -0.001 0.000 0.291 65 A C 1.211 178.755 177.584 -0.066 0.000 1.103 65 A CA -0.173 51.750 52.037 -0.190 0.000 0.844 65 A CB 0.561 19.693 19.000 0.220 0.000 1.136 65 A HN 0.810 nan 8.150 nan 0.000 0.500 66 S N -0.349 115.367 115.700 0.026 0.000 2.469 66 S HA -0.163 4.306 4.470 -0.001 0.000 0.238 66 S C 0.920 175.537 174.600 0.028 0.000 0.998 66 S CA 1.517 59.732 58.200 0.025 0.000 0.957 66 S CB -0.512 62.715 63.200 0.045 0.000 0.764 66 S HN 0.810 nan 8.310 nan 0.000 0.514 67 D N 0.671 121.104 120.400 0.056 0.000 2.363 67 D HA 0.191 4.830 4.640 -0.001 0.000 0.220 67 D C 1.453 177.771 176.300 0.030 0.000 0.994 67 D CA 0.713 54.746 54.000 0.056 0.000 0.890 67 D CB -0.882 39.977 40.800 0.099 0.000 0.906 67 D HN 0.641 nan 8.370 nan 0.000 0.530 68 G N -0.193 108.611 108.800 0.008 0.000 2.157 68 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.239 68 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.239 68 G C -0.060 174.810 174.900 -0.050 0.000 0.982 68 G CA 0.158 45.242 45.100 -0.026 0.000 0.650 68 G HN 0.533 nan 8.290 nan 0.000 0.527 69 E N -0.066 120.106 120.200 -0.046 0.000 2.222 69 E HA 0.660 5.009 4.350 -0.001 0.000 0.267 69 E C -0.302 176.156 176.600 -0.236 0.000 0.963 69 E CA -0.426 55.877 56.400 -0.162 0.000 0.837 69 E CB 1.131 30.690 29.700 -0.234 0.000 1.183 69 E HN 0.065 nan 8.360 nan 0.000 0.403 70 T N 2.427 116.794 114.554 -0.311 0.000 2.767 70 T HA 0.327 4.676 4.350 -0.001 0.000 0.284 70 T C -1.258 173.249 174.700 -0.322 0.000 0.973 70 T CA -0.235 61.738 62.100 -0.212 0.000 0.996 70 T CB 0.072 68.874 68.868 -0.109 0.000 0.927 70 T HN 0.245 nan 8.240 nan 0.000 0.456 71 Y N 1.980 122.320 120.300 0.068 0.000 2.335 71 Y HA 0.341 4.890 4.550 -0.002 0.000 0.338 71 Y C 0.700 176.686 175.900 0.143 0.000 0.977 71 Y CA -0.917 57.253 58.100 0.117 0.000 1.114 71 Y CB 1.347 39.907 38.460 0.167 0.000 1.182 71 Y HN 0.494 nan 8.280 nan 0.000 0.463 72 Q N 4.739 124.681 119.800 0.236 0.000 2.324 72 Q HA 0.291 4.630 4.340 -0.001 0.000 0.257 72 Q C -1.320 174.830 176.000 0.250 0.000 1.080 72 Q CA -0.201 55.720 55.803 0.198 0.000 0.907 72 Q CB 0.316 29.128 28.738 0.124 0.000 1.274 72 Q HN 0.693 nan 8.270 nan 0.000 0.434 73 L N 4.682 126.074 121.223 0.281 0.000 2.257 73 L HA 0.393 4.732 4.340 -0.001 0.000 0.290 73 L C -0.131 176.901 176.870 0.270 0.000 1.044 73 L CA -0.483 54.568 54.840 0.352 0.000 0.810 73 L CB 0.745 43.063 42.059 0.432 0.000 1.193 73 L HN 0.532 nan 8.230 nan 0.000 0.425 74 N N 5.013 123.840 118.700 0.213 0.000 2.476 74 N HA 0.385 5.124 4.740 -0.001 0.000 0.257 74 N C -1.048 174.412 175.510 -0.083 0.000 0.970 74 N CA -0.268 52.819 53.050 0.062 0.000 0.938 74 N CB 2.050 40.572 38.487 0.059 0.000 1.144 74 N HN 0.411 nan 8.380 nan 0.000 0.500 75 F N 1.230 120.969 119.950 -0.352 0.000 2.532 75 F HA 0.729 5.255 4.527 -0.002 0.000 0.321 75 F C -1.130 174.464 175.800 -0.343 0.000 1.089 75 F CA -1.045 56.551 58.000 -0.674 0.000 0.926 75 F CB 0.920 39.093 39.000 -1.378 0.000 1.168 75 F HN 0.103 nan 8.300 nan 0.000 0.459 76 I N 2.980 123.484 120.570 -0.110 0.000 2.441 76 I HA 0.246 4.415 4.170 -0.001 0.000 0.295 76 I C -0.514 175.653 176.117 0.083 0.000 0.994 76 I CA -0.469 60.776 61.300 -0.093 0.000 1.144 76 I CB 1.392 39.361 38.000 -0.052 0.000 1.314 76 I HN 0.593 nan 8.210 nan 0.000 0.445 77 D N 3.965 124.379 120.400 0.023 0.000 2.312 77 D HA 0.167 4.806 4.640 -0.001 0.000 0.252 77 D C -0.736 175.585 176.300 0.035 0.000 1.150 77 D CA 0.000 54.052 54.000 0.085 0.000 0.870 77 D CB 1.015 41.842 40.800 0.045 0.000 1.153 77 D HN 0.435 nan 8.370 nan 0.000 0.457 78 T N 6.210 120.796 114.554 0.053 0.000 2.738 78 T HA 0.321 4.670 4.350 -0.001 0.000 0.298 78 T C -2.154 172.575 174.700 0.048 0.000 0.962 78 T CA -1.319 60.807 62.100 0.043 0.000 0.972 78 T CB 1.403 70.302 68.868 0.051 0.000 0.928 78 T HN 0.298 nan 8.240 nan 0.000 0.474 79 P HA 0.162 nan 4.420 nan 0.000 0.268 79 P C 0.501 177.889 177.300 0.146 0.000 1.205 79 P CA -0.188 62.955 63.100 0.072 0.000 0.771 79 P CB 0.589 32.300 31.700 0.019 0.000 0.858 80 G N 1.039 109.939 108.800 0.168 0.000 3.882 80 G HA2 0.205 4.164 3.960 -0.001 0.000 0.283 80 G HA3 0.205 4.164 3.960 -0.001 0.000 0.283 80 G C -0.243 174.775 174.900 0.197 0.000 1.283 80 G CA 0.138 45.328 45.100 0.152 0.000 1.402 80 G HN 0.611 nan 8.290 nan 0.000 0.618 81 H N -1.327 117.855 119.070 0.187 0.000 3.008 81 H HA 0.364 4.919 4.556 -0.001 0.000 0.354 81 H C 0.649 176.031 175.328 0.089 0.000 1.252 81 H CA -0.671 55.451 56.048 0.124 0.000 1.117 81 H CB 2.312 32.134 29.762 0.099 0.000 1.857 81 H HN 0.042 nan 8.280 nan 0.000 0.547 82 V N -1.050 118.947 119.914 0.138 0.000 3.647 82 V HA 0.142 4.261 4.120 -0.001 0.000 0.279 82 V C 0.938 177.090 176.094 0.097 0.000 1.314 82 V CA 0.623 62.998 62.300 0.126 0.000 1.125 82 V CB 0.261 32.121 31.823 0.061 0.000 0.907 82 V HN 0.606 nan 8.190 nan 0.000 0.434 83 D N 2.031 122.454 120.400 0.038 0.000 2.144 83 D HA -0.031 4.608 4.640 -0.001 0.000 0.200 83 D C 1.037 177.067 176.300 -0.450 0.000 0.978 83 D CA 1.577 55.344 54.000 -0.388 0.000 0.833 83 D CB -0.242 40.133 40.800 -0.710 0.000 0.961 83 D HN 0.673 nan 8.370 nan 0.000 0.470 84 F N -0.122 119.880 119.950 0.087 0.000 2.898 84 F HA 0.293 4.819 4.527 -0.002 0.000 0.290 84 F C 1.978 177.823 175.800 0.074 0.000 1.195 84 F CA -0.438 57.593 58.000 0.051 0.000 1.387 84 F CB -0.012 39.023 39.000 0.060 0.000 0.976 84 F HN -0.229 nan 8.300 nan 0.000 0.510 85 S N 0.645 116.431 115.700 0.143 0.000 2.365 85 S HA -0.312 4.157 4.470 -0.001 0.000 0.225 85 S C 2.167 176.854 174.600 0.144 0.000 1.039 85 S CA 1.806 60.080 58.200 0.123 0.000 1.033 85 S CB -0.394 62.852 63.200 0.077 0.000 0.887 85 S HN 0.608 nan 8.310 nan 0.000 0.447 86 Y N 2.003 122.326 120.300 0.038 0.000 2.114 86 Y HA -0.094 4.456 4.550 -0.002 0.000 0.284 86 Y C 2.240 178.170 175.900 0.050 0.000 1.143 86 Y CA 2.261 60.377 58.100 0.027 0.000 1.135 86 Y CB -0.766 37.692 38.460 -0.004 0.000 0.980 86 Y HN 0.384 nan 8.280 nan 0.000 0.499 87 E N -0.601 119.614 120.200 0.023 0.000 2.097 87 E HA -0.238 4.111 4.350 -0.001 0.000 0.196 87 E C 2.266 178.827 176.600 -0.065 0.000 1.000 87 E CA 1.842 58.207 56.400 -0.057 0.000 0.804 87 E CB -0.413 29.337 29.700 0.082 0.000 0.740 87 E HN 0.369 nan 8.360 nan 0.000 0.454 88 V N 1.567 121.495 119.914 0.025 0.000 2.255 88 V HA -0.307 3.812 4.120 -0.001 0.000 0.247 88 V C 2.665 178.746 176.094 -0.022 0.000 1.051 88 V CA 2.141 64.457 62.300 0.027 0.000 1.018 88 V CB -0.770 31.101 31.823 0.080 0.000 0.641 88 V HN 0.404 nan 8.190 nan 0.000 0.445 89 S N 0.392 116.064 115.700 -0.047 0.000 2.383 89 S HA -0.244 4.225 4.470 -0.001 0.000 0.229 89 S C 2.050 176.587 174.600 -0.106 0.000 1.030 89 S CA 1.142 59.308 58.200 -0.057 0.000 1.002 89 S CB -0.444 62.733 63.200 -0.038 0.000 0.829 89 S HN 0.469 nan 8.310 nan 0.000 0.467 90 R N 1.282 121.653 120.500 -0.216 0.000 2.115 90 R HA 0.193 4.532 4.340 -0.001 0.000 0.230 90 R C 2.625 178.873 176.300 -0.086 0.000 1.111 90 R CA 1.179 57.159 56.100 -0.199 0.000 0.976 90 R CB -1.573 28.523 30.300 -0.340 0.000 0.870 90 R HN 0.514 nan 8.270 nan 0.000 0.445 91 S N 1.178 116.840 115.700 -0.064 0.000 2.371 91 S HA 0.031 4.500 4.470 -0.001 0.000 0.224 91 S C 2.049 176.647 174.600 -0.003 0.000 1.029 91 S CA 0.732 58.918 58.200 -0.023 0.000 0.978 91 S CB -0.076 63.115 63.200 -0.015 0.000 0.833 91 S HN 0.168 nan 8.310 nan 0.000 0.466 92 L N 1.161 122.384 121.223 -0.000 0.000 2.141 92 L HA -0.046 4.293 4.340 -0.001 0.000 0.209 92 L C 2.589 179.472 176.870 0.021 0.000 1.094 92 L CA 0.977 55.829 54.840 0.020 0.000 0.763 92 L CB -0.561 41.512 42.059 0.023 0.000 0.908 92 L HN 0.288 nan 8.230 nan 0.000 0.437 93 A N 0.001 122.824 122.820 0.005 0.000 2.125 93 A HA -0.061 4.258 4.320 -0.001 0.000 0.219 93 A C 2.228 179.825 177.584 0.022 0.000 1.156 93 A CA 1.520 53.564 52.037 0.011 0.000 0.671 93 A CB -0.479 18.519 19.000 -0.003 0.000 0.794 93 A HN 0.393 nan 8.150 nan 0.000 0.459 94 A N -2.017 120.816 122.820 0.022 0.000 2.308 94 A HA 0.410 4.729 4.320 -0.001 0.000 0.217 94 A C 0.631 178.241 177.584 0.043 0.000 1.216 94 A CA 0.303 52.357 52.037 0.030 0.000 0.864 94 A CB -0.486 18.527 19.000 0.022 0.000 0.902 94 A HN 0.472 nan 8.150 nan 0.000 0.499 95 C N -2.039 117.292 119.300 0.052 0.000 2.595 95 C HA 0.641 5.100 4.460 -0.001 0.000 0.338 95 C C 1.097 176.135 174.990 0.079 0.000 1.219 95 C CA -0.372 58.693 59.018 0.078 0.000 1.811 95 C CB 1.700 29.495 27.740 0.093 0.000 2.313 95 C HN 0.580 nan 8.230 nan 0.000 0.499 96 E N -0.127 120.133 120.200 0.099 0.000 2.447 96 E HA 0.348 4.697 4.350 -0.001 0.000 0.204 96 E C 0.743 177.388 176.600 0.076 0.000 0.977 96 E CA 0.423 56.870 56.400 0.079 0.000 0.950 96 E CB 0.690 30.435 29.700 0.076 0.000 0.975 96 E HN 0.890 nan 8.360 nan 0.000 0.496 97 G N -0.773 108.091 108.800 0.107 0.000 2.663 97 G HA2 0.760 4.719 3.960 -0.001 0.000 0.299 97 G HA3 0.760 4.719 3.960 -0.001 0.000 0.299 97 G C -1.535 173.449 174.900 0.140 0.000 1.372 97 G CA -0.221 44.933 45.100 0.090 0.000 0.781 97 G HN 0.120 nan 8.290 nan 0.000 0.491 98 A N -0.869 122.012 122.820 0.102 0.000 2.594 98 A HA 0.771 5.090 4.320 -0.001 0.000 0.295 98 A C -1.276 176.344 177.584 0.060 0.000 1.071 98 A CA -0.576 51.540 52.037 0.131 0.000 0.685 98 A CB 1.189 20.243 19.000 0.089 0.000 1.285 98 A HN 0.821 nan 8.150 nan 0.000 0.405 99 L N 1.071 122.343 121.223 0.082 0.000 2.307 99 L HA 0.543 4.882 4.340 -0.001 0.000 0.282 99 L C -0.677 176.180 176.870 -0.022 0.000 1.051 99 L CA -0.725 54.107 54.840 -0.012 0.000 0.804 99 L CB 1.525 43.563 42.059 -0.034 0.000 1.197 99 L HN 0.633 nan 8.230 nan 0.000 0.431 100 L N 4.528 125.717 121.223 -0.057 0.000 2.335 100 L HA 0.344 4.683 4.340 -0.001 0.000 0.268 100 L C -0.440 176.353 176.870 -0.128 0.000 1.037 100 L CA -0.246 54.547 54.840 -0.079 0.000 0.895 100 L CB 1.124 43.140 42.059 -0.072 0.000 1.266 100 L HN 0.264 nan 8.230 nan 0.000 0.439 101 V N 5.422 125.249 119.914 -0.145 0.000 2.415 101 V HA 0.245 4.364 4.120 -0.001 0.000 0.267 101 V C 0.128 175.961 176.094 -0.435 0.000 1.042 101 V CA -0.258 61.925 62.300 -0.195 0.000 1.000 101 V CB 0.781 32.532 31.823 -0.119 0.000 1.015 101 V HN 0.415 nan 8.190 nan 0.000 0.478 102 V N 4.016 123.693 119.914 -0.394 0.000 2.487 102 V HA 0.343 4.462 4.120 -0.001 0.000 0.298 102 V C 0.035 176.002 176.094 -0.213 0.000 1.028 102 V CA -0.830 61.138 62.300 -0.552 0.000 0.860 102 V CB 1.934 33.597 31.823 -0.266 0.000 0.991 102 V HN 0.795 nan 8.190 nan 0.000 0.427 103 D N 3.127 123.553 120.400 0.043 0.000 2.450 103 D HA 0.183 4.822 4.640 -0.001 0.000 0.247 103 D C 0.979 177.334 176.300 0.093 0.000 1.162 103 D CA 0.494 54.605 54.000 0.185 0.000 0.879 103 D CB 2.025 43.032 40.800 0.346 0.000 1.163 103 D HN 0.691 nan 8.370 nan 0.000 0.472 104 A N 3.207 126.056 122.820 0.048 0.000 2.119 104 A HA 0.056 4.375 4.320 -0.001 0.000 0.217 104 A C 1.814 179.421 177.584 0.038 0.000 1.153 104 A CA 1.269 53.324 52.037 0.030 0.000 0.692 104 A CB 0.032 19.040 19.000 0.013 0.000 0.799 104 A HN 0.610 nan 8.150 nan 0.000 0.458 105 G N -2.223 106.607 108.800 0.050 0.000 2.887 105 G HA2 0.140 4.099 3.960 -0.001 0.000 0.211 105 G HA3 0.140 4.099 3.960 -0.001 0.000 0.211 105 G C 1.461 176.391 174.900 0.050 0.000 1.152 105 G CA 0.287 45.412 45.100 0.043 0.000 0.769 105 G HN 0.362 nan 8.290 nan 0.000 0.541 106 Q N -0.446 119.399 119.800 0.074 0.000 2.581 106 Q HA 0.325 4.665 4.340 -0.001 0.000 0.222 106 Q C 1.167 177.215 176.000 0.080 0.000 0.904 106 Q CA 1.035 56.881 55.803 0.072 0.000 0.923 106 Q CB 0.866 29.648 28.738 0.074 0.000 1.117 106 Q HN 0.463 nan 8.270 nan 0.000 0.618 107 G N 0.687 109.556 108.800 0.116 0.000 2.661 107 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.685 107 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.685 107 G C -0.626 174.378 174.900 0.173 0.000 1.298 107 G CA -0.257 44.907 45.100 0.108 0.000 0.855 107 G HN 0.198 nan 8.290 nan 0.000 0.560 108 V N 1.125 121.118 119.914 0.132 0.000 3.185 108 V HA 0.631 4.750 4.120 -0.001 0.000 0.305 108 V C 0.677 176.853 176.094 0.137 0.000 1.090 108 V CA 1.009 63.397 62.300 0.147 0.000 1.107 108 V CB 1.222 33.089 31.823 0.075 0.000 1.061 108 V HN 1.104 nan 8.190 nan 0.000 0.480 109 E N 3.289 123.549 120.200 0.100 0.000 2.408 109 E HA 0.572 4.921 4.350 -0.001 0.000 0.275 109 E C 0.142 176.691 176.600 -0.085 0.000 0.935 109 E CA -0.321 56.114 56.400 0.059 0.000 0.775 109 E CB 1.844 31.416 29.700 -0.214 0.000 1.277 109 E HN 0.561 nan 8.360 nan 0.000 0.455 110 A N 1.034 123.554 122.820 -0.499 0.000 2.067 110 A HA -0.200 4.119 4.320 -0.001 0.000 0.219 110 A C 1.983 179.327 177.584 -0.400 0.000 1.158 110 A CA 1.564 53.269 52.037 -0.554 0.000 0.661 110 A CB -0.533 17.487 19.000 -1.633 0.000 0.801 110 A HN 0.615 nan 8.150 nan 0.000 0.452 111 Q N -0.096 119.463 119.800 -0.401 0.000 2.311 111 Q HA -0.091 4.248 4.340 -0.001 0.000 0.203 111 Q C 1.502 177.417 176.000 -0.142 0.000 0.954 111 Q CA 1.776 57.422 55.803 -0.261 0.000 0.885 111 Q CB -1.437 27.181 28.738 -0.199 0.000 0.963 111 Q HN 0.621 nan 8.270 nan 0.000 0.471 112 T N -2.397 112.089 114.554 -0.114 0.000 3.129 112 T HA 0.262 4.612 4.350 -0.001 0.000 0.251 112 T C 1.704 176.313 174.700 -0.151 0.000 1.117 112 T CA -0.124 61.942 62.100 -0.057 0.000 1.034 112 T CB -0.048 68.851 68.868 0.051 0.000 0.968 112 T HN 0.159 nan 8.240 nan 0.000 0.526 113 L N 0.139 121.222 121.223 -0.234 0.000 2.200 113 L HA 0.376 4.715 4.340 -0.001 0.000 0.200 113 L C 3.188 179.670 176.870 -0.648 0.000 1.072 113 L CA 0.834 55.374 54.840 -0.500 0.000 0.787 113 L CB -0.606 41.225 42.059 -0.380 0.000 0.957 113 L HN 0.337 nan 8.230 nan 0.000 0.459 114 A N 0.483 123.149 122.820 -0.257 0.000 1.902 114 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 114 A C 1.930 179.499 177.584 -0.024 0.000 1.181 114 A CA 1.906 53.921 52.037 -0.037 0.000 0.623 114 A CB -0.561 18.442 19.000 0.004 0.000 0.818 114 A HN 0.401 nan 8.150 nan 0.000 0.443 115 N N -0.694 117.969 118.700 -0.062 0.000 2.244 115 N HA -0.122 4.617 4.740 -0.001 0.000 0.183 115 N C 1.603 177.094 175.510 -0.031 0.000 1.016 115 N CA 1.299 54.337 53.050 -0.020 0.000 0.866 115 N CB -0.880 37.603 38.487 -0.007 0.000 0.980 115 N HN 0.560 nan 8.380 nan 0.000 0.430 116 C N -0.135 119.095 119.300 -0.117 0.000 2.457 116 C HA 0.014 4.473 4.460 -0.001 0.000 0.278 116 C C 2.341 177.315 174.990 -0.026 0.000 1.309 116 C CA 0.161 59.110 59.018 -0.114 0.000 1.735 116 C CB -1.197 26.415 27.740 -0.213 0.000 1.992 116 C HN 0.470 nan 8.230 nan 0.000 0.493 117 Y N 1.311 121.624 120.300 0.021 0.000 2.145 117 Y HA -0.190 4.359 4.550 -0.002 0.000 0.286 117 Y C 2.944 178.854 175.900 0.016 0.000 1.145 117 Y CA 1.644 59.755 58.100 0.018 0.000 1.148 117 Y CB -0.700 37.771 38.460 0.018 0.000 0.981 117 Y HN 0.449 nan 8.280 nan 0.000 0.507 118 T N -1.797 112.859 114.554 0.170 0.000 2.833 118 T HA -0.152 4.198 4.350 -0.001 0.000 0.269 118 T C 1.984 176.730 174.700 0.075 0.000 1.054 118 T CA 0.848 63.010 62.100 0.103 0.000 1.135 118 T CB -0.599 68.316 68.868 0.078 0.000 0.869 118 T HN 0.341 nan 8.240 nan 0.000 0.466 119 A N 1.842 124.702 122.820 0.067 0.000 1.933 119 A HA 0.081 4.401 4.320 -0.001 0.000 0.218 119 A C 2.442 180.061 177.584 0.059 0.000 1.175 119 A CA 1.656 53.726 52.037 0.054 0.000 0.628 119 A CB -0.747 18.277 19.000 0.041 0.000 0.814 119 A HN 0.594 nan 8.150 nan 0.000 0.444 120 M N -1.239 118.407 119.600 0.077 0.000 2.334 120 M HA -0.044 4.435 4.480 -0.001 0.000 0.266 120 M C 1.868 178.203 176.300 0.058 0.000 1.082 120 M CA 1.104 56.446 55.300 0.071 0.000 1.141 120 M CB -0.343 32.314 32.600 0.095 0.000 1.380 120 M HN 0.417 nan 8.290 nan 0.000 0.440 121 E N 0.822 121.060 120.200 0.064 0.000 2.110 121 E HA -0.062 4.287 4.350 -0.001 0.000 0.193 121 E C 0.380 177.003 176.600 0.037 0.000 0.988 121 E CA 0.718 57.145 56.400 0.045 0.000 0.804 121 E CB -0.054 29.674 29.700 0.047 0.000 0.745 121 E HN 0.496 nan 8.360 nan 0.000 0.458 122 M N 1.239 120.863 119.600 0.041 0.000 2.249 122 M HA 0.110 4.589 4.480 -0.001 0.000 0.351 122 M C -0.072 176.250 176.300 0.036 0.000 1.180 122 M CA -0.106 55.216 55.300 0.036 0.000 1.127 122 M CB 0.933 33.555 32.600 0.036 0.000 1.546 122 M HN -0.224 nan 8.290 nan 0.000 0.461 123 D N 4.265 124.684 120.400 0.032 0.000 2.662 123 D HA 0.205 4.845 4.640 -0.001 0.000 0.228 123 D C -0.698 175.622 176.300 0.033 0.000 1.093 123 D CA 0.415 54.433 54.000 0.030 0.000 1.075 123 D CB -0.154 40.661 40.800 0.026 0.000 1.122 123 D HN 0.413 nan 8.370 nan 0.000 0.475 124 L N 0.914 122.159 121.223 0.037 0.000 2.325 124 L HA 0.290 4.629 4.340 -0.001 0.000 0.278 124 L C 0.876 177.765 176.870 0.032 0.000 1.023 124 L CA -0.913 53.951 54.840 0.040 0.000 0.811 124 L CB 1.841 43.929 42.059 0.049 0.000 1.249 124 L HN -0.140 nan 8.230 nan 0.000 0.431 125 E N 2.432 122.648 120.200 0.026 0.000 2.299 125 E HA 0.160 4.509 4.350 -0.001 0.000 0.272 125 E C -0.888 175.716 176.600 0.006 0.000 1.043 