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 2wq8_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASAPIGSAIP RNNWAVTcDS AQSGNEcNKA IDGNKDTFWH TFYGANGDPK DATA SEQUENCE PPHTYTIDMK TTQNVNGLSV LPRQDGNQNG WIGRHEVYLS SDGTNWGSPV DATA SEQUENCE ASGSWFADST TKYSNFETRP ARYVRLVAIT EANGQPWTSI AEINVFQASS DATA SEQUENCE YTAPQPGLGR WGPTIDLPIV PAAAAIEPTS GRVLMWSSYR NDAFEGSPGG DATA SEQUENCE ITLTSSWDPS TGIVSDRTVT VTKHDMFCPG ISMDGNGQIV VTGGNDAKKT DATA SEQUENCE SLYDSSSDSW IPGPDMQVAR GYQSSATMSD GRVFTIGGSF SGGVFEKNGE DATA SEQUENCE VYSPSSKTWT SLPNAKVNPM LTADKQGLYK SDNHAWLFGW KKGSVFQAGP DATA SEQUENCE STAMNWYYTS GSGDVKSAGK RQSNRGVAPD AMCGNAVMYD AVKGKILTFG DATA SEQUENCE GSPDYTDSDA TTNAHIITLG EPGTSPNTVF ASNGLYFART FHTSVVLPDG DATA SEQUENCE STFITGGQRR GIIFEDSTPV FTPEIYVPEQ DTFYKQNPNS IVRAYHSISL DATA SEQUENCE LLPDGRVFNG GGGLCGDCTT NHFDAQIFTP NYLYDSNGNL ATRPKITRTS DATA SEQUENCE TQSVKVGGRI TISTDSSISK ASLIRYGTAT HTVNTDQRRI PLTLTNNGGN DATA SEQUENCE SYSFQVPSDS GVALPGYWML FVMNSAGVPS VASTIRVTQ 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.597 177.584 0.022 0.000 1.274 1 A CA 0.000 52.040 52.037 0.004 0.000 0.836 1 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 2 S N -0.327 115.370 115.700 -0.005 0.000 2.795 2 S HA 0.999 5.469 4.470 -0.001 0.000 0.308 2 S C -0.089 174.199 174.600 -0.521 0.000 1.098 2 S CA 0.302 58.383 58.200 -0.198 0.000 0.934 2 S CB 1.608 64.735 63.200 -0.122 0.000 1.300 2 S HN 2.526 nan 8.310 nan 0.000 0.566 3 A N 1.161 123.450 122.820 -0.884 0.000 2.610 3 A HA 0.824 5.143 4.320 -0.001 0.000 0.291 3 A C -3.114 173.824 177.584 -1.076 0.000 1.086 3 A CA -1.307 50.173 52.037 -0.929 0.000 0.677 3 A CB 1.340 20.083 19.000 -0.428 0.000 1.278 3 A HN 0.546 nan 8.150 nan 0.000 0.414 4 P HA 0.445 nan 4.420 nan 0.000 0.287 4 P C 0.594 177.637 177.300 -0.428 0.000 1.270 4 P CA -0.573 62.113 63.100 -0.690 0.000 0.844 4 P CB 0.777 31.734 31.700 -1.238 0.000 1.068 5 I N -1.659 118.725 120.570 -0.309 0.000 3.001 5 I HA 0.195 4.365 4.170 -0.001 0.000 0.268 5 I C 0.936 176.972 176.117 -0.135 0.000 1.267 5 I CA 0.510 61.700 61.300 -0.184 0.000 1.472 5 I CB -0.577 37.328 38.000 -0.159 0.000 1.089 5 I HN 0.234 nan 8.210 nan 0.000 0.468 6 G N 0.736 109.460 108.800 -0.127 0.000 3.175 6 G HA2 0.625 4.585 3.960 -0.001 0.000 0.255 6 G HA3 0.625 4.585 3.960 -0.001 0.000 0.255 6 G C -0.967 174.101 174.900 0.280 0.000 1.352 6 G CA -0.075 45.078 45.100 0.087 0.000 1.037 6 G HN 0.325 nan 8.290 nan 0.000 0.556 7 S N -1.314 114.576 115.700 0.316 0.000 2.532 7 S HA 0.725 5.194 4.470 -0.001 0.000 0.301 7 S C 0.061 174.777 174.600 0.194 0.000 1.083 7 S CA -0.091 58.301 58.200 0.320 0.000 1.025 7 S CB 1.631 64.917 63.200 0.143 0.000 1.056 7 S HN 1.504 nan 8.310 nan 0.000 0.494 8 A N 2.767 125.572 122.820 -0.026 0.000 2.488 8 A HA 0.452 4.771 4.320 -0.001 0.000 0.249 8 A C 0.244 177.699 177.584 -0.214 0.000 1.083 8 A CA -0.510 51.230 52.037 -0.494 0.000 0.768 8 A CB -0.564 18.183 19.000 -0.421 0.000 1.017 8 A HN 0.849 nan 8.150 nan 0.000 0.496 9 I N 4.194 124.666 120.570 -0.163 0.000 2.471 9 I HA 0.166 4.335 4.170 -0.001 0.000 0.286 9 I C -1.875 174.179 176.117 -0.105 0.000 1.079 9 I CA -1.646 59.663 61.300 0.016 0.000 1.398 9 I CB 1.018 39.173 38.000 0.259 0.000 1.403 9 I HN 0.451 nan 8.210 nan 0.000 0.530 10 P HA 0.131 nan 4.420 nan 0.000 0.268 10 P C -0.210 176.774 177.300 -0.527 0.000 1.205 10 P CA -0.069 62.877 63.100 -0.256 0.000 0.771 10 P CB 0.514 32.132 31.700 -0.136 0.000 0.858 11 R N 1.599 121.613 120.500 -0.809 0.000 2.397 11 R HA 0.091 4.430 4.340 -0.001 0.000 0.241 11 R C 1.141 177.019 176.300 -0.704 0.000 0.914 11 R CA 0.006 55.225 56.100 -1.468 0.000 1.071 11 R CB -0.279 29.118 30.300 -1.506 0.000 1.116 11 R HN 0.412 nan 8.270 nan 0.000 0.524 12 N N 1.835 120.312 118.700 -0.372 0.000 2.096 12 N HA -0.242 4.497 4.740 -0.001 0.000 0.195 12 N C 0.454 175.913 175.510 -0.084 0.000 1.017 12 N CA 1.813 54.757 53.050 -0.176 0.000 0.870 12 N CB -0.329 38.089 38.487 -0.115 0.000 1.024 12 N HN 0.376 nan 8.380 nan 0.000 0.434 13 N N -1.287 117.398 118.700 -0.024 0.000 2.251 13 N HA 0.065 4.804 4.740 -0.001 0.000 0.217 13 N C -0.841 174.798 175.510 0.215 0.000 1.124 13 N CA -0.497 52.602 53.050 0.081 0.000 0.843 13 N CB 0.205 38.743 38.487 0.086 0.000 1.024 13 N HN 0.158 nan 8.380 nan 0.000 0.501 14 W N 1.928 123.210 121.300 -0.031 0.000 2.218 14 W HA 0.479 5.139 4.660 0.000 0.000 0.326 14 W C 0.307 176.807 176.519 -0.032 0.000 1.276 14 W CA -1.538 55.787 57.345 -0.034 0.000 1.210 14 W CB 0.152 29.604 29.460 -0.014 0.000 1.143 14 W HN -0.136 nan 8.180 nan 0.000 0.563 15 A N 3.231 126.140 122.820 0.148 0.000 2.317 15 A HA 0.783 5.102 4.320 -0.001 0.000 0.327 15 A C -0.742 176.854 177.584 0.021 0.000 1.178 15 A CA -0.617 51.461 52.037 0.068 0.000 0.817 15 A CB 0.861 19.874 19.000 0.022 0.000 1.189 15 A HN 0.687 nan 8.150 nan 0.000 0.489 16 V N -0.306 119.594 119.914 -0.024 0.000 2.914 16 V HA 0.966 5.085 4.120 -0.001 0.000 0.314 16 V C -0.334 175.597 176.094 -0.272 0.000 1.084 16 V CA -0.414 61.784 62.300 -0.170 0.000 0.963 16 V CB 1.667 33.383 31.823 -0.180 0.000 1.025 16 V HN 0.804 nan 8.190 nan 0.000 0.432 17 T N 1.805 116.108 114.554 -0.417 0.000 2.933 17 T HA 0.658 5.008 4.350 -0.001 0.000 0.305 17 T C -1.032 173.352 174.700 -0.527 0.000 1.092 17 T CA -0.247 61.648 62.100 -0.341 0.000 1.008 17 T CB 1.449 70.213 68.868 -0.173 0.000 1.102 17 T HN 1.056 nan 8.240 nan 0.000 0.469 18 c N 2.114 120.466 118.600 -0.413 0.000 2.712 18 c HA 0.417 4.987 4.570 -0.001 0.000 0.308 18 c C 1.646 175.685 174.090 -0.085 0.000 1.201 18 c CA -0.897 55.202 56.329 -0.383 0.000 1.554 18 c CB 1.879 44.060 42.510 -0.549 0.000 2.117 18 c HN 1.087 nan 8.230 nan 0.000 0.480 19 D N 1.358 121.796 120.400 0.063 0.000 2.149 19 D HA -0.099 4.540 4.640 -0.001 0.000 0.198 19 D C 0.579 176.876 176.300 -0.004 0.000 0.990 19 D CA 1.654 55.697 54.000 0.072 0.000 0.839 19 D CB 0.053 40.944 40.800 0.152 0.000 0.948 19 D HN 0.665 nan 8.370 nan 0.000 0.460 20 S N -1.514 114.196 115.700 0.017 0.000 2.570 20 S HA 0.702 5.172 4.470 -0.001 0.000 0.270 20 S C -1.408 173.215 174.600 0.037 0.000 1.149 20 S CA -0.552 57.453 58.200 -0.326 0.000 0.837 20 S CB 2.252 64.837 63.200 -1.025 0.000 1.124 20 S HN 0.550 nan 8.310 nan 0.000 0.465 21 A N 1.108 123.913 122.820 -0.024 0.000 2.437 21 A HA 0.737 5.057 4.320 -0.001 0.000 0.293 21 A C -0.733 177.052 177.584 0.335 0.000 1.038 21 A CA -0.598 51.637 52.037 0.330 0.000 0.708 21 A CB 1.655 20.886 19.000 0.385 0.000 1.251 21 A HN 0.853 nan 8.150 nan 0.000 0.409 22 Q N 1.198 121.213 119.800 0.357 0.000 2.392 22 Q HA 0.420 4.759 4.340 -0.001 0.000 0.262 22 Q C 0.676 176.773 176.000 0.160 0.000 1.003 22 Q CA 0.617 56.576 55.803 0.259 0.000 0.888 22 Q CB 0.717 29.530 28.738 0.125 0.000 1.260 22 Q HN 1.050 nan 8.270 nan 0.000 0.435 23 S N 2.279 118.027 115.700 0.080 0.000 2.565 23 S HA 0.520 4.990 4.470 -0.001 0.000 0.276 23 S C 0.934 175.542 174.600 0.013 0.000 1.326 23 S CA 0.206 58.438 58.200 0.054 0.000 1.045 23 S CB 0.880 64.094 63.200 0.024 0.000 0.918 23 S HN 1.211 nan 8.310 nan 0.000 0.505 24 G N 3.640 112.445 108.800 0.010 0.000 2.317 24 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.227 24 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.227 24 G C 0.121 174.986 174.900 -0.058 0.000 1.042 24 G CA 0.246 45.327 45.100 -0.033 0.000 0.623 24 G HN 0.818 nan 8.290 nan 0.000 0.509 25 N N 1.346 120.054 118.700 0.013 0.000 2.598 25 N HA 0.452 5.192 4.740 -0.001 0.000 0.309 25 N C -0.536 175.129 175.510 0.257 0.000 1.645 25 N CA -0.401 52.676 53.050 0.045 0.000 0.936 25 N CB 0.795 39.328 38.487 0.077 0.000 1.323 25 N HN 0.371 nan 8.380 nan 0.000 0.497 26 E N -0.119 120.195 120.200 0.190 0.000 2.418 26 E HA -0.056 4.294 4.350 -0.001 0.000 0.261 26 E C 0.910 177.678 176.600 0.280 0.000 1.070 26 E CA -0.143 56.387 56.400 0.217 0.000 0.931 26 E CB 0.483 30.250 29.700 0.110 0.000 0.954 26 E HN 0.221 nan 8.360 nan 0.000 0.439 27 c N 2.664 121.348 118.600 0.140 0.000 2.375 27 c HA -0.247 4.323 4.570 -0.001 0.000 0.274 27 c C 1.930 176.026 174.090 0.009 0.000 1.190 27 c CA 1.893 58.106 56.329 -0.194 0.000 1.775 27 c CB -1.176 41.106 42.510 -0.380 0.000 2.067 27 c HN 0.911 nan 8.230 nan 0.000 0.463 28 N N -0.076 118.655 118.700 0.051 0.000 2.521 28 N HA -0.049 4.690 4.740 -0.001 0.000 0.188 28 N C 1.178 176.765 175.510 0.127 0.000 1.146 28 N CA 0.757 53.867 53.050 0.100 0.000 0.893 28 N CB -0.671 37.852 38.487 0.061 0.000 0.975 28 N HN 0.420 nan 8.380 nan 0.000 0.451 29 K N 0.558 121.050 120.400 0.153 0.000 2.360 29 K HA 0.104 4.423 4.320 -0.001 0.000 0.201 29 K C 1.386 178.095 176.600 0.181 0.000 1.046 29 K CA 0.835 57.206 56.287 0.139 0.000 0.945 29 K CB -0.423 32.145 32.500 0.114 0.000 0.750 29 K HN 0.428 nan 8.250 nan 0.000 0.464 30 A N 0.997 123.966 122.820 0.249 0.000 2.238 30 A HA 0.046 4.366 4.320 -0.001 0.000 0.208 30 A C 1.485 179.140 177.584 0.118 0.000 1.177 30 A CA 0.333 52.488 52.037 0.197 0.000 0.804 30 A CB -0.466 18.626 19.000 0.154 0.000 0.823 30 A HN 0.396 nan 8.150 nan 0.000 0.482 31 I N -4.053 116.589 120.570 0.121 0.000 3.597 31 I HA 0.285 4.454 4.170 -0.001 0.000 0.323 31 I C 0.150 176.262 176.117 -0.010 0.000 1.535 31 I CA -0.080 61.247 61.300 0.045 0.000 1.028 31 I CB 0.620 38.672 38.000 0.087 0.000 1.354 31 I HN 0.020 nan 8.210 nan 0.000 0.544 32 D N 0.997 121.405 120.400 0.013 0.000 2.350 32 D HA 0.175 4.814 4.640 -0.001 0.000 0.213 32 D C 1.633 177.918 176.300 -0.025 0.000 1.031 32 D CA 0.798 54.793 54.000 -0.009 0.000 0.861 32 D CB 0.316 41.123 40.800 0.012 0.000 0.926 32 D HN 0.498 nan 8.370 nan 0.000 0.520 33 G N 0.276 109.061 108.800 -0.024 0.000 2.157 33 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.239 33 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.239 33 G C -0.066 174.829 174.900 -0.008 0.000 0.982 33 G CA 0.024 45.104 45.100 -0.033 0.000 0.650 33 G HN 0.575 nan 8.290 nan 0.000 0.527 34 N N 0.431 119.138 118.700 0.011 0.000 2.425 34 N HA 0.423 5.163 4.740 -0.001 0.000 0.268 34 N C 1.156 176.694 175.510 0.048 0.000 0.991 34 N CA -0.500 52.564 53.050 0.023 0.000 0.931 34 N CB 1.019 39.519 38.487 0.021 0.000 1.130 34 N HN 0.266 nan 8.380 nan 0.000 0.493 35 K N 1.279 121.707 120.400 0.047 0.000 2.439 35 K HA 0.030 4.349 4.320 -0.001 0.000 0.197 35 K C -0.110 176.554 176.600 0.108 0.000 1.041 35 K CA 0.780 57.106 56.287 0.065 0.000 0.970 35 K CB 0.468 32.992 32.500 0.041 0.000 0.773 35 K HN 0.507 nan 8.250 nan 0.000 0.479 36 D N 0.598 121.059 120.400 0.102 0.000 2.363 36 D HA -0.015 4.624 4.640 -0.001 0.000 0.214 36 D C 0.104 176.497 176.300 0.155 0.000 1.093 36 D CA 0.439 54.522 54.000 0.138 0.000 0.837 36 D CB 0.632 41.486 40.800 0.089 0.000 0.948 36 D HN 0.203 nan 8.370 nan 0.000 0.507 37 T N -0.832 113.796 114.554 0.122 0.000 2.888 37 T HA 0.657 5.006 4.350 -0.001 0.000 0.284 37 T C -0.307 174.490 174.700 0.162 0.000 1.017 37 T CA -0.936 61.177 62.100 0.021 0.000 1.022 37 T CB 1.484 70.345 68.868 -0.012 0.000 1.013 37 T HN -0.005 nan 8.240 nan 0.000 0.465 38 F N -0.782 119.245 119.950 0.128 0.000 2.588 38 F HA 0.746 5.272 4.527 -0.001 0.000 0.310 38 F C -0.721 175.249 175.800 0.284 0.000 1.082 38 F CA -2.112 55.996 58.000 0.181 0.000 0.929 38 F CB 0.804 39.885 39.000 0.134 0.000 1.254 38 F HN 0.817 nan 8.300 nan 0.000 0.455 39 W N 4.352 125.816 121.300 0.274 0.000 2.158 39 W HA 0.439 5.099 4.660 -0.000 0.000 0.339 39 W C -1.138 175.636 176.519 0.425 0.000 1.294 39 W CA 0.192 57.705 57.345 0.280 0.000 1.231 39 W CB 0.239 29.887 29.460 0.312 0.000 1.143 39 W HN 0.780 nan 8.180 nan 0.000 0.571 40 H N 3.448 122.308 119.070 -0.350 0.000 3.026 40 H HA 0.190 4.745 4.556 -0.001 0.000 0.352 40 H C -0.252 174.798 175.328 -0.463 0.000 1.090 40 H CA 0.034 55.829 56.048 -0.422 0.000 1.268 40 H CB 1.499 31.320 29.762 0.098 0.000 1.816 40 H HN 0.510 nan 8.280 nan 0.000 0.518 41 T N 1.024 115.282 114.554 -0.493 0.000 2.726 41 T HA 0.206 4.556 4.350 -0.001 0.000 0.294 41 T C 0.683 175.616 174.700 0.387 0.000 1.013 41 T CA -0.589 61.415 62.100 -0.161 0.000 0.996 41 T CB 0.330 68.846 68.868 -0.587 0.000 1.016 41 T HN 0.200 nan 8.240 nan 0.000 0.529 42 F N 2.622 122.709 119.950 0.229 0.000 2.635 42 F HA 0.303 4.830 4.527 -0.000 0.000 0.379 42 F C 0.480 176.535 175.800 0.424 0.000 1.094 42 F CA -0.674 57.464 58.000 0.229 0.000 1.300 42 F CB -1.049 38.056 39.000 0.176 0.000 1.035 42 F HN 0.746 nan 8.300 nan 0.000 0.581 43 Y N -0.446 120.048 120.300 0.323 0.000 2.896 43 Y HA 0.773 5.322 4.550 -0.001 0.000 0.317 43 Y C 0.556 176.503 175.900 0.077 0.000 1.444 43 Y CA -1.417 56.836 58.100 0.254 0.000 1.084 43 Y CB 0.175 38.626 38.460 -0.014 0.000 1.382 43 Y HN 0.885 nan 8.280 nan 0.000 0.471 44 G N 0.826 109.756 108.800 0.216 0.000 2.611 44 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.301 44 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.301 44 G C 1.171 176.036 174.900 -0.058 0.000 1.233 44 G CA 1.499 46.610 45.100 0.019 0.000 0.993 44 G HN 1.871 nan 8.290 nan 0.000 0.553 45 A N -0.164 122.572 122.820 -0.140 0.000 2.076 45 A HA -0.054 4.266 4.320 -0.001 0.000 0.220 45 A C 1.957 179.431 177.584 -0.184 0.000 1.160 45 A CA 2.331 54.287 52.037 -0.135 0.000 0.653 45 A CB -0.560 18.350 19.000 -0.150 0.000 0.801 45 A HN 0.763 nan 8.150 nan 0.000 0.455 46 N N -0.848 117.683 118.700 -0.281 0.000 2.383 46 N HA 0.379 5.118 4.740 -0.001 0.000 0.192 46 N C 0.674 176.056 175.510 -0.214 0.000 1.141 46 N CA 0.400 53.175 53.050 -0.458 0.000 0.851 46 N CB 0.254 38.120 38.487 -1.034 0.000 0.976 46 N HN 0.664 nan 8.380 nan 0.000 0.465 47 G N 0.864 109.642 108.800 -0.037 0.000 2.814 47 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.677 47 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.677 47 G C -1.300 173.746 174.900 0.244 0.000 1.429 47 G CA -0.730 44.426 45.100 0.094 0.000 0.868 47 G HN 0.229 nan 8.290 nan 0.000 0.553 48 D N 1.728 122.292 120.400 0.272 0.000 2.634 48 D HA 0.321 4.961 4.640 -0.001 0.000 0.318 48 D C -2.096 174.334 176.300 0.217 0.000 1.226 48 D CA -0.669 53.546 54.000 0.357 0.000 0.899 48 D CB 1.321 42.307 40.800 0.310 0.000 1.025 48 D HN 0.368 nan 8.370 nan 0.000 0.501 49 P HA 0.091 nan 4.420 nan 0.000 0.271 49 P C 0.103 177.544 177.300 0.235 0.000 1.216 49 P CA -0.195 63.049 63.100 0.240 0.000 0.776 49 P CB 1.783 33.673 31.700 0.316 0.000 0.881 50 K N 3.208 123.646 120.400 0.063 0.000 2.090 50 K HA 0.416 4.735 4.320 -0.001 0.000 0.250 50 K C -2.226 174.194 176.600 -0.299 0.000 1.004 50 K CA -1.749 54.512 56.287 -0.044 0.000 0.919 50 K CB -0.199 32.250 32.500 -0.085 0.000 1.045 50 K HN 0.326 nan 8.250 nan 0.000 0.471 51 P HA 0.125 nan 4.420 nan 0.000 0.272 51 P C -2.500 174.619 177.300 -0.302 0.000 1.240 51 P CA -1.033 61.773 63.100 -0.491 0.000 0.791 51 P CB -0.200 31.426 31.700 -0.124 0.000 0.978 52 P HA 0.187 nan 4.420 nan 0.000 0.280 52 P C -0.597 176.520 177.300 -0.306 0.000 1.244 52 P CA 0.448 63.436 63.100 -0.187 0.000 0.784 52 P CB 0.386 32.041 31.700 -0.075 0.000 0.913 53 H N 0.502 119.636 119.070 0.107 0.000 2.651 53 H HA 0.582 5.137 4.556 -0.001 0.000 0.353 53 H C -0.218 175.246 175.328 0.228 0.000 1.178 53 H CA -0.207 55.949 56.048 0.180 0.000 1.224 53 H CB 1.781 31.675 29.762 0.219 0.000 1.702 53 H HN 0.243 nan 8.280 nan 0.000 0.550 54 T N 1.522 116.310 114.554 0.390 0.000 2.971 54 T HA 0.223 4.572 4.350 -0.001 0.000 0.304 54 T C -1.426 173.359 174.700 0.140 0.000 1.038 54 T CA -0.631 61.591 62.100 0.203 0.000 1.007 54 T CB 1.326 70.213 68.868 0.031 0.000 1.055 54 T HN 0.413 nan 8.240 nan 0.000 0.451 55 Y N 2.075 122.352 120.300 -0.038 0.000 2.331 55 Y HA 0.541 5.090 4.550 -0.001 0.000 0.334 55 Y C -0.408 175.406 175.900 -0.142 0.000 0.960 55 Y CA -0.429 57.539 58.100 -0.220 0.000 1.130 55 Y CB 1.405 39.731 38.460 -0.224 0.000 1.164 55 Y HN 0.593 nan 8.280 nan 0.000 0.458 56 T N 7.470 121.861 114.554 -0.271 0.000 2.807 56 T HA 0.575 4.924 4.350 -0.001 0.000 0.279 56 T C -0.579 174.077 174.700 -0.072 0.000 0.993 56 T CA -0.460 61.582 62.100 -0.096 0.000 0.970 56 T CB 0.703 69.528 68.868 -0.072 0.000 0.950 56 T HN 0.465 nan 8.240 nan 0.000 0.441 57 I N 2.860 123.449 120.570 0.032 0.000 2.406 57 I HA 0.313 4.482 4.170 -0.001 0.000 0.290 57 I C -0.504 175.511 176.117 -0.170 0.000 0.999 57 I CA -0.815 60.424 61.300 -0.102 0.000 1.124 57 I CB 1.684 39.529 38.000 -0.259 0.000 1.289 57 I HN 0.498 nan 8.210 nan 0.000 0.441 58 D N 7.200 127.459 120.400 -0.235 0.000 2.329 58 D HA 0.314 4.953 4.640 -0.001 0.000 0.232 58 D C 0.369 176.358 176.300 -0.519 0.000 1.088 58 D CA -0.319 53.406 54.000 -0.458 0.000 0.835 58 D CB 1.297 41.913 40.800 -0.305 0.000 1.078 58 D HN 0.448 nan 8.370 nan 0.000 0.495 59 M N 2.772 121.982 119.600 -0.650 0.000 2.495 59 M HA 0.031 4.510 4.480 -0.001 0.000 0.237 59 M C 0.733 176.910 176.300 -0.205 0.000 1.131 59 M CA -0.189 54.758 55.300 -0.588 0.000 1.032 59 M CB 0.128 32.396 32.600 -0.552 0.000 1.513 59 M HN 0.263 nan 8.290 nan 0.000 0.488 60 K N -0.983 119.256 120.400 -0.269 0.000 3.467 60 K HA -0.137 4.183 4.320 -0.001 0.000 0.375 60 K C 0.477 177.013 176.600 -0.107 0.000 0.589 60 K CA 2.152 58.354 56.287 -0.142 0.000 1.651 60 K CB -2.025 30.461 32.500 -0.023 0.000 1.135 60 K HN 0.593 nan 8.250 nan 0.000 0.459 61 T N -1.957 112.547 114.554 -0.083 0.000 2.907 61 T HA 0.561 4.910 4.350 -0.001 0.000 0.290 61 T C -0.037 174.628 174.700 -0.058 0.000 1.066 61 T CA -0.590 61.481 62.100 -0.049 0.000 1.012 61 T CB 2.380 71.245 68.868 -0.006 0.000 1.184 61 T HN -0.024 nan 8.240 nan 0.000 0.522 62 T N 3.062 117.597 114.554 -0.032 0.000 2.834 62 T HA 0.303 4.653 4.350 -0.001 0.000 0.298 62 T C -0.185 174.511 174.700 -0.008 0.000 0.966 62 T CA -0.363 61.722 62.100 -0.025 0.000 1.141 62 T CB 0.224 69.081 68.868 -0.017 0.000 0.905 62 T HN 0.439 nan 8.240 nan 0.000 0.535 63 Q N 2.358 122.156 119.800 -0.004 0.000 2.351 63 Q HA 0.363 4.702 4.340 -0.001 0.000 0.273 63 Q C -0.310 175.702 176.000 0.021 0.000 1.077 63 Q CA -0.980 54.837 55.803 0.024 0.000 0.843 63 Q CB 1.039 29.806 28.738 0.047 0.000 1.367 63 Q HN 0.430 nan 8.270 nan 0.000 0.449 64 N N 0.942 119.666 118.700 0.040 0.000 2.968 64 N HA 0.123 4.863 4.740 -0.001 0.000 0.271 64 N C -0.624 174.933 175.510 0.079 0.000 1.174 64 N CA 0.013 53.087 53.050 0.041 0.000 1.096 64 N CB 0.224 38.762 38.487 0.085 0.000 1.403 64 N HN 0.218 nan 8.380 nan 0.000 0.522 65 V N 2.530 122.506 119.914 0.104 0.000 2.529 65 V HA 0.025 4.144 4.120 -0.001 0.000 0.292 65 V C 1.251 177.463 176.094 0.196 0.000 1.028 65 V CA -0.104 62.306 62.300 0.183 0.000 1.074 65 V CB 0.565 32.551 31.823 0.270 0.000 0.958 65 V HN 0.617 nan 8.190 nan 0.000 0.481 66 N N 2.722 121.429 118.700 0.011 0.000 2.184 66 N HA 0.338 5.078 4.740 -0.001 0.000 0.234 66 N C -0.117 174.873 175.510 -0.868 0.000 1.282 66 N CA 0.478 53.324 53.050 -0.341 0.000 0.877 66 N CB 1.517 39.916 38.487 -0.146 0.000 1.184 66 N HN 0.781 nan 8.380 nan 0.000 0.510 67 G N 0.153 108.556 108.800 -0.661 0.000 2.356 67 G HA2 0.489 4.449 3.960 -0.001 0.000 0.294 67 G HA3 0.489 4.449 3.960 -0.001 0.000 0.294 67 G C -2.206 172.848 174.900 0.257 0.000 1.423 67 G CA -0.556 44.276 45.100 -0.447 0.000 0.806 67 G HN 0.399 nan 8.290 nan 0.000 0.527 68 L N -1.616 119.845 121.223 0.397 0.000 2.403 68 L HA 1.018 5.357 4.340 -0.001 0.000 0.253 68 L C -0.070 177.013 176.870 0.355 0.000 1.045 68 L CA -1.131 53.993 54.840 0.473 0.000 0.845 68 L CB 1.603 43.892 42.059 0.383 0.000 1.447 68 L HN 1.404 nan 8.230 nan 0.000 0.411 69 S N -0.530 115.324 115.700 0.257 0.000 2.564 69 S HA 0.929 5.398 4.470 -0.001 0.000 0.274 69 S C -1.295 173.203 174.600 -0.171 0.000 1.124 69 S CA -0.653 57.464 58.200 -0.140 0.000 0.869 69 S CB 1.872 64.954 63.200 -0.196 0.000 1.105 69 S HN 0.809 nan 8.310 nan 0.000 0.472 70 V N 2.622 122.289 119.914 -0.412 0.000 2.482 70 V HA 0.470 4.590 4.120 -0.001 0.000 0.295 70 V C -0.867 175.004 176.094 -0.372 0.000 1.026 70 V CA -0.621 61.490 62.300 -0.316 0.000 0.856 70 V CB 1.314 32.942 31.823 -0.325 0.000 1.001 70 V HN 0.916 nan 8.190 nan 0.000 0.424 71 L N 9.456 130.550 121.223 -0.215 0.000 2.283 71 L HA 0.574 4.914 4.340 -0.001 0.000 0.287 71 L C -2.344 174.464 176.870 -0.103 0.000 1.073 71 L CA -1.189 53.546 54.840 -0.175 0.000 0.822 71 L CB 1.048 43.049 42.059 -0.098 0.000 1.186 71 L HN 0.370 nan 8.230 nan 0.000 0.436 72 P HA 0.082 nan 4.420 nan 0.000 0.271 72 P C -1.020 176.284 177.300 0.006 0.000 1.244 72 P CA -0.353 62.733 63.100 -0.024 0.000 0.793 72 P CB 0.296 31.955 31.700 -0.069 0.000 0.984 73 R N 1.483 121.961 120.500 -0.036 0.000 2.756 73 R HA 0.012 4.352 4.340 -0.001 0.000 0.264 73 R C 0.164 176.440 176.300 -0.040 0.000 1.026 73 R CA 0.159 56.152 56.100 -0.177 0.000 1.121 73 R CB -0.166 29.685 30.300 -0.749 0.000 0.999 73 R HN 0.400 nan 8.270 nan 0.000 0.449 74 Q N 0.925 120.720 119.800 -0.008 0.000 2.149 74 Q HA -0.009 4.331 4.340 -0.001 0.000 0.221 74 Q C -0.066 175.952 176.000 0.029 0.000 0.807 74 Q CA 0.240 56.060 55.803 0.029 0.000 1.000 74 Q CB 0.708 29.470 28.738 0.039 0.000 1.157 74 Q HN 0.806 nan 8.270 nan 0.000 0.487 75 D N -0.319 120.084 120.400 0.005 0.000 2.323 75 D HA 0.051 4.690 4.640 -0.001 0.000 0.239 75 D C 1.177 177.469 176.300 -0.013 0.000 1.129 75 D CA 0.671 54.679 54.000 0.013 0.000 0.865 75 D CB -0.184 40.645 40.800 0.050 0.000 0.913 75 D HN 0.269 nan 8.370 nan 0.000 0.517 76 G N 0.430 109.231 108.800 0.001 0.000 2.184 76 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.264 76 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.264 76 G C 0.111 174.981 174.900 -0.051 0.000 0.975 76 G CA 0.259 45.364 45.100 0.008 0.000 0.642 76 G HN 0.666 nan 8.290 nan 0.000 0.536 77 N N 0.251 118.876 118.700 -0.125 0.000 2.456 77 N HA 0.492 5.232 4.740 -0.001 0.000 0.288 77 N C 1.529 176.801 175.510 -0.397 0.000 1.059 77 N CA 0.106 53.012 53.050 -0.240 0.000 0.946 77 N CB 0.430 38.761 38.487 -0.259 0.000 1.150 77 N HN 0.416 nan 8.380 nan 0.000 0.479 78 Q N 1.541 120.964 119.800 -0.629 0.000 2.425 78 Q HA 0.111 4.450 4.340 -0.001 0.000 0.204 78 Q C -0.530 174.782 176.000 -1.148 0.000 0.933 78 Q CA -0.037 54.904 55.803 -1.438 0.000 0.939 78 Q CB -0.005 27.695 28.738 -1.730 0.000 1.044 78 Q HN 0.451 nan 8.270 nan 0.000 0.513 79 N N 1.768 120.122 118.700 -0.577 0.000 2.414 79 N HA 0.110 4.850 4.740 -0.001 0.000 0.268 79 N C 0.707 176.081 175.510 -0.227 0.000 1.286 79 N CA 1.492 54.381 53.050 -0.267 0.000 0.896 79 N CB 0.892 39.216 38.487 -0.273 0.000 