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 3pq8_1_A DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PAGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA 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 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.572 174.600 -0.046 0.000 1.055 28 S CA 0.000 58.179 58.200 -0.035 0.000 1.107 28 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 29 L N -0.277 120.909 121.223 -0.061 0.000 2.301 29 L HA 1.098 5.477 4.340 0.065 0.000 0.249 29 L C 0.367 177.155 176.870 -0.137 0.000 1.069 29 L CA -0.995 53.792 54.840 -0.089 0.000 0.865 29 L CB -0.073 41.940 42.059 -0.076 0.000 1.467 29 L HN 0.347 nan 8.230 nan 0.000 0.419 30 A N 0.381 123.060 122.820 -0.235 0.000 2.425 30 A HA 0.617 4.976 4.320 0.065 0.000 0.242 30 A C -2.123 175.307 177.584 -0.256 0.000 1.077 30 A CA -0.706 51.062 52.037 -0.448 0.000 0.781 30 A CB -1.084 17.368 19.000 -0.914 0.000 1.020 30 A HN 0.712 nan 8.150 nan 0.000 0.494 31 P HA 0.094 nan 4.420 nan 0.000 0.271 31 P C 0.304 177.584 177.300 -0.033 0.000 1.216 31 P CA 0.002 63.066 63.100 -0.060 0.000 0.771 31 P CB 0.847 32.551 31.700 0.006 0.000 0.864 32 E N 1.877 122.066 120.200 -0.017 0.000 2.169 32 E HA -0.276 4.113 4.350 0.065 0.000 0.202 32 E C 1.135 177.756 176.600 0.034 0.000 1.016 32 E CA 2.125 58.528 56.400 0.005 0.000 0.817 32 E CB -0.105 29.596 29.700 0.002 0.000 0.736 32 E HN 0.572 nan 8.360 nan 0.000 0.462 33 D N -1.479 118.947 120.400 0.044 0.000 2.363 33 D HA -0.004 4.675 4.640 0.065 0.000 0.226 33 D C 1.256 177.605 176.300 0.082 0.000 1.020 33 D CA 0.848 54.879 54.000 0.052 0.000 0.892 33 D CB -0.272 40.551 40.800 0.038 0.000 0.900 33 D HN 0.282 nan 8.370 nan 0.000 0.531 34 G N 0.457 109.348 108.800 0.152 0.000 2.166 34 G HA2 -0.373 3.626 3.960 0.065 0.000 0.260 34 G HA3 -0.373 3.626 3.960 0.065 0.000 0.260 34 G C 1.054 176.046 174.900 0.154 0.000 0.986 34 G CA 0.984 46.219 45.100 0.224 0.000 0.683 34 G HN 0.724 nan 8.290 nan 0.000 0.527 35 S N -0.170 115.634 115.700 0.172 0.000 2.603 35 S HA 0.016 4.525 4.470 0.065 0.000 0.229 35 S C 1.742 176.395 174.600 0.087 0.000 0.972 35 S CA 1.229 59.480 58.200 0.084 0.000 0.935 35 S CB -0.631 62.607 63.200 0.063 0.000 0.769 35 S HN 1.036 nan 8.310 nan 0.000 0.536 36 H N 0.501 119.577 119.070 0.011 0.000 2.495 36 H HA 0.273 4.868 4.556 0.065 0.000 0.287 36 H C 1.142 176.481 175.328 0.019 0.000 1.033 36 H CA 0.519 56.575 56.048 0.013 0.000 1.307 36 H CB -0.114 29.655 29.762 0.011 0.000 1.401 36 H HN 0.361 nan 8.280 nan 0.000 0.555 37 R N 2.056 122.239 120.500 -0.527 0.000 2.295 37 R HA 0.338 4.717 4.340 0.065 0.000 0.324 37 R C -2.885 173.319 176.300 -0.160 0.000 0.968 37 R CA -2.511 53.359 56.100 -0.384 0.000 0.837 37 R CB 0.723 30.678 30.300 -0.575 0.000 1.133 37 R HN 0.076 nan 8.270 nan 0.000 0.450 38 P HA 0.106 nan 4.420 nan 0.000 0.268 38 P C -0.859 176.432 177.300 -0.015 0.000 1.204 38 P CA -0.211 62.879 63.100 -0.017 0.000 0.768 38 P CB 0.995 32.710 31.700 0.025 0.000 0.842 39 A N 3.229 126.046 122.820 -0.005 0.000 2.540 39 A HA 0.338 4.697 4.320 0.065 0.000 0.239 39 A C 0.942 178.537 177.584 0.019 0.000 1.061 39 A CA 0.266 52.304 52.037 0.003 0.000 0.758 39 A CB -0.421 18.583 19.000 0.007 0.000 0.991 39 A HN 0.588 nan 8.150 nan 0.000 0.502 40 A N 3.018 125.849 122.820 0.018 0.000 3.135 40 A HA 0.501 4.860 4.320 0.065 0.000 0.253 40 A C 0.240 177.844 177.584 0.032 0.000 1.638 40 A CA -0.102 51.952 52.037 0.029 0.000 1.295 40 A CB -0.385 18.629 19.000 0.024 0.000 1.106 40 A HN 0.742 nan 8.150 nan 0.000 0.648 41 E N 0.460 120.682 120.200 0.036 0.000 2.413 41 E HA 0.380 4.770 4.350 0.065 0.000 0.277 41 E C -3.118 173.506 176.600 0.039 0.000 0.958 41 E CA -2.002 54.419 56.400 0.036 0.000 0.779 41 E CB 1.865 31.581 29.700 0.026 0.000 1.278 41 E HN 0.066 nan 8.360 nan 0.000 0.456 42 P HA 0.085 nan 4.420 nan 0.000 0.267 42 P C -0.576 176.733 177.300 0.016 0.000 1.205 42 P CA 0.151 63.266 63.100 0.025 0.000 0.765 42 P CB 0.233 31.935 31.700 0.003 0.000 0.828 43 T N 0.648 115.208 114.554 0.009 0.000 2.916 43 T HA 0.592 4.981 4.350 0.065 0.000 0.305 43 T C -2.995 171.683 174.700 -0.037 0.000 1.119 43 T CA -2.521 59.581 62.100 0.002 0.000 1.008 43 T CB 1.688 70.563 68.868 0.011 0.000 1.129 43 T HN 0.098 nan 8.240 nan 0.000 0.480 44 P HA 0.347 nan 4.420 nan 0.000 0.272 44 P C -2.732 174.436 177.300 -0.220 0.000 1.230 44 P CA -1.488 61.478 63.100 -0.223 0.000 0.788 44 P CB -0.893 30.766 31.700 -0.068 0.000 0.949 45 P HA 0.034 nan 4.420 nan 0.000 0.266 45 P C 1.123 178.379 177.300 -0.072 0.000 1.195 45 P CA 1.407 64.411 63.100 -0.161 0.000 0.768 45 P CB -0.188 31.410 31.700 -0.170 0.000 0.838 46 G N 2.498 111.285 108.800 -0.022 0.000 2.245 46 G HA2 -0.374 3.625 3.960 0.065 0.000 0.264 46 G HA3 -0.374 3.625 3.960 0.065 0.000 0.264 46 G C 1.183 176.084 174.900 0.001 0.000 0.985 46 G CA 0.506 45.605 45.100 -0.001 0.000 0.625 46 G HN 0.685 nan 8.290 nan 0.000 0.536 47 A N -1.233 121.583 122.820 -0.006 0.000 2.014 47 A HA 0.402 4.761 4.320 0.065 0.000 0.218 47 A C 1.326 178.915 177.584 0.009 0.000 1.163 47 A CA 2.010 54.049 52.037 0.002 0.000 0.652 47 A CB 0.022 19.022 19.000 0.000 0.000 0.808 47 A HN 0.505 nan 8.150 nan 0.000 0.449 48 Q N -1.083 118.725 119.800 0.014 0.000 2.456 48 Q HA 0.423 4.803 4.340 0.065 0.000 0.284 48 Q C -2.970 173.046 176.000 0.026 0.000 1.061 48 Q CA -1.961 53.853 55.803 0.019 0.000 0.799 48 Q CB 1.238 29.991 28.738 0.024 0.000 1.445 48 Q HN 0.062 nan 8.270 nan 0.000 0.411 49 P HA 0.046 nan 4.420 nan 0.000 0.269 49 P C -0.239 177.092 177.300 0.052 0.000 1.215 49 P CA 0.055 63.170 63.100 0.025 0.000 0.780 49 P CB 0.266 31.977 31.700 0.019 0.000 0.898 50 T N -1.209 113.372 114.554 0.046 0.000 2.828 50 T HA 0.665 5.054 4.350 0.065 0.000 0.290 50 T C -0.092 174.694 174.700 0.143 0.000 1.019 50 T CA -0.572 61.604 62.100 0.127 0.000 1.031 50 T CB 0.843 69.725 68.868 0.023 0.000 1.001 50 T HN 0.575 nan 8.240 nan 0.000 0.531 51 A N 1.340 124.353 122.820 0.320 0.000 2.594 51 A HA 0.777 5.136 4.320 0.065 0.000 0.291 51 A C -3.022 174.833 177.584 0.453 0.000 1.105 51 A CA -2.027 50.173 52.037 0.272 0.000 0.694 51 A CB 0.682 19.792 19.000 0.183 0.000 1.291 51 A HN 0.666 nan 8.150 nan 0.000 0.410 52 P HA 0.095 nan 4.420 nan 0.000 0.264 52 P C 1.241 178.698 177.300 0.260 0.000 1.183 52 P CA 0.958 64.279 63.100 0.368 0.000 0.763 52 P CB 0.498 32.333 31.700 0.226 0.000 0.807 53 G N 2.702 111.616 108.800 0.191 0.000 2.469 53 G HA2 -0.318 3.681 3.960 0.065 0.000 0.219 53 G HA3 -0.318 3.681 3.960 0.065 0.000 0.219 53 G C 1.567 176.488 174.900 0.034 0.000 1.150 53 G CA 1.197 46.322 45.100 0.041 0.000 0.763 53 G HN 0.597 nan 8.290 nan 0.000 0.561 54 S N -0.035 115.689 115.700 0.039 0.000 2.453 54 S HA 0.139 4.648 4.470 0.065 0.000 0.231 54 S C 2.214 176.835 174.600 0.034 0.000 1.005 54 S CA 0.838 59.046 58.200 0.014 0.000 0.949 54 S CB -0.160 63.042 63.200 0.003 0.000 0.774 54 S HN 0.325 nan 8.310 nan 0.000 0.510 55 L N -0.109 121.152 121.223 0.063 0.000 2.298 55 L HA 0.260 4.639 4.340 0.065 0.000 0.209 55 L C 2.676 179.582 176.870 0.060 0.000 1.084 55 L CA 0.763 55.640 54.840 0.061 0.000 0.816 55 L CB -0.336 41.768 42.059 0.075 0.000 0.967 55 L HN 0.239 nan 8.230 nan 0.000 0.460 56 K N 1.485 121.932 120.400 0.079 0.000 2.103 56 K HA 0.001 4.361 4.320 0.065 0.000 0.204 56 K C 0.788 177.422 176.600 0.056 0.000 1.052 56 K CA 1.393 57.727 56.287 0.077 0.000 0.945 56 K CB 0.072 32.635 32.500 0.105 0.000 0.722 56 K HN 0.162 nan 8.250 nan 0.000 0.443 57 A N 0.574 123.420 122.820 0.043 0.000 3.355 57 A HA 0.335 4.694 4.320 0.065 0.000 0.290 57 A C -2.142 175.451 177.584 0.015 0.000 0.973 57 A CA -0.901 51.158 52.037 0.037 0.000 0.933 57 A CB 0.533 19.559 19.000 0.043 0.000 1.138 57 A HN 0.166 nan 8.150 nan 0.000 0.490 58 P HA -0.122 nan 4.420 nan 0.000 0.222 58 P C 0.042 177.337 177.300 -0.007 0.000 1.147 58 P CA 1.149 64.251 63.100 0.002 0.000 0.790 58 P CB 0.317 32.022 31.700 0.009 0.000 0.780 59 D N -0.894 119.506 120.400 -0.000 0.000 2.339 59 D HA 0.028 4.707 4.640 0.065 0.000 0.217 59 D C 0.265 176.555 176.300 -0.017 0.000 1.050 59 D CA 0.524 54.520 54.000 -0.006 0.000 0.856 59 D CB -0.222 40.582 40.800 0.006 0.000 0.922 59 D HN 0.112 nan 8.370 nan 0.000 0.518 60 T N 1.668 116.209 114.554 -0.022 0.000 2.729 60 T HA 0.403 4.792 4.350 0.065 0.000 0.296 60 T C 0.426 175.084 174.700 -0.070 0.000 0.928 60 T CA -0.219 61.854 62.100 -0.045 0.000 1.045 60 T CB 1.124 69.964 68.868 -0.046 0.000 0.902 60 T HN -0.089 nan 8.240 nan 0.000 0.500 61 R N 2.728 123.180 120.500 -0.080 0.000 2.837 61 R HA 0.657 5.037 4.340 0.065 0.000 0.271 61 R C -0.575 175.668 176.300 -0.095 0.000 0.993 61 R CA -1.023 55.023 56.100 -0.090 0.000 0.931 61 R CB 1.570 31.824 30.300 -0.076 0.000 1.206 61 R HN 0.762 nan 8.270 nan 0.000 0.474 62 N N -1.635 117.010 118.700 -0.092 0.000 2.934 62 N HA 0.039 4.818 4.740 0.065 0.000 0.253 62 N C 0.031 175.495 175.510 -0.077 0.000 1.466 62 N CA -0.951 52.056 53.050 -0.071 0.000 0.858 62 N CB 0.710 39.186 38.487 -0.019 0.000 1.459 62 N HN 0.622 nan 8.380 nan 0.000 0.532 63 E N -0.363 119.806 120.200 -0.052 0.000 2.118 63 E HA -0.275 4.114 4.350 0.065 0.000 0.195 63 E C 1.079 177.607 176.600 -0.119 0.000 0.992 63 E CA 1.440 57.803 56.400 -0.062 0.000 0.804 63 E CB 0.088 29.776 29.700 -0.019 0.000 0.741 63 E HN 0.489 nan 8.360 nan 0.000 0.458 64 K N 0.667 120.961 120.400 -0.177 0.000 2.031 64 K HA -0.057 4.302 4.320 0.065 0.000 0.205 64 K C 2.082 178.516 176.600 -0.277 0.000 1.049 64 K CA 1.070 57.159 56.287 -0.331 0.000 0.939 64 K CB -0.416 31.709 32.500 -0.625 0.000 0.717 64 K HN 0.179 nan 8.250 nan 0.000 0.438 65 L N 0.981 122.056 121.223 -0.246 0.000 2.079 65 L HA -0.232 4.147 4.340 0.065 0.000 0.210 65 L C 1.828 178.581 176.870 -0.194 0.000 1.081 65 L CA 1.326 55.995 54.840 -0.284 0.000 0.752 65 L CB -0.572 41.316 42.059 -0.284 0.000 0.896 65 L HN 0.282 nan 8.230 nan 0.000 0.433 66 N N -0.419 118.193 118.700 -0.146 0.000 2.142 66 N HA -0.154 4.626 4.740 0.065 0.000 0.186 66 N C 2.053 177.502 175.510 -0.102 0.000 1.023 66 N CA 1.652 54.639 53.050 -0.106 0.000 0.852 66 N CB -0.462 37.976 38.487 -0.082 0.000 0.998 66 N HN 0.362 nan 8.380 nan 0.000 0.424 67 S N 0.589 116.218 115.700 -0.118 0.000 2.469 67 S HA -0.000 4.509 4.470 0.065 0.000 0.238 67 S C 1.829 176.365 174.600 -0.106 0.000 0.998 67 S CA 0.468 58.606 58.200 -0.104 0.000 0.957 67 S CB -0.551 62.580 63.200 -0.116 0.000 0.764 67 S HN 0.252 nan 8.310 nan 0.000 0.514 68 L N 0.753 121.898 121.223 -0.129 0.000 2.552 68 L HA 0.152 4.531 4.340 0.065 0.000 0.227 68 L C 2.648 179.470 176.870 -0.080 0.000 1.146 68 L CA 0.614 55.387 54.840 -0.111 0.000 0.858 68 L CB -0.477 41.500 42.059 -0.137 0.000 0.969 68 L HN 0.251 nan 8.230 nan 0.000 0.451 69 E N 1.096 121.253 120.200 -0.073 0.000 2.160 69 E HA -0.257 4.132 4.350 0.065 0.000 0.195 69 E C 1.696 178.272 176.600 -0.039 0.000 0.991 69 E CA 1.525 57.895 56.400 -0.050 0.000 0.810 69 E CB -0.102 29.571 29.700 -0.044 0.000 0.742 69 E HN 0.601 nan 8.360 nan 0.000 0.466 70 D N -0.625 119.750 120.400 -0.042 0.000 2.218 70 D HA -0.143 4.536 4.640 0.065 0.000 0.204 70 D C 1.656 177.937 176.300 -0.031 0.000 0.976 70 D CA 1.587 55.567 54.000 -0.033 0.000 0.853 70 D CB -0.366 40.414 40.800 -0.034 0.000 0.939 70 D HN 0.312 nan 8.370 nan 0.000 0.481 71 V N -3.511 116.382 119.914 -0.034 0.000 3.605 71 V HA 0.314 4.473 4.120 0.065 0.000 0.284 71 V C 0.824 176.906 176.094 -0.020 0.000 1.386 71 V CA -0.684 61.600 62.300 -0.027 0.000 1.053 71 V CB -0.467 31.340 31.823 -0.027 0.000 0.857 71 V HN -0.162 nan 8.190 nan 0.000 0.436 72 R N 2.078 122.565 120.500 -0.021 0.000 2.522 72 R HA 0.361 4.740 4.340 0.065 0.000 0.284 72 R C -0.299 175.997 176.300 -0.006 0.000 1.032 72 R CA 0.113 56.209 56.100 -0.007 0.000 1.049 72 R CB 0.555 30.851 30.300 -0.006 0.000 0.956 72 R HN 0.310 nan 8.270 nan 0.000 0.422 73 K N 1.370 121.769 120.400 -0.000 0.000 2.323 73 K HA 0.331 4.690 4.320 0.065 0.000 0.259 73 K C -0.037 176.572 176.600 0.015 0.000 0.947 73 K CA -0.343 55.931 56.287 -0.022 0.000 0.819 73 K CB 1.788 34.262 32.500 -0.043 0.000 1.109 73 K HN 0.646 nan 8.250 nan 0.000 0.429 74 G N 0.714 109.541 108.800 0.045 0.000 2.546 74 G HA2 0.309 4.308 3.960 0.065 0.000 0.239 74 G HA3 0.309 4.308 3.960 0.065 0.000 0.239 74 G C 0.125 175.129 174.900 0.173 0.000 1.476 74 G CA 0.229 45.414 45.100 0.141 0.000 1.064 74 G HN 0.792 nan 8.290 nan 0.000 0.561 75 S N -2.708 113.183 115.700 0.320 0.000 2.323 75 S HA 0.100 4.609 4.470 0.065 0.000 0.233 75 S C 0.196 174.977 174.600 0.301 0.000 0.898 75 S CA -0.148 58.243 58.200 0.319 0.000 1.321 75 S CB 0.026 63.316 63.200 0.151 0.000 0.921 75 S HN 0.490 nan 8.310 nan 0.000 0.398 76 E N 3.045 123.330 120.200 0.141 0.000 2.415 76 E HA 0.290 4.679 4.350 0.065 0.000 0.263 76 E C -0.219 176.275 176.600 -0.178 0.000 0.995 76 E CA 0.240 56.644 56.400 0.005 0.000 0.915 76 E CB 0.067 29.765 29.700 -0.004 0.000 0.951 76 E HN 0.381 nan 8.360 nan 0.000 0.449 77 N N 0.781 119.399 118.700 -0.137 0.000 2.909 77 N HA -0.214 4.565 4.740 0.065 0.000 0.242 77 N C -1.148 174.212 175.510 -0.250 0.000 0.975 77 N CA 1.137 54.062 53.050 -0.209 0.000 0.921 77 N CB -1.344 36.976 38.487 -0.279 0.000 1.112 77 N HN 0.376 nan 8.380 nan 0.000 0.581 78 Y N 0.625 120.930 120.300 0.009 0.000 2.387 78 Y HA 0.648 5.238 4.550 0.066 0.000 0.330 78 Y C 0.924 176.827 175.900 0.005 0.000 1.133 78 Y CA -0.626 57.478 58.100 0.007 0.000 1.152 78 Y CB 1.068 39.533 38.460 0.008 0.000 1.215 78 Y HN 0.125 nan 8.280 nan 0.000 0.466 79 A N 2.571 125.507 122.820 0.192 0.000 2.407 79 A HA 0.400 4.760 4.320 0.065 0.000 0.248 79 A C -0.708 176.925 177.584 0.082 0.000 1.082 79 A CA -0.485 51.614 52.037 0.103 0.000 0.785 79 A CB 0.063 19.110 19.000 0.078 0.000 1.020 79 A HN 0.710 nan 8.150 nan 0.000 0.489 80 L N 2.705 123.957 121.223 0.048 0.000 2.367 80 L HA 0.553 4.932 4.340 0.065 0.000 0.275 80 L C 0.587 177.465 176.870 0.014 0.000 1.129 80 L CA 1.058 55.913 54.840 0.025 0.000 0.839 80 L CB 0.588 42.653 42.059 0.010 0.000 1.133 80 L HN 0.912 nan 8.230 nan 0.000 0.453 81 T N 0.293 114.850 114.554 0.004 0.000 2.865 81 T HA 0.633 5.022 4.350 0.065 0.000 0.294 81 T C 0.167 174.868 174.700 0.001 0.000 1.119 81 T CA -0.201 61.904 62.100 0.008 0.000 1.007 81 T CB 0.985 69.861 68.868 0.012 0.000 1.225 81 T HN 0.833 nan 8.240 nan 0.000 0.515 82 T N 0.328 114.895 114.554 0.022 0.000 2.701 82 T HA 0.190 4.579 4.350 0.065 0.000 0.303 82 T C 1.060 175.777 174.700 0.028 0.000 1.030 82 T CA -0.436 61.686 62.100 0.036 0.000 1.010 82 T CB -0.065 68.869 68.868 0.109 0.000 1.007 82 T HN 0.570 nan 8.240 nan 0.000 0.532 83 N N 0.515 119.235 118.700 0.033 0.000 2.453 83 N HA -0.068 4.711 4.740 0.065 0.000 0.183 83 N C 1.588 177.118 175.510 0.034 0.000 1.041 83 N CA 0.561 53.623 53.050 0.020 0.000 0.900 83 N CB -0.165 38.343 38.487 0.034 0.000 0.961 83 N HN 0.564 nan 8.380 nan 0.000 0.443 84 Q N -0.383 119.451 119.800 0.057 0.000 2.403 84 Q HA 0.162 4.542 4.340 0.065 0.000 0.203 84 Q C 0.840 176.865 176.000 0.041 0.000 0.932 84 Q CA 0.224 56.057 55.803 0.050 0.000 0.945 84 Q CB 0.266 29.042 28.738 0.063 0.000 1.045 84 Q HN 0.418 nan 8.270 nan 0.000 0.511 85 G N 0.331 109.153 108.800 0.037 0.000 2.141 85 G HA2 -0.237 3.762 3.960 0.065 0.000 0.242 85 G HA3 -0.237 3.762 3.960 0.065 0.000 0.242 85 G C 0.092 175.018 174.900 0.044 0.000 0.982 85 G CA 0.144 45.261 45.100 0.027 0.000 0.662 85 G HN 0.224 nan 8.290 nan 0.000 0.527 86 V N 1.742 121.699 119.914 0.071 0.000 2.461 86 V HA 0.358 4.517 4.120 0.065 0.000 0.275 86 V C 1.314 177.448 176.094 0.066 0.000 1.047 86 V CA -0.599 61.755 62.300 0.090 0.000 0.955 86 V CB 1.084 33.009 31.823 0.170 0.000 0.988 86 V HN 0.406 nan 8.190 nan 0.000 0.471 87 R N 4.355 124.887 120.500 0.053 0.000 2.570 87 R HA 0.314 4.693 4.340 0.065 0.000 0.277 87 R C -0.509 175.805 176.300 0.023 0.000 1.039 87 R CA -0.012 56.109 56.100 0.036 0.000 1.065 87 R CB 0.435 30.756 30.300 0.035 0.000 0.964 87 R HN 0.573 nan 8.270 nan 0.000 0.428 88 I N 2.088 122.660 120.570 0.003 0.000 2.353 88 I HA 0.110 4.319 4.170 0.065 0.000 0.293 88 I C 0.982 177.088 176.117 -0.017 0.000 0.992 88 I CA 0.085 61.371 61.300 -0.024 0.000 1.268 88 I CB 1.850 39.825 38.000 -0.042 0.000 1.387 88 I HN 0.772 nan 8.210 nan 0.000 0.478 89 A N 4.054 126.860 122.820 -0.023 0.000 1.924 89 A HA 0.029 4.388 4.320 0.065 0.000 0.211 89 A C 0.638 178.207 177.584 -0.025 0.000 1.198 89 A CA 0.832 52.859 52.037 -0.016 0.000 0.657 89 A CB 0.077 19.070 19.000 -0.011 0.000 0.852 89 A HN 0.675 nan 8.150 nan 0.000 0.454 90 D N -0.550 119.827 120.400 -0.039 0.000 2.421 90 D HA 0.330 5.010 4.640 0.065 0.000 0.254 90 D C -1.327 174.941 176.300 -0.053 0.000 1.238 90 D CA -0.357 53.618 54.000 -0.041 0.000 0.919 90 D CB 1.207 41.984 40.800 -0.039 0.000 1.152 90 D HN 0.046 nan 8.370 nan 0.000 0.552 91 D N 2.039 122.411 120.400 -0.048 0.000 2.395 91 D HA 0.051 4.730 4.640 0.065 0.000 0.226 91 D C 0.599 176.867 176.300 -0.054 0.000 1.146 91 D CA 0.249 54.216 54.000 -0.055 0.000 0.830 91 D CB 0.510 41.282 40.800 -0.046 0.000 0.958 91 D HN 0.240 nan 8.370 nan 0.000 0.501 92 Q N -0.602 119.168 119.800 -0.050 0.000 2.281 92 Q HA 0.267 4.646 4.340 0.065 0.000 0.215 92 Q C -0.174 175.796 176.000 -0.050 0.000 0.867 92 Q CA 0.169 55.944 55.803 -0.048 0.000 0.940 92 Q CB 0.811 29.526 28.738 -0.039 0.000 1.111 92 Q HN 0.191 nan 8.270 nan 0.000 0.513 93 N N 0.089 118.757 118.700 -0.053 0.000 2.331 93 N HA 0.267 5.046 4.740 0.065 0.000 0.280 93 N C -1.047 174.428 175.510 -0.058 0.000 1.155 93 N CA -0.245 52.775 53.050 -0.050 0.000 0.822 93 N CB 2.103 40.566 38.487 -0.040 0.000 1.619 93 N HN -0.175 nan 8.380 nan 0.000 0.476 94 S N 0.847 116.516 115.700 -0.052 0.000 2.585 94 S HA 0.214 4.724 4.470 0.065 0.000 0.273 94 S C 0.241 174.816 174.600 -0.042 0.000 1.339 94 S CA -0.514 57.656 58.200 -0.050 0.000 1.028 94 S CB 0.621 63.798 63.200 -0.039 0.000 0.906 94 S HN 0.394 nan 8.310 nan 0.000 0.528 95 L N 3.807 125.005 121.223 -0.041 0.000 2.319 95 L HA 0.435 4.814 4.340 0.065 0.000 0.280 95 L C 0.100 176.963 176.870 -0.013 0.000 1.099 95 L CA 0.370 55.194 54.840 -0.026 0.000 0.828 95 L CB 0.009 42.056 42.059 -0.021 0.000 1.150 95 L HN 0.742 nan 8.230 nan 0.000 0.442 96 R N 4.122 124.617 120.500 -0.009 0.000 2.855 96 R HA 0.873 5.252 4.340 0.065 0.000 0.266 96 R C -1.225 175.075 176.300 -0.001 0.000 1.034 96 R CA -0.884 55.213 56.100 -0.005 0.000 0.944 96 R CB 1.110 31.405 30.300 -0.008 0.000 1.219 96 R HN 0.586 nan 8.270 nan 0.000 0.474 97 A N 1.216 124.036 122.820 0.001 0.000 2.506 97 A HA 0.603 4.962 4.320 0.065 0.000 0.320 97 A C 0.592 178.176 177.584 0.000 0.000 1.424 97 A CA 0.222 52.261 52.037 0.003 0.000 1.044 97 A CB -0.727 18.276 19.000 0.005 0.000 1.140 97 A HN 1.201 nan 8.150 nan 0.000 0.538 98 G N 1.428 110.228 108.800 -0.001 0.000 2.755 98 G HA2 -0.013 3.986 3.960 0.065 0.000 0.686 98 G HA3 -0.013 3.986 3.960 0.065 0.000 0.686 98 G C 0.766 175.663 174.900 -0.005 0.000 1.427 98 G CA 0.183 45.282 45.100 -0.002 0.000 0.873 98 G HN 1.923 nan 8.290 nan 0.000 0.580 99 S N -0.310 115.386 115.700 -0.006 