125 E CA -0.138 56.267 56.400 0.010 0.000 0.895 125 E CB 1.690 31.388 29.700 -0.004 0.000 1.011 125 E HN 0.218 nan 8.360 nan 0.000 0.432 126 V N 4.565 124.481 119.914 0.002 0.000 2.318 126 V HA 0.138 4.257 4.120 -0.001 0.000 0.271 126 V C 0.303 176.381 176.094 -0.027 0.000 1.030 126 V CA -0.784 61.514 62.300 -0.004 0.000 0.844 126 V CB 1.302 33.129 31.823 0.007 0.000 1.015 126 V HN 0.310 nan 8.190 nan 0.000 0.460 127 V N 8.490 128.375 119.914 -0.049 0.000 2.432 127 V HA 0.277 4.396 4.120 -0.001 0.000 0.271 127 V C -1.832 174.218 176.094 -0.072 0.000 1.046 127 V CA -1.587 60.668 62.300 -0.074 0.000 0.945 127 V CB 1.391 33.142 31.823 -0.120 0.000 0.992 127 V HN 0.712 nan 8.190 nan 0.000 0.471 128 P HA 0.249 nan 4.420 nan 0.000 0.276 128 P C -0.896 176.357 177.300 -0.079 0.000 1.235 128 P CA -0.039 63.022 63.100 -0.065 0.000 0.772 128 P CB 1.323 32.994 31.700 -0.048 0.000 0.871 129 V N 5.157 125.016 119.914 -0.091 0.000 2.525 129 V HA 0.278 4.397 4.120 -0.001 0.000 0.299 129 V C 0.274 176.313 176.094 -0.092 0.000 1.034 129 V CA -0.651 61.593 62.300 -0.093 0.000 0.863 129 V CB 1.774 33.533 31.823 -0.106 0.000 0.999 129 V HN 0.367 nan 8.190 nan 0.000 0.423 130 L N 4.983 126.164 121.223 -0.070 0.000 2.261 130 L HA 0.472 4.811 4.340 -0.001 0.000 0.289 130 L C 0.446 177.288 176.870 -0.047 0.000 1.059 130 L CA 0.179 54.985 54.840 -0.057 0.000 0.816 130 L CB 0.493 42.529 42.059 -0.038 0.000 1.191 130 L HN 0.670 nan 8.230 nan 0.000 0.431 131 N N 3.047 121.720 118.700 -0.044 0.000 2.472 131 N HA 0.221 4.960 4.740 -0.001 0.000 0.289 131 N C -0.458 175.053 175.510 0.002 0.000 1.156 131 N CA -0.688 52.347 53.050 -0.024 0.000 0.940 131 N CB 0.849 39.323 38.487 -0.022 0.000 1.200 131 N HN 0.487 nan 8.380 nan 0.000 0.511 132 K N 1.203 121.606 120.400 0.005 0.000 3.150 132 K HA -0.165 4.154 4.320 -0.001 0.000 0.267 132 K C 0.887 177.494 176.600 0.011 0.000 1.028 132 K CA 0.262 56.557 56.287 0.013 0.000 0.753 132 K CB -1.667 30.850 32.500 0.028 0.000 1.288 132 K HN 0.508 nan 8.250 nan 0.000 0.473 133 I N -2.821 117.751 120.570 0.003 0.000 2.830 133 I HA -0.100 4.069 4.170 -0.001 0.000 0.263 133 I C 1.537 177.656 176.117 0.003 0.000 1.230 133 I CA 0.976 62.278 61.300 0.002 0.000 1.480 133 I CB -0.092 37.906 38.000 -0.004 0.000 1.095 133 I HN 0.006 nan 8.210 nan 0.000 0.455 134 D N 1.487 121.889 120.400 0.003 0.000 2.219 134 D HA 0.050 4.689 4.640 -0.001 0.000 0.205 134 D C 1.096 177.399 176.300 0.005 0.000 0.970 134 D CA 0.702 54.703 54.000 0.003 0.000 0.851 134 D CB -0.136 40.666 40.800 0.003 0.000 0.943 134 D HN 0.330 nan 8.370 nan 0.000 0.488 135 L N 1.986 123.214 121.223 0.008 0.000 2.514 135 L HA 0.007 4.346 4.340 -0.001 0.000 0.280 135 L C -0.841 176.035 176.870 0.009 0.000 1.223 135 L CA -0.985 53.861 54.840 0.009 0.000 0.864 135 L CB 0.216 42.283 42.059 0.014 0.000 1.118 135 L HN -0.022 nan 8.230 nan 0.000 0.494 136 P HA -0.162 nan 4.420 nan 0.000 0.218 136 P C 0.779 178.084 177.300 0.008 0.000 1.149 136 P CA 1.178 64.282 63.100 0.007 0.000 0.817 136 P CB 0.225 31.929 31.700 0.006 0.000 0.785 137 A N -0.611 122.215 122.820 0.011 0.000 2.302 137 A HA 0.447 4.766 4.320 -0.001 0.000 0.219 137 A C 1.194 178.787 177.584 0.015 0.000 1.243 137 A CA 0.020 52.064 52.037 0.013 0.000 0.856 137 A CB -0.835 18.174 19.000 0.014 0.000 0.893 137 A HN 0.239 nan 8.150 nan 0.000 0.491 138 A N 0.320 123.148 122.820 0.014 0.000 2.409 138 A HA 0.449 4.768 4.320 -0.001 0.000 0.267 138 A C -0.393 177.198 177.584 0.012 0.000 1.127 138 A CA -0.090 51.956 52.037 0.015 0.000 0.795 138 A CB 0.079 19.087 19.000 0.013 0.000 1.061 138 A HN 0.173 nan 8.150 nan 0.000 0.502 139 D N 3.653 124.061 120.400 0.013 0.000 2.412 139 D HA 0.369 5.008 4.640 -0.001 0.000 0.276 139 D C -2.026 174.279 176.300 0.008 0.000 1.196 139 D CA -1.728 52.278 54.000 0.010 0.000 0.905 139 D CB 1.314 42.121 40.800 0.011 0.000 1.081 139 D HN 0.150 nan 8.370 nan 0.000 0.502 140 P HA -0.090 nan 4.420 nan 0.000 0.214 140 P C 1.073 178.372 177.300 -0.001 0.000 1.162 140 P CA 0.972 64.072 63.100 -0.000 0.000 0.879 140 P CB 0.655 32.353 31.700 -0.004 0.000 0.786 141 E N -0.709 119.491 120.200 -0.000 0.000 2.097 141 E HA -0.199 4.150 4.350 -0.001 0.000 0.196 141 E C 2.233 178.834 176.600 0.002 0.000 1.000 141 E CA 1.071 57.470 56.400 -0.000 0.000 0.804 141 E CB -0.538 29.162 29.700 -0.000 0.000 0.740 141 E HN 0.067 nan 8.360 nan 0.000 0.454 142 R N 0.306 120.809 120.500 0.004 0.000 2.073 142 R HA -0.064 4.275 4.340 -0.001 0.000 0.229 142 R C 2.080 178.386 176.300 0.009 0.000 1.120 142 R CA 1.154 57.258 56.100 0.007 0.000 0.967 142 R CB -0.269 30.037 30.300 0.008 0.000 0.862 142 R HN 0.140 nan 8.270 nan 0.000 0.436 143 V N 1.356 121.276 119.914 0.010 0.000 2.515 143 V HA -0.200 3.919 4.120 -0.001 0.000 0.250 143 V C 2.561 178.658 176.094 0.005 0.000 1.058 143 V CA 1.682 63.989 62.300 0.012 0.000 1.064 143 V CB -0.727 31.104 31.823 0.014 0.000 0.675 143 V HN 0.441 nan 8.190 nan 0.000 0.461 144 A N -0.278 122.542 122.820 -0.000 0.000 1.908 144 A HA -0.277 4.042 4.320 -0.001 0.000 0.218 144 A C 2.199 179.785 177.584 0.002 0.000 1.181 144 A CA 2.050 54.084 52.037 -0.004 0.000 0.627 144 A CB -0.468 18.529 19.000 -0.006 0.000 0.818 144 A HN 0.616 nan 8.150 nan 0.000 0.445 145 E N -0.563 119.640 120.200 0.005 0.000 2.110 145 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 145 E C 2.054 178.663 176.600 0.014 0.000 0.988 145 E CA 1.176 57.581 56.400 0.009 0.000 0.804 145 E CB -0.156 29.549 29.700 0.008 0.000 0.745 145 E HN 0.713 nan 8.360 nan 0.000 0.458 146 E N 0.507 120.716 120.200 0.016 0.000 2.051 146 E HA -0.183 4.166 4.350 -0.001 0.000 0.192 146 E C 2.187 178.803 176.600 0.028 0.000 0.991 146 E CA 0.840 57.254 56.400 0.023 0.000 0.799 146 E CB -0.088 29.628 29.700 0.025 0.000 0.748 146 E HN 0.276 nan 8.360 nan 0.000 0.449 147 I N 0.930 121.512 120.570 0.019 0.000 2.226 147 I HA -0.260 3.909 4.170 -0.001 0.000 0.245 147 I C 2.487 178.620 176.117 0.028 0.000 1.100 147 I CA 1.171 62.482 61.300 0.017 0.000 1.374 147 I CB -0.163 37.836 38.000 -0.003 0.000 1.057 147 I HN 0.092 nan 8.210 nan 0.000 0.413 148 E N 0.457 120.670 120.200 0.021 0.000 2.204 148 E HA -0.252 4.097 4.350 -0.001 0.000 0.194 148 E C 1.525 178.145 176.600 0.033 0.000 0.989 148 E CA 1.189 57.603 56.400 0.024 0.000 0.824 148 E CB 0.160 29.869 29.700 0.015 0.000 0.756 148 E HN 0.372 nan 8.360 nan 0.000 0.477 149 D N -0.684 119.737 120.400 0.035 0.000 2.202 149 D HA 0.020 4.659 4.640 -0.001 0.000 0.214 149 D C 1.707 178.042 176.300 0.058 0.000 0.967 149 D CA 0.806 54.829 54.000 0.038 0.000 0.871 149 D CB 0.205 41.023 40.800 0.029 0.000 1.020 149 D HN 0.143 nan 8.370 nan 0.000 0.474 150 I N -0.407 120.207 120.570 0.073 0.000 2.494 150 I HA -0.085 4.084 4.170 -0.001 0.000 0.250 150 I C 2.017 178.248 176.117 0.190 0.000 1.112 150 I CA 0.386 61.755 61.300 0.114 0.000 1.438 150 I CB 0.230 38.289 38.000 0.100 0.000 1.111 150 I HN -0.080 nan 8.210 nan 0.000 0.431 151 V N 0.435 120.441 119.914 0.152 0.000 2.725 151 V HA 0.183 4.302 4.120 -0.001 0.000 0.247 151 V C 1.586 177.794 176.094 0.189 0.000 1.058 151 V CA 1.028 63.450 62.300 0.202 0.000 1.080 151 V CB -0.747 31.122 31.823 0.077 0.000 0.713 151 V HN 0.660 nan 8.190 nan 0.000 0.465 152 G N 0.799 109.664 108.800 0.109 0.000 2.182 152 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.248 152 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.248 152 G C -0.399 174.535 174.900 0.056 0.000 1.042 152 G CA 0.190 45.333 45.100 0.072 0.000 0.775 152 G HN 0.341 nan 8.290 nan 0.000 0.501 153 I N 0.514 121.112 120.570 0.047 0.000 2.433 153 I HA 0.438 4.608 4.170 -0.001 0.000 0.292 153 I C -0.112 176.012 176.117 0.013 0.000 1.001 153 I CA -1.897 59.420 61.300 0.028 0.000 1.119 153 I CB 1.807 39.822 38.000 0.024 0.000 1.289 153 I HN 0.129 nan 8.210 nan 0.000 0.438 154 D N 5.638 126.042 120.400 0.007 0.000 2.382 154 D HA 0.404 5.043 4.640 -0.001 0.000 0.259 154 D C 0.011 176.306 176.300 -0.008 0.000 1.224 154 D CA 0.349 54.349 54.000 -0.000 0.000 0.894 154 D CB 0.797 41.596 40.800 -0.002 0.000 1.127 154 D HN 0.568 nan 8.370 nan 0.000 0.487 155 A N 2.987 125.802 122.820 -0.009 0.000 2.643 155 A HA 0.164 4.483 4.320 -0.001 0.000 0.295 155 A C 1.469 179.044 177.584 -0.015 0.000 1.065 155 A CA 0.108 52.135 52.037 -0.016 0.000 0.986 155 A CB -0.306 18.684 19.000 -0.017 0.000 1.212 155 A HN 0.570 nan 8.150 nan 0.000 0.516 156 T N -3.158 111.388 114.554 -0.012 0.000 2.857 156 T HA -0.077 4.272 4.350 -0.001 0.000 0.266 156 T C 0.852 175.543 174.700 -0.015 0.000 1.048 156 T CA 1.796 63.889 62.100 -0.011 0.000 1.139 156 T CB -0.163 68.700 68.868 -0.008 0.000 0.874 156 T HN 0.168 nan 8.240 nan 0.000 0.455 157 D N 1.612 122.001 120.400 -0.019 0.000 2.525 157 D HA 0.509 5.148 4.640 -0.001 0.000 0.229 157 D C 0.197 176.479 176.300 -0.031 0.000 1.202 157 D CA -0.363 53.623 54.000 -0.023 0.000 0.828 157 D CB -0.176 40.610 40.800 -0.023 0.000 1.008 157 D HN 0.624 nan 8.370 nan 0.000 0.493 158 A N 0.331 123.133 122.820 -0.031 0.000 2.548 158 A HA 0.246 4.565 4.320 -0.001 0.000 0.247 158 A C 0.427 177.986 177.584 -0.042 0.000 1.067 158 A CA -0.160 51.853 52.037 -0.039 0.000 0.757 158 A CB 0.200 19.178 19.000 -0.036 0.000 0.996 158 A HN 0.121 nan 8.150 nan 0.000 0.504 159 V N 4.953 124.835 119.914 -0.054 0.000 2.614 159 V HA 0.357 4.476 4.120 -0.001 0.000 0.291 159 V C 0.739 176.801 176.094 -0.053 0.000 1.049 159 V CA -0.286 61.980 62.300 -0.055 0.000 1.038 159 V CB 0.341 32.121 31.823 -0.072 0.000 0.980 159 V HN 1.021 nan 8.190 nan 0.000 0.481 160 R N 3.517 123.991 120.500 -0.043 0.000 2.832 160 R HA 0.909 5.248 4.340 -0.001 0.000 0.271 160 R C -0.879 175.400 176.300 -0.035 0.000 0.996 160 R CA -0.594 55.483 56.100 -0.037 0.000 0.977 160 R CB 1.652 31.936 30.300 -0.027 0.000 1.168 160 R HN 0.822 nan 8.270 nan 0.000 0.482 161 C N -1.920 117.361 119.300 -0.031 0.000 3.311 161 C HA 0.698 5.157 4.460 -0.001 0.000 0.325 161 C C -0.384 174.596 174.990 -0.018 0.000 1.352 161 C CA -1.053 57.948 59.018 -0.028 0.000 1.308 161 C CB 1.582 29.299 27.740 -0.039 0.000 1.619 161 C HN 0.908 nan 8.230 nan 0.000 0.469 162 S N -0.173 115.519 115.700 -0.014 0.000 2.501 162 S HA 0.697 5.166 4.470 -0.001 0.000 0.301 162 S C 0.741 175.337 174.600 -0.006 0.000 1.096 162 S CA 0.248 58.444 58.200 -0.007 0.000 1.063 162 S CB 1.545 64.743 63.200 -0.004 0.000 1.042 162 S HN 1.889 nan 8.310 nan 0.000 0.494 163 A N 4.186 127.005 122.820 -0.002 0.000 2.132 163 A HA 0.216 4.535 4.320 -0.001 0.000 0.213 163 A C 1.851 179.435 177.584 0.001 0.000 1.154 163 A CA 0.433 52.469 52.037 -0.000 0.000 0.753 163 A CB -0.178 18.824 19.000 0.003 0.000 0.826 163 A HN 0.861 nan 8.150 nan 0.000 0.469 164 K N -0.409 119.992 120.400 0.001 0.000 2.076 164 K HA -0.069 4.250 4.320 -0.001 0.000 0.204 164 K C 2.073 178.674 176.600 0.002 0.000 1.051 164 K CA 1.829 58.117 56.287 0.002 0.000 0.949 164 K CB -0.086 32.415 32.500 0.002 0.000 0.726 164 K HN 0.655 nan 8.250 nan 0.000 0.443 165 T N -4.407 110.148 114.554 0.001 0.000 3.056 165 T HA 0.220 4.569 4.350 -0.001 0.000 0.243 165 T C 1.435 176.137 174.700 0.003 0.000 0.995 165 T CA 0.571 62.672 62.100 0.003 0.000 1.091 165 T CB 0.722 69.591 68.868 0.002 0.000 0.990 165 T HN 0.277 nan 8.240 nan 0.000 0.464 166 G N 1.576 110.376 108.800 -0.001 0.000 2.144 166 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.218 166 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.218 166 G C 0.128 175.025 174.900 -0.005 0.000 0.988 166 G CA -0.044 45.054 45.100 -0.003 0.000 0.659 166 G HN 1.532 nan 8.290 nan 0.000 0.522 167 V N -1.618 118.293 119.914 -0.004 0.000 2.572 167 V HA 0.666 4.785 4.120 -0.001 0.000 0.291 167 V C 1.609 177.695 176.094 -0.014 0.000 1.039 167 V CA 0.791 63.088 62.300 -0.005 0.000 1.055 167 V CB 0.933 32.754 31.823 -0.002 0.000 0.969 167 V HN 2.196 nan 8.190 nan 0.000 0.482 168 G N 2.508 111.298 108.800 -0.016 0.000 2.199 168 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.254 168 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.254 168 G C 0.470 175.341 174.900 -0.048 0.000 0.982 168 G CA 0.359 45.442 45.100 -0.029 0.000 0.632 168 G HN 1.214 nan 8.290 nan 0.000 0.529 169 V N 0.672 120.558 119.914 -0.047 0.000 2.548 169 V HA -0.152 3.967 4.120 -0.001 0.000 0.249 169 V C 2.641 178.673 176.094 -0.103 0.000 1.055 169 V CA 2.738 64.996 62.300 -0.071 0.000 1.065 169 V CB -0.198 31.594 31.823 -0.052 0.000 0.681 169 V HN 0.605 nan 8.190 nan 0.000 0.462 170 Q N -0.087 119.671 119.800 -0.070 0.000 2.124 170 Q HA -0.247 4.092 4.340 -0.001 0.000 0.202 170 Q C 1.903 177.842 176.000 -0.102 0.000 0.977 170 Q CA 1.846 57.600 55.803 -0.081 0.000 0.850 170 Q CB -0.071 28.687 28.738 0.034 0.000 0.901 170 Q HN 0.610 nan 8.270 nan 0.000 0.429 171 D N -0.276 120.085 120.400 -0.065 0.000 2.178 171 D HA -0.127 4.512 4.640 -0.001 0.000 0.201 171 D C 1.930 178.162 176.300 -0.114 0.000 0.980 171 D CA 0.829 54.790 54.000 -0.065 0.000 0.842 171 D CB -0.054 40.719 40.800 -0.044 0.000 0.948 171 D HN 0.131 nan 8.370 nan 0.000 0.472 172 V N 0.788 120.619 119.914 -0.138 0.000 2.343 172 V HA -0.226 3.893 4.120 -0.001 0.000 0.247 172 V C 2.430 178.368 176.094 -0.259 0.000 1.051 172 V CA 1.117 63.310 62.300 -0.179 0.000 1.036 172 V CB -0.314 31.409 31.823 -0.168 0.000 0.654 172 V HN 0.128 nan 8.190 nan 0.000 0.451 173 L N -0.493 120.539 121.223 -0.318 0.000 2.109 173 L HA -0.069 4.270 4.340 -0.001 0.000 0.207 173 L C 2.531 179.175 176.870 -0.376 0.000 1.086 173 L CA 1.617 56.176 54.840 -0.468 0.000 0.760 173 L CB -0.828 40.754 42.059 -0.796 0.000 0.910 173 L HN 0.285 nan 8.230 nan 0.000 0.437 174 E N -0.499 119.566 120.200 -0.226 0.000 2.038 174 E HA -0.271 4.078 4.350 -0.001 0.000 0.195 174 E C 2.354 178.875 176.600 -0.131 0.000 1.000 174 E CA 1.068 57.418 56.400 -0.084 0.000 0.803 174 E CB -0.175 29.518 29.700 -0.011 0.000 0.750 174 E HN 0.216 nan 8.360 nan 0.000 0.448 175 R N 1.338 121.751 120.500 -0.145 0.000 2.083 175 R HA -0.097 4.242 4.340 -0.001 0.000 0.237 175 R C 2.479 178.668 176.300 -0.185 0.000 1.137 175 R CA 1.132 57.147 56.100 -0.142 0.000 0.951 175 R CB -1.064 29.158 30.300 -0.131 0.000 0.851 175 R HN 0.214 nan 8.270 nan 0.000 0.434 176 L N -0.310 120.756 121.223 -0.261 0.000 1.976 176 L HA -0.278 4.062 4.340 -0.001 0.000 0.223 176 L C 2.091 178.794 176.870 -0.278 0.000 1.081 176 L CA 2.051 56.687 54.840 -0.342 0.000 0.784 176 L CB -0.501 41.244 42.059 -0.524 0.000 0.896 176 L HN 0.135 nan 8.230 nan 0.000 0.438 177 V N -0.289 119.451 119.914 -0.291 0.000 2.392 177 V HA -0.321 3.798 4.120 -0.001 0.000 0.249 177 V C 2.665 178.614 176.094 -0.243 0.000 1.059 177 V CA 2.233 64.333 62.300 -0.333 0.000 1.051 177 V CB -0.824 30.672 31.823 -0.546 0.000 0.658 177 V HN 0.493 nan 8.190 nan 0.000 0.455 178 R N -0.348 120.044 120.500 -0.180 0.000 2.092 178 R HA -0.146 4.193 4.340 -0.001 0.000 0.231 178 R C 1.672 177.923 176.300 -0.082 0.000 1.119 178 R CA 1.907 57.940 56.100 -0.111 0.000 0.970 178 R CB -0.034 30.215 30.300 -0.085 0.000 0.864 178 R HN 0.502 nan 8.270 nan 0.000 0.440 179 D N -0.628 119.715 120.400 -0.094 0.000 2.422 179 D HA 0.150 4.789 4.640 -0.001 0.000 0.218 179 D C 0.211 176.478 176.300 -0.056 0.000 1.047 179 D CA 0.220 54.180 54.000 -0.067 0.000 0.885 179 D CB 0.571 41.329 40.800 -0.070 0.000 1.035 179 D HN 0.129 nan 8.370 nan 0.000 0.502 180 I N 3.961 124.486 120.570 -0.075 0.000 2.396 180 I HA 0.131 4.300 4.170 -0.001 0.000 0.289 180 I C -2.112 173.998 176.117 -0.012 0.000 1.056 180 I CA -1.704 59.572 61.300 -0.040 0.000 1.365 180 I CB 1.117 39.086 38.000 -0.051 0.000 1.407 180 I HN -0.227 nan 8.210 nan 0.000 0.509 181 P HA 0.212 nan 4.420 nan 0.000 0.275 181 P C -2.579 174.750 177.300 0.050 0.000 1.227 181 P CA -1.702 61.415 63.100 0.027 0.000 0.781 181 P CB -0.051 31.666 31.700 0.027 0.000 0.906 182 P HA 0.181 nan 4.420 nan 0.000 0.269 182 P C -2.439 174.901 177.300 0.068 0.000 1.209 182 P CA -1.411 61.737 63.100 0.081 0.000 0.776 182 P CB -1.254 30.503 31.700 0.095 0.000 0.876 183 P HA 0.143 nan 4.420 nan 0.000 0.268 183 P C -0.427 176.902 177.300 0.049 0.000 1.208 183 P CA 0.419 63.556 63.100 0.062 0.000 0.777 183 P CB 0.454 32.194 31.700 0.068 0.000 0.875 184 E N 0.126 120.350 120.200 0.040 0.000 2.256 184 E HA 0.736 5.085 4.350 -0.001 0.000 0.267 184 E C -0.183 176.432 176.600 0.027 0.000 0.892 184 E CA -0.747 55.672 56.400 0.032 0.000 0.775 184 E CB 1.913 31.631 29.700 0.030 0.000 1.207 184 E HN 0.680 nan 8.360 nan 0.000 0.420 185 G N 1.540 110.353 108.800 0.022 0.000 2.324 185 G HA2 0.084 4.043 3.960 -0.001 0.000 0.293 185 G HA3 0.084 4.043 3.960 -0.001 0.000 0.293 185 G C -1.865 173.043 174.900 0.012 0.000 1.297 185 G CA -0.852 44.257 45.100 0.016 0.000 0.853 185 G HN 0.440 nan 8.290 nan 0.000 0.535 186 D N 0.323 120.728 120.400 0.008 0.000 2.441 186 D HA 0.528 5.167 4.640 -0.001 0.000 0.231 186 D C -1.451 174.850 