1.093 79 N HN 0.565 nan 8.380 nan 0.000 0.480 80 G N 1.208 109.965 108.800 -0.071 0.000 2.179 80 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.220 80 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.220 80 G C -0.319 174.613 174.900 0.054 0.000 0.990 80 G CA -0.612 44.445 45.100 -0.072 0.000 0.646 80 G HN 0.457 nan 8.290 nan 0.000 0.517 81 W N 0.912 122.190 121.300 -0.036 0.000 2.391 81 W HA 0.387 5.047 4.660 -0.001 0.000 0.339 81 W C 1.020 177.581 176.519 0.070 0.000 1.252 81 W CA -0.650 56.695 57.345 0.000 0.000 1.304 81 W CB -0.250 29.207 29.460 -0.004 0.000 1.179 81 W HN 0.165 nan 8.180 nan 0.000 0.567 82 I N 3.817 124.611 120.570 0.373 0.000 2.352 82 I HA 0.202 4.371 4.170 -0.001 0.000 0.290 82 I C 1.300 177.639 176.117 0.370 0.000 1.036 82 I CA 0.267 61.781 61.300 0.357 0.000 1.336 82 I CB 0.676 38.933 38.000 0.428 0.000 1.407 82 I HN 0.541 nan 8.210 nan 0.000 0.497 83 G N 6.678 115.629 108.800 0.252 0.000 2.722 83 G HA2 0.191 4.150 3.960 -0.001 0.000 0.201 83 G HA3 0.191 4.150 3.960 -0.001 0.000 0.201 83 G C 0.426 175.420 174.900 0.157 0.000 1.926 83 G CA -0.441 44.781 45.100 0.203 0.000 0.872 83 G HN 0.477 nan 8.290 nan 0.000 0.581 84 R N 1.419 121.960 120.500 0.069 0.000 2.590 84 R HA 0.343 4.682 4.340 -0.001 0.000 0.274 84 R C -0.250 176.020 176.300 -0.049 0.000 1.061 84 R CA 0.209 56.281 56.100 -0.046 0.000 1.081 84 R CB 0.358 30.637 30.300 -0.036 0.000 0.984 84 R HN 0.825 nan 8.270 nan 0.000 0.448 85 H N -0.622 118.321 119.070 -0.212 0.000 3.003 85 H HA 0.420 4.975 4.556 -0.001 0.000 0.327 85 H C -1.364 173.839 175.328 -0.208 0.000 1.353 85 H CA -1.010 54.898 56.048 -0.234 0.000 1.142 85 H CB 1.635 31.114 29.762 -0.472 0.000 1.864 85 H HN 0.613 nan 8.280 nan 0.000 0.529 86 E N 0.840 121.009 120.200 -0.051 0.000 2.356 86 E HA 0.500 4.849 4.350 -0.001 0.000 0.275 86 E C -1.324 175.213 176.600 -0.106 0.000 0.904 86 E CA -1.089 55.212 56.400 -0.165 0.000 0.757 86 E CB 3.655 33.240 29.700 -0.192 0.000 1.232 86 E HN 0.316 nan 8.360 nan 0.000 0.442 87 V N 2.723 122.492 119.914 -0.241 0.000 2.487 87 V HA 0.437 4.556 4.120 -0.001 0.000 0.298 87 V C -1.327 174.557 176.094 -0.349 0.000 1.028 87 V CA -0.681 61.538 62.300 -0.134 0.000 0.860 87 V CB 0.739 32.545 31.823 -0.029 0.000 0.991 87 V HN 0.573 nan 8.190 nan 0.000 0.427 88 Y N 4.226 124.514 120.300 -0.019 0.000 2.485 88 Y HA 0.734 5.283 4.550 -0.002 0.000 0.345 88 Y C -0.059 175.981 175.900 0.234 0.000 0.998 88 Y CA -0.815 57.338 58.100 0.088 0.000 1.059 88 Y CB 1.956 40.505 38.460 0.149 0.000 1.234 88 Y HN 0.382 nan 8.280 nan 0.000 0.461 89 L N 1.440 122.896 121.223 0.389 0.000 2.323 89 L HA 0.793 5.132 4.340 -0.001 0.000 0.265 89 L C -0.458 176.548 176.870 0.226 0.000 1.012 89 L CA -0.828 54.199 54.840 0.312 0.000 0.820 89 L CB 2.241 44.368 42.059 0.113 0.000 1.334 89 L HN 0.617 nan 8.230 nan 0.000 0.427 90 S N -1.091 114.615 115.700 0.011 0.000 2.537 90 S HA 0.332 4.801 4.470 -0.001 0.000 0.271 90 S C 0.152 174.654 174.600 -0.163 0.000 1.148 90 S CA -0.090 57.898 58.200 -0.354 0.000 0.868 90 S CB 1.809 64.233 63.200 -1.292 0.000 1.115 90 S HN 0.705 nan 8.310 nan 0.000 0.461 91 S N 1.479 117.064 115.700 -0.192 0.000 2.503 91 S HA 0.112 4.581 4.470 -0.001 0.000 0.215 91 S C 0.578 175.103 174.600 -0.126 0.000 1.003 91 S CA 0.765 58.933 58.200 -0.053 0.000 0.910 91 S CB -0.253 62.915 63.200 -0.053 0.000 0.790 91 S HN 0.783 nan 8.310 nan 0.000 0.514 92 D N -0.372 119.753 120.400 -0.458 0.000 2.469 92 D HA 0.340 4.979 4.640 -0.001 0.000 0.213 92 D C 1.365 176.976 176.300 -1.149 0.000 1.135 92 D CA 0.437 54.103 54.000 -0.557 0.000 0.834 92 D CB -0.320 40.261 40.800 -0.365 0.000 1.009 92 D HN 0.436 nan 8.370 nan 0.000 0.507 93 G N -0.797 106.935 108.800 -1.780 0.000 2.184 93 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.264 93 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.264 93 G C 1.056 175.450 174.900 -0.844 0.000 0.975 93 G CA 0.918 44.996 45.100 -1.704 0.000 0.642 93 G HN 0.422 nan 8.290 nan 0.000 0.536 94 T N -0.387 113.662 114.554 -0.841 0.000 3.115 94 T HA 0.185 4.534 4.350 -0.001 0.000 0.256 94 T C 0.624 175.055 174.700 -0.449 0.000 0.970 94 T CA 0.325 62.169 62.100 -0.427 0.000 1.010 94 T CB 0.131 68.836 68.868 -0.271 0.000 1.151 94 T HN 0.297 nan 8.240 nan 0.000 0.479 95 N N 0.835 119.196 118.700 -0.564 0.000 2.426 95 N HA 0.202 4.941 4.740 -0.001 0.000 0.257 95 N C -0.693 174.489 175.510 -0.547 0.000 1.002 95 N CA -0.094 52.723 53.050 -0.388 0.000 0.942 95 N CB 1.163 39.499 38.487 -0.252 0.000 1.112 95 N HN 0.420 nan 8.380 nan 0.000 0.499 96 W N 1.569 122.803 121.300 -0.109 0.000 2.993 96 W HA 0.258 4.921 4.660 0.004 0.000 0.290 96 W C 1.545 178.102 176.519 0.063 0.000 1.203 96 W CA 0.376 57.675 57.345 -0.077 0.000 1.582 96 W CB 0.292 29.579 29.460 -0.289 0.000 1.033 96 W HN 0.746 nan 8.180 nan 0.000 0.594 97 G N 0.904 109.829 108.800 0.208 0.000 2.552 97 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.265 97 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.265 97 G C 0.025 175.108 174.900 0.306 0.000 1.234 97 G CA 0.024 45.239 45.100 0.192 0.000 0.944 97 G HN 0.020 nan 8.290 nan 0.000 0.568 98 S N 2.432 118.272 115.700 0.233 0.000 2.617 98 S HA 0.667 5.136 4.470 -0.001 0.000 0.283 98 S C -2.257 172.382 174.600 0.065 0.000 1.189 98 S CA -0.587 57.727 58.200 0.190 0.000 1.036 98 S CB 1.736 64.991 63.200 0.091 0.000 1.014 98 S HN 0.644 nan 8.310 nan 0.000 0.522 99 P HA 0.024 nan 4.420 nan 0.000 0.266 99 P C 0.794 177.917 177.300 -0.294 0.000 1.195 99 P CA -0.226 62.519 63.100 -0.591 0.000 0.768 99 P CB 0.317 31.663 31.700 -0.590 0.000 0.838 100 V N 0.020 119.721 119.914 -0.355 0.000 3.406 100 V HA 0.472 4.591 4.120 -0.001 0.000 0.263 100 V C 0.561 176.491 176.094 -0.274 0.000 1.172 100 V CA 0.928 63.029 62.300 -0.331 0.000 1.140 100 V CB -0.940 30.522 31.823 -0.601 0.000 0.784 100 V HN 0.561 nan 8.190 nan 0.000 0.467 101 A N 0.149 122.814 122.820 -0.257 0.000 2.574 101 A HA 0.880 5.199 4.320 -0.001 0.000 0.297 101 A C -0.398 177.102 177.584 -0.142 0.000 1.062 101 A CA 0.225 52.216 52.037 -0.076 0.000 0.686 101 A CB 1.735 20.814 19.000 0.131 0.000 1.285 101 A HN 1.244 nan 8.150 nan 0.000 0.403 102 S N -0.130 115.482 115.700 -0.147 0.000 2.587 102 S HA 0.973 5.442 4.470 -0.001 0.000 0.269 102 S C -0.049 174.349 174.600 -0.337 0.000 1.154 102 S CA 0.313 58.331 58.200 -0.305 0.000 0.824 102 S CB 1.037 64.113 63.200 -0.207 0.000 1.118 102 S HN 2.813 nan 8.310 nan 0.000 0.462 103 G N 0.580 109.038 108.800 -0.570 0.000 2.366 103 G HA2 0.435 4.394 3.960 -0.001 0.000 0.190 103 G HA3 0.435 4.394 3.960 -0.001 0.000 0.190 103 G C -1.306 173.317 174.900 -0.463 0.000 1.299 103 G CA -0.083 44.831 45.100 -0.311 0.000 1.056 103 G HN 1.519 nan 8.290 nan 0.000 0.468 104 S N -0.595 115.018 115.700 -0.144 0.000 2.541 104 S HA 0.703 5.173 4.470 -0.001 0.000 0.280 104 S C -1.524 173.204 174.600 0.214 0.000 1.112 104 S CA -0.519 57.688 58.200 0.013 0.000 0.925 104 S CB 1.714 64.977 63.200 0.105 0.000 1.067 104 S HN 0.539 nan 8.310 nan 0.000 0.479 105 W N 1.965 123.430 121.300 0.275 0.000 2.496 105 W HA 0.493 5.153 4.660 -0.001 0.000 0.327 105 W C -0.046 176.539 176.519 0.111 0.000 1.086 105 W CA -2.007 55.424 57.345 0.143 0.000 1.222 105 W CB 0.486 29.953 29.460 0.011 0.000 1.304 105 W HN 0.635 nan 8.180 nan 0.000 0.547 106 F N 2.195 122.244 119.950 0.165 0.000 2.553 106 F HA 0.298 4.824 4.527 -0.001 0.000 0.356 106 F C 0.798 176.576 175.800 -0.036 0.000 1.142 106 F CA -0.061 57.970 58.000 0.052 0.000 1.322 106 F CB 0.721 39.702 39.000 -0.033 0.000 1.126 106 F HN 0.367 nan 8.300 nan 0.000 0.599 107 A N 5.005 127.451 122.820 -0.623 0.000 2.915 107 A HA 0.402 4.721 4.320 -0.001 0.000 0.292 107 A C -0.911 176.233 177.584 -0.734 0.000 1.632 107 A CA 0.135 51.924 52.037 -0.413 0.000 1.337 107 A CB -1.260 17.677 19.000 -0.106 0.000 1.111 107 A HN 0.757 nan 8.150 nan 0.000 0.569 108 D N -1.002 118.770 120.400 -1.046 0.000 2.838 108 D HA 0.245 4.885 4.640 -0.001 0.000 0.334 108 D C 0.230 175.574 176.300 -1.593 0.000 1.315 108 D CA 0.204 53.398 54.000 -1.343 0.000 0.917 108 D CB -0.000 40.632 40.800 -0.280 0.000 1.435 108 D HN 0.167 nan 8.370 nan 0.000 0.517 109 S N -1.608 113.576 115.700 -0.859 0.000 2.614 109 S HA 0.252 4.721 4.470 -0.001 0.000 0.230 109 S C 0.576 174.968 174.600 -0.346 0.000 0.952 109 S CA 0.060 57.943 58.200 -0.529 0.000 0.949 109 S CB -1.313 61.854 63.200 -0.055 0.000 0.786 109 S HN 0.753 nan 8.310 nan 0.000 0.478 110 T N -0.145 114.191 114.554 -0.364 0.000 2.882 110 T HA 0.366 4.715 4.350 -0.001 0.000 0.287 110 T C 0.221 174.697 174.700 -0.373 0.000 1.014 110 T CA -0.427 61.499 62.100 -0.290 0.000 1.049 110 T CB 0.508 69.220 68.868 -0.260 0.000 1.001 110 T HN 0.155 nan 8.240 nan 0.000 0.525 111 T N 3.524 117.878 114.554 -0.333 0.000 2.928 111 T HA 0.218 4.567 4.350 -0.001 0.000 0.305 111 T C 0.271 174.557 174.700 -0.690 0.000 1.035 111 T CA -0.272 61.543 62.100 -0.476 0.000 1.145 111 T CB 0.133 68.768 68.868 -0.389 0.000 0.963 111 T HN 0.439 nan 8.240 nan 0.000 0.545 112 K N 2.088 121.890 120.400 -0.997 0.000 2.208 112 K HA 0.534 4.853 4.320 -0.001 0.000 0.247 112 K C -1.049 174.814 176.600 -1.228 0.000 0.953 112 K CA -0.615 54.900 56.287 -1.286 0.000 0.837 112 K CB 1.547 32.656 32.500 -2.317 0.000 1.131 112 K HN 0.561 nan 8.250 nan 0.000 0.431 113 Y N -0.781 119.239 120.300 -0.467 0.000 2.499 113 Y HA 0.333 4.882 4.550 -0.001 0.000 0.347 113 Y C -0.024 176.024 175.900 0.247 0.000 0.987 113 Y CA -0.654 57.384 58.100 -0.104 0.000 1.044 113 Y CB 2.523 40.915 38.460 -0.113 0.000 1.245 113 Y HN 0.330 nan 8.280 nan 0.000 0.461 114 S N 2.791 118.773 115.700 0.470 0.000 2.640 114 S HA 0.403 4.873 4.470 -0.001 0.000 0.320 114 S C -1.065 173.719 174.600 0.306 0.000 1.097 114 S CA -0.891 57.620 58.200 0.519 0.000 1.092 114 S CB 0.198 63.776 63.200 0.630 0.000 0.988 114 S HN 0.469 nan 8.310 nan 0.000 0.470 115 N N 3.294 122.111 118.700 0.195 0.000 2.408 115 N HA 0.714 5.453 4.740 -0.001 0.000 0.280 115 N C -0.879 174.632 175.510 0.002 0.000 1.002 115 N CA -0.333 52.669 53.050 -0.080 0.000 0.907 115 N CB 1.159 39.631 38.487 -0.025 0.000 1.161 115 N HN 0.558 nan 8.380 nan 0.000 0.488 116 F N -1.647 118.343 119.950 0.068 0.000 2.686 116 F HA 0.481 5.007 4.527 -0.001 0.000 0.311 116 F C -0.087 175.737 175.800 0.041 0.000 1.128 116 F CA -1.267 56.766 58.000 0.055 0.000 0.946 116 F CB 0.681 39.726 39.000 0.075 0.000 1.336 116 F HN -0.031 nan 8.300 nan 0.000 0.457 117 E N 1.290 121.671 120.200 0.302 0.000 2.452 117 E HA 0.095 4.444 4.350 -0.001 0.000 0.261 117 E C -0.167 176.606 176.600 0.287 0.000 0.987 117 E CA 0.171 56.691 56.400 0.199 0.000 0.926 117 E CB 0.484 30.311 29.700 0.212 0.000 0.934 117 E HN 0.675 nan 8.360 nan 0.000 0.452 118 T N 4.137 118.801 114.554 0.184 0.000 2.923 118 T HA -0.016 4.333 4.350 -0.001 0.000 0.304 118 T C 0.577 175.394 174.700 0.195 0.000 1.044 118 T CA 0.547 62.768 62.100 0.202 0.000 1.141 118 T CB 0.368 69.369 68.868 0.222 0.000 1.023 118 T HN 0.152 nan 8.240 nan 0.000 0.533 119 R N 3.338 123.889 120.500 0.085 0.000 2.548 119 R HA 0.317 4.656 4.340 -0.001 0.000 0.280 119 R C -3.159 173.027 176.300 -0.190 0.000 1.061 119 R CA -2.176 53.858 56.100 -0.110 0.000 0.915 119 R CB 2.190 32.515 30.300 0.040 0.000 1.210 119 R HN 0.338 nan 8.270 nan 0.000 0.442 120 P HA 0.269 nan 4.420 nan 0.000 0.271 120 P C -1.396 175.843 177.300 -0.103 0.000 1.216 120 P CA 0.152 63.110 63.100 -0.237 0.000 0.771 120 P CB 1.156 32.681 31.700 -0.292 0.000 0.864 121 A N 2.982 125.779 122.820 -0.039 0.000 2.605 121 A HA 0.513 4.832 4.320 -0.001 0.000 0.294 121 A C 0.328 177.908 177.584 -0.006 0.000 1.062 121 A CA -0.555 51.480 52.037 -0.002 0.000 0.682 121 A CB 1.294 20.320 19.000 0.043 0.000 1.278 121 A HN 0.504 nan 8.150 nan 0.000 0.410 122 R N -0.545 119.964 120.500 0.014 0.000 2.250 122 R HA 0.277 4.616 4.340 -0.001 0.000 0.194 122 R C -0.892 175.239 176.300 -0.282 0.000 0.927 122 R CA 0.631 56.658 56.100 -0.122 0.000 1.052 122 R CB 0.187 30.412 30.300 -0.125 0.000 1.055 122 R HN 0.662 nan 8.270 nan 0.000 0.537 123 Y N -0.038 120.210 120.300 -0.088 0.000 2.429 123 Y HA 0.521 5.070 4.550 -0.002 0.000 0.342 123 Y C -0.545 175.465 175.900 0.184 0.000 1.004 123 Y CA -1.071 57.030 58.100 0.000 0.000 1.075 123 Y CB 2.286 40.719 38.460 -0.045 0.000 1.214 123 Y HN -0.322 nan 8.280 nan 0.000 0.455 124 V N 3.717 123.839 119.914 0.347 0.000 2.638 124 V HA 0.594 4.713 4.120 -0.001 0.000 0.306 124 V C -0.740 175.506 176.094 0.253 0.000 1.052 124 V CA -1.101 61.385 62.300 0.310 0.000 0.885 124 V CB 2.068 33.961 31.823 0.118 0.000 0.999 124 V HN 0.756 nan 8.190 nan 0.000 0.424 125 R N 3.854 124.445 120.500 0.151 0.000 2.561 125 R HA 0.731 5.070 4.340 -0.001 0.000 0.297 125 R C -1.982 174.360 176.300 0.071 0.000 0.969 125 R CA -0.727 55.325 56.100 -0.080 0.000 0.879 125 R CB 1.807 31.665 30.300 -0.736 0.000 1.178 125 R HN 0.598 nan 8.270 nan 0.000 0.445 126 L N 5.324 126.623 121.223 0.127 0.000 2.287 126 L HA 0.451 4.791 4.340 -0.001 0.000 0.287 126 L C -1.441 175.535 176.870 0.177 0.000 1.022 126 L CA -0.456 54.490 54.840 0.178 0.000 0.814 126 L CB 1.874 44.068 42.059 0.225 0.000 1.217 126 L HN 0.428 nan 8.230 nan 0.000 0.420 127 V N 5.156 125.169 119.914 0.165 0.000 2.398 127 V HA 0.677 4.796 4.120 -0.001 0.000 0.286 127 V C 0.439 176.635 176.094 0.171 0.000 1.026 127 V CA -0.479 61.914 62.300 0.155 0.000 0.868 127 V CB 1.256 33.158 31.823 0.133 0.000 0.982 127 V HN 0.934 nan 8.190 nan 0.000 0.443 128 A N 5.285 128.231 122.820 0.210 0.000 2.391 128 A HA 0.582 4.902 4.320 -0.001 0.000 0.316 128 A C 0.836 178.493 177.584 0.122 0.000 1.381 128 A CA -0.275 51.881 52.037 0.199 0.000 0.998 128 A CB -0.092 19.073 19.000 0.274 0.000 1.147 128 A HN 0.851 nan 8.150 nan 0.000 0.545 129 I N 1.530 122.144 120.570 0.074 0.000 2.233 129 I HA -0.059 4.110 4.170 -0.001 0.000 0.243 129 I C 1.475 177.602 176.117 0.017 0.000 1.093 129 I CA 1.655 62.970 61.300 0.024 0.000 1.380 129 I CB 0.032 38.034 38.000 0.003 0.000 1.067 129 I HN 0.704 nan 8.210 nan 0.000 0.413 130 T N -2.640 111.940 114.554 0.043 0.000 2.916 130 T HA 0.361 4.710 4.350 -0.001 0.000 0.292 130 T C -0.441 174.309 174.700 0.084 0.000 1.064 130 T CA -0.872 61.252 62.100 0.041 0.000 1.011 130 T CB 2.589 71.476 68.868 0.031 0.000 1.152 130 T HN -0.051 nan 8.240 nan 0.000 0.510 131 E N -0.008 120.232 120.200 0.066 0.000 2.349 131 E HA 0.449 4.799 4.350 -0.001 0.000 0.265 131 E C 1.084 177.750 176.600 0.110 0.000 1.064 131 E CA -0.295 56.162 56.400 0.094 0.000 0.886 131 E CB 1.581 31.304 29.700 0.039 0.000 1.036 131 E HN 0.820 nan 8.360 nan 0.000 0.413 132 A N 4.050 126.980 122.820 0.184 0.000 2.014 132 A HA -0.128 4.191 4.320 -0.001 0.000 0.218 132 A C 1.310 178.972 177.584 0.130 0.000 1.163 132 A CA 1.327 53.484 52.037 0.200 0.000 0.652 132 A CB -0.230 18.974 19.000 0.339 0.000 0.808 132 A HN 0.689 nan 8.150 nan 0.000 0.449 133 N N -1.533 117.220 118.700 0.088 0.000 2.214 133 N HA 0.360 5.100 4.740 -0.001 0.000 0.214 133 N C 0.773 176.280 175.510 -0.004 0.000 1.132 133 N CA 0.639 53.709 53.050 0.033 0.000 0.856 133 N CB 0.693 39.178 38.487 -0.004 0.000 1.020 133 N HN 0.493 nan 8.380 nan 0.000 0.509 134 G N 0.284 109.079 108.800 -0.010 0.000 2.157 134 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.248 134 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.248 134 G C 0.078 174.910 174.900 -0.113 0.000 0.979 134 G CA -0.096 44.978 45.100 -0.044 0.000 0.650 134 G HN 0.349 nan 8.290 nan 0.000 0.529 135 Q N -0.172 119.538 119.800 -0.151 0.000 2.316 135 Q HA 0.382 4.721 4.340 -0.001 0.000 0.215 135 Q C -1.553 174.149 176.000 -0.497 0.000 1.020 135 Q CA -1.428 54.156 55.803 -0.364 0.000 0.970 135 Q CB 0.861 29.407 28.738 -0.319 0.000 1.187 135 Q HN 0.108 nan 8.270 nan 0.000 0.546 136 P HA -0.079 nan 4.420 nan 0.000 0.222 136 P C -0.583 176.483 177.300 -0.389 0.000 1.153 136 P CA 0.971 63.630 63.100 -0.734 0.000 0.798 136 P CB 0.291 31.422 31.700 -0.948 0.000 0.796 137 W N -0.645 120.667 121.300 0.021 0.000 2.390 137 W HA 0.463 5.122 4.660 -0.001 0.000 0.362 137 W C 0.007 176.372 176.519 -0.257 0.000 1.206 137 W CA -0.060 57.180 57.345 -0.174 0.000 1.355 137 W CB -0.172 29.119 29.460 -0.280 0.000 1.278 137 W HN -0.345 nan 8.180 nan 0.000 0.653 138 T N 1.277 115.634 114.554 -0.328 0.000 2.893 138 T HA 0.499 4.848 4.350 -0.001 0.000 0.293 138 T C -0.500 173.738 174.700 -0.769 0.000 1.027 138 T CA -0.518 61.363 62.100 -0.365 0.000 0.988 138 T CB 1.883 70.608 68.868 -0.239 0.000 1.043 138 T HN 0.375 nan 8.240 nan 0.000 0.461 139 S N 1.748 117.169 115.700 -0.464 0.000 2.588 139 S HA 0.886 5.355 4.470 -0.001 0.000 0.275 139 S C -1.377 173.219 174.600 -0.007 0.000 1.130 139 S CA -0.904 57.082 58.200 -0.357 0.000 0.855 139 S CB 1.409 64.432 63.200 -0.294 0.000 1.116 139 S HN 0.660 nan 8.310 nan 0.000 0.472 140 I N 0.789 121.493 120.570 0.222 0.000 2.667 140 I HA 0.393 4.563 4.170 -0.001 0.000 0.288 140 I C 0.671 176.967 176.117 0.298 0.000 1.267 140 I CA -0.942 60.506 61.300 0.247 0.000 1.055 140 I CB 2.019 40.213 38.000 0.323 0.000 1.294 140 I HN 0.888 nan 8.210 nan 0.000 0.429 141 A N 4.627 127.567 122.820 0.200 0.000 1.930 141 A HA 0.180 4.499 4.320 -0.001 0.000 0.215 141 A C 0.613 178.284 177.584 0.145 0.000 1.176 141 A CA 1.303 53.479 52.037 0.231 0.000 0.632 141 A CB 0.183 19.282 19.000 0.165 0.000 0.819 141 A HN 0.667 nan 8.150 nan 0.000 0.445 142 E N -1.222 119.018 120.200 0.067 0.000 2.321 142 E HA 0.438 4.788 4.350 -0.001 0.000 0.281 142 E C -1.763 174.824 176.600 -0.021 0.000 0.910 142 E CA -0.255 56.159 56.400 0.023 0.000 0.770 142 E CB 1.707 31.409 29.700 0.003 0.000 1.225 142 E HN 0.339 nan 8.360 nan 0.000 0.417 143 I N 2.513 123.063 120.570 -0.033 0.000 2.433 143 I HA 0.384 4.553 4.170 -0.001 0.000 0.292 143 I C -0.877 175.276 176.117 0.059 0.000 1.001 143 I CA -0.513 60.767 61.300 -0.034 0.000 1.119 143 I CB 0.865 38.759 38.000 -0.178 0.000 1.289 143 I HN 0.275 nan 8.210 nan 0.000 0.438 144 N N 5.714 124.457 118.700 0.072 0.000 2.292 144 N HA 0.545 5.285 4.740 -0.001 0.000 0.303 144 N C -1.390 174.181 175.510 0.100 0.000 1.140 144 N CA -0.446 52.616 53.050 0.019 0.000 0.788 144 N CB 2.751 41.115 38.487 -0.206 0.000 1.361 144 N HN 0.238 nan 8.380 nan 0.000 0.489 145 V N 1.880 121.859 119.914 0.108 0.000 2.628 145 V HA 0.559 4.678 4.120 -0.001 0.000 0.306 145 V C -0.824 175.178 176.094 -0.153 0.000 1.045 145 V CA -0.626 61.754 62.300 0.133 0.000 0.905 145 V CB 1.215 33.150 31.823 0.186 0.000 0.997 145 V HN 0.462 nan 8.190 nan 0.000 0.436 146 F N 2.370 122.398 119.950 0.130 0.000 2.522 146 F HA 0.676 5.202 4.527 -0.002 0.000 0.324 146 F C 0.318 176.147 175.800 0.049 0.000 1.077 146 F CA -0.533 57.512 58.000 0.075 0.000 0.944 146 F CB 1.949 40.964 39.000 0.024 0.000 1.175 146 F HN 0.560 nan 8.300 nan 0.000 0.468 147 Q N 1.696 121.617 119.800 0.203 0.000 2.433 147 Q HA 0.908 5.248 4.340 -0.001 0.000 0.279 147 Q C -1.389 174.672 176.000 0.102 0.000 1.105 147 Q CA -1.388 54.492 55.803 0.129 0.000 0.815 147 Q CB 2.384 31.181 28.738 0.099 0.000 1.403 147 Q HN 0.711 nan 8.270 nan 0.000 0.435 148 A N 0.977 123.838 122.820 0.068 0.000 2.242 148 A HA 0.423 4.742 4.320 -0.001 0.000 0.304 148 A C 0.692 178.301 177.584 0.041 0.000 1.100 148 A CA -0.283 51.776 52.037 0.036 0.000 0.860 148 A CB 0.690 19.698 19.000 0.015 0.000 1.168 148 A HN 0.851 nan 8.150 nan 0.000 0.503 149 S N -0.270 115.442 115.700 0.020 0.000 2.447 149 S HA 0.062 4.531 4.470 -0.001 0.000 0.233 149 S C 0.685 175.305 174.600 0.034 0.000 1.006 149 S CA 1.041 59.255 58.200 0.023 0.000 0.957 149 S CB -0.519 62.685 63.200 0.007 0.000 0.773 149 S HN 1.148 nan 8.310 nan 0.000 0.507 150 S N -0.677 115.049 115.700 0.044 0.000 2.661 150 S HA 0.599 5.069 4.470 -0.001 0.000 0.268 150 S C -1.679 173.005 174.600 0.139 0.000 1.162 150 S CA -1.027 57.217 58.200 0.072 0.000 0.817 150 S CB 1.279 64.497 63.200 0.029 0.000 1.141 150 S HN 0.205 nan 8.310 nan 0.000 0.477 151 Y N 0.802 121.101 120.300 -0.001 0.000 2.391 151 Y HA 0.690 5.237 4.550 -0.004 0.000 0.341 151 Y C -1.144 174.755 175.900 -0.002 0.000 0.965 151 Y CA -0.312 57.788 58.100 0.001 0.000 1.067 151 Y CB 2.084 40.553 38.460 0.016 0.000 1.199 151 Y HN 0.837 nan 8.280 nan 0.000 0.450 152 T N 5.746 119.845 114.554 -0.758 0.000 2.812 152 T HA 0.709 5.058 4.350 -0.001 0.000 0.282 152 T C -0.323 173.802 174.700 -0.958 0.000 0.990 152 T CA -0.493 61.180 62.100 -0.711 0.000 0.960 152 T CB 1.107 69.783 68.868 -0.320 0.000 0.948 152 T HN 0.908 nan 8.240 nan 0.000 0.438 153 A N 5.402 127.749 122.820 -0.788 0.000 2.531 153 A HA 0.454 4.774 4.320 -0.001 0.000 0.236 153 A C -1.586 175.898 177.584 -0.168 0.000 1.062 153 A CA -0.903 50.933 52.037 -0.335 0.000 0.760 153 A CB -0.520 18.424 19.000 -0.094 0.000 0.995 153 A HN 0.618 nan 8.150 nan 0.000 0.501 154 P HA 0.065 nan 4.420 nan 0.000 0.269 154 P C -0.792 176.480 177.300 -0.047 0.000 1.209 154 P CA 0.127 63.209 63.100 -0.029 0.000 0.776 154 P CB 0.421 32.119 31.700 -0.003 0.000 0.876 155 Q N 2.583 122.363 119.800 -0.033 0.000 2.288 155 Q HA 0.289 4.629 4.340 -0.001 0.000 0.254 155 Q C -2.109 173.856 176.000 -0.058 0.000 0.932 155 Q CA -1.827 53.954 55.803 -0.038 0.000 0.902 155 Q CB -0.382 28.346 28.738 -0.018 0.000 1.203 155 Q HN 0.360 nan 8.270 nan 0.000 0.415 156 P HA -0.091 nan 4.420 nan 0.000 0.264 156 P C 0.597 177.852 177.300 -0.075 0.000 1.183 156 P CA 1.235 64.283 63.100 -0.087 0.000 0.763 156 P CB 0.422 32.089 31.700 -0.055 0.000 0.807 157 G N 2.260 110.999 108.800 -0.103 0.000 2.241 157 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.244 157 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.244 157 G C 0.389 175.256 174.900 -0.054 0.000 0.998 157 G CA -0.049 45.011 45.100 -0.067 0.000 0.621 157 G HN 0.499 nan 8.290 nan 0.000 0.519 158 L N 1.136 122.331 121.223 -0.046 0.000 3.062 158 L HA 0.539 4.879 4.340 -0.001 0.000 0.255 158 L C 1.394 178.297 176.870 0.053 0.000 1.274 158 L CA 0.060 54.920 54.840 0.033 0.000 1.047 158 L CB -0.144 41.959 42.059 0.073 0.000 1.402 158 L HN 1.081 nan 8.230 nan 0.000 0.550 159 G N 1.139 109.853 108.800 -0.143 0.000 2.782 159 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.228 159 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.228 159 G C -0.670 173.952 174.900 -0.464 0.000 1.372 159 G CA -0.828 44.004 45.100 -0.446 0.000 0.862 159 G HN 0.250 nan 8.290 nan 0.000 0.547 