0.000 2.515 99 S HA 0.006 4.515 4.470 0.065 0.000 0.231 99 S C 1.559 176.153 174.600 -0.009 0.000 0.987 99 S CA 1.352 59.547 58.200 -0.009 0.000 0.936 99 S CB 0.076 63.271 63.200 -0.009 0.000 0.766 99 S HN 0.755 nan 8.310 nan 0.000 0.528 100 R N 1.069 121.565 120.500 -0.007 0.000 2.552 100 R HA 0.352 4.731 4.340 0.065 0.000 0.314 100 R C 0.858 177.154 176.300 -0.006 0.000 1.041 100 R CA 0.038 56.134 56.100 -0.007 0.000 1.076 100 R CB 0.659 30.955 30.300 -0.006 0.000 1.290 100 R HN 0.451 nan 8.270 nan 0.000 0.563 101 G N 1.594 110.391 108.800 -0.005 0.000 2.613 101 G HA2 0.417 4.416 3.960 0.065 0.000 0.303 101 G HA3 0.417 4.416 3.960 0.065 0.000 0.303 101 G C -2.470 172.428 174.900 -0.004 0.000 1.312 101 G CA -1.188 43.910 45.100 -0.003 0.000 1.036 101 G HN -0.105 nan 8.290 nan 0.000 0.513 102 P HA 0.239 nan 4.420 nan 0.000 0.277 102 P C -0.205 177.094 177.300 -0.000 0.000 1.240 102 P CA -0.083 63.017 63.100 -0.000 0.000 0.798 102 P CB 0.900 32.601 31.700 0.003 0.000 0.979 103 T N 2.547 117.100 114.554 -0.001 0.000 2.919 103 T HA 0.271 4.660 4.350 0.065 0.000 0.302 103 T C 0.469 175.173 174.700 0.006 0.000 1.031 103 T CA -0.091 62.008 62.100 -0.002 0.000 1.127 103 T CB -0.029 68.836 68.868 -0.005 0.000 0.952 103 T HN 0.182 nan 8.240 nan 0.000 0.540 104 L N 3.444 124.672 121.223 0.009 0.000 2.325 104 L HA 0.358 4.737 4.340 0.065 0.000 0.279 104 L C 1.348 178.236 176.870 0.029 0.000 1.054 104 L CA -0.802 54.049 54.840 0.019 0.000 0.804 104 L CB 0.910 42.982 42.059 0.023 0.000 1.200 104 L HN 0.498 nan 8.230 nan 0.000 0.436 105 L N 2.074 123.318 121.223 0.034 0.000 2.275 105 L HA -0.158 4.221 4.340 0.065 0.000 0.215 105 L C 2.294 179.205 176.870 0.068 0.000 1.119 105 L CA 1.530 56.397 54.840 0.045 0.000 0.790 105 L CB -0.571 41.512 42.059 0.039 0.000 0.919 105 L HN 0.801 nan 8.230 nan 0.000 0.443 106 E N -1.487 118.757 120.200 0.074 0.000 2.515 106 E HA -0.197 4.192 4.350 0.065 0.000 0.201 106 E C 0.236 176.942 176.600 0.177 0.000 1.071 106 E CA 0.300 56.773 56.400 0.120 0.000 0.880 106 E CB -0.536 29.225 29.700 0.102 0.000 0.828 106 E HN 0.375 nan 8.360 nan 0.000 0.540 107 D N 1.181 121.637 120.400 0.093 0.000 2.489 107 D HA -0.056 4.623 4.640 0.065 0.000 0.237 107 D C 0.465 176.785 176.300 0.032 0.000 1.212 107 D CA -0.370 53.642 54.000 0.021 0.000 1.058 107 D CB -0.189 40.591 40.800 -0.033 0.000 1.098 107 D HN 0.311 nan 8.370 nan 0.000 0.509 108 F N 1.900 121.859 119.950 0.014 0.000 2.325 108 F HA 0.048 4.614 4.527 0.065 0.000 0.299 108 F C 1.661 177.473 175.800 0.021 0.000 1.090 108 F CA 0.162 58.174 58.000 0.020 0.000 1.392 108 F CB -0.685 38.326 39.000 0.018 0.000 1.053 108 F HN 0.172 nan 8.300 nan 0.000 0.521 109 I N 0.460 120.574 120.570 -0.761 0.000 2.202 109 I HA -0.225 3.984 4.170 0.065 0.000 0.242 109 I C 2.519 178.523 176.117 -0.188 0.000 1.091 109 I CA 1.208 62.221 61.300 -0.480 0.000 1.368 109 I CB -0.609 37.058 38.000 -0.555 0.000 1.058 109 I HN 0.280 nan 8.210 nan 0.000 0.410 110 L N 1.154 122.283 121.223 -0.158 0.000 1.989 110 L HA -0.227 4.152 4.340 0.065 0.000 0.211 110 L C 2.661 179.519 176.870 -0.019 0.000 1.071 110 L CA 1.929 56.723 54.840 -0.077 0.000 0.749 110 L CB -0.566 41.456 42.059 -0.063 0.000 0.890 110 L HN 0.056 nan 8.230 nan 0.000 0.431 111 R N -0.690 119.818 120.500 0.012 0.000 2.092 111 R HA -0.170 4.209 4.340 0.065 0.000 0.231 111 R C 2.319 178.674 176.300 0.091 0.000 1.119 111 R CA 1.463 57.600 56.100 0.062 0.000 0.970 111 R CB -0.377 29.974 30.300 0.086 0.000 0.864 111 R HN 0.594 nan 8.270 nan 0.000 0.440 112 E N 1.212 121.469 120.200 0.095 0.000 2.051 112 E HA -0.246 4.143 4.350 0.065 0.000 0.192 112 E C 1.925 178.601 176.600 0.127 0.000 0.991 112 E CA 1.282 57.756 56.400 0.123 0.000 0.799 112 E CB 0.101 29.877 29.700 0.127 0.000 0.748 112 E HN 0.150 nan 8.360 nan 0.000 0.449 113 K N 0.231 120.674 120.400 0.072 0.000 2.026 113 K HA -0.156 4.203 4.320 0.065 0.000 0.208 113 K C 2.135 178.810 176.600 0.125 0.000 1.048 113 K CA 1.424 57.753 56.287 0.071 0.000 0.929 113 K CB -0.049 32.448 32.500 -0.005 0.000 0.713 113 K HN 0.138 nan 8.250 nan 0.000 0.439 114 I N 1.324 121.949 120.570 0.091 0.000 2.252 114 I HA -0.186 4.023 4.170 0.065 0.000 0.245 114 I C 2.158 178.387 176.117 0.187 0.000 1.102 114 I CA 1.382 62.756 61.300 0.123 0.000 1.385 114 I CB -1.429 36.608 38.000 0.060 0.000 1.064 114 I HN 0.245 nan 8.210 nan 0.000 0.414 115 T N -0.365 114.288 114.554 0.164 0.000 2.746 115 T HA -0.216 4.173 4.350 0.065 0.000 0.267 115 T C 1.958 176.787 174.700 0.215 0.000 1.039 115 T CA 1.357 63.570 62.100 0.189 0.000 1.142 115 T CB -0.402 68.589 68.868 0.205 0.000 0.866 115 T HN 0.342 nan 8.240 nan 0.000 0.444 116 H N -0.094 119.070 119.070 0.157 0.000 2.389 116 H HA -0.032 4.563 4.556 0.066 0.000 0.299 116 H C 2.120 177.513 175.328 0.108 0.000 1.081 116 H CA 1.301 57.429 56.048 0.132 0.000 1.345 116 H CB -0.330 29.490 29.762 0.097 0.000 1.393 116 H HN 0.420 nan 8.280 nan 0.000 0.520 117 F N 1.870 121.874 119.950 0.089 0.000 2.186 117 F HA -0.121 4.446 4.527 0.067 0.000 0.299 117 F C 1.837 177.578 175.800 -0.099 0.000 1.090 117 F CA 1.290 59.296 58.000 0.010 0.000 1.307 117 F CB -0.236 38.764 39.000 0.000 0.000 1.019 117 F HN 0.003 nan 8.300 nan 0.000 0.489 118 D N -0.977 119.316 120.400 -0.178 0.000 2.309 118 D HA -0.134 4.545 4.640 0.065 0.000 0.212 118 D C 1.049 176.926 176.300 -0.704 0.000 0.968 118 D CA 1.157 54.878 54.000 -0.466 0.000 0.882 118 D CB -0.344 40.168 40.800 -0.480 0.000 0.918 118 D HN 0.489 nan 8.370 nan 0.000 0.503 119 H N -0.534 118.411 119.070 -0.209 0.000 2.510 119 H HA 0.230 4.826 4.556 0.066 0.000 0.266 119 H C 0.970 176.137 175.328 -0.268 0.000 1.146 119 H CA -0.135 55.791 56.048 -0.204 0.000 0.993 119 H CB 0.496 30.160 29.762 -0.164 0.000 1.727 119 H HN 0.251 nan 8.280 nan 0.000 0.590 120 E N 0.701 120.738 120.200 -0.272 0.000 2.150 120 E HA -0.036 4.353 4.350 0.065 0.000 0.193 120 E C 0.498 176.935 176.600 -0.272 0.000 0.985 120 E CA 0.548 56.761 56.400 -0.311 0.000 0.814 120 E CB 0.458 29.954 29.700 -0.340 0.000 0.752 120 E HN 0.153 nan 8.360 nan 0.000 0.466 121 R N 1.329 121.733 120.500 -0.161 0.000 2.357 121 R HA 0.331 4.710 4.340 0.065 0.000 0.296 121 R C 0.465 176.799 176.300 0.057 0.000 1.052 121 R CA -0.167 55.907 56.100 -0.042 0.000 0.988 121 R CB 0.691 30.962 30.300 -0.049 0.000 1.025 121 R HN 0.180 nan 8.270 nan 0.000 0.469 122 I N -0.801 119.871 120.570 0.171 0.000 3.023 122 I HA 0.623 4.832 4.170 0.065 0.000 0.312 122 I C -2.226 173.960 176.117 0.114 0.000 1.056 122 I CA -3.009 58.382 61.300 0.152 0.000 1.033 122 I CB 1.714 39.842 38.000 0.213 0.000 1.233 122 I HN 0.227 nan 8.210 nan 0.000 0.462 123 P HA 0.130 nan 4.420 nan 0.000 0.271 123 P C -0.945 176.390 177.300 0.059 0.000 1.216 123 P CA -0.153 62.980 63.100 0.054 0.000 0.776 123 P CB 0.486 32.207 31.700 0.034 0.000 0.881 124 E N 2.684 122.920 120.200 0.061 0.000 2.369 124 E HA 0.186 4.575 4.350 0.065 0.000 0.255 124 E C -0.473 176.157 176.600 0.050 0.000 1.172 124 E CA -0.795 55.645 56.400 0.068 0.000 0.932 124 E CB 0.600 30.346 29.700 0.076 0.000 1.040 124 E HN 0.259 nan 8.360 nan 0.000 0.454 125 R N 0.677 121.212 120.500 0.059 0.000 2.623 125 R HA 0.001 4.381 4.340 0.065 0.000 0.271 125 R C 1.338 177.674 176.300 0.061 0.000 1.043 125 R CA -0.435 55.696 56.100 0.052 0.000 1.083 125 R CB 0.270 30.620 30.300 0.084 0.000 0.974 125 R HN 0.566 nan 8.270 nan 0.000 0.436 126 I N 1.832 122.432 120.570 0.050 0.000 2.208 126 I HA -0.151 4.058 4.170 0.065 0.000 0.245 126 I C 1.238 177.409 176.117 0.090 0.000 1.097 126 I CA 1.568 62.906 61.300 0.064 0.000 1.363 126 I CB -1.084 36.958 38.000 0.070 0.000 1.051 126 I HN 0.396 nan 8.210 nan 0.000 0.413 127 V N -3.385 116.617 119.914 0.147 0.000 3.102 127 V HA 0.516 4.675 4.120 0.065 0.000 0.312 127 V C 0.396 176.661 176.094 0.286 0.000 1.135 127 V CA -0.857 61.555 62.300 0.185 0.000 1.022 127 V CB 1.792 33.795 31.823 0.301 0.000 1.056 127 V HN 0.423 nan 8.190 nan 0.000 0.436 128 H N 0.224 119.360 119.070 0.110 0.000 2.862 128 H HA -0.211 4.384 4.556 0.065 0.000 0.290 128 H C 1.502 176.880 175.328 0.082 0.000 1.211 128 H CA 0.779 56.885 56.048 0.096 0.000 1.140 128 H CB -1.218 28.590 29.762 0.075 0.000 1.341 128 H HN 1.160 nan 8.280 nan 0.000 0.392 129 A N 0.701 123.612 122.820 0.152 0.000 2.015 129 A HA -0.088 4.271 4.320 0.065 0.000 0.219 129 A C 1.669 179.346 177.584 0.155 0.000 1.163 129 A CA 1.259 53.376 52.037 0.134 0.000 0.646 129 A CB -0.044 19.014 19.000 0.097 0.000 0.806 129 A HN 0.274 nan 8.150 nan 0.000 0.448 130 R N 0.115 120.707 120.500 0.154 0.000 2.207 130 R HA 0.527 4.906 4.340 0.065 0.000 0.334 130 R C -0.171 176.258 176.300 0.215 0.000 1.013 130 R CA 0.665 56.874 56.100 0.182 0.000 0.858 130 R CB 0.404 30.797 30.300 0.156 0.000 1.094 130 R HN 0.304 nan 8.270 nan 0.000 0.457 131 G N 0.812 109.766 108.800 0.256 0.000 2.673 131 G HA2 0.513 4.512 3.960 0.065 0.000 0.292 131 G HA3 0.513 4.512 3.960 0.065 0.000 0.292 131 G C -1.631 173.425 174.900 0.261 0.000 1.450 131 G CA -0.589 44.625 45.100 0.190 0.000 0.837 131 G HN 0.499 nan 8.290 nan 0.000 0.505 132 S N -1.050 114.740 115.700 0.150 0.000 2.547 132 S HA 0.888 5.397 4.470 0.065 0.000 0.281 132 S C -0.196 174.408 174.600 0.007 0.000 1.118 132 S CA -0.079 58.268 58.200 0.245 0.000 0.947 132 S CB 1.721 65.172 63.200 0.419 0.000 1.053 132 S HN 1.620 nan 8.310 nan 0.000 0.482 133 A N 1.621 124.412 122.820 -0.048 0.000 2.515 133 A HA 1.039 5.398 4.320 0.065 0.000 0.296 133 A C -0.975 176.416 177.584 -0.321 0.000 1.094 133 A CA -0.662 51.123 52.037 -0.420 0.000 0.718 133 A CB 1.636 20.218 19.000 -0.697 0.000 1.307 133 A HN 1.371 nan 8.150 nan 0.000 0.408 134 A N 0.417 122.888 122.820 -0.580 0.000 2.610 134 A HA 0.720 5.079 4.320 0.065 0.000 0.291 134 A C -1.114 176.268 177.584 -0.337 0.000 1.086 134 A CA -0.673 51.185 52.037 -0.298 0.000 0.677 134 A CB 0.701 19.611 19.000 -0.150 0.000 1.278 134 A HN 0.884 nan 8.150 nan 0.000 0.414 135 H N -0.335 118.770 119.070 0.059 0.000 2.505 135 H HA 0.680 5.275 4.556 0.065 0.000 0.355 135 H C 0.637 175.963 175.328 -0.004 0.000 1.179 135 H CA 0.901 57.028 56.048 0.131 0.000 1.343 135 H CB 1.759 31.590 29.762 0.115 0.000 1.501 135 H HN 1.181 nan 8.280 nan 0.000 0.569 136 G N 0.510 109.405 108.800 0.158 0.000 2.428 136 G HA2 0.341 4.340 3.960 0.065 0.000 0.305 136 G HA3 0.341 4.340 3.960 0.065 0.000 0.305 136 G C -2.083 172.929 174.900 0.187 0.000 1.260 136 G CA -0.678 44.468 45.100 0.076 0.000 0.853 136 G HN 0.624 nan 8.290 nan 0.000 0.480 137 Y N -1.657 118.679 120.300 0.061 0.000 2.597 137 Y HA 0.852 5.441 4.550 0.065 0.000 0.340 137 Y C -1.583 174.457 175.900 0.234 0.000 1.097 137 Y CA -2.015 56.165 58.100 0.134 0.000 1.037 137 Y CB 1.947 40.457 38.460 0.083 0.000 1.305 137 Y HN 0.845 nan 8.280 nan 0.000 0.463 138 F N 2.915 123.015 119.950 0.250 0.000 2.563 138 F HA 0.677 5.244 4.527 0.067 0.000 0.316 138 F C -1.420 174.586 175.800 0.344 0.000 1.076 138 F CA -0.568 57.586 58.000 0.257 0.000 0.921 138 F CB 2.200 41.480 39.000 0.467 0.000 1.209 138 F HN 0.809 nan 8.300 nan 0.000 0.462 139 Q N 5.481 124.781 119.800 -0.834 0.000 2.377 139 Q HA 0.588 4.967 4.340 0.065 0.000 0.279 139 Q C -3.318 171.999 176.000 -1.138 0.000 1.049 139 Q CA -2.288 53.073 55.803 -0.738 0.000 0.825 139 Q CB 2.856 31.501 28.738 -0.155 0.000 1.401 139 Q HN 0.335 nan 8.270 nan 0.000 0.404 140 P HA 0.062 nan 4.420 nan 0.000 0.276 140 P C -0.401 176.756 177.300 -0.239 0.000 1.244 140 P CA -0.164 62.677 63.100 -0.432 0.000 0.801 140 P CB 0.771 32.389 31.700 -0.136 0.000 1.006 141 Y N 0.354 120.596 120.300 -0.098 0.000 2.314 141 Y HA -0.025 4.565 4.550 0.066 0.000 0.294 141 Y C 1.488 177.361 175.900 -0.045 0.000 1.119 141 Y CA 0.450 58.514 58.100 -0.060 0.000 1.179 141 Y CB 0.333 38.767 38.460 -0.044 0.000 1.025 141 Y HN 0.365 nan 8.280 nan 0.000 0.541 142 K N -0.994 119.471 120.400 0.108 0.000 2.555 142 K HA 0.376 4.735 4.320 0.065 0.000 0.279 142 K C -0.897 175.708 176.600 0.008 0.000 0.986 142 K CA -0.922 55.395 56.287 0.050 0.000 0.880 142 K CB 1.604 34.135 32.500 0.051 0.000 1.474 142 K HN -0.244 nan 8.250 nan 0.000 0.433 143 S N 1.081 116.782 115.700 0.002 0.000 2.537 143 S HA 0.109 4.618 4.470 0.065 0.000 0.286 143 S C 0.466 175.055 174.600 -0.019 0.000 1.299 143 S CA -0.555 57.636 58.200 -0.014 0.000 1.067 143 S CB -0.178 63.018 63.200 -0.007 0.000 0.864 143 S HN 0.557 nan 8.310 nan 0.000 0.494 144 L N 4.753 125.954 121.223 -0.037 0.000 2.791 144 L HA 0.121 4.501 4.340 0.065 0.000 0.239 144 L C 1.930 178.784 176.870 -0.026 0.000 1.203 144 L CA -0.057 54.767 54.840 -0.026 0.000 1.002 144 L CB -0.310 41.733 42.059 -0.026 0.000 1.295 144 L HN 0.826 nan 8.230 nan 0.000 0.504 145 S N -1.995 113.689 115.700 -0.028 0.000 2.469 145 S HA -0.155 4.354 4.470 0.065 0.000 0.238 145 S C 1.249 175.833 174.600 -0.026 0.000 0.998 145 S CA 0.803 58.985 58.200 -0.030 0.000 0.957 145 S CB -0.132 63.055 63.200 -0.022 0.000 0.764 145 S HN 0.379 nan 8.310 nan 0.000 0.514 146 D N 2.102 122.491 120.400 -0.018 0.000 2.219 146 D HA 0.019 4.698 4.640 0.065 0.000 0.205 146 D C 1.819 178.105 176.300 -0.024 0.000 0.970 146 D CA 1.294 55.284 54.000 -0.017 0.000 0.851 146 D CB -0.151 40.645 40.800 -0.008 0.000 0.943 146 D HN 0.772 nan 8.370 nan 0.000 0.488 147 I N -4.122 116.435 120.570 -0.022 0.000 4.139 147 I HA 0.211 4.420 4.170 0.065 0.000 0.320 147 I C 0.484 176.564 176.117 -0.062 0.000 1.290 147 I CA 0.067 61.347 61.300 -0.034 0.000 1.253 147 I CB 1.087 39.087 38.000 0.000 0.000 1.122 147 I HN -0.254 nan 8.210 nan 0.000 0.421 148 T N 1.653 116.173 114.554 -0.056 0.000 2.956 148 T HA 0.326 4.715 4.350 0.065 0.000 0.312 148 T C 0.017 174.668 174.700 -0.082 0.000 1.151 148 T CA -0.724 61.324 62.100 -0.087 0.000 1.024 148 T CB 1.791 70.599 68.868 -0.101 0.000 1.140 148 T HN 0.425 nan 8.240 nan 0.000 0.473 149 K N 2.524 122.875 120.400 -0.082 0.000 2.417 149 K HA 0.544 4.903 4.320 0.065 0.000 0.196 149 K C 0.755 177.321 176.600 -0.058 0.000 1.023 149 K CA -0.315 55.935 56.287 -0.061 0.000 1.122 149 K CB 0.188 32.657 32.500 -0.051 0.000 0.850 149 K HN 0.508 nan 8.250 nan 0.000 0.521 150 A N 2.244 125.009 122.820 -0.092 0.000 2.561 150 A HA -0.090 4.269 4.320 0.065 0.000 0.251 150 A C 0.598 178.149 177.584 -0.054 0.000 1.062 150 A CA 0.269 52.261 52.037 -0.075 0.000 0.761 150 A CB -0.020 18.866 19.000 -0.190 0.000 0.986 150 A HN 0.495 nan 8.150 nan 0.000 0.510 151 D N 2.131 122.573 120.400 0.070 0.000 2.178 151 D HA -0.209 4.470 4.640 0.065 0.000 0.201 151 D C 1.336 177.714 176.300 0.131 0.000 0.980 151 D CA 2.089 56.142 54.000 0.090 0.000 0.842 151 D CB -0.232 40.643 40.800 0.125 0.000 0.948 151 D HN 0.738 nan 8.370 nan 0.000 0.472 152 F N -0.683 119.295 119.950 0.047 0.000 2.641 152 F HA 0.159 4.726 4.527 0.066 0.000 0.298 152 F C 0.996 176.895 175.800 0.166 0.000 1.146 152 F CA 0.376 58.447 58.000 0.119 0.000 1.464 152 F CB -0.181 38.890 39.000 0.120 0.000 1.101 152 F HN -0.064 nan 8.300 nan 0.000 0.585 153 L N 0.764 121.697 121.223 -0.484 0.000 2.857 153 L HA 0.200 4.580 4.340 0.065 0.000 0.249 153 L C 1.825 178.606 176.870 -0.148 0.000 1.172 153 L CA 0.330 54.949 54.840 -0.368 0.000 0.980 153 L CB -0.008 41.719 42.059 -0.554 0.000 1.299 153 L HN 0.331 nan 8.230 nan 0.000 0.535 154 S N -2.600 113.056 115.700 -0.074 0.000 2.503 154 S HA 0.062 4.571 4.470 0.065 0.000 0.215 154 S C 0.396 174.990 174.600 -0.009 0.000 1.003 154 S CA -0.159 58.020 58.200 -0.036 0.000 0.910 154 S CB 0.240 63.433 63.200 -0.013 0.000 0.790 154 S HN 0.317 nan 8.310 nan 0.000 0.514 155 D N 0.982 121.386 120.400 0.006 0.000 2.890 155 D HA 0.344 5.023 4.640 0.065 0.000 0.233 155 D C -2.529 173.779 176.300 0.014 0.000 1.306 155 D CA -1.974 52.035 54.000 0.016 0.000 0.929 155 D CB 2.236 43.054 40.800 0.030 0.000 1.512 155 D HN -0.137 nan 8.370 nan 0.000 0.568 156 P HA -0.031 nan 4.420 nan 0.000 0.228 156 P C 0.258 177.567 177.300 0.015 0.000 1.151 156 P CA 0.589 63.694 63.100 0.008 0.000 0.770 156 P CB 0.421 32.140 31.700 0.032 0.000 0.786 157 N N -0.439 118.275 118.700 0.024 0.000 2.214 157 N HA 0.079 4.858 4.740 0.065 0.000 0.214 157 N C 0.225 175.759 175.510 0.041 0.000 1.132 157 N CA 0.017 53.084 53.050 0.028 0.000 0.856 157 N CB 0.629 39.130 38.487 0.024 0.000 1.020 157 N HN 0.238 nan 8.380 nan 0.000 0.509 158 K N 1.469 121.903 120.400 0.057 0.000 2.262 158 K HA 0.363 4.722 4.320 0.065 0.000 0.282 158 K C -0.090 176.591 176.600 0.134 0.000 1.066 158 K CA -0.212 56.130 56.287 0.092 0.000 0.901 158 K CB 1.586 34.149 32.500 0.105 0.000 1.089 158 K HN -0.029 nan 8.250 nan 0.000 0.476 159 I N 2.736 123.385 120.570 0.132 0.000 2.365 159 I HA 0.111 4.320 4.170 0.065 0.000 0.291 159 I C 0.111 176.385 176.117 0.262 0.000 1.004 159 I CA -0.171 61.238 61.300 0.180 0.000 1.311 159 I CB 1.611 39.663 38.000 0.086 0.000 1.401 159 I HN 0.438 nan 8.210 nan 0.000 0.491 160 T N 7.522 122.316 114.554 0.401 0.000 2.786 160 T HA 0.351 4.741 4.350 0.065 0.000 0.283 160 T C -2.477 172.484 174.700 0.434 0.000 0.992 160 T CA -1.382 60.985 62.100 0.446 0.000 0.954 160 T CB 1.709 70.967 68.868 0.650 0.000 0.934 160 T HN 0.263 nan 8.240 nan 0.000 0.440 161 P HA 0.271 nan 4.420 nan 0.000 0.271 161 P C -0.652 176.895 177.300 0.410 0.000 1.218 161 P CA -0.436 62.861 63.100 0.328 0.000 0.780 161 P CB 0.550 32.361 31.700 0.184 0.000 0.901 162 V N 0.225 120.315 119.914 0.294 0.000 3.001 162 V HA 0.741 4.900 4.120 0.065 0.000 0.314 162 V C -1.291 174.963 176.094 0.267 0.000 1.099 162 V CA -0.976 61.401 62.300 0.128 0.000 0.989 162 V CB 2.191 33.876 31.823 -0.231 0.000 1.040 162 V HN 0.322 nan 8.190 nan 0.000 0.434 163 F N 2.431 122.372 119.950 -0.015 0.000 2.539 163 F HA 0.838 5.404 4.527 0.064 0.000 0.318 163 F C -0.868 174.830 175.800 -0.169 0.000 1.135 163 F CA -0.769 57.156 58.000 -0.125 0.000 0.915 163 F CB 1.952 40.905 39.000 -0.079 0.000 1.176 163 F HN 0.532 nan 8.300 nan 0.000 0.440 164 V N 6.647 126.080 119.914 -0.801 0.000 2.555 164 V HA 0.575 4.734 4.120 0.065 0.000 0.302 164 V C -0.656 174.757 176.094 -1.135 0.000 1.038 164 V CA -0.842 60.926 62.300 -0.886 0.000 0.887 164 V CB 1.979 33.228 31.823 -0.957 0.000 0.991 164 V HN 0.743 nan 8.190 nan 0.000 0.434 165 R N 3.405 123.244 120.500 -1.103 0.000 2.480 165 R HA 0.615 4.994 4.340 0.065 0.000 0.306 165 R C -1.634 174.041 176.300 -1.041 0.000 0.958 165 R CA -0.440 55.098 56.100 -0.937 0.000 0.861 165 R CB 1.181 31.114 30.300 -0.611 0.000 1.171 165 R HN 0.552 nan 8.270 nan 0.000 0.445 166 F N 1.930 121.448 119.950 -0.721 0.000 2.425 166 F HA 0.487 5.054 4.527 0.067 0.000 0.331 166 F C 0.456 175.879 175.800 -0.628 0.000 1.085 166 F CA -0.242 57.209 58.000 -0.913 0.000 1.028 166 F CB 2.125 40.066 39.000 -1.764 0.000 1.177 166 F HN 0.568 nan 8.300 nan 0.000 0.487 167 S N -0.876 114.743 115.700 -0.135 0.000 2.596 167 S HA 0.665 5.174 4.470 0.065 0.000 0.270 167 S C -0.501 174.251 174.600 0.253 0.000 1.155 167 S CA -0.885 57.390 58.200 0.125 0.000 0.827 167 S CB 1.426 64.754 63.200 0.213 0.000 1.130 167 S HN 0.711 nan 8.310 nan 0.000 0.467 168 T N -1.308 113.392 114.554 0.243 0.000 2.865 168 T HA 0.645 5.034 4.350 0.065 