176.300 0.001 0.000 1.073 186 D CA -2.030 51.974 54.000 0.005 0.000 0.850 186 D CB 2.243 43.046 40.800 0.004 0.000 1.062 186 D HN -0.059 nan 8.370 nan 0.000 0.524 187 P HA -0.112 nan 4.420 nan 0.000 0.220 187 P C 0.614 177.910 177.300 -0.007 0.000 1.144 187 P CA 0.980 64.077 63.100 -0.005 0.000 0.800 187 P CB 0.593 32.290 31.700 -0.005 0.000 0.772 188 E N -1.211 118.986 120.200 -0.005 0.000 2.415 188 E HA 0.168 4.517 4.350 -0.001 0.000 0.197 188 E C 1.321 177.917 176.600 -0.006 0.000 1.007 188 E CA 0.008 56.404 56.400 -0.007 0.000 0.890 188 E CB -0.735 28.961 29.700 -0.006 0.000 0.891 188 E HN 0.077 nan 8.360 nan 0.000 0.496 189 G N 2.206 111.004 108.800 -0.004 0.000 2.664 189 G HA2 0.138 4.097 3.960 -0.001 0.000 0.242 189 G HA3 0.138 4.097 3.960 -0.001 0.000 0.242 189 G C -2.223 172.673 174.900 -0.005 0.000 1.225 189 G CA -0.940 44.159 45.100 -0.003 0.000 0.849 189 G HN -0.023 nan 8.290 nan 0.000 0.581 190 P HA -0.035 nan 4.420 nan 0.000 0.265 190 P C 0.404 177.699 177.300 -0.008 0.000 1.187 190 P CA -0.090 63.006 63.100 -0.007 0.000 0.766 190 P CB 0.659 32.355 31.700 -0.007 0.000 0.820 191 L N 3.604 124.820 121.223 -0.011 0.000 2.513 191 L HA -0.029 4.310 4.340 -0.001 0.000 0.272 191 L C 0.345 177.208 176.870 -0.011 0.000 1.187 191 L CA 0.811 55.644 54.840 -0.012 0.000 0.895 191 L CB -0.201 41.849 42.059 -0.016 0.000 1.147 191 L HN 0.460 nan 8.230 nan 0.000 0.483 192 Q N 4.679 124.474 119.800 -0.008 0.000 2.414 192 Q HA 0.479 4.819 4.340 -0.001 0.000 0.256 192 Q C -1.085 174.914 176.000 -0.002 0.000 0.974 192 Q CA -0.446 55.354 55.803 -0.005 0.000 0.723 192 Q CB 2.057 30.795 28.738 0.001 0.000 1.281 192 Q HN 0.744 nan 8.270 nan 0.000 0.470 193 A N 2.674 125.491 122.820 -0.006 0.000 2.304 193 A HA 0.565 4.884 4.320 -0.001 0.000 0.314 193 A C -1.046 176.542 177.584 0.006 0.000 1.187 193 A CA -0.604 51.432 52.037 -0.002 0.000 0.810 193 A CB 0.681 19.674 19.000 -0.011 0.000 1.183 193 A HN 0.648 nan 8.150 nan 0.000 0.487 194 L N 3.769 125.003 121.223 0.019 0.000 2.313 194 L HA 0.456 4.795 4.340 -0.001 0.000 0.282 194 L C -0.509 176.387 176.870 0.043 0.000 1.092 194 L CA -0.085 54.776 54.840 0.035 0.000 0.831 194 L CB 0.163 42.246 42.059 0.041 0.000 1.159 194 L HN 0.575 nan 8.230 nan 0.000 0.442 195 I N 7.054 127.655 120.570 0.052 0.000 2.483 195 I HA 0.010 4.179 4.170 -0.001 0.000 0.291 195 I C 1.144 177.313 176.117 0.086 0.000 1.112 195 I CA 0.748 62.087 61.300 0.064 0.000 1.350 195 I CB 0.393 38.430 38.000 0.062 0.000 1.419 195 I HN 0.712 nan 8.210 nan 0.000 0.523 196 I N 3.459 124.082 120.570 0.088 0.000 2.400 196 I HA 0.034 4.203 4.170 -0.001 0.000 0.248 196 I C 0.513 176.697 176.117 0.111 0.000 1.109 196 I CA 0.954 62.306 61.300 0.087 0.000 1.425 196 I CB 0.019 38.069 38.000 0.083 0.000 1.094 196 I HN 0.547 nan 8.210 nan 0.000 0.425 197 D N -1.034 119.465 120.400 0.165 0.000 2.654 197 D HA 0.390 5.029 4.640 -0.001 0.000 0.231 197 D C -1.499 174.947 176.300 0.244 0.000 1.239 197 D CA -0.209 53.925 54.000 0.223 0.000 0.790 197 D CB 2.103 43.068 40.800 0.274 0.000 1.480 197 D HN -0.211 nan 8.370 nan 0.000 0.442 198 S N 1.420 117.250 115.700 0.215 0.000 2.571 198 S HA 0.756 5.225 4.470 -0.001 0.000 0.284 198 S C -1.285 173.435 174.600 0.199 0.000 1.128 198 S CA -0.919 57.310 58.200 0.047 0.000 0.970 198 S CB 0.863 64.040 63.200 -0.039 0.000 1.039 198 S HN 0.465 nan 8.310 nan 0.000 0.485 199 W N 1.736 123.051 121.300 0.026 0.000 3.032 199 W HA 0.833 5.493 4.660 -0.002 0.000 0.341 199 W C -1.803 174.771 176.519 0.092 0.000 1.202 199 W CA -1.395 55.977 57.345 0.046 0.000 1.132 199 W CB 0.409 29.878 29.460 0.014 0.000 1.465 199 W HN 0.457 nan 8.180 nan 0.000 0.576 200 F N 3.031 123.088 119.950 0.179 0.000 2.415 200 F HA 0.298 4.824 4.527 -0.001 0.000 0.348 200 F C -0.103 175.811 175.800 0.190 0.000 1.119 200 F CA -0.526 57.517 58.000 0.073 0.000 1.069 200 F CB 0.711 39.743 39.000 0.055 0.000 1.124 200 F HN 0.380 nan 8.300 nan 0.000 0.472 201 D N 5.207 125.360 120.400 -0.411 0.000 2.280 201 D HA 0.099 4.738 4.640 -0.001 0.000 0.236 201 D C 0.332 176.382 176.300 -0.417 0.000 1.082 201 D CA -0.234 53.645 54.000 -0.202 0.000 0.834 201 D CB 0.943 41.665 40.800 -0.130 0.000 1.100 201 D HN 0.562 nan 8.370 nan 0.000 0.486 202 N N 2.650 121.319 118.700 -0.052 0.000 2.588 202 N HA -0.198 4.541 4.740 -0.001 0.000 0.190 202 N C 0.680 176.240 175.510 0.083 0.000 1.094 202 N CA 0.744 53.845 53.050 0.084 0.000 0.921 202 N CB 0.170 38.755 38.487 0.162 0.000 0.959 202 N HN 0.607 nan 8.380 nan 0.000 0.448 203 Y N -0.659 119.562 120.300 -0.131 0.000 2.652 203 Y HA 0.221 4.771 4.550 -0.002 0.000 0.274 203 Y C 1.463 177.278 175.900 -0.141 0.000 1.148 203 Y CA -0.036 58.006 58.100 -0.098 0.000 1.219 203 Y CB -0.062 38.361 38.460 -0.061 0.000 1.337 203 Y HN -0.217 nan 8.280 nan 0.000 0.490 204 L N 0.438 121.474 121.223 -0.312 0.000 2.307 204 L HA 0.402 4.741 4.340 -0.001 0.000 0.211 204 L C 1.384 178.012 176.870 -0.405 0.000 1.099 204 L CA 1.320 55.930 54.840 -0.384 0.000 0.816 204 L CB -0.815 41.097 42.059 -0.245 0.000 0.952 204 L HN 0.504 nan 8.230 nan 0.000 0.455 205 G N -0.981 107.474 108.800 -0.575 0.000 2.482 205 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.214 205 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.214 205 G C -0.541 173.948 174.900 -0.685 0.000 1.271 205 G CA -0.494 44.178 45.100 -0.712 0.000 0.944 205 G HN -0.105 nan 8.290 nan 0.000 0.568 206 V N 0.762 120.458 119.914 -0.362 0.000 2.485 206 V HA 0.415 4.534 4.120 -0.001 0.000 0.287 206 V C 0.791 176.638 176.094 -0.411 0.000 1.022 206 V CA 0.125 62.256 62.300 -0.281 0.000 1.067 206 V CB 0.786 32.532 31.823 -0.128 0.000 0.967 206 V HN 0.904 nan 8.190 nan 0.000 0.479 207 V N 4.585 124.096 119.914 -0.672 0.000 2.555 207 V HA 0.552 4.671 4.120 -0.001 0.000 0.302 207 V C -0.021 175.486 176.094 -0.979 0.000 1.038 207 V CA -0.432 61.384 62.300 -0.806 0.000 0.887 207 V CB 2.152 33.372 31.823 -1.005 0.000 0.991 207 V HN 0.839 nan 8.190 nan 0.000 0.434 208 S N 4.013 119.404 115.700 -0.515 0.000 2.502 208 S HA 0.659 5.128 4.470 -0.001 0.000 0.304 208 S C -0.679 173.897 174.600 -0.040 0.000 1.097 208 S CA -0.463 57.563 58.200 -0.290 0.000 1.045 208 S CB 1.691 64.806 63.200 -0.142 0.000 1.019 208 S HN 0.616 nan 8.310 nan 0.000 0.481 209 L N 4.312 125.641 121.223 0.177 0.000 2.290 209 L HA 0.554 4.894 4.340 -0.001 0.000 0.284 209 L C -0.976 175.991 176.870 0.161 0.000 1.078 209 L CA 0.206 55.236 54.840 0.317 0.000 0.815 209 L CB 0.123 42.456 42.059 0.456 0.000 1.162 209 L HN 0.600 nan 8.230 nan 0.000 0.435 210 I N 4.882 125.520 120.570 0.114 0.000 2.603 210 I HA 0.532 4.702 4.170 -0.001 0.000 0.300 210 I C -0.344 175.800 176.117 0.044 0.000 1.017 210 I CA -0.994 60.337 61.300 0.052 0.000 1.098 210 I CB 1.753 39.756 38.000 0.005 0.000 1.279 210 I HN 0.493 nan 8.210 nan 0.000 0.437 211 R N 5.946 126.466 120.500 0.033 0.000 2.480 211 R HA 0.476 4.815 4.340 -0.001 0.000 0.306 211 R C -1.176 175.133 176.300 0.015 0.000 0.958 211 R CA -0.809 55.307 56.100 0.026 0.000 0.861 211 R CB 1.392 31.712 30.300 0.033 0.000 1.171 211 R HN 0.474 nan 8.270 nan 0.000 0.445 212 I N 5.923 126.497 120.570 0.008 0.000 2.322 212 I HA 0.151 4.321 4.170 -0.001 0.000 0.292 212 I C 1.258 177.381 176.117 0.011 0.000 1.060 212 I CA -0.192 61.109 61.300 0.002 0.000 1.309 212 I CB 1.078 39.072 38.000 -0.011 0.000 1.415 212 I HN 0.385 nan 8.210 nan 0.000 0.492 213 K N 3.934 124.341 120.400 0.012 0.000 2.202 213 K HA 0.141 4.460 4.320 -0.001 0.000 0.201 213 K C 0.243 176.851 176.600 0.013 0.000 1.051 213 K CA 0.598 56.895 56.287 0.017 0.000 0.977 213 K CB 0.213 32.724 32.500 0.019 0.000 0.792 213 K HN 0.496 nan 8.250 nan 0.000 0.469 214 N N -1.168 117.536 118.700 0.006 0.000 2.329 214 N HA 0.430 5.169 4.740 -0.001 0.000 0.282 214 N C -0.650 174.858 175.510 -0.003 0.000 1.198 214 N CA 0.667 53.719 53.050 0.003 0.000 0.790 214 N CB 2.152 40.641 38.487 0.004 0.000 1.579 214 N HN 0.245 nan 8.380 nan 0.000 0.475 215 G N 0.036 108.833 108.800 -0.005 0.000 2.741 215 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.222 215 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.222 215 G C -1.228 173.663 174.900 -0.015 0.000 1.364 215 G CA -0.241 44.853 45.100 -0.010 0.000 0.866 215 G HN 0.664 nan 8.290 nan 0.000 0.555 216 T N 0.132 114.673 114.554 -0.021 0.000 2.881 216 T HA 0.553 4.902 4.350 -0.001 0.000 0.290 216 T C -0.728 173.950 174.700 -0.036 0.000 1.000 216 T CA -0.398 61.684 62.100 -0.029 0.000 0.978 216 T CB 1.905 70.756 68.868 -0.028 0.000 0.997 216 T HN 1.071 nan 8.240 nan 0.000 0.443 217 L N 3.862 125.056 121.223 -0.048 0.000 2.296 217 L HA 0.648 4.987 4.340 -0.001 0.000 0.286 217 L C -0.218 176.609 176.870 -0.071 0.000 1.023 217 L CA -0.172 54.633 54.840 -0.058 0.000 0.812 217 L CB 0.611 42.629 42.059 -0.067 0.000 1.223 217 L HN 0.574 nan 8.230 nan 0.000 0.421 218 R N 3.183 123.645 120.500 -0.063 0.000 2.902 218 R HA 0.415 4.754 4.340 -0.001 0.000 0.258 218 R C 0.520 176.778 176.300 -0.070 0.000 1.071 218 R CA -0.925 55.135 56.100 -0.068 0.000 1.024 218 R CB 1.388 31.657 30.300 -0.052 0.000 1.184 218 R HN 0.527 nan 8.270 nan 0.000 0.492 219 K N 0.788 121.145 120.400 -0.073 0.000 1.987 219 K HA -0.161 4.158 4.320 -0.001 0.000 0.216 219 K C 1.915 178.486 176.600 -0.048 0.000 1.051 219 K CA 2.198 58.444 56.287 -0.069 0.000 0.942 219 K CB -0.684 31.779 32.500 -0.063 0.000 0.722 219 K HN 0.787 nan 8.250 nan 0.000 0.444 220 G N 0.955 109.733 108.800 -0.037 0.000 2.462 220 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.220 220 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.220 220 G C -0.152 174.735 174.900 -0.022 0.000 1.121 220 G CA 0.532 45.616 45.100 -0.026 0.000 0.758 220 G HN 0.381 nan 8.290 nan 0.000 0.559 221 D N 0.869 121.253 120.400 -0.026 0.000 2.571 221 D HA 0.141 4.780 4.640 -0.001 0.000 0.231 221 D C 0.659 176.953 176.300 -0.011 0.000 1.133 221 D CA 0.539 54.526 54.000 -0.021 0.000 0.862 221 D CB 0.586 41.370 40.800 -0.027 0.000 1.179 221 D HN 0.518 nan 8.370 nan 0.000 0.474 222 K N 0.378 120.773 120.400 -0.009 0.000 2.267 222 K HA 0.402 4.721 4.320 -0.001 0.000 0.282 222 K C -0.038 176.564 176.600 0.004 0.000 1.078 222 K CA -0.930 55.357 56.287 -0.000 0.000 0.903 222 K CB 0.757 33.250 32.500 -0.012 0.000 1.111 222 K HN 0.248 nan 8.250 nan 0.000 0.475 223 V N 0.238 120.170 119.914 0.031 0.000 3.036 223 V HA 0.451 4.570 4.120 -0.001 0.000 0.308 223 V C -0.331 175.794 176.094 0.051 0.000 1.070 223 V CA -0.748 61.575 62.300 0.039 0.000 1.056 223 V CB 1.155 33.008 31.823 0.050 0.000 1.084 223 V HN 0.920 nan 8.190 nan 0.000 0.471 224 K N 2.007 122.429 120.400 0.037 0.000 2.507 224 K HA 0.636 4.955 4.320 -0.001 0.000 0.252 224 K C -1.550 175.071 176.600 0.034 0.000 0.943 224 K CA -0.696 55.604 56.287 0.023 0.000 0.808 224 K CB 2.122 34.613 32.500 -0.014 0.000 1.142 224 K HN 0.722 nan 8.250 nan 0.000 0.426 225 V N 6.516 126.473 119.914 0.072 0.000 2.408 225 V HA 0.091 4.210 4.120 -0.001 0.000 0.267 225 V C 1.467 177.545 176.094 -0.026 0.000 1.047 225 V CA -0.220 62.102 62.300 0.037 0.000 0.937 225 V CB 1.016 32.902 31.823 0.106 0.000 0.999 225 V HN 0.956 nan 8.190 nan 0.000 0.472 226 M N 2.049 121.598 119.600 -0.086 0.000 2.229 226 M HA -0.109 4.370 4.480 -0.001 0.000 0.264 226 M C 2.115 178.334 176.300 -0.135 0.000 1.063 226 M CA 1.335 56.569 55.300 -0.109 0.000 1.114 226 M CB -0.196 32.329 32.600 -0.125 0.000 1.387 226 M HN 0.768 nan 8.290 nan 0.000 0.420 227 S N -0.060 115.515 115.700 -0.209 0.000 2.329 227 S HA -0.139 4.330 4.470 -0.001 0.000 0.215 227 S C 2.017 176.594 174.600 -0.037 0.000 1.031 227 S CA 1.994 60.094 58.200 -0.165 0.000 0.985 227 S CB -0.539 62.513 63.200 -0.246 0.000 0.917 227 S HN 0.510 nan 8.310 nan 0.000 0.441 228 T N 0.051 114.603 114.554 -0.004 0.000 2.833 228 T HA 0.045 4.394 4.350 -0.001 0.000 0.269 228 T C 1.479 176.181 174.700 0.003 0.000 1.054 228 T CA 1.956 64.075 62.100 0.031 0.000 1.135 228 T CB -0.845 68.070 68.868 0.079 0.000 0.869 228 T HN 0.704 nan 8.240 nan 0.000 0.466 229 G N 0.421 109.213 108.800 -0.014 0.000 2.179 229 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.260 229 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.260 229 G C 0.060 174.928 174.900 -0.054 0.000 0.977 229 G CA 0.429 45.510 45.100 -0.031 0.000 0.641 229 G HN 0.655 nan 8.290 nan 0.000 0.533 230 Q N 1.048 120.811 119.800 -0.062 0.000 2.368 230 Q HA 0.486 4.826 4.340 -0.001 0.000 0.237 230 Q C 0.742 176.579 176.000 -0.272 0.000 0.987 230 Q CA 0.897 56.590 55.803 -0.184 0.000 0.896 230 Q CB 0.778 29.379 28.738 -0.229 0.000 1.241 230 Q HN 0.565 nan 8.270 nan 0.000 0.485 231 T N -0.897 113.405 114.554 -0.420 0.000 2.918 231 T HA 0.682 5.031 4.350 -0.001 0.000 0.286 231 T C -0.898 173.431 174.700 -0.618 0.000 1.026 231 T CA -0.547 61.348 62.100 -0.342 0.000 1.031 231 T CB 0.796 69.558 68.868 -0.176 0.000 1.046 231 T HN 0.444 nan 8.240 nan 0.000 0.479 232 Y N -0.449 119.837 120.300 -0.023 0.000 2.615 232 Y HA 0.493 5.042 4.550 -0.002 0.000 0.341 232 Y C -0.005 175.878 175.900 -0.028 0.000 1.089 232 Y CA -1.406 56.680 58.100 -0.024 0.000 1.049 232 Y CB 2.008 40.453 38.460 -0.025 0.000 1.296 232 Y HN 0.553 nan 8.280 nan 0.000 0.470 233 N N 1.122 119.909 118.700 0.146 0.000 2.422 233 N HA 0.406 5.145 4.740 -0.001 0.000 0.266 233 N C -0.690 174.844 175.510 0.040 0.000 1.007 233 N CA -0.272 52.816 53.050 0.063 0.000 0.941 233 N CB 1.741 40.249 38.487 0.034 0.000 1.115 233 N HN 0.796 nan 8.380 nan 0.000 0.492 234 A N 2.854 125.681 122.820 0.011 0.000 2.981 234 A HA 0.041 4.360 4.320 -0.001 0.000 0.280 234 A C 0.820 178.385 177.584 -0.031 0.000 1.797 234 A CA -0.226 51.798 52.037 -0.021 0.000 1.456 234 A CB -0.321 18.654 19.000 -0.042 0.000 1.057 234 A HN 0.551 nan 8.150 nan 0.000 0.602 235 D N 0.996 121.385 120.400 -0.019 0.000 2.084 235 D HA -0.073 4.567 4.640 -0.001 0.000 0.194 235 D C 0.798 177.087 176.300 -0.018 0.000 0.990 235 D CA 1.417 55.408 54.000 -0.015 0.000 0.826 235 D CB 0.133 40.927 40.800 -0.011 0.000 0.971 235 D HN 0.612 nan 8.370 nan 0.000 0.453 236 R N -0.511 119.984 120.500 -0.008 0.000 2.725 236 R HA 0.627 4.966 4.340 -0.001 0.000 0.277 236 R C -1.098 175.107 176.300 -0.158 0.000 0.987 236 R CA -0.799 55.299 56.100 -0.004 0.000 0.901 236 R CB 2.371 32.776 30.300 0.176 0.000 1.207 236 R HN -0.037 nan 8.270 nan 0.000 0.463 237 L N -1.829 119.098 121.223 -0.493 0.000 2.622 237 L HA 0.991 5.330 4.340 -0.001 0.000 0.258 237 L C -0.331 175.670 176.870 -1.449 0.000 0.996 237 L CA -0.543 53.660 54.840 -1.061 0.000 0.858 237 L CB 1.951 43.669 42.059 -0.568 0.000 1.449 237 L HN 0.743 nan 8.230 nan 0.000 0.411 238 G N 0.074 107.632 108.800 -2.068 0.000 2.435 238 G HA2 0.603 4.562 3.960 -0.001 0.000 0.296 238 G HA3 0.603 4.562 3.960 -0.001 0.000 0.296 238 G C -1.671 172.593 174.900 -1.061 0.000 1.240 238 G CA -0.115 44.239 45.100 -1.242 0.000 0.872 238 G HN 1.295 nan 8.290 nan 0.000 0.480 239 I N -2.557 117.804 120.570 -0.348 0.000 3.067 239 I HA 0.872 5.041 4.170 -0.001 0.000 0.312 239 I C -1.147 174.985 176.117 0.025 0.000 1.073 239 I CA -1.417 59.820 61.300 -0.106 0.000 1.016 239 I CB 2.201 40.184 38.000 -0.028 0.000 1.227 239 I HN 0.321 nan 8.210 nan 0.000 0.456 240 F N 0.574 120.691 119.950 0.278 0.000 2.432 240 F HA 0.515 5.042 4.527 -0.001 0.000 0.329 240 F C 1.059 176.913 175.800 0.089 0.000 1.076 240 F CA -0.398 57.701 58.000 0.165 0.000 1.018 240 F CB 2.101 41.153 39.000 0.087 0.000 1.201 240 F HN 0.511 nan 8.300 nan 0.000 0.489 241 T N 0.590 115.305 114.554 0.269 0.000 2.986 241 T HA 0.102 4.451 4.350 -0.001 0.000 0.264 241 T C -1.446 173.326 174.700 0.120 0.000 0.964 241 T CA -0.038 62.158 62.100 0.161 0.000 0.895 241 T CB -0.060 68.887 68.868 0.132 0.000 1.163 241 T HN 0.373 nan 8.240 nan 0.000 0.517 242 P HA 0.088 nan 4.420 nan 0.000 0.237 242 P C 0.264 177.675 177.300 0.184 0.000 1.178 242 P CA 0.380 63.546 63.100 0.111 0.000 0.766 242 P CB 0.042 31.741 31.700 -0.002 0.000 0.876 243 K N 1.082 121.571 120.400 0.147 0.000 2.485 243 K HA -0.012 4.307 4.320 -0.001 0.000 0.277 243 K C 0.626 177.354 176.600 0.214 0.000 0.990 243 K CA 0.212 56.587 56.287 0.146 0.000 0.994 243 K CB 0.251 32.807 32.500 0.094 0.000 0.906 243 K HN 0.115 nan 8.250 nan 0.000 0.488 244 Q N 3.173 123.082 119.800 0.181 0.000 2.369 244 Q HA 0.150 4.489 4.340 -0.001 0.000 0.247 244 Q C -1.163 174.921 176.000 0.141 0.000 1.083 244 Q CA -0.462 55.403 55.803 0.104 0.000 0.905 244 Q CB 0.545 29.241 28.738 -0.071 0.000 1.305 244 Q HN 0.249 nan 8.270 nan 0.000 0.465 245 V N 3.744 123.784 119.914 0.209 0.000 2.435 245 V HA 0.262 4.381 4.120 -0.001 0.000 0.290 245 V C -0.306 175.932 176.094 0.239 0.000 1.030 245 V CA -0.957 61.451 62.300 0.180 0.000 0.881 245 V CB 1.751 33.636 31.823 0.104 0.000 0.983 245 V HN 0.744 nan 8.190 nan 0.000 0.445 246 D N 3.214 123.734 120.400 0.200 0.000 2.344 246 D HA 0.522 5.161 4.640 -0.001 0.000 0.244 246 D C 0.123 176.382 176.300 -0.069 0.000 1.134 246 D CA -0.098 53.949 54.000 0.078 0.000 0.930 246 D CB 0.655 41.520 40.800 0.109 0.000 1.175 246 D HN 0.327 nan 8.370 nan 0.000 0.437 247 R N -0.050 120.335 120.500 -0.192 0.000 2.808 247 R HA 0.278 4.618 4.340 -0.001 0.000 0.272 247 R C 0.717 176.925 176.300 -0.153 0.000 0.995 247 R CA -0.571 55.433 56.100 -0.160 0.000 0.917 247 R CB 1.146 31.328 30.300 -0.196 0.000 1.217 247 R HN 0.504 nan 8.270 nan 0.000 0.471 248 T N -0.316 114.174 114.554 -0.107 0.000 2.904 248 T HA -0.065 4.284 4.350 -0.001 0.000 0.267 248 T C 0.207 174.842 174.700 -0.108 0.000 1.059 248 T CA 1.403 63.448 62.100 -0.091 0.000 1.137 248 T CB 0.262 69.093 68.868 -0.062 0.000 0.879 248 T HN 0.635 nan 8.240 nan 0.000 0.467 249 E N -0.274 119.854 120.200 -0.120 0.000 2.375 249 E HA 0.420 4.769 4.350 -0.001 0.000 0.280 249 E C -1.766 174.755 176.600 -0.132 0.000 0.972 249 E CA -0.947 55.383 56.400 -0.117 0.000 0.782 249 E CB 0.907 30.559 29.700 -0.080 0.000 1.229 249 E HN 0.189 nan 8.360 nan 0.000 0.439 250 L N 3.061 124.204 121.223 -0.133 0.000 2.280 250 L HA 0.421 4.760 4.340 -0.001 0.000 0.287 250 L C 0.159 176.984 176.870 -0.075 0.000 1.023 250 L CA -0.628 54.141 54.840 -0.118 0.000 0.819 250 L CB 1.106 43.081 42.059 -0.141 0.000 1.212 250 L HN 0.578 nan 8.230 nan 0.000 0.420 251 K N 2.022 122.389 120.400 -0.056 0.000 2.210 251 K HA 0.366 4.686 4.320 -0.001 0.000 0.236 251 K C -0.414 176.173 176.600 -0.021 0.000 1.016 251 K CA -0.801 55.465 56.287 -0.036 0.000 0.913 251 K CB 1.390 33.872 32.500 -0.030 0.000 1.141 251 K HN 0.410 nan 8.250 nan 0.000 0.462 252 C N 1.139 120.432 119.300 -0.012 0.000 2.638 252 C HA 0.341 4.800 4.460 -0.001 0.000 0.410 252 C C 1.396 176.393 174.990 0.011 0.000 1.404 252 C CA 1.980 60.998 59.018 -0.001 0.000 1.651 252 C CB -1.820 25.921 27.740 0.002 0.000 2.495 252 C HN 1.045 nan 8.230 nan 0.000 0.606 253 G N 4.548 113.359 108.800 0.018 0.000 2.176 253 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.232 253 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.232 253 G C -0.122 174.801 174.900 0.038 0.000 0.986 253 G CA 0.197 45.317 45.100 0.035 0.000 0.643 253 G HN 0.770 nan 8.290 nan 0.000 0.522 254 E N -0.344 119.868 120.200 0.020 0.000 2.248 254 E HA 0.593 4.942 4.350 -0.001 0.000 0.272 254 E C -0.393 176.214 176.600 0.012 0.000 1.008 254 E CA -0.738 55.672 56.400 0.016 0.000 0.856 254 E CB 2.440 32.135 29.700 -0.008 0.000 1.120 254 E HN 0.101 nan 8.360 nan 0.000 0.397 255 V N 1.262 121.188 119.914 0.021 0.000 2.495 255 V HA 0.748 4.867 4.120 -0.001 0.000 0.298 255 V C 0.347 176.454 176.094 0.023 0.000 1.031 255 V CA -0.343 61.976 62.300 0.031 0.000 0.871 255 V CB 1.448 33.298 31.823 0.045 0.000 0.988 255 V HN 0.859 nan 8.190 nan 0.000 0.432 256 G N 3.168 111.981 108.800 0.021 0.000 2.554 256 G HA2 0.551 4.511 3.960 -0.001 0.000 0.306 256 G HA3 0.551 4.511 3.960 -0.001 0.000 0.306 256 G C -1.738 173.183 174.900 0.034 0.000 1.320 256 G CA -0.693 44.383 45.100 -0.041 0.000 0.800 256 G HN 0.789 nan 8.290 nan 0.000 0.481 257 W N -0.414 120.821 121.300 -0.108 0.000 2.627 257 W HA 0.816 5.475 4.660 -0.001 0.000 0.339 257 W C -1.866 174.581 176.519 -0.121 0.000 1.058 257 W CA -1.435 55.866 57.345 -0.073 0.000 1.223 257 W CB 1.524 30.919 29.460 -0.108 0.000 1.389 257 W HN 0.582 nan 8.180 nan 0.000 0.541 258 L N 3.201 124.497 121.223 0.121 0.000 2.409 258 L HA 0.590 4.930 4.340 -0.001 0.000 0.272 258 L C -1.479 175.428 176.870 0.061 0.000 0.980 258 L CA -0.720 54.116 54.840 -0.007 0.000 0.826 258 L CB 2.042 44.055 42.059 -0.078 0.000 1.268 258 L HN 0.296 nan 8.230 nan 0.000 0.407 259 V N 4.800 124.771 119.914 0.094 0.000 2.284 259 V HA 0.386 4.505 4.120 -0.001 0.000 0.274 259 V C -0.356 175.715 176.094 -0.039 0.000 1.023 259 V CA -0.456 61.855 62.300 0.020 0.000 0.808 259 V CB 0.680 32.558 31.823 0.091 0.000 1.035 259 V HN 0.952 nan 8.190 nan 0.000 0.445 260 C N 2.233 121.475 119.300 -0.096 0.000 2.456 260 C HA 0.870 5.329 4.460 -0.001 0.000 0.325 260 C C 1.015 175.917 174.990 -0.147 0.000 1.217 260 C CA -1.040 57.928 59.018 -0.083 0.000 1.687 260 C CB 1.086 28.798 27.740 -0.047 0.000 2.270 260 C HN 0.888 nan 8.230 nan 0.000 0.499 261 A N 2.707 125.488 122.820 -0.066 0.000 3.046 261 A HA 0.367 4.686 4.320 -0.001 0.000 0.259 261 A C 0.336 177.871 177.584 -0.081 0.000 1.843 261 A CA 0.009 52.011 52.037 -0.058 0.000 1.451 261 A CB -1.095 17.909 19.000 0.005 0.000 1.025 261 A HN 0.813 nan 8.150 nan 0.000 0.625 262 I N 1.500 121.885 120.570 -0.308 0.000 2.588 262 I HA -0.005 4.164 4.170 -0.001 0.000 0.283 262 I C 1.326 177.389 176.117 -0.089 0.000 1.119 262 I CA -0.522 60.522 61.300 -0.427 0.000 1.419 262 I CB 0.869 38.489 38.000 -0.632 0.000 1.394 262 I HN 0.533 nan 8.210 nan 0.000 0.562 263 K N 4.482 124.901 120.400 0.031 0.000 1.971 263 K HA -0.168 4.151 4.320 -0.001 0.000 0.221 263 K C 0.082 176.740 176.600 0.096 0.000 1.050 263 K CA 1.613 57.952 56.287 0.086 0.000 0.967 263 K CB -0.500 32.064 32.500 0.106 0.000 0.733 263 K HN 0.791 nan 8.250 nan 0.000 0.445 264 D N -1.348 119.104 120.400 0.088 0.000 2.566 264 D HA 0.184 4.823 4.640 -0.001 0.000 0.254 264 D C 0.929 177.268 176.300 0.065 0.000 1.090 264 D CA -0.740 53.319 54.000 0.098 0.000 1.034 264 D CB 0.471 41.342 40.800 0.118 0.000 1.434 264 D HN 0.152 nan 8.370 nan 0.000 0.509 265 I N -2.563 118.017 120.570 0.016 0.000 3.083 265 I HA -0.071 4.098 4.170 -0.001 0.000 0.273 265 I C 0.753 176.794 176.117 -0.127 0.000 1.297 265 I CA 0.707 61.966 61.300 -0.068 0.000 1.452 265 I CB -0.440 37.516 38.000 -0.073 0.000 1.078 265 I HN 0.271 nan 8.210 nan 0.000 0.484 266 H N 1.541 120.642 119.070 0.052 0.000 2.529 266 H HA 0.153 4.708 4.556 -0.002 0.000 0.277 266 H C 2.282 177.652 175.328 0.071 0.000 0.999 266 H CA 1.095 57.183 56.048 0.067 0.000 1.256 266 H CB 0.134 29.930 29.762 0.057 0.000 1.402 266 H HN 0.562 nan 8.280 nan 0.000 0.566 267 G N 0.278 109.167 108.800 0.148 0.000 2.572 267 G HA2 0.102 4.061 3.960 -0.001 0.000 0.216 267 G HA3 0.102 4.061 3.960 -0.001 0.000 0.216 267 G C 0.692 175.626 174.900 0.057 0.000 1.133 267 G CA 0.546 45.715 45.100 0.114 0.000 0.791 267 G HN 0.367 nan 8.290 nan 0.000 0.538 268 A N 0.867 123.696 122.820 0.014 0.000 2.978 268 A HA 0.699 5.018 4.320 -0.001 0.000 0.341 268 A C -2.805 174.809 177.584 0.051 0.000 1.105 268 A CA -1.192 50.843 52.037 -0.002 0.000 0.819 268 A CB 1.260 20.209 19.000 -0.085 0.000 1.080 268 A HN 0.075 nan 8.150 nan 0.000 0.476 269 P HA 0.155 nan 4.420 nan 0.000 0.275 269 P C 0.385 177.823 177.300 0.229 0.000 1.228 269 P CA -0.157 63.067 63.100 0.207 0.000 0.786 269 P CB 1.080 33.004 31.700 0.373 0.000 0.927 270 V N 2.856 122.890 119.914 0.200 0.000 2.529 270 V HA 0.362 4.481 4.120 -0.001 0.000 0.292 270 V C 1.278 177.541 176.094 0.282 0.000 1.028 270 V CA 1.816 64.228 62.300 0.187 0.000 1.074 270 V CB -0.599 31.305 31.823 0.134 0.000 0.958 270 V HN 0.966 nan 8.190 nan 0.000 0.481 271 G N 4.137 113.097 108.800 0.267 0.000 2.232 271 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.226 271 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.226 271 G C 0.251 175.425 174.900 0.457 0.000 0.996 271 G CA 0.241 45.558 45.100 0.362 0.000 0.626 271 G HN 0.886 nan 8.290 nan 0.000 0.509 272 D N 1.136 121.735 120.400 0.332 0.000 2.363 272 D HA 0.526 5.165 4.640 -0.001 0.000 0.240 272 D C 0.826 177.088 176.300 -0.064 0.000 1.236 272 D CA 1.258 55.166 54.000 -0.153 0.000 0.927 272 D CB 1.074 41.745 40.800 -0.216 0.000 1.150 272 D HN 0.503 nan 8.370 nan 0.000 0.458 273 T N -0.216 114.260 114.554 -0.131 0.000 2.876 273 T HA 0.555 4.904 4.350 -0.001 0.000 0.289 273 T C -0.516 174.152 174.700 -0.052 0.000 1.014 273 T CA -0.891 61.174 62.100 -0.057 0.000 0.986 273 T CB 0.566 69.409 68.868 -0.041 0.000 1.021 273 T HN 0.226 nan 8.240 nan 0.000 0.458 274 L N 3.418 124.626 121.223 -0.026 0.000 2.272 274 L HA 0.564 4.903 4.340 -0.001 0.000 0.289 274 L C 0.662 177.522 176.870 -0.016 0.000 1.032 274 L CA -0.664 54.166 54.840 -0.017 0.000 0.810 274 L CB 1.681 43.734 42.059 -0.011 0.000 1.205 274 L HN 0.818 nan 8.230 nan 0.000 0.422 275 T N 3.447 117.992 114.554 -0.016 0.000 2.926 275 T HA 0.589 4.938 4.350 -0.001 0.000 0.289 275 T C -0.298 174.394 174.700 -0.012 0.000 1.054 275 T CA -0.554 61.536 62.100 -0.016 0.000 1.015 275 T CB 1.131 69.987 68.868 -0.019 0.000 1.167 275 T HN 0.297 nan 8.240 nan 0.000 0.526 276 L N 2.469 123.684 121.223 -0.014 0.000 2.395 276 L HA 0.445 4.784 4.340 -0.001 0.000 0.269 276 L C 1.688 178.548 176.870 -0.017 0.000 1.133 276 L CA -0.590 54.241 54.840 -0.014 0.000 0.812 276 L CB 1.096 43.146 42.059 -0.016 0.000 1.125 276 L HN 0.934 nan 8.230 nan 0.000 0.452 277 A N 3.602 126.411 122.820 -0.018 0.000 1.898 277 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 277 A C 2.173 179.743 177.584 -0.022 0.000 1.181 277 A CA 1.293 53.316 52.037 -0.024 0.000 0.620 277 A CB -0.374 18.608 19.000 -0.030 0.000 0.819 277 A HN 0.906 nan 8.150 nan 0.000 0.442 278 R N -0.880 119.609 120.500 -0.020 0.000 2.189 278 R HA -0.056 4.284 4.340 -0.001 0.000 0.218 278 R C 0.023 176.313 176.300 -0.016 0.000 1.074 278 R CA 1.652 57.741 56.100 -0.018 0.000 0.991 278 R CB -0.324 29.966 30.300 -0.017 0.000 0.883 278 R HN 0.393 nan 8.270 nan 0.000 0.457 279 N N 1.381 120.071 118.700 -0.016 0.000 2.726 279 N HA 0.259 4.998 4.740 -0.001 0.000 0.253 279 N C -2.830 172.672 175.510 -0.014 0.000 1.530 279 N CA -2.204 50.838 53.050 -0.014 0.000 0.772 279 N CB 1.400 39.879 38.487 -0.013 0.000 1.220 279 N HN 0.047 nan 8.380 nan 0.000 0.508 280 P HA 0.212 nan 4.420 nan 0.000 0.276 280 P C -0.353 176.938 177.300 -0.014 0.000 1.230 280 P CA -0.329 62.761 63.100 -0.016 0.000 0.776 280 P CB 0.952 32.641 31.700 -0.019 0.000 0.888 281 A N 2.901 125.713 122.820 -0.014 0.000 2.511 281 A HA -0.023 4.296 4.320 -0.001 0.000 0.242 281 A C 1.559 179.137 177.584 -0.010 0.000 1.069 281 A CA -0.045 51.986 52.037 -0.011 0.000 0.763 281 A CB -0.387 18.606 19.000 -0.010 0.000 1.001 281 A HN 0.709 nan 8.150 nan 0.000 0.498 282 E N 1.364 121.560 120.200 -0.006 0.000 2.072 282 E HA -0.112 4.237 4.350 -0.001 0.000 0.191 282 E C 0.535 177.133 176.600 -0.004 0.000 0.985 282 E CA 1.201 57.599 56.400 -0.005 0.000 0.801 282 E CB 0.054 29.753 29.700 -0.002 0.000 0.750 282 E HN 0.593 nan 8.360 nan 0.000 0.452 283 K N -0.153 120.246 120.400 -0.001 0.000 2.376 283 K HA 0.453 4.772 4.320 -0.001 0.000 0.257 283 K C -1.349 175.251 176.600 0.000 0.000 0.939 283 K CA -0.539 55.750 56.287 0.003 0.000 0.809 283 K CB 1.753 34.259 32.500 0.010 0.000 1.121 283 K HN 0.094 nan 8.250 nan 0.000 0.425 284 A N 4.101 126.918 122.820 -0.005 0.000 2.445 284 A HA 0.214 4.533 4.320 -0.001 0.000 0.242 284 A C 0.007 177.599 177.584 0.014 0.000 1.075 284 A CA -0.338 51.690 52.037 -0.015 0.000 0.777 284 A CB 0.042 19.012 19.000 -0.049 0.000 1.013 284 A HN 0.828 nan 8.150 nan 0.000 0.493 285 L N 2.321 123.554 121.223 0.017 0.000 2.529 285 L HA 0.094 4.433 4.340 -0.001 0.000 0.287 285 L C -1.652 175.264 176.870 0.076 0.000 1.241 285 L CA -0.904 53.961 54.840 0.042 0.000 0.857 285 L CB -0.081 42.002 42.059 0.040 0.000 1.113 285 L HN 0.535 nan 8.230 nan 0.000 0.504 286 P HA 0.209 nan 4.420 nan 0.000 0.274 286 P C 0.491 177.869 177.300 0.131 0.000 1.231 286 P CA 0.062 63.219 63.100 0.096 0.000 0.790 286 P CB 0.982 32.724 31.700 0.071 0.000 0.951 287 G N 0.362 109.258 108.800 0.161 0.000 2.157 287 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.239 287 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.239 287 G C -0.112 174.960 174.900 0.286 0.000 0.982 287 G CA -0.374 44.843 45.100 0.195 0.000 0.650 287 G HN 0.559 nan 8.290 nan 0.000 0.527 288 F N 2.595 122.629 119.950 0.139 0.000 2.484 288 F HA 0.576 5.102 4.527 -0.001 0.000 0.360 288 F C 0.715 176.602 175.800 0.145 0.000 1.101 288 F CA 0.639 58.732 58.000 0.155 0.000 1.251 288 F CB 0.552 39.609 39.000 0.095 0.000 1.132 288 F HN 0.433 nan 8.300 nan 0.000 0.570 289 K N 3.645 123.557 120.400 -0.812 0.000 2.617 289 K HA 0.301 4.620 4.320 -0.001 0.000 0.293 289 K C -0.743 175.362 176.600 -0.825 0.000 1.034 289 K CA -1.073 54.746 56.287 -0.780 0.000 0.884 289 K CB 1.637 33.866 32.500 -0.453 0.000 1.541 289 K HN 0.421 nan 8.250 nan 0.000 0.409 290 K N 0.369 120.471 120.400 -0.496 0.000 2.005 290 K HA 0.136 4.455 4.320 -0.001 0.000 0.206 290 K C -0.084 176.344 176.600 -0.287 0.000 1.044 290 K CA 1.494 57.607 56.287 -0.290 0.000 0.942 290 K CB -0.174 32.232 32.500 -0.156 0.000 0.727 290 K HN 0.492 nan 8.250 nan 0.000 0.439 291 V N -0.131 119.577 119.914 -0.343 0.000 3.518 291 V HA -0.214 3.905 4.120 -0.001 0.000 0.504 291 V C -0.643 175.340 176.094 -0.184 0.000 0.682 291 V CA 1.187 63.281 62.300 -0.343 0.000 2.054 291 V CB -0.189 31.294 31.823 -0.568 0.000 2.484 291 V HN 0.610 nan 8.190 nan 0.000 0.508 292 K N 5.882 126.179 120.400 -0.172 0.000 2.495 292 K HA 0.843 5.162 4.320 -0.001 0.000 0.268 292 K C -3.109 173.406 176.600 -0.141 0.000 1.008 292 K CA -1.468 54.733 56.287 -0.143 0.000 0.882 292 K CB 3.271 35.675 32.500 -0.160 0.000 1.443 292 K HN 0.558 nan 8.250 nan 0.000 0.447 293 P HA 0.251 nan 4.420 nan 0.000 0.311 293 P C -0.526 176.699 177.300 -0.125 0.000 1.419 293 P CA -0.563 62.451 63.100 -0.143 0.000 1.121 293 P CB 2.748 34.315 31.700 -0.221 0.000 1.471 294 Q N 0.568 120.343 119.800 -0.043 0.000 1.937 294 Q HA 0.070 4.410 4.340 -0.001 0.000 0.198 294 Q C 0.366 176.516 176.000 0.250 0.000 0.977 294 Q CA 1.432 57.388 55.803 0.255 0.000 0.836 294 Q CB -0.486 28.509 28.738 0.429 0.000 0.899 294 Q HN 0.288 nan 8.270 nan 0.000 0.437 295 V N 1.532 121.546 119.914 0.167 0.000 2.614 295 V HA 0.039 4.158 4.120 -0.001 0.000 0.291 295 V C -0.580 175.562 176.094 0.081 0.000 1.049 295 V CA 0.193 62.618 62.300 0.210 0.000 1.038 295 V CB 0.091 32.063 31.823 0.247 0.000 0.980 295 V HN 0.193 nan 8.190 nan 0.000 0.481 296 Y N 2.131 122.582 120.300 0.251 0.000 2.485 296 Y HA 0.794 5.343 4.550 -0.002 0.000 0.345 296 Y C 0.238 176.305 175.900 0.278 0.000 0.998 296 Y CA -0.602 57.644 58.100 0.242 0.000 1.059 296 Y CB 2.240 40.803 38.460 0.172 0.000 1.234 296 Y HN 0.765 nan 8.280 nan 0.000 0.461 297 A N 0.794 123.883 122.820 0.449 0.000 2.604 297 A HA 0.709 5.028 4.320 -0.001 0.000 0.295 297 A C -0.839 176.934 177.584 0.316 0.000 1.067 297 A CA -0.395 51.867 52.037 0.375 0.000 0.683 297 A CB 0.907 20.127 19.000 0.366 0.000 1.281 297 A HN 0.930 nan 8.150 nan 0.000 0.407 298 G N 0.053 109.020 108.800 0.278 0.000 2.356 298 G HA2 0.577 4.537 3.960 -0.001 0.000 0.298 298 G HA3 0.577 4.537 3.960 -0.001 0.000 0.298 298 G C -0.867 174.040 174.900 0.012 0.000 1.145 298 G CA -0.353 44.827 45.100 0.133 0.000 0.850 298 G HN 0.680 nan 8.290 nan 0.000 0.487 299 L N 1.559 122.605 121.223 -0.294 0.000 2.376 299 L HA 0.531 4.870 4.340 -0.001 0.000 0.275 299 L C -1.158 175.529 176.870 -0.305 0.000 0.987 299 L CA -0.534 54.255 54.840 -0.085 0.000 0.828 299 L CB 1.754 43.955 42.059 0.236 0.000 1.249 299 L HN 0.405 nan 8.230 nan 0.000 0.409 300 F N 3.126 123.206 119.950 0.217 0.000 2.529 300 F HA 0.534 5.061 4.527 -0.001 0.000 0.320 300 F C -2.256 173.598 175.800 0.091 0.000 1.118 300 F CA -2.584 55.543 58.000 0.212 0.000 0.915 300 F CB 1.552 40.636 39.000 0.140 0.000 1.161 300 F HN 0.225 nan 8.300 nan 0.000 0.445 301 P HA 0.053 nan 4.420 nan 0.000 0.268 301 P C 0.844 178.232 177.300 0.147 0.000 1.205 301 P CA 0.022 63.205 63.100 0.137 0.000 0.771 301 P CB 0.923 32.760 31.700 0.230 0.000 0.858 302 V N 1.404 121.367 119.914 0.081 0.000 2.295 302 V HA -0.161 3.958 4.120 -0.001 0.000 0.246 302 V C 1.283 177.423 176.094 0.077 0.000 1.049 302 V CA 2.041 64.382 62.300 0.070 0.000 1.024 302 V CB -0.490 31.358 31.823 0.041 0.000 0.648 302 V HN 0.610 nan 8.190 nan 0.000 0.447 303 S N -0.520 115.229 115.700 0.082 0.000 2.433 303 S HA 0.235 4.704 4.470 -0.001 0.000 0.310 303 S C 1.331 176.010 174.600 0.132 0.000 1.097 303 S CA -0.031 58.223 58.200 0.089 0.000 1.103 303 S CB 1.507 64.749 63.200 0.070 0.000 0.992 303 S HN 0.559 nan 8.310 nan 0.000 0.469 304 S N 3.482 119.265 115.700 0.138 0.000 2.440 304 S HA -0.139 4.330 4.470 -0.001 0.000 0.238 304 S C 0.986 175.700 174.600 0.190 0.000 1.010 304 S CA 1.280 59.588 58.200 0.180 0.000 0.972 304 S CB -0.440 62.847 63.200 0.145 0.000 0.774 304 S HN 0.773 nan 8.310 nan 0.000 0.501 305 D N 1.884 122.368 120.400 0.140 0.000 2.264 305 D HA -0.015 4.624 4.640 -0.001 0.000 0.208 305 D C 1.159 177.549 176.300 0.148 0.000 0.966 305 D CA 0.826 54.903 54.000 0.127 0.000 0.864 305 D CB -0.392 40.461 40.800 0.087 0.000 0.933 305 D HN 0.434 nan 8.370 nan 0.000 0.499 306 D N -0.657 119.841 120.400 0.164 0.000 2.317 306 D HA -0.125 4.514 4.640 -0.001 0.000 0.211 306 D C 1.697 178.142 176.300 0.241 0.000 0.966 306 D CA 0.151 54.248 54.000 0.161 0.000 0.876 306 D CB -0.199 40.669 40.800 0.114 0.000 0.927 306 D HN 0.307 