160 R N -1.555 118.519 120.500 -0.709 0.000 2.668 160 R HA 0.436 4.775 4.340 -0.001 0.000 0.272 160 R C -1.400 174.693 176.300 -0.346 0.000 1.019 160 R CA -0.703 55.197 56.100 -0.334 0.000 0.894 160 R CB 1.610 31.789 30.300 -0.201 0.000 1.228 160 R HN 0.533 nan 8.270 nan 0.000 0.460 161 W N 0.560 121.874 121.300 0.023 0.000 2.469 161 W HA 0.589 5.248 4.660 -0.002 0.000 0.320 161 W C 0.646 177.200 176.519 0.059 0.000 1.086 161 W CA 0.384 57.791 57.345 0.103 0.000 1.211 161 W CB 2.089 31.648 29.460 0.166 0.000 1.298 161 W HN 0.878 nan 8.180 nan 0.000 0.525 162 G N 3.433 112.423 108.800 0.317 0.000 2.375 162 G HA2 0.038 3.997 3.960 -0.001 0.000 0.663 162 G HA3 0.038 3.997 3.960 -0.001 0.000 0.663 162 G C -3.009 171.959 174.900 0.114 0.000 1.391 162 G CA -1.512 43.711 45.100 0.204 0.000 0.949 162 G HN 0.231 nan 8.290 nan 0.000 0.646 163 P HA 0.458 nan 4.420 nan 0.000 0.275 163 P C 0.158 177.487 177.300 0.047 0.000 1.266 163 P CA -0.009 63.125 63.100 0.057 0.000 0.793 163 P CB 0.567 32.278 31.700 0.019 0.000 1.074 164 T N 1.069 115.659 114.554 0.060 0.000 2.889 164 T HA 0.360 4.709 4.350 -0.001 0.000 0.291 164 T C 0.186 174.852 174.700 -0.057 0.000 0.995 164 T CA -0.128 61.994 62.100 0.036 0.000 1.092 164 T CB 0.015 68.980 68.868 0.162 0.000 0.954 164 T HN 0.143 nan 8.240 nan 0.000 0.506 165 I N 3.650 124.124 120.570 -0.161 0.000 2.328 165 I HA 0.294 4.463 4.170 -0.001 0.000 0.287 165 I C -0.032 176.054 176.117 -0.052 0.000 1.012 165 I CA -0.901 60.267 61.300 -0.220 0.000 1.195 165 I CB 1.079 38.757 38.000 -0.537 0.000 1.350 165 I HN 0.496 nan 8.210 nan 0.000 0.464 166 D N 7.177 127.590 120.400 0.021 0.000 2.304 166 D HA 0.577 5.216 4.640 -0.001 0.000 0.250 166 D C -0.020 176.383 176.300 0.172 0.000 1.107 166 D CA 0.025 54.128 54.000 0.172 0.000 0.885 166 D CB 1.983 42.928 40.800 0.241 0.000 1.192 166 D HN 0.309 nan 8.370 nan 0.000 0.436 167 L N 2.941 124.343 121.223 0.298 0.000 2.333 167 L HA 0.384 4.724 4.340 -0.001 0.000 0.263 167 L C -1.803 175.329 176.870 0.436 0.000 1.014 167 L CA -1.779 53.250 54.840 0.316 0.000 0.820 167 L CB 2.887 45.115 42.059 0.281 0.000 1.352 167 L HN 0.175 nan 8.230 nan 0.000 0.421 168 P HA 0.143 nan 4.420 nan 0.000 0.261 168 P C -0.444 177.176 177.300 0.533 0.000 1.268 168 P CA 0.522 63.915 63.100 0.490 0.000 0.833 168 P CB 0.261 32.239 31.700 0.464 0.000 1.231 169 I N -5.468 115.381 120.570 0.464 0.000 3.191 169 I HA 0.476 4.645 4.170 -0.001 0.000 0.313 169 I C -0.874 175.229 176.117 -0.024 0.000 1.193 169 I CA -1.791 59.647 61.300 0.230 0.000 0.968 169 I CB 2.358 40.442 38.000 0.140 0.000 1.262 169 I HN -0.507 nan 8.210 nan 0.000 0.456 170 V N 3.631 123.316 119.914 -0.381 0.000 2.405 170 V HA 0.260 4.380 4.120 -0.001 0.000 0.264 170 V C -2.000 174.007 176.094 -0.144 0.000 1.048 170 V CA -1.132 60.964 62.300 -0.340 0.000 0.966 170 V CB 0.415 31.977 31.823 -0.435 0.000 1.015 170 V HN 0.586 nan 8.190 nan 0.000 0.477 171 P HA 0.226 nan 4.420 nan 0.000 0.247 171 P C 0.417 177.620 177.300 -0.162 0.000 1.756 171 P CA -0.110 62.950 63.100 -0.067 0.000 1.117 171 P CB 0.985 32.711 31.700 0.043 0.000 1.869 172 A N 2.565 125.243 122.820 -0.237 0.000 2.169 172 A HA 0.429 4.749 4.320 -0.001 0.000 0.212 172 A C 1.060 178.374 177.584 -0.451 0.000 1.153 172 A CA 0.611 52.445 52.037 -0.339 0.000 0.756 172 A CB 0.006 18.761 19.000 -0.408 0.000 0.813 172 A HN 0.512 nan 8.150 nan 0.000 0.471 173 A N -1.528 120.915 122.820 -0.628 0.000 2.498 173 A HA 0.857 5.177 4.320 -0.001 0.000 0.298 173 A C -0.425 176.599 177.584 -0.933 0.000 1.075 173 A CA 0.024 51.503 52.037 -0.930 0.000 0.714 173 A CB 1.223 19.217 19.000 -1.677 0.000 1.299 173 A HN 1.638 nan 8.150 nan 0.000 0.407 174 A N -0.446 121.960 122.820 -0.689 0.000 2.586 174 A HA 1.028 5.348 4.320 -0.001 0.000 0.290 174 A C -0.730 176.765 177.584 -0.147 0.000 1.086 174 A CA 0.005 51.830 52.037 -0.354 0.000 0.665 174 A CB 0.774 19.697 19.000 -0.129 0.000 1.279 174 A HN 2.722 nan 8.150 nan 0.000 0.423 175 A N 0.300 123.112 122.820 -0.013 0.000 2.589 175 A HA 0.647 4.967 4.320 -0.001 0.000 0.296 175 A C -1.332 176.266 177.584 0.023 0.000 1.062 175 A CA -0.474 51.595 52.037 0.054 0.000 0.686 175 A CB 0.718 19.810 19.000 0.153 0.000 1.282 175 A HN 0.916 nan 8.150 nan 0.000 0.404 176 I N 1.341 121.953 120.570 0.069 0.000 2.428 176 I HA 0.225 4.395 4.170 -0.001 0.000 0.289 176 I C 0.421 176.536 176.117 -0.004 0.000 1.019 176 I CA -0.006 61.339 61.300 0.075 0.000 1.351 176 I CB 0.925 39.090 38.000 0.275 0.000 1.412 176 I HN 0.706 nan 8.210 nan 0.000 0.513 177 E N 7.853 128.015 120.200 -0.064 0.000 2.001 177 E HA 0.187 4.536 4.350 -0.001 0.000 0.279 177 E C -1.697 174.745 176.600 -0.263 0.000 1.045 177 E CA -1.408 54.935 56.400 -0.095 0.000 0.833 177 E CB 0.908 30.593 29.700 -0.025 0.000 1.077 177 E HN 0.355 nan 8.360 nan 0.000 0.397 178 P HA -0.147 nan 4.420 nan 0.000 0.221 178 P C 1.343 178.231 177.300 -0.686 0.000 1.150 178 P CA 1.080 63.565 63.100 -1.024 0.000 0.800 178 P CB 0.216 30.863 31.700 -1.754 0.000 0.787 179 T N -4.181 110.038 114.554 -0.559 0.000 3.067 179 T HA -0.001 4.349 4.350 -0.001 0.000 0.261 179 T C 1.663 176.249 174.700 -0.190 0.000 1.110 179 T CA 1.219 63.113 62.100 -0.345 0.000 1.113 179 T CB -0.741 67.970 68.868 -0.261 0.000 0.917 179 T HN 0.161 nan 8.240 nan 0.000 0.499 180 S N -0.362 115.241 115.700 -0.162 0.000 2.554 180 S HA 0.537 5.006 4.470 -0.001 0.000 0.227 180 S C 1.870 176.417 174.600 -0.089 0.000 1.050 180 S CA 0.397 58.538 58.200 -0.099 0.000 0.927 180 S CB 0.026 63.185 63.200 -0.070 0.000 0.859 180 S HN 1.116 nan 8.310 nan 0.000 0.494 181 G N 1.616 110.364 108.800 -0.085 0.000 2.175 181 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.244 181 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.244 181 G C 0.098 174.958 174.900 -0.066 0.000 0.982 181 G CA -0.174 44.902 45.100 -0.039 0.000 0.641 181 G HN 0.557 nan 8.290 nan 0.000 0.527 182 R N -0.369 120.083 120.500 -0.080 0.000 2.560 182 R HA 0.538 4.877 4.340 -0.001 0.000 0.270 182 R C 0.104 176.362 176.300 -0.070 0.000 1.074 182 R CA -0.454 55.590 56.100 -0.094 0.000 1.140 182 R CB 1.372 31.632 30.300 -0.067 0.000 1.073 182 R HN 0.072 nan 8.270 nan 0.000 0.527 183 V N 3.768 123.640 119.914 -0.070 0.000 2.383 183 V HA 0.154 4.273 4.120 -0.001 0.000 0.275 183 V C -0.257 175.809 176.094 -0.046 0.000 1.036 183 V CA -0.624 61.596 62.300 -0.133 0.000 0.889 183 V CB 1.085 32.627 31.823 -0.467 0.000 0.985 183 V HN 0.423 nan 8.190 nan 0.000 0.459 184 L N 7.101 128.301 121.223 -0.038 0.000 2.307 184 L HA 0.742 5.082 4.340 -0.001 0.000 0.282 184 L C -0.333 176.607 176.870 0.116 0.000 1.051 184 L CA 0.286 55.149 54.840 0.038 0.000 0.804 184 L CB 1.159 43.170 42.059 -0.080 0.000 1.197 184 L HN 0.675 nan 8.230 nan 0.000 0.431 185 M N 4.555 124.282 119.600 0.212 0.000 2.550 185 M HA 0.589 5.068 4.480 -0.001 0.000 0.292 185 M C -1.701 174.814 176.300 0.359 0.000 1.221 185 M CA -0.327 55.062 55.300 0.147 0.000 0.873 185 M CB 2.307 34.977 32.600 0.117 0.000 1.727 185 M HN 0.744 nan 8.290 nan 0.000 0.459 186 W N -0.504 120.833 121.300 0.062 0.000 3.074 186 W HA 0.807 5.466 4.660 -0.001 0.000 0.332 186 W C -0.542 175.998 176.519 0.035 0.000 1.253 186 W CA -0.459 56.913 57.345 0.045 0.000 1.180 186 W CB 0.231 29.700 29.460 0.014 0.000 1.445 186 W HN 0.705 nan 8.180 nan 0.000 0.573 187 S N 0.325 116.193 115.700 0.279 0.000 3.214 187 S HA 0.707 5.177 4.470 -0.001 0.000 0.182 187 S C 0.442 175.234 174.600 0.320 0.000 0.728 187 S CA 0.726 59.025 58.200 0.165 0.000 0.814 187 S CB 0.448 63.666 63.200 0.030 0.000 0.859 187 S HN 0.986 nan 8.310 nan 0.000 0.647 188 S N -0.781 115.052 115.700 0.223 0.000 3.047 188 S HA 0.306 4.775 4.470 -0.001 0.000 0.308 188 S C -0.175 174.541 174.600 0.193 0.000 1.245 188 S CA 0.146 58.504 58.200 0.263 0.000 1.109 188 S CB -0.654 62.659 63.200 0.188 0.000 1.417 188 S HN 0.673 nan 8.310 nan 0.000 0.555 189 Y N 1.610 121.951 120.300 0.070 0.000 2.509 189 Y HA 0.521 5.071 4.550 -0.001 0.000 0.293 189 Y C 0.741 176.659 175.900 0.029 0.000 1.133 189 Y CA 0.375 58.502 58.100 0.046 0.000 1.283 189 Y CB -0.165 38.320 38.460 0.041 0.000 1.001 189 Y HN 0.236 nan 8.280 nan 0.000 0.555 190 R N 0.846 121.032 120.500 -0.523 0.000 2.888 190 R HA 0.186 4.525 4.340 -0.001 0.000 0.266 190 R C 0.775 176.910 176.300 -0.276 0.000 1.020 190 R CA -0.195 55.608 56.100 -0.495 0.000 0.963 190 R CB 0.811 30.641 30.300 -0.783 0.000 1.197 190 R HN 0.248 nan 8.270 nan 0.000 0.481 191 N N 0.345 118.874 118.700 -0.286 0.000 2.309 191 N HA -0.164 4.576 4.740 -0.001 0.000 0.182 191 N C 0.224 175.599 175.510 -0.226 0.000 1.018 191 N CA 1.565 54.489 53.050 -0.209 0.000 0.876 191 N CB 0.018 38.288 38.487 -0.362 0.000 0.972 191 N HN 0.633 nan 8.380 nan 0.000 0.434 192 D N -2.177 118.061 120.400 -0.270 0.000 2.594 192 D HA 0.414 5.053 4.640 -0.001 0.000 0.256 192 D C -0.547 175.599 176.300 -0.257 0.000 1.393 192 D CA -0.532 53.288 54.000 -0.301 0.000 0.797 192 D CB -0.081 40.553 40.800 -0.276 0.000 1.110 192 D HN 0.351 nan 8.370 nan 0.000 0.495 193 A N 0.016 122.665 122.820 -0.285 0.000 2.475 193 A HA 0.625 4.944 4.320 -0.001 0.000 0.301 193 A C -0.617 176.824 177.584 -0.239 0.000 1.059 193 A CA -0.974 50.877 52.037 -0.309 0.000 0.710 193 A CB 0.892 19.680 19.000 -0.354 0.000 1.288 193 A HN 0.185 nan 8.150 nan 0.000 0.408 194 F N -0.517 119.280 119.950 -0.254 0.000 2.789 194 F HA 0.445 4.971 4.527 -0.001 0.000 0.320 194 F C 0.326 176.176 175.800 0.082 0.000 1.079 194 F CA -0.216 57.642 58.000 -0.237 0.000 1.205 194 F CB 0.019 38.361 39.000 -1.096 0.000 1.046 194 F HN 0.487 nan 8.300 nan 0.000 0.586 195 E N 1.322 121.137 120.200 -0.641 0.000 2.366 195 E HA 0.393 4.743 4.350 -0.001 0.000 0.266 195 E C 1.003 177.564 176.600 -0.065 0.000 1.051 195 E CA 0.296 56.493 56.400 -0.338 0.000 0.884 195 E CB 0.817 30.227 29.700 -0.483 0.000 1.006 195 E HN 0.530 nan 8.360 nan 0.000 0.417 196 G N 2.419 111.180 108.800 -0.065 0.000 2.179 196 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.257 196 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.257 196 G C 0.344 175.050 174.900 -0.325 0.000 1.010 196 G CA 0.577 45.613 45.100 -0.106 0.000 0.736 196 G HN 0.478 nan 8.290 nan 0.000 0.513 197 S N 0.800 116.206 115.700 -0.490 0.000 2.552 197 S HA 0.392 4.862 4.470 -0.001 0.000 0.289 197 S C 0.161 174.424 174.600 -0.563 0.000 1.304 197 S CA -0.052 57.501 58.200 -1.077 0.000 1.063 197 S CB 0.916 63.819 63.200 -0.495 0.000 0.848 197 S HN 0.314 nan 8.310 nan 0.000 0.499 198 P HA 0.228 nan 4.420 nan 0.000 0.253 198 P C 0.660 177.880 177.300 -0.133 0.000 1.260 198 P CA 0.450 63.417 63.100 -0.221 0.000 0.800 198 P CB -0.856 30.765 31.700 -0.132 0.000 1.162 199 G N -0.297 108.423 108.800 -0.133 0.000 2.814 199 G HA2 0.136 4.096 3.960 -0.001 0.000 0.677 199 G HA3 0.136 4.096 3.960 -0.001 0.000 0.677 199 G C 0.497 175.403 174.900 0.011 0.000 1.429 199 G CA -0.119 44.967 45.100 -0.025 0.000 0.868 199 G HN 0.658 nan 8.290 nan 0.000 0.553 200 G N -1.308 107.519 108.800 0.046 0.000 2.195 200 G HA2 0.099 4.058 3.960 -0.001 0.000 0.246 200 G HA3 0.099 4.058 3.960 -0.001 0.000 0.246 200 G C 0.468 175.395 174.900 0.043 0.000 0.984 200 G CA 1.270 46.395 45.100 0.041 0.000 0.633 200 G HN 2.479 nan 8.290 nan 0.000 0.525 201 I N 0.193 120.800 120.570 0.063 0.000 2.680 201 I HA 0.672 4.842 4.170 -0.001 0.000 0.291 201 I C -1.172 174.978 176.117 0.055 0.000 1.244 201 I CA -0.528 60.804 61.300 0.053 0.000 1.042 201 I CB 2.080 40.135 38.000 0.091 0.000 1.277 201 I HN -0.020 nan 8.210 nan 0.000 0.423 202 T N 7.844 122.369 114.554 -0.047 0.000 2.809 202 T HA 0.485 4.835 4.350 -0.001 0.000 0.284 202 T C -0.359 174.326 174.700 -0.026 0.000 0.992 202 T CA -0.471 61.591 62.100 -0.064 0.000 0.957 202 T CB 1.298 69.979 68.868 -0.313 0.000 0.942 202 T HN 0.384 nan 8.240 nan 0.000 0.439 203 L N 4.376 125.641 121.223 0.069 0.000 2.360 203 L HA 0.436 4.776 4.340 -0.001 0.000 0.276 203 L C 1.119 178.082 176.870 0.155 0.000 1.121 203 L CA -0.410 54.496 54.840 0.110 0.000 0.845 203 L CB 0.373 42.510 42.059 0.130 0.000 1.143 203 L HN 0.743 nan 8.230 nan 0.000 0.452 204 T N -0.112 114.536 114.554 0.157 0.000 2.930 204 T HA 0.645 4.994 4.350 -0.001 0.000 0.290 204 T C -0.410 174.430 174.700 0.233 0.000 1.052 204 T CA -0.738 61.501 62.100 0.233 0.000 1.017 204 T CB 2.292 71.300 68.868 0.233 0.000 1.137 204 T HN 0.482 nan 8.240 nan 0.000 0.511 205 S N 0.253 116.103 115.700 0.250 0.000 2.564 205 S HA 0.767 5.236 4.470 -0.001 0.000 0.274 205 S C -1.153 173.576 174.600 0.214 0.000 1.124 205 S CA -0.454 57.882 58.200 0.227 0.000 0.869 205 S CB 1.413 64.754 63.200 0.235 0.000 1.105 205 S HN 1.534 nan 8.310 nan 0.000 0.472 206 S N 2.319 118.138 115.700 0.199 0.000 2.549 206 S HA 0.753 5.223 4.470 -0.001 0.000 0.280 206 S C -1.707 173.036 174.600 0.239 0.000 1.109 206 S CA -0.722 57.583 58.200 0.175 0.000 0.905 206 S CB 1.265 64.535 63.200 0.117 0.000 1.081 206 S HN 0.841 nan 8.310 nan 0.000 0.477 207 W N 2.753 124.057 121.300 0.007 0.000 2.600 207 W HA 0.572 5.231 4.660 -0.002 0.000 0.325 207 W C -1.447 175.061 176.519 -0.018 0.000 1.034 207 W CA -0.594 56.764 57.345 0.021 0.000 1.226 207 W CB 1.595 31.095 29.460 0.066 0.000 1.379 207 W HN 0.764 nan 8.180 nan 0.000 0.466 208 D N 7.524 127.605 120.400 -0.531 0.000 2.359 208 D HA 0.286 4.926 4.640 -0.001 0.000 0.230 208 D C -1.651 173.942 176.300 -1.179 0.000 1.118 208 D CA -2.381 51.243 54.000 -0.627 0.000 0.844 208 D CB 2.233 42.838 40.800 -0.325 0.000 1.059 208 D HN 0.117 nan 8.370 nan 0.000 0.493 209 P HA -0.091 nan 4.420 nan 0.000 0.222 209 P C 1.025 177.956 177.300 -0.615 0.000 1.147 209 P CA 0.834 63.125 63.100 -1.348 0.000 0.790 209 P CB 0.256 31.577 31.700 -0.632 0.000 0.780 210 S N -2.483 112.969 115.700 -0.413 0.000 2.517 210 S HA 0.020 4.490 4.470 -0.001 0.000 0.214 210 S C 1.499 175.994 174.600 -0.175 0.000 0.991 210 S CA 0.849 58.916 58.200 -0.221 0.000 0.906 210 S CB -1.213 61.899 63.200 -0.148 0.000 0.789 210 S HN 0.213 nan 8.310 nan 0.000 0.513 211 T N -3.646 110.777 114.554 -0.218 0.000 3.010 211 T HA 0.506 4.855 4.350 -0.001 0.000 0.257 211 T C 1.655 176.288 174.700 -0.113 0.000 1.020 211 T CA 0.646 62.666 62.100 -0.132 0.000 0.938 211 T CB -0.046 68.757 68.868 -0.109 0.000 1.049 211 T HN 1.082 nan 8.240 nan 0.000 0.522 212 G N 1.984 110.658 108.800 -0.210 0.000 2.189 212 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.267 212 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.267 212 G C 0.124 175.074 174.900 0.082 0.000 0.975 212 G CA 0.213 45.327 45.100 0.023 0.000 0.644 212 G HN 0.594 nan 8.290 nan 0.000 0.537 213 I N 1.017 121.556 120.570 -0.052 0.000 2.529 213 I HA 0.280 4.450 4.170 -0.001 0.000 0.284 213 I C 0.824 177.027 176.117 0.142 0.000 1.082 213 I CA -0.203 61.119 61.300 0.036 0.000 1.406 213 I CB 1.244 39.241 38.000 -0.005 0.000 1.405 213 I HN -0.121 nan 8.210 nan 0.000 0.548 214 V N 6.694 126.720 119.914 0.186 0.000 2.370 214 V HA 0.388 4.508 4.120 -0.001 0.000 0.283 214 V C 0.381 176.566 176.094 0.151 0.000 1.023 214 V CA -0.281 62.156 62.300 0.228 0.000 0.857 214 V CB 1.511 33.466 31.823 0.221 0.000 0.985 214 V HN 0.987 nan 8.190 nan 0.000 0.443 215 S N 3.320 119.110 115.700 0.150 0.000 2.806 215 S HA 0.945 5.415 4.470 -0.001 0.000 0.315 215 S C -1.268 173.425 174.600 0.155 0.000 1.127 215 S CA -0.861 57.416 58.200 0.129 0.000 0.918 215 S CB 2.441 65.702 63.200 0.101 0.000 1.240 215 S HN 0.768 nan 8.310 nan 0.000 0.552 216 D N -1.255 119.232 120.400 0.145 0.000 2.599 216 D HA 0.694 5.334 4.640 -0.001 0.000 0.252 216 D C -0.892 175.498 176.300 0.150 0.000 1.232 216 D CA -0.670 53.429 54.000 0.166 0.000 0.819 216 D CB 1.123 42.035 40.800 0.188 0.000 1.401 216 D HN 0.822 nan 8.370 nan 0.000 0.429 217 R N -0.540 120.055 120.500 0.158 0.000 2.563 217 R HA 0.551 4.890 4.340 -0.001 0.000 0.262 217 R C -1.718 174.649 176.300 0.112 0.000 1.128 217 R CA -0.466 55.717 56.100 0.139 0.000 0.969 217 R CB 1.848 32.249 30.300 0.167 0.000 1.251 217 R HN 0.460 nan 8.270 nan 0.000 0.442 218 T N 3.649 118.256 114.554 0.089 0.000 2.743 218 T HA 0.334 4.683 4.350 -0.001 0.000 0.293 218 T C -0.693 174.013 174.700 0.010 0.000 0.945 218 T CA -0.306 61.830 62.100 0.061 0.000 1.030 218 T CB 1.074 69.988 68.868 0.076 0.000 0.912 218 T HN 0.287 nan 8.240 nan 0.000 0.483 219 V N 4.975 124.842 119.914 -0.079 0.000 2.328 219 V HA 0.330 4.449 4.120 -0.001 0.000 0.278 219 V C 1.240 177.254 176.094 -0.133 0.000 1.021 219 V CA -0.517 61.677 62.300 -0.176 0.000 0.838 219 V CB 0.930 32.430 31.823 -0.539 0.000 0.999 219 V HN 1.122 nan 8.190 nan 0.000 0.447 220 T N 0.432 114.955 114.554 -0.051 0.000 2.975 220 T HA 0.017 4.367 4.350 -0.001 0.000 0.257 220 T C 1.492 176.193 174.700 0.003 0.000 1.003 220 T CA 0.608 62.699 62.100 -0.016 0.000 0.932 220 T CB 0.713 69.591 68.868 0.017 0.000 1.087 220 T HN 0.271 nan 8.240 nan 0.000 0.512 221 V N 3.671 123.594 119.914 0.015 0.000 2.720 221 V HA -0.071 4.048 4.120 -0.001 0.000 0.256 221 V C 2.301 178.428 176.094 0.055 0.000 1.082 221 V CA 2.283 64.611 62.300 0.047 0.000 1.101 221 V CB -0.741 31.129 31.823 0.078 0.000 0.693 221 V HN 0.865 nan 8.190 nan 0.000 0.479 222 T N -3.535 111.043 114.554 0.040 0.000 3.105 222 T HA 0.192 4.541 4.350 -0.001 0.000 0.253 222 T C 0.661 175.401 174.700 0.067 0.000 1.047 222 T CA -0.121 62.024 62.100 0.075 0.000 0.944 222 T CB -0.265 68.673 68.868 0.116 0.000 1.016 222 T HN 0.557 nan 8.240 nan 0.000 0.544 223 K N 1.322 121.748 120.400 0.042 0.000 3.311 223 K HA -0.252 4.068 4.320 -0.001 0.000 0.270 223 K C -0.424 176.223 176.600 0.077 0.000 0.927 223 K CA 0.639 56.950 56.287 0.041 0.000 0.706 223 K CB -2.153 30.362 32.500 0.025 0.000 1.418 223 K HN 0.856 nan 8.250 nan 0.000 0.459 224 H N 0.262 119.296 119.070 -0.060 0.000 3.018 224 H HA 0.127 4.683 4.556 -0.001 0.000 0.334 224 H C -1.349 173.936 175.328 -0.072 0.000 0.983 224 H CA -1.019 54.992 56.048 -0.062 0.000 1.363 224 H CB 1.232 30.937 29.762 -0.094 0.000 1.668 224 H HN 0.194 nan 8.280 nan 0.000 0.513 225 D N 5.622 126.156 120.400 0.222 0.000 2.365 225 D HA 0.056 4.696 4.640 -0.001 0.000 0.237 225 D C 0.491 176.889 176.300 0.162 0.000 1.190 225 D CA -0.213 53.882 54.000 0.158 0.000 0.867 225 D CB 0.848 41.775 40.800 0.212 0.000 1.050 225 D HN 0.664 nan 8.370 nan 0.000 0.491 226 M N 3.718 123.254 119.600 -0.108 0.000 2.530 226 M HA 0.100 4.580 4.480 -0.001 0.000 0.231 226 M C 0.356 176.826 176.300 0.283 0.000 1.180 226 M CA -0.538 54.625 55.300 -0.227 0.000 0.985 226 M CB -0.015 32.121 32.600 -0.772 0.000 1.623 226 M HN 0.302 nan 8.290 nan 0.000 0.475 227 F N 0.279 120.367 119.950 0.230 0.000 2.572 227 F HA 0.026 4.552 4.527 -0.001 0.000 0.370 227 F C 0.848 176.753 175.800 0.174 0.000 1.103 227 F CA 0.126 58.258 58.000 0.221 0.000 1.286 227 F CB 0.332 39.462 39.000 0.218 0.000 1.105 227 F HN 0.286 nan 8.300 nan 0.000 0.583 228 C N 4.664 123.497 119.300 -0.778 0.000 4.614 228 C HA -0.113 4.347 4.460 -0.001 0.000 0.300 228 C C -2.470 172.407 174.990 -0.189 0.000 1.301 228 C CA -0.061 58.535 59.018 -0.704 0.000 2.073 228 C CB -2.927 24.384 27.740 -0.715 0.000 1.219 228 C HN 0.768 nan 8.230 nan 0.000 0.772 229 P HA 0.585 nan 4.420 nan 0.000 0.288 229 P C 0.088 177.411 177.300 0.039 0.000 1.300 229 P CA 0.277 63.416 63.100 0.064 0.000 0.910 229 P CB 0.956 32.767 31.700 0.184 0.000 1.256 230 G N 0.347 109.184 108.800 0.063 0.000 2.539 230 G HA2 0.599 4.558 3.960 -0.001 0.000 0.258 230 G HA3 0.599 4.558 3.960 -0.001 0.000 0.258 230 G C -0.634 174.353 174.900 0.145 0.000 1.202 230 G CA -0.625 44.519 45.100 0.073 0.000 0.851 230 G HN 0.428 nan 8.290 nan 0.000 0.556 231 I N 0.310 120.968 120.570 0.146 0.000 2.571 231 I HA 0.361 4.531 4.170 -0.001 0.000 0.289 231 I C -0.554 175.659 176.117 0.159 0.000 1.115 231 I CA -0.465 60.953 61.300 0.196 0.000 1.045 231 I CB 2.365 40.497 38.000 0.220 0.000 1.238 231 I HN 0.374 nan 8.210 nan 0.000 0.424 232 S N 5.255 121.059 115.700 0.172 0.000 2.541 232 S HA 0.576 5.045 4.470 -0.001 0.000 0.271 232 S C -0.853 173.842 174.600 0.157 0.000 1.133 232 S CA -0.580 57.713 58.200 0.155 0.000 0.876 232 S CB 2.321 65.624 63.200 0.172 0.000 1.105 232 S HN 0.586 nan 8.310 nan 0.000 0.470 233 M N 3.962 123.648 119.600 0.144 0.000 2.084 233 M HA 0.366 4.846 4.480 -0.001 0.000 0.351 233 M C -0.569 175.812 176.300 0.134 0.000 1.240 233 M CA -0.568 54.819 55.300 0.145 0.000 1.083 233 M CB -0.113 32.577 32.600 0.151 0.000 1.593 233 M HN 0.666 nan 8.290 nan 0.000 0.463 234 D N 2.961 123.441 120.400 0.133 0.000 2.433 234 D HA 0.378 5.018 4.640 -0.001 0.000 0.255 234 D C 1.053 177.398 176.300 0.076 0.000 1.226 234 D CA -0.241 53.835 54.000 0.127 0.000 1.015 234 D CB 0.176 41.081 40.800 0.174 0.000 1.091 234 D HN 0.666 nan 8.370 nan 0.000 0.527 235 G N -0.954 107.880 108.800 0.056 0.000 2.534 235 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.217 235 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.217 235 G C 0.915 175.802 174.900 -0.021 0.000 1.128 235 G CA -0.014 45.099 45.100 0.021 0.000 0.784 235 G HN 0.423 nan 8.290 nan 0.000 0.542 236 N N 0.483 119.179 118.700 -0.007 0.000 2.383 236 N HA 0.177 4.917 4.740 -0.001 0.000 0.192 236 N C 1.568 177.058 175.510 -0.034 0.000 1.141 236 N CA 0.720 53.755 53.050 -0.025 0.000 0.851 236 N CB 0.254 38.737 38.487 -0.007 0.000 0.976 236 N HN 0.347 nan 8.380 nan 0.000 0.465 237 G N 0.150 108.927 108.800 -0.039 0.000 2.136 237 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.242 237 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.242 237 G C -0.166 174.816 174.900 0.136 0.000 0.989 237 G CA -0.191 44.907 45.100 -0.003 0.000 0.682 237 G HN 0.402 nan 8.290 nan 0.000 0.522 238 Q N -0.736 119.114 119.800 0.084 0.000 2.345 238 Q HA 0.682 5.021 4.340 -0.001 0.000 0.268 238 Q C 0.197 176.257 176.000 0.099 0.000 1.054 238 Q CA -0.917 54.923 55.803 0.060 0.000 0.835 238 Q CB 1.965 30.718 28.738 0.026 0.000 1.339 238 Q HN 0.378 nan 8.270 nan 0.000 0.447 239 I N 2.220 122.848 120.570 0.096 0.000 2.325 239 I HA 0.180 4.350 4.170 -0.001 0.000 0.291 239 I C -0.484 175.709 176.117 0.127 0.000 1.019 239 I CA -0.680 60.703 61.300 0.138 0.000 1.302 239 I CB 0.998 39.101 38.000 0.172 0.000 1.401 239 I HN 0.239 nan 8.210 nan 0.000 0.485 240 V N 7.923 127.916 119.914 0.132 0.000 2.348 240 V HA 0.206 4.326 4.120 -0.001 0.000 0.270 240 V C 0.182 176.383 176.094 0.178 0.000 1.037 240 V CA -0.507 61.855 62.300 