0.000 0.302 168 T C 0.865 175.542 174.700 -0.039 0.000 1.078 168 T CA -0.091 62.109 62.100 0.166 0.000 0.942 168 T CB 0.153 69.121 68.868 0.167 0.000 1.387 168 T HN 0.586 nan 8.240 nan 0.000 0.557 169 V N -0.083 119.764 119.914 -0.112 0.000 2.948 169 V HA 0.133 4.292 4.120 0.065 0.000 0.234 169 V C 2.722 178.741 176.094 -0.126 0.000 1.205 169 V CA 0.350 62.455 62.300 -0.325 0.000 1.234 169 V CB -0.379 31.330 31.823 -0.191 0.000 1.020 169 V HN 0.866 nan 8.190 nan 0.000 0.491 170 Q N 1.126 120.891 119.800 -0.059 0.000 2.123 170 Q HA 0.092 4.471 4.340 0.065 0.000 0.196 170 Q C 1.241 177.219 176.000 -0.037 0.000 0.958 170 Q CA 1.247 57.013 55.803 -0.061 0.000 0.841 170 Q CB -0.055 28.634 28.738 -0.083 0.000 0.915 170 Q HN 0.583 nan 8.270 nan 0.000 0.455 171 G N 0.010 108.803 108.800 -0.012 0.000 2.539 171 G HA2 0.409 4.408 3.960 0.065 0.000 0.258 171 G HA3 0.409 4.408 3.960 0.065 0.000 0.258 171 G C 0.106 175.016 174.900 0.017 0.000 1.202 171 G CA 0.067 45.166 45.100 -0.002 0.000 0.851 171 G HN 0.312 nan 8.290 nan 0.000 0.556 172 G N -0.900 107.905 108.800 0.009 0.000 2.684 172 G HA2 0.467 4.467 3.960 0.065 0.000 0.255 172 G HA3 0.467 4.467 3.960 0.065 0.000 0.255 172 G C 1.354 176.286 174.900 0.053 0.000 1.219 172 G CA 0.426 45.541 45.100 0.026 0.000 0.901 172 G HN 1.099 nan 8.290 nan 0.000 0.548 173 A N -0.348 122.514 122.820 0.071 0.000 2.024 173 A HA 0.093 4.453 4.320 0.065 0.000 0.220 173 A C 2.151 179.778 177.584 0.070 0.000 1.164 173 A CA 1.983 54.082 52.037 0.103 0.000 0.643 173 A CB -0.340 18.738 19.000 0.131 0.000 0.806 173 A HN 1.199 nan 8.150 nan 0.000 0.451 174 G N -0.153 108.669 108.800 0.037 0.000 3.523 174 G HA2 0.375 4.374 3.960 0.065 0.000 0.270 174 G HA3 0.375 4.374 3.960 0.065 0.000 0.270 174 G C 0.552 175.457 174.900 0.008 0.000 1.134 174 G CA 0.613 45.720 45.100 0.011 0.000 0.825 174 G HN 0.631 nan 8.290 nan 0.000 0.534 175 S N -0.334 115.380 115.700 0.022 0.000 2.686 175 S HA 0.787 5.297 4.470 0.065 0.000 0.270 175 S C 0.431 175.049 174.600 0.030 0.000 1.194 175 S CA -0.153 58.057 58.200 0.016 0.000 0.990 175 S CB 1.691 64.903 63.200 0.019 0.000 1.029 175 S HN 0.556 nan 8.310 nan 0.000 0.560 176 A N -0.026 122.808 122.820 0.024 0.000 2.279 176 A HA 0.496 4.855 4.320 0.065 0.000 0.303 176 A C 0.503 178.116 177.584 0.048 0.000 1.108 176 A CA -0.621 51.428 52.037 0.020 0.000 0.830 176 A CB 0.037 19.031 19.000 -0.010 0.000 1.106 176 A HN 0.844 nan 8.150 nan 0.000 0.493 177 D N 0.288 120.706 120.400 0.031 0.000 2.120 177 D HA -0.057 4.622 4.640 0.065 0.000 0.202 177 D C 1.617 177.909 176.300 -0.014 0.000 0.972 177 D CA 2.239 56.272 54.000 0.055 0.000 0.837 177 D CB -0.238 40.547 40.800 -0.024 0.000 0.989 177 D HN 0.671 nan 8.370 nan 0.000 0.469 178 T N -0.043 114.419 114.554 -0.153 0.000 3.406 178 T HA 0.271 4.660 4.350 0.065 0.000 0.244 178 T C 0.821 175.519 174.700 -0.004 0.000 0.949 178 T CA -0.557 61.450 62.100 -0.155 0.000 0.926 178 T CB -1.019 67.683 68.868 -0.277 0.000 1.089 178 T HN -0.089 nan 8.240 nan 0.000 0.604 179 V N -1.299 118.663 119.914 0.080 0.000 3.319 179 V HA 0.447 4.606 4.120 0.065 0.000 0.303 179 V C 0.724 176.965 176.094 0.246 0.000 1.094 179 V CA -1.468 60.928 62.300 0.160 0.000 1.106 179 V CB 0.416 32.317 31.823 0.131 0.000 1.099 179 V HN 0.542 nan 8.190 nan 0.000 0.476 180 R N 1.561 122.257 120.500 0.326 0.000 2.248 180 R HA 0.463 4.842 4.340 0.065 0.000 0.328 180 R C -0.991 175.389 176.300 0.133 0.000 1.067 180 R CA -0.022 56.214 56.100 0.227 0.000 0.924 180 R CB 0.114 30.469 30.300 0.091 0.000 1.013 180 R HN 1.054 nan 8.270 nan 0.000 0.454 181 D N 3.365 123.855 120.400 0.150 0.000 2.694 181 D HA 0.167 4.846 4.640 0.065 0.000 0.260 181 D C -0.520 175.893 176.300 0.188 0.000 1.250 181 D CA -0.615 53.464 54.000 0.132 0.000 0.763 181 D CB 1.185 42.055 40.800 0.117 0.000 1.311 181 D HN 0.220 nan 8.370 nan 0.000 0.420 182 I N 1.355 122.055 120.570 0.216 0.000 2.938 182 I HA 0.187 4.396 4.170 0.065 0.000 0.285 182 I C 0.904 177.164 176.117 0.237 0.000 1.182 182 I CA 0.053 61.492 61.300 0.232 0.000 1.388 182 I CB -0.047 38.118 38.000 0.275 0.000 1.390 182 I HN 0.249 nan 8.210 nan 0.000 0.600 183 R N 2.601 123.265 120.500 0.272 0.000 2.637 183 R HA 0.562 4.941 4.340 0.065 0.000 0.291 183 R C -0.079 176.419 176.300 0.331 0.000 0.963 183 R CA -0.767 55.514 56.100 0.303 0.000 0.901 183 R CB 1.497 32.001 30.300 0.341 0.000 1.160 183 R HN 0.807 nan 8.270 nan 0.000 0.457 184 G N 0.959 109.973 108.800 0.357 0.000 2.420 184 G HA2 0.477 4.476 3.960 0.065 0.000 0.284 184 G HA3 0.477 4.476 3.960 0.065 0.000 0.284 184 G C -1.252 173.734 174.900 0.143 0.000 1.177 184 G CA -0.039 45.237 45.100 0.294 0.000 0.841 184 G HN 0.359 nan 8.290 nan 0.000 0.527 185 F N 1.938 121.782 119.950 -0.177 0.000 3.090 185 F HA 0.629 5.195 4.527 0.064 0.000 0.381 185 F C -0.301 175.192 175.800 -0.512 0.000 1.231 185 F CA -1.902 55.887 58.000 -0.350 0.000 1.177 185 F CB 0.883 39.812 39.000 -0.117 0.000 1.598 185 F HN 0.671 nan 8.300 nan 0.000 0.589 186 A N 3.282 125.832 122.820 -0.450 0.000 2.304 186 A HA 0.790 5.149 4.320 0.065 0.000 0.323 186 A C -0.538 176.610 177.584 -0.727 0.000 1.195 186 A CA -0.418 51.185 52.037 -0.722 0.000 0.826 186 A CB 0.796 19.002 19.000 -1.323 0.000 1.184 186 A HN 0.540 nan 8.150 nan 0.000 0.496 187 T N 2.313 116.603 114.554 -0.439 0.000 2.809 187 T HA 0.389 4.778 4.350 0.065 0.000 0.284 187 T C -0.355 174.154 174.700 -0.319 0.000 0.992 187 T CA -0.480 61.357 62.100 -0.438 0.000 0.957 187 T CB 1.063 69.599 68.868 -0.554 0.000 0.942 187 T HN 0.638 nan 8.240 nan 0.000 0.439 188 K N 3.535 123.816 120.400 -0.198 0.000 2.263 188 K HA 0.449 4.808 4.320 0.065 0.000 0.272 188 K C -1.270 174.987 176.600 -0.572 0.000 1.033 188 K CA -0.579 55.493 56.287 -0.359 0.000 0.884 188 K CB 0.327 32.557 32.500 -0.449 0.000 1.107 188 K HN 0.392 nan 8.250 nan 0.000 0.460 189 F N 4.209 123.860 119.950 -0.499 0.000 2.391 189 F HA 0.237 4.802 4.527 0.063 0.000 0.359 189 F C -0.411 175.180 175.800 -0.348 0.000 1.122 189 F CA -0.564 57.218 58.000 -0.362 0.000 1.120 189 F CB 0.725 39.421 39.000 -0.508 0.000 1.142 189 F HN 0.447 nan 8.300 nan 0.000 0.483 190 Y N 1.887 122.250 120.300 0.105 0.000 2.714 190 Y HA 0.219 4.808 4.550 0.065 0.000 0.333 190 Y C 0.991 176.952 175.900 0.103 0.000 1.220 190 Y CA -0.852 57.289 58.100 0.068 0.000 1.513 190 Y CB -0.064 38.425 38.460 0.048 0.000 1.435 190 Y HN 0.546 nan 8.280 nan 0.000 0.489 191 T N -2.384 112.270 114.554 0.167 0.000 2.847 191 T HA 0.159 4.548 4.350 0.065 0.000 0.279 191 T C 1.030 175.827 174.700 0.161 0.000 0.984 191 T CA -0.687 61.518 62.100 0.175 0.000 0.988 191 T CB 1.064 70.010 68.868 0.129 0.000 1.040 191 T HN 0.646 nan 8.240 nan 0.000 0.528 192 E N 0.133 120.432 120.200 0.165 0.000 2.409 192 E HA -0.057 4.332 4.350 0.065 0.000 0.198 192 E C 1.069 177.738 176.600 0.114 0.000 1.024 192 E CA 0.754 57.233 56.400 0.131 0.000 0.861 192 E CB 0.118 29.891 29.700 0.121 0.000 0.788 192 E HN 0.739 nan 8.360 nan 0.000 0.521 193 E N 0.195 120.466 120.200 0.119 0.000 2.651 193 E HA 0.252 4.641 4.350 0.065 0.000 0.208 193 E C 0.189 176.841 176.600 0.086 0.000 0.997 193 E CA -0.192 56.270 56.400 0.103 0.000 1.020 193 E CB 1.232 30.997 29.700 0.107 0.000 1.052 193 E HN 0.188 nan 8.360 nan 0.000 0.465 194 G N 1.124 109.971 108.800 0.077 0.000 2.381 194 G HA2 -0.115 3.884 3.960 0.065 0.000 0.672 194 G HA3 -0.115 3.884 3.960 0.065 0.000 0.672 194 G C -0.926 173.984 174.900 0.018 0.000 1.324 194 G CA -1.111 44.013 45.100 0.039 0.000 0.975 194 G HN 0.026 nan 8.290 nan 0.000 0.593 195 I N 0.697 121.241 120.570 -0.043 0.000 2.471 195 I HA 0.384 4.594 4.170 0.065 0.000 0.286 195 I C 0.048 176.168 176.117 0.005 0.000 1.079 195 I CA 0.023 61.266 61.300 -0.094 0.000 1.398 195 I CB 0.728 38.600 38.000 -0.213 0.000 1.403 195 I HN 0.466 nan 8.210 nan 0.000 0.530 196 F N 6.774 126.613 119.950 -0.184 0.000 2.449 196 F HA 0.456 5.021 4.527 0.063 0.000 0.342 196 F C -0.571 175.186 175.800 -0.072 0.000 1.127 196 F CA -1.185 56.705 58.000 -0.182 0.000 0.975 196 F CB 0.866 39.597 39.000 -0.448 0.000 1.146 196 F HN 0.337 nan 8.300 nan 0.000 0.444 197 D N 6.774 126.951 120.400 -0.371 0.000 2.303 197 D HA 0.259 4.938 4.640 0.065 0.000 0.236 197 D C -0.757 175.061 176.300 -0.804 0.000 1.068 197 D CA 0.009 53.754 54.000 -0.424 0.000 0.830 197 D CB 2.198 42.942 40.800 -0.092 0.000 1.109 197 D HN 0.640 nan 8.370 nan 0.000 0.496 198 L N 3.273 123.972 121.223 -0.873 0.000 2.264 198 L HA 0.326 4.705 4.340 0.065 0.000 0.287 198 L C -0.999 175.629 176.870 -0.404 0.000 1.039 198 L CA -0.618 53.783 54.840 -0.732 0.000 0.829 198 L CB 0.806 42.453 42.059 -0.685 0.000 1.211 198 L HN 0.049 nan 8.230 nan 0.000 0.427 199 V N 5.699 125.417 119.914 -0.326 0.000 2.257 199 V HA 0.505 4.664 4.120 0.065 0.000 0.269 199 V C 0.742 176.720 176.094 -0.195 0.000 1.040 199 V CA -0.302 61.820 62.300 -0.297 0.000 0.813 199 V CB 0.610 32.219 31.823 -0.357 0.000 1.065 199 V HN 0.853 nan 8.190 nan 0.000 0.457 200 G N 3.121 111.821 108.800 -0.167 0.000 2.887 200 G HA2 0.682 4.681 3.960 0.065 0.000 0.277 200 G HA3 0.682 4.681 3.960 0.065 0.000 0.277 200 G C -0.921 173.988 174.900 0.015 0.000 1.346 200 G CA -0.573 44.482 45.100 -0.074 0.000 1.058 200 G HN 0.481 nan 8.290 nan 0.000 0.535 201 N N -1.141 117.618 118.700 0.098 0.000 2.697 201 N HA 0.240 5.019 4.740 0.065 0.000 0.272 201 N C 0.336 176.019 175.510 0.288 0.000 1.381 201 N CA -0.744 52.427 53.050 0.201 0.000 0.797 201 N CB 1.498 40.088 38.487 0.172 0.000 1.523 201 N HN 0.504 nan 8.380 nan 0.000 0.518 202 N N -1.358 117.535 118.700 0.322 0.000 2.322 202 N HA -0.010 4.769 4.740 0.065 0.000 0.194 202 N C -0.393 175.366 175.510 0.415 0.000 1.126 202 N CA 0.002 53.296 53.050 0.408 0.000 0.845 202 N CB -0.147 38.560 38.487 0.367 0.000 0.976 202 N HN 0.569 nan 8.380 nan 0.000 0.475 203 T N -3.725 110.874 114.554 0.074 0.000 2.916 203 T HA 0.478 4.867 4.350 0.065 0.000 0.292 203 T C -2.642 171.422 174.700 -1.059 0.000 1.064 203 T CA -1.622 60.082 62.100 -0.660 0.000 1.011 203 T CB 2.883 71.249 68.868 -0.838 0.000 1.152 203 T HN -0.226 nan 8.240 nan 0.000 0.510 204 P HA 0.241 nan 4.420 nan 0.000 0.257 204 P C 0.228 177.024 177.300 -0.840 0.000 1.281 204 P CA -0.036 62.191 63.100 -1.457 0.000 0.826 204 P CB -0.085 30.684 31.700 -1.551 0.000 1.237 205 I N -4.189 115.860 120.570 -0.868 0.000 3.343 205 I HA 0.568 4.777 4.170 0.065 0.000 0.315 205 I C -1.403 174.462 176.117 -0.420 0.000 1.153 205 I CA -2.143 58.801 61.300 -0.594 0.000 0.952 205 I CB 1.273 38.890 38.000 -0.638 0.000 1.287 205 I HN -0.233 nan 8.210 nan 0.000 0.472 206 F N 0.122 119.792 119.950 -0.466 0.000 2.639 206 F HA 0.512 5.079 4.527 0.067 0.000 0.339 206 F C 0.323 175.868 175.800 -0.424 0.000 1.071 206 F CA -0.802 56.950 58.000 -0.413 0.000 0.994 206 F CB 2.012 40.914 39.000 -0.163 0.000 1.341 206 F HN 0.369 nan 8.300 nan 0.000 0.498 207 F N 2.214 121.422 119.950 -1.235 0.000 2.325 207 F HA 0.051 4.617 4.527 0.064 0.000 0.299 207 F C 0.619 176.129 175.800 -0.484 0.000 1.090 207 F CA 0.743 58.187 58.000 -0.928 0.000 1.392 207 F CB -0.146 37.896 39.000 -1.596 0.000 1.053 207 F HN 0.134 nan 8.300 nan 0.000 0.521 208 I N -3.674 116.872 120.570 -0.040 0.000 3.042 208 I HA 0.374 4.583 4.170 0.065 0.000 0.310 208 I C 0.350 176.625 176.117 0.263 0.000 1.117 208 I CA -0.848 60.550 61.300 0.163 0.000 1.003 208 I CB 1.903 40.069 38.000 0.275 0.000 1.228 208 I HN -0.203 nan 8.210 nan 0.000 0.443 209 Q N 0.249 120.201 119.800 0.252 0.000 2.324 209 Q HA 0.158 4.537 4.340 0.065 0.000 0.207 209 Q C -0.319 175.853 176.000 0.286 0.000 0.928 209 Q CA 0.634 56.622 55.803 0.308 0.000 0.890 209 Q CB 0.537 29.517 28.738 0.403 0.000 1.001 209 Q HN 0.636 nan 8.270 nan 0.000 0.517 210 D N -1.089 119.454 120.400 0.239 0.000 2.505 210 D HA 0.305 4.984 4.640 0.065 0.000 0.249 210 D C 0.043 176.471 176.300 0.213 0.000 1.082 210 D CA -0.182 53.928 54.000 0.183 0.000 0.839 210 D CB 1.855 42.738 40.800 0.139 0.000 1.317 210 D HN 0.051 nan 8.370 nan 0.000 0.497 211 A N 3.401 126.315 122.820 0.158 0.000 2.032 211 A HA -0.261 4.098 4.320 0.065 0.000 0.221 211 A C 1.794 179.501 177.584 0.206 0.000 1.165 211 A CA 1.817 53.942 52.037 0.148 0.000 0.645 211 A CB -0.775 18.254 19.000 0.049 0.000 0.807 211 A HN 0.818 nan 8.150 nan 0.000 0.453 212 H N -0.032 119.099 119.070 0.102 0.000 2.457 212 H HA -0.019 4.574 4.556 0.063 0.000 0.297 212 H C 1.648 177.057 175.328 0.135 0.000 1.092 212 H CA 1.901 58.004 56.048 0.091 0.000 1.309 212 H CB 0.030 29.821 29.762 0.048 0.000 1.382 212 H HN 0.437 nan 8.280 nan 0.000 0.535 213 K N -0.656 119.876 120.400 0.219 0.000 2.444 213 K HA -0.052 4.307 4.320 0.065 0.000 0.193 213 K C 1.502 178.247 176.600 0.240 0.000 1.024 213 K CA 0.132 56.548 56.287 0.216 0.000 1.077 213 K CB 0.018 32.701 32.500 0.304 0.000 0.833 213 K HN 0.294 nan 8.250 nan 0.000 0.517 214 F N 2.856 122.869 119.950 0.106 0.000 2.095 214 F HA -0.161 4.405 4.527 0.065 0.000 0.298 214 F C -1.004 174.810 175.800 0.024 0.000 1.104 214 F CA 1.393 59.480 58.000 0.145 0.000 1.232 214 F CB -0.402 38.670 39.000 0.119 0.000 0.987 214 F HN 0.022 nan 8.300 nan 0.000 0.475 215 P HA -0.109 nan 4.420 nan 0.000 0.221 215 P C 0.944 177.928 177.300 -0.528 0.000 1.150 215 P CA 1.502 64.373 63.100 -0.382 0.000 0.800 215 P CB -0.044 31.441 31.700 -0.359 0.000 0.787 216 D N -1.112 119.124 120.400 -0.273 0.000 2.084 216 D HA -0.157 4.522 4.640 0.065 0.000 0.196 216 D C 1.786 177.785 176.300 -0.501 0.000 0.985 216 D CA 1.062 54.938 54.000 -0.207 0.000 0.826 216 D CB -0.818 40.039 40.800 0.096 0.000 0.978 216 D HN 0.149 nan 8.370 nan 0.000 0.456 217 F N 2.011 121.547 119.950 -0.690 0.000 2.069 217 F HA -0.241 4.324 4.527 0.064 0.000 0.298 217 F C 2.305 177.711 175.800 -0.657 0.000 1.113 217 F CA 1.229 58.622 58.000 -1.012 0.000 1.214 217 F CB -0.281 38.358 39.000 -0.602 0.000 0.978 217 F HN -0.251 nan 8.300 nan 0.000 0.474 218 V N 0.360 119.819 119.914 -0.760 0.000 2.343 218 V HA -0.356 3.803 4.120 0.065 0.000 0.247 218 V C 2.291 178.139 176.094 -0.410 0.000 1.051 218 V CA 2.497 64.402 62.300 -0.657 0.000 1.036 218 V CB -1.100 30.375 31.823 -0.579 0.000 0.654 218 V HN 0.489 nan 8.190 nan 0.000 0.451 219 H N -0.317 118.508 119.070 -0.408 0.000 2.387 219 H HA -0.115 4.480 4.556 0.065 0.000 0.299 219 H C 2.325 177.493 175.328 -0.267 0.000 1.090 219 H CA 1.016 56.909 56.048 -0.259 0.000 1.332 219 H CB 0.027 29.693 29.762 -0.160 0.000 1.386 219 H HN 0.491 nan 8.280 nan 0.000 0.516 220 A N 0.458 123.094 122.820 -0.307 0.000 1.898 220 A HA -0.108 4.251 4.320 0.065 0.000 0.216 220 A C 2.495 179.916 177.584 -0.271 0.000 1.181 220 A CA 1.302 53.161 52.037 -0.296 0.000 0.620 220 A CB -0.722 17.977 19.000 -0.502 0.000 0.819 220 A HN 0.299 nan 8.150 nan 0.000 0.442 221 V N -0.105 119.494 119.914 -0.526 0.000 2.719 221 V HA -0.022 4.137 4.120 0.065 0.000 0.252 221 V C 0.951 176.994 176.094 -0.084 0.000 1.065 221 V CA 0.925 62.999 62.300 -0.377 0.000 1.086 221 V CB -0.509 30.892 31.823 -0.704 0.000 0.700 221 V HN 0.339 nan 8.190 nan 0.000 0.467 222 K N 0.880 121.206 120.400 -0.123 0.000 2.187 222 K HA 0.215 4.575 4.320 0.065 0.000 0.247 222 K C -2.279 174.273 176.600 -0.080 0.000 1.019 222 K CA -1.613 54.620 56.287 -0.090 0.000 0.893 222 K CB -0.352 32.088 32.500 -0.100 0.000 1.025 222 K HN 0.158 nan 8.250 nan 0.000 0.500 223 P HA -0.025 nan 4.420 nan 0.000 0.265 223 P C -0.562 176.674 177.300 -0.108 0.000 1.193 223 P CA 0.427 63.392 63.100 -0.225 0.000 0.765 223 P CB 0.332 31.908 31.700 -0.206 0.000 0.823 224 E N 5.470 125.648 120.200 -0.035 0.000 2.392 224 E HA -0.018 4.372 4.350 0.065 0.000 0.264 224 E C -1.273 175.381 176.600 0.090 0.000 1.024 224 E CA -1.245 55.234 56.400 0.133 0.000 0.903 224 E CB 0.107 30.012 29.700 0.342 0.000 0.963 224 E HN 0.423 nan 8.360 nan 0.000 0.432 225 P HA -0.192 nan 4.420 nan 0.000 0.222 225 P C 1.030 178.385 177.300 0.093 0.000 1.153 225 P CA 1.309 64.436 63.100 0.046 0.000 0.798 225 P CB 0.022 31.734 31.700 0.020 0.000 0.796 226 H N -0.692 118.416 119.070 0.063 0.000 2.326 226 H HA -0.090 4.505 4.556 0.065 0.000 0.301 226 H C 1.415 176.841 175.328 0.165 0.000 1.081 226 H CA 1.492 57.567 56.048 0.046 0.000 1.334 226 H CB -1.294 28.426 29.762 -0.071 0.000 1.385 226 H HN 0.298 nan 8.280 nan 0.000 0.504 227 W N -0.043 120.878 121.300 -0.631 0.000 2.870 227 W HA 0.697 5.396 4.660 0.064 0.000 0.358 227 W C 0.471 176.820 176.519 -0.283 0.000 1.043 227 W CA -1.174 55.936 57.345 -0.392 0.000 1.692 227 W CB -0.765 28.460 29.460 -0.391 0.000 1.100 227 W HN 0.431 nan 8.180 nan 0.000 0.557 228 A N 1.390 124.180 122.820 -0.050 0.000 2.610 228 A HA -0.156 4.203 4.320 0.065 0.000 0.299 228 A C -0.388 176.965 177.584 -0.386 0.000 1.487 228 A CA 1.495 53.427 52.037 -0.174 0.000 0.743 228 A CB -2.385 16.541 19.000 -0.124 0.000 1.070 228 A HN 0.473 nan 8.150 nan 0.000 0.439 229 I N 0.631 120.824 120.570 -0.629 0.000 2.647 229 I HA 0.552 4.761 4.170 0.065 0.000 0.295 229 I C -2.456 173.348 176.117 -0.522 0.000 1.078 229 I CA -2.354 58.474 61.300 -0.786 0.000 1.048 229 I CB 3.013 40.043 38.000 -1.617 0.000 1.239 229 I HN 0.219 nan 8.210 nan 0.000 0.421 230 P HA 0.326 nan 4.420 nan 0.000 0.292 230 P C -1.634 175.506 177.300 -0.267 0.000 1.308 230 P CA -0.868 62.011 63.100 -0.368 0.000 0.933 230 P CB 1.789 33.350 31.700 -0.232 0.000 1.217 231 Q N 0.580 120.268 119.800 -0.187 0.000 2.267 231 Q HA 0.493 4.872 4.340 0.065 0.000 0.255 231 Q C 1.069 177.033 176.000 -0.060 0.000 0.923 231 Q CA 1.026 56.757 55.803 -0.120 0.000 0.925 231 Q CB -0.233 28.445 28.738 -0.101 0.000 1.195 231 Q HN 0.821 nan 8.270 nan 0.000 0.417 232 G N 3.138 111.913 108.800 -0.042 0.000 2.160 232 G HA2 -0.281 3.718 3.960 0.065 0.000 0.251 232 G HA3 -0.281 3.718 3.960 0.065 0.000 0.251 232 G C -0.421 174.495 174.900 0.026 0.000 1.008 232 G CA 0.482 45.583 45.100 0.002 0.000 0.724 232 G HN 0.539 nan 8.290 nan 0.000 0.514 233 Q N -1.011 118.790 119.800 0.003 0.000 2.284 233 Q HA 0.525 4.904 4.340 0.065 0.000 0.269 233 Q C 0.715 176.729 176.000 0.024 0.000 1.026 233 Q CA -0.094 55.738 55.803 0.048 0.000 0.831 233 Q CB 1.760 30.569 28.738 0.118 0.000 1.322 233 Q HN 0.461 nan 8.270 nan 0.000 0.419 234 S N -0.423 115.185 115.700 -0.153 0.000 2.593 234 S HA 0.192 4.701 4.470 0.065 0.000 0.217 234 S C 0.880 175.395 174.600 -0.142 0.000 0.966 234 S CA 0.019 57.880 58.200 -0.565 0.000 0.914 234 S CB 0.318 62.641 63.200 -1.461 0.000 0.776 234 S HN 0.585 nan 8.310 nan 0.000 0.523 235 A N 2.344 125.294 122.820 0.217 0.000 3.037 235 A HA 0.551 4.911 4.320 0.065 0.000 0.272 235 A C 0.069 177.895 177.584 0.404 0.000 1.723 235 A CA -0.612 51.642 52.037 0.362 0.000 1.413 235 A CB -1.161 17.990 19.000 0.252 0.000 1.112 235 A HN 0.893 nan 8.150 nan 0.000 0.606 236 H N -3.295 115.978 119.070 0.339 0.000 3.003 236 H HA 0.462 5.057 4.556 0.065 0.000 0.327 236 H C -0.350 175.179 175.328 0.335 0.000 1.353 236 H CA -0.736 55.475 56.048 0.271 0.000 1.142 236 H CB 0.236 30.115 29.762 0.194 0.000 1.864 236 H HN 0.075 nan 8.280 nan 0.000 0.529 237 D N 0.281 120.865 120.400 0.306 0.000 2.104 237 D HA -0.193 4.486 4.640 0.065 0.000 0.194 237 D