nan 8.370 nan 0.000 0.519 307 Y N 2.499 122.915 120.300 0.192 0.000 2.151 307 Y HA -0.274 4.276 4.550 -0.001 0.000 0.284 307 Y C 1.999 178.031 175.900 0.219 0.000 1.166 307 Y CA 1.704 59.960 58.100 0.260 0.000 1.163 307 Y CB 0.141 38.716 38.460 0.191 0.000 0.974 307 Y HN -0.115 nan 8.280 nan 0.000 0.511 308 E N 0.384 120.664 120.200 0.134 0.000 2.038 308 E HA -0.266 4.083 4.350 -0.001 0.000 0.195 308 E C 2.481 179.054 176.600 -0.045 0.000 1.000 308 E CA 1.330 57.739 56.400 0.015 0.000 0.803 308 E CB -0.970 28.775 29.700 0.075 0.000 0.750 308 E HN 0.583 nan 8.360 nan 0.000 0.448 309 A N 1.290 124.127 122.820 0.028 0.000 1.933 309 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 309 A C 2.042 179.627 177.584 0.002 0.000 1.175 309 A CA 1.279 53.330 52.037 0.022 0.000 0.628 309 A CB -0.709 18.333 19.000 0.069 0.000 0.814 309 A HN 0.241 nan 8.150 nan 0.000 0.444 310 F N 0.722 120.576 119.950 -0.160 0.000 2.146 310 F HA -0.096 4.430 4.527 -0.002 0.000 0.298 310 F C 2.258 177.807 175.800 -0.419 0.000 1.096 310 F CA 1.582 59.449 58.000 -0.221 0.000 1.275 310 F CB -0.653 38.310 39.000 -0.061 0.000 1.008 310 F HN 0.259 nan 8.300 nan 0.000 0.480 311 R N 0.206 120.411 120.500 -0.491 0.000 2.081 311 R HA -0.158 4.181 4.340 -0.001 0.000 0.235 311 R C 1.856 177.833 176.300 -0.540 0.000 1.131 311 R CA 1.988 57.671 56.100 -0.696 0.000 0.960 311 R CB -0.419 29.633 30.300 -0.414 0.000 0.856 311 R HN 0.202 nan 8.270 nan 0.000 0.436 312 D N 0.001 120.197 120.400 -0.340 0.000 2.183 312 D HA -0.077 4.562 4.640 -0.001 0.000 0.203 312 D C 1.627 177.715 176.300 -0.353 0.000 0.969 312 D CA 1.283 55.126 54.000 -0.261 0.000 0.842 312 D CB -0.083 40.630 40.800 -0.146 0.000 0.957 312 D HN 0.385 nan 8.370 nan 0.000 0.484 313 A N 0.583 123.117 122.820 -0.477 0.000 1.929 313 A HA -0.052 4.267 4.320 -0.001 0.000 0.216 313 A C 2.338 179.499 177.584 -0.705 0.000 1.176 313 A CA 0.610 52.157 52.037 -0.816 0.000 0.628 313 A CB -0.638 17.792 19.000 -0.950 0.000 0.816 313 A HN 0.163 nan 8.150 nan 0.000 0.444 314 L N -0.602 120.176 121.223 -0.742 0.000 2.046 314 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 314 L C 2.842 179.335 176.870 -0.629 0.000 1.077 314 L CA 1.093 55.374 54.840 -0.932 0.000 0.747 314 L CB -0.755 40.202 42.059 -1.837 0.000 0.896 314 L HN 0.486 nan 8.230 nan 0.000 0.432 315 G N -0.067 108.459 108.800 -0.458 0.000 2.440 315 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.218 315 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.218 315 G C 1.682 176.522 174.900 -0.099 0.000 1.154 315 G CA 0.771 45.776 45.100 -0.159 0.000 0.767 315 G HN 0.298 nan 8.290 nan 0.000 0.552 316 K N -0.583 119.722 120.400 -0.158 0.000 2.026 316 K HA -0.001 4.318 4.320 -0.001 0.000 0.208 316 K C 2.406 179.001 176.600 -0.009 0.000 1.048 316 K CA 0.803 57.053 56.287 -0.062 0.000 0.929 316 K CB -0.299 32.178 32.500 -0.038 0.000 0.713 316 K HN 0.134 nan 8.250 nan 0.000 0.439 317 L N 0.967 122.151 121.223 -0.065 0.000 2.127 317 L HA -0.148 4.191 4.340 -0.001 0.000 0.211 317 L C 2.266 179.164 176.870 0.047 0.000 1.089 317 L CA 1.547 56.389 54.840 0.003 0.000 0.757 317 L CB -0.825 41.205 42.059 -0.048 0.000 0.899 317 L HN 0.064 nan 8.230 nan 0.000 0.434 318 S N -1.139 114.589 115.700 0.048 0.000 2.453 318 S HA -0.021 4.448 4.470 -0.001 0.000 0.231 318 S C 1.910 176.635 174.600 0.208 0.000 1.005 318 S CA 0.485 58.772 58.200 0.146 0.000 0.949 318 S CB -0.142 63.178 63.200 0.201 0.000 0.774 318 S HN 0.351 nan 8.310 nan 0.000 0.510 319 L N 0.623 121.945 121.223 0.166 0.000 2.275 319 L HA -0.008 4.331 4.340 -0.001 0.000 0.215 319 L C 1.395 178.193 176.870 -0.120 0.000 1.119 319 L CA 1.055 55.941 54.840 0.077 0.000 0.790 319 L CB -0.303 41.791 42.059 0.060 0.000 0.919 319 L HN 0.273 nan 8.230 nan 0.000 0.443 320 N N -2.260 116.449 118.700 0.015 0.000 2.159 320 N HA 0.026 4.765 4.740 -0.001 0.000 0.217 320 N C -0.261 175.295 175.510 0.077 0.000 1.223 320 N CA -0.068 53.000 53.050 0.029 0.000 0.896 320 N CB 0.847 39.367 38.487 0.054 0.000 1.064 320 N HN 0.012 nan 8.380 nan 0.000 0.518 321 D N 0.344 120.812 120.400 0.112 0.000 2.441 321 D HA 0.324 4.963 4.640 -0.001 0.000 0.231 321 D C 0.322 176.719 176.300 0.162 0.000 1.073 321 D CA -0.258 53.838 54.000 0.160 0.000 0.850 321 D CB 1.521 42.444 40.800 0.205 0.000 1.062 321 D HN 0.151 nan 8.370 nan 0.000 0.524 322 A N 2.372 125.276 122.820 0.140 0.000 2.016 322 A HA -0.077 4.242 4.320 -0.001 0.000 0.217 322 A C 1.696 179.333 177.584 0.088 0.000 1.162 322 A CA 1.127 53.230 52.037 0.109 0.000 0.662 322 A CB 0.119 19.169 19.000 0.082 0.000 0.812 322 A HN 0.498 nan 8.150 nan 0.000 0.450 323 S N -1.064 114.701 115.700 0.108 0.000 2.524 323 S HA 0.316 4.786 4.470 -0.001 0.000 0.215 323 S C 0.459 175.160 174.600 0.168 0.000 0.986 323 S CA -0.433 57.811 58.200 0.074 0.000 0.911 323 S CB -0.410 62.784 63.200 -0.011 0.000 0.805 323 S HN 0.409 nan 8.310 nan 0.000 0.501 324 L N 2.665 124.043 121.223 0.257 0.000 2.477 324 L HA 0.367 4.706 4.340 -0.001 0.000 0.272 324 L C -0.779 176.189 176.870 0.162 0.000 1.157 324 L CA -0.310 54.666 54.840 0.227 0.000 0.889 324 L CB 0.413 42.595 42.059 0.205 0.000 1.158 324 L HN 0.355 nan 8.230 nan 0.000 0.473 325 F N 7.022 126.910 119.950 -0.103 0.000 2.495 325 F HA 0.572 5.098 4.527 -0.001 0.000 0.327 325 F C -0.941 174.821 175.800 -0.063 0.000 1.103 325 F CA -0.661 57.274 58.000 -0.108 0.000 0.949 325 F CB 1.176 40.103 39.000 -0.122 0.000 1.142 325 F HN 0.389 nan 8.300 nan 0.000 0.457 326 Y N 3.050 122.782 120.300 -0.946 0.000 2.544 326 Y HA 0.665 5.214 4.550 -0.002 0.000 0.342 326 Y C -1.686 173.727 175.900 -0.812 0.000 1.062 326 Y CA -1.254 56.355 58.100 -0.818 0.000 1.023 326 Y CB 1.362 39.492 38.460 -0.550 0.000 1.308 326 Y HN 0.748 nan 8.280 nan 0.000 0.457 327 E N 4.079 124.087 120.200 -0.321 0.000 2.352 327 E HA 0.469 4.818 4.350 -0.001 0.000 0.280 327 E C -3.303 173.406 176.600 0.183 0.000 0.930 327 E CA -2.503 53.804 56.400 -0.155 0.000 0.765 327 E CB 3.170 32.733 29.700 -0.229 0.000 1.219 327 E HN 0.431 nan 8.360 nan 0.000 0.434 328 P HA 0.117 nan 4.420 nan 0.000 0.271 328 P C -0.922 176.390 177.300 0.020 0.000 1.218 328 P CA 0.213 63.325 63.100 0.019 0.000 0.780 328 P CB 0.902 32.634 31.700 0.053 0.000 0.901 329 E N 0.637 120.826 120.200 -0.018 0.000 2.372 329 E HA 0.437 4.786 4.350 -0.001 0.000 0.279 329 E C -1.448 175.250 176.600 0.163 0.000 0.946 329 E CA -0.645 55.818 56.400 0.105 0.000 0.769 329 E CB 1.825 31.631 29.700 0.178 0.000 1.230 329 E HN 0.473 nan 8.360 nan 0.000 0.442 330 S N 1.454 117.205 115.700 0.084 0.000 2.548 330 S HA 0.770 5.239 4.470 -0.001 0.000 0.286 330 S C -0.925 173.582 174.600 -0.156 0.000 1.098 330 S CA -0.601 57.533 58.200 -0.109 0.000 0.930 330 S CB 1.944 64.895 63.200 -0.415 0.000 1.070 330 S HN 0.268 nan 8.310 nan 0.000 0.480 331 S N 1.342 116.869 115.700 -0.288 0.000 2.600 331 S HA 0.514 4.983 4.470 -0.001 0.000 0.300 331 S C 1.083 175.503 174.600 -0.299 0.000 1.087 331 S CA -0.715 57.316 58.200 -0.283 0.000 0.965 331 S CB 1.826 64.801 63.200 -0.375 0.000 1.089 331 S HN 0.829 nan 8.310 nan 0.000 0.496 332 S N 1.652 117.223 115.700 -0.215 0.000 2.356 332 S HA -0.104 4.365 4.470 -0.001 0.000 0.223 332 S C 1.924 176.421 174.600 -0.172 0.000 1.032 332 S CA 1.001 59.093 58.200 -0.179 0.000 1.005 332 S CB -0.581 62.547 63.200 -0.120 0.000 0.867 332 S HN 0.787 nan 8.310 nan 0.000 0.449 333 A N 1.412 124.130 122.820 -0.171 0.000 1.874 333 A HA 0.293 4.612 4.320 -0.001 0.000 0.214 333 A C 2.189 179.665 177.584 -0.179 0.000 1.189 333 A CA 0.787 52.735 52.037 -0.148 0.000 0.615 333 A CB -0.630 18.291 19.000 -0.131 0.000 0.830 333 A HN 0.420 nan 8.150 nan 0.000 0.443 334 L N -1.513 119.539 121.223 -0.286 0.000 2.270 334 L HA 0.288 4.627 4.340 -0.001 0.000 0.210 334 L C 1.432 178.158 176.870 -0.239 0.000 1.104 334 L CA 0.569 55.196 54.840 -0.356 0.000 0.804 334 L CB -0.491 41.092 42.059 -0.794 0.000 0.937 334 L HN 0.689 nan 8.230 nan 0.000 0.450 335 G N -0.571 108.072 108.800 -0.262 0.000 2.526 335 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.250 335 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.250 335 G C -0.750 174.039 174.900 -0.185 0.000 1.289 335 G CA -0.850 44.133 45.100 -0.195 0.000 0.947 335 G HN -0.088 nan 8.290 nan 0.000 0.517 336 F N 1.990 121.949 119.950 0.015 0.000 2.424 336 F HA 0.593 5.119 4.527 -0.002 0.000 0.356 336 F C 1.279 177.191 175.800 0.187 0.000 1.110 336 F CA 1.181 59.137 58.000 -0.073 0.000 1.161 336 F CB 1.433 40.088 39.000 -0.575 0.000 1.115 336 F HN 0.892 nan 8.300 nan 0.000 0.507 337 G N 2.150 111.155 108.800 0.343 0.000 2.947 337 G HA2 0.696 4.655 3.960 -0.001 0.000 0.293 337 G HA3 0.696 4.655 3.960 -0.001 0.000 0.293 337 G C -2.002 172.612 174.900 -0.477 0.000 1.243 337 G CA -0.656 44.499 45.100 0.091 0.000 0.802 337 G HN 0.249 nan 8.290 nan 0.000 0.560 338 F N -0.008 119.822 119.950 -0.200 0.000 2.561 338 F HA 0.583 5.109 4.527 -0.001 0.000 0.313 338 F C 0.330 176.023 175.800 -0.178 0.000 1.126 338 F CA -0.726 57.172 58.000 -0.169 0.000 0.918 338 F CB 2.510 41.325 39.000 -0.308 0.000 1.199 338 F HN 0.245 nan 8.300 nan 0.000 0.444 339 R N 2.532 123.096 120.500 0.106 0.000 2.265 339 R HA 0.639 4.979 4.340 -0.001 0.000 0.314 339 R C -1.516 174.859 176.300 0.125 0.000 1.053 339 R CA -0.077 56.107 56.100 0.140 0.000 0.931 339 R CB 0.499 30.915 30.300 0.193 0.000 1.024 339 R HN 0.783 nan 8.270 nan 0.000 0.457 340 C N 2.960 122.341 119.300 0.135 0.000 2.455 340 C HA 0.622 5.081 4.460 -0.001 0.000 0.320 340 C C 0.477 175.320 174.990 -0.245 0.000 1.226 340 C CA -0.700 58.255 59.018 -0.105 0.000 1.569 340 C CB 1.530 29.150 27.740 -0.200 0.000 2.200 340 C HN 0.947 nan 8.230 nan 0.000 0.491 341 G N 1.573 110.145 108.800 -0.380 0.000 2.388 341 G HA2 0.782 4.741 3.960 -0.001 0.000 0.330 341 G HA3 0.782 4.741 3.960 -0.001 0.000 0.330 341 G C -1.279 173.135 174.900 -0.811 0.000 1.142 341 G CA -0.050 44.664 45.100 -0.643 0.000 0.908 341 G HN 0.507 nan 8.290 nan 0.000 0.473 342 F N 0.084 119.978 119.950 -0.093 0.000 2.613 342 F HA 0.393 4.919 4.527 -0.002 0.000 0.314 342 F C 1.110 176.963 175.800 0.088 0.000 1.075 342 F CA -0.941 57.163 58.000 0.173 0.000 0.945 342 F CB 2.032 41.110 39.000 0.130 0.000 1.310 342 F HN 0.278 nan 8.300 nan 0.000 0.467 343 L N 1.011 122.431 121.223 0.328 0.000 2.093 343 L HA 0.180 4.520 4.340 -0.001 0.000 0.208 343 L C 1.170 177.961 176.870 -0.132 0.000 1.085 343 L CA 1.402 56.200 54.840 -0.069 0.000 0.755 343 L CB -0.497 41.361 42.059 -0.334 0.000 0.904 343 L HN 0.851 nan 8.230 nan 0.000 0.435 344 G N -2.641 106.145 108.800 -0.025 0.000 2.435 344 G HA2 0.186 4.146 3.960 -0.001 0.000 0.296 344 G HA3 0.186 4.146 3.960 -0.001 0.000 0.296 344 G C -0.055 174.973 174.900 0.215 0.000 1.240 344 G CA -0.579 44.410 45.100 -0.185 0.000 0.872 344 G HN -0.160 nan 8.290 nan 0.000 0.480 345 L N 0.640 122.282 121.223 0.699 0.000 1.976 345 L HA -0.031 4.308 4.340 -0.001 0.000 0.209 345 L C 2.919 179.811 176.870 0.036 0.000 1.071 345 L CA 1.577 56.592 54.840 0.292 0.000 0.746 345 L CB -0.350 41.789 42.059 0.133 0.000 0.890 345 L HN 0.555 nan 8.230 nan 0.000 0.432 346 L N -2.554 118.653 121.223 -0.026 0.000 2.291 346 L HA -0.165 4.174 4.340 -0.001 0.000 0.214 346 L C 2.311 179.191 176.870 0.017 0.000 1.120 346 L CA 1.673 56.455 54.840 -0.097 0.000 0.799 346 L CB -2.326 39.600 42.059 -0.221 0.000 0.925 346 L HN 0.298 nan 8.230 nan 0.000 0.446 347 H N 0.815 119.826 119.070 -0.099 0.000 2.293 347 H HA -0.176 4.379 4.556 -0.001 0.000 0.300 347 H C 2.378 177.668 175.328 -0.064 0.000 1.082 347 H CA 2.529 58.608 56.048 0.053 0.000 1.308 347 H CB -0.138 29.665 29.762 0.068 0.000 1.375 347 H HN 0.296 nan 8.280 nan 0.000 0.495 348 M N 0.020 119.368 119.600 -0.420 0.000 2.108 348 M HA -0.178 4.301 4.480 -0.001 0.000 0.261 348 M C 1.827 177.802 176.300 -0.541 0.000 1.066 348 M CA 2.106 56.744 55.300 -1.103 0.000 1.107 348 M CB -0.017 31.967 32.600 -1.026 0.000 1.356 348 M HN 0.392 nan 8.290 nan 0.000 0.406 349 E N 0.121 120.163 120.200 -0.265 0.000 2.208 349 E HA -0.125 4.224 4.350 -0.001 0.000 0.193 349 E C 1.865 178.411 176.600 -0.089 0.000 0.988 349 E CA 1.166 57.476 56.400 -0.150 0.000 0.828 349 E CB -0.084 29.557 29.700 -0.099 0.000 0.763 349 E HN 0.581 nan 8.360 nan 0.000 0.478 350 I N 0.679 121.222 120.570 -0.044 0.000 2.163 350 I HA -0.279 3.890 4.170 -0.001 0.000 0.240 350 I C 2.216 178.325 176.117 -0.012 0.000 1.081 350 I CA 1.078 62.387 61.300 0.015 0.000 1.353 350 I CB -0.113 37.964 38.000 0.128 0.000 1.054 350 I HN 0.090 nan 8.210 nan 0.000 0.407 351 I N 0.199 120.734 120.570 -0.058 0.000 2.163 351 I HA -0.347 3.822 4.170 -0.001 0.000 0.243 351 I C 2.639 178.754 176.117 -0.004 0.000 1.085 351 I CA 1.561 62.853 61.300 -0.014 0.000 1.347 351 I CB -0.368 37.640 38.000 0.014 0.000 1.044 351 I HN 0.272 nan 8.210 nan 0.000 0.408 352 Q N 0.017 119.775 119.800 -0.071 0.000 2.061 352 Q HA -0.273 4.066 4.340 -0.001 0.000 0.204 352 Q C 2.299 178.285 176.000 -0.024 0.000 0.984 352 Q CA 1.660 57.433 55.803 -0.050 0.000 0.846 352 Q CB -0.201 28.482 28.738 -0.092 0.000 0.902 352 Q HN 0.403 nan 8.270 nan 0.000 0.421 353 E N 0.579 120.762 120.200 -0.029 0.000 2.110 353 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 353 E C 1.927 178.526 176.600 -0.003 0.000 0.988 353 E CA 0.979 57.367 56.400 -0.020 0.000 0.804 353 E CB 0.092 29.778 29.700 -0.024 0.000 0.745 353 E HN 0.155 nan 8.360 nan 0.000 0.458 354 R N -0.381 120.132 120.500 0.022 0.000 2.073 354 R HA -0.071 4.268 4.340 -0.001 0.000 0.229 354 R C 2.404 178.790 176.300 0.143 0.000 1.120 354 R CA 0.536 56.668 56.100 0.054 0.000 0.967 354 R CB -0.117 30.237 30.300 0.090 0.000 0.862 354 R HN 0.083 nan 8.270 nan 0.000 0.436 355 L N 1.289 122.610 121.223 0.164 0.000 2.083 355 L HA -0.144 4.195 4.340 -0.001 0.000 0.209 355 L C 2.200 179.132 176.870 0.104 0.000 1.083 355 L CA 1.809 56.764 54.840 0.192 0.000 0.752 355 L CB -0.832 41.264 42.059 0.062 0.000 0.899 355 L HN 0.313 nan 8.230 nan 0.000 0.433 356 E N -0.916 119.303 120.200 0.031 0.000 2.072 356 E HA -0.172 4.177 4.350 -0.001 0.000 0.190 356 E C 2.260 178.857 176.600 -0.006 0.000 0.982 356 E CA 0.909 57.308 56.400 -0.002 0.000 0.803 356 E CB 0.215 29.905 29.700 -0.017 0.000 0.755 356 E HN 0.417 nan 8.360 nan 0.000 0.453 357 R N -0.071 120.417 120.500 -0.021 0.000 2.051 357 R HA 0.053 4.392 4.340 -0.001 0.000 0.218 357 R C 2.427 178.665 176.300 -0.102 0.000 1.188 357 R CA 0.769 56.837 56.100 -0.053 0.000 0.992 357 R CB -0.223 30.043 30.300 -0.056 0.000 0.883 357 R HN 0.120 nan 8.270 nan 0.000 0.444 358 E N 0.067 120.157 120.200 -0.183 0.000 2.051 358 E HA -0.187 4.162 4.350 -0.001 0.000 0.192 358 E C 1.327 177.642 176.600 -0.474 0.000 0.991 358 E CA 1.490 57.650 56.400 -0.400 0.000 0.799 358 E CB 0.032 29.342 29.700 -0.649 0.000 0.748 358 E HN 0.355 nan 8.360 nan 0.000 0.449 359 Y N -0.168 120.120 120.300 -0.020 0.000 2.462 359 Y HA 0.085 4.634 4.550 -0.002 0.000 0.261 359 Y C 0.231 176.121 175.900 -0.018 0.000 1.146 359 Y CA 0.054 58.145 58.100 -0.015 0.000 1.283 359 Y CB 0.475 38.930 38.460 -0.009 0.000 1.090 359 Y HN -0.110 nan 8.280 nan 0.000 0.526 360 D N 1.140 121.577 120.400 0.061 0.000 2.746 360 D HA -0.193 4.446 4.640 -0.001 0.000 0.241 360 D C -1.150 175.169 176.300 0.032 0.000 1.140 360 D CA 0.595 54.611 54.000 0.027 0.000 0.707 360 D CB -1.047 39.761 40.800 0.014 0.000 1.034 360 D HN 0.301 nan 8.370 nan 0.000 0.423 361 L N 1.564 122.797 121.223 0.016 0.000 2.342 361 L HA 0.341 4.680 4.340 -0.001 0.000 0.276 361 L C 0.105 176.936 176.870 -0.065 0.000 0.997 361 L CA -0.993 53.827 54.840 -0.034 0.000 0.838 361 L CB 1.588 43.592 42.059 -0.092 0.000 1.224 361 L HN -0.159 nan 8.230 nan 0.000 0.416 362 D N 4.879 125.252 120.400 -0.044 0.000 2.338 362 D HA 0.397 5.036 4.640 -0.001 0.000 0.255 362 D C -0.432 175.831 176.300 -0.062 0.000 1.237 362 D CA 0.489 54.466 54.000 -0.038 0.000 0.883 362 D CB 0.843 41.637 40.800 -0.010 0.000 1.087 362 D HN 0.241 nan 8.370 nan 0.000 0.485 363 L N 3.171 124.348 121.223 -0.078 0.000 2.365 363 L HA 0.423 4.762 4.340 -0.001 0.000 0.273 363 L C -0.229 176.638 176.870 -0.005 0.000 1.000 363 L CA -1.095 53.687 54.840 -0.097 0.000 0.819 363 L CB 2.014 43.935 42.059 -0.231 0.000 1.284 363 L HN 0.086 nan 8.230 nan 0.000 0.418 364 I N 1.705 122.314 120.570 0.065 0.000 2.395 364 I HA 0.252 4.422 4.170 -0.001 0.000 0.289 364 I C 0.440 176.671 176.117 0.190 0.000 1.023 364 I CA 0.194 61.573 61.300 0.132 0.000 1.350 364 I CB 1.255 39.359 38.000 0.174 0.000 1.409 364 I HN 0.519 nan 8.210 nan 0.000 0.507 365 T N 5.475 120.127 114.554 0.164 0.000 2.937 365 T HA 0.513 4.863 4.350 -0.001 0.000 0.297 365 T C -0.173 174.641 174.700 0.190 0.000 0.991 365 T CA -0.329 61.879 62.100 0.180 0.000 0.990 365 T CB 0.588 69.520 68.868 0.107 0.000 0.991 365 T HN 0.670 nan 8.240 nan 0.000 0.440 366 T N 3.295 118.000 114.554 0.252 