0.102 0.000 0.872 240 V CB 1.326 33.149 31.823 0.001 0.000 1.002 240 V HN 0.399 nan 8.190 nan 0.000 0.464 241 V N 4.974 125.014 119.914 0.211 0.000 2.370 241 V HA 0.544 4.664 4.120 -0.001 0.000 0.283 241 V C 0.355 176.612 176.094 0.272 0.000 1.023 241 V CA -0.388 62.047 62.300 0.224 0.000 0.857 241 V CB 1.809 33.706 31.823 0.123 0.000 0.985 241 V HN 0.979 nan 8.190 nan 0.000 0.443 242 T N 1.455 116.150 114.554 0.234 0.000 2.829 242 T HA 0.802 5.152 4.350 -0.001 0.000 0.280 242 T C 0.520 175.325 174.700 0.175 0.000 0.999 242 T CA 0.132 62.344 62.100 0.188 0.000 0.983 242 T CB 1.613 70.492 68.868 0.019 0.000 0.968 242 T HN 1.599 nan 8.240 nan 0.000 0.446 243 G N 1.869 110.743 108.800 0.123 0.000 2.564 243 G HA2 0.246 4.205 3.960 -0.001 0.000 0.273 243 G HA3 0.246 4.205 3.960 -0.001 0.000 0.273 243 G C 0.621 175.670 174.900 0.248 0.000 1.242 243 G CA 0.666 45.808 45.100 0.070 0.000 0.951 243 G HN 2.580 nan 8.290 nan 0.000 0.564 244 G N -1.092 107.815 108.800 0.179 0.000 2.496 244 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.243 244 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.243 244 G C 0.864 175.959 174.900 0.324 0.000 1.176 244 G CA 0.882 46.135 45.100 0.254 0.000 0.940 244 G HN 1.781 nan 8.290 nan 0.000 0.573 245 N N 1.757 120.704 118.700 0.412 0.000 2.205 245 N HA 0.029 4.768 4.740 -0.001 0.000 0.186 245 N C 0.381 176.021 175.510 0.218 0.000 1.015 245 N CA 1.627 54.904 53.050 0.377 0.000 0.862 245 N CB -0.014 38.732 38.487 0.431 0.000 0.986 245 N HN 0.499 nan 8.380 nan 0.000 0.429 246 D N -0.312 120.213 120.400 0.208 0.000 2.485 246 D HA 0.246 4.886 4.640 -0.001 0.000 0.229 246 D C 0.331 176.622 176.300 -0.015 0.000 1.101 246 D CA -0.163 53.875 54.000 0.064 0.000 0.906 246 D CB 1.216 42.030 40.800 0.024 0.000 1.019 246 D HN 0.064 nan 8.370 nan 0.000 0.516 247 A N 2.457 125.277 122.820 0.000 0.000 2.125 247 A HA -0.164 4.155 4.320 -0.001 0.000 0.219 247 A C 1.847 179.373 177.584 -0.096 0.000 1.156 247 A CA 1.186 53.212 52.037 -0.019 0.000 0.671 247 A CB 0.080 19.073 19.000 -0.012 0.000 0.794 247 A HN 0.276 nan 8.150 nan 0.000 0.459 248 K N -0.501 119.823 120.400 -0.126 0.000 2.367 248 K HA 0.061 4.380 4.320 -0.001 0.000 0.194 248 K C -0.163 176.307 176.600 -0.216 0.000 1.027 248 K CA -0.005 56.188 56.287 -0.158 0.000 1.075 248 K CB 0.259 32.698 32.500 -0.102 0.000 0.845 248 K HN 0.239 nan 8.250 nan 0.000 0.529 249 K N 1.301 121.500 120.400 -0.335 0.000 2.202 249 K HA 0.155 4.474 4.320 -0.001 0.000 0.264 249 K C -0.080 176.327 176.600 -0.321 0.000 1.010 249 K CA 0.098 56.119 56.287 -0.443 0.000 0.940 249 K CB 1.256 33.248 32.500 -0.846 0.000 0.983 249 K HN -0.199 nan 8.250 nan 0.000 0.475 250 T N 0.910 115.424 114.554 -0.067 0.000 2.812 250 T HA 0.344 4.693 4.350 -0.001 0.000 0.282 250 T C -0.489 174.345 174.700 0.223 0.000 0.990 250 T CA -0.618 61.569 62.100 0.145 0.000 0.960 250 T CB 1.216 70.239 68.868 0.258 0.000 0.948 250 T HN 0.366 nan 8.240 nan 0.000 0.438 251 S N 2.605 118.515 115.700 0.349 0.000 2.532 251 S HA 0.711 5.181 4.470 -0.001 0.000 0.301 251 S C -0.754 174.045 174.600 0.332 0.000 1.083 251 S CA -0.850 57.562 58.200 0.352 0.000 1.025 251 S CB 0.920 64.312 63.200 0.320 0.000 1.056 251 S HN 0.486 nan 8.310 nan 0.000 0.494 252 L N 2.771 124.182 121.223 0.314 0.000 2.356 252 L HA 0.492 4.832 4.340 -0.001 0.000 0.277 252 L C -1.258 175.627 176.870 0.024 0.000 0.996 252 L CA -0.846 54.086 54.840 0.154 0.000 0.822 252 L CB 1.140 43.252 42.059 0.088 0.000 1.256 252 L HN 0.696 nan 8.230 nan 0.000 0.413 253 Y N 2.328 122.417 120.300 -0.351 0.000 2.328 253 Y HA 0.375 4.924 4.550 -0.001 0.000 0.337 253 Y C -0.666 174.974 175.900 -0.433 0.000 1.008 253 Y CA -0.619 56.962 58.100 -0.866 0.000 1.129 253 Y CB 1.512 39.087 38.460 -1.475 0.000 1.185 253 Y HN 0.574 nan 8.280 nan 0.000 0.476 254 D N 3.603 123.225 120.400 -1.297 0.000 2.414 254 D HA 0.171 4.810 4.640 -0.001 0.000 0.232 254 D C 0.535 176.198 176.300 -1.062 0.000 1.070 254 D CA -0.108 53.408 54.000 -0.807 0.000 0.839 254 D CB 1.656 42.194 40.800 -0.436 0.000 1.079 254 D HN 0.552 nan 8.370 nan 0.000 0.521 255 S N 2.372 117.691 115.700 -0.636 0.000 2.387 255 S HA -0.134 4.335 4.470 -0.001 0.000 0.226 255 S C 1.858 176.308 174.600 -0.250 0.000 1.026 255 S CA 1.363 59.354 58.200 -0.348 0.000 0.972 255 S CB -0.083 63.031 63.200 -0.144 0.000 0.814 255 S HN 0.453 nan 8.310 nan 0.000 0.477 256 S N 1.207 116.789 115.700 -0.196 0.000 2.374 256 S HA -0.108 4.362 4.470 -0.001 0.000 0.227 256 S C 1.963 176.490 174.600 -0.122 0.000 1.037 256 S CA 1.814 59.939 58.200 -0.124 0.000 1.024 256 S CB -0.385 62.774 63.200 -0.069 0.000 0.861 256 S HN 0.861 nan 8.310 nan 0.000 0.456 257 S N -0.055 115.546 115.700 -0.164 0.000 2.540 257 S HA 0.195 4.664 4.470 -0.001 0.000 0.218 257 S C 0.166 174.684 174.600 -0.137 0.000 0.977 257 S CA 0.402 58.529 58.200 -0.121 0.000 0.918 257 S CB 0.006 63.138 63.200 -0.113 0.000 0.806 257 S HN 0.359 nan 8.310 nan 0.000 0.496 258 D N 1.920 122.191 120.400 -0.216 0.000 2.735 258 D HA -0.160 4.480 4.640 -0.001 0.000 0.235 258 D C -0.164 176.053 176.300 -0.138 0.000 1.175 258 D CA 1.041 54.949 54.000 -0.153 0.000 0.683 258 D CB -1.404 39.407 40.800 0.019 0.000 1.008 258 D HN 0.719 nan 8.370 nan 0.000 0.416 259 S N -0.991 114.481 115.700 -0.380 0.000 2.607 259 S HA 0.749 5.218 4.470 -0.001 0.000 0.273 259 S C -0.783 173.639 174.600 -0.295 0.000 1.148 259 S CA -1.185 56.919 58.200 -0.161 0.000 0.833 259 S CB 0.908 64.083 63.200 -0.043 0.000 1.130 259 S HN 0.199 nan 8.310 nan 0.000 0.470 260 W N 0.689 122.003 121.300 0.023 0.000 2.433 260 W HA 0.727 5.387 4.660 -0.001 0.000 0.315 260 W C -0.490 176.036 176.519 0.013 0.000 1.087 260 W CA -0.599 56.769 57.345 0.037 0.000 1.205 260 W CB 1.133 30.630 29.460 0.062 0.000 1.288 260 W HN 0.521 nan 8.180 nan 0.000 0.504 261 I N 5.145 125.856 120.570 0.236 0.000 2.466 261 I HA 0.287 4.456 4.170 -0.001 0.000 0.289 261 I C -2.145 174.078 176.117 0.177 0.000 1.026 261 I CA -2.602 58.790 61.300 0.154 0.000 1.078 261 I CB 1.892 39.936 38.000 0.073 0.000 1.249 261 I HN 0.018 nan 8.210 nan 0.000 0.429 262 P HA 0.051 nan 4.420 nan 0.000 0.264 262 P C -0.025 177.357 177.300 0.136 0.000 1.183 262 P CA 0.120 63.301 63.100 0.136 0.000 0.763 262 P CB 0.540 32.301 31.700 0.101 0.000 0.807 263 G N 3.025 111.913 108.800 0.148 0.000 2.932 263 G HA2 0.670 4.629 3.960 -0.001 0.000 0.283 263 G HA3 0.670 4.629 3.960 -0.001 0.000 0.283 263 G C -2.800 172.209 174.900 0.181 0.000 1.336 263 G CA -1.586 43.611 45.100 0.162 0.000 1.056 263 G HN 0.305 nan 8.290 nan 0.000 0.522 264 P HA 0.261 nan 4.420 nan 0.000 0.284 264 P C -0.932 176.562 177.300 0.324 0.000 1.253 264 P CA -0.515 62.745 63.100 0.266 0.000 0.800 264 P CB 1.272 33.156 31.700 0.308 0.000 0.961 265 D N 1.789 122.299 120.400 0.184 0.000 2.478 265 D HA 0.043 4.682 4.640 -0.001 0.000 0.234 265 D C 0.950 177.285 176.300 0.058 0.000 1.154 265 D CA 0.614 54.660 54.000 0.078 0.000 0.874 265 D CB 0.213 41.025 40.800 0.021 0.000 1.198 265 D HN 0.292 nan 8.370 nan 0.000 0.455 266 M N 1.579 121.003 119.600 -0.293 0.000 2.207 266 M HA -0.050 4.430 4.480 -0.001 0.000 0.311 266 M C 1.560 177.728 176.300 -0.220 0.000 1.127 266 M CA -0.229 54.666 55.300 -0.676 0.000 1.181 266 M CB 0.572 32.678 32.600 -0.823 0.000 1.409 266 M HN 0.247 nan 8.290 nan 0.000 0.461 267 Q N 0.540 120.257 119.800 -0.139 0.000 2.083 267 Q HA 0.050 4.389 4.340 -0.001 0.000 0.198 267 Q C -0.032 175.940 176.000 -0.047 0.000 0.969 267 Q CA 1.029 56.819 55.803 -0.022 0.000 0.838 267 Q CB -0.093 28.672 28.738 0.046 0.000 0.900 267 Q HN 0.516 nan 8.270 nan 0.000 0.436 268 V N 0.890 120.739 119.914 -0.109 0.000 2.513 268 V HA 0.530 4.650 4.120 -0.001 0.000 0.299 268 V C -0.326 175.709 176.094 -0.099 0.000 1.035 268 V CA -1.065 61.209 62.300 -0.043 0.000 0.889 268 V CB 1.513 33.318 31.823 -0.030 0.000 0.988 268 V HN 0.156 nan 8.190 nan 0.000 0.440 269 A N 6.017 128.831 122.820 -0.010 0.000 2.454 269 A HA 0.696 5.015 4.320 -0.001 0.000 0.260 269 A C 0.240 177.761 177.584 -0.104 0.000 1.106 269 A CA -0.052 51.955 52.037 -0.049 0.000 0.780 269 A CB 0.093 19.103 19.000 0.016 0.000 1.044 269 A HN 0.885 nan 8.150 nan 0.000 0.498 270 R N 1.005 121.431 120.500 -0.123 0.000 2.740 270 R HA 0.699 5.038 4.340 -0.001 0.000 0.273 270 R C -0.334 175.938 176.300 -0.046 0.000 0.998 270 R CA -0.507 55.512 56.100 -0.135 0.000 0.900 270 R CB 2.678 32.867 30.300 -0.184 0.000 1.223 270 R HN 0.922 nan 8.270 nan 0.000 0.466 271 G N 0.342 109.134 108.800 -0.015 0.000 2.719 271 G HA2 0.460 4.419 3.960 -0.001 0.000 0.298 271 G HA3 0.460 4.419 3.960 -0.001 0.000 0.298 271 G C -1.048 173.899 174.900 0.079 0.000 1.411 271 G CA -0.338 44.823 45.100 0.100 0.000 0.991 271 G HN 0.573 nan 8.290 nan 0.000 0.509 272 Y N -0.826 119.351 120.300 -0.206 0.000 4.798 272 Y HA -0.226 4.324 4.550 -0.001 0.000 0.237 272 Y C 1.607 177.332 175.900 -0.292 0.000 1.017 272 Y CA 0.420 58.312 58.100 -0.346 0.000 2.010 272 Y CB -2.038 36.131 38.460 -0.485 0.000 1.582 272 Y HN 0.859 nan 8.280 nan 0.000 0.621 273 Q N 0.753 120.527 119.800 -0.044 0.000 2.454 273 Q HA 0.393 4.733 4.340 -0.001 0.000 0.247 273 Q C 0.073 176.056 176.000 -0.029 0.000 1.028 273 Q CA 0.276 56.030 55.803 -0.082 0.000 0.910 273 Q CB 1.406 30.069 28.738 -0.126 0.000 1.276 273 Q HN 0.318 nan 8.270 nan 0.000 0.489 274 S N 1.232 116.916 115.700 -0.027 0.000 2.578 274 S HA 0.469 4.938 4.470 -0.001 0.000 0.283 274 S C -0.469 174.130 174.600 -0.002 0.000 1.195 274 S CA -0.465 57.739 58.200 0.008 0.000 1.050 274 S CB 1.150 64.363 63.200 0.022 0.000 1.012 274 S HN 0.743 nan 8.310 nan 0.000 0.511 275 S N 1.052 116.780 115.700 0.048 0.000 2.600 275 S HA 0.906 5.375 4.470 -0.001 0.000 0.300 275 S C -0.841 173.844 174.600 0.142 0.000 1.087 275 S CA -0.934 57.329 58.200 0.106 0.000 0.965 275 S CB 1.796 65.093 63.200 0.162 0.000 1.089 275 S HN 0.920 nan 8.310 nan 0.000 0.496 276 A N 1.547 124.502 122.820 0.225 0.000 2.408 276 A HA 0.702 5.022 4.320 -0.001 0.000 0.295 276 A C -0.070 177.661 177.584 0.245 0.000 1.040 276 A CA -0.751 51.409 52.037 0.205 0.000 0.707 276 A CB 1.078 20.199 19.000 0.202 0.000 1.235 276 A HN 0.786 nan 8.150 nan 0.000 0.418 277 T N 3.306 117.981 114.554 0.202 0.000 2.930 277 T HA 0.398 4.747 4.350 -0.001 0.000 0.306 277 T C 0.506 175.331 174.700 0.209 0.000 1.045 277 T CA 0.638 62.858 62.100 0.199 0.000 1.134 277 T CB 0.091 69.061 68.868 0.169 0.000 0.961 277 T HN 0.590 nan 8.240 nan 0.000 0.545 278 M N 1.355 121.069 119.600 0.190 0.000 2.613 278 M HA 0.268 4.747 4.480 -0.001 0.000 0.301 278 M C 1.874 178.262 176.300 0.146 0.000 1.205 278 M CA -0.698 54.706 55.300 0.174 0.000 0.950 278 M CB 1.284 33.976 32.600 0.154 0.000 1.585 278 M HN 0.723 nan 8.290 nan 0.000 0.490 279 S N -0.531 115.244 115.700 0.124 0.000 2.442 279 S HA -0.152 4.318 4.470 -0.001 0.000 0.236 279 S C 0.834 175.472 174.600 0.064 0.000 1.007 279 S CA 1.549 59.801 58.200 0.087 0.000 0.965 279 S CB -0.664 62.560 63.200 0.041 0.000 0.773 279 S HN 0.826 nan 8.310 nan 0.000 0.504 280 D N -0.280 120.158 120.400 0.062 0.000 2.340 280 D HA 0.332 4.971 4.640 -0.001 0.000 0.217 280 D C 1.369 177.691 176.300 0.037 0.000 1.081 280 D CA 0.410 54.433 54.000 0.038 0.000 0.842 280 D CB -0.435 40.381 40.800 0.028 0.000 0.934 280 D HN 0.516 nan 8.370 nan 0.000 0.511 281 G N 0.239 109.077 108.800 0.064 0.000 2.199 281 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.254 281 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.254 281 G C 0.547 175.479 174.900 0.054 0.000 0.982 281 G CA 0.039 45.174 45.100 0.059 0.000 0.632 281 G HN 0.450 nan 8.290 nan 0.000 0.529 282 R N -0.596 119.932 120.500 0.047 0.000 2.652 282 R HA 0.574 4.913 4.340 -0.001 0.000 0.271 282 R C -0.154 176.227 176.300 0.135 0.000 1.129 282 R CA 0.009 56.130 56.100 0.035 0.000 1.200 282 R CB 0.830 31.137 30.300 0.012 0.000 1.146 282 R HN 0.130 nan 8.270 nan 0.000 0.581 283 V N 1.728 121.744 119.914 0.171 0.000 2.588 283 V HA 0.291 4.411 4.120 -0.001 0.000 0.304 283 V C -0.976 175.346 176.094 0.380 0.000 1.042 283 V CA -0.686 61.774 62.300 0.267 0.000 0.877 283 V CB 1.513 33.495 31.823 0.265 0.000 0.996 283 V HN 0.489 nan 8.190 nan 0.000 0.425 284 F N 3.568 123.658 119.950 0.233 0.000 2.421 284 F HA 0.779 5.305 4.527 -0.001 0.000 0.337 284 F C 0.147 176.073 175.800 0.210 0.000 1.105 284 F CA 0.189 58.330 58.000 0.234 0.000 1.049 284 F CB 1.924 41.017 39.000 0.154 0.000 1.139 284 F HN 0.533 nan 8.300 nan 0.000 0.479 285 T N 6.809 121.084 114.554 -0.465 0.000 2.896 285 T HA 0.709 5.058 4.350 -0.001 0.000 0.297 285 T C -1.712 172.465 174.700 -0.871 0.000 1.108 285 T CA -0.572 61.238 62.100 -0.482 0.000 1.004 285 T CB 1.162 69.908 68.868 -0.204 0.000 1.159 285 T HN 0.731 nan 8.240 nan 0.000 0.499 286 I N 1.339 121.564 120.570 -0.574 0.000 2.908 286 I HA 0.597 4.767 4.170 -0.001 0.000 0.300 286 I C 0.225 176.169 176.117 -0.287 0.000 1.385 286 I CA 0.506 61.519 61.300 -0.478 0.000 1.004 286 I CB 1.614 39.277 38.000 -0.562 0.000 1.309 286 I HN 1.102 nan 8.210 nan 0.000 0.449 287 G N 3.567 112.224 108.800 -0.239 0.000 2.593 287 G HA2 0.292 4.252 3.960 -0.001 0.000 0.237 287 G HA3 0.292 4.252 3.960 -0.001 0.000 0.237 287 G C 0.449 175.222 174.900 -0.212 0.000 1.312 287 G CA -0.124 44.857 45.100 -0.198 0.000 0.896 287 G HN 2.343 nan 8.290 nan 0.000 0.574 288 G N -3.038 105.652 108.800 -0.182 0.000 2.842 288 G HA2 0.214 4.173 3.960 -0.001 0.000 0.242 288 G HA3 0.214 4.173 3.960 -0.001 0.000 0.242 288 G C 0.478 175.270 174.900 -0.179 0.000 1.135 288 G CA 0.739 45.743 45.100 -0.159 0.000 1.048 288 G HN 1.868 nan 8.290 nan 0.000 0.530 289 S N -0.265 115.333 115.700 -0.170 0.000 2.660 289 S HA 0.205 4.674 4.470 -0.001 0.000 0.227 289 S C 1.512 176.079 174.600 -0.054 0.000 0.948 289 S CA 0.384 58.499 58.200 -0.141 0.000 0.948 289 S CB -0.112 63.035 63.200 -0.089 0.000 0.779 289 S HN 0.730 nan 8.310 nan 0.000 0.487 290 F N 3.336 123.103 119.950 -0.305 0.000 2.186 290 F HA 0.025 4.552 4.527 -0.001 0.000 0.299 290 F C 0.962 176.678 175.800 -0.140 0.000 1.090 290 F CA 0.817 58.555 58.000 -0.437 0.000 1.307 290 F CB -0.004 38.296 39.000 -1.167 0.000 1.019 290 F HN 0.206 nan 8.300 nan 0.000 0.489 291 S N -1.777 113.816 115.700 -0.178 0.000 2.667 291 S HA 0.622 5.091 4.470 -0.001 0.000 0.292 291 S C 0.505 175.056 174.600 -0.082 0.000 1.126 291 S CA -0.401 57.693 58.200 -0.177 0.000 0.881 291 S CB 1.222 64.390 63.200 -0.054 0.000 1.132 291 S HN 0.943 nan 8.310 nan 0.000 0.492 292 G N -0.540 108.231 108.800 -0.047 0.000 2.179 292 G HA2 0.342 4.302 3.960 -0.001 0.000 0.260 292 G HA3 0.342 4.302 3.960 -0.001 0.000 0.260 292 G C 1.143 176.111 174.900 0.114 0.000 0.977 292 G CA 0.316 45.425 45.100 0.016 0.000 0.641 292 G HN 2.638 nan 8.290 nan 0.000 0.533 293 G N -2.620 106.211 108.800 0.053 0.000 2.515 293 G HA2 0.349 4.308 3.960 -0.001 0.000 0.686 293 G HA3 0.349 4.308 3.960 -0.001 0.000 0.686 293 G C -0.628 174.314 174.900 0.069 0.000 1.274 293 G CA -0.036 45.156 45.100 0.154 0.000 0.874 293 G HN 1.466 nan 8.290 nan 0.000 0.631 294 V N 1.917 121.907 119.914 0.127 0.000 2.333 294 V HA 0.841 4.960 4.120 -0.001 0.000 0.274 294 V C 0.257 176.478 176.094 0.211 0.000 1.028 294 V CA 0.696 63.025 62.300 0.049 0.000 0.851 294 V CB -0.255 31.589 31.823 0.035 0.000 1.000 294 V HN 1.565 nan 8.190 nan 0.000 0.456 295 F N 1.332 121.273 119.950 -0.014 0.000 2.900 295 F HA 0.513 5.040 4.527 -0.001 0.000 0.321 295 F C -0.640 175.152 175.800 -0.013 0.000 1.160 295 F CA -1.366 56.625 58.000 -0.015 0.000 0.890 295 F CB 1.071 40.058 39.000 -0.022 0.000 1.334 295 F HN 0.263 nan 8.300 nan 0.000 0.459 296 E N 1.757 122.071 120.200 0.190 0.000 2.328 296 E HA 0.187 4.536 4.350 -0.001 0.000 0.265 296 E C -1.080 175.538 176.600 0.030 0.000 1.057 296 E CA -0.129 56.310 56.400 0.065 0.000 0.916 296 E CB 0.661 30.424 29.700 0.105 0.000 0.993 296 E HN 0.393 nan 8.360 nan 0.000 0.446 297 K N 3.734 124.049 120.400 -0.141 0.000 2.473 297 K HA 0.254 4.573 4.320 -0.001 0.000 0.246 297 K C -0.595 175.940 176.600 -0.107 0.000 1.011 297 K CA -0.369 55.819 56.287 -0.164 0.000 0.984 297 K CB 0.893 33.187 32.500 -0.343 0.000 1.250 297 K HN 0.384 nan 8.250 nan 0.000 0.454 298 N N 0.217 118.899 118.700 -0.030 0.000 2.366 298 N HA 0.208 4.948 4.740 -0.001 0.000 0.277 298 N C 0.503 175.963 175.510 -0.084 0.000 1.275 298 N CA -0.490 52.555 53.050 -0.007 0.000 0.964 298 N CB 0.399 38.932 38.487 0.077 0.000 1.167 298 N HN 0.483 nan 8.380 nan 0.000 0.568 299 G N -0.969 107.795 108.800 -0.060 0.000 2.569 299 G HA2 0.353 4.312 3.960 -0.001 0.000 0.249 299 G HA3 0.353 4.312 3.960 -0.001 0.000 0.249 299 G C -0.628 174.198 174.900 -0.122 0.000 1.216 299 G CA -0.174 44.767 45.100 -0.265 0.000 0.845 299 G HN 0.698 nan 8.290 nan 0.000 0.568 300 E N -1.846 118.230 120.200 -0.205 0.000 2.456 300 E HA 0.648 4.998 4.350 -0.001 0.000 0.276 300 E C -1.842 174.939 176.600 0.301 0.000 0.981 300 E CA -1.063 55.400 56.400 0.106 0.000 0.814 300 E CB 2.320 32.089 29.700 0.116 0.000 1.382 300 E HN 0.590 nan 8.360 nan 0.000 0.459 301 V N 1.269 121.476 119.914 0.488 0.000 2.760 301 V HA 0.457 4.576 4.120 -0.001 0.000 0.309 301 V C -2.018 174.195 176.094 0.198 0.000 1.077 301 V CA -0.614 61.939 62.300 0.422 0.000 0.910 301 V CB 1.682 33.699 31.823 0.324 0.000 1.008 301 V HN 0.732 nan 8.190 nan 0.000 0.424 302 Y N 4.897 124.923 120.300 -0.456 0.000 2.341 302 Y HA 0.703 5.252 4.550 -0.001 0.000 0.337 302 Y C 0.141 175.759 175.900 -0.470 0.000 1.014 302 Y CA -0.202 57.256 58.100 -1.070 0.000 1.111 302 Y CB 1.953 39.276 38.460 -1.895 0.000 1.194 302 Y HN 0.676 nan 8.280 nan 0.000 0.462 303 S N 8.264 123.376 115.700 -0.981 0.000 2.448 303 S HA 0.384 4.854 4.470 -0.001 0.000 0.320 303 S C -2.045 171.911 174.600 -1.073 0.000 1.071 303 S CA -1.772 55.964 58.200 -0.774 0.000 1.113 303 S CB 0.954 63.928 63.200 -0.377 0.000 0.972 303 S HN 0.643 nan 8.310 nan 0.000 0.465 304 P HA -0.088 nan 4.420 nan 0.000 0.220 304 P C 1.480 178.617 177.300 -0.273 0.000 1.148 304 P CA 0.953 63.764 63.100 -0.481 0.000 0.803 304 P CB 0.026 31.631 31.700 -0.158 0.000 0.782 305 S N -0.931 114.629 115.700 -0.233 0.000 2.425 305 S HA -0.047 4.423 4.470 -0.001 0.000 0.225 305 S C 1.886 176.409 174.600 -0.127 0.000 1.024 305 S CA 1.157 59.275 58.200 -0.137 0.000 0.951 305 S CB -1.222 61.917 63.200 -0.101 0.000 0.796 305 S HN 0.220 nan 8.310 nan 0.000 0.498 306 S N 0.132 115.732 115.700 -0.167 0.000 2.540 306 S HA 0.365 4.834 4.470 -0.001 0.000 0.218 306 S C 0.273 174.801 174.600 -0.121 0.000 0.977 306 S CA -0.256 57.875 58.200 -0.116 0.000 0.918 306 S CB -0.489 62.656 63.200 -0.093 0.000 0.806 306 S HN 0.392 nan 8.310 nan 0.000 0.496 307 K N 1.679 121.955 120.400 -0.207 0.000 3.150 307 K HA -0.128 4.192 4.320 -0.001 0.000 0.267 307 K C -0.263 176.311 176.600 -0.043 0.000 1.028 307 K CA 1.116 57.339 56.287 -0.107 0.000 0.753 307 K CB -2.426 30.085 32.500 0.018 0.000 1.288 307 K HN 0.808 nan 8.250 nan 0.000 0.473 308 T N -3.647 110.815 114.554 -0.153 0.000 2.906 308 T HA 0.678 5.027 4.350 -0.001 0.000 0.295 308 T C -0.599 174.081 174.700 -0.034 0.000 1.061 308 T CA -1.009 61.092 62.100 0.002 0.000 1.000 308 T CB 1.131 70.002 68.868 0.006 0.000 1.103 308 T HN 0.282 nan 8.240 nan 0.000 0.486 309 W N 0.932 122.335 121.300 0.171 0.000 2.496 309 W HA 0.588 5.247 4.660 -0.001 0.000 0.327 309 W C -0.058 176.520 176.519 0.098 0.000 1.086 309 W CA -0.313 57.130 57.345 0.164 0.000 1.222 309 W CB 1.992 31.535 29.460 0.140 0.000 1.304 309 W HN 0.664 nan 8.180 nan 0.000 0.547 310 T N 1.889 116.650 114.554 0.345 0.000 2.848 310 T HA 0.233 4.583 4.350 -0.001 0.000 0.285 310 T C -0.368 174.472 174.700 0.233 0.000 0.995 310 T CA -0.733 61.505 62.100 0.230 0.000 0.970 310 T CB 1.607 70.570 68.868 0.158 0.000 0.976 310 T HN 0.297 nan 8.240 nan 0.000 0.441 311 S N 2.362 118.166 115.700 0.175 0.000 2.562 311 S HA 0.340 4.809 4.470 -0.001 0.000 0.281 311 S C -0.099 174.593 174.600 0.153 0.000 1.333 311 S CA -0.489 57.797 58.200 0.143 0.000 1.052 311 S CB -0.201 63.063 63.200 0.107 0.000 0.884 311 S HN 0.545 nan 8.310 nan 0.000 0.506 312 L N 7.301 128.621 121.223 0.162 0.000 2.581 312 L HA 0.333 4.673 4.340 -0.001 0.000 0.241 312 L C -1.703 175.273 176.870 0.178 0.000 1.265 312 L CA -1.598 53.361 54.840 0.198 0.000 0.954 312 L CB 1.331 43.569 42.059 0.299 0.000 1.269 312 L HN 0.525 nan 8.230 nan 0.000 0.475 313 P HA -0.079 nan 4.420 nan 0.000 0.222 313 P C 0.676 178.063 177.300 0.144 0.000 1.147 313 P CA 1.071 64.246 63.100 0.124 0.000 0.790 313 P CB 0.274 32.034 31.700 0.100 0.000 0.780 314 N N -0.113 118.684 118.700 0.161 0.000 2.412 314 N HA 0.046 4.785 4.740 -0.001 0.000 0.184 314 N C 0.695 176.353 175.510 0.246 0.000 1.101 314 N CA 0.179 53.332 53.050 0.171 0.000 0.881 314 N CB -0.220 38.351 38.487 0.140 0.000 0.969 314 N HN 0.050 nan 8.380 nan 0.000 0.459 315 A N 1.752 124.765 122.820 0.322 0.000 2.805 315 A HA 0.116 4.435 4.320 -0.001 0.000 0.301 315 A C 0.272 178.123 177.584 0.445 0.000 1.557 315 A CA -0.218 52.124 52.037 0.508 0.000 1.254 315 A CB -0.119 19.260 19.000 0.632 0.000 1.114 315 A HN -0.128 nan 8.150 nan 0.000 0.553 316 K N 1.525 122.177 120.400 0.420 0.000 2.249 316 K HA 0.132 4.452 4.320 -0.001 0.000 0.280 316 K C 1.002 177.795 176.600 0.322 0.000 1.033 316 K CA -0.272 56.184 56.287 0.282 0.000 0.946 316 K CB 1.931 34.548 32.500 0.196 0.000 1.005 316 K HN 0.316 nan 8.250 nan 0.000 0.469 317 V N 3.524 123.542 119.914 0.173 0.000 2.788 317 V HA -0.158 3.961 4.120 -0.001 0.000 0.251 317 V C 2.000 178.160 176.094 0.109 0.000 1.068 317 V CA 1.272 63.644 62.300 0.119 0.000 1.090 317 V CB -0.362 31.463 31.823 0.004 0.000 0.710 317 V HN 0.750 nan 8.190 nan 0.000 0.467 318 N N 1.022 119.778 118.700 0.093 0.000 2.037 318 N HA -0.155 4.585 4.740 -0.001 0.000 0.196 318 N C -0.550 174.990 175.510 0.050 0.000 1.034 318 N CA 2.324 55.410 53.050 0.059 0.000 0.861 318 N CB -1.037 37.484 38.487 0.056 0.000 1.039 318 N HN 0.398 nan 8.380 nan 0.000 0.427 319 P HA -0.100 nan 4.420 nan 0.000 0.223 319 P C 1.220 178.523 177.300 0.005 0.000 1.144 319 P CA 1.187 64.302 63.100 0.025 0.000 0.783 319 P CB -0.190 31.514 31.700 0.005 0.000 0.771 320 M N -3.768 115.860 119.600 0.046 0.000 2.371 320 M HA 0.194 4.673 4.480 -0.001 0.000 0.246 320 M C 0.100 176.367 176.300 -0.055 0.000 1.103 320 M CA 0.238 55.532 55.300 -0.009 0.000 1.010 320 M CB -0.383 32.253 32.600 0.059 0.000 1.457 320 M HN -0.282 nan 8.290 nan 0.000 0.486 321 L N 2.696 123.899 121.223 -0.033 0.000 2.485 321 L HA 0.192 4.532 4.340 -0.001 0.000 0.275 321 L C 1.081 177.913 176.870 -0.064 0.000 1.207 321 L CA -0.203 54.610 54.840 -0.045 0.000 0.855 321 L CB 0.429 42.475 42.059 -0.022 0.000 1.114 321 L HN 0.407 nan 8.230 nan 0.000 0.485 322 T N -0.650 113.863 114.554 -0.068 0.000 2.814 322 T HA 0.467 4.817 4.350 -0.001 0.000 0.284 322 T C 0.550 175.230 174.700 -0.033 0.000 0.998 322 T CA -0.269 61.791 62.100 -0.067 0.000 0.935 322 T CB 1.327 70.154 68.868 -0.068 0.000 1.167 322 T HN 0.642 nan 8.240 nan 0.000 0.545 323 A N 0.249 123.054 122.820 -0.025 0.000 2.684 323 A HA 0.249 4.568 4.320 -0.001 0.000 0.288 323 A C 0.599 178.186 177.584 0.005 0.000 1.337 323 A CA -0.510 51.522 52.037 -0.009 0.000 0.946 323 A CB -0.975 18.018 19.000 -0.011 0.000 1.093 323 A HN 0.909 nan 8.150 nan 0.000 0.543 324 D N 0.994 121.401 120.400 0.013 0.000 2.571 324 D HA -0.108 4.531 4.640 -0.001 0.000 0.231 324 D C 1.272 177.595 176.300 0.038 0.000 1.133 324 D CA 0.572 54.593 54.000 0.035 0.000 0.862 324 D CB 0.734 41.569 40.800 0.058 0.000 1.179 324 D HN 0.515 nan 8.370 nan 0.000 0.474 325 K N 2.980 123.405 120.400 0.041 0.000 2.160 325 K HA -0.234 4.086 4.320 -0.001 0.000 0.206 325 K C 1.478 178.108 176.600 0.050 0.000 1.047 325 K CA 1.478 57.789 56.287 0.039 0.000 0.930 325 K CB 0.080 32.604 32.500 0.039 0.000 0.720 325 K HN 0.482 nan 8.250 nan 0.000 0.450 326 Q N 0.051 119.892 119.800 0.069 0.000 2.403 326 Q HA 0.132 4.471 4.340 -0.001 0.000 0.203 326 Q C 0.518 176.577 176.000 0.099 0.000 0.932 326 Q CA 0.137 55.998 55.803 0.097 0.000 0.945 326 Q CB 0.544 29.365 28.738 0.138 0.000 1.045 326 Q HN 0.569 nan 8.270 nan 0.000 0.511 327 G N 0.846 109.686 108.800 0.066 0.000 2.645 327 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.239 327 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.239 327 G C 0.154 175.092 174.900 0.064 0.000 1.331 327 G CA -0.185 44.950 45.100 0.058 0.000 0.890 327 G HN 0.234 nan 8.290 nan 0.000 0.572 328 L N -0.518 120.739 121.223 0.056 0.000 2.191 328 L HA 0.034 4.374 4.340 -0.001 0.000 0.212 328 L C 2.473 179.375 176.870 0.054 0.000 1.103 328 L CA 2.784 57.644 54.840 0.034 0.000 0.769 328 L CB -0.990 41.084 42.059 0.024 0.000 0.908 328 L HN 0.770 nan 8.230 nan 0.000 0.438 329 Y N 0.215 120.482 120.300 -0.055 0.000 2.193 329 Y HA -0.280 4.270 4.550 -0.001 0.000 0.285 329 Y C 2.132 177.995 175.900 -0.063 0.000 1.166 329 Y CA 1.911 59.964 58.100 -0.078 0.000 1.181 329 Y CB 0.018 38.434 38.460 -0.074 0.000 0.976 329 Y HN 0.139 nan 8.280 nan 0.000 0.520 330 K N -0.907 119.422 120.400 -0.117 0.000 2.350 330 K HA 0.100 4.419 4.320 -0.001 0.000 0.196 330 K C 2.225 178.815 176.600 -0.017 0.000 1.084 330 K CA 0.933 57.140 56.287 -0.134 0.000 0.967 330 K CB -0.253 32.232 32.500 -0.024 0.000 0.950 330 K HN 0.380 nan 8.250 nan 0.000 0.512 331 S N 2.024 117.719 115.700 -0.009 0.000 2.474 331 S HA -0.126 4.343 4.470 -0.001 0.000 0.235 331 S C 1.044 175.618 174.600 -0.044 0.000 0.997 331 S CA 1.441 59.635 58.200 -0.011 0.000 0.949 331 S CB -0.282 62.914 63.200 -0.006 0.000 0.766 331 S HN 0.268 nan 8.310 nan 0.000 0.517 332 D N 0.285 120.646 120.400 -0.065 0.000 2.388 332 D HA 0.144 4.783 4.640 -0.001 0.000 0.221 332 D C -0.165 176.065 176.300 -0.116 0.000 1.133 332 D CA -0.530 53.416 54.000 -0.090 0.000 0.831 332 D CB -1.090 39.648 40.800 -0.104 0.000 0.962 332 D HN 0.459 nan 8.370 nan 0.000 0.502 333 N N 1.033 119.662 118.700 -0.118 0.000 2.503 333 N HA 0.027 4.766 4.740 -0.001 0.000 0.267 333 N C -0.362 175.051 175.510 -0.162 0.000 1.214 333 N CA -0.424 52.484 53.050 -0.237 0.000 0.959 333 N CB 0.274 38.590 38.487 -0.286 0.000 1.142 333 N HN 0.136 nan 8.380 nan 0.000 0.455 334 H N -1.753 117.333 119.070 0.026 0.000 2.713 334 H HA -0.177 4.379 4.556 -0.001 0.000 0.311 334 H C 0.043 175.396 175.328 0.043 0.000 1.175 334 H CA 0.283 56.344 56.048 0.020 0.000 1.143 334 H CB -2.083 27.700 29.762 0.035 0.000 1.434 334 H HN 0.674 nan 8.280 nan 0.000 0.418 335 A N -0.010 122.842 122.820 0.053 0.000 2.555 335 A HA 0.112 4.431 4.320 -0.001 0.000 0.233 335 A C 0.374 178.047 177.584 0.148 0.000 1.060 335 A CA 0.144 52.174 52.037 -0.012 0.000 0.759 335 A CB 0.220 19.190 19.000 -0.051 0.000 0.995 335 A HN 0.384 nan 8.150 nan 0.000 0.506 336 W N 2.932 124.173 121.300 -0.098 0.000 2.085 336 W HA 0.446 5.106 4.660 -0.000 0.000 0.392 336 W C -0.555 175.847 176.519 -0.194 0.000 0.862 336 W CA -0.690 56.569 57.345 -0.144 0.000 1.542 336 W CB -0.778 28.677 29.460 -0.008 0.000 1.672 336 W HN 0.332 nan 8.180 nan 0.000 0.309 337 L N 3.047 124.191 121.223 -0.132 0.000 2.307 337 L HA 0.577 4.916 4.340 -0.001 0.000 0.282 337 L C -0.643 175.980 176.870 -0.413 0.000 1.051 337 L CA -0.671 54.111 54.840 -0.096 0.000 0.804 337 L CB 0.808 42.881 42.059 0.024 0.000 1.197 337 L HN -0.052 nan 8.230 nan 0.000 0.431 338 F N 0.250 120.321 119.950 0.203 0.000 2.562 338 F HA 0.446 4.972 4.527 -0.001 0.000 0.319 338 F C 0.788 176.762 175.800 0.290 0.000 1.154 338 F CA -0.694 57.440 58.000 0.224 0.000 0.931 338 F CB 1.824 40.938 39.000 0.190 0.000 1.198 338 F HN 0.436 nan 8.300 nan 0.000 0.444 339 G N 2.535 111.593 108.800 0.428 0.000 2.441 339 G HA2 0.193 4.152 3.960 -0.001 0.000 0.243 339 G HA3 0.193 4.152 3.960 -0.001 0.000 0.243 339 G C -0.886 174.364 174.900 0.583 0.000 1.281 339 G CA -0.139 45.201 45.100 0.400 0.000 0.854 339 G HN 0.736 nan 8.290 nan 0.000 0.560 340 W N 1.056 122.503 121.300 0.245 0.000 3.689 340 W HA 0.432 5.091 4.660 -0.001 0.000 0.381 340 W C -0.395 176.226 176.519 0.169 0.000 1.098 340 W CA -0.819 56.672 57.345 0.243 0.000 1.068 340 W CB 1.021 30.711 29.460 0.383 0.000 1.581 340 W HN 0.355 nan 8.180 nan 0.000 0.618 341 K N 1.833 122.015 120.400 -0.363 0.000 2.355 341 K HA 0.038 4.357 4.320 -0.001 0.000 0.270 341 K C -0.139 176.416 176.600 -0.075 0.000 1.003 341 K CA 0.459 56.543 56.287 -0.339 0.000 0.957 341 K CB 0.260 32.474 32.500 -0.477 0.000 0.939 341 K HN 0.273 nan 8.250 nan 0.000 0.482 342 K N 0.864 121.229 120.400 -0.059 0.000 3.148 342 K HA -0.276 4.044 4.320 -0.001 0.000 0.267 342 K C 0.598 177.234 176.600 0.060 0.000 0.996 342 K CA 0.405 56.695 56.287 0.004 0.000 0.737 342 K CB -1.921 30.585 32.500 0.009 0.000 1.308 342 K HN 1.145 nan 8.250 nan 0.000 0.470 343 G N -0.632 108.209 108.800 0.067 0.000 2.189 343 G HA2 -0.411 3.549 3.960 -0.001 0.000 0.267 343 G HA3 -0.411 3.549 3.960 -0.001 0.000 0.267 343 G C 0.190 175.145 174.900 0.091 0.000 0.975 343 G CA 0.635 45.790 45.100 0.091 0.000 0.644 343 G HN 0.958 nan 8.290 nan 0.000 0.537 344 S N -0.988 114.780 115.700 0.113 0.000 2.603 344 S HA 0.709 5.178 4.470 -0.001 0.000 0.268 344 S C -0.092 174.617 174.600 0.182 0.000 1.317 344 S CA -0.113 58.136 58.200 0.083 0.000 1.012 344 S CB 2.587 65.848 63.200 0.101 0.000 0.926 344 S HN 1.061 nan 8.310 nan 0.000 0.539 345 V N 2.543 122.526 119.914 0.116 0.000 2.531 345 V HA 0.454 4.573 4.120 -0.001 0.000 0.301 345 V C -0.849 175.414 176.094 0.281 0.000 1.034 345 V CA -0.745 61.660 62.300 0.175 0.000 0.865 345 V CB 1.337 33.091 31.823 -0.116 0.000 0.995 345 V HN 0.892 nan 8.190 nan 0.000 0.424 346 F N 4.211 124.233 119.950 0.120 0.000 2.396 346 F HA 0.461 4.987 4.527 -0.001 0.000 0.343 346 F C 0.282 176.084 175.800 0.005 0.000 1.104 346 F CA 0.007 57.879 58.000 -0.213 0.000 1.161 346 F CB 1.189 39.882 39.000 -0.513 0.000 1.146 346 F HN 0.494 nan 8.300 nan 0.000 0.522 347 Q N 5.659 124.970 119.800 -0.814 0.000 2.394 347 Q HA 0.447 4.786 4.340 -0.001 0.000 0.259 347 Q C -0.467 174.989 176.000 -0.905 0.000 1.021 347 Q CA -0.222 55.278 55.803 -0.505 0.000 0.805 347 Q CB 1.623 30.291 28.738 -0.118 0.000 1.226 347 Q HN 0.952 nan 8.270 nan 0.000 0.476 348 A N 2.812 125.386 122.820 -0.409 0.000 2.195 348 A HA 0.504 4.823 4.320 -0.001 0.000 0.210 348 A C 0.757 178.254 177.584 -0.145 0.000 1.165 348 A CA 0.996 52.967 52.037 -0.109 0.000 0.806 348 A CB 0.317 19.667 19.000 0.583 0.000 0.847 348 A HN 0.829 nan 8.150 nan 0.000 0.482 349 G N -1.636 106.827 108.800 -0.562 0.000 2.360 349 G HA2 0.313 4.272 3.960 -0.001 0.000 0.276 349 G HA3 0.313 4.272 3.960 -0.001 0.000 0.276 349 G C -2.660 171.400 174.900 -1.400 0.000 1.256 349 G CA 0.215 44.575 45.100 -1.233 0.000 0.890 349 G HN -0.188 nan 8.290 nan 0.000 0.486 350 P HA 0.074 nan 4.420 nan 0.000 0.229 350 P C 1.205 178.054 177.300 -0.752 0.000 1.160 350 P CA 1.159 63.416 63.100 -1.405 0.000 0.777 350 P CB -0.129 31.253 31.700 -0.529 0.000 0.814 351 S N -0.754 114.628 115.700 -0.531 0.000 2.558 351 S HA 0.023 4.493 4.470 -0.001 0.000 0.288 351 S C 1.352 175.763 174.600 -0.315 0.000 1.318 351 S CA 0.063 58.073 58.200 -0.317 0.000 1.056 351 S CB -0.231 62.835 63.200 -0.223 0.000 0.853 351 S HN 0.023 nan 8.310 nan 0.000 0.505 352 T N 2.605 117.037 114.554 -0.204 0.000 2.620 352 T HA -0.151 4.198 4.350 -0.001 0.000 0.267 352 T C 1.076 175.681 174.700 -0.160 0.000 1.044 352 T CA 1.765 63.770 62.100 -0.159 0.000 1.161 352 T CB -0.883 67.930 68.868 -0.093 0.000 0.862 352 T HN 1.081 nan 8.240 nan 0.000 0.438 353 A N 2.109 124.842 122.820 -0.146 0.000 2.491 353 A HA 0.483 4.803 4.320 -0.001 0.000 0.261 353 A C 0.251 177.715 177.584 -0.201 0.000 1.101 353 A CA 0.030 51.986 52.037 -0.135 0.000 0.772 353 A CB -0.296 18.644 19.000 -0.100 0.000 1.043 353 A HN 0.454 nan 8.150 nan 0.000 0.501 354 M N 2.902 122.377 119.600 -0.209 0.000 2.409 354 M HA 0.372 4.851 4.480 -0.001 0.000 0.329 354 M C -0.222 175.864 176.300 -0.356 0.000 1.180 354 M CA -0.282 54.807 55.300 -0.351 0.000 1.053 354 M CB 1.217 33.637 32.600 -0.300 0.000 1.586 354 M HN 0.699 nan 8.290 nan 0.000 0.461 355 N N 0.819 119.183 118.700 -0.560 0.000 2.264 355 N HA 0.337 5.076 4.740 -0.001 0.000 0.288 355 N C -2.059 173.079 175.510 -0.620 0.000 1.094 355 N CA -0.499 52.272 53.050 -0.466 0.000 0.817 355 N CB 1.718 39.933 38.487 -0.454 0.000 1.604 355 N HN 0.582 nan 8.380 nan 0.000 0.473 356 W N 1.264 122.420 121.300 -0.240 0.000 2.287 356 W HA 0.335 4.995 4.660 -0.001 0.000 0.313 356 W C -0.175 175.995 176.519 -0.582 0.000 1.267 356 W CA -0.232 56.947 57.345 -0.275 0.000 1.201 356 W CB 0.369 29.700 29.460 -0.216 0.000 1.196 356 W HN 0.368 nan 8.180 nan 0.000 0.536 357 Y N 2.206 122.443 120.300 -0.105 0.000 2.409 357 Y HA 0.427 4.976 4.550 -0.001 0.000 0.339 357 Y C -0.519 175.133 175.900 -0.414 0.000 1.033 357 Y CA -1.177 56.804 58.100 -0.197 0.000 1.094 357 Y CB 1.104 39.391 38.460 -0.289 0.000 1.210 357 Y HN 0.264 nan 8.280 nan 0.000 0.456 358 Y N -0.403 119.998 120.300 0.170 0.000 2.485 358 Y HA 0.392 4.941 4.550 -0.001 0.000 0.345 358 Y C 0.709 176.667 175.900 0.095 0.000 0.998 358 Y CA -0.947 57.217 58.100 0.106 0.000 1.059 358 Y CB 2.253 40.773 38.460 0.100 0.000 1.234 358 Y HN 0.599 nan 8.280 nan 0.000 0.461 359 T N -3.488 111.208 114.554 0.235 0.000 3.091 359 T HA 0.177 4.526 4.350 -0.001 0.000 0.277 359 T C 0.166 174.979 174.700 0.188 0.000 0.996 359 T CA -0.269 61.956 62.100 0.208 0.000 0.897 359 T CB -0.386 68.579 68.868 0.162 0.000 1.109 359 T HN 0.475 nan 8.240 nan 0.000 0.534 360 S N 0.660 116.465 115.700 0.175 0.000 2.632 360 S HA 0.655 5.125 4.470 -0.001 0.000 0.267 360 S C 1.353 176.023 174.600 0.116 0.000 1.276 360 S CA -0.093 58.179 58.200 0.121 0.000 0.998 360 S CB 0.426 63.678 63.200 0.087 0.000 0.953 360 S HN 1.099 nan 8.310 nan 0.000 0.547 361 G N 1.533 110.386 108.800 0.088 0.000 2.627 361 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.312 361 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.312 361 G C 0.653 175.619 174.900 0.111 0.000 1.299 361 G CA 0.353 45.503 45.100 0.083 0.000 0.989 361 G HN 1.282 nan 8.290 nan 0.000 0.547 362 S N 1.938 117.703 115.700 0.108 0.000 2.710 362 S HA 0.484 4.953 4.470 -0.001 0.000 0.224 362 S C 0.973 175.675 174.600 0.170 0.000 0.948 362 S CA 1.459 59.736 58.200 0.128 0.000 0.949 362 S CB -0.622 62.640 63.200 0.104 0.000 0.778 362 S HN 2.343 nan 8.310 nan 0.000 0.498 363 G N 1.140 110.054 108.800 0.190 0.000 2.707 363 G HA2 0.048 4.007 3.960 -0.001 0.000 0.686 363 G HA3 0.048 4.007 3.960 -0.001 0.000 0.686 363 G C -1.378 173.670 174.900 0.248 0.000 1.315 363 G CA -0.589 44.668 45.100 0.261 0.000 0.832 363 G HN 0.311 nan 8.290 nan 0.000 0.573 364 D N -2.018 118.586 120.400 0.340 0.000 2.671 364 D HA 0.705 5.345 4.640 -0.001 0.000 0.273 364 D C -1.209 175.337 176.300 0.409 0.000 1.264 364 D CA 0.504 54.686 54.000 0.304 0.000 0.788 364 D CB 2.157 43.050 40.800 0.155 0.000 1.324 364 D HN 1.271 nan 8.370 nan 0.000 0.424 365 V N 0.985 121.049 119.914 0.249 0.000 2.932 365 V HA 0.681 4.800 4.120 -0.001 0.000 0.307 365 V C -1.770 174.375 176.094 0.085 0.000 1.147 365 V CA -0.465 61.843 62.300 0.013 0.000 0.951 365 V CB 1.983 33.700 31.823 -0.177 0.000 1.031 365 V HN 0.551 nan 8.190 nan 0.000 0.426 366 K N 3.456 123.913 120.400 0.096 0.000 2.535 366 K HA 0.465 4.784 4.320 -0.001 0.000 0.251 366 K C -0.656 176.029 176.600 0.141 0.000 0.942 366 K CA -0.337 56.062 56.287 0.188 0.000 0.798 366 K CB 2.070 34.801 32.500 0.385 0.000 1.267 366 K HN 0.837 nan 8.250 nan 0.000 0.434 367 S N 2.057 117.814 115.700 0.094 0.000 2.552 367 S HA 0.151 4.620 4.470 -0.001 0.000 0.289 367 S C 0.533 175.225 174.600 0.152 0.000 1.304 367 S CA 0.494 58.732 58.200 0.064 0.000 1.063 367 S CB 0.625 63.853 63.200 0.047 0.000 0.848 367 S HN 0.627 nan 8.310 nan 0.000 0.499 368 A N 3.831 126.697 122.820 0.076 0.000 2.564 368 A HA 0.661 4.980 4.320 -0.001 0.000 0.279 368 A C 0.993 178.645 177.584 0.114 0.000 1.232 368 A CA 0.294 52.434 52.037 0.172 0.000 0.950 368 A CB -0.819 18.217 19.000 0.060 0.000 1.138 368 A HN 2.043 nan 8.150 nan 0.000 0.526 369 G N -0.044 108.791 108.800 0.058 0.000 2.710 369 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.668 369 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.668 369 G C -0.655 174.243 174.900 -0.004 0.000 1.320 369 G CA -0.631 44.493 45.100 0.039 0.000 0.860 369 G HN 0.432 nan 8.290 nan 0.000 0.538 370 K N -0.056 120.339 120.400 -0.009 0.000 2.143 370 K HA 0.439 4.758 4.320 -0.001 0.000 0.272 370 K C 0.820 177.391 176.600 -0.049 0.000 1.001 370 K CA -0.747 55.516 56.287 -0.040 0.000 0.915 370 K CB 1.501 33.984 32.500 -0.028 0.000 1.047 370 K HN 0.638 nan 8.250 nan 0.000 0.458 371 R N 3.035 123.475 120.500 -0.100 0.000 2.449 371 R HA -0.028 4.311 4.340 -0.001 0.000 0.296 371 R C -0.452 175.733 176.300 -0.192 0.000 1.047 371 R CA 0.609 56.609 56.100 -0.166 0.000 1.018 371 R CB 0.350 30.518 30.300 -0.219 0.000 0.962 371 R HN 0.818 nan 8.270 nan 0.000 0.428 372 Q N 1.614 121.330 119.800 -0.139 0.000 2.907 372 Q HA 0.413 4.752 4.340 -0.001 0.000 0.310 372 Q C -1.834 174.307 176.000 0.236 0.000 0.861 372 Q CA -1.057 54.773 55.803 0.046 0.000 0.769 372 Q CB 1.333 30.100 28.738 0.048 0.000 1.465 372 Q HN 0.681 nan 8.270 nan 0.000 0.449 373 S N -1.401 114.461 115.700 0.269 0.000 2.727 373 S HA 0.304 4.773 4.470 -0.001 0.000 0.278 373 S C 0.295 174.965 174.600 0.116 0.000 1.186 373 S CA -0.323 58.018 58.200 0.236 0.000 0.836 373 S CB 0.382 63.792 63.200 0.350 0.000 1.186 373 S HN 0.933 nan 8.310 nan 0.000 0.499 374 N N 0.377 119.123 118.700 0.076 0.000 2.417 374 N HA -0.208 4.532 4.740 -0.001 0.000 0.187 374 N C 1.073 176.565 175.510 -0.030 0.000 1.027 374 N CA 0.701 53.763 53.050 0.019 0.000 0.891 374 N CB -0.438 38.055 38.487 0.010 0.000 0.956 374 N HN 0.520 nan 8.380 nan 0.000 0.442 375 R N 0.561 121.019 120.500 -0.070 0.000 2.310 375 R HA 0.231 4.570 4.340 -0.001 0.000 0.202 375 R C 0.806 177.070 176.300 -0.060 0.000 0.933 375 R CA 0.330 56.340 56.100 -0.150 0.000 1.054 375 R CB 0.404 30.454 30.300 -0.416 0.000 0.985 375 R HN 0.333 nan 8.270 nan 0.000 0.489 376 G N 0.007 108.816 108.800 0.014 0.000 2.371 376 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.663 376 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.663 376 G C -1.076 173.874 174.900 0.082 0.000 1.311 376 G CA -1.045 44.074 45.100 0.033 0.000 0.985 376 G HN -0.061 nan 8.290 nan 0.000 0.566 377 V N 1.208 121.156 119.914 0.057 0.000 2.530 377 V HA 0.559 4.678 4.120 -0.001 0.000 0.282 377 V C 1.322 177.454 176.094 0.064 0.000 1.048 377 V CA 0.331 62.658 62.300 0.045 0.000 0.997 377 V CB 1.013 32.845 31.823 0.016 0.000 0.987 377 V HN 1.898 nan 8.190 nan 0.000 0.477 378 A N 9.033 131.883 122.820 0.049 0.000 2.488 378 A HA 0.535 4.854 4.320 -0.001 0.000 0.249 378 A C -1.927 175.670 177.584 0.022 0.000 1.083 378 A CA -0.959 51.123 52.037 0.076 0.000 0.768 378 A CB -0.173 18.801 19.000 -0.044 0.000 1.017 378 A HN 0.666 nan 8.150 nan 0.000 0.496 379 P HA 0.152 nan 4.420 nan 0.000 0.275 379 P C -0.732 176.556 177.300 -0.021 0.000 1.266 379 P CA -0.545 62.559 63.100 0.007 0.000 0.793 379 P CB 0.416 32.128 31.700 0.020 0.000 1.074 380 D N -0.272 120.099 120.400 -0.048 0.000 2.506 380 D HA 0.186 4.825 4.640 -0.001 0.000 0.234 380 D C 0.283 176.557 176.300 -0.044 0.000 1.143 380 D CA 0.766 54.716 54.000 -0.084 0.000 0.871 380 D CB -0.006 40.749 40.800 -0.075 0.000 1.190 380 D HN 0.337 nan 8.370 nan 0.000 0.459 381 A N 2.679 125.467 122.820 -0.054 0.000 3.253 381 A HA 0.221 4.541 4.320 -0.001 0.000 0.290 381 A C 0.105 177.749 177.584 0.100 0.000 0.950 381 A CA -0.678 51.403 52.037 0.073 0.000 0.986 381 A CB 0.008 19.160 19.000 0.253 0.000 1.104 381 A HN 0.426 nan 8.150 nan 0.000 0.481 382 M N 0.534 120.132 119.600 -0.004 0.000 2.261 382 M HA 0.156 4.636 4.480 -0.001 0.000 0.350 382 M C 0.874 177.154 176.300 -0.034 0.000 1.343 382 M CA 0.980 56.272 55.300 -0.013 0.000 1.003 382 M CB -0.924 31.648 32.600 -0.047 0.000 1.848 382 M HN 0.897 nan 8.290 nan 0.000 0.456 383 C N 3.254 122.570 119.300 0.026 0.000 4.265 383 C HA -0.150 4.309 4.460 -0.001 0.000 0.287 383 C C 1.170 176.110 174.990 -0.084 0.000 1.451 383 C CA 0.379 59.364 59.018 -0.056 0.000 1.966 383 C CB -2.907 24.749 27.740 -0.140 0.000 1.302 383 C HN 1.218 nan 8.230 nan 0.000 0.794 384 G N 0.378 109.239 108.800 0.102 0.000 2.699 384 G HA2 0.361 4.320 3.960 -0.001 0.000 0.246 384 G HA3 0.361 4.320 3.960 -0.001 0.000 0.246 384 G C -0.175 174.374 174.900 -0.586 0.000 1.219 384 G CA -0.056 45.014 45.100 -0.050 0.000 0.866 384 G HN 0.717 nan 8.290 nan 0.000 0.572 385 N N -0.867 117.197 118.700 -1.061 0.000 2.404 385 N HA 0.599 5.338 4.740 -0.001 0.000 0.297 385 N C -0.619 173.974 175.510 -1.529 0.000 1.163 385 N CA -0.521 51.785 53.050 -1.240 0.000 0.864 385 N CB 1.972 39.722 38.487 -1.229 0.000 1.247 385 N HN 0.678 nan 8.380 nan 0.000 0.510 386 A N 1.118 123.342 122.820 -0.993 0.000 2.427 386 A HA 0.625 4.944 4.320 -0.001 0.000 0.298 386 A C -1.260 176.360 177.584 0.060 0.000 1.036 386 A CA -0.462 51.289 52.037 -0.476 0.000 0.701 386 A CB 1.289 20.170 19.000 -0.198 0.000 1.250 386 A HN 0.357 nan 8.150 nan 0.000 0.412 387 V N 3.071 123.098 119.914 0.188 0.000 2.623 387 V HA 0.404 4.524 4.120 -0.001 0.000 0.304 387 V C -0.186 176.007 176.094 0.165 0.000 1.054 387 V CA -0.279 62.191 62.300 0.282 0.000 0.882 387 V CB 1.951 33.965 31.823 0.319 0.000 1.002 387 V HN 0.991 nan 8.190 nan 0.000 0.424 388 M N 5.871 125.530 119.600 0.099 0.000 2.497 388 M HA 0.257 4.736 4.480 -0.001 0.000 0.336 388 M C 0.445 176.741 176.300 -0.006 0.000 1.378 388 M CA -0.308 54.902 55.300 -0.150 0.000 1.375 388 M CB 0.007 32.496 32.600 -0.184 0.000 1.337 388 M HN 0.858 nan 8.290 nan 0.000 0.461 389 Y N 0.666 120.987 120.300 0.034 0.000 2.523 389 Y HA 0.369 4.919 4.550 -0.000 0.000 0.279 389 Y C -0.087 175.859 175.900 0.076 0.000 1.139 389 Y CA -0.430 57.715 58.100 0.074 0.000 1.296 389 Y CB 0.206 38.717 38.460 0.086 0.000 1.045 389 Y HN 0.493 nan 8.280 nan 0.000 0.538 390 D N 0.597 120.839 120.400 -0.265 0.000 2.337 390 D HA 0.357 4.996 4.640 -0.001 0.000 0.238 390 D C 0.513 176.766 176.300 -0.078 0.000 1.331 390 D CA 0.007 53.948 54.000 -0.098 0.000 0.967 390 D CB 1.323 42.074 40.800 -0.081 0.000 1.382 390 D HN 0.185 nan 8.370 nan 0.000 0.549 391 A N 2.280 125.152 122.820 0.087 0.000 1.969 391 A HA -0.035 4.284 4.320 -0.001 0.000 0.218 391 A C 2.051 179.802 177.584 0.278 0.000 1.169 391 A CA 1.184 53.362 52.037 0.235 0.000 0.635 391 A CB -0.137 19.082 19.000 0.364 0.000 0.810 391 A HN 0.429 nan 8.150 nan 0.000 0.445 392 V N 0.343 120.353 119.914 0.160 0.000 2.490 392 V HA -0.179 3.941 4.120 -0.001 0.000 0.250 392 V C 1.789 177.964 176.094 0.135 0.000 1.061 392 V CA 2.007 64.383 62.300 0.127 0.000 1.064 392 V CB -0.469 31.396 31.823 0.070 0.000 0.670 392 V HN 0.495 nan 8.190 nan 0.000 0.461 393 K N -0.311 120.140 120.400 0.085 0.000 2.399 393 K HA 0.326 4.646 4.320 -0.001 0.000 0.204 393 K C 1.269 177.877 176.600 0.013 0.000 1.023 393 K CA 0.657 56.977 56.287 0.055 0.000 1.127 393 K CB 0.790 33.297 32.500 0.012 0.000 0.856 393 K HN 0.472 nan 8.250 nan 0.000 0.514 394 G N 2.689 111.510 108.800 0.036 0.000 2.198 394 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.260 394 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.260 394 G C -0.235 174.406 174.900 -0.432 0.000 1.025 394 G CA 0.141 45.093 45.100 -0.246 0.000 0.769 394 G HN 0.125 nan 8.290 nan 0.000 0.507 395 K N 0.144 120.288 120.400 -0.428 0.000 2.276 395 K HA 0.557 4.876 4.320 -0.001 0.000 0.285 395 K C 0.348 176.528 176.600 -0.700 0.000 1.062 395 K CA -0.265 55.671 56.287 -0.586 0.000 0.918 395 K CB 1.339 33.304 32.500 -0.892 0.000 1.055 395 K HN 0.354 nan 8.250 nan 0.000 0.477 396 I N 3.673 123.954 120.570 -0.481 0.000 2.433 396 I HA 0.214 4.383 4.170 -0.001 0.000 0.292 396 I C -0.588 175.506 176.117 -0.039 0.000 1.001 396 I CA -1.193 59.888 61.300 -0.365 0.000 1.119 396 I CB 1.655 39.349 38.000 -0.510 0.000 1.289 396 I HN 0.281 nan 8.210 nan 0.000 0.438 397 L N 7.280 128.604 121.223 0.170 0.000 2.282 397 L HA 0.631 4.971 4.340 -0.001 0.000 0.288 397 L C 0.060 177.036 176.870 0.177 0.000 1.033 397 L CA 0.332 55.295 54.840 0.205 0.000 0.807 397 L CB 1.427 43.613 42.059 0.213 0.000 1.209 397 L HN 0.723 nan 8.230 nan 0.000 0.423 398 T N 1.819 116.442 114.554 0.115 0.000 2.908 398 T HA 0.871 5.220 4.350 -0.001 0.000 0.290 398 T C -0.715 173.993 174.700 0.013 0.000 1.034 398 T CA -0.558 61.441 62.100 -0.169 0.000 1.010 398 T CB 1.431 70.241 68.868 -0.096 0.000 1.068 398 T HN 0.594 nan 8.240 nan 0.000 0.481 399 F N -1.458 118.402 119.950 -0.150 0.000 2.690 399 F HA 0.717 5.244 4.527 -0.000 0.000 0.311 399 F C 0.265 176.079 175.800 0.022 0.000 1.111 399 F CA -0.291 57.662 58.000 -0.079 0.000 1.003 399 F CB 0.664 39.606 39.000 -0.096 