C 2.117 178.493 176.300 0.126 0.000 0.994 237 D CA 3.064 57.179 54.000 0.190 0.000 0.830 237 D CB -0.342 40.544 40.800 0.143 0.000 0.959 237 D HN 0.780 nan 8.370 nan 0.000 0.452 238 T N -1.567 113.062 114.554 0.126 0.000 2.788 238 T HA -0.203 4.186 4.350 0.065 0.000 0.268 238 T C 1.905 176.559 174.700 -0.078 0.000 1.044 238 T CA 0.726 62.861 62.100 0.058 0.000 1.139 238 T CB -0.681 68.264 68.868 0.129 0.000 0.867 238 T HN 0.174 nan 8.240 nan 0.000 0.454 239 F N 0.554 120.218 119.950 -0.477 0.000 2.113 239 F HA 0.148 4.713 4.527 0.064 0.000 0.297 239 F C 1.834 177.374 175.800 -0.433 0.000 1.103 239 F CA 0.386 58.029 58.000 -0.596 0.000 1.248 239 F CB -0.530 37.908 39.000 -0.937 0.000 0.999 239 F HN 0.132 nan 8.300 nan 0.000 0.475 240 W N 0.731 121.969 121.300 -0.104 0.000 2.436 240 W HA -0.095 4.605 4.660 0.067 0.000 0.284 240 W C 2.313 178.755 176.519 -0.127 0.000 1.225 240 W CA 1.058 58.328 57.345 -0.125 0.000 1.271 240 W CB -0.619 28.853 29.460 0.020 0.000 1.114 240 W HN 0.067 nan 8.180 nan 0.000 0.559 241 D N -0.475 119.975 120.400 0.082 0.000 2.087 241 D HA -0.311 4.368 4.640 0.065 0.000 0.192 241 D C 1.888 178.194 176.300 0.010 0.000 0.993 241 D CA 1.659 55.689 54.000 0.050 0.000 0.828 241 D CB -0.676 40.164 40.800 0.067 0.000 0.968 241 D HN 0.189 nan 8.370 nan 0.000 0.448 242 Y N 0.354 120.553 120.300 -0.168 0.000 2.128 242 Y HA -0.238 4.351 4.550 0.065 0.000 0.284 242 Y C 2.338 178.108 175.900 -0.217 0.000 1.154 242 Y CA 1.678 59.666 58.100 -0.188 0.000 1.149 242 Y CB -0.400 37.910 38.460 -0.251 0.000 0.976 242 Y HN -0.091 nan 8.280 nan 0.000 0.505 243 V N 0.010 119.803 119.914 -0.201 0.000 2.332 243 V HA -0.346 3.813 4.120 0.065 0.000 0.248 243 V C 2.557 178.597 176.094 -0.090 0.000 1.055 243 V CA 2.225 64.397 62.300 -0.212 0.000 1.038 243 V CB -1.158 30.443 31.823 -0.369 0.000 0.651 243 V HN 0.669 nan 8.190 nan 0.000 0.450 244 S N -0.283 115.408 115.700 -0.017 0.000 2.423 244 S HA -0.060 4.449 4.470 0.065 0.000 0.231 244 S C 1.726 176.298 174.600 -0.047 0.000 1.014 244 S CA 1.326 59.540 58.200 0.024 0.000 0.965 244 S CB -0.446 62.797 63.200 0.071 0.000 0.785 244 S HN 0.555 nan 8.310 nan 0.000 0.495 245 L N -0.050 121.097 121.223 -0.126 0.000 2.585 245 L HA 0.306 4.685 4.340 0.065 0.000 0.226 245 L C 0.603 177.303 176.870 -0.283 0.000 1.113 245 L CA 0.192 54.927 54.840 -0.174 0.000 0.876 245 L CB 0.024 41.981 42.059 -0.171 0.000 1.072 245 L HN 0.258 nan 8.230 nan 0.000 0.468 246 Q N 0.091 119.681 119.800 -0.350 0.000 3.300 246 Q HA 0.219 4.598 4.340 0.065 0.000 0.271 246 Q C -1.923 173.849 176.000 -0.380 0.000 0.926 246 Q CA -1.415 54.133 55.803 -0.424 0.000 0.788 246 Q CB 1.366 29.735 28.738 -0.615 0.000 1.385 246 Q HN -0.000 nan 8.270 nan 0.000 0.424 247 P HA -0.248 nan 4.420 nan 0.000 0.220 247 P C 1.066 178.057 177.300 -0.515 0.000 1.144 247 P CA 1.232 64.085 63.100 -0.412 0.000 0.800 247 P CB 0.223 31.652 31.700 -0.451 0.000 0.772 248 E N 0.759 120.487 120.200 -0.787 0.000 2.219 248 E HA -0.212 4.177 4.350 0.065 0.000 0.198 248 E C 1.446 177.987 176.600 -0.098 0.000 0.998 248 E CA 1.984 58.181 56.400 -0.340 0.000 0.818 248 E CB -1.288 28.287 29.700 -0.208 0.000 0.741 248 E HN 0.310 nan 8.360 nan 0.000 0.477 249 T N -0.770 113.731 114.554 -0.089 0.000 3.072 249 T HA 0.012 4.401 4.350 0.065 0.000 0.266 249 T C 1.923 176.674 174.700 0.086 0.000 1.127 249 T CA 0.514 62.626 62.100 0.020 0.000 1.107 249 T CB -0.296 68.611 68.868 0.065 0.000 0.910 249 T HN 0.156 nan 8.240 nan 0.000 0.513 250 L N 0.044 121.325 121.223 0.096 0.000 2.131 250 L HA -0.066 4.313 4.340 0.065 0.000 0.210 250 L C 2.834 179.866 176.870 0.270 0.000 1.092 250 L CA 1.635 56.606 54.840 0.218 0.000 0.759 250 L CB -0.732 41.474 42.059 0.244 0.000 0.903 250 L HN 0.485 nan 8.230 nan 0.000 0.435 251 H N -0.072 119.038 119.070 0.067 0.000 2.299 251 H HA -0.188 4.407 4.556 0.065 0.000 0.302 251 H C 2.117 177.442 175.328 -0.005 0.000 1.078 251 H CA 1.732 57.819 56.048 0.064 0.000 1.323 251 H CB 0.251 30.018 29.762 0.009 0.000 1.381 251 H HN 0.364 nan 8.280 nan 0.000 0.498 252 N N -0.053 118.460 118.700 -0.312 0.000 2.331 252 N HA -0.115 4.664 4.740 0.065 0.000 0.180 252 N C 1.908 177.229 175.510 -0.314 0.000 1.019 252 N CA 0.626 53.267 53.050 -0.682 0.000 0.881 252 N CB 0.326 37.934 38.487 -1.465 0.000 0.972 252 N HN 0.123 nan 8.380 nan 0.000 0.435 253 V N 1.605 121.557 119.914 0.063 0.000 2.343 253 V HA -0.235 3.924 4.120 0.065 0.000 0.247 253 V C 2.492 178.708 176.094 0.203 0.000 1.051 253 V CA 1.185 63.668 62.300 0.306 0.000 1.036 253 V CB -0.345 31.718 31.823 0.399 0.000 0.654 253 V HN 0.396 nan 8.190 nan 0.000 0.451 254 M N -1.547 118.205 119.600 0.254 0.000 2.080 254 M HA -0.206 4.313 4.480 0.065 0.000 0.260 254 M C 2.087 178.368 176.300 -0.032 0.000 1.068 254 M CA 1.896 57.348 55.300 0.253 0.000 1.109 254 M CB -1.216 31.569 32.600 0.307 0.000 1.342 254 M HN 0.464 nan 8.290 nan 0.000 0.405 255 W N 0.555 121.568 121.300 -0.478 0.000 2.335 255 W HA -0.121 4.579 4.660 0.067 0.000 0.311 255 W C 2.827 179.271 176.519 -0.125 0.000 1.213 255 W CA 1.988 59.038 57.345 -0.492 0.000 1.274 255 W CB -1.084 28.020 29.460 -0.592 0.000 1.148 255 W HN 0.299 nan 8.180 nan 0.000 0.498 256 A N -0.594 122.305 122.820 0.131 0.000 1.902 256 A HA -0.211 4.149 4.320 0.065 0.000 0.217 256 A C 1.946 179.576 177.584 0.075 0.000 1.181 256 A CA 1.941 54.059 52.037 0.135 0.000 0.623 256 A CB -0.679 18.440 19.000 0.198 0.000 0.818 256 A HN 0.111 nan 8.150 nan 0.000 0.443 257 M N 0.779 120.377 119.600 -0.004 0.000 2.394 257 M HA -0.001 4.518 4.480 0.065 0.000 0.264 257 M C 1.525 177.862 176.300 0.062 0.000 1.073 257 M CA 0.880 56.117 55.300 -0.106 0.000 1.111 257 M CB -1.533 30.733 32.600 -0.557 0.000 1.401 257 M HN 0.564 nan 8.290 nan 0.000 0.448 258 S N 0.338 116.135 115.700 0.162 0.000 2.626 258 S HA 0.063 4.572 4.470 0.065 0.000 0.257 258 S C 0.763 175.492 174.600 0.215 0.000 1.288 258 S CA -0.394 57.944 58.200 0.229 0.000 0.980 258 S CB 0.886 64.269 63.200 0.305 0.000 0.975 258 S HN 0.199 nan 8.310 nan 0.000 0.577 259 D N 0.161 120.706 120.400 0.243 0.000 2.378 259 D HA 0.027 4.706 4.640 0.065 0.000 0.222 259 D C 1.819 178.266 176.300 0.244 0.000 0.980 259 D CA 0.335 54.501 54.000 0.275 0.000 0.907 259 D CB -0.161 40.864 40.800 0.376 0.000 0.899 259 D HN 0.384 nan 8.370 nan 0.000 0.527 260 R N 0.186 120.824 120.500 0.229 0.000 2.193 260 R HA -0.043 4.336 4.340 0.065 0.000 0.229 260 R C 2.014 178.473 176.300 0.265 0.000 1.110 260 R CA 0.872 57.133 56.100 0.268 0.000 0.988 260 R CB -0.682 29.844 30.300 0.376 0.000 0.871 260 R HN 0.179 nan 8.270 nan 0.000 0.458 261 G N 1.182 110.125 108.800 0.237 0.000 2.650 261 G HA2 -0.019 3.980 3.960 0.065 0.000 0.214 261 G HA3 -0.019 3.980 3.960 0.065 0.000 0.214 261 G C 0.997 176.039 174.900 0.236 0.000 1.136 261 G CA 0.047 45.278 45.100 0.218 0.000 0.789 261 G HN 0.396 nan 8.290 nan 0.000 0.536 262 I N -1.737 118.983 120.570 0.251 0.000 2.925 262 I HA 0.362 4.571 4.170 0.065 0.000 0.296 262 I C -2.830 173.443 176.117 0.260 0.000 1.413 262 I CA -2.615 58.841 61.300 0.261 0.000 0.932 262 I CB 1.748 39.908 38.000 0.267 0.000 1.873 262 I HN -0.253 nan 8.210 nan 0.000 0.619 263 P HA 0.080 nan 4.420 nan 0.000 0.272 263 P C 0.431 177.873 177.300 0.237 0.000 1.230 263 P CA -0.187 63.023 63.100 0.184 0.000 0.788 263 P CB 1.348 33.090 31.700 0.069 0.000 0.949 264 R N 1.369 121.986 120.500 0.195 0.000 2.115 264 R HA 0.061 4.440 4.340 0.065 0.000 0.226 264 R C 0.443 176.882 176.300 0.232 0.000 1.100 264 R CA 1.266 57.531 56.100 0.274 0.000 0.980 264 R CB -0.401 30.031 30.300 0.220 0.000 0.875 264 R HN 0.555 nan 8.270 nan 0.000 0.445 265 S N -2.496 113.139 115.700 -0.109 0.000 2.552 265 S HA 0.211 4.720 4.470 0.065 0.000 0.272 265 S C -0.346 173.937 174.600 -0.529 0.000 1.150 265 S CA -0.857 57.124 58.200 -0.364 0.000 0.849 265 S CB 0.127 63.241 63.200 -0.143 0.000 1.113 265 S HN 0.106 nan 8.310 nan 0.000 0.458 266 Y N 2.425 122.352 120.300 -0.623 0.000 2.384 266 Y HA 0.001 4.591 4.550 0.066 0.000 0.289 266 Y C 2.333 177.873 175.900 -0.600 0.000 1.152 266 Y CA 1.286 58.890 58.100 -0.826 0.000 1.258 266 Y CB -0.375 37.191 38.460 -1.490 0.000 0.979 266 Y HN 0.584 nan 8.280 nan 0.000 0.549 267 R N -0.576 119.784 120.500 -0.233 0.000 2.235 267 R HA -0.038 4.341 4.340 0.065 0.000 0.213 267 R C 1.152 177.404 176.300 -0.080 0.000 1.059 267 R CA 1.520 57.535 56.100 -0.141 0.000 0.997 267 R CB -0.452 29.762 30.300 -0.143 0.000 0.884 267 R HN 0.352 nan 8.270 nan 0.000 0.462 268 T N -2.058 112.466 114.554 -0.049 0.000 3.331 268 T HA 0.330 4.719 4.350 0.065 0.000 0.282 268 T C 0.224 174.962 174.700 0.063 0.000 1.010 268 T CA -0.694 61.408 62.100 0.004 0.000 0.928 268 T CB -0.030 68.828 68.868 -0.016 0.000 1.154 268 T HN 0.089 nan 8.240 nan 0.000 0.516 269 M N -0.842 118.833 119.600 0.124 0.000 2.662 269 M HA 0.740 5.259 4.480 0.065 0.000 0.310 269 M C -1.055 175.422 176.300 0.296 0.000 1.204 269 M CA -0.869 54.550 55.300 0.198 0.000 0.891 269 M CB 2.073 34.789 32.600 0.194 0.000 1.732 269 M HN -0.148 nan 8.290 nan 0.000 0.467 270 E N 0.444 120.815 120.200 0.284 0.000 2.345 270 E HA 0.625 5.014 4.350 0.065 0.000 0.259 270 E C -0.248 176.432 176.600 0.133 0.000 1.117 270 E CA -0.544 55.954 56.400 0.164 0.000 0.913 270 E CB 1.523 31.213 29.700 -0.017 0.000 1.057 270 E HN 0.857 nan 8.360 nan 0.000 0.432 271 G N 0.739 109.459 108.800 -0.134 0.000 2.481 271 G HA2 0.639 4.638 3.960 0.065 0.000 0.315 271 G HA3 0.639 4.638 3.960 0.065 0.000 0.315 271 G C -1.424 173.059 174.900 -0.695 0.000 1.231 271 G CA -0.461 44.526 45.100 -0.188 0.000 0.968 271 G HN 0.292 nan 8.290 nan 0.000 0.482 272 F N -0.720 119.164 119.950 -0.110 0.000 2.631 272 F HA 0.517 5.083 4.527 0.064 0.000 0.308 272 F C 1.008 176.706 175.800 -0.170 0.000 1.097 272 F CA -0.591 57.267 58.000 -0.236 0.000 0.952 272 F CB 2.528 41.339 39.000 -0.315 0.000 1.307 272 F HN 0.597 nan 8.300 nan 0.000 0.450 273 G N -0.607 108.245 108.800 0.086 0.000 2.985 273 G HA2 0.208 4.207 3.960 0.065 0.000 0.209 273 G HA3 0.208 4.207 3.960 0.065 0.000 0.209 273 G C 0.704 175.661 174.900 0.095 0.000 1.165 273 G CA 0.586 45.779 45.100 0.156 0.000 0.776 273 G HN 1.027 nan 8.290 nan 0.000 0.541 274 C N -1.195 118.057 119.300 -0.080 0.000 5.885 274 C HA -0.174 4.325 4.460 0.065 0.000 0.327 274 C C 0.842 175.537 174.990 -0.492 0.000 2.426 274 C CA 0.762 59.563 59.018 -0.361 0.000 2.190 274 C CB -2.074 25.344 27.740 -0.538 0.000 3.229 274 C HN 0.600 nan 8.230 nan 0.000 0.266 275 H N 0.198 119.308 119.070 0.068 0.000 2.651 275 H HA 0.516 5.112 4.556 0.067 0.000 0.353 275 H C -0.108 175.187 175.328 -0.054 0.000 1.178 275 H CA 0.098 56.097 56.048 -0.081 0.000 1.224 275 H CB 0.682 30.245 29.762 -0.331 0.000 1.702 275 H HN 0.292 nan 8.280 nan 0.000 0.550 276 T N 2.557 117.108 114.554 -0.005 0.000 2.779 276 T HA 0.245 4.634 4.350 0.065 0.000 0.296 276 T C 0.081 174.734 174.700 -0.078 0.000 0.938 276 T CA 0.100 62.182 62.100 -0.030 0.000 1.119 276 T CB -0.323 68.481 68.868 -0.107 0.000 0.891 276 T HN 0.200 nan 8.240 nan 0.000 0.526 277 F N 1.268 121.186 119.950 -0.053 0.000 2.611 277 F HA 0.647 5.212 4.527 0.063 0.000 0.374 277 F C 1.024 176.777 175.800 -0.078 0.000 1.110 277 F CA -1.340 56.651 58.000 -0.015 0.000 1.090 277 F CB 1.401 40.387 39.000 -0.024 0.000 1.388 277 F HN 0.184 nan 8.300 nan 0.000 0.501 278 R N 0.717 121.265 120.500 0.081 0.000 2.670 278 R HA 0.601 4.980 4.340 0.065 0.000 0.289 278 R C -1.559 174.620 176.300 -0.202 0.000 0.965 278 R CA -0.814 55.191 56.100 -0.158 0.000 0.899 278 R CB 1.799 31.936 30.300 -0.271 0.000 1.173 278 R HN 0.439 nan 8.270 nan 0.000 0.456 279 L N 3.989 125.045 121.223 -0.279 0.000 2.307 279 L HA 0.499 4.879 4.340 0.065 0.000 0.282 279 L C -0.349 176.362 176.870 -0.265 0.000 1.051 279 L CA -0.801 53.887 54.840 -0.254 0.000 0.804 279 L CB 1.102 43.016 42.059 -0.242 0.000 1.197 279 L HN 0.372 nan 8.230 nan 0.000 0.431 280 I N 2.890 123.331 120.570 -0.215 0.000 2.418 280 I HA 0.260 4.470 4.170 0.065 0.000 0.287 280 I C -0.211 175.823 176.117 -0.139 0.000 1.008 280 I CA -0.702 60.477 61.300 -0.201 0.000 1.104 280 I CB 1.399 39.289 38.000 -0.182 0.000 1.264 280 I HN 0.632 nan 8.210 nan 0.000 0.438 281 N N 4.947 123.577 118.700 -0.116 0.000 2.448 281 N HA 0.366 5.145 4.740 0.065 0.000 0.274 281 N C 0.856 176.329 175.510 -0.062 0.000 1.239 281 N CA -0.306 52.696 53.050 -0.080 0.000 0.982 281 N CB 0.658 39.105 38.487 -0.066 0.000 1.199 281 N HN 0.527 nan 8.380 nan 0.000 0.576 282 A N -0.513 122.279 122.820 -0.047 0.000 2.019 282 A HA -0.125 4.234 4.320 0.065 0.000 0.219 282 A C 1.483 179.048 177.584 -0.031 0.000 1.164 282 A CA 1.103 53.118 52.037 -0.037 0.000 0.644 282 A CB -0.614 18.370 19.000 -0.027 0.000 0.805 282 A HN 0.697 nan 8.150 nan 0.000 0.449 283 E N -1.133 119.050 120.200 -0.028 0.000 2.511 283 E HA 0.114 4.503 4.350 0.065 0.000 0.196 283 E C 1.366 177.958 176.600 -0.014 0.000 1.066 283 E CA 0.724 57.112 56.400 -0.020 0.000 0.871 283 E CB -0.361 29.329 29.700 -0.018 0.000 0.863 283 E HN 0.826 nan 8.360 nan 0.000 0.520 284 G N 1.801 110.590 108.800 -0.017 0.000 2.175 284 G HA2 -0.328 3.671 3.960 0.065 0.000 0.244 284 G HA3 -0.328 3.671 3.960 0.065 0.000 0.244 284 G C 0.403 175.325 174.900 0.036 0.000 0.982 284 G CA 0.375 45.484 45.100 0.016 0.000 0.641 284 G HN 0.296 nan 8.290 nan 0.000 0.527 285 K N 1.051 121.435 120.400 -0.027 0.000 2.379 285 K HA 0.606 4.965 4.320 0.065 0.000 0.284 285 K C 0.664 177.141 176.600 -0.204 0.000 1.044 285 K CA 0.269 56.515 56.287 -0.068 0.000 0.974 285 K CB 0.413 32.871 32.500 -0.070 0.000 0.962 285 K HN 0.565 nan 8.250 nan 0.000 0.474 286 A N 3.700 126.291 122.820 -0.380 0.000 2.301 286 A HA 0.345 4.704 4.320 0.065 0.000 0.298 286 A C -0.644 176.626 177.584 -0.522 0.000 1.185 286 A CA -0.429 51.206 52.037 -0.669 0.000 0.830 286 A CB 0.863 19.020 19.000 -1.405 0.000 1.112 286 A HN 0.724 nan 8.150 nan 0.000 0.508 287 T N 2.700 116.983 114.554 -0.451 0.000 2.807 287 T HA 0.531 4.920 4.350 0.065 0.000 0.279 287 T C -0.463 174.005 174.700 -0.387 0.000 0.993 287 T CA -0.099 61.789 62.100 -0.353 0.000 0.970 287 T CB 0.436 69.190 68.868 -0.190 0.000 0.950 287 T HN 0.342 nan 8.240 nan 0.000 0.441 288 F N 2.028 121.883 119.950 -0.158 0.000 2.506 288 F HA 0.487 5.052 4.527 0.064 0.000 0.351 288 F C 0.613 176.293 175.800 -0.200 0.000 1.136 288 F CA -0.318 57.583 58.000 -0.164 0.000 1.298 288 F CB 0.538 39.465 39.000 -0.122 0.000 1.145 288 F HN 0.195 nan 8.300 nan 0.000 0.593 289 V N 4.410 124.279 119.914 -0.073 0.000 2.888 289 V HA 0.594 4.753 4.120 0.065 0.000 0.309 289 V C -0.984 174.890 176.094 -0.367 0.000 1.114 289 V CA -0.759 61.346 62.300 -0.324 0.000 0.940 289 V CB 2.122 33.514 31.823 -0.719 0.000 1.021 289 V HN 0.780 nan 8.190 nan 0.000 0.426 290 R N 4.346 124.680 120.500 -0.277 0.000 2.670 290 R HA 0.597 4.976 4.340 0.065 0.000 0.289 290 R C -1.660 174.559 176.300 -0.135 0.000 0.965 290 R CA -0.478 55.493 56.100 -0.215 0.000 0.899 290 R CB 2.160 32.464 30.300 0.005 0.000 1.173 290 R HN 0.600 nan 8.270 nan 0.000 0.456 291 F N 1.698 121.693 119.950 0.073 0.000 2.399 291 F HA 0.407 4.972 4.527 0.064 0.000 0.334 291 F C 0.859 176.614 175.800 -0.076 0.000 1.097 291 F CA -0.202 57.815 58.000 0.028 0.000 1.076 291 F CB 1.028 39.919 39.000 -0.181 0.000 1.162 291 F HN 0.190 nan 8.300 nan 0.000 0.495 292 H N 0.691 119.757 119.070 -0.007 0.000 2.851 292 H HA 0.250 4.845 4.556 0.066 0.000 0.372 292 H C -1.617 173.507 175.328 -0.340 0.000 1.158 292 H CA -1.024 54.922 56.048 -0.171 0.000 1.159 292 H CB 2.056 31.808 29.762 -0.017 0.000 1.757 292 H HN 0.678 nan 8.280 nan 0.000 0.546 293 W N 2.333 123.524 121.300 -0.183 0.000 2.600 293 W HA 0.319 5.017 4.660 0.064 0.000 0.325 293 W C -0.125 176.433 176.519 0.065 0.000 1.034 293 W CA -0.777 56.527 57.345 -0.068 0.000 1.226 293 W CB 1.781 31.035 29.460 -0.344 0.000 1.379 293 W HN 0.286 nan 8.180 nan 0.000 0.466 294 K N 5.718 126.398 120.400 0.466 0.000 2.213 294 K HA 0.390 4.749 4.320 0.065 0.000 0.270 294 K C -2.397 174.438 176.600 0.393 0.000 1.002 294 K CA -1.876 54.619 56.287 0.347 0.000 0.868 294 K CB 1.404 34.056 32.500 0.254 0.000 1.093 294 K HN 0.043 nan 8.250 nan 0.000 0.454 295 P HA 0.051 nan 4.420 nan 0.000 0.276 295 P C 0.399 177.709 177.300 0.018 0.000 1.264 295 P CA -0.099 63.069 63.100 0.113 0.000 0.769 295 P CB 0.756 32.536 31.700 0.133 0.000 0.840 296 L N 2.754 123.931 121.223 -0.076 0.000 2.362 296 L HA -0.090 4.289 4.340 0.065 0.000 0.219 296 L C 2.174 179.024 176.870 -0.033 0.000 1.134 296 L CA 1.146 55.974 54.840 -0.019 0.000 0.807 296 L CB -0.656 41.404 42.059 0.000 0.000 0.927 296 L HN 0.341 nan 8.230 nan 0.000 0.447 297 A N 0.129 122.901 122.820 -0.080 0.000 2.238 297 A HA 0.397 4.756 4.320 0.065 0.000 0.208 297 A C 1.279 178.861 177.584 -0.003 0.000 1.177 297 A CA 0.659 52.668 52.037 -0.046 0.000 0.804 297 A CB -0.515 18.440 19.000 -0.075 0.000 0.823 297 A HN 0.462 nan 8.150 nan 0.000 0.482 298 G N -0.615 108.198 108.800 0.021 0.000 2.781 298 G HA2 -0.154 3.845 3.960 0.065 0.000 0.683 298 G HA3 -0.154 3.845 3.960 0.065 0.000 0.683 298 G C -0.608 174.325 174.900 0.054 0.000 1.390 298 G CA -0.405 44.727 45.100 0.055 0.000 0.850 298 G HN 0.467 nan 8.290 nan 0.000 0.557 299 K N 0.321 120.762 120.400 0.068 0.000 2.227 299 K HA 0.683 5.042 4.320 0.065 0.000 0.280 299 K C 0.243 176.852 176.600 0.014 0.000 1.041 299 K CA 0.296 56.610 56.287 0.045 0.000 0.905 299 K CB 1.609 34.123 32.500 0.022 0.000 1.068 299 K HN 1.362 nan 8.250 nan 0.000 0.470 300 A N 1.973 124.787 122.820 -0.011 0.000 2.517 300 A HA 0.599 4.959 4.320 0.065 0.000 0.297 300 A C -1.079 176.543 177.584 0.062 0.000 1.050 300 A CA -0.673 51.303 52.037 -0.101 0.000 0.694 300 A CB 1.706 20.440 19.000 -0.443 0.000 1.277 300 A HN 0.515 nan 8.150 nan 0.000 0.400 301 S N 0.626 116.515 115.700 0.316 0.000 2.632 301 S HA 0.745 5.254 4.470 0.065 0.000 0.289 301 S C -0.070 174.850 174.600 0.534 0.000 1.115 301 S CA -0.619 57.815 58.200 0.390 0.000 0.889 301 S CB 1.178 64.597 63.200 0.364 0.000 1.116 301 S HN 0.650 nan 8.310 nan 0.000 0.486 302 L N 1.422 122.852 121.223 0.345 0.000 2.482 302 L HA 0.500 4.880 4.340 0.065 0.000 0.242 302 L C 0.170 177.169 176.870 0.214 0.000 1.210 302 L CA -0.739 54.228 54.840 0.212 0.000 0.819 302 L CB 0.101 42.198 42.059 0.064 0.000 1.203 302 L HN 0.487 nan 8.230 nan 0.000 0.495 303 V N -2.795 117.143 119.914 0.039 0.000 2.850 303 V HA 0.184 4.343 4.120 0.065 0.000 0.315 303 V C 0.656 176.694 176.094 -0.094 0.000 1.064 303 V CA -0.760 61.531 62.300 -0.016 0.000 0.979 303 V CB 1.640 33.419 31.823 -0.075 0.000 1.039 303 V HN 0.961 nan 8.190 nan 0.000 0.452 304 W N 1.855 123.023 121.300 -0.221 0.000 2.355 304 W HA -0.187 4.512 4.660 0.065 0.000 0.309 304 W C 1.751 178.113 176.519 -0.263 0.000 1.206 304 W CA 2.354 59.564 57.345 -0.225 0.000 1.284 304 W CB -0.095 29.214 29.460 -0.252 0.000 1.145 304 W HN 0.981 nan 8.180 nan 0.000 0.502 305 D N 0.395 120.506 120.400 -0.483 0.000 2.149 305 D HA -0.293 4.386 4.640 0.065 0.000 0.198 305 D C 2.126 178.075 176.300 -0.586 0.000 0.990 305 D CA 2.107 55.790 54.000 -0.529 0.000 0.839 305 