0.000 2.881 366 T HA 0.733 5.082 4.350 -0.001 0.000 0.278 366 T C 0.415 175.232 174.700 0.194 0.000 0.982 366 T CA -0.756 61.483 62.100 0.233 0.000 0.989 366 T CB 1.164 70.225 68.868 0.321 0.000 1.058 366 T HN 0.876 nan 8.240 nan 0.000 0.529 367 A N 2.115 125.032 122.820 0.162 0.000 2.354 367 A HA 0.609 4.928 4.320 -0.001 0.000 0.269 367 A C -2.530 175.159 177.584 0.174 0.000 1.109 367 A CA -1.647 50.478 52.037 0.147 0.000 0.800 367 A CB -0.295 18.776 19.000 0.119 0.000 1.045 367 A HN 0.482 nan 8.150 nan 0.000 0.489 368 P HA 0.472 nan 4.420 nan 0.000 0.275 368 P C -0.059 177.357 177.300 0.194 0.000 1.228 368 P CA 0.211 63.444 63.100 0.221 0.000 0.786 368 P CB 1.378 33.230 31.700 0.253 0.000 0.927 369 T N -0.009 114.665 114.554 0.200 0.000 2.630 369 T HA 0.541 4.890 4.350 -0.001 0.000 0.300 369 T C -0.897 173.847 174.700 0.074 0.000 1.261 369 T CA -0.362 61.826 62.100 0.146 0.000 1.060 369 T CB 0.831 69.801 68.868 0.170 0.000 1.670 369 T HN 0.265 nan 8.240 nan 0.000 0.473 370 V N 0.380 120.260 119.914 -0.057 0.000 3.130 370 V HA 0.779 4.899 4.120 -0.001 0.000 0.308 370 V C -1.054 174.727 176.094 -0.521 0.000 1.413 370 V CA -0.548 61.607 62.300 -0.242 0.000 1.053 370 V CB 1.979 33.681 31.823 -0.202 0.000 1.075 370 V HN 0.969 nan 8.190 nan 0.000 0.465 371 V N 0.306 119.924 119.914 -0.494 0.000 3.214 371 V HA 0.673 4.792 4.120 -0.001 0.000 0.306 371 V C -0.756 174.952 176.094 -0.643 0.000 1.078 371 V CA 0.028 62.068 62.300 -0.434 0.000 1.077 371 V CB 1.048 32.777 31.823 -0.157 0.000 1.121 371 V HN 0.771 nan 8.190 nan 0.000 0.468 372 Y N -0.793 119.606 120.300 0.165 0.000 2.705 372 Y HA 0.668 5.217 4.550 -0.002 0.000 0.332 372 Y C -0.161 175.691 175.900 -0.080 0.000 1.157 372 Y CA -0.985 57.202 58.100 0.145 0.000 1.091 372 Y CB 1.645 40.136 38.460 0.052 0.000 1.301 372 Y HN 0.791 nan 8.280 nan 0.000 0.488 373 E N 1.182 121.184 120.200 -0.330 0.000 2.182 373 E HA 0.642 4.991 4.350 -0.001 0.000 0.258 373 E C -2.101 174.236 176.600 -0.438 0.000 0.879 373 E CA -0.525 55.383 56.400 -0.820 0.000 0.754 373 E CB 1.202 30.071 29.700 -1.385 0.000 1.162 373 E HN 0.434 nan 8.360 nan 0.000 0.419 374 V N 3.951 123.620 119.914 -0.408 0.000 2.495 374 V HA 0.347 4.466 4.120 -0.001 0.000 0.298 374 V C -0.277 175.707 176.094 -0.184 0.000 1.031 374 V CA -0.845 61.325 62.300 -0.216 0.000 0.871 374 V CB 1.578 33.318 31.823 -0.139 0.000 0.988 374 V HN 0.740 nan 8.190 nan 0.000 0.432 375 E N 2.641 122.790 120.200 -0.086 0.000 2.133 375 E HA 0.436 4.785 4.350 -0.001 0.000 0.274 375 E C -0.267 176.359 176.600 0.043 0.000 0.930 375 E CA -0.427 55.966 56.400 -0.012 0.000 0.770 375 E CB 1.200 30.947 29.700 0.078 0.000 1.104 375 E HN 0.775 nan 8.360 nan 0.000 0.403 376 T N 2.823 117.383 114.554 0.010 0.000 2.860 376 T HA -0.059 4.290 4.350 -0.001 0.000 0.299 376 T C 1.310 176.037 174.700 0.046 0.000 1.045 376 T CA -0.008 62.104 62.100 0.020 0.000 1.071 376 T CB 1.251 70.114 68.868 -0.009 0.000 0.985 376 T HN 0.652 nan 8.240 nan 0.000 0.537 377 T N 0.908 115.493 114.554 0.052 0.000 2.720 377 T HA -0.125 4.225 4.350 -0.001 0.000 0.268 377 T C 1.366 176.045 174.700 -0.035 0.000 1.037 377 T CA 1.528 63.650 62.100 0.036 0.000 1.144 377 T CB -0.293 68.601 68.868 0.043 0.000 0.864 377 T HN 0.524 nan 8.240 nan 0.000 0.444 378 S N 1.988 117.672 115.700 -0.027 0.000 3.065 378 S HA 0.252 4.721 4.470 -0.001 0.000 0.311 378 S C 0.069 174.639 174.600 -0.050 0.000 1.204 378 S CA -0.600 57.576 58.200 -0.040 0.000 1.040 378 S CB -0.584 62.601 63.200 -0.026 0.000 1.436 378 S HN 0.396 nan 8.310 nan 0.000 0.532 379 R N 3.727 124.177 120.500 -0.084 0.000 2.614 379 R HA -0.028 4.311 4.340 -0.001 0.000 0.335 379 R C 0.384 176.651 176.300 -0.056 0.000 0.859 379 R CA 0.846 56.890 56.100 -0.093 0.000 1.123 379 R CB -0.289 29.929 30.300 -0.137 0.000 0.887 379 R HN 0.801 nan 8.270 nan 0.000 0.407 380 E N 0.005 120.179 120.200 -0.044 0.000 2.392 380 E HA 0.179 4.528 4.350 -0.001 0.000 0.281 380 E C -1.604 174.964 176.600 -0.053 0.000 1.088 380 E CA -0.990 55.388 56.400 -0.036 0.000 0.850 380 E CB 0.914 30.599 29.700 -0.025 0.000 1.267 380 E HN 0.129 nan 8.360 nan 0.000 0.438 381 V N 2.050 121.927 119.914 -0.061 0.000 2.394 381 V HA 0.565 4.684 4.120 -0.001 0.000 0.282 381 V C 0.340 176.342 176.094 -0.153 0.000 1.031 381 V CA -0.485 61.727 62.300 -0.146 0.000 0.881 381 V CB 0.270 32.004 31.823 -0.149 0.000 0.982 381 V HN 0.652 nan 8.190 nan 0.000 0.451 382 I N 1.422 121.839 120.570 -0.254 0.000 2.892 382 I HA 0.751 4.920 4.170 -0.001 0.000 0.306 382 I C -1.580 174.314 176.117 -0.371 0.000 1.078 382 I CA -1.020 60.181 61.300 -0.165 0.000 1.032 382 I CB 2.389 40.356 38.000 -0.056 0.000 1.229 382 I HN 0.419 nan 8.210 nan 0.000 0.435 383 Y N 3.099 123.369 120.300 -0.049 0.000 2.364 383 Y HA 0.654 5.203 4.550 -0.002 0.000 0.340 383 Y C -0.389 175.505 175.900 -0.010 0.000 0.975 383 Y CA -0.960 57.108 58.100 -0.053 0.000 1.089 383 Y CB 2.244 40.664 38.460 -0.066 0.000 1.192 383 Y HN 0.300 nan 8.280 nan 0.000 0.454 384 V N 4.255 124.251 119.914 0.137 0.000 2.328 384 V HA 0.162 4.282 4.120 -0.001 0.000 0.278 384 V C -0.080 176.089 176.094 0.125 0.000 1.021 384 V CA -0.637 61.736 62.300 0.123 0.000 0.838 384 V CB 1.165 33.062 31.823 0.125 0.000 0.999 384 V HN 0.830 nan 8.190 nan 0.000 0.447 385 D N 2.493 122.948 120.400 0.092 0.000 2.084 385 D HA -0.038 4.601 4.640 -0.001 0.000 0.199 385 D C 1.268 177.619 176.300 0.086 0.000 0.981 385 D CA 1.421 55.461 54.000 0.067 0.000 0.841 385 D CB 0.119 40.957 40.800 0.063 0.000 0.997 385 D HN 0.657 nan 8.370 nan 0.000 0.454 386 S N 0.182 115.936 115.700 0.090 0.000 2.462 386 S HA 0.390 4.859 4.470 -0.001 0.000 0.294 386 S C -2.201 172.454 174.600 0.091 0.000 1.144 386 S CA -1.316 56.940 58.200 0.094 0.000 1.088 386 S CB 2.554 65.800 63.200 0.077 0.000 1.009 386 S HN -0.243 nan 8.310 nan 0.000 0.484 387 P HA -0.142 nan 4.420 nan 0.000 0.218 387 P C 1.544 178.868 177.300 0.039 0.000 1.146 387 P CA 1.420 64.569 63.100 0.081 0.000 0.813 387 P CB -0.112 31.637 31.700 0.082 0.000 0.778 388 S N -1.226 114.491 115.700 0.029 0.000 2.507 388 S HA -0.046 4.424 4.470 -0.001 0.000 0.235 388 S C 1.470 176.075 174.600 0.008 0.000 0.988 388 S CA 0.794 58.997 58.200 0.005 0.000 0.944 388 S CB -0.691 62.503 63.200 -0.010 0.000 0.762 388 S HN 0.205 nan 8.310 nan 0.000 0.526 389 K N 0.189 120.603 120.400 0.023 0.000 2.373 389 K HA 0.344 4.663 4.320 -0.001 0.000 0.202 389 K C -0.255 176.356 176.600 0.018 0.000 1.025 389 K CA -0.362 55.938 56.287 0.021 0.000 1.115 389 K CB 0.183 32.702 32.500 0.032 0.000 0.858 389 K HN 0.292 nan 8.250 nan 0.000 0.525 390 L N 3.328 124.560 121.223 0.015 0.000 2.455 390 L HA 0.100 4.439 4.340 -0.001 0.000 0.272 390 L C -2.040 174.824 176.870 -0.009 0.000 1.174 390 L CA -1.449 53.392 54.840 0.002 0.000 0.869 390 L CB 0.094 42.148 42.059 -0.008 0.000 1.130 390 L HN -0.011 nan 8.230 nan 0.000 0.474 391 P HA 0.074 nan 4.420 nan 0.000 0.269 391 P C -0.925 176.364 177.300 -0.017 0.000 1.217 391 P CA -0.367 62.724 63.100 -0.015 0.000 0.783 391 P CB 0.297 31.987 31.700 -0.017 0.000 0.898 392 A N 2.054 124.865 122.820 -0.014 0.000 2.520 392 A HA 0.072 4.391 4.320 -0.001 0.000 0.235 392 A C 1.732 179.308 177.584 -0.014 0.000 1.065 392 A CA -0.265 51.763 52.037 -0.014 0.000 0.764 392 A CB -0.379 18.614 19.000 -0.012 0.000 1.002 392 A HN 0.394 nan 8.150 nan 0.000 0.502 393 V N 2.460 122.365 119.914 -0.015 0.000 2.317 393 V HA -0.354 3.765 4.120 -0.001 0.000 0.251 393 V C 2.049 178.140 176.094 -0.005 0.000 1.065 393 V CA 2.730 65.021 62.300 -0.015 0.000 1.049 393 V CB -1.357 30.461 31.823 -0.008 0.000 0.651 393 V HN 0.954 nan 8.190 nan 0.000 0.450 394 N N 0.933 119.634 118.700 0.001 0.000 2.289 394 N HA -0.120 4.619 4.740 -0.001 0.000 0.184 394 N C 1.379 176.898 175.510 0.015 0.000 1.016 394 N CA 1.299 54.354 53.050 0.009 0.000 0.872 394 N CB -0.429 38.061 38.487 0.004 0.000 0.973 394 N HN 0.537 nan 8.380 nan 0.000 0.433 395 N N 0.237 118.942 118.700 0.008 0.000 2.412 395 N HA 0.095 4.834 4.740 -0.001 0.000 0.184 395 N C -0.290 175.232 175.510 0.021 0.000 1.101 395 N CA 0.191 53.248 53.050 0.012 0.000 0.881 395 N CB 0.590 39.078 38.487 0.001 0.000 0.969 395 N HN 0.304 nan 8.380 nan 0.000 0.459 396 I N 1.438 122.015 120.570 0.012 0.000 2.301 396 I HA 0.001 4.170 4.170 -0.001 0.000 0.292 396 I C 1.226 177.365 176.117 0.037 0.000 1.046 396 I CA -0.484 60.820 61.300 0.006 0.000 1.282 396 I CB 0.662 38.640 38.000 -0.038 0.000 1.409 396 I HN -0.037 nan 8.210 nan 0.000 0.484 397 Y N 6.407 126.681 120.300 -0.044 0.000 2.176 397 Y HA 0.106 4.655 4.550 -0.002 0.000 0.291 397 Y C 0.744 176.619 175.900 -0.042 0.000 1.122 397 Y CA 1.039 59.117 58.100 -0.038 0.000 1.128 397 Y CB 0.404 38.843 38.460 -0.035 0.000 1.005 397 Y HN 0.544 nan 8.280 nan 0.000 0.509 398 E N 0.437 120.549 120.200 -0.146 0.000 2.290 398 E HA 0.339 4.688 4.350 -0.001 0.000 0.274 398 E C -2.273 174.262 176.600 -0.109 0.000 0.889 398 E CA -0.899 55.366 56.400 -0.225 0.000 0.760 398 E CB 1.554 31.130 29.700 -0.207 0.000 1.206 398 E HN 0.122 nan 8.360 nan 0.000 0.419 399 L N 4.523 125.673 121.223 -0.123 0.000 2.280 399 L HA 0.489 4.828 4.340 -0.001 0.000 0.287 399 L C -1.065 175.762 176.870 -0.072 0.000 1.023 399 L CA -0.241 54.531 54.840 -0.114 0.000 0.819 399 L CB 0.899 42.868 42.059 -0.150 0.000 1.212 399 L HN 0.504 nan 8.230 nan 0.000 0.420 400 R N 4.285 124.768 120.500 -0.028 0.000 2.288 400 R HA 0.331 4.670 4.340 -0.001 0.000 0.326 400 R C -0.590 175.893 176.300 0.304 0.000 0.959 400 R CA -0.469 55.687 56.100 0.093 0.000 0.834 400 R CB 1.455 31.799 30.300 0.075 0.000 1.157 400 R HN 0.709 nan 8.270 nan 0.000 0.470 401 E N 5.546 125.971 120.200 0.374 0.000 2.266 401 E HA 0.318 4.667 4.350 -0.001 0.000 0.277 401 E C -2.273 174.648 176.600 0.536 0.000 1.018 401 E CA -2.193 54.584 56.400 0.628 0.000 0.840 401 E CB 1.367 31.331 29.700 0.440 0.000 1.082 401 E HN 0.179 nan 8.360 nan 0.000 0.395 402 P HA 0.135 nan 4.420 nan 0.000 0.276 402 P C -0.505 176.835 177.300 0.066 0.000 1.235 402 P CA -0.171 63.062 63.100 0.222 0.000 0.772 402 P CB 0.525 32.357 31.700 0.220 0.000 0.871 403 I N 2.501 123.003 120.570 -0.113 0.000 2.359 403 I HA 0.437 4.606 4.170 -0.001 0.000 0.294 403 I C 0.719 176.715 176.117 -0.201 0.000 0.987 403 I CA -1.125 60.095 61.300 -0.133 0.000 1.225 403 I CB 0.959 38.873 38.000 -0.142 0.000 1.366 403 I HN 0.339 nan 8.210 nan 0.000 0.466 404 A N 5.519 128.277 122.820 -0.105 0.000 2.317 404 A HA 0.435 4.754 4.320 -0.001 0.000 0.327 404 A C 0.006 177.548 177.584 -0.070 0.000 1.178 404 A CA -0.619 51.386 52.037 -0.053 0.000 0.817 404 A CB 0.728 19.735 19.000 0.012 0.000 1.189 404 A HN 0.759 nan 8.150 nan 0.000 0.489 405 E N 1.726 121.879 120.200 -0.079 0.000 2.105 405 E HA 0.359 4.708 4.350 -0.001 0.000 0.285 405 E C -1.192 175.284 176.600 -0.208 0.000 1.055 405 E CA -0.376 55.928 56.400 -0.160 0.000 0.843 405 E CB 0.344 29.931 29.700 -0.187 0.000 1.067 405 E HN 0.660 nan 8.360 nan 0.000 0.398 406 C N 5.111 124.320 119.300 -0.152 0.000 2.251 406 C HA 0.345 4.804 4.460 -0.001 0.000 0.323 406 C C -0.530 174.404 174.990 -0.092 0.000 1.241 406 C CA -0.876 58.129 59.018 -0.022 0.000 1.601 406 C CB -0.832 26.985 27.740 0.128 0.000 2.251 406 C HN 0.741 nan 8.230 nan 0.000 0.488 407 H N 2.708 121.879 119.070 0.168 0.000 2.594 407 H HA 0.556 5.111 4.556 -0.001 0.000 0.304 407 H C -0.053 175.364 175.328 0.147 0.000 1.068 407 H CA 0.092 56.222 56.048 0.137 0.000 1.308 407 H CB 0.518 30.339 29.762 0.097 0.000 1.409 407 H HN 0.564 nan 8.280 nan 0.000 0.460 408 M N 3.663 123.406 119.600 0.238 0.000 2.465 408 M HA 0.361 4.840 4.480 -0.001 0.000 0.316 408 M C -1.258 175.132 176.300 0.150 0.000 1.121 408 M CA -0.809 54.602 55.300 0.185 0.000 0.934 408 M CB 2.376 35.074 32.600 0.164 0.000 1.692 408 M HN 0.293 nan 8.290 nan 0.000 0.444 409 L N 5.197 126.498 121.223 0.130 0.000 2.333 409 L HA 0.772 5.111 4.340 -0.001 0.000 0.280 409 L C -0.926 176.007 176.870 0.104 0.000 1.004 409 L CA -0.525 54.383 54.840 0.114 0.000 0.820 409 L CB 1.642 43.769 42.059 0.112 0.000 1.247 409 L HN 0.759 nan 8.230 nan 0.000 0.416 410 L N 2.609 123.889 121.223 0.095 0.000 2.556 410 L HA 0.740 5.079 4.340 -0.001 0.000 0.257 410 L C -2.861 174.071 176.870 0.104 0.000 0.955 410 L CA -1.679 53.222 54.840 0.102 0.000 0.850 410 L CB 2.184 44.294 42.059 0.086 0.000 1.398 410 L HN 0.249 nan 8.230 nan 0.000 0.412 411 P HA 0.136 nan 4.420 nan 0.000 0.271 411 P C -0.264 177.107 177.300 0.119 0.000 1.218 411 P CA -0.086 63.084 63.100 0.117 0.000 0.780 411 P CB 1.038 32.802 31.700 0.107 0.000 0.901 412 Q N 2.014 121.854 119.800 0.067 0.000 2.112 412 Q HA -0.207 4.132 4.340 -0.001 0.000 0.206 412 Q C 2.142 178.159 176.000 0.027 0.000 0.987 412 Q CA 2.235 58.071 55.803 0.054 0.000 0.858 412 Q CB -0.664 28.126 28.738 0.087 0.000 0.905 412 Q HN 0.600 nan 8.270 nan 0.000 0.420 413 A N -0.112 122.686 122.820 -0.035 0.000 2.076 413 A HA -0.193 4.126 4.320 -0.001 0.000 0.220 413 A C 1.327 178.766 177.584 -0.242 0.000 1.160 413 A CA 1.313 53.242 52.037 -0.179 0.000 0.653 413 A CB -0.471 18.334 19.000 -0.325 0.000 0.801 413 A HN 0.421 nan 8.150 nan 0.000 0.455 414 Y N -0.565 119.730 120.300 -0.009 0.000 2.509 414 Y HA 0.103 4.652 4.550 -0.002 0.000 0.270 414 Y C 1.948 177.848 175.900 -0.000 0.000 1.103 414 Y CA 0.343 58.442 58.100 -0.002 0.000 1.278 414 Y CB -0.123 38.342 38.460 0.008 0.000 1.087 414 Y HN 0.330 nan 8.280 nan 0.000 0.542 415 L N -1.532 119.769 121.223 0.130 0.000 2.263 415 L HA -0.028 4.311 4.340 -0.001 0.000 0.216 415 L C 2.061 178.967 176.870 0.060 0.000 1.111 415 L CA 1.793 56.681 54.840 0.079 0.000 0.773 415 L CB -1.752 40.336 42.059 0.048 0.000 0.906 415 L HN 0.095 nan 8.230 nan 0.000 0.439 416 G N 0.126 108.958 108.800 0.053 0.000 2.404 416 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.215 416 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.215 416 G C 1.358 176.282 174.900 0.041 0.000 1.174 416 G CA 0.808 45.931 45.100 0.038 0.000 0.780 416 G HN 0.507 nan 8.290 nan 0.000 0.537 417 N N -0.096 118.642 118.700 0.063 0.000 2.457 417 N HA 0.015 4.754 4.740 -0.001 0.000 0.180 417 N C 2.017 177.553 175.510 0.043 0.000 1.050 417 N CA 0.371 53.459 53.050 0.065 0.000 0.906 417 N CB 0.245 38.799 38.487 0.112 0.000 0.968 417 N HN 0.249 nan 8.380 nan 0.000 0.445 418 V N 1.284 121.222 119.914 0.040 0.000 2.374 418 V HA -0.033 4.086 4.120 -0.001 0.000 0.241 418 V C 2.134 178.194 176.094 -0.057 0.000 1.034 418 V CA 0.810 63.109 62.300 -0.001 0.000 1.037 418 V CB -0.432 31.398 31.823 0.012 0.000 0.682 418 V HN 0.303 nan 8.190 nan 0.000 0.463 419 I N -0.362 120.169 120.570 -0.065 0.000 2.614 419 I HA -0.152 4.017 4.170 -0.001 0.000 0.258 419 I C 2.192 178.266 176.117 -0.071 0.000 1.189 419 I CA 2.017 63.233 61.300 -0.139 0.000 1.462 419 I CB -1.823 36.180 38.000 0.005 0.000 1.092 419 I HN 0.365 nan 8.210 nan 0.000 0.442 420 T N 1.042 115.586 114.554 -0.017 0.000 2.867 420 T HA -0.072 4.277 4.350 -0.001 0.000 0.268 420 T C 2.011 176.710 174.700 -0.002 0.000 1.057 420 T CA 1.303 63.403 62.100 0.000 0.000 1.136 420 T CB -0.150 68.725 68.868 0.013 0.000 0.874 420 T HN 0.442 nan 8.240 nan 0.000 0.466 421 L N 0.171 121.397 121.223 0.004 0.000 2.023 421 L HA -0.051 4.288 4.340 -0.001 0.000 0.205 421 L C 2.835 179.731 176.870 0.043 0.000 1.073 421 L CA 1.511 56.382 54.840 0.050 0.000 0.745 421 L CB -0.801 41.310 42.059 0.085 0.000 0.900 421 L HN 0.398 nan 8.230 nan 0.000 0.435 422 C N -0.507 118.771 119.300 -0.038 0.000 2.363 422 C HA -0.236 4.223 4.460 -0.001 0.000 0.274 422 C C 2.829 177.754 174.990 -0.108 0.000 1.183 422 C CA 1.609 60.515 59.018 -0.187 0.000 1.771 422 C CB -0.931 26.383 27.740 -0.710 0.000 2.059 422 C HN 0.663 nan 8.230 nan 0.000 0.455 423 V N -1.068 118.815 119.914 -0.052 0.000 2.871 423 V HA -0.044 4.075 4.120 -0.001 0.000 0.256 423 V C 2.213 178.288 176.094 -0.032 0.000 1.082 423 V CA 2.009 64.311 62.300 0.003 0.000 1.105 423 V CB -0.751 31.100 31.823 0.047 0.000 0.713 423 V HN 0.580 nan 8.190 nan 0.000 0.473 424 E N 0.986 121.169 120.200 -0.029 0.000 2.110 424 E HA -0.167 4.182 4.350 -0.001 0.000 0.193 424 E C 1.301 177.871 176.600 -0.051 0.000 0.988 424 E CA 0.940 57.320 56.400 -0.034 0.000 0.804 424 E CB 0.037 29.736 29.700 -0.001 0.000 0.745 424 E HN 0.505 nan 8.360 nan 0.000 0.458 425 K N 0.584 120.955 120.400 -0.050 0.000 2.520 425 K HA 0.114 4.433 4.320 -0.001 0.000 0.205 425 K C 0.067 176.606 176.600 -0.102 0.000 1.035 425 K CA -0.138 56.097 56.287 -0.086 0.000 1.188 425 K CB 0.068 32.474 32.500 -0.157 0.000 0.894 425 K HN 0.153 nan 8.250 nan 0.000 0.497 426 R N -1.035 119.419 120.500 -0.078 0.000 3.872 426 R HA -0.126 4.213 4.340 -0.001 0.000 0.341 426 R C 0.573 176.871 176.300 -0.005 0.000 1.172 426 R CA 0.622 56.693 56.100 -0.048 0.000 0.901 426 R CB -2.176 28.108 30.300 -0.027 0.000 1.422 426 R HN 0.363 nan 8.270 nan 0.000 