0.000 1.283 399 F HN 1.259 nan 8.300 nan 0.000 0.442 400 G N 0.719 109.576 108.800 0.094 0.000 2.593 400 G HA2 0.478 4.438 3.960 -0.001 0.000 0.237 400 G HA3 0.478 4.438 3.960 -0.001 0.000 0.237 400 G C 0.377 175.337 174.900 0.100 0.000 1.312 400 G CA 0.526 45.638 45.100 0.020 0.000 0.896 400 G HN 3.240 nan 8.290 nan 0.000 0.574 401 G N -2.449 106.416 108.800 0.107 0.000 2.757 401 G HA2 0.480 4.440 3.960 -0.001 0.000 0.638 401 G HA3 0.480 4.440 3.960 -0.001 0.000 0.638 401 G C 0.107 174.980 174.900 -0.046 0.000 1.344 401 G CA 0.861 45.983 45.100 0.036 0.000 0.855 401 G HN 2.977 nan 8.290 nan 0.000 0.537 402 S N -0.891 114.760 115.700 -0.082 0.000 2.607 402 S HA 0.835 5.304 4.470 -0.001 0.000 0.273 402 S C -2.020 172.550 174.600 -0.050 0.000 1.148 402 S CA -0.547 57.605 58.200 -0.080 0.000 0.833 402 S CB 2.675 65.792 63.200 -0.139 0.000 1.130 402 S HN 0.494 nan 8.310 nan 0.000 0.470 403 P HA 0.068 nan 4.420 nan 0.000 0.217 403 P C -0.359 176.936 177.300 -0.008 0.000 1.150 403 P CA 1.322 64.410 63.100 -0.020 0.000 0.832 403 P CB -0.100 31.592 31.700 -0.013 0.000 0.787 404 D N -2.617 117.783 120.400 0.000 0.000 2.272 404 D HA 0.077 4.716 4.640 -0.001 0.000 0.247 404 D C 0.712 177.055 176.300 0.071 0.000 0.990 404 D CA -0.678 53.350 54.000 0.046 0.000 0.931 404 D CB 0.915 41.747 40.800 0.053 0.000 1.195 404 D HN -0.067 nan 8.370 nan 0.000 0.477 405 Y N 0.950 121.261 120.300 0.018 0.000 2.128 405 Y HA -0.179 4.370 4.550 -0.001 0.000 0.284 405 Y C 1.230 177.170 175.900 0.067 0.000 1.154 405 Y CA 1.547 59.686 58.100 0.064 0.000 1.149 405 Y CB 0.301 38.801 38.460 0.066 0.000 0.976 405 Y HN 0.297 nan 8.280 nan 0.000 0.505 406 T N -0.815 113.909 114.554 0.284 0.000 2.883 406 T HA 0.265 4.614 4.350 -0.001 0.000 0.296 406 T C -1.526 173.221 174.700 0.078 0.000 1.117 406 T CA -0.418 61.795 62.100 0.188 0.000 1.006 406 T CB 0.959 69.914 68.868 0.145 0.000 1.191 406 T HN 0.196 nan 8.240 nan 0.000 0.508 407 D N 1.296 121.724 120.400 0.047 0.000 2.737 407 D HA -0.115 4.525 4.640 -0.001 0.000 0.238 407 D C -0.707 175.595 176.300 0.004 0.000 1.157 407 D CA 1.158 55.171 54.000 0.022 0.000 0.694 407 D CB -1.152 39.665 40.800 0.028 0.000 1.021 407 D HN 0.460 nan 8.370 nan 0.000 0.420 408 S N -0.047 115.638 115.700 -0.025 0.000 2.543 408 S HA 0.264 4.733 4.470 -0.001 0.000 0.273 408 S C -1.470 173.086 174.600 -0.074 0.000 1.152 408 S CA -0.863 57.314 58.200 -0.040 0.000 0.910 408 S CB 1.511 64.687 63.200 -0.039 0.000 1.105 408 S HN -0.007 nan 8.310 nan 0.000 0.465 409 D N 3.047 123.411 120.400 -0.060 0.000 2.348 409 D HA 0.522 5.161 4.640 -0.001 0.000 0.253 409 D C 0.519 176.768 176.300 -0.085 0.000 1.161 409 D CA 0.235 54.194 54.000 -0.069 0.000 0.876 409 D CB 1.482 42.255 40.800 -0.045 0.000 1.160 409 D HN 0.676 nan 8.370 nan 0.000 0.459 410 A N 2.275 125.027 122.820 -0.114 0.000 2.272 410 A HA 0.617 4.937 4.320 -0.001 0.000 0.275 410 A C 0.656 178.191 177.584 -0.082 0.000 1.096 410 A CA -0.352 51.612 52.037 -0.122 0.000 0.822 410 A CB 0.526 19.419 19.000 -0.178 0.000 1.088 410 A HN 0.586 nan 8.150 nan 0.000 0.495 411 T N -3.437 111.077 114.554 -0.067 0.000 2.888 411 T HA 0.548 4.897 4.350 -0.001 0.000 0.288 411 T C 0.495 175.153 174.700 -0.069 0.000 1.063 411 T CA 0.264 62.338 62.100 -0.043 0.000 1.010 411 T CB 1.119 69.992 68.868 0.009 0.000 1.214 411 T HN 1.087 nan 8.240 nan 0.000 0.533 412 T N -1.463 113.054 114.554 -0.062 0.000 3.163 412 T HA 0.266 4.616 4.350 -0.001 0.000 0.252 412 T C 0.336 174.989 174.700 -0.078 0.000 1.056 412 T CA -0.524 61.507 62.100 -0.116 0.000 0.947 412 T CB -1.087 67.693 68.868 -0.146 0.000 1.016 412 T HN 0.619 nan 8.240 nan 0.000 0.554 413 N N 1.933 120.646 118.700 0.023 0.000 2.353 413 N HA 0.452 5.191 4.740 -0.001 0.000 0.248 413 N C -0.409 174.969 175.510 -0.220 0.000 1.240 413 N CA 0.666 53.731 53.050 0.024 0.000 0.862 413 N CB 0.360 38.967 38.487 0.200 0.000 1.086 413 N HN 0.644 nan 8.380 nan 0.000 0.453 414 A N 1.534 123.884 122.820 -0.782 0.000 2.547 414 A HA 0.634 4.953 4.320 -0.001 0.000 0.297 414 A C -1.577 175.455 177.584 -0.921 0.000 1.056 414 A CA -0.605 51.104 52.037 -0.547 0.000 0.688 414 A CB 0.950 19.730 19.000 -0.365 0.000 1.282 414 A HN 0.812 nan 8.150 nan 0.000 0.400 415 H N -0.279 118.646 119.070 -0.241 0.000 2.928 415 H HA 0.698 5.254 4.556 -0.001 0.000 0.371 415 H C -1.020 174.262 175.328 -0.076 0.000 1.186 415 H CA -0.501 55.460 56.048 -0.144 0.000 1.134 415 H CB 1.748 31.507 29.762 -0.005 0.000 1.824 415 H HN 0.556 nan 8.280 nan 0.000 0.554 416 I N 2.689 123.311 120.570 0.087 0.000 2.382 416 I HA 0.301 4.471 4.170 -0.001 0.000 0.286 416 I C -0.594 175.565 176.117 0.071 0.000 1.002 416 I CA -0.268 61.078 61.300 0.076 0.000 1.135 416 I CB 0.946 39.002 38.000 0.092 0.000 1.288 416 I HN 0.269 nan 8.210 nan 0.000 0.448 417 I N 5.502 126.076 120.570 0.007 0.000 2.359 417 I HA 0.287 4.457 4.170 -0.001 0.000 0.294 417 I C -0.088 175.922 176.117 -0.179 0.000 0.987 417 I CA -0.262 61.000 61.300 -0.064 0.000 1.225 417 I CB 1.752 39.712 38.000 -0.066 0.000 1.366 417 I HN 0.459 nan 8.210 nan 0.000 0.466 418 T N 7.283 121.740 114.554 -0.162 0.000 2.874 418 T HA 0.441 4.790 4.350 -0.001 0.000 0.321 418 T C 0.034 174.585 174.700 -0.247 0.000 1.075 418 T CA -0.503 61.484 62.100 -0.189 0.000 0.966 418 T CB 0.204 69.027 68.868 -0.074 0.000 1.001 418 T HN 0.270 nan 8.240 nan 0.000 0.476 419 L N 2.911 123.875 121.223 -0.431 0.000 2.416 419 L HA 0.487 4.827 4.340 -0.001 0.000 0.272 419 L C 1.272 178.110 176.870 -0.054 0.000 1.161 419 L CA -0.176 54.403 54.840 -0.435 0.000 0.845 419 L CB 0.434 41.880 42.059 -1.022 0.000 1.119 419 L HN 0.724 nan 8.230 nan 0.000 0.464 420 G N 2.398 111.274 108.800 0.126 0.000 3.134 420 G HA2 0.256 4.215 3.960 -0.001 0.000 0.158 420 G HA3 0.256 4.215 3.960 -0.001 0.000 0.158 420 G C -0.351 174.736 174.900 0.311 0.000 1.334 420 G CA -0.408 44.816 45.100 0.207 0.000 1.001 420 G HN 0.466 nan 8.290 nan 0.000 0.600 421 E N 1.432 121.709 120.200 0.129 0.000 2.383 421 E HA 0.236 4.586 4.350 -0.001 0.000 0.264 421 E C -2.155 174.249 176.600 -0.327 0.000 1.050 421 E CA -1.646 54.750 56.400 -0.007 0.000 0.896 421 E CB 0.732 30.399 29.700 -0.055 0.000 0.982 421 E HN 0.023 nan 8.360 nan 0.000 0.424 422 P HA -0.023 nan 4.420 nan 0.000 0.264 422 P C 0.703 177.422 177.300 -0.967 0.000 1.183 422 P CA 1.094 63.328 63.100 -1.445 0.000 0.763 422 P CB 0.381 31.735 31.700 -0.577 0.000 0.807 423 G N 1.224 109.197 108.800 -1.379 0.000 2.175 423 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.244 423 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.244 423 G C 0.198 175.025 174.900 -0.122 0.000 0.982 423 G CA 0.285 45.148 45.100 -0.395 0.000 0.641 423 G HN 0.840 nan 8.290 nan 0.000 0.527 424 T N -1.144 113.365 114.554 -0.076 0.000 2.895 424 T HA 0.689 5.039 4.350 -0.001 0.000 0.283 424 T C 0.218 175.145 174.700 0.377 0.000 1.014 424 T CA 0.231 62.416 62.100 0.143 0.000 1.037 424 T CB 1.994 70.911 68.868 0.082 0.000 1.006 424 T HN 0.460 nan 8.240 nan 0.000 0.468 425 S N 4.752 120.616 115.700 0.273 0.000 2.465 425 S HA 0.289 4.759 4.470 -0.001 0.000 0.280 425 S C -1.724 172.986 174.600 0.182 0.000 1.232 425 S CA -0.786 57.567 58.200 0.255 0.000 1.066 425 S CB -0.230 63.066 63.200 0.160 0.000 0.929 425 S HN 0.693 nan 8.310 nan 0.000 0.494 426 P HA 0.133 nan 4.420 nan 0.000 0.274 426 P C -0.410 176.910 177.300 0.034 0.000 1.231 426 P CA -0.626 62.496 63.100 0.038 0.000 0.790 426 P CB 0.424 32.037 31.700 -0.145 0.000 0.951 427 N N 0.970 119.684 118.700 0.023 0.000 2.447 427 N HA 0.125 4.864 4.740 -0.001 0.000 0.263 427 N C -0.502 175.028 175.510 0.032 0.000 1.226 427 N CA 0.256 53.327 53.050 0.034 0.000 0.906 427 N CB 0.110 38.617 38.487 0.033 0.000 1.060 427 N HN 0.449 nan 8.380 nan 0.000 0.468 428 T N 0.663 115.256 114.554 0.065 0.000 2.861 428 T HA 0.631 4.980 4.350 -0.001 0.000 0.287 428 T C -0.183 174.611 174.700 0.157 0.000 1.003 428 T CA -0.811 61.347 62.100 0.097 0.000 0.977 428 T CB 0.824 69.743 68.868 0.085 0.000 0.996 428 T HN 0.336 nan 8.240 nan 0.000 0.448 429 V N 0.382 120.410 119.914 0.190 0.000 3.141 429 V HA 0.825 4.944 4.120 -0.001 0.000 0.312 429 V C -0.596 175.647 176.094 0.248 0.000 1.157 429 V CA -1.498 60.928 62.300 0.209 0.000 1.041 429 V CB 1.470 33.379 31.823 0.142 0.000 1.071 429 V HN 0.847 nan 8.190 nan 0.000 0.441 430 F N 1.739 121.704 119.950 0.026 0.000 2.429 430 F HA 0.685 5.211 4.527 -0.001 0.000 0.348 430 F C 0.856 176.614 175.800 -0.070 0.000 1.109 430 F CA 0.108 58.017 58.000 -0.153 0.000 1.232 430 F CB 1.007 39.920 39.000 -0.144 0.000 1.157 430 F HN 0.894 nan 8.300 nan 0.000 0.564 431 A N 4.829 127.396 122.820 -0.422 0.000 2.343 431 A HA 0.500 4.819 4.320 -0.001 0.000 0.305 431 A C 0.616 178.240 177.584 0.066 0.000 1.308 431 A CA 0.608 52.538 52.037 -0.179 0.000 0.949 431 A CB -0.067 18.707 19.000 -0.376 0.000 1.148 431 A HN 1.205 nan 8.150 nan 0.000 0.545 432 S N 2.020 117.833 115.700 0.188 0.000 3.762 432 S HA -0.324 4.146 4.470 -0.001 0.000 0.627 432 S C 0.971 175.721 174.600 0.250 0.000 2.389 432 S CA 1.640 59.975 58.200 0.225 0.000 3.978 432 S CB -1.161 62.233 63.200 0.323 0.000 0.234 432 S HN 1.424 nan 8.310 nan 0.000 0.960 433 N N 1.958 120.765 118.700 0.179 0.000 2.238 433 N HA 0.423 5.162 4.740 -0.001 0.000 0.222 433 N C 0.229 175.807 175.510 0.113 0.000 1.133 433 N CA 1.785 54.910 53.050 0.126 0.000 0.854 433 N CB 0.420 38.879 38.487 -0.047 0.000 1.041 433 N HN 1.442 nan 8.380 nan 0.000 0.510 434 G N -0.083 108.738 108.800 0.035 0.000 2.712 434 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.683 434 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.683 434 G C -0.727 173.717 174.900 -0.759 0.000 1.320 434 G CA -0.628 44.311 45.100 -0.268 0.000 0.847 434 G HN 0.199 nan 8.290 nan 0.000 0.553 435 L N 0.158 120.878 121.223 -0.839 0.000 2.506 435 L HA 0.109 4.449 4.340 -0.001 0.000 0.281 435 L C 1.798 178.296 176.870 -0.621 0.000 1.228 435 L CA -0.138 54.164 54.840 -0.897 0.000 0.850 435 L CB 0.239 41.988 42.059 -0.517 0.000 1.110 435 L HN 0.680 nan 8.230 nan 0.000 0.496 436 Y N 1.391 121.360 120.300 -0.553 0.000 2.242 436 Y HA -0.090 4.460 4.550 -0.000 0.000 0.291 436 Y C 0.493 175.882 175.900 -0.851 0.000 1.137 436 Y CA 1.267 58.979 58.100 -0.646 0.000 1.181 436 Y CB 0.033 38.070 38.460 -0.704 0.000 0.989 436 Y HN 0.259 nan 8.280 nan 0.000 0.527 437 F N -0.753 119.155 119.950 -0.070 0.000 2.507 437 F HA 0.598 5.124 4.527 -0.002 0.000 0.328 437 F C 0.196 175.888 175.800 -0.181 0.000 1.136 437 F CA -1.863 56.073 58.000 -0.107 0.000 0.930 437 F CB 0.748 39.687 39.000 -0.101 0.000 1.166 437 F HN -0.255 nan 8.300 nan 0.000 0.436 438 A N 4.733 127.540 122.820 -0.021 0.000 2.531 438 A HA 0.636 4.955 4.320 -0.001 0.000 0.236 438 A C 0.096 177.601 177.584 -0.131 0.000 1.062 438 A CA -0.166 51.814 52.037 -0.094 0.000 0.760 438 A CB 0.153 19.109 19.000 -0.073 0.000 0.995 438 A HN 0.907 nan 8.150 nan 0.000 0.501 439 R N 0.288 120.643 120.500 -0.242 0.000 2.634 439 R HA 0.710 5.050 4.340 -0.001 0.000 0.263 439 R C -1.074 175.025 176.300 -0.335 0.000 1.060 439 R CA -0.577 55.332 56.100 -0.318 0.000 0.898 439 R CB 1.281 31.327 30.300 -0.423 0.000 1.253 439 R HN 0.589 nan 8.270 nan 0.000 0.461 440 T N 0.919 115.342 114.554 -0.219 0.000 2.906 440 T HA 0.576 4.926 4.350 -0.001 0.000 0.295 440 T C -0.639 173.966 174.700 -0.159 0.000 1.075 440 T CA -0.243 61.745 62.100 -0.186 0.000 1.005 440 T CB 0.566 69.074 68.868 -0.601 0.000 1.136 440 T HN 0.578 nan 8.240 nan 0.000 0.498 441 F N 1.068 121.062 119.950 0.072 0.000 2.794 441 F HA -0.174 4.352 4.527 -0.001 0.000 0.335 441 F C 0.790 176.561 175.800 -0.050 0.000 0.653 441 F CA 0.687 58.654 58.000 -0.056 0.000 1.266 441 F CB -3.004 35.984 39.000 -0.021 0.000 1.666 441 F HN 0.814 nan 8.300 nan 0.000 0.314 442 H N 0.291 119.363 119.070 0.004 0.000 2.660 442 H HA 0.674 5.230 4.556 -0.001 0.000 0.374 442 H C 0.676 175.994 175.328 -0.016 0.000 1.291 442 H CA 0.406 56.444 56.048 -0.017 0.000 1.437 442 H CB 0.479 30.233 29.762 -0.013 0.000 1.509 442 H HN 0.244 nan 8.280 nan 0.000 0.614 443 T N -1.894 112.664 114.554 0.006 0.000 2.901 443 T HA 0.635 4.985 4.350 -0.001 0.000 0.293 443 T C -0.564 174.194 174.700 0.096 0.000 1.084 443 T CA -0.683 61.404 62.100 -0.023 0.000 1.008 443 T CB 1.663 70.531 68.868 -0.001 0.000 1.170 443 T HN 0.938 nan 8.240 nan 0.000 0.509 444 S N -0.354 115.418 115.700 0.120 0.000 2.570 444 S HA 0.835 5.305 4.470 -0.001 0.000 0.270 444 S C -0.836 173.890 174.600 0.211 0.000 1.149 444 S CA -0.526 57.805 58.200 0.218 0.000 0.837 444 S CB 1.265 64.707 63.200 0.404 0.000 1.124 444 S HN 2.003 nan 8.310 nan 0.000 0.465 445 V N -1.567 118.501 119.914 0.256 0.000 3.012 445 V HA 0.888 5.008 4.120 -0.001 0.000 0.307 445 V C -0.293 175.922 176.094 0.201 0.000 1.166 445 V CA -0.909 61.513 62.300 0.203 0.000 0.974 445 V CB 1.141 33.071 31.823 0.179 0.000 1.040 445 V HN 1.215 nan 8.190 nan 0.000 0.428 446 V N 4.962 124.978 119.914 0.170 0.000 2.649 446 V HA 0.565 4.684 4.120 -0.001 0.000 0.292 446 V C -0.071 176.082 176.094 0.098 0.000 1.055 446 V CA -0.079 62.316 62.300 0.158 0.000 1.023 446 V CB 1.037 32.972 31.823 0.188 0.000 0.992 446 V HN 0.838 nan 8.190 nan 0.000 0.480 447 L N 6.951 128.218 121.223 0.074 0.000 2.358 447 L HA 0.487 4.826 4.340 -0.001 0.000 0.268 447 L C -1.493 175.298 176.870 -0.132 0.000 1.032 447 L CA -1.912 52.927 54.840 -0.000 0.000 0.805 447 L CB 1.363 43.502 42.059 0.134 0.000 1.253 447 L HN 0.392 nan 8.230 nan 0.000 0.452 448 P HA -0.182 nan 4.420 nan 0.000 0.217 448 P C 0.307 177.436 177.300 -0.285 0.000 1.148 448 P CA 1.224 64.013 63.100 -0.519 0.000 0.828 448 P CB -0.036 31.058 31.700 -1.011 0.000 0.783 449 D N -2.422 117.818 120.400 -0.266 0.000 2.325 449 D HA 0.158 4.797 4.640 -0.001 0.000 0.234 449 D C 1.379 177.638 176.300 -0.068 0.000 1.122 449 D CA 0.296 54.197 54.000 -0.166 0.000 0.850 449 D CB -0.949 39.756 40.800 -0.159 0.000 0.921 449 D HN 0.226 nan 8.370 nan 0.000 0.513 450 G N 0.150 108.937 108.800 -0.021 0.000 2.199 450 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.254 450 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.254 450 G C 0.482 175.380 174.900 -0.004 0.000 0.982 450 G CA 0.431 45.561 45.100 0.050 0.000 0.632 450 G HN 0.839 nan 8.290 nan 0.000 0.529 451 S N -0.253 115.430 115.700 -0.028 0.000 2.617 451 S HA 0.684 5.153 4.470 -0.001 0.000 0.269 451 S C -0.031 174.587 174.600 0.031 0.000 1.292 451 S CA 0.571 58.737 58.200 -0.057 0.000 1.010 451 S CB 1.993 65.175 63.200 -0.029 0.000 0.944 451 S HN 0.594 nan 8.310 nan 0.000 0.536 452 T N 2.654 117.226 114.554 0.030 0.000 2.792 452 T HA 0.440 4.789 4.350 -0.001 0.000 0.280 452 T C -0.982 173.786 174.700 0.113 0.000 0.990 452 T CA -0.316 61.841 62.100 0.095 0.000 0.960 452 T CB 0.388 69.294 68.868 0.065 0.000 0.939 452 T HN 0.564 nan 8.240 nan 0.000 0.439 453 F N 4.581 124.531 119.950 0.000 0.000 2.408 453 F HA 0.709 5.235 4.527 -0.001 0.000 0.344 453 F C -0.839 174.948 175.800 -0.022 0.000 1.112 453 F CA -1.129 56.842 58.000 -0.048 0.000 1.096 453 F CB 0.443 39.391 39.000 -0.087 0.000 1.129 453 F HN 0.430 nan 8.300 nan 0.000 0.486 454 I N 5.524 125.669 120.570 -0.708 0.000 2.499 454 I HA 0.371 4.540 4.170 -0.001 0.000 0.288 454 I C -0.480 175.289 176.117 -0.580 0.000 1.048 454 I CA -0.431 60.620 61.300 -0.414 0.000 1.062 454 I CB 2.188 40.007 38.000 -0.302 0.000 1.238 454 I HN 0.595 nan 8.210 nan 0.000 0.426 455 T N 3.437 117.809 114.554 -0.302 0.000 2.894 455 T HA 0.737 5.087 4.350 -0.001 0.000 0.309 455 T C -0.076 174.599 174.700 -0.041 0.000 1.208 455 T CA 0.605 62.570 62.100 -0.226 0.000 1.016 455 T CB 1.621 70.389 68.868 -0.168 0.000 1.192 455 T HN 1.160 nan 8.240 nan 0.000 0.491 456 G N 1.398 110.146 108.800 -0.087 0.000 2.598 456 G HA2 0.370 4.329 3.960 -0.001 0.000 0.244 456 G HA3 0.370 4.329 3.960 -0.001 0.000 0.244 456 G C 0.700 175.549 174.900 -0.084 0.000 1.302 456 G CA 0.382 45.414 45.100 -0.114 0.000 0.903 456 G HN 2.523 nan 8.290 nan 0.000 0.575 457 G N -1.853 106.922 108.800 -0.041 0.000 2.685 457 G HA2 0.538 4.497 3.960 -0.001 0.000 0.387 457 G HA3 0.538 4.497 3.960 -0.001 0.000 0.387 457 G C -0.352 174.485 174.900 -0.105 0.000 1.324 457 G CA 0.908 46.010 45.100 0.004 0.000 0.878 457 G HN 2.587 nan 8.290 nan 0.000 0.527 458 Q N -1.440 118.302 119.800 -0.098 0.000 2.462 458 Q HA 0.703 5.043 4.340 -0.001 0.000 0.285 458 Q C 0.882 176.795 176.000 -0.144 0.000 1.035 458 Q CA -0.804 54.923 55.803 -0.128 0.000 0.799 458 Q CB 1.773 30.478 28.738 -0.056 0.000 1.452 458 Q HN 0.689 nan 8.270 nan 0.000 0.404 459 R N 0.357 120.785 120.500 -0.121 0.000 2.093 459 R HA 0.071 4.410 4.340 -0.001 0.000 0.224 459 R C 0.219 176.454 176.300 -0.107 0.000 1.101 459 R CA 0.842 56.881 56.100 -0.101 0.000 0.979 459 R CB 0.444 30.709 30.300 -0.059 0.000 0.877 459 R HN 0.656 nan 8.270 nan 0.000 0.441 460 R N -0.024 120.420 120.500 -0.094 0.000 2.439 460 R HA 0.260 4.600 4.340 -0.001 0.000 0.310 460 R C -1.147 175.096 176.300 -0.095 0.000 0.955 460 R CA -0.387 55.659 56.100 -0.091 0.000 0.853 460 R CB 1.790 32.060 30.300 -0.049 0.000 1.171 460 R HN 0.190 nan 8.270 nan 0.000 0.449 461 G N 5.059 113.759 108.800 -0.166 0.000 2.358 461 G HA2 0.389 4.348 3.960 -0.001 0.000 0.273 461 G HA3 0.389 4.348 3.960 -0.001 0.000 0.273 461 G C -0.273 174.670 174.900 0.072 0.000 1.215 461 G CA -0.319 44.696 45.100 -0.141 0.000 0.910 461 G HN 0.593 nan 8.290 nan 0.000 0.467 462 I N 4.602 125.269 120.570 0.162 0.000 2.560 462 I HA 0.164 4.334 4.170 -0.001 0.000 0.278 462 I C 0.430 176.556 176.117 0.015 0.000 1.089 462 I CA -0.757 60.588 61.300 0.074 0.000 1.086 462 I CB 1.541 39.570 38.000 0.048 0.000 1.202 462 I HN 0.550 nan 8.210 nan 0.000 0.471 463 I N 3.094 123.544 120.570 -0.198 0.000 2.775 463 I HA 0.087 4.256 4.170 -0.001 0.000 0.290 463 I C 0.255 176.137 176.117 -0.391 0.000 1.203 463 I CA 0.272 61.168 61.300 -0.674 0.000 1.433 463 I CB -0.010 37.135 38.000 -1.426 0.000 1.354 463 I HN 0.674 nan 8.210 nan 0.000 0.579 464 F N 1.324 121.270 119.950 -0.007 0.000 2.825 464 F HA -0.229 4.297 4.527 -0.001 0.000 0.358 464 F C 0.670 176.489 175.800 0.030 0.000 0.639 464 F CA 1.223 59.247 58.000 0.039 0.000 1.153 464 F CB -2.121 36.916 39.000 0.061 0.000 1.610 464 F HN 0.775 nan 8.300 nan 0.000 0.305 465 E N 0.984 121.288 120.200 0.174 0.000 2.151 465 E HA 0.279 4.628 4.350 -0.001 0.000 0.275 465 E C -0.094 176.559 176.600 0.088 0.000 0.936 465 E CA -0.431 56.038 56.400 0.116 0.000 0.777 465 E CB 0.796 30.546 29.700 0.084 0.000 1.108 465 E HN 0.008 nan 8.360 nan 0.000 0.401 466 D N 2.844 123.289 120.400 0.075 0.000 2.676 466 D HA 0.036 4.676 4.640 -0.001 0.000 0.239 466 D C -0.152 176.153 176.300 0.008 0.000 1.213 466 D CA 0.194 54.225 54.000 0.052 0.000 0.835 466 D CB -0.049 40.802 40.800 0.084 0.000 1.009 466 D HN 0.321 nan 8.370 nan 0.000 0.479 467 S N -1.057 114.649 115.700 0.011 0.000 2.669 467 S HA 0.255 4.724 4.470 -0.001 0.000 0.270 467 S C 0.858 175.430 174.600 -0.046 0.000 1.225 467 S CA -0.215 57.980 58.200 -0.008 0.000 0.991 467 S CB 1.073 64.278 63.200 0.008 0.000 0.987 467 S HN 0.295 nan 8.310 nan 0.000 0.552 468 T N -2.347 112.175 114.554 -0.053 0.000 3.622 468 T HA -0.121 4.229 4.350 -0.001 0.000 0.380 468 T C -1.997 172.600 174.700 -0.171 0.000 0.764 468 T CA 0.372 62.422 62.100 -0.083 0.000 1.908 468 T CB -2.459 66.374 68.868 -0.058 0.000 1.771 468 T HN 0.662 nan 8.240 nan 0.000 0.706 469 P HA 0.461 nan 4.420 nan 0.000 0.271 469 P C -0.024 176.877 177.300 -0.665 0.000 1.216 469 P CA -0.458 62.325 63.100 -0.528 0.000 0.776 469 P CB 1.234 32.437 31.700 -0.828 0.000 0.881 470 V N 4.482 124.027 119.914 -0.615 0.000 2.350 470 V HA 0.158 4.278 4.120 -0.001 0.000 0.276 470 V C 0.778 176.489 176.094 -0.639 0.000 1.028 470 V CA 0.058 62.004 62.300 -0.589 0.000 0.860 470 V CB 0.148 31.734 31.823 -0.396 0.000 0.990 470 V HN 0.419 nan 8.190 nan 0.000 0.453 471 F N 1.467 121.193 119.950 -0.373 0.000 2.746 471 F HA 0.169 4.696 4.527 0.000 0.000 0.297 471 F C 1.364 176.990 175.800 -0.291 0.000 1.113 471 F CA 0.138 57.945 58.000 -0.321 0.000 1.367 471 F CB 0.336 39.170 39.000 -0.278 0.000 1.111 471 F HN 0.361 nan 8.300 nan 0.000 0.590 472 T N 3.351 117.762 114.554 -0.238 0.000 2.770 472 T HA 0.332 4.682 4.350 -0.001 0.000 0.297 472 T C -2.503 172.137 174.700 -0.100 0.000 0.997 472 T CA -1.630 60.385 62.100 -0.142 0.000 0.949 472 T CB 1.534 70.262 68.868 -0.235 0.000 0.941 472 T HN -0.270 nan 8.240 nan 0.000 0.457 473 P HA 0.331 nan 4.420 nan 0.000 0.274 473 P C -0.397 176.832 177.300 -0.119 0.000 1.237 473 P CA -0.506 62.471 63.100 -0.204 0.000 0.793 473 P CB 0.834 32.340 31.700 -0.323 0.000 0.977 474 E N 0.521 120.616 120.200 -0.176 0.000 2.312 474 E HA 0.605 4.954 4.350 -0.001 0.000 0.267 474 E C -0.677 175.931 176.600 0.012 0.000 0.894 474 E CA -0.753 55.668 56.400 0.035 0.000 0.773 474 E CB 1.926 31.721 29.700 0.159 0.000 1.241 474 E HN 0.304 nan 8.360 nan 0.000 0.432 475 I N 2.209 122.891 120.570 0.187 0.000 2.436 475 I HA 0.218 4.388 4.170 -0.001 0.000 0.289 475 I C -1.185 175.020 176.117 0.146 0.000 1.010 475 I CA -0.987 60.409 61.300 0.160 0.000 1.098 475 I CB 1.131 39.235 38.000 0.174 0.000 1.266 475 I HN 0.523 nan 8.210 nan 0.000 0.434 476 Y N 7.056 127.229 120.300 -0.211 0.000 2.316 476 Y HA 0.435 4.985 4.550 -0.001 0.000 0.331 476 Y C -0.560 175.130 175.900 -0.350 0.000 1.083 476 Y CA -0.376 57.369 58.100 -0.591 0.000 1.206 476 Y CB 1.141 39.049 38.460 -0.921 0.000 1.195 476 Y HN 0.232 nan 8.280 nan 0.000 0.497 477 V N 10.293 129.681 119.914 -0.877 0.000 2.293 477 V HA 0.223 4.342 4.120 -0.001 0.000 0.275 477 V C -1.867 173.674 176.094 -0.923 0.000 1.021 477 V CA -1.518 60.427 62.300 -0.592 0.000 0.815 477 V CB 1.284 32.979 31.823 -0.214 0.000 1.025 477 V HN 0.744 nan 8.190 nan 0.000 0.448 478 P HA -0.140 nan 4.420 nan 0.000 0.218 478 P C 1.413 178.532 177.300 -0.301 0.000 1.149 478 P CA 0.824 63.552 63.100 -0.620 0.000 0.817 478 P CB 0.461 31.964 31.700 -0.329 0.000 0.785 479 E N -0.096 119.978 120.200 -0.210 0.000 2.338 479 E HA -0.189 4.160 4.350 -0.001 0.000 0.197 479 E C 1.670 178.205 176.600 -0.109 0.000 1.007 479 E CA 0.896 57.233 56.400 -0.106 0.000 0.849 479 E CB -0.231 29.424 29.700 -0.075 0.000 0.774 479 E HN 0.259 nan 8.360 nan 0.000 0.506 480 Q N -0.173 119.523 119.800 -0.173 0.000 2.246 480 Q HA 0.024 4.363 4.340 -0.001 0.000 0.222 480 Q C -0.450 175.458 176.000 -0.155 0.000 0.851 480 Q CA 0.359 56.092 55.803 -0.115 0.000 0.945 480 Q CB 0.810 29.517 28.738 -0.052 0.000 1.122 480 Q HN 0.181 nan 8.270 nan 0.000 0.508 481 D N 1.149 121.381 120.400 -0.280 0.000 2.735 481 D HA -0.143 4.497 4.640 -0.001 0.000 0.235 481 D C -1.353 174.835 176.300 -0.187 0.000 1.175 481 D CA 1.041 54.913 54.000 -0.212 0.000 0.683 481 D CB -0.788 40.022 40.800 0.016 0.000 1.008 481 D HN 0.109 nan 8.370 nan 0.000 0.416 482 T N 0.901 115.198 114.554 -0.428 0.000 2.933 482 T HA 0.546 4.896 4.350 -0.001 0.000 0.305 482 T C -0.258 174.194 174.700 -0.414 0.000 1.092 482 T CA -0.618 61.299 62.100 -0.305 0.000 1.008 482 T CB 0.763 69.431 68.868 -0.334 0.000 1.102 482 T HN 0.028 nan 8.240 nan 0.000 0.469 483 F N 1.644 121.516 119.950 -0.129 0.000 2.397 483 F HA 0.630 5.156 4.527 -0.001 0.000 0.331 483 F C -0.382 175.366 175.800 -0.086 0.000 1.090 483 F CA -0.551 57.463 58.000 0.023 0.000 1.065 483 F CB 1.024 40.079 39.000 0.091 0.000 1.184 483 F HN 0.485 nan 8.300 nan 0.000 0.499 484 Y N 1.231 121.731 120.300 0.334 0.000 2.346 484 Y HA 0.334 4.883 4.550 -0.001 0.000 0.332 484 Y C -0.249 175.689 175.900 0.064 0.000 0.985 484 Y CA -1.354 56.855 58.100 0.181 0.000 1.112 484 Y CB 1.540 40.048 38.460 0.080 0.000 1.170 484 Y HN 0.396 nan 8.280 nan 0.000 0.447 485 K N 3.234 123.590 120.400 -0.074 0.000 2.414 485 K HA 0.160 4.479 4.320 -0.001 0.000 0.272 485 K C -0.240 176.407 176.600 0.079 0.000 0.993 485 K CA -0.352 55.893 56.287 -0.070 0.000 0.964 485 K CB 0.500 32.857 32.500 -0.239 0.000 0.925 485 K HN 0.544 nan 8.250 nan 0.000 0.487 486 Q N 1.161 121.035 119.800 0.123 0.000 2.333 486 Q HA 0.238 4.577 4.340 -0.001 0.000 0.266 486 Q C -0.369 175.774 176.000 0.239 0.000 1.053 486 Q CA -1.024 54.909 55.803 0.217 0.000 0.890 486 Q CB 0.703 29.622 28.738 0.300 0.000 1.337 486 Q HN 0.460 nan 8.270 nan 0.000 0.474 487 N N 2.891 121.769 118.700 0.297 0.000 2.357 487 N HA 0.046 4.785 4.740 -0.001 0.000 0.257 487 N C -2.178 173.602 175.510 0.450 0.000 1.250 487 N CA -0.281 52.949 53.050 0.300 0.000 0.862 487 N CB -0.054 38.591 38.487 0.263 0.000 1.066 487 N HN 0.245 nan 8.380 nan 0.000 0.468 488 P HA 0.064 nan 4.420 nan 0.000 0.274 488 P C -0.306 176.990 177.300 -0.006 0.000 1.246 488 P CA -0.345 62.839 63.100 0.141 0.000 0.795 488 P CB 0.841 32.548 31.700 0.011 0.000 1.006 489 N N -0.750 117.747 118.700 -0.338 0.000 2.906 489 N HA 0.222 4.962 4.740 -0.001 0.000 0.327 489 N C -0.026 175.238 175.510 -0.410 0.000 1.344 489 N CA -0.748 51.913 53.050 -0.647 0.000 0.823 489 N CB 0.468 37.984 38.487 -1.619 0.000 1.351 489 N HN 0.214 nan 8.380 nan 0.000 0.604 490 S N -0.992 114.473 115.700 -0.391 0.000 2.603 490 S HA 0.397 4.867 4.470 -0.001 0.000 0.232 490 S C 0.357 174.842 174.600 -0.191 0.000 1.016 490 S CA -0.388 57.544 58.200 -0.447 0.000 0.976 490 S CB -0.086 62.932 63.200 -0.303 0.000 0.921 490 S HN 0.471 nan 8.310 nan 0.000 0.516 491 I N 2.122 122.626 120.570 -0.111 0.000 2.378 491 I HA 0.295 4.464 4.170 -0.001 0.000 0.291 491 I C -0.355 175.688 176.117 -0.125 0.000 0.992 491 I CA -0.898 60.332 61.300 -0.117 0.000 1.154 491 I CB 1.803 39.668 38.000 -0.226 0.000 1.315 491 I HN -0.145 nan 8.210 nan 0.000 0.448 492 V N 7.278 127.108 119.914 -0.139 0.000 2.540 492 V HA 0.065 4.184 4.120 -0.001 0.000 0.297 492 V C 0.483 176.328 176.094 -0.415 0.000 1.024 492 V CA -0.008 62.122 62.300 -0.283 0.000 1.105 492 V CB -0.136 31.591 31.823 -0.159 0.000 0.938 492 V HN 0.589 nan 8.190 nan 0.000 0.482 493 R N 4.111 124.433 120.500 -0.297 0.000 2.402 493 R HA 0.661 5.000 4.340 -0.001 0.000 0.290 493 R C 0.107 176.342 176.300 -0.107 0.000 1.321 493 R CA -0.012 55.963 56.100 -0.209 0.000 1.283 493 R CB 1.205 31.404 30.300 -0.168 0.000 1.111 493 R HN 0.808 nan 8.270 nan 0.000 0.578 494 A N 1.738 124.525 122.820 -0.056 0.000 3.754 494 A HA 0.337 4.656 4.320 -0.001 0.000 0.177 494 A C -0.743 176.849 177.584 0.013 0.000 1.197 494 A CA -0.333 51.741 52.037 0.062 0.000 1.373 494 A CB -0.127 18.936 19.000 0.104 0.000 1.583 494 A HN 0.439 nan 8.150 nan 0.000 0.668 495 Y N 1.025 121.148 120.300 -0.296 0.000 2.717 495 Y HA 0.193 4.742 4.550 -0.001 0.000 0.330 495 Y C 0.799 176.458 175.900 -0.401 0.000 1.217 495 Y CA 1.909 59.546 58.100 -0.772 0.000 1.506 495 Y CB -0.751 36.977 38.460 -1.220 0.000 1.268 495 Y HN 0.752 nan 8.280 nan 0.000 0.561 496 H N 1.296 119.747 119.070 -1.033 0.000 3.049 496 H HA -0.166 4.390 4.556 -0.001 0.000 0.250 496 H C 0.094 175.154 175.328 -0.446 0.000 1.219 496 H CA 0.222 55.759 56.048 -0.852 0.000 1.117 496 H CB -1.294 28.100 29.762 -0.614 0.000 1.251 496 H HN 0.574 nan 8.280 nan 0.000 0.338 497 S N 0.623 116.178 115.700 -0.241 0.000 2.690 497 S HA 0.765 5.235 4.470 -0.001 0.000 0.291 497 S C 0.061 174.568 174.600 -0.155 0.000 1.138 497 S CA -0.311 57.796 58.200 -0.156 0.000 1.013 497 S CB 2.599 65.735 63.200 -0.107 0.000 1.053 497 S HN 0.435 nan 8.310 nan 0.000 0.539 498 I N -2.154 118.365 120.570 -0.086 0.000 2.994 498 I HA 0.861 5.030 4.170 -0.001 0.000 0.306 498 I C -0.763 175.384 176.117 0.050 0.000 1.195 498 I CA -0.641 60.630 61.300 -0.049 0.000 1.001 498 I CB 1.902 39.866 38.000 -0.059 0.000 1.244 498 I HN 0.563 nan 8.210 nan 0.000 0.437 499 S N 3.428 119.180 115.700 0.088 0.000 2.564 499 S HA 0.910 5.379 4.470 -0.001 0.000 0.274 499 S C -1.063 173.641 174.600 0.172 0.000 1.124 499 S CA -0.622 57.684 58.200 0.178 0.000 0.869 499 S CB 1.648 64.973 63.200 0.209 0.000 1.105 499 S HN 0.623 nan 8.310 nan 0.000 0.472 500 L N 1.864 123.222 121.223 0.225 0.000 2.465 500 L HA 0.543 4.883 4.340 -0.001 0.000 0.257 500 L C -1.286 175.686 176.870 0.170 0.000 0.988 500 L CA -0.950 53.991 54.840 0.168 0.000 0.827 500 L CB 1.673 43.816 42.059 0.140 0.000 1.397 500 L HN 0.473 nan 8.230 nan 0.000 0.410 501 L N 2.689 123.985 121.223 0.122 0.000 2.410 501 L HA 0.331 4.671 4.340 -0.001 0.000 0.273 501 L C -0.489 176.452 176.870 0.118 0.000 1.144 501 L CA 0.560 55.462 54.840 0.104 0.000 0.863 501 L CB 0.333 42.434 42.059 0.070 0.000 1.140 501 L HN 0.353 nan 8.230 nan 0.000 0.463 502 L N 7.285 128.599 121.223 0.152 0.000 2.421 502 L HA 0.328 4.668 4.340 -0.001 0.000 0.263 502 L C -1.213 175.758 176.870 0.168 0.000 1.122 502 L CA -1.615 53.322 54.840 0.163 0.000 0.804 502 L CB 0.382 42.567 42.059 0.211 0.000 1.150 502 L HN 0.503 nan 8.230 nan 0.000 0.457 503 P HA -0.164 nan 4.420 nan 0.000 0.219 503 P C 0.409 177.817 177.300 0.179 0.000 1.146 503 P CA 1.065 64.228 63.100 0.105 0.000 0.808 503 P CB -0.029 31.715 31.700 0.074 0.000 0.779 504 D N -2.289 118.212 120.400 0.169 0.000 2.328 504 D HA 0.137 4.776 4.640 -0.001 0.000 0.226 504 D C 1.355 177.784 176.300 0.215 0.000 1.066 504 D CA 0.427 54.527 54.000 0.167 0.000 0.861 504 D CB -0.982 39.877 40.800 0.098 0.000 0.912 504 D HN 0.182 nan 8.370 nan 0.000 0.521 505 G N -0.097 108.864 108.800 0.268 0.000 2.179 505 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.260 505 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.260 505 G C 0.411 175.374 174.900 0.106 0.000 0.977 505 G CA 0.043 45.229 45.100 0.143 0.000 0.641 505 G HN 0.477 nan 8.290 nan 0.000 0.533 506 R N -0.723 119.824 120.500 0.078 0.000 2.546 506 R HA 0.631 4.970 4.340 -0.001 0.000 0.266 506 R C 0.012 176.329 176.300 0.027 0.000 1.086 506 R CA -0.474 55.625 56.100 -0.000 0.000 1.160 506 R CB 1.185 31.494 30.300 0.015 0.000 1.138 506 R HN 0.085 nan 8.270 nan 0.000 0.567 507 V N 1.754 121.640 119.914 -0.046 0.000 2.483 507 V HA 0.298 4.418 4.120 -0.001 0.000 0.295 507 V C -0.806 175.365 176.094 0.129 0.000 1.035 507 V CA -0.583 61.712 62.300 -0.009 0.000 0.896 507 V CB 1.322 32.974 31.823 -0.285 0.000 0.986 507 V HN 0.497 nan 8.190 nan 0.000 0.447 508 F N 5.189 125.180 119.950 0.067 0.000 2.411 508 F HA 0.516 5.042 4.527 -0.001 0.000 0.352 508 F C 0.069 175.938 175.800 0.114 0.000 1.123 508 F CA -0.160 57.891 58.000 0.085 0.000 1.044 508 F CB 0.868 39.934 39.000 0.110 0.000 1.135 508 F HN 0.569 nan 8.300 nan 0.000 0.461 509 N N 4.667 123.310 118.700 -0.095 0.000 2.461 509 N HA 0.626 5.366 4.740 -0.001 0.000 0.284 509 N C -0.980 174.428 175.510 -0.170 0.000 1.049 509 N CA -0.272 52.807 53.050 0.049 0.000 0.889 509 N CB 1.730 40.424 38.487 0.345 0.000 1.365 509 N HN 0.893 nan 8.380 nan 0.000 0.499 510 G N 1.000 109.725 108.800 -0.125 0.000 2.782 510 G HA2 0.728 4.687 3.960 -0.001 0.000 0.304 510 G HA3 0.728 4.687 3.960 -0.001 0.000 0.304 510 G C -0.064 174.788 174.900 -0.080 0.000 1.315 510 G CA -0.053 44.954 45.100 -0.154 0.000 0.791 510 G HN 0.866 nan 8.290 nan 0.000 0.519 511 G N -1.547 107.219 108.800 -0.057 0.000 2.642 511 G HA2 0.522 4.481 3.960 -0.001 0.000 0.231 511 G HA3 0.522 4.481 3.960 -0.001 0.000 0.231 511 G C 0.802 175.687 174.900 -0.025 0.000 1.338 511 G CA 1.044 46.113 45.100 -0.052 0.000 0.883 511 G HN 2.980 nan 8.290 nan 0.000 0.570 512 G N -2.192 106.599 108.800 -0.016 0.000 3.367 512 G HA2 0.577 4.537 3.960 -0.001 0.000 0.686 512 G HA3 0.577 4.537 3.960 -0.001 0.000 0.686 512 G C 0.910 175.898 174.900 0.146 0.000 1.146 512 G CA 0.580 45.714 45.100 0.058 0.000 0.913 512 G HN 3.191 nan 8.290 nan 0.000 0.554 513 G N 1.342 110.254 108.800 0.188 0.000 2.785 513 G HA2 0.425 4.385 3.960 -0.001 0.000 0.218 513 G HA3 0.425 4.385 3.960 -0.001 0.000 0.218 513 G C 0.461 175.517 174.900 0.260 0.000 1.251 513 G CA 0.834 46.048 45.100 0.190 0.000 1.129 513 G HN 2.665 nan 8.290 nan 0.000 0.573 514 L N -0.632 120.588 121.223 -0.005 0.000 3.571 514 L HA -0.115 4.224 4.340 -0.001 0.000 0.630 514 L C 0.683 177.573 176.870 0.034 0.000 1.265 514 L CA 1.431 56.260 54.840 -0.019 0.000 0.998 514 L CB -1.735 40.324 42.059 -0.001 0.000 1.574 514 L HN 2.194 nan 8.230 nan 0.000 0.867 515 C N 0.457 119.602 119.300 -0.257 0.000 3.214 515 C HA 0.757 5.217 4.460 -0.001 0.000 0.261 515 C C 1.700 176.450 174.990 -0.401 0.000 2.279 515 C CA -0.196 58.495 59.018 -0.544 0.000 1.606 515 C CB -0.380 26.578 27.740 -1.304 0.000 3.251 515 C HN 2.235 nan 8.230 nan 0.000 0.443 516 G N 3.058 111.676 108.800 -0.302 0.000 2.561 516 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.289 516 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.289 516 G C 0.162 174.953 174.900 -0.182 0.000 1.169 516 G CA 1.102 46.054 45.100 -0.247 0.000 0.980 516 G HN 0.928 nan 8.290 nan 0.000 0.550 517 D N 1.359 121.665 120.400 -0.156 0.000 2.413 517 D HA 0.305 4.944 4.640 -0.001 0.000 0.237 517 D C 1.459 177.690 176.300 -0.115 0.000 1.171 517 D CA 0.539 54.471 54.000 -0.114 0.000 0.839 517 D CB -1.336 39.409 40.800 -0.091 0.000 0.950 517 D HN 0.932 nan 8.370 nan 0.000 0.499 518 C N -0.910 118.298 119.300 -0.154 0.000 2.633 518 C HA 0.620 5.080 4.460 -0.001 0.000 0.345 518 C C 1.819 176.739 174.990 -0.117 0.000 1.384 518 C CA 0.050 58.984 59.018 -0.139 0.000 2.418 518 C CB 0.564 28.182 27.740 -0.204 0.000 2.425 518 C HN 0.428 nan 8.230 nan 0.000 0.705 519 T N -3.553 110.940 114.554 -0.102 0.000 3.092 519 T HA 0.141 4.490 4.350 -0.001 0.000 0.258 519 T C 0.724 175.320 174.700 -0.173 0.000 1.031 519 T CA 0.590 62.617 62.100 -0.122 0.000 0.925 519 T CB -0.842 67.967 68.868 -0.098 0.000 1.036 519 T HN 1.037 nan 8.240 nan 0.000 0.544 520 T N -0.498 113.962 114.554 -0.156 0.000 3.248 520 T HA 0.316 4.665 4.350 -0.001 0.000 0.271 520 T C 0.050 174.578 174.700 -0.287 0.000 1.005 520 T CA -0.764 61.220 62.100 -0.193 0.000 0.902 520 T CB -0.410 68.454 68.868 -0.007 0.000 1.102 520 T HN 0.107 nan 8.240 nan 0.000 0.548 521 N N 3.170 121.690 118.700 -0.301 0.000 2.442 521 N HA 0.092 4.832 4.740 -0.001 0.000 0.265 521 N C -0.616 174.637 175.510 -0.428 0.000 1.138 521 N CA 0.060 52.914 53.050 -0.327 0.000 0.956 521 N CB 0.339 38.650 38.487 -0.293 0.000 1.067 521 N HN 0.471 nan 8.380 nan 0.000 0.474 522 H N 2.742 121.730 119.070 -0.136 0.000 2.661 522 H HA 0.160 4.715 4.556 -0.001 0.000 0.290 522 H C -0.023 175.279 175.328 -0.043 0.000 1.082 522 H CA -0.333 55.692 56.048 -0.038 0.000 1.234 522 H CB 0.175 29.906 29.762 -0.051 0.000 1.387 522 H HN 0.436 nan 8.280 nan 0.000 0.476 523 F N 3.357 123.349 119.950 0.070 0.000 2.833 523 F HA 0.046 4.572 4.527 -0.001 0.000 0.327 523 F C 0.264 176.145 175.800 0.135 0.000 1.184 523 F CA -0.245 57.813 58.000 0.098 0.000 1.328 523 F CB -0.120 38.950 39.000 0.117 0.000 1.440 523 F HN 0.562 nan 8.300 nan 0.000 0.569 524 D N -0.427 120.104 120.400 0.218 0.000 2.851 524 D HA 0.766 5.405 4.640 -0.001 0.000 0.339 524 D C -1.226 175.059 176.300 -0.024 0.000 1.347 524 D CA -0.947 53.130 54.000 0.129 0.000 0.888 524 D CB 1.142 42.039 40.800 0.161 0.000 1.431 524 D HN 0.028 nan 8.370 nan 0.000 0.509 525 A N -1.017 121.711 122.820 -0.153 0.000 2.599 525 A HA 0.743 5.063 4.320 -0.001 0.000 0.290 525 A C -1.650 175.729 177.584 -0.341 0.000 1.101 525 A CA -0.723 51.082 52.037 -0.386 0.000 0.674 525 A CB 1.684 20.144 19.000 -0.900 0.000 1.277 525 A HN 0.496 nan 8.150 nan 0.000 0.419 526 Q N -0.064 119.549 119.800 -0.312 0.000 2.501 526 Q HA 0.554 4.893 4.340 -0.001 0.000 0.288 526 Q C -1.362 174.619 176.000 -0.032 0.000 1.051 526 Q CA -0.927 54.837 55.803 -0.066 0.000 0.788 526 Q CB 2.257 31.127 28.738 0.220 0.000 1.469 526 Q HN 0.616 nan 8.270 nan 0.000 0.416 527 I N 1.449 122.052 120.570 0.054 0.000 2.392 527 I HA 0.356 4.525 4.170 -0.001 0.000 0.295 527 I C -0.630 175.482 176.117 -0.009 0.000 0.985 527 I CA -0.344 60.978 61.300 0.037 0.000 1.221 527 I CB 0.649 38.677 38.000 0.046 0.000 1.366 527 I HN 0.553 nan 8.210 nan 0.000 0.467 528 F N 4.696 124.377 119.950 -0.448 0.000 2.444 528 F HA 0.451 4.978 4.527 0.000 0.000 0.342 528 F C -0.061 175.405 175.800 -0.556 0.000 1.121 528 F CA -0.248 57.229 58.000 -0.871 0.000 0.997 528 F CB 1.394 39.506 39.000 -1.481 0.000 1.130 528 F HN 0.349 nan 8.300 nan 0.000 0.454 529 T N 8.100 122.048 114.554 -1.011 0.000 2.753 529 T HA 0.365 4.714 4.350 -0.001 0.000 0.297 529 T C -2.590 171.480 174.700 -1.051 0.000 0.981 529 T CA -1.276 60.400 62.100 -0.706 0.000 0.956 529 T CB 1.159 69.827 68.868 -0.334 0.000 0.936 529 T HN 0.322 nan 8.240 nan 0.000 0.463 530 P HA 0.155 nan 4.420 nan 0.000 0.274 530 P C 1.077 178.014 177.300 -0.605 0.000 1.237 530 P CA -0.589 62.005 63.100 -0.843 0.000 0.793 530 P CB 0.615 31.643 31.700 -1.120 0.000 0.977 531 N N 1.192 119.680 118.700 -0.354 0.000 2.192 531 N HA -0.223 4.516 4.740 -0.001 0.000 0.188 531 N C 1.417 176.899 175.510 -0.048 0.000 1.013 531 N CA 1.280 54.273 53.050 -0.096 0.000 0.863 531 N CB -0.216 38.224 38.487 -0.078 0.000 0.990 531 N HN 0.472 nan 8.380 nan 0.000 0.430 532 Y N 0.070 120.347 120.300 -0.038 0.000 2.556 532 Y HA 0.023 4.572 4.550 -0.001 0.000 0.290 532 Y C 1.702 177.538 175.900 -0.106 0.000 1.149 532 Y CA 0.365 58.422 58.100 -0.070 0.000 1.329 532 Y CB -0.823 37.580 38.460 -0.096 0.000 0.975 532 Y HN 0.046 nan 8.280 nan 0.000 0.561 533 L N -0.955 120.278 121.223 0.017 0.000 2.592 533 L HA 0.128 4.467 4.340 -0.001 0.000 0.227 533 L C -0.456 176.179 176.870 -0.393 0.000 1.127 533 L CA -0.079 54.663 54.840 -0.164 0.000 0.884 533 L CB -0.213 41.645 42.059 -0.335 0.000 1.065 533 L HN 0.117 nan 8.230 nan 0.000 0.457 534 Y N 0.081 120.344 120.300 -0.062 0.000 2.409 534 Y HA 0.239 4.789 4.550 -0.001 0.000 0.339 534 Y C 0.428 176.309 175.900 -0.033 0.000 1.033 534 Y CA -1.873 56.192 58.100 -0.059 0.000 1.094 534 Y CB 0.998 39.404 38.460 -0.090 0.000 1.210 534 Y HN 0.054 nan 8.280 nan 0.000 0.456 535 D N -0.947 119.531 120.400 0.130 0.000 2.447 535 D HA 0.075 4.715 4.640 -0.001 0.000 0.265 535 D C 0.993 177.334 176.300 0.069 0.000 1.250 535 D CA -0.215 53.829 54.000 0.073 0.000 1.046 535 D CB 0.334 41.162 40.800 0.046 0.000 1.095 535 D HN 0.390 nan 8.370 nan 0.000 0.555 536 S N -1.684 114.039 115.700 0.037 0.000 2.607 536 S HA -0.065 4.404 4.470 -0.001 0.000 0.224 536 S C 0.638 175.247 174.600 0.014 0.000 0.969 536 S CA 0.152 58.364 58.200 0.020 0.000 0.927 536 S CB -0.993 62.214 63.200 0.011 0.000 0.772 536 S HN 0.521 nan 8.310 nan 0.000 0.533 537 N N 0.970 119.684 118.700 0.023 0.000 2.336 537 N HA 0.332 5.072 4.740 -0.001 0.000 0.189 537 N C 1.015 176.533 175.510 0.014 0.000 1.113 537 N CA 0.216 53.276 53.050 0.016 0.000 0.858 537 N CB 0.250 38.749 38.487 0.020 0.000 0.970 537 N HN 0.554 nan 8.380 nan 0.000 0.471 538 G N 0.588 109.405 108.800 0.027 0.000 2.148 538 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.254 538 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.254 538 G C -0.268 174.709 174.900 0.127 0.000 0.981 538 G CA -0.258 44.835 45.100 -0.011 0.000 0.670 538 G HN 0.298 nan 8.290 nan 0.000 0.528 539 N N -0.255 118.538 118.700 0.156 0.000 2.476 539 N HA 0.484 5.223 4.740 -0.001 0.000 0.275 539 N C 0.593 176.213 175.510 0.183 0.000 1.190 539 N CA -0.606 52.553 53.050 0.181 0.000 0.977 539 N CB 0.876 39.414 38.487 0.084 0.000 1.200 539 N HN 0.180 nan 8.380 nan 0.000 0.515 540 L N 1.455 122.711 121.223 0.055 0.000 2.534 540 L HA 0.092 4.432 4.340 -0.001 0.000 0.271 540 L C 0.979 177.803 176.870 -0.076 0.000 1.178 540 L CA -0.300 54.454 54.840 -0.143 0.000 0.907 540 L CB 0.190 42.156 42.059 -0.155 0.000 1.164 540 L HN 0.543 nan 8.230 nan 0.000 0.482 541 A N 3.586 126.348 122.820 -0.095 0.000 2.425 541 A HA 0.312 4.631 4.320 -0.001 0.000 0.242 541 A C 0.379 177.940 177.584 -0.038 0.000 1.077 541 A CA -0.288 51.725 52.037 -0.039 0.000 0.781 541 A CB 0.162 19.149 19.000 -0.022 0.000 1.020 541 A HN 0.679 nan 8.150 nan 0.000 0.494 542 T N 2.433 116.976 114.554 -0.018 0.000 2.884 542 T HA 0.340 4.690 4.350 -0.001 0.000 0.298 542 T C 0.293 174.986 174.700 -0.012 0.000 0.998 542 T CA 0.232 62.324 62.100 -0.013 0.000 1.124 542 T CB 0.109 68.974 68.868 -0.004 0.000 0.931 542 T HN 0.586 nan 8.240 nan 0.000 0.531 543 R N 3.718 124.212 120.500 -0.010 0.000 2.460 543 R HA 0.401 4.741 4.340 -0.001 0.000 0.303 543 R C -2.347 173.954 176.300 0.001 0.000 0.968 543 R CA -2.054 54.042 56.100 -0.006 0.000 0.889 543 R CB 0.818 31.118 30.300 -0.000 0.000 1.123 543 R HN 0.445 nan 8.270 nan 0.000 0.455 544 P HA 0.021 nan 4.420 nan 0.000 0.269 544 P C -1.037 176.272 177.300 0.015 0.000 1.217 544 P CA -0.022 63.083 63.100 0.008 0.000 0.783 544 P CB 0.790 32.490 31.700 -0.001 0.000 0.898 545 K N 1.209 121.622 120.400 0.022 0.000 2.316 545 K HA 0.542 4.861 4.320 -0.001 0.000 0.251 545 K C -0.266 176.354 176.600 0.034 0.000 0.934 545 K CA -0.871 55.430 56.287 0.023 0.000 0.802 545 K CB 1.820 34.331 32.500 0.019 0.000 1.171 545 K HN 0.368 nan 8.250 nan 0.000 0.426 546 I N 2.854 123.442 120.570 0.030 0.000 2.301 546 I HA 0.010 4.180 4.170 -0.001 0.000 0.292 546 I C 1.298 177.437 176.117 0.036 0.000 1.046 546 I CA -0.086 61.240 61.300 0.043 0.000 1.282 546 I CB 0.980 39.002 38.000 0.037 0.000 1.409 546 I HN 0.830 nan 8.210 nan 0.000 0.484 547 T N 2.747 117.326 114.554 0.042 0.000 3.051 547 T HA 0.167 4.517 4.350 -0.001 0.000 0.255 547 T C 0.828 175.543 174.700 0.026 0.000 1.085 547 T CA 0.085 62.202 62.100 0.029 0.000 1.109 547 T CB 0.347 69.231 68.868 0.028 0.000 0.921 547 T HN 0.518 nan 8.240 nan 0.000 0.488 548 R N 1.056 121.577 120.500 0.035 0.000 2.668 548 R HA 0.502 4.841 4.340 -0.001 0.000 0.272 548 R C -1.513 174.810 176.300 0.038 0.000 1.019 548 R CA -0.390 55.727 56.100 0.028 0.000 0.894 548 R CB 2.091 32.403 30.300 0.020 0.000 1.228 548 R HN 0.348 nan 8.270 nan 0.000 0.460 549 T N -1.109 113.462 114.554 0.029 0.000 2.907 549 T HA 0.234 4.584 4.350 -0.001 0.000 0.292 549 T C 0.914 175.616 174.700 0.003 0.000 1.043 549 T CA -0.365 61.752 62.100 0.028 0.000 1.003 549 T CB 1.766 70.660 68.868 0.044 0.000 1.084 549 T HN 0.565 nan 8.240 nan 0.000 0.483 550 S N 0.674 116.362 115.700 -0.020 0.000 2.461 550 S HA 0.227 4.697 4.470 -0.001 0.000 0.228 550 S C 0.888 175.470 174.600 -0.030 0.000 1.005 550 S CA 0.611 58.791 58.200 -0.033 0.000 0.942 550 S CB -0.317 62.846 63.200 -0.061 0.000 0.776 550 S HN 1.128 nan 8.310 nan 0.000 0.514 551 T N 0.678 115.217 114.554 -0.026 0.000 2.802 551 T HA 0.394 4.743 4.350 -0.001 0.000 0.311 551 T C -1.369 173.336 174.700 0.010 0.000 1.405 551 T CA -0.627 61.464 62.100 -0.014 0.000 1.016 551 T CB 1.787 70.637 68.868 -0.030 0.000 1.352 551 T HN 0.253 nan 8.240 nan 0.000 0.498 552 Q N 1.191 121.006 119.800 0.024 0.000 2.112 552 Q HA 0.387 4.727 4.340 -0.001 0.000 0.222 552 Q C -0.314 175.723 176.000 0.061 0.000 0.798 552 Q CA -0.537 55.297 55.803 0.053 0.000 1.060 552 Q CB 0.741 29.518 28.738 0.065 0.000 1.184 552 Q HN 0.297 nan 8.270 nan 0.000 0.475 553 S N 0.516 116.235 115.700 0.031 0.000 2.677 553 S HA 0.615 5.085 4.470 -0.001 0.000 0.283 553 S C -1.644 172.952 174.600 -0.006 0.000 1.159 553 S CA -0.511 57.701 58.200 0.020 0.000 1.001 553 S CB 1.892 65.100 63.200 0.013 0.000 1.032 553 S HN 0.257 nan 8.310 nan 0.000 0.487 554 V N 4.757 124.662 119.914 -0.015 0.000 3.007 554 V HA 0.667 4.786 4.120 -0.001 0.000 0.311 554 V C -0.945 175.123 176.094 -0.043 0.000 1.120 554 V CA -0.792 61.486 62.300 -0.037 0.000 0.980 554 V CB 2.230 34.024 31.823 -0.049 0.000 1.033 554 V HN 0.888 nan 8.190 nan 0.000 0.429 555 K N 2.330 122.702 120.400 -0.047 0.000 2.110 555 K HA 0.661 4.981 4.320 -0.001 0.000 0.263 555 K C -0.476 176.090 176.600 -0.057 0.000 0.975 555 K CA -0.584 55.675 56.287 -0.045 0.000 0.895 555 K CB 1.812 34.288 32.500 -0.040 0.000 1.060 555 K HN 0.784 nan 8.250 nan 0.000 0.448 556 V N 0.775 120.655 119.914 -0.056 0.000 2.788 556 V HA 0.240 4.359 4.120 -0.001 0.000 0.307 556 V C 1.010 177.069 176.094 -0.058 0.000 1.069 556 V CA 0.739 62.998 62.300 -0.068 0.000 1.173 556 V CB 0.124 31.911 31.823 -0.060 0.000 0.925 556 V HN 1.088 nan 8.190 nan 0.000 0.492 557 G N 2.385 111.151 108.800 -0.058 0.000 2.268 557 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.240 557 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.240 557 G C 0.701 175.571 174.900 -0.050 0.000 1.010 557 G CA 0.122 45.194 45.100 -0.047 0.000 0.618 557 G HN 1.866 nan 8.290 nan 0.000 0.516 558 G N 0.128 108.892 108.800 -0.060 0.000 2.507 558 G HA2 0.561 4.520 3.960 -0.001 0.000 0.271 558 G HA3 0.561 4.520 3.960 -0.001 0.000 0.271 558 G C 0.163 175.001 174.900 -0.103 0.000 1.189 558 G CA -0.464 44.592 45.100 -0.073 0.000 0.859 558 G HN 0.496 nan 8.290 nan 0.000 0.542 559 R N -0.129 120.292 120.500 -0.132 0.000 2.500 559 R HA 0.479 4.819 4.340 -0.001 0.000 0.277 559 R C -0.455 175.655 176.300 -0.317 0.000 1.026 559 R CA -0.471 55.498 56.100 -0.219 0.000 1.058 559 R CB 1.558 31.753 30.300 -0.174 0.000 1.078 559 R HN 0.353 nan 8.270 nan 0.000 0.509 560 