D CB -0.452 40.284 40.800 -0.107 0.000 0.948 305 D HN 0.387 nan 8.370 nan 0.000 0.460 306 E N -0.403 119.316 120.200 -0.800 0.000 2.028 306 E HA -0.197 4.192 4.350 0.065 0.000 0.191 306 E C 2.042 178.313 176.600 -0.548 0.000 0.988 306 E CA 1.048 56.935 56.400 -0.856 0.000 0.799 306 E CB -0.230 28.856 29.700 -1.023 0.000 0.755 306 E HN 0.297 nan 8.360 nan 0.000 0.447 307 A N 1.185 123.705 122.820 -0.499 0.000 1.883 307 A HA -0.273 4.086 4.320 0.065 0.000 0.217 307 A C 2.186 179.451 177.584 -0.531 0.000 1.186 307 A CA 1.900 53.696 52.037 -0.401 0.000 0.624 307 A CB -0.719 18.169 19.000 -0.186 0.000 0.822 307 A HN 0.452 nan 8.150 nan 0.000 0.444 308 Q N -0.637 118.633 119.800 -0.884 0.000 2.083 308 Q HA -0.159 4.220 4.340 0.065 0.000 0.198 308 Q C 2.173 177.896 176.000 -0.462 0.000 0.969 308 Q CA 1.701 56.993 55.803 -0.851 0.000 0.838 308 Q CB -0.143 27.789 28.738 -1.343 0.000 0.900 308 Q HN 0.666 nan 8.270 nan 0.000 0.436 309 K N 0.055 120.208 120.400 -0.412 0.000 2.211 309 K HA -0.142 4.217 4.320 0.065 0.000 0.203 309 K C 1.971 178.435 176.600 -0.227 0.000 1.050 309 K CA 0.615 56.752 56.287 -0.249 0.000 0.945 309 K CB 0.026 32.424 32.500 -0.169 0.000 0.732 309 K HN 0.172 nan 8.250 nan 0.000 0.451 310 L N 1.133 122.181 121.223 -0.290 0.000 2.240 310 L HA -0.077 4.302 4.340 0.065 0.000 0.211 310 L C 2.109 178.853 176.870 -0.210 0.000 1.106 310 L CA 1.889 56.558 54.840 -0.284 0.000 0.793 310 L CB -0.693 41.116 42.059 -0.417 0.000 0.927 310 L HN 0.275 nan 8.230 nan 0.000 0.446 311 T N -4.359 110.075 114.554 -0.200 0.000 2.929 311 T HA -0.045 4.344 4.350 0.065 0.000 0.271 311 T C 1.790 176.432 174.700 -0.097 0.000 1.085 311 T CA 0.968 62.991 62.100 -0.128 0.000 1.125 311 T CB -0.778 68.026 68.868 -0.107 0.000 0.874 311 T HN 0.363 nan 8.240 nan 0.000 0.494 312 G N 0.850 109.585 108.800 -0.108 0.000 2.510 312 G HA2 0.043 4.042 3.960 0.065 0.000 0.212 312 G HA3 0.043 4.042 3.960 0.065 0.000 0.212 312 G C 1.881 176.740 174.900 -0.068 0.000 1.151 312 G CA -0.355 44.698 45.100 -0.078 0.000 0.817 312 G HN 0.278 nan 8.290 nan 0.000 0.534 313 R N 0.327 120.776 120.500 -0.085 0.000 2.115 313 R HA 0.031 4.410 4.340 0.065 0.000 0.230 313 R C -0.175 176.100 176.300 -0.042 0.000 1.111 313 R CA 0.837 56.898 56.100 -0.064 0.000 0.976 313 R CB -0.179 30.072 30.300 -0.081 0.000 0.870 313 R HN 0.337 nan 8.270 nan 0.000 0.445 314 D N -0.611 119.760 120.400 -0.047 0.000 2.411 314 D HA 0.133 4.812 4.640 0.065 0.000 0.239 314 D C -2.140 174.165 176.300 0.009 0.000 1.307 314 D CA -1.706 52.299 54.000 0.009 0.000 0.930 314 D CB 1.361 42.212 40.800 0.086 0.000 1.395 314 D HN -0.135 nan 8.370 nan 0.000 0.536 315 P HA 0.013 nan 4.420 nan 0.000 0.234 315 P C 0.010 177.318 177.300 0.014 0.000 1.167 315 P CA 0.579 63.671 63.100 -0.013 0.000 0.763 315 P CB 0.512 32.201 31.700 -0.018 0.000 0.835 316 D N -1.336 119.084 120.400 0.032 0.000 2.427 316 D HA 0.070 4.749 4.640 0.065 0.000 0.224 316 D C 1.212 177.546 176.300 0.058 0.000 1.157 316 D CA -0.427 53.596 54.000 0.039 0.000 0.828 316 D CB -0.548 40.253 40.800 0.002 0.000 0.974 316 D HN 0.137 nan 8.370 nan 0.000 0.498 317 F N 1.149 121.044 119.950 -0.091 0.000 2.126 317 F HA -0.226 4.340 4.527 0.065 0.000 0.299 317 F C 2.032 177.813 175.800 -0.030 0.000 1.096 317 F CA 1.828 59.771 58.000 -0.094 0.000 1.255 317 F CB 0.117 39.003 39.000 -0.190 0.000 0.997 317 F HN 0.097 nan 8.300 nan 0.000 0.479 318 H N -1.258 117.708 119.070 -0.174 0.000 2.372 318 H HA -0.040 4.555 4.556 0.065 0.000 0.301 318 H C 2.377 177.605 175.328 -0.166 0.000 1.065 318 H CA 0.745 56.562 56.048 -0.384 0.000 1.364 318 H CB -0.077 29.310 29.762 -0.625 0.000 1.406 318 H HN 0.141 nan 8.280 nan 0.000 0.521 319 R N 1.279 121.881 120.500 0.170 0.000 2.096 319 R HA -0.170 4.209 4.340 0.065 0.000 0.240 319 R C 2.451 178.855 176.300 0.175 0.000 1.139 319 R CA 1.640 57.888 56.100 0.247 0.000 0.952 319 R CB -0.063 30.367 30.300 0.218 0.000 0.854 319 R HN 0.200 nan 8.270 nan 0.000 0.436 320 R N 0.280 120.802 120.500 0.037 0.000 2.073 320 R HA -0.147 4.232 4.340 0.065 0.000 0.234 320 R C 2.193 178.495 176.300 0.003 0.000 1.134 320 R CA 1.740 57.846 56.100 0.010 0.000 0.952 320 R CB -0.290 29.980 30.300 -0.051 0.000 0.850 320 R HN 0.278 nan 8.270 nan 0.000 0.433 321 E N 0.674 120.761 120.200 -0.189 0.000 2.110 321 E HA -0.202 4.187 4.350 0.065 0.000 0.193 321 E C 2.011 178.581 176.600 -0.049 0.000 0.988 321 E CA 1.069 57.338 56.400 -0.219 0.000 0.804 321 E CB -0.049 29.343 29.700 -0.513 0.000 0.745 321 E HN 0.276 nan 8.360 nan 0.000 0.458 322 L N 0.745 121.984 121.223 0.025 0.000 2.005 322 L HA -0.147 4.232 4.340 0.065 0.000 0.207 322 L C 2.244 179.213 176.870 0.165 0.000 1.072 322 L CA 1.827 56.727 54.840 0.100 0.000 0.744 322 L CB -0.941 41.237 42.059 0.199 0.000 0.895 322 L HN 0.298 nan 8.230 nan 0.000 0.433 323 W N 0.975 122.308 121.300 0.056 0.000 2.335 323 W HA -0.227 4.472 4.660 0.064 0.000 0.311 323 W C 2.199 178.747 176.519 0.049 0.000 1.213 323 W CA 2.276 59.666 57.345 0.075 0.000 1.274 323 W CB -0.130 29.379 29.460 0.082 0.000 1.148 323 W HN 0.370 nan 8.180 nan 0.000 0.498 324 E N -0.228 120.142 120.200 0.283 0.000 2.152 324 E HA -0.098 4.291 4.350 0.065 0.000 0.192 324 E C 2.342 178.970 176.600 0.045 0.000 0.983 324 E CA 0.883 57.373 56.400 0.150 0.000 0.818 324 E CB -0.289 29.454 29.700 0.071 0.000 0.758 324 E HN 0.177 nan 8.360 nan 0.000 0.467 325 A N 1.332 124.177 122.820 0.041 0.000 1.902 325 A HA -0.167 4.192 4.320 0.065 0.000 0.217 325 A C 2.150 179.750 177.584 0.028 0.000 1.181 325 A CA 1.018 53.069 52.037 0.024 0.000 0.623 325 A CB -0.505 18.510 19.000 0.025 0.000 0.818 325 A HN 0.124 nan 8.150 nan 0.000 0.443 326 I N -0.443 120.162 120.570 0.059 0.000 2.252 326 I HA -0.231 3.978 4.170 0.065 0.000 0.245 326 I C 2.420 178.597 176.117 0.099 0.000 1.102 326 I CA 1.400 62.781 61.300 0.135 0.000 1.385 326 I CB -0.463 37.557 38.000 0.034 0.000 1.064 326 I HN 0.417 nan 8.210 nan 0.000 0.414 327 E N 0.871 121.084 120.200 0.022 0.000 2.209 327 E HA -0.204 4.185 4.350 0.065 0.000 0.196 327 E C 2.082 178.694 176.600 0.020 0.000 0.993 327 E CA 1.244 57.672 56.400 0.047 0.000 0.819 327 E CB -0.101 29.660 29.700 0.101 0.000 0.745 327 E HN 0.511 nan 8.360 nan 0.000 0.477 328 A N 0.072 122.877 122.820 -0.025 0.000 2.208 328 A HA 0.227 4.586 4.320 0.065 0.000 0.209 328 A C 1.796 179.300 177.584 -0.132 0.000 1.161 328 A CA 0.885 52.886 52.037 -0.059 0.000 0.782 328 A CB -0.129 18.824 19.000 -0.078 0.000 0.816 328 A HN 0.327 nan 8.150 nan 0.000 0.477 329 G N -0.265 108.362 108.800 -0.288 0.000 2.162 329 G HA2 -0.225 3.775 3.960 0.065 0.000 0.260 329 G HA3 -0.225 3.775 3.960 0.065 0.000 0.260 329 G C -0.176 174.212 174.900 -0.854 0.000 0.976 329 G CA 0.300 44.900 45.100 -0.833 0.000 0.655 329 G HN 0.482 nan 8.290 nan 0.000 0.533 330 D N 0.910 121.084 120.400 -0.377 0.000 2.801 330 D HA 0.274 4.953 4.640 0.065 0.000 0.232 330 D C 0.735 176.969 176.300 -0.110 0.000 1.128 330 D CA -0.091 53.788 54.000 -0.202 0.000 1.003 330 D CB -0.677 40.108 40.800 -0.025 0.000 1.110 330 D HN 0.423 nan 8.370 nan 0.000 0.477 331 F N 1.330 121.282 119.950 0.003 0.000 2.578 331 F HA 0.110 4.677 4.527 0.066 0.000 0.376 331 F C -1.393 174.377 175.800 -0.050 0.000 1.085 331 F CA -2.001 55.992 58.000 -0.013 0.000 1.260 331 F CB 0.050 39.053 39.000 0.004 0.000 1.095 331 F HN -0.094 nan 8.300 nan 0.000 0.573 332 P HA 0.015 nan 4.420 nan 0.000 0.262 332 P C -1.064 176.174 177.300 -0.104 0.000 1.199 332 P CA 0.406 63.486 63.100 -0.032 0.000 0.763 332 P CB 0.407 32.170 31.700 0.105 0.000 0.790 333 E N 2.513 122.515 120.200 -0.329 0.000 2.238 333 E HA 0.469 4.858 4.350 0.065 0.000 0.267 333 E C -1.014 175.292 176.600 -0.490 0.000 0.887 333 E CA -0.593 55.671 56.400 -0.227 0.000 0.769 333 E CB 1.453 31.117 29.700 -0.060 0.000 1.187 333 E HN 0.382 nan 8.360 nan 0.000 0.416 334 Y N 0.302 120.678 120.300 0.127 0.000 2.492 334 Y HA 0.231 4.821 4.550 0.066 0.000 0.346 334 Y C -0.285 175.867 175.900 0.419 0.000 0.997 334 Y CA -0.980 57.273 58.100 0.255 0.000 1.025 334 Y CB 1.998 40.562 38.460 0.173 0.000 1.263 334 Y HN 0.467 nan 8.280 nan 0.000 0.454 335 E N 3.012 123.565 120.200 0.588 0.000 2.146 335 E HA 0.404 4.793 4.350 0.065 0.000 0.282 335 E C -1.518 175.375 176.600 0.489 0.000 0.989 335 E CA -0.915 55.777 56.400 0.488 0.000 0.799 335 E CB 1.031 30.951 29.700 0.366 0.000 1.088 335 E HN 0.601 nan 8.360 nan 0.000 0.397 336 L N 4.276 125.705 121.223 0.343 0.000 2.380 336 L HA 0.570 4.949 4.340 0.065 0.000 0.273 336 L C -0.086 176.724 176.870 -0.100 0.000 1.138 336 L CA 0.539 55.290 54.840 -0.148 0.000 0.832 336 L CB 1.190 43.088 42.059 -0.268 0.000 1.124 336 L HN 0.599 nan 8.230 nan 0.000 0.454 337 G N 4.138 112.887 108.800 -0.085 0.000 2.659 337 G HA2 0.546 4.545 3.960 0.065 0.000 0.296 337 G HA3 0.546 4.545 3.960 0.065 0.000 0.296 337 G C -1.704 173.317 174.900 0.202 0.000 1.369 337 G CA -0.516 44.563 45.100 -0.035 0.000 0.937 337 G HN 0.452 nan 8.290 nan 0.000 0.485 338 F N 0.362 120.317 119.950 0.008 0.000 2.507 338 F HA 0.370 4.937 4.527 0.066 0.000 0.325 338 F C 0.395 176.172 175.800 -0.038 0.000 1.116 338 F CA -0.995 57.007 58.000 0.004 0.000 0.930 338 F CB 2.552 41.542 39.000 -0.017 0.000 1.146 338 F HN 0.153 nan 8.300 nan 0.000 0.447 339 Q N 4.484 124.382 119.800 0.164 0.000 2.294 339 Q HA 0.434 4.814 4.340 0.065 0.000 0.257 339 Q C -0.999 175.035 176.000 0.057 0.000 0.955 339 Q CA -0.243 55.610 55.803 0.083 0.000 0.936 339 Q CB 1.659 30.455 28.738 0.096 0.000 1.188 339 Q HN 0.527 nan 8.270 nan 0.000 0.420 340 L N 4.594 125.860 121.223 0.072 0.000 2.333 340 L HA 0.578 4.958 4.340 0.065 0.000 0.280 340 L C -0.540 176.381 176.870 0.085 0.000 1.004 340 L CA -0.573 54.300 54.840 0.055 0.000 0.820 340 L CB 1.276 43.377 42.059 0.070 0.000 1.247 340 L HN 0.515 nan 8.230 nan 0.000 0.416 341 I N 4.464 125.102 120.570 0.113 0.000 2.439 341 I HA 0.352 4.561 4.170 0.065 0.000 0.285 341 I C -2.279 173.957 176.117 0.198 0.000 1.021 341 I CA -2.099 59.311 61.300 0.184 0.000 1.091 341 I CB 2.223 40.349 38.000 0.210 0.000 1.242 341 I HN 0.272 nan 8.210 nan 0.000 0.439 342 P HA 0.021 nan 4.420 nan 0.000 0.269 342 P C 0.650 178.039 177.300 0.148 0.000 1.215 342 P CA -0.028 63.118 63.100 0.078 0.000 0.780 342 P CB 0.918 32.653 31.700 0.059 0.000 0.898 343 E N 1.841 122.049 120.200 0.013 0.000 2.118 343 E HA -0.253 4.136 4.350 0.065 0.000 0.195 343 E C 1.437 178.158 176.600 0.201 0.000 0.992 343 E CA 1.140 57.569 56.400 0.048 0.000 0.804 343 E CB -0.013 29.621 29.700 -0.111 0.000 0.741 343 E HN 0.495 nan 8.360 nan 0.000 0.458 344 E N 0.178 120.455 120.200 0.127 0.000 2.418 344 E HA -0.173 4.216 4.350 0.065 0.000 0.197 344 E C 0.378 177.055 176.600 0.128 0.000 1.026 344 E CA 0.845 57.322 56.400 0.127 0.000 0.862 344 E CB 0.052 29.800 29.700 0.079 0.000 0.799 344 E HN 0.246 nan 8.360 nan 0.000 0.518 345 D N 1.207 121.686 120.400 0.131 0.000 2.368 345 D HA -0.001 4.678 4.640 0.065 0.000 0.218 345 D C 1.337 177.677 176.300 0.067 0.000 1.112 345 D CA 0.028 54.076 54.000 0.080 0.000 0.834 345 D CB 0.191 41.042 40.800 0.085 0.000 0.953 345 D HN 0.413 nan 8.370 nan 0.000 0.505 346 E N -0.263 119.954 120.200 0.029 0.000 2.130 346 E HA -0.193 4.196 4.350 0.065 0.000 0.196 346 E C 0.522 176.832 176.600 -0.484 0.000 0.998 346 E CA 1.086 57.288 56.400 -0.330 0.000 0.806 346 E CB 0.036 29.430 29.700 -0.509 0.000 0.738 346 E HN 0.255 nan 8.360 nan 0.000 0.459 347 F N -0.447 119.496 119.950 -0.012 0.000 2.653 347 F HA 0.275 4.841 4.527 0.065 0.000 0.304 347 F C 1.420 177.149 175.800 -0.118 0.000 1.092 347 F CA -0.273 57.699 58.000 -0.047 0.000 1.279 347 F CB 0.615 39.598 39.000 -0.029 0.000 1.044 347 F HN -0.180 nan 8.300 nan 0.000 0.564 348 K N 0.053 120.386 120.400 -0.112 0.000 2.487 348 K HA 0.083 4.442 4.320 0.065 0.000 0.192 348 K C -0.177 176.028 176.600 -0.659 0.000 1.027 348 K CA 0.462 56.520 56.287 -0.381 0.000 1.054 348 K CB 0.115 32.330 32.500 -0.475 0.000 0.824 348 K HN 0.135 nan 8.250 nan 0.000 0.510 349 F N 0.705 120.487 119.950 -0.281 0.000 2.457 349 F HA 0.074 4.640 4.527 0.065 0.000 0.330 349 F C 1.281 176.867 175.800 -0.356 0.000 1.069 349 F CA -1.224 56.510 58.000 -0.443 0.000 1.009 349 F CB 0.604 38.984 39.000 -1.033 0.000 1.276 349 F HN -0.035 nan 8.300 nan 0.000 0.492 350 D N -0.564 119.820 120.400 -0.026 0.000 2.328 350 D HA 0.032 4.711 4.640 0.065 0.000 0.226 350 D C -0.342 176.041 176.300 0.138 0.000 1.066 350 D CA 0.205 54.248 54.000 0.071 0.000 0.861 350 D CB -0.816 40.057 40.800 0.121 0.000 0.912 350 D HN 0.244 nan 8.370 nan 0.000 0.521 351 F N -1.574 118.451 119.950 0.125 0.000 2.618 351 F HA 0.540 5.105 4.527 0.064 0.000 0.332 351 F C -0.180 175.602 175.800 -0.031 0.000 1.061 351 F CA -1.756 56.239 58.000 -0.007 0.000 0.974 351 F CB 0.810 39.758 39.000 -0.086 0.000 1.310 351 F HN -0.337 nan 8.300 nan 0.000 0.491 352 D N 1.503 121.923 120.400 0.034 0.000 2.277 352 D HA 0.201 4.880 4.640 0.065 0.000 0.249 352 D C 1.042 177.284 176.300 -0.097 0.000 1.134 352 D CA -0.085 53.869 54.000 -0.076 0.000 0.863 352 D CB 1.536 42.302 40.800 -0.058 0.000 1.143 352 D HN 0.736 nan 8.370 nan 0.000 0.458 353 L N 3.401 124.494 121.223 -0.216 0.000 2.261 353 L HA -0.151 4.228 4.340 0.065 0.000 0.216 353 L C 1.920 178.663 176.870 -0.211 0.000 1.114 353 L CA 0.787 55.485 54.840 -0.237 0.000 0.777 353 L CB -0.057 41.716 42.059 -0.477 0.000 0.910 353 L HN 0.472 nan 8.230 nan 0.000 0.440 354 L N -1.074 120.044 121.223 -0.175 0.000 2.592 354 L HA 0.084 4.463 4.340 0.065 0.000 0.227 354 L C 0.357 177.172 176.870 -0.093 0.000 1.127 354 L CA -0.177 54.630 54.840 -0.055 0.000 0.884 354 L CB -0.195 41.939 42.059 0.124 0.000 1.065 354 L HN 0.081 nan 8.230 nan 0.000 0.457 355 D N 1.871 121.985 120.400 -0.476 0.000 2.313 355 D HA 0.131 4.810 4.640 0.065 0.000 0.239 355 D C -1.680 174.413 176.300 -0.345 0.000 1.142 355 D CA -2.171 51.314 54.000 -0.858 0.000 0.847 355 D CB 1.690 41.747 40.800 -1.238 0.000 1.082 355 D HN -0.071 nan 8.370 nan 0.000 0.480 356 P HA 0.009 nan 4.420 nan 0.000 0.249 356 P C 0.833 178.052 177.300 -0.134 0.000 1.229 356 P CA 0.384 63.430 63.100 -0.091 0.000 0.788 356 P CB -0.033 31.708 31.700 0.068 0.000 1.072 357 T N -4.115 110.348 114.554 -0.152 0.000 3.129 357 T HA 0.134 4.523 4.350 0.065 0.000 0.251 357 T C 0.740 175.352 174.700 -0.147 0.000 1.117 357 T CA 0.038 62.055 62.100 -0.138 0.000 1.034 357 T CB -0.266 68.562 68.868 -0.067 0.000 0.968 357 T HN -0.156 nan 8.240 nan 0.000 0.526 358 K N 2.105 122.328 120.400 -0.295 0.000 2.221 358 K HA 0.567 4.926 4.320 0.065 0.000 0.258 358 K C -0.279 176.138 176.600 -0.305 0.000 0.944 358 K CA -0.901 55.088 56.287 -0.497 0.000 0.823 358 K CB 2.047 34.129 32.500 -0.697 0.000 1.113 358 K HN 0.299 nan 8.250 nan 0.000 0.431 359 L N -0.220 120.949 121.223 -0.091 0.000 2.400 359 L HA 0.664 5.044 4.340 0.065 0.000 0.264 359 L C -0.044 176.646 176.870 -0.299 0.000 1.061 359 L CA -0.494 54.254 54.840 -0.154 0.000 0.799 359 L CB 0.299 42.351 42.059 -0.012 0.000 1.240 359 L HN 0.443 nan 8.230 nan 0.000 0.461 360 I N 1.134 121.623 120.570 -0.135 0.000 2.328 360 I HA 0.401 4.610 4.170 0.065 0.000 0.287 360 I C -2.187 173.948 176.117 0.030 0.000 1.012 360 I CA -1.700 59.568 61.300 -0.052 0.000 1.195 360 I CB 1.433 39.423 38.000 -0.017 0.000 1.350 360 I HN 0.447 nan 8.210 nan 0.000 0.464 361 P HA 0.079 nan 4.420 nan 0.000 0.267 361 P C 0.253 177.619 177.300 0.111 0.000 1.205 361 P CA -0.048 63.097 63.100 0.076 0.000 0.765 361 P CB 0.625 32.363 31.700 0.063 0.000 0.828 362 E N 1.862 122.136 120.200 0.125 0.000 2.204 362 E HA -0.205 4.184 4.350 0.065 0.000 0.195 362 E C 1.336 177.991 176.600 0.092 0.000 0.990 362 E CA 0.832 57.294 56.400 0.104 0.000 0.821 362 E CB -0.039 29.725 29.700 0.106 0.000 0.750 362 E HN 0.527 nan 8.360 nan 0.000 0.477 363 E N 0.407 120.661 120.200 0.091 0.000 2.204 363 E HA -0.149 4.240 4.350 0.065 0.000 0.195 363 E C 2.059 178.722 176.600 0.106 0.000 0.990 363 E CA 0.760 57.210 56.400 0.083 0.000 0.821 363 E CB 0.068 29.810 29.700 0.070 0.000 0.750 363 E HN 0.390 nan 8.360 nan 0.000 0.477 364 L N -0.326 120.982 121.223 0.143 0.000 2.168 364 L HA 0.053 4.432 4.340 0.065 0.000 0.203 364 L C 0.692 177.684 176.870 0.204 0.000 1.078 364 L CA 0.447 55.411 54.840 0.206 0.000 0.780 364 L CB 0.399 42.654 42.059 0.327 0.000 0.939 364 L HN -0.198 nan 8.230 nan 0.000 0.451 365 V N 1.390 121.398 119.914 0.157 0.000 2.462 365 V HA 0.317 4.476 4.120 0.065 0.000 0.288 365 V C -2.397 173.745 176.094 0.079 0.000 1.020 365 V CA -1.405 60.973 62.300 0.130 0.000 0.857 365 V CB 1.592 33.485 31.823 0.115 0.000 1.013 365 V HN -0.042 nan 8.190 nan 0.000 0.431 366 P HA 0.201 nan 4.420 nan 0.000 0.274 366 P C -0.276 177.022 177.300 -0.003 0.000 1.231 366 P CA -0.061 63.060 63.100 0.034 0.000 0.790 366 P CB 1.136 32.860 31.700 0.039 0.000 0.951 367 V N 3.112 122.990 119.914 -0.059 0.000 2.470 367 V HA 0.063 4.222 4.120 0.065 0.000 0.276 367 V C 0.925 177.003 176.094 -0.026 0.000 1.040 367 V CA 0.098 62.324 62.300 -0.123 0.000 1.008 367 V CB 0.059 31.718 31.823 -0.272 0.000 0.990 367 V HN 0.546 nan 8.190 nan 0.000 0.477 368 Q N 5.990 125.796 119.800 0.010 0.000 2.279 368 Q HA 0.295 4.674 4.340 0.065 0.000 0.256 368 Q C 0.389 176.382 176.000 -0.012 0.000 0.937 368 Q CA -0.776 55.038 55.803 0.018 0.000 0.933 368 Q CB 0.678 29.439 28.738 0.039 0.000 1.189 368 Q HN 0.819 nan 8.270 nan 0.000 0.417 369 R N 2.163 122.684 120.500 0.035 0.000 2.489 369 R HA 0.086 4.465 4.340 0.065 0.000 0.287 369 R C -0.391 175.952 176.300 0.072 0.000 1.053 369 R CA -0.321 55.845 56.100 0.110 0.000 1.036 369 R CB 0.572 30.999 30.300 0.212 0.000 0.966 369 R HN 0.450 nan 8.270 nan 0.000 0.432 370 V N 2.026 121.886 119.914 -0.090 0.000 3.090 370 V HA 0.346 4.505 4.120 0.065 0.000 0.237 370 V C 0.920 176.768 176.094 -0.409 0.000 1.209 370 V CA 1.098 63.217 62.300 -0.301 0.000 1.209 370 V CB 0.684 32.054 31.823 -0.755 0.000 0.971 370 V HN 1.076 nan 8.190 nan 0.000 0.477 371 G N -0.313 108.130 108.800 -0.595 0.000 2.340 371 G HA2 0.457 4.456 3.960 0.065 0.000 0.299 371 G HA3 0.457 4.456 3.960 0.065 0.000 0.299 371 G C -1.825 172.728 174.900 -0.578 0.000 1.291 371 G CA -0.532 43.853 45.100 -1.192 0.000 0.841 371 G HN 0.072 nan 8.290 nan 0.000 0.500 372 K N -0.425 119.697 120.400 -0.464 0.000 2.378 372 K HA 0.739 5.098 4.320 0.065 0.000 0.252 372 K C -0.882 175.812 176.600 0.156 0.000 0.931 372 K CA -0.777 55.527 56.287 0.028 0.000 0.794 372 K CB 2.016 34.565 32.500 0.081 0.000 1.181 372 K HN 0.613 nan 8.250 nan 0.000 0.425 373 M N 4.624 124.431 119.600 0.345 0.000 2.321 373 M HA 0.415 4.934 4.480 0.065 0.000 0.315 373 M C -1.782 174.524 176.300 0.010 0.000 1.052 373 M CA -0.780 54.655 55.300 0.225 0.000 0.936 373 M CB 1.754 34.519 32.600 0.274 0.000 1.639 373 M HN 0.353 nan 8.290 nan 0.000 0.433 374 V N 6.278 126.022 119.914 -0.283 0.000 2.487 374 V HA 0.433 4.592 4.120 0.065 0.000 0.298 374 V C -0.550 175.402 176.094 -0.236 0.000 1.028 374 V CA -0.693 61.442 62.300 -0.275 0.000 0.860 374 V CB 1.781 33.311 31.823 -0.489 0.000 0.991 374 V HN 0.812 nan 8.190 nan 0.000 0.427 375 L N 5.700 126.879 