0.523 427 G N 0.301 109.111 108.800 0.016 0.000 2.527 427 G HA2 0.440 4.399 3.960 -0.001 0.000 0.248 427 G HA3 0.440 4.399 3.960 -0.001 0.000 0.248 427 G C -0.075 174.957 174.900 0.220 0.000 1.231 427 G CA -0.299 44.883 45.100 0.135 0.000 0.838 427 G HN 0.009 nan 8.290 nan 0.000 0.570 428 V N 1.754 121.759 119.914 0.152 0.000 2.487 428 V HA 0.273 4.392 4.120 -0.001 0.000 0.298 428 V C 0.196 176.055 176.094 -0.391 0.000 1.028 428 V CA -0.741 61.536 62.300 -0.038 0.000 0.860 428 V CB 1.496 33.288 31.823 -0.051 0.000 0.991 428 V HN 0.878 nan 8.190 nan 0.000 0.427 429 Q N 2.127 121.485 119.800 -0.736 0.000 2.297 429 Q HA 0.187 4.526 4.340 -0.001 0.000 0.267 429 Q C 0.520 176.231 176.000 -0.482 0.000 1.006 429 Q CA 0.263 55.390 55.803 -1.127 0.000 0.896 429 Q CB 1.175 29.389 28.738 -0.873 0.000 1.186 429 Q HN 0.863 nan 8.270 nan 0.000 0.392 430 T N 3.058 117.382 114.554 -0.383 0.000 3.018 430 T HA 0.121 4.470 4.350 -0.001 0.000 0.246 430 T C -0.319 174.314 174.700 -0.112 0.000 1.026 430 T CA 0.205 62.196 62.100 -0.182 0.000 1.081 430 T CB 0.178 68.970 68.868 -0.127 0.000 0.970 430 T HN 0.688 nan 8.240 nan 0.000 0.475 431 N N -0.083 118.553 118.700 -0.106 0.000 2.935 431 N HA 0.408 5.147 4.740 -0.001 0.000 0.248 431 N C -2.053 173.447 175.510 -0.018 0.000 1.276 431 N CA -0.536 52.492 53.050 -0.036 0.000 0.906 431 N CB 1.360 39.851 38.487 0.007 0.000 1.564 431 N HN -0.001 nan 8.380 nan 0.000 0.500 432 M N 2.810 122.407 119.600 -0.005 0.000 2.238 432 M HA 0.503 4.982 4.480 -0.001 0.000 0.278 432 M C -1.941 174.338 176.300 -0.036 0.000 1.040 432 M CA -0.619 54.667 55.300 -0.022 0.000 0.969 432 M CB 1.508 34.099 32.600 -0.014 0.000 1.694 432 M HN 0.336 nan 8.290 nan 0.000 0.472 433 V N 4.201 124.044 119.914 -0.119 0.000 2.735 433 V HA 0.516 4.635 4.120 -0.001 0.000 0.310 433 V C -1.407 174.437 176.094 -0.416 0.000 1.061 433 V CA -0.708 61.488 62.300 -0.174 0.000 0.913 433 V CB 2.211 33.938 31.823 -0.160 0.000 1.005 433 V HN 0.730 nan 8.190 nan 0.000 0.428 434 Y N 2.015 122.102 120.300 -0.355 0.000 2.342 434 Y HA 0.576 5.126 4.550 -0.001 0.000 0.334 434 Y C 0.255 175.886 175.900 -0.448 0.000 1.067 434 Y CA -0.215 57.702 58.100 -0.305 0.000 1.128 434 Y CB 1.302 39.687 38.460 -0.125 0.000 1.200 434 Y HN 0.663 nan 8.280 nan 0.000 0.464 435 H N 1.930 121.080 119.070 0.132 0.000 2.917 435 H HA 0.436 4.991 4.556 -0.002 0.000 0.279 435 H C 0.692 176.064 175.328 0.073 0.000 1.211 435 H CA -0.262 55.832 56.048 0.077 0.000 1.534 435 H CB 0.798 30.576 29.762 0.026 0.000 1.581 435 H HN 0.934 nan 8.280 nan 0.000 0.510 436 G N 2.773 111.675 108.800 0.171 0.000 2.611 436 G HA2 -0.423 3.537 3.960 -0.001 0.000 0.301 436 G HA3 -0.423 3.537 3.960 -0.001 0.000 0.301 436 G C 0.755 175.734 174.900 0.131 0.000 1.233 436 G CA 0.328 45.498 45.100 0.117 0.000 0.993 436 G HN 0.777 nan 8.290 nan 0.000 0.553 437 N N 1.083 119.843 118.700 0.099 0.000 2.389 437 N HA 0.125 4.864 4.740 -0.001 0.000 0.237 437 N C 0.410 175.972 175.510 0.088 0.000 1.148 437 N CA 0.644 53.751 53.050 0.095 0.000 0.854 437 N CB 0.721 39.243 38.487 0.058 0.000 1.115 437 N HN 0.798 nan 8.380 nan 0.000 0.492 438 Q N 0.754 120.614 119.800 0.099 0.000 2.337 438 Q HA 0.405 4.744 4.340 -0.001 0.000 0.270 438 Q C -1.735 174.277 176.000 0.020 0.000 1.043 438 Q CA -0.702 55.148 55.803 0.079 0.000 0.794 438 Q CB 2.368 31.166 28.738 0.101 0.000 1.281 438 Q HN 0.031 nan 8.270 nan 0.000 0.446 439 V N 2.435 122.320 119.914 -0.049 0.000 2.435 439 V HA 0.721 4.840 4.120 -0.001 0.000 0.290 439 V C -0.430 175.620 176.094 -0.072 0.000 1.030 439 V CA -0.681 61.491 62.300 -0.212 0.000 0.881 439 V CB 1.468 33.108 31.823 -0.306 0.000 0.983 439 V HN 0.868 nan 8.190 nan 0.000 0.445 440 A N 6.503 129.267 122.820 -0.093 0.000 2.294 440 A HA 0.708 5.027 4.320 -0.001 0.000 0.316 440 A C -0.589 177.013 177.584 0.030 0.000 1.359 440 A CA -0.292 51.770 52.037 0.043 0.000 0.956 440 A CB -0.030 19.062 19.000 0.154 0.000 1.155 440 A HN 0.807 nan 8.150 nan 0.000 0.544 441 L N 2.514 123.790 121.223 0.089 0.000 2.295 441 L HA 0.539 4.878 4.340 -0.001 0.000 0.285 441 L C 0.517 177.507 176.870 0.199 0.000 1.035 441 L CA -0.297 54.631 54.840 0.146 0.000 0.806 441 L CB 2.041 44.211 42.059 0.186 0.000 1.214 441 L HN 0.709 nan 8.230 nan 0.000 0.426 442 T N 2.455 117.111 114.554 0.170 0.000 2.815 442 T HA 0.480 4.829 4.350 -0.001 0.000 0.289 442 T C -1.119 173.612 174.700 0.052 0.000 1.000 442 T CA -0.260 61.916 62.100 0.125 0.000 0.958 442 T CB 0.415 69.364 68.868 0.134 0.000 0.944 442 T HN 0.330 nan 8.240 nan 0.000 0.442 443 Y N 2.177 122.452 120.300 -0.042 0.000 2.485 443 Y HA 0.496 5.046 4.550 -0.001 0.000 0.345 443 Y C 0.385 176.234 175.900 -0.085 0.000 0.998 443 Y CA -0.912 57.163 58.100 -0.043 0.000 1.059 443 Y CB 2.210 40.663 38.460 -0.013 0.000 1.234 443 Y HN 0.630 nan 8.280 nan 0.000 0.461 444 E N 4.282 124.494 120.200 0.020 0.000 2.073 444 E HA 0.434 4.783 4.350 -0.001 0.000 0.269 444 E C -1.239 175.362 176.600 0.003 0.000 0.917 444 E CA -0.190 56.195 56.400 -0.025 0.000 0.757 444 E CB 0.983 30.640 29.700 -0.073 0.000 1.111 444 E HN 0.415 nan 8.360 nan 0.000 0.410 445 I N 4.441 124.984 120.570 -0.044 0.000 2.509 445 I HA 0.306 4.475 4.170 -0.001 0.000 0.293 445 I C -2.330 173.723 176.117 -0.108 0.000 1.020 445 I CA -2.864 58.374 61.300 -0.103 0.000 1.088 445 I CB 1.895 39.743 38.000 -0.254 0.000 1.267 445 I HN 0.207 nan 8.210 nan 0.000 0.430 446 P HA -0.017 nan 4.420 nan 0.000 0.260 446 P C 0.475 177.743 177.300 -0.053 0.000 1.172 446 P CA 0.100 63.188 63.100 -0.020 0.000 0.760 446 P CB 0.486 32.200 31.700 0.025 0.000 0.773 447 M N 5.622 125.212 119.600 -0.017 0.000 2.159 447 M HA -0.153 4.326 4.480 -0.001 0.000 0.263 447 M C 1.833 178.121 176.300 -0.019 0.000 1.063 447 M CA 2.047 57.325 55.300 -0.037 0.000 1.110 447 M CB -1.133 31.480 32.600 0.022 0.000 1.374 447 M HN 0.387 nan 8.290 nan 0.000 0.411 448 A N -0.911 121.930 122.820 0.035 0.000 1.997 448 A HA -0.232 4.087 4.320 -0.001 0.000 0.221 448 A C 2.046 179.673 177.584 0.071 0.000 1.172 448 A CA 2.285 54.375 52.037 0.088 0.000 0.645 448 A CB -0.757 18.385 19.000 0.237 0.000 0.813 448 A HN 0.605 nan 8.150 nan 0.000 0.454 449 E N -1.168 119.037 120.200 0.008 0.000 2.276 449 E HA 0.062 4.411 4.350 -0.001 0.000 0.193 449 E C 1.797 178.339 176.600 -0.096 0.000 0.983 449 E CA 0.660 57.040 56.400 -0.034 0.000 0.861 449 E CB 0.074 29.723 29.700 -0.085 0.000 0.817 449 E HN 0.271 nan 8.360 nan 0.000 0.485 450 V N -0.101 119.701 119.914 -0.186 0.000 2.515 450 V HA -0.169 3.951 4.120 -0.001 0.000 0.250 450 V C 2.030 178.118 176.094 -0.010 0.000 1.058 450 V CA 1.235 63.401 62.300 -0.224 0.000 1.064 450 V CB -0.212 31.342 31.823 -0.449 0.000 0.675 450 V HN 0.140 nan 8.190 nan 0.000 0.461 451 V N -0.983 118.951 119.914 0.032 0.000 2.446 451 V HA 0.041 4.160 4.120 -0.001 0.000 0.244 451 V C 1.139 177.354 176.094 0.201 0.000 1.039 451 V CA 0.477 62.873 62.300 0.160 0.000 1.045 451 V CB -0.251 31.718 31.823 0.242 0.000 0.681 451 V HN 0.303 nan 8.190 nan 0.000 0.459 452 L N 2.205 123.529 121.223 0.168 0.000 2.530 452 L HA 0.104 4.443 4.340 -0.001 0.000 0.273 452 L C 0.252 177.233 176.870 0.185 0.000 1.141 452 L CA 0.599 55.540 54.840 0.169 0.000 0.905 452 L CB -0.652 41.491 42.059 0.139 0.000 1.202 452 L HN 0.337 nan 8.230 nan 0.000 0.473 453 D N 3.395 123.901 120.400 0.177 0.000 3.167 453 D HA -0.242 4.397 4.640 -0.001 0.000 0.232 453 D C 0.566 176.992 176.300 0.210 0.000 1.231 453 D CA 0.740 54.847 54.000 0.179 0.000 0.845 453 D CB 0.239 41.103 40.800 0.107 0.000 1.157 453 D HN 0.492 nan 8.370 nan 0.000 0.576 454 F N 5.021 125.022 119.950 0.085 0.000 2.729 454 F HA 0.110 4.636 4.527 -0.002 0.000 0.304 454 F C 1.382 177.235 175.800 0.088 0.000 1.008 454 F CA -0.415 57.618 58.000 0.055 0.000 1.188 454 F CB -0.374 38.644 39.000 0.030 0.000 0.980 454 F HN 0.218 nan 8.300 nan 0.000 0.627 455 F N 2.452 122.250 119.950 -0.254 0.000 2.120 455 F HA -0.165 4.361 4.527 -0.002 0.000 0.300 455 F C 1.793 177.438 175.800 -0.259 0.000 1.095 455 F CA 2.317 60.133 58.000 -0.307 0.000 1.249 455 F CB -0.745 38.236 39.000 -0.032 0.000 0.995 455 F HN -0.008 nan 8.300 nan 0.000 0.480 456 D N -0.099 120.113 120.400 -0.313 0.000 2.144 456 D HA -0.119 4.520 4.640 -0.001 0.000 0.200 456 D C 2.420 178.534 176.300 -0.310 0.000 0.978 456 D CA 1.271 55.058 54.000 -0.356 0.000 0.833 456 D CB -0.298 40.403 40.800 -0.165 0.000 0.961 456 D HN 0.327 nan 8.370 nan 0.000 0.470 457 R N -0.097 120.252 120.500 -0.253 0.000 2.148 457 R HA 0.045 4.385 4.340 -0.001 0.000 0.223 457 R C 2.317 178.460 176.300 -0.262 0.000 1.088 457 R CA 0.275 56.259 56.100 -0.194 0.000 0.985 457 R CB -0.165 30.083 30.300 -0.087 0.000 0.880 457 R HN 0.208 nan 8.270 nan 0.000 0.451 458 L N 0.805 121.759 121.223 -0.449 0.000 2.072 458 L HA -0.070 4.270 4.340 -0.001 0.000 0.205 458 L C 2.039 178.715 176.870 -0.324 0.000 1.079 458 L CA 1.605 56.200 54.840 -0.408 0.000 0.752 458 L CB -0.047 41.661 42.059 -0.585 0.000 0.906 458 L HN -0.106 nan 8.230 nan 0.000 0.436 459 K N -0.316 119.840 120.400 -0.406 0.000 2.211 459 K HA -0.122 4.197 4.320 -0.001 0.000 0.203 459 K C 2.260 178.703 176.600 -0.262 0.000 1.050 459 K CA 1.290 57.357 56.287 -0.367 0.000 0.945 459 K CB -0.014 32.183 32.500 -0.505 0.000 0.732 459 K HN 0.624 nan 8.250 nan 0.000 0.451 460 S N -1.225 114.342 115.700 -0.223 0.000 2.362 460 S HA -0.106 4.363 4.470 -0.001 0.000 0.221 460 S C 2.107 176.644 174.600 -0.106 0.000 1.032 460 S CA 1.518 59.632 58.200 -0.143 0.000 0.973 460 S CB -0.540 62.593 63.200 -0.112 0.000 0.849 460 S HN 0.198 nan 8.310 nan 0.000 0.465 461 T N 1.798 116.290 114.554 -0.102 0.000 3.051 461 T HA 0.033 4.382 4.350 -0.001 0.000 0.269 461 T C 1.459 176.148 174.700 -0.019 0.000 1.127 461 T CA 1.448 63.527 62.100 -0.034 0.000 1.107 461 T CB -0.567 68.284 68.868 -0.028 0.000 0.898 461 T HN 0.707 nan 8.240 nan 0.000 0.517 462 S N -0.482 115.105 115.700 -0.188 0.000 2.650 462 S HA 0.336 4.805 4.470 -0.001 0.000 0.240 462 S C 0.531 174.761 174.600 -0.618 0.000 1.007 462 S CA -0.480 57.395 58.200 -0.541 0.000 0.984 462 S CB -0.150 62.812 63.200 -0.396 0.000 0.910 462 S HN 0.466 nan 8.310 nan 0.000 0.509 463 R N 1.274 121.608 120.500 -0.275 0.000 3.225 463 R HA -0.180 4.159 4.340 -0.001 0.000 0.245 463 R C 1.003 177.120 176.300 -0.306 0.000 0.928 463 R CA 0.556 56.549 56.100 -0.179 0.000 0.632 463 R CB -2.074 28.217 30.300 -0.015 0.000 1.038 463 R HN 1.174 nan 8.270 nan 0.000 0.461 464 G N -1.211 107.388 108.800 -0.336 0.000 2.198 464 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.260 464 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.260 464 G C 0.124 174.696 174.900 -0.546 0.000 1.025 464 G CA 0.583 45.436 45.100 -0.413 0.000 0.769 464 G HN 0.614 nan 8.290 nan 0.000 0.507 465 Y N -0.227 119.909 120.300 -0.274 0.000 2.444 465 Y HA 0.566 5.115 4.550 -0.002 0.000 0.249 465 Y C 1.852 177.675 175.900 -0.128 0.000 1.134 465 Y CA 0.380 58.362 58.100 -0.196 0.000 1.261 465 Y CB 0.738 39.062 38.460 -0.227 0.000 1.143 465 Y HN 0.559 nan 8.280 nan 0.000 0.523 466 A N 0.845 123.638 122.820 -0.046 0.000 2.274 466 A HA 0.548 4.867 4.320 -0.001 0.000 0.309 466 A C -0.063 177.533 177.584 0.019 0.000 1.226 466 A CA -0.468 51.566 52.037 -0.005 0.000 0.853 466 A CB 0.050 19.025 19.000 -0.041 0.000 1.146 466 A HN 0.200 nan 8.150 nan 0.000 0.518 467 S N 3.276 119.025 115.700 0.081 0.000 2.498 467 S HA 0.567 5.036 4.470 -0.001 0.000 0.324 467 S C -0.434 174.267 174.600 0.169 0.000 1.071 467 S CA -0.588 57.684 58.200 0.121 0.000 1.113 467 S CB 0.704 63.966 63.200 0.104 0.000 0.976 467 S HN 0.700 nan 8.310 nan 0.000 0.462 468 L N 3.152 124.517 121.223 0.236 0.000 2.350 468 L HA 0.512 4.851 4.340 -0.001 0.000 0.275 468 L C -0.555 176.445 176.870 0.217 0.000 1.099 468 L CA -0.031 54.971 54.840 0.270 0.000 0.808 468 L CB 0.912 43.200 42.059 0.381 0.000 1.149 468 L HN 0.810 nan 8.230 nan 0.000 0.442 469 D N 4.211 124.755 120.400 0.240 0.000 2.616 469 D HA 0.203 4.842 4.640 -0.001 0.000 0.238 469 D C -1.734 174.710 176.300 0.241 0.000 1.354 469 D CA -0.265 53.841 54.000 0.177 0.000 0.970 469 D CB 1.267 42.163 40.800 0.160 0.000 1.369 469 D HN 0.382 nan 8.370 nan 0.000 0.585 470 Y N 1.966 122.325 120.300 0.098 0.000 2.446 470 Y HA 0.596 5.145 4.550 -0.001 0.000 0.345 470 Y C -0.716 175.222 175.900 0.064 0.000 0.984 470 Y CA -0.964 57.173 58.100 0.062 0.000 1.058 470 Y CB 1.338 39.834 38.460 0.059 0.000 1.220 470 Y HN 0.202 nan 8.280 nan 0.000 0.455 471 N N 2.921 121.722 118.700 0.169 0.000 2.357 471 N HA 0.280 5.019 4.740 -0.001 0.000 0.284 471 N C -1.691 173.916 175.510 0.161 0.000 1.236 471 N CA -0.700 52.426 53.050 0.126 0.000 0.774 471 N CB 2.192 40.731 38.487 0.087 0.000 1.534 471 N HN 0.752 nan 8.380 nan 0.000 0.478 472 F N 1.180 121.141 119.950 0.020 0.000 2.563 472 F HA 0.150 4.676 4.527 -0.002 0.000 0.363 472 F C 1.180 176.941 175.800 -0.065 0.000 1.123 472 F CA 0.511 58.481 58.000 -0.051 0.000 1.307 472 F CB 1.050 39.985 39.000 -0.107 0.000 1.115 472 F HN 0.819 nan 8.300 nan 0.000 0.592 473 K N 3.355 123.136 120.400 -1.032 0.000 2.485 473 K HA 0.379 4.698 4.320 -0.001 0.000 0.200 473 K C -0.325 175.717 176.600 -0.931 0.000 1.352 473 K CA 0.057 55.922 56.287 -0.703 0.000 0.953 473 K CB 0.461 32.732 32.500 -0.381 0.000 1.387 473 K HN 0.732 nan 8.250 nan 0.000 0.512 474 R N -1.057 118.623 120.500 -1.367 0.000 2.765 474 R HA 0.253 4.592 4.340 -0.001 0.000 0.277 474 R C -1.565 174.386 176.300 -0.582 0.000 1.028 474 R CA -0.637 55.035 56.100 -0.713 0.000 0.860 474 R CB 0.400 30.521 30.300 -0.297 0.000 1.270 474 R HN -0.029 nan 8.270 nan 0.000 0.484 475 F N 1.140 121.136 119.950 0.077 0.000 2.399 475 F HA 0.490 5.016 4.527 -0.002 0.000 0.328 475 F C 0.619 176.461 175.800 0.070 0.000 1.084 475 F CA -0.061 58.035 58.000 0.160 0.000 1.053 475 F CB 1.893 41.032 39.000 0.232 0.000 1.209 475 F HN 0.421 nan 8.300 nan 0.000 0.502 476 Q N 1.068 121.028 119.800 0.267 0.000 2.693 476 Q HA 0.758 5.097 4.340 -0.001 0.000 0.306 476 Q C -1.665 174.400 176.000 0.110 0.000 0.969 476 Q CA -1.048 54.838 55.803 0.139 0.000 0.757 476 Q CB 2.096 30.877 28.738 0.072 0.000 1.494 476 Q HN 0.762 nan 8.270 nan 0.000 0.459 477 A N 0.934 123.786 122.820 0.054 0.000 2.366 477 A HA 0.340 4.659 4.320 -0.001 0.000 0.272 477 A C 0.753 178.348 177.584 0.018 0.000 1.135 477 A CA 0.384 52.429 52.037 0.014 0.000 0.804 477 A CB 0.815 19.797 19.000 -0.028 0.000 1.064 477 A HN 0.784 nan 8.150 nan 0.000 0.499 478 S N 1.487 117.187 115.700 0.001 0.000 2.351 478 S HA -0.184 4.285 4.470 -0.001 0.000 0.220 478 S C 1.071 175.672 174.600 0.002 0.000 1.035 478 S CA 2.069 60.271 58.200 0.004 0.000 1.031 478 S CB -0.350 62.807 63.200 -0.071 0.000 0.928 478 S HN 1.099 nan 8.310 nan 0.000 0.433 479 D N -0.930 119.444 120.400 -0.042 0.000 3.017 479 D HA -0.149 4.490 4.640 -0.001 0.000 0.220 479 D C -0.489 175.757 176.300 -0.091 0.000 1.141 479 D CA 0.906 54.869 54.000 -0.062 0.000 0.848 479 D CB -1.451 39.350 40.800 0.002 0.000 1.102 479 D HN 0.425 nan 8.370 nan 0.000 0.427 480 M N 0.158 119.714 119.600 -0.073 0.000 2.530 480 M HA 0.595 5.074 4.480 -0.001 0.000 0.307 480 M C -1.162 175.084 176.300 -0.091 0.000 1.161 480 M CA -0.771 54.495 55.300 -0.056 0.000 0.903 480 M CB 2.271 34.885 32.600 0.024 0.000 1.711 480 M HN 0.018 nan 8.290 nan 0.000 0.451 481 V N 1.055 120.919 119.914 -0.083 0.000 2.769 481 V HA 0.744 4.863 4.120 -0.001 0.000 0.312 481 V C -0.795 175.269 176.094 -0.051 0.000 1.061 481 V CA -0.902 61.349 62.300 -0.081 0.000 0.931 481 V CB 1.773 33.539 31.823 -0.096 0.000 1.010 481 V HN 0.909 nan 8.190 nan 0.000 0.433 482 R N 2.249 122.717 120.500 -0.052 0.000 2.255 482 R HA 0.689 5.028 4.340 -0.001 0.000 0.326 482 R C -1.808 174.476 176.300 -0.027 0.000 0.986 482 R CA -0.333 55.744 56.100 -0.037 0.000 0.847 482 R CB 1.599 31.871 30.300 -0.047 0.000 1.111 482 R HN 0.736 nan 8.270 nan 0.000 0.452 483 V N 5.811 125.716 119.914 -0.017 0.000 2.376 483 V HA 0.218 4.337 4.120 -0.001 0.000 0.287 483 V C -0.102 175.987 176.094 -0.008 0.000 1.015 483 V CA -0.803 61.491 62.300 -0.010 0.000 0.834 483 V CB 1.625 33.444 31.823 -0.006 0.000 1.001 483 V HN 0.746 nan 8.190 nan 0.000 0.428 484 D N 3.004 123.399 120.400 -0.007 0.000 2.466 484 D HA 0.591 5.230 4.640 -0.001 0.000 0.262 484 D C -0.599 175.697 176.300 -0.007 0.000 1.177 484 D CA -0.261 53.733 54.000 -0.009 0.000 1.035 484 D CB 2.581 43.374 40.800 -0.011 0.000 1.105 484 D HN 0.250 nan 8.370 nan 0.000 0.551 485 V N 0.854 120.763 119.914 -0.009 0.000 2.638 485 V HA 0.309 4.429 4.120 -0.001 0.000 0.306 485 V C -0.587 175.501 176.094 -0.011 0.000 1.052 485 V CA -0.778 61.517 62.300 -0.008 0.000 0.885 485 V CB 1.861 33.679 31.823 -0.007 0.000 0.999 485 V HN 0.290 nan 8.190 nan 0.000 0.424 486 L N 5.765 126.981 121.223 -0.010 0.000 2.325 486 L HA 0.787 5.126 4.340 -0.001 0.000 0.281 486 L C -0.195 176.669 176.870 -0.010 0.000 1.004 486 L CA -0.463 54.369 54.840 -0.013 0.000 0.823 486 L CB 1.492 43.541 42.059 -0.016 0.000 1.236 486 L HN 0.672 nan 8.230 nan 0.000 0.415 487 I N 0.514 121.078 120.570 -0.010 0.000 3.076 487 I HA 0.456 4.625 4.170 -0.001 0.000 0.313 487 I C 0.217 176.327 176.117 -0.011 0.000 1.053 487 I CA -0.701 60.595 61.300 -0.007 0.000 1.048 487 I CB 1.642 39.641 38.000 -0.003 0.000 1.264 487 I HN 0.587 nan 8.210 nan 0.000 0.498 488 N N 3.142 121.837 118.700 -0.009 0.000 2.335 488 N HA -0.041 4.698 4.740 -0.001 0.000 0.286 488 N C 0.881 176.378 175.510 -0.022 0.000 1.186 488 N CA 1.369 54.411 53.050 -0.013 0.000 1.160 488 N CB -0.922 37.553 38.487 -0.020 0.000 1.425 488 N HN 0.969 nan 8.380 nan 0.000 0.499 489 G N 0.297 109.086 108.800 -0.019 0.000 2.812 489 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.219 489 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.219 489 G C -0.026 174.860 174.900 -0.023 0.000 1.275 489 G CA -0.161 44.925 45.100 -0.023 0.000 0.769 489 G HN 0.510 nan 8.290 nan 0.000 0.527 490 E N 1.755 121.940 120.200 -0.024 0.000 2.376 490 E HA 0.318 4.667 4.350 -0.001 0.000 0.266 490 E C 0.709 177.295 176.600 -0.022 0.000 1.009 490 E CA -0.446 55.939 56.400 -0.024 0.000 0.902 490 E CB 0.748 30.433 29.700 -0.026 0.000 0.972 490 E HN 0.414 nan 8.360 nan 0.000 0.439 491 R N 2.034 122.520 120.500 -0.023 0.000 2.486 491 R HA -0.018 4.321 4.340 -0.001 0.000 0.303 491 R C -0.747 175.538 176.300 -0.025 0.000 0.958 491 R CA 0.108 56.194 56.100 -0.023 0.000 1.077 491 R CB 0.250 30.535 30.300 -0.025 0.000 0.921 491 R HN 0.227 nan 8.270 nan 0.000 0.406 492 V N 6.030 125.930 119.914 -0.024 0.000 2.259 492 V HA 0.056 4.175 4.120 -0.001 0.000 0.267 492 V C 0.312 176.388 176.094 -0.030 0.000 1.051 492 V CA -0.473 61.812 62.300 -0.026 0.000 0.830 492 V CB 1.061 32.872 31.823 -0.021 0.000 1.080 492 V HN 0.858 nan 8.190 nan 0.000 0.467 493 D N 4.145 124.523 120.400 -0.037 0.000 2.123 493 D HA -0.171 4.468 4.640 -0.001 0.000 0.196 493 D C 2.195 178.467 176.300 -0.046 0.000 0.992 493 D CA 1.724 55.699 54.000 -0.042 0.000 0.833 493 D CB 0.085 40.854 40.800 -0.052 0.000 0.954 493 D HN 0.623 nan 8.370 nan 0.000 0.455 494 A N 0.199 122.987 122.820 -0.054 0.000 2.084 494 A HA -0.158 4.161 4.320 -0.001 0.000 0.221 494 A C 1.967 179.527 177.584 -0.039 0.000 1.161 494 A CA 0.996 52.998 52.037 -0.058 0.000 0.653 494 A CB -0.320 18.645 19.000 -0.058 0.000 0.802 494 A HN 0.173 nan 8.150 nan 0.000 0.457 495 L N -1.562 119.644 121.223 -0.028 0.000 2.616 495 L HA 0.399 4.738 4.340 -0.001 0.000 0.229 495 L C 1.345 178.208 176.870 -0.013 0.000 1.110 495 L CA 0.428 55.257 54.840 -0.017 0.000 0.884 495 L CB -0.490 41.560 42.059 -0.014 0.000 1.115 495 L HN 0.319 nan 8.230 nan 0.000 0.481 496 A N 0.312 123.122 122.820 -0.017 0.000 2.445 496 A HA 0.493 4.812 4.320 -0.001 0.000 0.242 496 A C -0.422 177.160 177.584 -0.004 0.000 1.075 496 A CA -0.061 51.969 52.037 -0.012 0.000 0.777 496 A CB -0.049 18.941 19.000 -0.017 0.000 1.013 496 A HN 0.244 nan 8.150 nan 0.000 0.493 497 L N -0.360 120.863 121.223 0.001 0.000 2.376 497 L HA 0.834 5.173 4.340 -0.001 0.000 0.258 497 L C -0.753 176.123 176.870 0.009 0.000 1.013 497 L CA -0.639 54.207 54.840 0.010 0.000 0.822 497 L CB 1.423 43.491 42.059 0.015 0.000 1.388 497 L HN 0.495 nan 8.230 nan 0.000 0.413 498 I N 0.882 121.465 120.570 0.021 0.000 2.362 498 I HA 0.678 4.847 4.170 -0.001 0.000 0.289 498 I C -0.158 175.979 176.117 0.033 0.000 0.994 498 I CA -0.103 61.208 61.300 0.018 0.000 1.158 498 I CB 1.894 39.910 38.000 0.027 0.000 1.315 498 I HN 0.832 nan 8.210 nan 0.000 0.451 499 T N 3.410 117.980 114.554 0.027 0.000 2.864 499 T HA 0.321 4.670 4.350 -0.001 0.000 0.299 499 T C -0.965 173.772 174.700 0.061 0.000 1.166 499 T CA -0.542 61.590 62.100 0.052 0.000 1.007 499 T CB 1.052 69.945 68.868 0.043 0.000 1.219 499 T HN 0.580 nan 8.240 nan 0.000 0.506 500 H N 1.983 121.053 119.070 0.001 0.000 2.815 500 H HA 0.363 4.918 4.556 -0.002 0.000 0.350 500 H C 1.707 177.030 175.328 -0.009 0.000 1.080 500 H CA 0.353 56.400 56.048 -0.003 0.000 1.433 500 H CB 0.726 30.489 29.762 0.002 0.000 1.432 500 H HN 0.528 nan 8.280 nan 0.000 0.592 501 R N 2.397 122.545 120.500 -0.587 0.000 2.133 501 R HA -0.218 4.121 4.340 -0.001 0.000 0.245 501 R C 1.088 177.285 176.300 -0.172 0.000 1.137 501 R CA 2.420 58.305 56.100 -0.359 0.000 0.947 501 R CB -0.249 29.808 30.300 -0.406 0.000 0.865 501 R HN 0.777 nan 8.270 nan 0.000 0.437 502 D N -0.471 119.873 120.400 -0.094 0.000 2.221 502 D HA -0.120 4.519 4.640 -0.001 0.000 0.204 502 D C 0.368 176.699 176.300 0.052 0.000 0.982 502 D CA 1.248 55.282 54.000 0.057 0.000 0.857 502 D CB -0.114 40.803 40.800 0.194 0.000 0.934 502 D HN 0.282 nan 8.370 nan 0.000 0.475 503 N N -1.576 117.164 118.700 0.066 0.000 2.433 503 N HA 0.082 4.821 4.740 -0.001 0.000 0.270 503 N C 0.689 176.214 175.510 0.025 0.000 1.354 503 N CA -0.074 53.002 53.050 0.042 0.000 0.889 503 N CB 0.972 39.491 38.487 0.053 0.000 1.285 503 N HN -0.059 nan 8.380 nan 0.000 0.503 504 S N -0.361 115.340 115.700 0.003 0.000 2.387 504 S HA -0.222 4.247 4.470 -0.001 0.000 0.226 504 S C 1.962 176.558 174.600 -0.006 0.000 1.026 504 S CA 0.775 58.971 58.200 -0.008 0.000 0.972 504 S CB -0.176 63.003 63.200 -0.035 0.000 0.814 504 S HN 0.315 nan 8.310 nan 0.000 0.477 505 Q N 2.492 122.287 119.800 -0.009 0.000 2.061 505 Q HA -0.143 4.196 4.340 -0.001 0.000 0.204 505 Q C 1.924 177.926 176.000 0.003 0.000 0.984 505 Q CA 2.292 58.092 55.803 -0.005 0.000 0.846 505 Q CB -0.927 27.807 28.738 -0.008 0.000 0.902 505 Q HN 0.694 nan 8.270 nan 0.000 0.421 506 N N -1.286 117.418 118.700 0.007 0.000 2.142 506 N HA -0.118 4.621 4.740 -0.001 0.000 0.186 506 N C 1.509 177.027 175.510 0.012 0.000 1.023 506 N CA 0.973 54.030 53.050 0.011 0.000 0.852 506 N CB 0.014 38.510 38.487 0.016 0.000 0.998 506 N HN 0.067 nan 8.380 nan 0.000 0.424 507 R N -0.262 120.247 120.500 0.015 0.000 2.148 507 R HA 0.107 4.446 4.340 -0.001 0.000 0.227 507 R C 2.035 178.341 176.300 0.011 0.000 1.103 507 R CA 0.991 57.100 56.100 0.015 0.000 0.983 507 R CB -0.924 29.388 30.300 0.020 0.000 0.874 507 R HN 0.302 nan 8.270 nan 0.000 0.451 508 G N 0.050 108.855 108.800 0.008 0.000 2.402 508 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.216 508 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.216 508 G C 1.531 176.435 174.900 0.007 0.000 1.162 508 G CA 0.208 45.312 45.100 0.006 0.000 0.777 508 G HN 0.163 nan 8.290 nan 0.000 0.539 509 R N 0.830 121.334 120.500 0.007 0.000 2.081 509 R HA -0.058 4.282 4.340 -0.001 0.000 0.235 509 R C 2.428 178.733 176.300 0.008 0.000 1.131 509 R CA 1.696 57.800 56.100 0.007 0.000 0.960 509 R CB -0.452 29.853 30.300 0.007 0.000 0.856 509 R HN 0.511 nan 8.270 nan 0.000 0.436 510 E N 0.346 120.551 120.200 0.009 0.000 2.106 510 E HA -0.163 4.186 4.350 -0.001 0.000 0.192 510 E C 2.087 178.692 176.600 0.009 0.000 0.984 510 E CA 0.830 57.236 56.400 0.009 0.000 0.806 510 E CB -0.111 29.596 29.700 0.011 0.000 0.750 510 E HN 0.257 nan 8.360 nan 0.000 0.458 511 L N 0.550 121.778 121.223 0.008 0.000 2.093 511 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 511 L C 2.215 179.089 176.870 0.006 0.000 1.085 511 L CA 0.690 55.534 54.840 0.007 0.000 0.755 511 L CB 0.066 42.129 42.059 0.006 0.000 0.904 511 L HN 0.053 nan 8.230 nan 0.000 0.435 512 V N -0.468 119.449 119.914 0.006 0.000 2.358 512 V HA -0.204 3.916 4.120 -0.001 0.000 0.246 512 V C 2.476 178.574 176.094 0.006 0.000 1.047 512 V CA 1.449 63.752 62.300 0.005 0.000 1.035 512 V CB -0.497 31.330 31.823 0.006 0.000 0.658 512 V HN 0.426 nan 8.190 nan 0.000 0.452 513 E N 0.422 120.626 120.200 0.006 0.000 2.051 513 E HA -0.242 4.107 4.350 -0.001 0.000 0.192 513 E C 2.152 178.756 176.600 0.006 0.000 0.991 513 E CA 1.268 57.672 56.400 0.006 0.000 0.799 513 E CB -0.370 29.334 29.700 0.007 0.000 0.748 513 E HN 0.552 nan 8.360 nan 0.000 0.449 514 K N 0.004 120.408 120.400 0.007 0.000 2.074 514 K HA -0.163 4.156 4.320 -0.001 0.000 0.209 514 K C 2.054 178.658 176.600 0.006 0.000 1.048 514 K CA 1.435 57.726 56.287 0.007 0.000 0.926 514 K CB 0.015 32.519 32.500 0.007 0.000 0.713 514 K HN -0.002 nan 8.250 nan 0.000 0.444 515 M N 1.194 120.798 119.600 0.006 0.000 2.086 515 M HA -0.145 4.335 4.480 -0.001 0.000 0.261 515 M C 1.879 178.183 176.300 0.007 0.000 1.067 515 M CA 1.566 56.869 55.300 0.005 0.000 1.116 515 M CB -0.880 31.723 32.600 0.005 0.000 1.348 515 M HN 0.064 nan 8.290 nan 0.000 0.407 516 K N 0.211 120.615 120.400 0.007 0.000 2.218 516 K HA -0.186 4.133 4.320 -0.001 0.000 0.205 516 K C 1.450 178.054 176.600 0.007 0.000 1.046 516 K CA 1.182 57.474 56.287 0.007 0.000 0.933 516 K CB -0.253 32.251 32.500 0.007 0.000 0.728 516 K HN 0.417 nan 8.250 nan 0.000 0.454 517 D N 0.458 120.862 120.400 0.006 0.000 2.194 517 D HA -0.065 4.574 4.640 -0.001 0.000 0.204 517 D C 1.736 178.039 176.300 0.006 0.000 0.964 517 D CA 0.802 54.805 54.000 0.006 0.000 0.846 517 D CB 0.185 40.988 40.800 0.005 0.000 0.962 517 D HN 0.202 nan 8.370 nan 0.000 0.490 518 L N 0.192 121.419 121.223 0.006 0.000 2.567 518 L HA 0.214 4.553 4.340 -0.001 0.000 0.225 518 L C 0.578 177.453 176.870 0.007 0.000 1.119 518 L CA 0.219 55.063 54.840 0.006 0.000 0.871 518 L CB 0.478 42.541 42.059 0.006 0.000 1.036 518 L HN -0.184 nan 8.230 nan 0.000 0.459 519 I N 1.888 122.463 120.570 0.008 0.000 2.466 519 I HA 0.276 4.445 4.170 -0.001 0.000 0.279 519 I C -2.159 173.965 176.117 0.010 0.000 1.033 519 I CA -1.746 59.560 61.300 0.011 0.000 1.123 519 I CB 1.896 39.904 38.000 0.014 0.000 1.237 519 I HN -0.169 nan 8.210 nan 0.000 0.460 520 P HA 0.209 nan 4.420 nan 0.000 0.274 520 P C -0.783 176.520 177.300 0.005 0.000 1.256 520 P CA -0.623 62.480 63.100 0.005 0.000 0.795 520 P CB 0.653 32.355 31.700 0.002 0.000 1.038 521 R N 1.363 121.864 120.500 0.001 0.000 2.404 521 R HA 0.111 4.451 4.340 -0.001 0.000 0.315 521 R C 0.747 177.040 176.300 -0.012 0.000 1.032 521 R CA 0.303 56.401 56.100 -0.003 0.000 0.992 521 R CB 0.102 30.398 30.300 -0.006 0.000 0.959 521 R HN 0.573 nan 8.270 nan 0.000 0.428 522 Q N 1.194 120.986 119.800 -0.013 0.000 3.138 522 Q HA 0.118 4.457 4.340 -0.001 0.000 0.205 522 Q C 1.129 177.074 176.000 -0.091 0.000 1.131 522 Q CA -0.788 54.995 55.803 -0.033 0.000 0.558 522 Q CB 0.327 29.063 28.738 -0.003 0.000 4.484 522 Q HN 0.506 nan 8.270 nan 0.000 0.324 523 Q N -0.417 119.289 119.800 -0.158 0.000 2.062 523 Q HA 0.035 4.374 4.340 -0.001 0.000 0.196 523 Q C -0.448 175.225 176.000 -0.546 0.000 0.967 523 Q CA 1.095 56.646 55.803 -0.420 0.000 0.832 523 Q CB 0.334 28.701 28.738 -0.617 0.000 0.899 523 Q HN 0.291 nan 8.270 nan 0.000 0.442 524 F N 1.050 120.999 119.950 -0.002 0.000 2.538 524 F HA 0.277 4.804 4.527 -0.000 0.000 0.325 524 F C -0.192 175.606 175.800 -0.003 0.000 1.066 524 F CA -1.472 56.527 58.000 -0.003 0.000 0.946 524 F CB 1.021 40.019 39.000 -0.003 0.000 1.199 524 F HN -0.131 nan 8.300 nan 0.000 0.473 525 D N 2.290 122.805 120.400 0.190 0.000 2.583 525 D HA 0.105 4.744 4.640 -0.001 0.000 0.232 525 D C -0.290 176.070 176.300 0.100 0.000 1.128 525 D CA 1.015 55.079 54.000 0.107 0.000 0.859 525 D CB 0.492 41.339 40.800 0.078 0.000 1.169 525 D HN 0.276 nan 8.370 nan 0.000 0.481 526 I N 1.721 122.331 120.570 0.066 0.000 2.382 526 I HA 0.357 4.526 4.170 -0.001 0.000 0.286 526 I C 0.032 176.166 176.117 0.028 0.000 1.002 526 I CA -0.767 60.562 61.300 0.048 0.000 1.135 526 I CB 1.735 39.764 38.000 0.048 0.000 1.288 526 I HN 0.270 nan 8.210 nan 0.000 0.448 527 A N 8.094 130.925 122.820 0.019 0.000 2.260 527 A HA 0.772 5.091 4.320 -0.001 0.000 0.308 527 A C -0.441 177.147 177.584 0.006 0.000 1.254 527 A CA -0.308 51.736 52.037 0.011 0.000 0.874 527 A CB 0.118 19.121 19.000 0.006 0.000 1.153 527 A HN 0.685 nan 8.150 nan 0.000 0.527 528 I N 2.677 123.251 120.570 0.006 0.000 2.378 528 I HA 0.392 4.561 4.170 -0.001 0.000 0.291 528 I C -0.045 176.074 176.117 0.002 0.000 0.992 528 I CA -0.299 61.003 61.300 0.004 0.000 1.154 528 I CB 1.748 39.751 38.000 0.005 0.000 1.315 528 I HN 0.846 nan 8.210 nan 0.000 0.448 529 Q N 5.483 125.283 119.800 0.000 0.000 2.359 529 Q HA 0.867 5.206 4.340 -0.001 0.000 0.274 529 Q C -1.537 174.463 176.000 -0.000 0.000 1.074 529 Q CA -1.067 54.736 55.803 0.000 0.000 0.810 529 Q CB 2.489 31.226 28.738 -0.001 0.000 1.342 529 Q HN 0.645 nan 8.270 nan 0.000 0.427 530 A N 1.546 124.367 122.820 0.003 0.000 2.312 530 A HA 0.959 5.278 4.320 -0.001 0.000 0.328 530 A C -0.825 176.763 177.584 0.006 0.000 1.158 530 A CA -0.052 51.986 52.037 0.003 0.000 0.821 530 A CB 1.337 20.339 19.000 0.004 0.000 1.170 530 A HN 1.011 nan 8.150 nan 0.000 0.490 531 A N 1.283 124.107 122.820 0.006 0.000 2.594 531 A HA 0.700 5.019 4.320 -0.001 0.000 0.295 531 A C -1.175 176.418 177.584 0.015 0.000 1.071 531 A CA -0.407 51.639 52.037 0.015 0.000 0.685 531 A CB 0.894 19.900 19.000 0.010 0.000 1.285 531 A HN 0.757 nan 8.150 nan 0.000 0.405 532 I N 2.522 123.111 120.570 0.032 0.000 2.382 532 I HA 0.546 4.715 4.170 -0.001 0.000 0.285 532 I C 1.088 177.242 176.117 0.062 0.000 1.007 532 I CA 0.527 61.842 61.300 0.026 0.000 1.142 532 I CB 1.099 39.101 38.000 0.003 0.000 1.289 532 I HN 1.333 nan 8.210 nan 0.000 0.453 533 G N 4.814 113.635 108.800 0.035 0.000 2.591 533 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.298 533 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.298 533 G C 0.777 175.687 174.900 0.017 0.000 1.195 533 G CA 0.628 45.751 45.100 0.038 0.000 0.989 533 G HN 0.474 nan 8.290 nan 0.000 0.551 534 T N 1.088 115.639 114.554 -0.006 0.000 2.867 534 T HA 0.060 4.410 4.350 -0.001 0.000 0.268 534 T C 0.991 175.574 174.700 -0.196 0.000 1.057 534 T CA 1.956 63.967 62.100 -0.148 0.000 1.136 534 T CB -0.211 68.478 68.868 -0.297 0.000 0.874 534 T HN 0.632 nan 8.240 nan 0.000 0.466 535 H N 0.401 119.459 119.070 -0.019 0.000 2.800 535 H HA 0.378 4.933 4.556 -0.001 0.000 0.291 535 H C -0.013 175.304 175.328 -0.017 0.000 1.076 535 H CA -0.508 55.529 56.048 -0.018 0.000 1.452 535 H CB 0.033 29.784 29.762 -0.019 0.000 1.461 535 H HN 0.222 nan 8.280 nan 0.000 0.488 536 I N 5.136 125.745 120.570 0.064 0.000 2.533 536 I HA -0.048 4.121 4.170 -0.001 0.000 0.284 536 I C 1.310 177.457 176.117 0.049 0.000 1.109 536 I CA 0.387 61.711 61.300 0.038 0.000 1.412 536 I CB 0.523 38.531 38.000 0.013 0.000 1.396 536 I HN 0.743 nan 8.210 nan 0.000 0.543 537 I N 3.392 123.982 120.570 0.033 0.000 4.035 537 I HA 0.558 4.727 4.170 -0.001 0.000 0.321 537 I C 0.637 176.762 176.117 0.014 0.000 1.289 537 I CA 0.015 61.328 61.300 0.023 0.000 1.236 537 I CB 0.512 38.520 38.000 0.014 0.000 1.076 537 I HN 0.476 nan 8.210 nan 0.000 0.418 538 A N 1.469 124.297 122.820 0.012 0.000 2.491 538 A HA 0.741 5.060 4.320 -0.001 0.000 0.293 538 A C -1.062 176.527 177.584 0.007 0.000 1.047 538 A CA -0.555 51.488 52.037 0.009 0.000 0.735 538 A CB 1.425 20.429 19.000 0.007 0.000 1.281 538 A HN 0.250 nan 8.150 nan 0.000 0.398 539 R N 1.334 121.838 120.500 0.007 0.000 2.628 539 R HA 0.783 5.122 4.340 -0.001 0.000 0.288 539 R C -1.433 174.871 176.300 0.006 0.000 0.980 539 R CA -0.192 55.911 56.100 0.005 0.000 0.891 539 R CB 2.151 32.454 30.300 0.004 0.000 1.188 539 R HN 0.750 nan 8.270 nan 0.000 0.450 540 S N 0.774 116.478 115.700 0.006 0.000 2.540 540 S HA 0.351 4.820 4.470 -0.001 0.000 0.275 540 S C -1.425 173.180 174.600 0.009 0.000 1.123 540 S CA -0.374 57.830 58.200 0.007 0.000 0.907 540 S CB 1.878 65.082 63.200 0.007 0.000 1.081 540 S HN 0.554 nan 8.310 nan 0.000 0.476 541 T N 3.179 117.739 114.554 0.010 0.000 2.864 541 T HA 0.441 4.790 4.350 -0.001 0.000 0.310 541 T C -0.688 174.022 174.700 0.015 0.000 1.040 541 T CA -0.456 61.652 62.100 0.013 0.000 0.977 541 T CB 0.161 69.037 68.868 0.014 0.000 0.976 541 T HN 0.383 nan 8.240 nan 0.000 0.459 542 V N 7.562 127.487 119.914 0.018 0.000 2.400 542 V HA 0.146 4.265 4.120 -0.001 0.000 0.263 542 V C 0.981 177.088 176.094 0.021 0.000 1.026 542 V CA -0.284 62.027 62.300 0.018 0.000 1.077 542 V CB -0.653 31.182 31.823 0.019 0.000 1.054 542 V HN 0.720 nan 8.190 nan 0.000 0.477 543 K N 4.903 125.312 120.400 0.015 0.000 2.485 543 K HA 0.059 4.378 4.320 -0.001 0.000 0.277 543 K C 0.641 177.248 176.600 0.011 0.000 0.990 543 K CA 0.136 56.432 56.287 0.015 0.000 0.994 543 K CB 0.583 33.088 32.500 0.009 0.000 0.906 543 K HN 0.905 nan 8.250 nan 0.000 0.488 544 Q N 1.352 121.159 119.800 0.012 0.000 2.454 544 Q HA 0.142 4.481 4.340 -0.001 0.000 0.247 544 Q C -0.050 175.935 176.000 -0.026 0.000 1.028 544 Q CA -0.692 55.105 55.803 -0.009 0.000 0.910 544 Q CB 0.415 29.145 28.738 -0.012 0.000 1.276 544 Q HN 0.161 nan 8.270 nan 0.000 0.489 545 L N 0.000 121.195 121.223 -0.047 0.000 2.949 545 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 545 L CA 0.000 54.813 54.840 -0.046 0.000 0.813 545 L CB 0.000 42.026 42.059 -0.055 0.000 0.961 545 L HN 0.000 nan 8.230 nan 0.000 0.502