I N 0.795 120.998 120.570 -0.613 0.000 2.569 560 I HA 0.265 4.434 4.170 -0.001 0.000 0.296 560 I C -0.204 175.575 176.117 -0.563 0.000 1.028 560 I CA -0.695 60.259 61.300 -0.577 0.000 1.082 560 I CB 2.538 40.168 38.000 -0.616 0.000 1.264 560 I HN 0.430 nan 8.210 nan 0.000 0.429 561 T N 6.496 120.892 114.554 -0.263 0.000 2.797 561 T HA 0.630 4.980 4.350 -0.001 0.000 0.279 561 T C -0.279 174.400 174.700 -0.034 0.000 0.991 561 T CA -0.405 61.617 62.100 -0.128 0.000 0.979 561 T CB 1.282 70.099 68.868 -0.085 0.000 0.943 561 T HN 0.484 nan 8.240 nan 0.000 0.444 562 I N -0.649 119.960 120.570 0.065 0.000 2.846 562 I HA 0.858 5.027 4.170 -0.001 0.000 0.307 562 I C -0.566 175.627 176.117 0.126 0.000 1.053 562 I CA -0.808 60.561 61.300 0.116 0.000 1.050 562 I CB 2.407 40.526 38.000 0.197 0.000 1.239 562 I HN 0.371 nan 8.210 nan 0.000 0.439 563 S N 1.622 117.382 115.700 0.100 0.000 2.532 563 S HA 0.767 5.237 4.470 -0.001 0.000 0.301 563 S C -0.246 174.427 174.600 0.122 0.000 1.083 563 S CA -0.506 57.749 58.200 0.093 0.000 1.025 563 S CB 1.963 65.188 63.200 0.041 0.000 1.056 563 S HN 0.887 nan 8.310 nan 0.000 0.494 564 T N -1.512 113.130 114.554 0.146 0.000 2.887 564 T HA 0.469 4.818 4.350 -0.001 0.000 0.292 564 T C -0.307 174.446 174.700 0.089 0.000 1.087 564 T CA -0.847 61.327 62.100 0.124 0.000 1.009 564 T CB 1.244 70.209 68.868 0.162 0.000 1.203 564 T HN 0.490 nan 8.240 nan 0.000 0.518 565 D N -0.319 120.120 120.400 0.064 0.000 2.328 565 D HA 0.234 4.873 4.640 -0.001 0.000 0.221 565 D C 0.387 176.717 176.300 0.050 0.000 1.072 565 D CA -0.242 53.785 54.000 0.046 0.000 0.850 565 D CB -0.388 40.430 40.800 0.031 0.000 0.922 565 D HN 0.760 nan 8.370 nan 0.000 0.516 566 S N -2.381 113.363 115.700 0.073 0.000 2.633 566 S HA 0.354 4.824 4.470 -0.001 0.000 0.271 566 S C -0.779 173.887 174.600 0.110 0.000 1.112 566 S CA -1.028 57.215 58.200 0.070 0.000 0.828 566 S CB 0.697 63.923 63.200 0.043 0.000 1.086 566 S HN -0.059 nan 8.310 nan 0.000 0.461 567 S N 0.917 116.681 115.700 0.107 0.000 2.562 567 S HA 0.513 4.982 4.470 -0.001 0.000 0.281 567 S C 0.309 174.946 174.600 0.062 0.000 1.333 567 S CA -0.298 57.996 58.200 0.157 0.000 1.052 567 S CB -0.557 62.718 63.200 0.126 0.000 0.884 567 S HN 0.853 nan 8.310 nan 0.000 0.506 568 I N -0.718 119.835 120.570 -0.029 0.000 2.569 568 I HA 0.574 4.743 4.170 -0.001 0.000 0.296 568 I C 0.507 176.508 176.117 -0.194 0.000 1.028 568 I CA -0.507 60.680 61.300 -0.189 0.000 1.082 568 I CB 2.148 39.953 38.000 -0.324 0.000 1.264 568 I HN 0.406 nan 8.210 nan 0.000 0.429 569 S N 2.658 118.279 115.700 -0.132 0.000 2.441 569 S HA 0.249 4.719 4.470 -0.001 0.000 0.224 569 S C 0.406 174.934 174.600 -0.120 0.000 1.043 569 S CA 0.453 58.595 58.200 -0.097 0.000 0.948 569 S CB -0.078 63.086 63.200 -0.060 0.000 0.810 569 S HN 0.651 nan 8.310 nan 0.000 0.504 570 K N -0.125 120.191 120.400 -0.139 0.000 2.480 570 K HA 0.805 5.125 4.320 -0.001 0.000 0.258 570 K C -1.411 175.095 176.600 -0.156 0.000 0.990 570 K CA -0.647 55.562 56.287 -0.131 0.000 0.857 570 K CB 2.300 34.738 32.500 -0.103 0.000 1.384 570 K HN 0.159 nan 8.250 nan 0.000 0.446 571 A N 0.509 123.237 122.820 -0.154 0.000 2.539 571 A HA 0.790 5.110 4.320 -0.001 0.000 0.296 571 A C -1.309 176.185 177.584 -0.150 0.000 1.073 571 A CA -0.629 51.306 52.037 -0.169 0.000 0.700 571 A CB 1.629 20.470 19.000 -0.264 0.000 1.296 571 A HN 0.673 nan 8.150 nan 0.000 0.405 572 S N 0.487 116.133 115.700 -0.089 0.000 2.607 572 S HA 0.803 5.272 4.470 -0.001 0.000 0.273 572 S C -1.218 173.398 174.600 0.026 0.000 1.148 572 S CA -0.718 57.453 58.200 -0.049 0.000 0.833 572 S CB 1.025 64.235 63.200 0.018 0.000 1.130 572 S HN 0.772 nan 8.310 nan 0.000 0.470 573 L N 1.453 122.721 121.223 0.074 0.000 2.317 573 L HA 0.634 4.974 4.340 -0.001 0.000 0.281 573 L C -0.951 176.213 176.870 0.490 0.000 1.024 573 L CA -0.843 54.147 54.840 0.250 0.000 0.810 573 L CB 1.409 43.555 42.059 0.145 0.000 1.240 573 L HN 0.650 nan 8.230 nan 0.000 0.427 574 I N 3.333 124.202 120.570 0.498 0.000 2.478 574 I HA 0.350 4.519 4.170 -0.001 0.000 0.287 574 I C -0.122 176.026 176.117 0.052 0.000 1.042 574 I CA -0.591 60.893 61.300 0.307 0.000 1.067 574 I CB 2.122 40.270 38.000 0.247 0.000 1.233 574 I HN 0.575 nan 8.210 nan 0.000 0.431 575 R N 5.037 125.275 120.500 -0.436 0.000 2.491 575 R HA 0.259 4.599 4.340 -0.001 0.000 0.283 575 R C -0.871 175.251 176.300 -0.296 0.000 1.072 575 R CA -0.144 55.413 56.100 -0.905 0.000 1.048 575 R CB 0.576 29.951 30.300 -1.540 0.000 0.983 575 R HN 0.395 nan 8.270 nan 0.000 0.450 576 Y N 1.094 121.274 120.300 -0.201 0.000 2.652 576 Y HA 0.103 4.653 4.550 -0.001 0.000 0.344 576 Y C 1.305 177.183 175.900 -0.037 0.000 1.254 576 Y CA 1.215 59.290 58.100 -0.042 0.000 1.480 576 Y CB 0.739 39.211 38.460 0.020 0.000 1.345 576 Y HN 0.707 nan 8.280 nan 0.000 0.617 577 G N 0.378 109.274 108.800 0.160 0.000 2.471 577 G HA2 0.626 4.585 3.960 -0.001 0.000 0.332 577 G HA3 0.626 4.585 3.960 -0.001 0.000 0.332 577 G C -0.993 173.970 174.900 0.105 0.000 1.176 577 G CA -0.551 44.606 45.100 0.095 0.000 0.949 577 G HN 0.649 nan 8.290 nan 0.000 0.488 578 T N -3.091 111.506 114.554 0.071 0.000 2.864 578 T HA 0.814 5.164 4.350 -0.001 0.000 0.299 578 T C -0.721 173.983 174.700 0.007 0.000 1.166 578 T CA -0.422 61.714 62.100 0.059 0.000 1.007 578 T CB 2.034 70.964 68.868 0.104 0.000 1.219 578 T HN 1.914 nan 8.240 nan 0.000 0.506 579 A N 0.797 123.586 122.820 -0.051 0.000 2.491 579 A HA 0.797 5.117 4.320 -0.001 0.000 0.293 579 A C -0.462 177.010 177.584 -0.186 0.000 1.047 579 A CA -0.602 51.377 52.037 -0.097 0.000 0.735 579 A CB 1.560 20.522 19.000 -0.063 0.000 1.281 579 A HN 1.286 nan 8.150 nan 0.000 0.398 580 T N 0.767 115.215 114.554 -0.176 0.000 3.225 580 T HA 0.512 4.861 4.350 -0.001 0.000 0.356 580 T C -0.477 174.113 174.700 -0.182 0.000 1.460 580 T CA 0.029 62.004 62.100 -0.208 0.000 1.126 580 T CB 0.393 69.147 68.868 -0.191 0.000 1.321 580 T HN 1.595 nan 8.240 nan 0.000 0.478 581 H N 2.048 120.838 119.070 -0.467 0.000 2.862 581 H HA -0.220 4.336 4.556 -0.001 0.000 0.290 581 H C 1.259 176.242 175.328 -0.576 0.000 1.211 581 H CA 2.654 58.331 56.048 -0.619 0.000 1.140 581 H CB -1.892 27.324 29.762 -0.910 0.000 1.341 581 H HN 1.404 nan 8.280 nan 0.000 0.392 582 T N -6.317 108.045 114.554 -0.321 0.000 6.424 582 T HA -0.248 4.101 4.350 -0.001 0.000 0.279 582 T C 0.252 174.791 174.700 -0.268 0.000 2.176 582 T CA 0.736 62.654 62.100 -0.303 0.000 3.628 582 T CB -2.035 66.628 68.868 -0.342 0.000 1.165 582 T HN 0.454 nan 8.240 nan 0.000 1.080 583 V N 2.654 122.433 119.914 -0.226 0.000 2.407 583 V HA 0.751 4.870 4.120 -0.001 0.000 0.278 583 V C 0.202 176.222 176.094 -0.123 0.000 1.037 583 V CA -0.288 61.917 62.300 -0.158 0.000 0.900 583 V CB 1.551 33.317 31.823 -0.094 0.000 0.983 583 V HN 0.636 nan 8.190 nan 0.000 0.459 584 N N 2.816 121.443 118.700 -0.121 0.000 2.594 584 N HA 0.155 4.894 4.740 -0.001 0.000 0.280 584 N C 0.372 175.825 175.510 -0.096 0.000 1.156 584 N CA 0.066 53.073 53.050 -0.071 0.000 0.831 584 N CB 2.099 40.566 38.487 -0.035 0.000 1.379 584 N HN 0.696 nan 8.380 nan 0.000 0.536 585 T N -1.370 113.129 114.554 -0.092 0.000 3.086 585 T HA 0.188 4.537 4.350 -0.001 0.000 0.250 585 T C 0.531 175.218 174.700 -0.023 0.000 1.074 585 T CA 0.264 62.273 62.100 -0.152 0.000 0.988 585 T CB 0.367 69.162 68.868 -0.121 0.000 0.988 585 T HN 0.203 nan 8.240 nan 0.000 0.530 586 D N 1.819 122.227 120.400 0.014 0.000 2.262 586 D HA 0.025 4.665 4.640 -0.001 0.000 0.212 586 D C 1.248 177.544 176.300 -0.006 0.000 0.964 586 D CA 0.408 54.426 54.000 0.029 0.000 0.875 586 D CB 0.122 40.953 40.800 0.051 0.000 0.996 586 D HN 0.730 nan 8.370 nan 0.000 0.497 587 Q N 1.442 121.253 119.800 0.018 0.000 2.354 587 Q HA 0.356 4.695 4.340 -0.001 0.000 0.244 587 Q C -0.045 175.985 176.000 0.050 0.000 0.969 587 Q CA -0.324 55.478 55.803 -0.002 0.000 0.885 587 Q CB 1.211 29.978 28.738 0.048 0.000 1.241 587 Q HN 0.038 nan 8.270 nan 0.000 0.461 588 R N -0.132 120.368 120.500 0.000 0.000 2.765 588 R HA 0.470 4.809 4.340 -0.001 0.000 0.277 588 R C -1.870 174.518 176.300 0.146 0.000 1.028 588 R CA -1.100 55.069 56.100 0.115 0.000 0.860 588 R CB 1.163 31.576 30.300 0.188 0.000 1.270 588 R HN 0.817 nan 8.270 nan 0.000 0.484 589 R N 1.874 122.517 120.500 0.238 0.000 2.599 589 R HA 0.593 4.932 4.340 -0.001 0.000 0.295 589 R C -1.236 175.251 176.300 0.312 0.000 0.963 589 R CA -0.699 55.575 56.100 0.290 0.000 0.883 589 R CB 1.682 32.108 30.300 0.208 0.000 1.171 589 R HN 0.683 nan 8.270 nan 0.000 0.450 590 I N 6.171 126.939 120.570 0.330 0.000 2.382 590 I HA 0.380 4.550 4.170 -0.001 0.000 0.286 590 I C -2.090 174.069 176.117 0.071 0.000 1.002 590 I CA -2.508 58.893 61.300 0.168 0.000 1.135 590 I CB 2.250 40.289 38.000 0.065 0.000 1.288 590 I HN 0.487 nan 8.210 nan 0.000 0.448 591 P HA 0.274 nan 4.420 nan 0.000 0.279 591 P C -1.037 176.236 177.300 -0.045 0.000 1.239 591 P CA -0.250 62.850 63.100 0.001 0.000 0.789 591 P CB 1.171 32.885 31.700 0.023 0.000 0.933 592 L N 2.059 123.218 121.223 -0.106 0.000 2.317 592 L HA 0.444 4.784 4.340 -0.001 0.000 0.281 592 L C 1.019 177.852 176.870 -0.062 0.000 1.024 592 L CA -0.570 54.181 54.840 -0.147 0.000 0.810 592 L CB 1.882 43.690 42.059 -0.417 0.000 1.240 592 L HN 0.348 nan 8.230 nan 0.000 0.427 593 T N 3.686 118.245 114.554 0.009 0.000 2.743 593 T HA 0.538 4.888 4.350 -0.001 0.000 0.292 593 T C -0.418 174.339 174.700 0.094 0.000 0.972 593 T CA -0.539 61.583 62.100 0.037 0.000 0.967 593 T CB 0.121 69.012 68.868 0.038 0.000 0.926 593 T HN 0.336 nan 8.240 nan 0.000 0.459 594 L N 4.465 125.742 121.223 0.091 0.000 2.326 594 L HA 0.393 4.733 4.340 -0.001 0.000 0.278 594 L C 0.782 177.758 176.870 0.176 0.000 1.092 594 L CA -0.716 54.224 54.840 0.168 0.000 0.810 594 L CB 1.349 43.476 42.059 0.114 0.000 1.153 594 L HN 0.658 nan 8.230 nan 0.000 0.439 595 T N 2.055 116.725 114.554 0.194 0.000 2.743 595 T HA 0.120 4.469 4.350 -0.001 0.000 0.293 595 T C 0.152 174.960 174.700 0.180 0.000 0.945 595 T CA -0.414 61.770 62.100 0.141 0.000 1.030 595 T CB 0.478 69.394 68.868 0.080 0.000 0.912 595 T HN 0.360 nan 8.240 nan 0.000 0.483 596 N N 2.907 121.695 118.700 0.146 0.000 2.402 596 N HA 0.107 4.847 4.740 -0.001 0.000 0.252 596 N C 0.570 176.023 175.510 -0.096 0.000 1.118 596 N CA -0.108 52.957 53.050 0.026 0.000 0.945 596 N CB 0.123 38.662 38.487 0.087 0.000 1.147 596 N HN 0.530 nan 8.380 nan 0.000 0.495 597 N N 1.926 120.506 118.700 -0.200 0.000 2.467 597 N HA 0.130 4.870 4.740 -0.001 0.000 0.184 597 N C 0.400 175.818 175.510 -0.153 0.000 1.106 597 N CA 0.220 53.184 53.050 -0.143 0.000 0.892 597 N CB 0.158 38.562 38.487 -0.138 0.000 0.969 597 N HN 0.698 nan 8.380 nan 0.000 0.454 598 G N -0.503 108.169 108.800 -0.213 0.000 2.692 598 G HA2 0.126 4.086 3.960 -0.001 0.000 0.686 598 G HA3 0.126 4.086 3.960 -0.001 0.000 0.686 598 G C 0.452 175.246 174.900 -0.177 0.000 1.243 598 G CA -0.600 44.404 45.100 -0.159 0.000 0.782 598 G HN 0.476 nan 8.290 nan 0.000 0.625 599 G N 0.030 108.757 108.800 -0.122 0.000 2.198 599 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.260 599 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.260 599 G C 0.617 175.451 174.900 -0.111 0.000 1.025 599 G CA 1.104 46.150 45.100 -0.090 0.000 0.769 599 G HN 2.386 nan 8.290 nan 0.000 0.507 600 N N -1.706 116.891 118.700 -0.171 0.000 2.754 600 N HA -0.201 4.538 4.740 -0.001 0.000 0.248 600 N C 0.154 175.542 175.510 -0.204 0.000 1.093 600 N CA 0.824 53.799 53.050 -0.126 0.000 0.699 600 N CB -0.896 37.622 38.487 0.051 0.000 1.016 600 N HN 0.906 nan 8.380 nan 0.000 0.552 601 S N 0.143 115.577 115.700 -0.443 0.000 2.473 601 S HA 0.693 5.163 4.470 -0.001 0.000 0.307 601 S C -1.069 173.178 174.600 -0.588 0.000 1.094 601 S CA -0.486 57.522 58.200 -0.321 0.000 1.070 601 S CB 0.839 63.926 63.200 -0.188 0.000 1.019 601 S HN 0.261 nan 8.310 nan 0.000 0.480 602 Y N 1.336 121.659 120.300 0.038 0.000 2.553 602 Y HA 0.628 5.178 4.550 -0.001 0.000 0.347 602 Y C 0.411 176.341 175.900 0.050 0.000 1.019 602 Y CA -0.831 57.306 58.100 0.062 0.000 1.032 602 Y CB 2.288 40.812 38.460 0.107 0.000 1.284 602 Y HN 0.569 nan 8.280 nan 0.000 0.466 603 S N 1.753 117.575 115.700 0.204 0.000 2.599 603 S HA 0.844 5.314 4.470 -0.001 0.000 0.294 603 S C -1.499 173.211 174.600 0.183 0.000 1.094 603 S CA -0.760 57.465 58.200 0.043 0.000 0.931 603 S CB 1.434 64.621 63.200 -0.021 0.000 1.093 603 S HN 0.514 nan 8.310 nan 0.000 0.488 604 F N -0.532 119.438 119.950 0.033 0.000 2.686 604 F HA 0.616 5.142 4.527 -0.001 0.000 0.311 604 F C -0.869 174.924 175.800 -0.012 0.000 1.128 604 F CA -1.110 56.897 58.000 0.011 0.000 0.946 604 F CB 1.266 40.269 39.000 0.005 0.000 1.336 604 F HN 0.445 nan 8.300 nan 0.000 0.457 605 Q N 1.894 121.804 119.800 0.183 0.000 2.257 605 Q HA 0.574 4.913 4.340 -0.001 0.000 0.255 605 Q C -1.202 174.898 176.000 0.168 0.000 0.920 605 Q CA -0.911 54.940 55.803 0.080 0.000 0.927 605 Q CB 2.037 30.796 28.738 0.036 0.000 1.229 605 Q HN 0.752 nan 8.270 nan 0.000 0.433 606 V N 6.654 126.619 119.914 0.084 0.000 2.572 606 V HA 0.136 4.255 4.120 -0.001 0.000 0.291 606 V C -2.054 174.015 176.094 -0.041 0.000 1.039 606 V CA -1.213 61.091 62.300 0.008 0.000 1.055 606 V CB 0.708 32.491 31.823 -0.067 0.000 0.969 606 V HN 0.808 nan 8.190 nan 0.000 0.482 607 P HA 0.007 nan 4.420 nan 0.000 0.265 607 P C 0.720 177.978 177.300 -0.069 0.000 1.187 607 P CA 0.331 63.396 63.100 -0.058 0.000 0.766 607 P CB 0.496 32.157 31.700 -0.064 0.000 0.820 608 S N 0.362 116.027 115.700 -0.058 0.000 2.496 608 S HA -0.034 4.436 4.470 -0.001 0.000 0.224 608 S C 0.707 175.265 174.600 -0.070 0.000 0.996 608 S CA 0.301 58.466 58.200 -0.058 0.000 0.927 608 S CB -0.336 62.836 63.200 -0.047 0.000 0.774 608 S HN 0.408 nan 8.310 nan 0.000 0.524 609 D N 2.675 123.021 120.400 -0.090 0.000 2.316 609 D HA 0.231 4.871 4.640 -0.001 0.000 0.245 609 D C 0.934 177.168 176.300 -0.110 0.000 1.171 609 D CA 0.050 53.979 54.000 -0.120 0.000 0.856 609 D CB 1.554 42.247 40.800 -0.179 0.000 1.090 609 D HN 0.297 nan 8.370 nan 0.000 0.476 610 S N 1.769 117.423 115.700 -0.075 0.000 2.603 610 S HA 0.051 4.520 4.470 -0.001 0.000 0.220 610 S C 1.726 176.324 174.600 -0.003 0.000 0.967 610 S CA 0.281 58.468 58.200 -0.022 0.000 0.920 610 S CB 0.233 63.434 63.200 0.002 0.000 0.773 610 S HN 0.445 nan 8.310 nan 0.000 0.529 611 G N 0.994 109.732 108.800 -0.104 0.000 2.511 611 G HA2 0.078 4.037 3.960 -0.001 0.000 0.217 611 G HA3 0.078 4.037 3.960 -0.001 0.000 0.217 611 G C 1.153 175.959 174.900 -0.156 0.000 1.133 611 G CA 0.681 45.703 45.100 -0.130 0.000 0.792 611 G HN 0.461 nan 8.290 nan 0.000 0.539 612 V N 1.099 120.882 119.914 -0.218 0.000 2.326 612 V HA 0.268 4.388 4.120 -0.001 0.000 0.237 612 V C 2.068 178.282 176.094 0.200 0.000 1.044 612 V CA 1.244 63.529 62.300 -0.026 0.000 1.035 612 V CB -0.551 31.209 31.823 -0.104 0.000 0.675 612 V HN 0.316 nan 8.190 nan 0.000 0.470 613 A N 1.326 124.189 122.820 0.072 0.000 2.915 613 A HA 0.379 4.699 4.320 -0.001 0.000 0.292 613 A C 0.081 177.832 177.584 0.278 0.000 1.632 613 A CA -0.024 52.034 52.037 0.035 0.000 1.337 613 A CB -1.017 17.836 19.000 -0.245 0.000 1.111 613 A HN 0.470 nan 8.150 nan 0.000 0.569 614 L N 3.129 124.714 121.223 0.603 0.000 2.499 614 L HA 0.130 4.470 4.340 -0.001 0.000 0.273 614 L C -1.882 175.296 176.870 0.513 0.000 1.195 614 L CA -1.491 53.622 54.840 0.455 0.000 0.882 614 L CB 0.862 43.159 42.059 0.396 0.000 1.133 614 L HN 0.375 nan 8.230 nan 0.000 0.483 615 P HA 0.159 nan 4.420 nan 0.000 0.265 615 P C 0.137 177.585 177.300 0.246 0.000 1.187 615 P CA 0.249 63.488 63.100 0.231 0.000 0.766 615 P CB 0.788 32.554 31.700 0.110 0.000 0.820 616 G N 1.160 110.081 108.800 0.201 0.000 2.302 616 G HA2 0.080 4.039 3.960 -0.001 0.000 0.264 616 G HA3 0.080 4.039 3.960 -0.001 0.000 0.264 616 G C -1.883 173.059 174.900 0.070 0.000 1.335 616 G CA -0.772 44.358 45.100 0.050 0.000 0.982 616 G HN 0.264 nan 8.290 nan 0.000 0.473 617 Y N -0.237 120.184 120.300 0.202 0.000 2.323 617 Y HA 0.691 5.241 4.550 -0.001 0.000 0.331 617 Y C -0.118 176.029 175.900 0.413 0.000 1.092 617 Y CA -0.087 58.170 58.100 0.262 0.000 1.150 617 Y CB 1.404 39.837 38.460 -0.045 0.000 1.200 617 Y HN 0.570 nan 8.280 nan 0.000 0.472 618 W N 2.819 124.411 121.300 0.487 0.000 2.882 618 W HA 0.677 5.336 4.660 -0.001 0.000 0.345 618 W C -0.958 175.743 176.519 0.303 0.000 1.125 618 W CA -1.128 56.437 57.345 0.367 0.000 1.167 618 W CB 1.255 30.838 29.460 0.206 0.000 1.431 618 W HN 0.241 nan 8.180 nan 0.000 0.543 619 M N 2.971 122.711 119.600 0.234 0.000 2.209 619 M HA 0.341 4.821 4.480 -0.001 0.000 0.355 619 M C -0.692 175.581 176.300 -0.046 0.000 1.171 619 M CA -1.039 54.210 55.300 -0.086 0.000 1.069 619 M CB 0.972 33.318 32.600 -0.423 0.000 1.622 619 M HN 0.218 nan 8.290 nan 0.000 0.459 620 L N 4.604 125.740 121.223 -0.144 0.000 2.264 620 L HA 0.610 4.949 4.340 -0.001 0.000 0.289 620 L C -1.770 174.918 176.870 -0.304 0.000 1.044 620 L CA 0.344 55.118 54.840 -0.109 0.000 0.807 620 L CB 0.226 42.284 42.059 -0.001 0.000 1.192 620 L HN 0.454 nan 8.230 nan 0.000 0.425 621 F N 4.477 124.391 119.950 -0.059 0.000 2.546 621 F HA 0.720 5.246 4.527 -0.001 0.000 0.320 621 F C -0.026 175.700 175.800 -0.124 0.000 1.076 621 F CA -0.718 57.230 58.000 -0.086 0.000 0.928 621 F CB 2.185 41.116 39.000 -0.114 0.000 1.189 621 F HN 0.422 nan 8.300 nan 0.000 0.465 622 V N 0.560 120.520 119.914 0.078 0.000 2.769 622 V HA 0.812 4.931 4.120 -0.001 0.000 0.312 622 V C -0.838 175.225 176.094 -0.052 0.000 1.061 622 V CA -0.921 61.356 62.300 -0.037 0.000 0.931 622 V CB 1.931 33.710 31.823 -0.073 0.000 1.010 622 V HN 0.700 nan 8.190 nan 0.000 0.433 623 M N 4.397 123.934 119.600 -0.105 0.000 2.393 623 M HA 0.529 5.008 4.480 -0.001 0.000 0.316 623 M C -0.272 175.968 176.300 -0.100 0.000 1.087 623 M CA -0.470 54.760 55.300 -0.117 0.000 0.937 623 M CB 1.709 34.218 32.600 -0.152 0.000 1.668 623 M HN 1.041 nan 8.290 nan 0.000 0.438 624 N N 0.392 119.048 118.700 -0.074 0.000 2.347 624 N HA 0.219 4.958 4.740 -0.001 0.000 0.253 624 N C 0.645 176.127 175.510 -0.047 0.000 1.274 624 N CA 0.017 53.036 53.050 -0.051 0.000 0.941 624 N CB 0.099 38.569 38.487 -0.028 0.000 1.200 624 N HN 0.665 nan 8.380 nan 0.000 0.514 625 S N -1.587 114.095 115.700 -0.029 0.000 2.420 625 S HA -0.183 4.287 4.470 -0.001 0.000 0.237 625 S C 1.662 176.248 174.600 -0.024 0.000 1.023 625 S CA 0.815 59.001 58.200 -0.024 0.000 0.991 625 S CB -1.005 62.189 63.200 -0.009 0.000 0.792 625 S HN 0.806 nan 8.310 nan 0.000 0.488 626 A N 0.893 123.701 122.820 -0.020 0.000 2.239 626 A HA 0.498 4.817 4.320 -0.001 0.000 0.209 626 A C 1.889 179.460 177.584 -0.022 0.000 1.171 626 A CA 0.767 52.795 52.037 -0.015 0.000 0.768 626 A CB -1.269 17.727 19.000 -0.006 0.000 0.790 626 A HN 1.554 nan 8.150 nan 0.000 0.478 627 G N -1.856 106.917 108.800 -0.045 0.000 2.176 627 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.253 627 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.253 627 G C 0.181 175.026 174.900 -0.093 0.000 0.979 627 G CA 0.137 45.196 45.100 -0.069 0.000 0.641 627 G HN 0.837 nan 8.290 nan 0.000 0.530 628 V N 3.228 123.104 119.914 -0.064 0.000 2.455 628 V HA 0.429 4.548 4.120 -0.001 0.000 0.273 628 V C -1.085 174.937 176.094 -0.120 0.000 1.045 628 V CA -1.119 61.144 62.300 -0.061 0.000 0.976 628 V CB 1.222 33.032 31.823 -0.021 0.000 0.993 628 V HN 0.267 nan 8.190 nan 0.000 0.475 629 P HA 0.222 nan 4.420 nan 0.000 0.277 629 P C -0.063 177.237 177.300 -0.001 0.000 1.240 629 P CA -0.262 62.742 63.100 -0.160 0.000 0.798 629 P CB 1.104 32.578 31.700 -0.377 0.000 0.979 630 S N 1.393 117.138 115.700 0.076 0.000 2.617 630 S HA 0.244 4.714 4.470 -0.001 0.000 0.255 630 S C 0.895 175.602 174.600 0.178 0.000 1.318 630 S CA -0.647 57.607 58.200 0.090 0.000 0.978 630 S CB -0.369 62.864 63.200 0.056 0.000 0.961 630 S HN 0.502 nan 8.310 nan 0.000 0.582 631 V N -1.490 118.481 119.914 0.094 0.000 3.185 631 V HA 0.705 4.825 4.120 -0.001 0.000 0.305 631 V C 0.583 176.605 176.094 -0.120 0.000 1.090 631 V CA -0.687 61.661 62.300 0.080 0.000 1.107 631 V CB -0.468 31.378 31.823 0.037 0.000 1.061 631 V HN 1.248 nan 8.190 nan 0.000 0.480 632 A N 2.896 125.496 122.820 -0.366 0.000 2.425 632 A HA 0.571 4.890 4.320 -0.001 0.000 0.249 632 A C 0.571 177.978 177.584 -0.294 0.000 1.084 632 A CA -0.119 51.472 52.037 -0.743 0.000 0.781 632 A CB -0.178 18.290 19.000 -0.885 0.000 1.019 632 A HN 1.104 nan 8.150 nan 0.000 0.490 633 S N 0.994 116.562 115.700 -0.221 0.000 2.525 633 S HA 0.397 4.867 4.470 -0.001 0.000 0.278 633 S C 0.236 174.843 174.600 0.011 0.000 1.234 633 S CA -0.376 57.786 58.200 -0.063 0.000 1.058 633 S CB 1.036 64.230 63.200 -0.010 0.000 0.983 633 S HN 0.728 nan 8.310 nan 0.000 0.495 634 T N 4.486 119.093 114.554 0.088 0.000 2.779 634 T HA 0.276 4.626 4.350 -0.001 0.000 0.296 634 T C -0.110 174.717 174.700 0.212 0.000 0.938 634 T CA -0.105 62.117 62.100 0.203 0.000 1.119 634 T CB -0.200 68.761 68.868 0.154 0.000 0.891 634 T HN 0.291 nan 8.240 nan 0.000 0.526 635 I N 3.297 124.046 120.570 0.297 0.000 2.406 635 I HA 0.390 4.559 4.170 -0.001 0.000 0.290 635 I C 0.247 176.559 176.117 0.324 0.000 0.999 635 I CA -1.129 60.323 61.300 0.253 0.000 1.124 635 I CB 1.581 39.709 38.000 0.213 0.000 1.289 635 I HN 0.508 nan 8.210 nan 0.000 0.441 636 R N 5.292 125.923 120.500 0.219 0.000 2.265 636 R HA 0.526 4.866 4.340 -0.001 0.000 0.314 636 R C -1.378 174.962 176.300 0.066 0.000 1.053 636 R CA -0.132 56.029 56.100 0.102 0.000 0.931 636 R CB 0.825 31.115 30.300 -0.016 0.000 1.024 636 R HN 0.418 nan 8.270 nan 0.000 0.457 637 V N 5.409 125.378 119.914 0.092 0.000 2.398 637 V HA 0.432 4.552 4.120 -0.001 0.000 0.286 637 V C 0.071 176.175 176.094 0.016 0.000 1.026 637 V CA -0.338 61.968 62.300 0.010 0.000 0.868 637 V CB 1.505 33.257 31.823 -0.118 0.000 0.982 637 V HN 1.065 nan 8.190 nan 0.000 0.443 638 T N 2.649 117.193 114.554 -0.016 0.000 2.940 638 T HA 0.921 5.270 4.350 -0.001 0.000 0.288 638 T C -0.660 174.032 174.700 -0.014 0.000 1.045 638 T CA -0.768 61.323 62.100 -0.015 0.000 1.018 638 T CB 2.348 71.199 68.868 -0.028 0.000 1.151 638 T HN 0.707 nan 8.240 nan 0.000 0.529 639 Q N 0.000 119.794 119.800 -0.010 0.000 2.315 639 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 639 Q CA 0.000 55.796 55.803 -0.011 0.000 1.022 639 Q CB 0.000 28.738 28.738 0.001 0.000 1.108 639 Q HN 0.000 nan 8.270 nan 0.000 0.481