121.223 -0.072 0.000 2.255 375 L HA 0.476 4.855 4.340 0.065 0.000 0.289 375 L C 0.513 177.304 176.870 -0.131 0.000 1.046 375 L CA -0.258 54.542 54.840 -0.066 0.000 0.816 375 L CB 0.848 42.917 42.059 0.017 0.000 1.197 375 L HN 0.870 nan 8.230 nan 0.000 0.427 376 N N 2.709 121.243 118.700 -0.276 0.000 2.194 376 N HA 0.149 4.928 4.740 0.065 0.000 0.231 376 N C -0.062 175.276 175.510 -0.287 0.000 1.247 376 N CA -0.396 52.259 53.050 -0.658 0.000 0.884 376 N CB 0.767 38.523 38.487 -1.217 0.000 1.146 376 N HN 0.463 nan 8.380 nan 0.000 0.516 377 R N 0.007 120.443 120.500 -0.106 0.000 2.604 377 R HA 0.337 4.716 4.340 0.065 0.000 0.270 377 R C -1.301 174.954 176.300 -0.074 0.000 1.052 377 R CA -0.592 55.464 56.100 -0.074 0.000 0.902 377 R CB 1.381 31.644 30.300 -0.063 0.000 1.233 377 R HN 0.050 nan 8.270 nan 0.000 0.455 378 N N 2.868 121.414 118.700 -0.256 0.000 2.483 378 N HA 0.331 5.110 4.740 0.065 0.000 0.269 378 N C -2.282 173.158 175.510 -0.116 0.000 1.209 378 N CA -1.272 51.480 53.050 -0.497 0.000 0.969 378 N CB 0.806 38.340 38.487 -1.588 0.000 1.173 378 N HN 0.332 nan 8.380 nan 0.000 0.475 379 P HA 0.107 nan 4.420 nan 0.000 0.274 379 P C 0.070 177.545 177.300 0.292 0.000 1.260 379 P CA -0.081 63.203 63.100 0.306 0.000 0.793 379 P CB 1.146 33.070 31.700 0.374 0.000 1.048 380 D N -1.197 119.354 120.400 0.253 0.000 2.197 380 D HA -0.016 4.663 4.640 0.065 0.000 0.212 380 D C 0.481 176.958 176.300 0.295 0.000 0.963 380 D CA 1.306 55.455 54.000 0.248 0.000 0.864 380 D CB 0.190 41.075 40.800 0.142 0.000 1.009 380 D HN 0.390 nan 8.370 nan 0.000 0.479 381 N N -0.210 118.653 118.700 0.272 0.000 2.448 381 N HA 0.015 4.794 4.740 0.065 0.000 0.279 381 N C 0.028 175.749 175.510 0.351 0.000 1.025 381 N CA -0.331 52.895 53.050 0.293 0.000 0.898 381 N CB 1.616 40.242 38.487 0.232 0.000 1.303 381 N HN -0.157 nan 8.380 nan 0.000 0.495 382 F N 4.253 124.356 119.950 0.254 0.000 2.095 382 F HA -0.164 4.402 4.527 0.066 0.000 0.298 382 F C 1.712 177.642 175.800 0.217 0.000 1.104 382 F CA 1.477 59.628 58.000 0.252 0.000 1.232 382 F CB -0.111 39.015 39.000 0.209 0.000 0.987 382 F HN 0.613 nan 8.300 nan 0.000 0.475 383 F N 0.799 121.002 119.950 0.422 0.000 2.095 383 F HA -0.182 4.384 4.527 0.065 0.000 0.298 383 F C 2.296 178.161 175.800 0.109 0.000 1.104 383 F CA 1.839 60.000 58.000 0.268 0.000 1.232 383 F CB -0.875 38.252 39.000 0.211 0.000 0.987 383 F HN -0.000 nan 8.300 nan 0.000 0.475 384 A N -0.382 122.558 122.820 0.199 0.000 1.898 384 A HA -0.141 4.219 4.320 0.065 0.000 0.216 384 A C 2.075 179.590 177.584 -0.115 0.000 1.181 384 A CA 1.928 54.001 52.037 0.060 0.000 0.620 384 A CB -0.635 18.451 19.000 0.144 0.000 0.819 384 A HN 0.581 nan 8.150 nan 0.000 0.442 385 E N -1.284 118.863 120.200 -0.087 0.000 2.162 385 E HA -0.059 4.330 4.350 0.065 0.000 0.193 385 E C 1.946 178.447 176.600 -0.165 0.000 0.953 385 E CA 0.444 56.729 56.400 -0.191 0.000 0.849 385 E CB -0.120 29.513 29.700 -0.112 0.000 0.810 385 E HN 0.551 nan 8.360 nan 0.000 0.470 386 N N 1.426 120.026 118.700 -0.167 0.000 2.176 386 N HA -0.166 4.613 4.740 0.065 0.000 0.187 386 N C 1.830 177.173 175.510 -0.279 0.000 1.043 386 N CA 1.405 54.300 53.050 -0.258 0.000 0.851 386 N CB 0.053 37.989 38.487 -0.918 0.000 1.018 386 N HN -0.057 nan 8.380 nan 0.000 0.436 387 E N 0.708 120.680 120.200 -0.380 0.000 2.153 387 E HA -0.084 4.305 4.350 0.065 0.000 0.194 387 E C 1.527 177.942 176.600 -0.309 0.000 0.988 387 E CA 1.399 57.648 56.400 -0.252 0.000 0.811 387 E CB -0.120 29.463 29.700 -0.196 0.000 0.746 387 E HN 0.503 nan 8.360 nan 0.000 0.466 388 Q N -0.330 119.220 119.800 -0.416 0.000 2.360 388 Q HA 0.284 4.663 4.340 0.065 0.000 0.202 388 Q C -0.086 175.795 176.000 -0.198 0.000 0.915 388 Q CA 0.181 55.786 55.803 -0.330 0.000 0.943 388 Q CB 0.644 29.161 28.738 -0.369 0.000 1.064 388 Q HN 0.208 nan 8.270 nan 0.000 0.511 389 A N 1.229 123.957 122.820 -0.154 0.000 2.477 389 A HA 0.474 4.833 4.320 0.065 0.000 0.246 389 A C -0.139 177.348 177.584 -0.162 0.000 1.078 389 A CA 0.083 52.013 52.037 -0.177 0.000 0.770 389 A CB 0.247 19.203 19.000 -0.074 0.000 1.011 389 A HN 0.274 nan 8.150 nan 0.000 0.494 390 A N 2.657 125.330 122.820 -0.244 0.000 2.291 390 A HA 0.715 5.075 4.320 0.065 0.000 0.311 390 A C -0.725 176.755 177.584 -0.174 0.000 1.224 390 A CA -0.417 51.541 52.037 -0.131 0.000 0.821 390 A CB 0.241 19.152 19.000 -0.149 0.000 1.172 390 A HN 0.660 nan 8.150 nan 0.000 0.494 391 F N 0.925 120.884 119.950 0.015 0.000 2.492 391 F HA 0.655 5.220 4.527 0.065 0.000 0.327 391 F C 0.298 176.080 175.800 -0.030 0.000 1.079 391 F CA -0.194 57.792 58.000 -0.023 0.000 0.967 391 F CB 2.052 40.978 39.000 -0.124 0.000 1.169 391 F HN 0.763 nan 8.300 nan 0.000 0.472 392 H N 2.979 121.925 119.070 -0.207 0.000 3.087 392 H HA 0.273 4.873 4.556 0.073 0.000 0.348 392 H C -2.500 172.457 175.328 -0.619 0.000 1.092 392 H CA -1.665 54.020 56.048 -0.605 0.000 1.285 392 H CB 2.794 32.132 29.762 -0.707 0.000 1.875 392 H HN 0.183 nan 8.280 nan 0.000 0.512 393 P HA 0.040 nan 4.420 nan 0.000 0.237 393 P C 1.154 178.353 177.300 -0.168 0.000 1.178 393 P CA 1.108 63.915 63.100 -0.488 0.000 0.766 393 P CB 0.181 31.645 31.700 -0.393 0.000 0.876 394 G N -0.725 107.778 108.800 -0.495 0.000 2.509 394 G HA2 -0.172 3.827 3.960 0.065 0.000 0.218 394 G HA3 -0.172 3.827 3.960 0.065 0.000 0.218 394 G C 0.511 175.645 174.900 0.389 0.000 1.124 394 G CA 0.083 45.265 45.100 0.136 0.000 0.776 394 G HN 0.434 nan 8.290 nan 0.000 0.547 395 H N 0.758 119.962 119.070 0.223 0.000 3.092 395 H HA 0.334 4.926 4.556 0.060 0.000 0.263 395 H C 0.627 176.062 175.328 0.178 0.000 1.611 395 H CA -0.817 55.319 56.048 0.148 0.000 1.457 395 H CB -0.089 29.723 29.762 0.084 0.000 1.731 395 H HN 0.381 nan 8.280 nan 0.000 0.532 396 I N -0.364 120.337 120.570 0.217 0.000 3.205 396 I HA 0.677 4.886 4.170 0.065 0.000 0.310 396 I C -0.082 176.013 176.117 -0.036 0.000 1.089 396 I CA -1.316 60.025 61.300 0.068 0.000 1.023 396 I CB 1.723 39.648 38.000 -0.124 0.000 1.269 396 I HN 0.108 nan 8.210 nan 0.000 0.512 397 V N -2.672 117.202 119.914 -0.067 0.000 3.160 397 V HA 0.666 4.825 4.120 0.065 0.000 0.310 397 V C -2.854 173.342 176.094 0.171 0.000 1.181 397 V CA -2.484 59.843 62.300 0.045 0.000 1.047 397 V CB 0.947 32.782 31.823 0.019 0.000 1.068 397 V HN 0.605 nan 8.190 nan 0.000 0.441 398 P HA 0.399 nan 4.420 nan 0.000 0.264 398 P C 0.875 178.182 177.300 0.012 0.000 1.193 398 P CA 1.990 65.171 63.100 0.136 0.000 0.763 398 P CB 0.803 32.557 31.700 0.090 0.000 0.810 399 G N 1.767 110.528 108.800 -0.066 0.000 2.218 399 G HA2 -0.162 3.837 3.960 0.065 0.000 0.216 399 G HA3 -0.162 3.837 3.960 0.065 0.000 0.216 399 G C -0.238 174.581 174.900 -0.136 0.000 0.994 399 G CA -0.406 44.633 45.100 -0.102 0.000 0.637 399 G HN 0.440 nan 8.290 nan 0.000 0.505 400 L N 0.079 121.235 121.223 -0.113 0.000 2.323 400 L HA 0.916 5.296 4.340 0.065 0.000 0.265 400 L C -0.461 176.351 176.870 -0.097 0.000 1.012 400 L CA -1.056 53.693 54.840 -0.151 0.000 0.820 400 L CB 2.054 43.946 42.059 -0.279 0.000 1.334 400 L HN 0.102 nan 8.230 nan 0.000 0.427 401 D N -0.585 119.741 120.400 -0.123 0.000 2.665 401 D HA 0.465 5.144 4.640 0.065 0.000 0.287 401 D C -1.246 174.977 176.300 -0.128 0.000 1.266 401 D CA -0.357 53.525 54.000 -0.197 0.000 0.830 401 D CB 1.917 42.676 40.800 -0.069 0.000 1.356 401 D HN 0.122 nan 8.370 nan 0.000 0.437 402 F N -0.201 119.871 119.950 0.203 0.000 2.364 402 F HA 0.525 5.092 4.527 0.066 0.000 0.316 402 F C 1.453 177.266 175.800 0.022 0.000 1.133 402 F CA -0.251 57.791 58.000 0.070 0.000 1.051 402 F CB 1.224 40.242 39.000 0.029 0.000 1.342 402 F HN 0.199 nan 8.300 nan 0.000 0.507 403 T N -3.230 111.416 114.554 0.153 0.000 2.742 403 T HA 0.304 4.693 4.350 0.065 0.000 0.282 403 T C -0.074 174.662 174.700 0.059 0.000 1.025 403 T CA -0.999 61.179 62.100 0.129 0.000 1.020 403 T CB 1.173 70.101 68.868 0.100 0.000 1.317 403 T HN 0.347 nan 8.240 nan 0.000 0.538 404 N N 1.133 119.873 118.700 0.066 0.000 2.434 404 N HA 0.053 4.832 4.740 0.065 0.000 0.196 404 N C 0.058 175.571 175.510 0.005 0.000 1.183 404 N CA 0.066 53.134 53.050 0.030 0.000 0.849 404 N CB -0.439 38.083 38.487 0.057 0.000 0.992 404 N HN 0.682 nan 8.380 nan 0.000 0.460 405 D N 2.223 122.609 120.400 -0.023 0.000 2.772 405 D HA -0.100 4.579 4.640 0.065 0.000 0.227 405 D C -1.436 174.843 176.300 -0.036 0.000 1.114 405 D CA -0.645 53.352 54.000 -0.004 0.000 0.832 405 D CB 1.239 41.974 40.800 -0.109 0.000 1.154 405 D HN 0.168 nan 8.370 nan 0.000 0.514 406 P HA -0.051 nan 4.420 nan 0.000 0.245 406 P C 1.509 178.814 177.300 0.009 0.000 1.206 406 P CA -0.048 63.058 63.100 0.010 0.000 0.781 406 P CB 0.506 32.209 31.700 0.004 0.000 0.994 407 L N -0.005 121.236 121.223 0.030 0.000 2.049 407 L HA -0.014 4.365 4.340 0.065 0.000 0.203 407 L C 2.393 179.149 176.870 -0.190 0.000 1.074 407 L CA 1.263 56.108 54.840 0.008 0.000 0.749 407 L CB -1.581 40.576 42.059 0.163 0.000 0.907 407 L HN -0.171 nan 8.230 nan 0.000 0.439 408 L N -0.398 120.513 121.223 -0.520 0.000 2.021 408 L HA -0.282 4.097 4.340 0.065 0.000 0.215 408 L C 2.500 179.103 176.870 -0.446 0.000 1.074 408 L CA 1.886 56.236 54.840 -0.816 0.000 0.760 408 L CB -0.923 40.456 42.059 -1.134 0.000 0.889 408 L HN 0.410 nan 8.230 nan 0.000 0.433 409 Q N -0.357 119.257 119.800 -0.311 0.000 2.061 409 Q HA -0.173 4.206 4.340 0.065 0.000 0.204 409 Q C 2.132 178.043 176.000 -0.148 0.000 0.984 409 Q CA 1.859 57.528 55.803 -0.224 0.000 0.846 409 Q CB -0.872 27.786 28.738 -0.133 0.000 0.902 409 Q HN 0.710 nan 8.270 nan 0.000 0.421 410 G N 0.659 109.404 108.800 -0.092 0.000 2.408 410 G HA2 -0.232 3.767 3.960 0.065 0.000 0.217 410 G HA3 -0.232 3.767 3.960 0.065 0.000 0.217 410 G C 1.523 176.429 174.900 0.010 0.000 1.150 410 G CA 0.335 45.427 45.100 -0.014 0.000 0.776 410 G HN 0.255 nan 8.290 nan 0.000 0.542 411 R N -0.060 120.394 120.500 -0.077 0.000 2.105 411 R HA -0.016 4.363 4.340 0.065 0.000 0.239 411 R C 2.539 178.905 176.300 0.109 0.000 1.135 411 R CA 1.050 57.160 56.100 0.017 0.000 0.967 411 R CB -0.529 29.737 30.300 -0.058 0.000 0.861 411 R HN 0.353 nan 8.270 nan 0.000 0.442 412 L N -0.394 120.787 121.223 -0.070 0.000 2.127 412 L HA -0.212 4.167 4.340 0.065 0.000 0.211 412 L C 2.306 179.304 176.870 0.214 0.000 1.089 412 L CA 1.153 55.975 54.840 -0.029 0.000 0.757 412 L CB -0.493 41.396 42.059 -0.283 0.000 0.899 412 L HN 0.161 nan 8.230 nan 0.000 0.434 413 F N 0.095 120.073 119.950 0.047 0.000 2.163 413 F HA -0.172 4.377 4.527 0.037 0.000 0.297 413 F C 2.753 178.598 175.800 0.074 0.000 1.094 413 F CA 1.543 59.572 58.000 0.048 0.000 1.290 413 F CB -0.198 38.808 39.000 0.010 0.000 1.017 413 F HN -0.045 nan 8.300 nan 0.000 0.483 414 S N -0.869 114.832 115.700 0.002 0.000 2.371 414 S HA -0.180 4.329 4.470 0.065 0.000 0.224 414 S C 2.017 176.488 174.600 -0.216 0.000 1.029 414 S CA 1.186 59.274 58.200 -0.187 0.000 0.978 414 S CB -0.753 62.364 63.200 -0.138 0.000 0.833 414 S HN 0.522 nan 8.310 nan 0.000 0.466 415 Y N 1.980 122.297 120.300 0.027 0.000 2.439 415 Y HA -0.051 4.536 4.550 0.061 0.000 0.292 415 Y C 2.959 178.560 175.900 -0.498 0.000 1.130 415 Y CA 1.310 59.457 58.100 0.079 0.000 1.254 415 Y CB -0.498 38.940 38.460 1.630 0.000 1.000 415 Y HN 0.495 nan 8.280 nan 0.000 0.554 416 T N -2.901 111.279 114.554 -0.623 0.000 2.894 416 T HA -0.131 4.258 4.350 0.065 0.000 0.258 416 T C 1.512 176.004 174.700 -0.346 0.000 1.043 416 T CA 1.125 62.946 62.100 -0.466 0.000 1.141 416 T CB -0.481 68.175 68.868 -0.353 0.000 0.873 416 T HN 0.231 nan 8.240 nan 0.000 0.449 417 D N 1.502 121.637 120.400 -0.441 0.000 2.092 417 D HA -0.155 4.524 4.640 0.065 0.000 0.193 417 D C 2.304 178.444 176.300 -0.266 0.000 0.994 417 D CA 1.984 55.739 54.000 -0.407 0.000 0.828 417 D CB -0.875 39.488 40.800 -0.728 0.000 0.963 417 D HN 0.349 nan 8.370 nan 0.000 0.450 418 T N -0.924 113.467 114.554 -0.273 0.000 2.778 418 T HA -0.175 4.214 4.350 0.065 0.000 0.269 418 T C 1.676 176.253 174.700 -0.205 0.000 1.050 418 T CA 1.451 63.432 62.100 -0.198 0.000 1.137 418 T CB -0.266 68.484 68.868 -0.196 0.000 0.860 418 T HN 0.169 nan 8.240 nan 0.000 0.468 419 Q N 0.631 120.236 119.800 -0.324 0.000 2.234 419 Q HA -0.034 4.345 4.340 0.065 0.000 0.206 419 Q C 2.270 178.155 176.000 -0.191 0.000 0.980 419 Q CA 0.802 56.358 55.803 -0.411 0.000 0.869 419 Q CB -0.519 27.567 28.738 -1.086 0.000 0.912 419 Q HN 0.513 nan 8.270 nan 0.000 0.436 420 I N 1.023 121.532 120.570 -0.102 0.000 2.286 420 I HA -0.212 3.997 4.170 0.065 0.000 0.248 420 I C 2.289 178.414 176.117 0.014 0.000 1.115 420 I CA 1.748 63.052 61.300 0.006 0.000 1.392 420 I CB -1.317 36.691 38.000 0.014 0.000 1.065 420 I HN 0.210 nan 8.210 nan 0.000 0.418 421 S N 0.115 115.807 115.700 -0.014 0.000 2.441 421 S HA -0.045 4.465 4.470 0.065 0.000 0.224 421 S C 2.146 176.748 174.600 0.002 0.000 1.043 421 S CA 0.073 58.277 58.200 0.007 0.000 0.948 421 S CB -0.287 62.917 63.200 0.006 0.000 0.810 421 S HN 0.310 nan 8.310 nan 0.000 0.504 422 R N 0.939 121.418 120.500 -0.035 0.000 2.075 422 R HA 0.191 4.571 4.340 0.065 0.000 0.232 422 R C 1.430 177.714 176.300 -0.027 0.000 1.126 422 R CA 1.333 57.413 56.100 -0.034 0.000 0.963 422 R CB -0.206 30.049 30.300 -0.075 0.000 0.858 422 R HN 0.442 nan 8.270 nan 0.000 0.435 423 L N -0.942 120.253 121.223 -0.046 0.000 2.808 423 L HA 0.345 4.724 4.340 0.065 0.000 0.246 423 L C 0.793 177.685 176.870 0.038 0.000 1.153 423 L CA 0.296 55.121 54.840 -0.024 0.000 0.956 423 L CB 1.180 43.216 42.059 -0.040 0.000 1.270 423 L HN 0.565 nan 8.230 nan 0.000 0.528 424 G N 0.070 108.914 108.800 0.074 0.000 2.159 424 G HA2 -0.097 3.902 3.960 0.065 0.000 0.256 424 G HA3 -0.097 3.902 3.960 0.065 0.000 0.256 424 G C 0.441 175.471 174.900 0.216 0.000 0.977 424 G CA 0.009 45.203 45.100 0.157 0.000 0.652 424 G HN 0.785 nan 8.290 nan 0.000 0.531 425 G N -1.587 107.327 108.800 0.190 0.000 2.356 425 G HA2 0.586 4.585 3.960 0.065 0.000 0.288 425 G HA3 0.586 4.585 3.960 0.065 0.000 0.288 425 G C -2.088 172.975 174.900 0.273 0.000 1.302 425 G CA 0.376 45.597 45.100 0.201 0.000 0.887 425 G HN 0.482 nan 8.290 nan 0.000 0.521 426 P HA 0.112 nan 4.420 nan 0.000 0.249 426 P C 0.404 177.735 177.300 0.051 0.000 1.229 426 P CA 0.382 63.600 63.100 0.197 0.000 0.788 426 P CB 0.177 31.944 31.700 0.111 0.000 1.072 427 N N 0.393 119.132 118.700 0.064 0.000 2.322 427 N HA 0.045 4.824 4.740 0.065 0.000 0.216 427 N C 1.101 176.485 175.510 -0.211 0.000 1.144 427 N CA -0.127 52.857 53.050 -0.109 0.000 0.830 427 N CB -0.702 37.752 38.487 -0.055 0.000 1.034 427 N HN 0.280 nan 8.380 nan 0.000 0.484 428 F N 1.021 120.961 119.950 -0.017 0.000 2.333 428 F HA -0.121 4.435 4.527 0.048 0.000 0.300 428 F C 2.239 177.977 175.800 -0.103 0.000 1.083 428 F CA 0.888 58.846 58.000 -0.070 0.000 1.395 428 F CB -0.829 38.148 39.000 -0.039 0.000 1.056 428 F HN 0.173 nan 8.300 nan 0.000 0.529 429 H N 0.514 119.188 119.070 -0.660 0.000 2.545 429 H HA 0.011 4.605 4.556 0.063 0.000 0.282 429 H C 0.887 176.050 175.328 -0.274 0.000 1.020 429 H CA 1.430 57.203 56.048 -0.458 0.000 1.243 429 H CB -0.853 28.504 29.762 -0.675 0.000 1.377 429 H HN 0.551 nan 8.280 nan 0.000 0.581 430 E N 0.920 120.701 120.200 -0.698 0.000 2.447 430 E HA 0.175 4.565 4.350 0.065 0.000 0.195 430 E C 0.394 176.871 176.600 -0.205 0.000 1.028 430 E CA -0.290 55.855 56.400 -0.425 0.000 0.876 430 E CB 0.482 29.942 29.700 -0.399 0.000 0.885 430 E HN 0.431 nan 8.360 nan 0.000 0.500 431 I N 2.743 123.215 120.570 -0.162 0.000 2.683 431 I HA -0.068 4.141 4.170 0.065 0.000 0.286 431 I C -1.560 174.494 176.117 -0.105 0.000 1.175 431 I CA -1.253 59.983 61.300 -0.106 0.000 1.429 431 I CB 0.451 38.403 38.000 -0.081 0.000 1.371 431 I HN -0.197 nan 8.210 nan 0.000 0.569 432 P HA -0.236 nan 4.420 nan 0.000 0.216 432 P C 1.770 178.995 177.300 -0.125 0.000 1.157 432 P CA 1.241 64.282 63.100 -0.099 0.000 0.880 432 P CB 0.163 31.811 31.700 -0.087 0.000 0.791 433 I N -0.541 119.928 120.570 -0.170 0.000 2.335 433 I HA -0.225 3.984 4.170 0.065 0.000 0.251 433 I C 1.366 177.403 176.117 -0.133 0.000 1.129 433 I CA 1.779 62.926 61.300 -0.257 0.000 1.402 433 I CB -0.660 37.071 38.000 -0.449 0.000 1.069 433 I HN -0.091 nan 8.210 nan 0.000 0.424 434 N N 0.605 119.244 118.700 -0.100 0.000 2.446 434 N HA 0.016 4.795 4.740 0.065 0.000 0.179 434 N C 0.368 175.878 175.510 0.001 0.000 1.054 434 N CA 0.257 53.277 53.050 -0.050 0.000 0.905 434 N CB -0.166 38.311 38.487 -0.016 0.000 0.973 434 N HN 0.383 nan 8.380 nan 0.000 0.448 435 R N 1.755 122.252 120.500 -0.005 0.000 2.489 435 R HA 0.136 4.516 4.340 0.065 0.000 0.287 435 R C -2.206 174.153 176.300 0.098 0.000 1.053 435 R CA -1.188 54.914 56.100 0.004 0.000 1.036 435 R CB -0.061 30.228 30.300 -0.018 0.000 0.966 435 R HN 0.044 nan 8.270 nan 0.000 0.432 436 P HA -0.030 nan 4.420 nan 0.000 0.269 436 P C 0.620 177.997 177.300 0.127 0.000 1.209 436 P CA 0.053 63.236 63.100 0.138 0.000 0.776 436 P CB 0.675 32.410 31.700 0.058 0.000 0.876 437 T N -1.501 113.145 114.554 0.153 0.000 3.054 437 T HA 0.216 4.605 4.350 0.065 0.000 0.259 437 T C 0.933 175.683 174.700 0.084 0.000 1.092 437 T CA 0.118 62.261 62.100 0.071 0.000 1.121 437 T CB -0.329 68.563 68.868 0.039 0.000 0.912 437 T HN 0.466 nan 8.240 nan 0.000 0.489 438 A N 2.998 125.882 122.820 0.107 0.000 2.386 438 A HA 0.555 4.915 4.320 0.065 0.000 0.248 438 A C -2.177 175.470 177.584 0.105 0.000 1.082 438 A CA -1.384 50.714 52.037 0.100 0.000 0.789 438 A CB -0.390 18.671 19.000 0.102 0.000 1.025 438 A HN 0.277 nan 8.150 nan 0.000 0.490 439 P HA 0.277 nan 4.420 nan 0.000 0.267 439 P C -1.055 176.324 177.300 0.131 0.000 1.200 439 P CA 0.658 63.830 63.100 0.121 0.000 0.772 439 P CB 0.094 31.908 31.700 0.191 0.000 0.855 440 Y N 0.644 120.834 120.300 -0.183 0.000 2.421 440 Y HA 0.682 5.270 4.550 0.065 0.000 0.339 440 Y C -1.366 174.198 175.900 -0.560 0.000 0.996 440 Y CA -0.992 56.979 58.100 -0.215 0.000 1.046 440 Y CB 1.496 39.852 38.460 -0.172 0.000 1.226 440 Y HN 0.417 nan 8.280 nan 0.000 0.445 441 H N 3.725 122.675 119.070 -0.201 0.000 2.947 441 H HA 0.525 5.120 4.556 0.065 0.000 0.354 441 H C -1.144 174.052 175.328 -0.221 0.000 1.085 441 H CA -0.769 55.075 56.048 -0.339 0.000 1.253 441 H CB 1.599 31.207 29.762 -0.256 0.000 1.757 441 H HN 0.899 nan 8.280 nan 0.000 0.523 442 N N 0.450 119.026 118.700 -0.206 0.000 3.449 442 N HA 0.195 4.975 4.740 0.065 0.000 0.312 442 N C -1.138 174.116 175.510 -0.428 0.000 1.557 442 N CA -0.920 51.961 53.050 -0.283 0.000 0.864 442 N CB 0.662 39.151 38.487 0.004 0.000 1.799 442 N HN 0.290 nan 8.380 nan 0.000 0.554 443 F N -0.332 119.660 119.950 0.071 0.000 2.639 443 F HA 0.372 4.934 4.527 0.058 0.000 0.302 443 F C 0.408 176.252 175.800 0.073 0.000 1.097 443 F CA -0.360 57.677 58.000 0.061 0.000 1.294 443 F CB 0.198 39.228 39.000 0.050 0.000 1.027 443 F HN 0.128 nan 8.300 nan 0.000 0.550 444 Q N 1.528 121.433 119.800 0.175 0.000 2.327 444 Q HA 0.445 4.824 4.340 0.065 0.000 0.254 444 Q C 0.033 176.110 176.000 0.128 0.000 0.952 444 Q CA -0.113 55.774 55.803 0.141 0.000 0.884 444 Q CB 1.097 29.895 28.738 0.099 0.000 1.224 444 Q HN 0.082 nan 8.270 nan 0.000 0.422 445 R N 1.531 122.100 120.500 0.114 0.000 2.799 445 R HA 0.353 4.733 4.340 0.065 0.000 0.270 445 R C -0.706 175.642 176.300 0.080 0.000 1.010 445 R CA -0.616 55.543 56.100 0.098 0.000 0.916 445 R CB 1.254 31.614 30.300 0.100 0.000 1.228 445 R HN 0.723 nan 8.270 nan 0.000 0.469 446 D N -0.206 120.233 120.400 0.065 0.000 3.455 446 D HA -0.162 4.517 4.640 0.065 0.000 0.216 446 D C 0.324 176.653 176.300 0.047 0.000 1.510 446 D CA 1.953 55.981 54.000 0.048 0.000 1.128 446 D CB -1.116 39.710 40.800 0.043 0.000 0.680 446 D HN 0.910 nan 8.370 nan 0.000 0.828 447 G N -1.169 107.653 108.800 0.036 0.000 2.712 447 G HA2 0.203 4.202 3.960 0.065 0.000 0.686 447 G HA3 0.203 4.202 3.960 0.065 0.000 0.686 447 G C -0.249 174.655 174.900 0.007 0.000 1.321 447 G CA 0.099 45.221 45.100 0.036 0.000 0.813 447 G HN 0.801 nan 8.290 nan 0.000 0.599 448 M N 2.392 121.982 119.600 -0.018 0.000 2.252 448 M HA 0.417 4.936 4.480 0.065 0.000 0.333 448 M C 1.449 177.687 176.300 -0.103 0.000 1.111 448 M CA 0.842 56.046 55.300 -0.160 0.000 1.140 448 M CB -0.437 32.017 32.600 -0.242 0.000 1.538 448 M HN 1.178 nan 8.290 nan 0.000 0.448 449 H N 0.311 119.386 119.070 0.008 0.000 2.839 449 H HA -0.169 4.424 4.556 0.062 0.000 0.298 449 H C -0.337 174.982 175.328 -0.015 0.000 1.224 449 H CA 0.690 56.738 56.048 0.000 0.000 1.144 449 H CB -1.847 27.917 29.762 0.003 0.000 1.372 449 H HN 0.609 nan 8.280 nan 0.000 0.408 450 R N 1.331 121.864 120.500 0.055 0.000 2.351 450 R HA 0.100 4.479 4.340 0.065 0.000 0.318 450 R C 1.310 177.625 176.300 0.024 0.000 1.055 450 R CA -0.060 56.060 56.100 0.033 0.000 0.968 450 R CB 0.321 30.637 30.300 0.028 0.000 0.974 450 R HN 0.149 nan 8.270 nan 0.000 0.439 451 M N 2.561 122.163 119.600 0.003 0.000 2.299 451 M HA 0.206 4.725 4.480 0.065 0.000 0.264 451 M C 0.980 177.278 176.300 -0.004 0.000 1.095 451 M CA 1.058 56.356 55.300 -0.004 0.000 1.165 451 M CB -0.883 31.700 32.600 -0.028 0.000 1.349 451 M HN 0.690 nan 8.290 nan 0.000 0.446 452 G N 1.894 110.694 108.800 0.000 0.000 2.365 452 G HA2 0.383 4.382 3.960 0.065 0.000 0.249 452 G HA3 0.383 4.382 3.960 0.065 0.000 0.249 452 G C -0.323 174.575 174.900 -0.002 0.000 1.288 452 G CA -0.387 44.711 45.100 -0.004 0.000 0.887 452 G HN 0.322 nan 8.290 nan 0.000 0.524 453 I N 2.914 123.476 120.570 -0.012 0.000 2.307 453 I HA 0.097 4.306 4.170 0.065 0.000 0.287 453 I C -0.246 175.864 176.117 -0.012 0.000 1.054 453 I CA -0.510 60.786 61.300 -0.005 0.000 1.218 453 I CB 0.852 38.850 38.000 -0.004 0.000 1.398 453 I HN 0.357 nan 8.210 nan 0.000 0.475 454 D N 4.844 125.242 120.400 -0.003 0.000 2.351 454 D HA 0.068 4.747 4.640 0.065 0.000 0.251 454 D C 1.205 177.509 176.300 0.006 0.000 1.137 454 D CA 0.223 54.218 54.000 -0.008 0.000 0.879 454 D CB 1.871 42.673 40.800 0.003 0.000 1.181 454 D HN 0.564 nan 8.370 nan 0.000 0.448 455 T N -0.870 113.683 114.554 -0.000 0.000 3.060 455 T HA -0.062 4.327 4.350 0.065 0.000 0.249 455 T C 0.865 175.578 174.700 0.022 0.000 1.079 455 T CA -0.515 61.590 62.100 0.008 0.000 1.013 455 T CB 0.164 69.030 68.868 -0.003 0.000 0.975 455 T HN 0.126 nan 8.240 nan 0.000 0.518 456 N N 3.362 122.077 118.700 0.026 0.000 2.411 456 N HA 0.081 4.860 4.740 0.065 0.000 0.265 456 N C -1.687 173.868 175.510 0.075 0.000 1.266 456 N CA -1.507 51.573 53.050 0.050 0.000 0.889 456 N CB 1.380 39.901 38.487 0.056 0.000 1.069 456 N HN 0.056 nan 8.380 nan 0.000 0.476 457 P HA -0.037 nan 4.420 nan 0.000 0.219 457 P C -0.526 176.841 177.300 0.111 0.000 1.146 457 P CA 0.956 64.106 63.100 0.083 0.000 0.808 457 P CB 0.185 31.929 31.700 0.074 0.000 0.779 458 A N 0.679 123.557 122.820 0.096 0.000 2.306 458 A HA 0.394 4.753 4.320 0.065 0.000 0.314 458 A C 0.487 178.184 177.584 0.189 0.000 1.164 458 A CA -0.631 51.423 52.037 0.029 0.000 0.822 458 A CB -0.037 18.814 19.000 -0.248 0.000 1.130 458 A HN 0.282 nan 8.150 nan 0.000 0.496 459 N N 0.249 119.097 118.700 0.247 0.000 2.416 459 N HA 0.377 5.156 4.740 0.065 0.000 0.267 459 N C -0.934 174.747 175.510 0.285 0.000 1.294 459 N CA -0.375 52.899 53.050 0.374 0.000 0.891 459 N CB 0.329 38.986 38.487 0.284 0.000 1.238 459 N HN 0.688 nan 8.380 nan 0.000 0.508 460 Y N -1.202 118.957 120.300 -0.235 0.000 2.609 460 Y HA 0.661 5.247 4.550 0.061 0.000 0.336 460 Y C -1.553 173.743 175.900 -1.006 0.000 1.129 460 Y CA -1.334 56.471 58.100 -0.492 0.000 1.040 460 Y CB 1.004 39.338 38.460 -0.210 0.000 1.310 460 Y HN 0.095 nan 8.280 nan 0.000 0.460 461 E N 0.955 120.675 120.200 -0.800 0.000 2.383 461 E HA 0.642 5.031 4.350 0.065 0.000 0.275 461 E C -3.162 173.325 176.600 -0.188 0.000 0.918 461 E CA -2.048 53.980 56.400 -0.619 0.000 0.764 461 E CB 1.575 30.854 29.700 -0.701 0.000 1.252 461 E HN 0.590 nan 8.360 nan 0.000 0.449 462 P HA 0.253 nan 4.420 nan 0.000 0.271 462 P C -1.257 175.984 177.300 -0.099 0.000 1.216 462 P CA -0.374 62.650 63.100 -0.126 0.000 0.776 462 P CB 0.439 32.103 31.700 -0.061 0.000 0.881 463 N N -1.183 117.385 118.700 -0.220 0.000 2.229 463 N HA 0.313 5.093 4.740 0.065 0.000 0.298 463 N C 0.331 175.785 175.510 -0.093 0.000 1.114 463 N CA -0.760 52.172 53.050 -0.198 0.000 0.776 463 N CB 1.487 39.553 38.487 -0.701 0.000 1.501 463 N HN 0.191 nan 8.380 nan 0.000 0.474 464 S N 0.920 116.615 115.700 -0.007 0.000 2.492 464 S HA -0.025 4.484 4.470 0.065 0.000 0.218 464 S C 1.589 176.197 174.600 0.014 0.000 1.016 464 S CA 0.104 58.302 58.200 -0.003 0.000 0.916 464 S CB -0.808 62.403 63.200 0.019 0.000 0.791 464 S HN 0.720 nan 8.310 nan 0.000 0.513 465 I N -0.632 119.956 120.570 0.029 0.000 2.756 465 I HA 0.169 4.378 4.170 0.065 0.000 0.262 465 I C 1.311 177.458 176.117 0.051 0.000 1.225 465 I CA 1.363 62.694 61.300 0.051 0.000 1.472 465 I CB -0.392 37.659 38.000 0.086 0.000 1.094 465 I HN 0.181 nan 8.210 nan 0.000 0.454 466 N N 1.149 119.873 118.700 0.040 0.000 2.291 466 N HA 0.038 4.817 4.740 0.065 0.000 0.244 466 N C -0.076 175.532 175.510 0.164 0.000 1.216 466 N CA -0.049 53.068 53.050 0.110 0.000 0.879 466 N CB 0.001 38.570 38.487 0.136 0.000 1.167 466 N HN 0.214 nan 8.380 nan 0.000 0.515 467 D N 0.764 121.206 120.400 0.071 0.000 2.751 467 D HA -0.261 4.418 4.640 0.065 0.000 0.233 467 D C -0.055 176.116 176.300 -0.214 0.000 1.149 467 D CA 1.083 55.083 54.000 -0.001 0.000 0.682 467 D CB -1.353 39.523 40.800 0.128 0.000 1.068 467 D HN 0.475 nan 8.370 nan 0.000 0.429 468 N N -1.731 116.876 118.700 -0.155 0.000 2.800 468 N HA -0.247 4.532 4.740 0.065 0.000 0.250 468 N C -0.755 174.655 175.510 -0.166 0.000 1.078 468 N CA 1.390 54.318 53.050 -0.204 0.000 0.804 468 N CB -1.338 36.982 38.487 -0.278 0.000 1.135 468 N HN 0.550 nan 8.380 nan 0.000 0.565 469 W N 1.081 122.432 121.300 0.084 0.000 2.313 469 W HA 0.405 5.103 4.660 0.063 0.000 0.328 469 W C -1.611 174.961 176.519 0.089 0.000 1.197 469 W CA -1.599 55.781 57.345 0.057 0.000 1.235 469 W CB 0.519 29.964 29.460 -0.025 0.000 1.158 469 W HN -0.019 nan 8.180 nan 0.000 0.578 470 P HA 0.173 nan 4.420 nan 0.000 0.275 470 P C -0.710 176.726 177.300 0.227 0.000 1.228 470 P CA -0.122 63.117 63.100 0.231 0.000 0.786 470 P CB 0.900 32.585 31.700 -0.026 0.000 0.927 471 R N 1.292 121.906 120.500 0.189 0.000 2.540 471 R HA 0.295 4.674 4.340 0.065 0.000 0.287 471 R C 0.330 176.667 176.300 0.061 0.000 0.980 471 R CA -0.808 55.282 56.100 -0.018 0.000 0.966 471 R CB 1.049 31.127 30.300 -0.370 0.000 1.106 471 R HN 0.497 nan 8.270 nan 0.000 0.480 472 E N 0.868 121.093 120.200 0.042 0.000 2.467 472 E HA -0.028 4.361 4.350 0.065 0.000 0.264 472 E C -0.518 176.108 176.600 0.042 0.000 1.020 472 E CA 0.838 57.270 56.400 0.054 0.000 0.945 472 E CB 0.550 30.270 29.700 0.034 0.000 0.942 472 E HN 0.363 nan 8.360 nan 0.000 0.449 473 T N 3.797 118.387 114.554 0.060 0.000 2.848 473 T HA 0.346 4.735 4.350 0.065 0.000 0.285 473 T C -2.409 172.317 174.700 0.043 0.000 0.995 473 T CA -1.581 60.553 62.100 0.055 0.000 0.970 473 T CB 1.502 70.415 68.868 0.075 0.000 0.976 473 T HN 0.242 nan 8.240 nan 0.000 0.441 474 P HA 0.223 nan 4.420 nan 0.000 0.268 474 P C -2.428 174.879 177.300 0.013 0.000 1.208 474 P CA -1.152 61.957 63.100 0.015 0.000 0.777 474 P CB -0.324 31.381 31.700 0.007 0.000 0.875 475 P HA 0.322 nan 4.420 nan 0.000 0.272 475 P C -0.008 177.282 177.300 -0.017 0.000 1.230 475 P CA 0.278 63.366 63.100 -0.021 0.000 0.788 475 P CB 0.791 32.458 31.700 -0.056 0.000 0.949 476 G N 0.332 109.121 108.800 -0.019 0.000 2.427 476 G HA2 0.313 4.312 3.960 0.065 0.000 0.306 476 G HA3 0.313 4.312 3.960 0.065 0.000 0.306 476 G C -2.572 172.319 174.900 -0.016 0.000 1.280 476 G CA -0.610 44.481 45.100 -0.015 0.000 0.837 476 G HN 0.103 nan 8.290 nan 0.000 0.482 477 P HA 0.127 nan 4.420 nan 0.000 0.218 477 P C 0.220 177.516 177.300 -0.005 0.000 1.149 477 P CA 1.224 64.317 63.100 -0.012 0.000 0.817 477 P CB 0.128 31.824 31.700 -0.007 0.000 0.785 478 K N -2.374 118.030 120.400 0.006 0.000 2.551 478 K HA 0.379 4.738 4.320 0.065 0.000 0.269 478 K C -0.355 176.262 176.600 0.028 0.000 0.949 478 K CA -0.910 55.388 56.287 0.018 0.000 0.849 478 K CB 1.736 34.248 32.500 0.020 0.000 1.411 478 K HN -0.347 nan 8.250 nan 0.000 0.432 479 R N -0.467 120.058 120.500 0.041 0.000 3.610 479 R HA -0.164 4.216 4.340 0.065 0.000 0.274 479 R C 0.010 176.341 176.300 0.052 0.000 1.123 479 R CA 1.007 57.138 56.100 0.052 0.000 0.747 479 R CB -2.254 28.076 30.300 0.051 0.000 1.149 479 R HN 0.909 nan 8.270 nan 0.000 0.471 480 G N -0.643 108.183 108.800 0.044 0.000 2.502 480 G HA2 0.577 4.576 3.960 0.065 0.000 0.305 480 G HA3 0.577 4.576 3.960 0.065 0.000 0.305 480 G C 0.364 175.300 174.900 0.060 0.000 1.190 480 G CA 0.083 45.207 45.100 0.039 0.000 0.933 480 G HN 0.249 nan 8.290 nan 0.000 0.503 481 G N -1.211 107.625 108.800 0.059 0.000 2.527 481 G HA2 0.392 4.391 3.960 0.065 0.000 0.248 481 G HA3 0.392 4.391 3.960 0.065 0.000 0.248 481 G C -0.569 174.390 174.900 0.098 0.000 1.231 481 G CA -0.536 44.620 45.100 0.094 0.000 0.838 481 G HN 0.462 nan 8.290 nan 0.000 0.570 482 F N 0.785 120.751 119.950 0.027 0.000 2.504 482 F HA 0.333 4.902 4.527 0.070 0.000 0.369 482 F C 0.619 176.434 175.800 0.025 0.000 1.082 482 F CA -0.147 57.864 58.000 0.019 0.000 1.216 482 F CB 0.750 39.764 39.000 0.023 0.000 1.108 482 F HN 0.459 nan 8.300 nan 0.000 0.554 483 E N 4.151 124.000 120.200 -0.583 0.000 2.222 483 E HA 0.330 4.719 4.350 0.065 0.000 0.267 483 E C -1.058 175.168 176.600 -0.623 0.000 0.884 483 E CA -0.834 55.337 56.400 -0.382 0.000 0.764 483 E CB 1.554 31.136 29.700 -0.196 0.000 1.169 483 E HN 0.612 nan 8.360 nan 0.000 0.413 484 S N 2.500 118.078 115.700 -0.204 0.000 2.564 484 S HA 0.018 4.527 4.470 0.065 0.000 0.278 484 S C -0.601 173.968 174.600 -0.052 0.000 1.333 484 S CA -0.373 57.794 58.200 -0.054 0.000 1.048 484 S CB 0.163 63.469 63.200 0.177 0.000 0.900 484 S HN 0.474 nan 8.310 nan 0.000 0.505 485 Y N 2.640 122.863 120.300 -0.129 0.000 2.717 485 Y HA -0.028 4.561 4.550 0.064 0.000 0.330 485 Y C 0.845 176.719 175.900 -0.044 0.000 1.217 485 Y CA 0.187 58.226 58.100 -0.102 0.000 1.506 485 Y CB 0.194 38.591 38.460 -0.105 0.000 1.268 485 Y HN 0.583 nan 8.280 nan 0.000 0.561 486 Q N 5.343 124.736 119.800 -0.678 0.000 3.254 486 Q HA 0.009 4.388 4.340 0.065 0.000 0.315 486 Q C -0.264 175.428 176.000 -0.512 0.000 1.405 486 Q CA -0.020 55.510 55.803 -0.455 0.000 0.966 486 Q CB -0.221 28.322 28.738 -0.324 0.000 1.706 486 Q HN 0.643 nan 8.270 nan 0.000 0.525 487 E N 1.465 121.473 120.200 -0.320 0.000 2.414 487 E HA -0.006 4.383 4.350 0.065 0.000 0.263 487 E C -0.224 176.352 176.600 -0.041 0.000 1.000 487 E CA -0.514 55.836 56.400 -0.084 0.000 0.914 487 E CB 0.625 30.414 29.700 0.148 0.000 0.948 487 E HN 0.117 nan 8.360 nan 0.000 0.444 488 R N 3.087 123.584 120.500 -0.006 0.000 2.449 488 R HA 0.139 4.519 4.340 0.065 0.000 0.296 488 R C -1.419 174.908 176.300 0.045 0.000 1.047 488 R CA -0.018 56.091 56.100 0.014 0.000 1.018 488 R CB 0.557 30.873 30.300 0.028 0.000 0.962 488 R HN 0.287 nan 8.270 nan 0.000 0.428 489 V N 5.243 125.176 119.914 0.031 0.000 2.448 489 V HA 0.414 4.573 4.120 0.065 0.000 0.295 489 V C -0.479 175.631 176.094 0.026 0.000 1.025 489 V CA -0.585 61.737 62.300 0.037 0.000 0.859 489 V CB 1.642 33.484 31.823 0.031 0.000 0.988 489 V HN 0.806 nan 8.190 nan 0.000 0.431 490 E N 2.952 123.169 120.200 0.028 0.000 2.281 490 E HA 0.714 5.103 4.350 0.065 0.000 0.266 490 E C -0.142 176.466 176.600 0.013 0.000 0.893 490 E CA -0.486 55.924 56.400 0.017 0.000 0.798 490 E CB 2.397 32.106 29.700 0.016 0.000 1.245 490 E HN 0.972 nan 8.360 nan 0.000 0.410 491 G N 2.352 111.155 108.800 0.005 0.000 2.338 491 G HA2 0.168 4.167 3.960 0.065 0.000 0.295 491 G HA3 0.168 4.167 3.960 0.065 0.000 0.295 491 G C -1.475 173.421 174.900 -0.007 0.000 1.461 491 G CA -1.028 44.072 45.100 -0.001 0.000 0.817 491 G HN 0.354 nan 8.290 nan 0.000 0.556 492 N N -0.055 118.637 118.700 -0.012 0.000 2.495 492 N HA 0.430 5.210 4.740 0.065 0.000 0.280 492 N C -0.167 175.331 175.510 -0.019 0.000 1.168 492 N CA -0.556 52.485 53.050 -0.014 0.000 0.978 492 N CB 0.974 39.452 38.487 -0.016 0.000 1.191 492 N HN 0.432 nan 8.380 nan 0.000 0.497 493 K N 1.009 121.397 120.400 -0.020 0.000 2.351 493 K HA 0.152 4.511 4.320 0.065 0.000 0.287 493 K C -0.688 175.892 176.600 -0.033 0.000 1.068 493 K CA -0.119 56.152 56.287 -0.026 0.000 0.998 493 K CB -0.341 32.145 32.500 -0.024 0.000 0.968 493 K HN 0.339 nan 8.250 nan 0.000 0.464 494 V N 0.263 120.152 119.914 -0.041 0.000 2.876 494 V HA 0.479 4.638 4.120 0.065 0.000 0.312 494 V C -0.509 175.547 176.094 -0.064 0.000 1.085 494 V CA -1.328 60.943 62.300 -0.048 0.000 0.945 494 V CB 2.033 33.829 31.823 -0.045 0.000 1.017 494 V HN 0.605 nan 8.190 nan 0.000 0.428 495 R N 2.427 122.885 120.500 -0.070 0.000 2.369 495 R HA 0.606 4.985 4.340 0.065 0.000 0.310 495 R C -0.523 175.730 176.300 -0.079 0.000 1.141 495 R CA -0.136 55.909 56.100 -0.091 0.000 1.116 495 R CB 0.828 31.062 30.300 -0.111 0.000 1.135 495 R HN 0.938 nan 8.270 nan 0.000 0.529 496 E N 2.018 122.168 120.200 -0.083 0.000 2.335 496 E HA 0.222 4.611 4.350 0.065 0.000 0.280 496 E C -1.313 175.220 176.600 -0.111 0.000 0.918 496 E CA -1.007 55.346 56.400 -0.077 0.000 0.765 496 E CB 1.701 31.362 29.700 -0.066 0.000 1.218 496 E HN 0.136 nan 8.360 nan 0.000 0.425 497 R N 1.771 122.209 120.500 -0.103 0.000 2.340 497 R HA 0.214 4.594 4.340 0.065 0.000 0.300 497 R C -0.530 175.650 176.300 -0.201 0.000 1.069 497 R CA 0.062 56.060 56.100 -0.169 0.000 0.984 497 R CB 1.161 31.421 30.300 -0.067 0.000 1.003 497 R HN 0.388 nan 8.270 nan 0.000 0.459 498 S N 5.152 120.621 115.700 -0.385 0.000 2.546 498 S HA 0.063 4.572 4.470 0.065 0.000 0.290 498 S C -1.486 173.087 174.600 -0.046 0.000 1.290 498 S CA -1.098 56.967 58.200 -0.226 0.000 1.069 498 S CB 0.585 63.607 63.200 -0.298 0.000 0.846 498 S HN 0.555 nan 8.310 nan 0.000 0.495 499 P HA -0.113 nan 4.420 nan 0.000 0.217 499 P C 1.459 178.815 177.300 0.092 0.000 1.148 499 P CA 1.327 64.451 63.100 0.040 0.000 0.828 499 P CB -0.124 31.590 31.700 0.024 0.000 0.783 500 S N -2.358 113.437 115.700 0.159 0.000 2.507 500 S HA -0.083 4.427 4.470 0.065 0.000 0.235 500 S C 1.420 176.173 174.600 0.256 0.000 0.988 500 S CA 0.700 59.017 58.200 0.196 0.000 0.944 500 S CB -1.325 62.022 63.200 0.244 0.000 0.762 500 S HN -0.008 nan 8.310 nan 0.000 0.526 501 F N 2.262 122.201 119.950 -0.018 0.000 2.789 501 F HA 0.375 4.941 4.527 0.065 0.000 0.300 501 F C 1.997 177.725 175.800 -0.119 0.000 1.132 501 F CA -0.681 57.305 58.000 -0.024 0.000 1.404 501 F CB -0.472 38.546 39.000 0.030 0.000 1.114 501 F HN 0.357 nan 8.300 nan 0.000 0.584 502 G N 0.207 108.993 108.800 -0.022 0.000 3.530 502 G HA2 0.071 4.070 3.960 0.065 0.000 0.269 502 G HA3 0.071 4.070 3.960 0.065 0.000 0.269 502 G C -0.015 174.432 174.900 -0.754 0.000 1.314 502 G CA 0.121 45.027 45.100 -0.324 0.000 1.441 502 G HN 0.039 nan 8.290 nan 0.000 0.595 503 E N -0.069 119.627 120.200 -0.840 0.000 2.275 503 E HA 0.378 4.767 4.350 0.065 0.000 0.270 503 E C -0.929 175.252 176.600 -0.699 0.000 0.882 503 E CA -0.783 55.207 56.400 -0.683 0.000 0.758 503 E CB 1.641 31.187 29.700 -0.257 0.000 1.195 503 E HN 0.177 nan 8.360 nan 0.000 0.419 504 Y N 2.470 122.563 120.300 -0.344 0.000 2.448 504 Y HA 0.191 4.780 4.550 0.065 0.000 0.257 504 Y C 0.737 176.370 175.900 -0.446 0.000 1.089 504 Y CA -0.135 57.675 58.100 -0.482 0.000 1.245 504 Y CB 0.389 38.418 38.460 -0.719 0.000 1.282 504 Y HN 0.421 nan 8.280 nan 0.000 0.529 505 Y N -1.699 118.690 120.300 0.149 0.000 2.535 505 Y HA 0.161 4.750 4.550 0.066 0.000 0.266 505 Y C 2.237 178.203 175.900 0.110 0.000 1.088 505 Y CA 0.241 58.422 58.100 0.136 0.000 1.285 505 Y CB -0.220 38.323 38.460 0.139 0.000 1.166 505 Y HN -0.133 nan 8.280 nan 0.000 0.525 506 S N -0.661 115.171 115.700 0.221 0.000 2.383 506 S HA -0.158 4.351 4.470 0.065 0.000 0.227 506 S C 1.630 176.315 174.600 0.142 0.000 1.026 506 S CA 1.281 59.597 58.200 0.193 0.000 0.981 506 S CB -0.385 62.937 63.200 0.202 0.000 0.818 506 S HN 0.576 nan 8.310 nan 0.000 0.472 507 H N 0.830 119.816 119.070 -0.141 0.000 2.363 507 H HA 0.012 4.608 4.556 0.066 0.000 0.301 507 H C -0.570 174.563 175.328 -0.326 0.000 1.074 507 H CA 0.954 56.767 56.048 -0.391 0.000 1.354 507 H CB -1.272 28.011 29.762 -0.798 0.000 1.397 507 H HN 0.316 nan 8.280 nan 0.000 0.516 508 P HA -0.179 nan 4.420 nan 0.000 0.215 508 P C 1.655 179.148 177.300 0.322 0.000 1.157 508 P CA 1.488 64.753 63.100 0.276 0.000 0.874 508 P CB -0.102 31.777 31.700 0.298 0.000 0.790 509 R N -0.438 120.202 120.500 0.233 0.000 2.081 509 R HA -0.137 4.242 4.340 0.065 0.000 0.235 509 R C 2.127 178.564 176.300 0.227 0.000 1.131 509 R CA 1.185 57.428 56.100 0.238 0.000 0.960 509 R CB -1.077 29.323 30.300 0.168 0.000 0.856 509 R HN 0.058 nan 8.270 nan 0.000 0.436 510 L N 0.525 121.823 121.223 0.124 0.000 2.012 510 L HA -0.147 4.232 4.340 0.065 0.000 0.210 510 L C 1.999 178.928 176.870 0.098 0.000 1.073 510 L CA 1.782 56.655 54.840 0.055 0.000 0.748 510 L CB -0.857 41.156 42.059 -0.077 0.000 0.891 510 L HN 0.238 nan 8.230 nan 0.000 0.431 511 F N -0.571 119.401 119.950 0.038 0.000 2.069 511 F HA -0.313 4.254 4.527 0.066 0.000 0.298 511 F C 2.380 178.179 175.800 -0.003 0.000 1.113 511 F CA 2.403 60.405 58.000 0.004 0.000 1.214 511 F CB -0.723 38.315 39.000 0.063 0.000 0.978 511 F HN 0.413 nan 8.300 nan 0.000 0.474 512 W N 1.326 122.626 121.300 0.001 0.000 2.318 512 W HA -0.270 4.429 4.660 0.065 0.000 0.313 512 W C 1.780 178.185 176.519 -0.190 0.000 1.221 512 W CA 1.919 59.217 57.345 -0.079 0.000 1.266 512 W CB -0.752 28.744 29.460 0.060 0.000 1.150 512 W HN 0.102 nan 8.180 nan 0.000 0.496 513 L N 1.058 122.191 121.223 -0.150 0.000 2.376 513 L HA -0.140 4.239 4.340 0.065 0.000 0.219 513 L C 2.310 178.982 176.870 -0.330 0.000 1.133 513 L CA 0.984 55.668 54.840 -0.260 0.000 0.816 513 L CB -0.620 41.417 42.059 -0.036 0.000 0.933 513 L HN -0.136 nan 8.230 nan 0.000 0.449 514 S N -1.461 114.023 115.700 -0.359 0.000 2.593 514 S HA 0.068 4.577 4.470 0.065 0.000 0.217 514 S C 0.710 175.016 174.600 -0.491 0.000 0.966 514 S CA 0.014 57.999 58.200 -0.359 0.000 0.914 514 S CB 0.062 63.078 63.200 -0.306 0.000 0.776 514 S HN 0.279 nan 8.310 nan 0.000 0.523 515 Q N 2.112 121.517 119.800 -0.659 0.000 2.260 515 Q HA 0.295 4.674 4.340 0.065 0.000 0.242 515 Q C 0.601 176.208 176.000 -0.656 0.000 0.932 515 Q CA -0.111 55.264 55.803 -0.714 0.000 0.891 515 Q CB 0.520 28.765 28.738 -0.821 0.000 1.222 515 Q HN 0.417 nan 8.270 nan 0.000 0.453 516 T N -1.996 112.127 114.554 -0.718 0.000 2.766 516 T HA 0.166 4.556 4.350 0.065 0.000 0.295 516 T C -1.768 172.471 174.700 -0.768 0.000 1.024 516 T CA -1.313 60.330 62.100 -0.762 0.000 1.018 516 T CB 0.350 68.521 68.868 -1.162 0.000 1.002 516 T HN 0.219 nan 8.240 nan 0.000 0.532 517 P HA -0.018 nan 4.420 nan 0.000 0.217 517 P C 1.360 178.452 177.300 -0.347 0.000 1.150 517 P CA 0.956 63.841 63.100 -0.359 0.000 0.832 517 P CB -0.245 31.364 31.700 -0.152 0.000 0.787 518 F N -0.193 119.565 119.950 -0.320 0.000 2.234 518 F HA 0.018 4.584 4.527 0.065 0.000 0.299 518 F C 1.799 177.231 175.800 -0.614 0.000 1.087 518 F CA 0.875 58.619 58.000 -0.427 0.000 1.340 518 F CB -1.635 37.096 39.000 -0.448 0.000 1.031 518 F HN -0.090 nan 8.300 nan 0.000 0.500 519 E N 0.541 120.158 120.200 -0.971 0.000 2.106 519 E HA -0.199 4.190 4.350 0.065 0.000 0.192 519 E C 2.225 178.626 176.600 -0.332 0.000 0.984 519 E CA 1.342 57.386 56.400 -0.594 0.000 0.806 519 E CB -0.269 29.038 29.700 -0.655 0.000 0.750 519 E HN 0.622 nan 8.360 nan 0.000 0.458 520 Q N 0.412 119.943 119.800 -0.447 0.000 2.050 520 Q HA -0.185 4.194 4.340 0.065 0.000 0.202 520 Q C 2.327 178.364 176.000 0.061 0.000 0.980 520 Q CA 1.114 56.697 55.803 -0.366 0.000 0.840 520 Q CB -0.204 28.062 28.738 -0.786 0.000 0.898 520 Q HN 0.143 nan 8.270 nan 0.000 0.424 521 R N 0.333 120.841 120.500 0.013 0.000 2.103 521 R HA -0.201 4.178 4.340 0.065 0.000 0.242 521 R C 1.773 178.258 176.300 0.309 0.000 1.142 521 R CA 1.843 58.044 56.100 0.167 0.000 0.960 521 R CB -0.240 30.141 30.300 0.136 0.000 0.858 521 R HN 0.525 nan 8.270 nan 0.000 0.439 522 H N -0.520 118.643 119.070 0.154 0.000 2.423 522 H HA -0.046 4.549 4.556 0.065 0.000 0.297 522 H C 2.255 177.700 175.328 0.195 0.000 1.075 522 H CA 1.110 57.264 56.048 0.177 0.000 1.342 522 H CB 0.056 29.927 29.762 0.182 0.000 1.395 522 H HN 0.224 nan 8.280 nan 0.000 0.530 523 I N 0.295 121.080 120.570 0.359 0.000 2.142 523 I HA -0.270 3.939 4.170 0.065 0.000 0.240 523 I C 2.331 178.743 176.117 0.492 0.000 1.078 523 I CA 0.860 62.410 61.300 0.416 0.000 1.343 523 I CB -0.193 38.150 38.000 0.573 0.000 1.046 523 I HN 0.078 nan 8.210 nan 0.000 0.405 524 V N 0.879 121.078 119.914 0.475 0.000 2.324 524 V HA -0.350 3.809 4.120 0.065 0.000 0.250 524 V C 2.044 178.318 176.094 0.300 0.000 1.060 524 V CA 2.184 64.706 62.300 0.370 0.000 1.042 524 V CB -0.661 31.335 31.823 0.289 0.000 0.650 524 V HN 0.431 nan 8.190 nan 0.000 0.450 525 D N 0.083 120.643 120.400 0.266 0.000 2.149 525 D HA -0.054 4.625 4.640 0.065 0.000 0.201 525 D C 2.173 178.562 176.300 0.147 0.000 0.972 525 D CA 1.418 55.542 54.000 0.206 0.000 0.835 525 D CB -0.588 40.335 40.800 0.206 0.000 0.966 525 D HN 0.456 nan 8.370 nan 0.000 0.476 526 G N 0.214 109.078 108.800 0.106 0.000 2.480 526 G HA2 -0.267 3.732 3.960 0.065 0.000 0.216 526 G HA3 -0.267 3.732 3.960 0.065 0.000 0.216 526 G C 1.469 176.373 174.900 0.007 0.000 1.200 526 G CA 0.338 45.408 45.100 -0.050 0.000 0.782 526 G HN 0.175 nan 8.290 nan 0.000 0.554 527 F N 1.799 121.793 119.950 0.074 0.000 2.091 527 F HA -0.120 4.446 4.527 0.065 0.000 0.299 527 F C 3.208 178.925 175.800 -0.139 0.000 1.103 527 F CA 1.686 59.657 58.000 -0.048 0.000 1.228 527 F CB -0.476 38.496 39.000 -0.046 0.000 0.984 527 F HN 0.088 nan 8.300 nan 0.000 0.477 528 S N -0.085 115.717 115.700 0.169 0.000 2.356 528 S HA -0.229 4.280 4.470 0.065 0.000 0.223 528 S C 1.871 176.489 174.600 0.029 0.000 1.032 528 S CA 1.396 59.637 58.200 0.067 0.000 1.005 528 S CB -0.852 62.410 63.200 0.103 0.000 0.867 528 S HN 0.399 nan 8.310 nan 0.000 0.449 529 F N 2.516 122.434 119.950 -0.053 0.000 2.102 529 F HA -0.128 4.438 4.527 0.065 0.000 0.298 529 F C 2.371 178.113 175.800 -0.097 0.000 1.105 529 F CA 1.559 59.516 58.000 -0.071 0.000 1.239 529 F CB -0.263 38.640 39.000 -0.162 0.000 0.991 529 F HN 0.144 nan 8.300 nan 0.000 0.474 530 E N 0.475 120.641 120.200 -0.056 0.000 2.051 530 E HA -0.199 4.190 4.350 0.065 0.000 0.192 530 E C 2.353 178.755 176.600 -0.330 0.000 0.991 530 E CA 1.602 57.937 56.400 -0.109 0.000 0.799 530 E CB -0.497 29.291 29.700 0.147 0.000 0.748 530 E HN 0.470 nan 8.360 nan 0.000 0.449 531 L N 1.378 122.321 121.223 -0.467 0.000 2.291 531 L HA -0.107 4.272 4.340 0.065 0.000 0.214 531 L C 2.684 179.390 176.870 -0.274 0.000 1.120 531 L CA 0.914 55.462 54.840 -0.487 0.000 0.799 531 L CB -0.406 41.374 42.059 -0.465 0.000 0.925 531 L HN 0.139 nan 8.230 nan 0.000 0.446 532 S N -0.560 114.993 115.700 -0.247 0.000 2.447 532 S HA -0.107 4.402 4.470 0.065 0.000 0.233 532 S C 1.724 176.210 174.600 -0.189 0.000 1.006 532 S CA 0.629 58.712 58.200 -0.195 0.000 0.957 532 S CB -0.071 63.017 63.200 -0.186 0.000 0.773 532 S HN 0.280 nan 8.310 nan 0.000 0.507 533 K N 1.243 121.510 120.400 -0.222 0.000 2.374 533 K HA 0.345 4.704 4.320 0.065 0.000 0.196 533 K C -0.078 176.518 176.600 -0.006 0.000 1.023 533 K CA -0.033 56.185 56.287 -0.114 0.000 1.103 533 K CB 0.109 32.536 32.500 -0.121 0.000 0.848 533 K HN 0.324 nan 8.250 nan 0.000 0.528 534 V N 2.145 122.034 119.914 -0.042 0.000 2.455 534 V HA 0.004 4.163 4.120 0.065 0.000 0.273 534 V C 1.756 177.837 176.094 -0.022 0.000 1.045 534 V CA -0.075 62.228 62.300 0.004 0.000 0.976 534 V CB 1.336 33.130 31.823 -0.048 0.000 0.993 534 V HN -0.128 nan 8.190 nan 0.000 0.475 535 V N 5.026 124.948 119.914 0.014 0.000 2.488 535 V HA -0.022 4.137 4.120 0.065 0.000 0.246 535 V C 1.326 177.404 176.094 -0.026 0.000 1.046 535 V CA 1.184 63.488 62.300 0.006 0.000 1.053 535 V CB -0.408 31.435 31.823 0.033 0.000 0.679 535 V HN 0.767 nan 8.190 nan 0.000 0.458 536 R N 0.962 121.421 120.500 -0.068 0.000 2.242 536 R HA 0.169 4.548 4.340 0.065 0.000 0.334 536 R C -1.778 174.396 176.300 -0.210 0.000 1.071 536 R CA -1.305 54.720 56.100 -0.125 0.000 0.922 536 R CB 0.599 30.754 30.300 -0.242 0.000 1.023 536 R HN 0.254 nan 8.270 nan 0.000 0.458 537 P HA -0.169 nan 4.420 nan 0.000 0.219 537 P C 0.688 177.938 177.300 -0.083 0.000 1.150 537 P CA 0.938 63.997 63.100 -0.069 0.000 0.814 537 P CB 0.017 31.719 31.700 0.002 0.000 0.787 538 Y N -1.151 119.149 120.300 0.001 0.000 2.315 538 Y HA -0.123 4.466 4.550 0.065 0.000 0.288 538 Y C 1.836 177.742 175.900 0.011 0.000 1.154 538 Y CA 0.803 58.905 58.100 0.003 0.000 1.229 538 Y CB -1.807 36.655 38.460 0.003 0.000 0.980 538 Y HN -0.095 nan 8.280 nan 0.000 0.540 539 I N 0.794 120.955 120.570 -0.681 0.000 2.286 539 I HA -0.212 3.997 4.170 0.065 0.000 0.245 539 I C 2.486 178.517 176.117 -0.144 0.000 1.104 539 I CA 1.168 62.239 61.300 -0.382 0.000 1.397 539 I CB -0.333 37.445 38.000 -0.369 0.000 1.072 539 I HN 0.173 nan 8.210 nan 0.000 0.417 540 R N 0.859 121.263 120.500 -0.159 0.000 2.091 540 R HA -0.194 4.185 4.340 0.065 0.000 0.238 540 R C 2.105 178.356 176.300 -0.081 0.000 1.136 540 R CA 1.549 57.569 56.100 -0.133 0.000 0.959 540 R CB -0.492 29.726 30.300 -0.137 0.000 0.856 540 R HN 0.431 nan 8.270 nan 0.000 0.437 541 E N 0.485 120.658 120.200 -0.044 0.000 2.085 541 E HA -0.178 4.211 4.350 0.065 0.000 0.194 541 E C 2.168 178.773 176.600 0.009 0.000 0.994 541 E CA 1.163 57.557 56.400 -0.010 0.000 0.801 541 E CB -0.026 29.692 29.700 0.029 0.000 0.743 541 E HN 0.280 nan 8.360 nan 0.000 0.453 542 R N 0.174 120.695 120.500 0.034 0.000 2.092 542 R HA -0.075 4.304 4.340 0.065 0.000 0.231 542 R C 2.410 178.737 176.300 0.046 0.000 1.119 542 R CA 0.900 57.034 56.100 0.057 0.000 0.970 542 R CB -0.184 30.172 30.300 0.092 0.000 0.864 542 R HN 0.046 nan 8.270 nan 0.000 0.440 543 V N 0.416 120.353 119.914 0.039 0.000 2.343 543 V HA -0.212 3.947 4.120 0.065 0.000 0.247 543 V C 2.275 178.356 176.094 -0.022 0.000 1.051 543 V CA 1.558 63.894 62.300 0.060 0.000 1.036 543 V CB -0.300 31.574 31.823 0.085 0.000 0.654 543 V HN 0.127 nan 8.190 nan 0.000 0.451 544 V N 0.543 120.415 119.914 -0.070 0.000 2.392 544 V HA -0.318 3.841 4.120 0.065 0.000 0.249 544 V C 2.288 178.338 176.094 -0.074 0.000 1.059 544 V CA 2.442 64.675 62.300 -0.113 0.000 1.051 544 V CB -0.718 31.043 31.823 -0.102 0.000 0.658 544 V HN 0.666 nan 8.190 nan 0.000 0.455 545 D N -0.539 119.853 120.400 -0.013 0.000 2.117 545 D HA -0.209 4.470 4.640 0.065 0.000 0.197 545 D C 2.261 178.634 176.300 0.122 0.000 0.987 545 D CA 1.460 55.484 54.000 0.039 0.000 0.829 545 D CB -0.053 40.790 40.800 0.072 0.000 0.961 545 D HN 0.502 nan 8.370 nan 0.000 0.460 546 Q N -0.397 119.456 119.800 0.088 0.000 2.050 546 Q HA -0.114 4.265 4.340 0.065 0.000 0.202 546 Q C 2.473 178.506 176.000 0.055 0.000 0.980 546 Q CA 0.995 56.868 55.803 0.116 0.000 0.840 546 Q CB -0.121 28.698 28.738 0.135 0.000 0.898 546 Q HN 0.395 nan 8.270 nan 0.000 0.424 547 L N 0.128 121.313 121.223 -0.062 0.000 2.079 547 L HA -0.217 4.162 4.340 0.065 0.000 0.210 547 L C 2.422 179.172 176.870 -0.200 0.000 1.081 547 L CA 0.933 55.654 54.840 -0.198 0.000 0.752 547 L CB -0.679 41.157 42.059 -0.371 0.000 0.896 547 L HN 0.242 nan 8.230 nan 0.000 0.433 548 A N -0.828 121.892 122.820 -0.166 0.000 2.125 548 A HA -0.224 4.135 4.320 0.065 0.000 0.219 548 A C 1.760 179.149 177.584 -0.325 0.000 1.156 548 A CA 1.465 53.366 52.037 -0.227 0.000 0.671 548 A CB -0.749 18.122 19.000 -0.215 0.000 0.794 548 A HN 0.477 nan 8.150 nan 0.000 0.459 549 H N -1.446 117.417 119.070 -0.345 0.000 2.551 549 H HA 0.277 4.872 4.556 0.066 0.000 0.266 549 H C 1.623 176.679 175.328 -0.454 0.000 0.964 549 H CA 0.940 56.645 56.048 -0.572 0.000 1.180 549 H CB 0.124 29.137 29.762 -1.248 0.000 1.408 549 H HN 0.499 nan 8.280 nan 0.000 0.563 550 I N -1.081 119.394 120.570 -0.158 0.000 2.681 550 I HA 0.059 4.268 4.170 0.065 0.000 0.247 550 I C -0.098 175.951 176.117 -0.113 0.000 1.091 550 I CA 0.546 61.822 61.300 -0.040 0.000 1.442 550 I CB 0.610 38.610 38.000 -0.000 0.000 1.219 550 I HN 0.094 nan 8.210 nan 0.000 0.451 551 D N -0.932 119.324 120.400 -0.240 0.000 2.931 551 D HA 0.226 4.905 4.640 0.065 0.000 0.215 551 D C 0.264 176.394 176.300 -0.284 0.000 1.297 551 D CA -0.397 53.439 54.000 -0.274 0.000 0.892 551 D CB 1.342 41.839 40.800 -0.505 0.000 1.642 551 D HN -0.202 nan 8.370 nan 0.000 0.560 552 L N 2.453 123.570 121.223 -0.176 0.000 2.093 552 L HA -0.015 4.364 4.340 0.065 0.000 0.208 552 L C 2.182 178.966 176.870 -0.144 0.000 1.085 552 L CA 1.602 56.349 54.840 -0.155 0.000 0.755 552 L CB -1.403 40.594 42.059 -0.105 0.000 0.904 552 L HN 0.618 nan 8.230 nan 0.000 0.435 553 T N 0.130 114.624 114.554 -0.099 0.000 2.708 553 T HA -0.196 4.193 4.350 0.065 0.000 0.266 553 T C 1.914 176.544 174.700 -0.116 0.000 1.037 553 T CA 1.453 63.537 62.100 -0.027 0.000 1.146 553 T CB -0.352 68.596 68.868 0.134 0.000 0.865 553 T HN 0.191 nan 8.240 nan 0.000 0.435 554 L N 1.730 122.714 121.223 -0.398 0.000 1.989 554 L HA -0.027 4.352 4.340 0.065 0.000 0.211 554 L C 2.607 179.239 176.870 -0.397 0.000 1.071 554 L CA 2.211 56.655 54.840 -0.661 0.000 0.749 554 L CB -1.199 40.038 42.059 -1.371 0.000 0.890 554 L HN 0.223 nan 8.230 nan 0.000 0.431 555 A N -1.152 121.452 122.820 -0.360 0.000 1.908 555 A HA -0.277 4.082 4.320 0.065 0.000 0.218 555 A C 2.235 179.711 177.584 -0.181 0.000 1.181 555 A CA 1.974 53.846 52.037 -0.273 0.000 0.627 555 A CB -0.687 18.174 19.000 -0.233 0.000 0.818 555 A HN 0.701 nan 8.150 nan 0.000 0.445 556 Q N -0.922 118.796 119.800 -0.137 0.000 2.124 556 Q HA -0.090 4.289 4.340 0.065 0.000 0.202 556 Q C 2.412 178.378 176.000 -0.057 0.000 0.977 556 Q CA 1.342 57.096 55.803 -0.081 0.000 0.850 556 Q CB -0.336 28.370 28.738 -0.053 0.000 0.901 556 Q HN 0.703 nan 8.270 nan 0.000 0.429 557 A N 0.062 122.853 122.820 -0.049 0.000 1.929 557 A HA -0.105 4.254 4.320 0.065 0.000 0.216 557 A C 2.279 179.859 177.584 -0.007 0.000 1.176 557 A CA 1.062 53.100 52.037 0.002 0.000 0.628 557 A CB -0.512 18.522 19.000 0.058 0.000 0.816 557 A HN 0.200 nan 8.150 nan 0.000 0.444 558 V N 0.069 119.948 119.914 -0.060 0.000 2.295 558 V HA -0.260 3.899 4.120 0.065 0.000 0.246 558 V C 3.073 179.129 176.094 -0.063 0.000 1.049 558 V CA 1.952 64.213 62.300 -0.065 0.000 1.024 558 V CB -1.395 30.331 31.823 -0.162 0.000 0.648 558 V HN 0.598 nan 8.190 nan 0.000 0.447 559 A N -0.184 122.587 122.820 -0.082 0.000 1.892 559 A HA -0.324 4.035 4.320 0.065 0.000 0.218 559 A C 2.356 179.918 177.584 -0.037 0.000 1.188 559 A CA 2.480 54.478 52.037 -0.065 0.000 0.631 559 A CB -0.576 18.382 19.000 -0.069 0.000 0.822 559 A HN 0.541 nan 8.150 nan 0.000 0.447 560 K N -0.525 119.861 120.400 -0.023 0.000 2.032 560 K HA -0.194 4.166 4.320 0.065 0.000 0.209 560 K C 1.584 178.186 176.600 0.004 0.000 1.048 560 K CA 1.615 57.899 56.287 -0.005 0.000 0.927 560 K CB -0.229 32.275 32.500 0.007 0.000 0.712 560 K HN 0.437 nan 8.250 nan 0.000 0.441 561 N N 0.691 119.397 118.700 0.010 0.000 2.364 561 N HA -0.126 4.653 4.740 0.065 0.000 0.183 561 N C 1.256 176.767 175.510 0.002 0.000 1.022 561 N CA 0.921 53.984 53.050 0.021 0.000 0.883 561 N CB 0.058 38.571 38.487 0.043 0.000 0.965 561 N HN 0.282 nan 8.380 nan 0.000 0.438 562 L N -1.015 120.197 121.223 -0.018 0.000 2.640 562 L HA 0.264 4.644 4.340 0.065 0.000 0.230 562 L C 0.983 177.838 176.870 -0.025 0.000 1.123 562 L CA -0.105 54.715 54.840 -0.033 0.000 0.900 562 L CB 0.051 42.074 42.059 -0.059 0.000 1.146 562 L HN 0.052 nan 8.230 nan 0.000 0.484 563 G N 1.569 110.360 108.800 -0.015 0.000 2.225 563 G HA2 -0.292 3.707 3.960 0.065 0.000 0.267 563 G HA3 -0.292 3.707 3.960 0.065 0.000 0.267 563 G C 0.076 174.967 174.900 -0.015 0.000 1.024 563 G CA 0.183 45.277 45.100 -0.010 0.000 0.784 563 G HN 0.328 nan 8.290 nan 0.000 0.507 564 I N -0.241 120.316 120.570 -0.023 0.000 2.437 564 I HA 0.484 4.693 4.170 0.065 0.000 0.298 564 I C 0.342 176.443 176.117 -0.026 0.000 0.984 564 I CA -0.762 60.523 61.300 -0.026 0.000 1.214 564 I CB 1.819 39.796 38.000 -0.038 0.000 1.365 564 I HN 0.228 nan 8.210 nan 0.000 0.469 565 E N 6.185 126.372 120.200 -0.023 0.000 2.158 565 E HA 0.425 4.814 4.350 0.065 0.000 0.271 565 E C -1.136 175.446 176.600 -0.030 0.000 0.911 565 E CA -0.679 55.707 56.400 -0.024 0.000 0.767 565 E CB 1.202 30.892 29.700 -0.016 0.000 1.120 565 E HN 0.466 nan 8.360 nan 0.000 0.405 566 L N 3.943 125.143 121.223 -0.039 0.000 2.456 566 L HA 0.136 4.515 4.340 0.065 0.000 0.272 566 L C 0.975 177.822 176.870 -0.038 0.000 1.189 566 L CA -0.152 54.660 54.840 -0.047 0.000 0.846 566 L CB 0.404 42.426 42.059 -0.061 0.000 1.111 566 L HN 0.731 nan 8.230 nan 0.000 0.475 567 T N -2.078 112.453 114.554 -0.037 0.000 2.788 567 T HA 0.052 4.441 4.350 0.065 0.000 0.287 567 T C 0.790 175.467 174.700 -0.038 0.000 1.007 567 T CA -0.783 61.298 62.100 -0.031 0.000 1.005 567 T CB 1.046 69.898 68.868 -0.026 0.000 1.012 567 T HN 0.497 nan 8.240 nan 0.000 0.530 568 D N 0.498 120.879 120.400 -0.031 0.000 2.104 568 D HA -0.096 4.583 4.640 0.065 0.000 0.194 568 D C 1.759 178.034 176.300 -0.042 0.000 0.994 568 D CA 1.277 55.257 54.000 -0.033 0.000 0.830 568 D CB -0.348 40.437 40.800 -0.024 0.000 0.959 568 D HN 0.602 nan 8.370 nan 0.000 0.452 569 D N 0.382 120.758 120.400 -0.039 0.000 2.123 569 D HA -0.138 4.541 4.640 0.065 0.000 0.196 569 D C 2.138 178.391 176.300 -0.078 0.000 0.992 569 D CA 0.833 54.805 54.000 -0.048 0.000 0.833 569 D CB -0.263 40.517 40.800 -0.033 0.000 0.954 569 D HN 0.365 nan 8.370 nan 0.000 0.455 570 Q N -0.147 119.603 119.800 -0.082 0.000 2.084 570 Q HA -0.054 4.325 4.340 0.065 0.000 0.202 570 Q C 2.459 178.380 176.000 -0.132 0.000 0.978 570 Q CA 0.647 56.376 55.803 -0.123 0.000 0.844 570 Q CB -0.097 28.582 28.738 -0.098 0.000 0.898 570 Q HN 0.308 nan 8.270 nan 0.000 0.426 571 L N 0.773 121.940 121.223 -0.094 0.000 2.265 571 L HA -0.147 4.232 4.340 0.065 0.000 0.215 571 L C 1.390 178.209 176.870 -0.084 0.000 1.117 571 L CA 0.510 55.300 54.840 -0.084 0.000 0.782 571 L CB -0.190 41.834 42.059 -0.059 0.000 0.914 571 L HN 0.216 nan 8.230 nan 0.000 0.441 572 N N -0.136 118.513 118.700 -0.085 0.000 2.336 572 N HA 0.194 4.973 4.740 0.065 0.000 0.189 572 N C 0.400 175.850 175.510 -0.100 0.000 1.113 572 N CA 0.138 53.142 53.050 -0.077 0.000 0.858 572 N CB 0.313 38.766 38.487 -0.056 0.000 0.970 572 N HN 0.242 nan 8.380 nan 0.000 0.471 573 I N 1.698 122.174 120.570 -0.156 0.000 2.598 573 I HA -0.052 4.157 4.170 0.065 0.000 0.284 573 I C 0.407 176.433 176.117 -0.153 0.000 1.140 573 I CA 0.312 61.486 61.300 -0.209 0.000 1.420 573 I CB 0.308 38.053 38.000 -0.425 0.000 1.387 573 I HN -0.166 nan 8.210 nan 0.000 0.553 574 T N 8.085 122.579 114.554 -0.100 0.000 2.834 574 T HA 0.162 4.551 4.350 0.065 0.000 0.298 574 T C -2.036 172.630 174.700 -0.055 0.000 0.966 574 T CA -0.847 61.219 62.100 -0.055 0.000 1.141 574 T CB 0.140 68.996 68.868 -0.019 0.000 0.905 574 T HN 0.383 nan 8.240 nan 0.000 0.535 575 P HA 0.185 nan 4.420 nan 0.000 0.267 575 P C -2.256 175.060 177.300 0.028 0.000 1.200 575 P CA -1.317 61.772 63.100 -0.019 0.000 0.772 575 P CB -0.472 31.228 31.700 -0.000 0.000 0.855 576 P HA 0.170 nan 4.420 nan 0.000 0.270 576 P C -2.495 174.863 177.300 0.095 0.000 1.223 576 P CA -1.106 62.066 63.100 0.120 0.000 0.785 576 P CB -0.986 30.833 31.700 0.197 0.000 0.923 577 P HA 0.117 nan 4.420 nan 0.000 0.272 577 P C -0.198 177.155 177.300 0.087 0.000 1.223 577 P CA 0.125 63.274 63.100 0.082 0.000 0.784 577 P CB 0.161 31.911 31.700 0.083 0.000 0.923 578 D N 0.001 120.444 120.400 0.072 0.000 2.390 578 D HA 0.008 4.687 4.640 0.065 0.000 0.236 578 D C -0.058 176.292 176.300 0.084 0.000 1.189 578 D CA 0.230 54.270 54.000 0.066 0.000 0.887 578 D CB 0.290 41.122 40.800 0.054 0.000 1.198 578 D HN -0.024 nan 8.370 nan 0.000 0.444 579 V N 2.883 122.838 119.914 0.067 0.000 2.356 579 V HA 0.036 4.196 4.120 0.065 0.000 0.258 579 V C 0.362 176.547 176.094 0.151 0.000 1.065 579 V CA -0.351 62.016 62.300 0.112 0.000 0.935 579 V CB -0.531 31.270 31.823 -0.036 0.000 1.061 579 V HN 0.610 nan 8.190 nan 0.000 0.484 580 N N 4.508 123.313 118.700 0.175 0.000 2.714 580 N HA -0.231 4.549 4.740 0.065 0.000 0.252 580 N C 1.157 176.726 175.510 0.098 0.000 1.014 580 N CA 1.004 54.140 53.050 0.144 0.000 0.735 580 N CB -0.889 37.721 38.487 0.205 0.000 0.924 580 N HN 1.250 nan 8.380 nan 0.000 0.540 581 G N -2.068 106.777 108.800 0.077 0.000 2.199 581 G HA2 -0.325 3.674 3.960 0.065 0.000 0.254 581 G HA3 -0.325 3.674 3.960 0.065 0.000 0.254 581 G C 0.121 175.050 174.900 0.049 0.000 0.982 581 G CA 0.338 45.471 45.100 0.055 0.000 0.632 581 G HN 0.390 nan 8.290 nan 0.000 0.529 582 L N 0.459 121.714 121.223 0.054 0.000 2.349 582 L HA 0.417 4.796 4.340 0.065 0.000 0.275 582 L C 1.571 178.455 176.870 0.024 0.000 1.115 582 L CA -0.549 54.313 54.840 0.037 0.000 0.820 582 L CB 1.025 43.106 42.059 0.036 0.000 1.135 582 L HN -0.055 nan 8.230 nan 0.000 0.445 583 K N 2.639 123.048 120.400 0.014 0.000 2.361 583 K HA 0.118 4.477 4.320 0.065 0.000 0.194 583 K C -0.200 176.392 176.600 -0.013 0.000 1.032 583 K CA 0.289 56.580 56.287 0.007 0.000 1.048 583 K CB 0.466 32.968 32.500 0.002 0.000 0.842 583 K HN 0.658 nan 8.250 nan 0.000 0.526 584 K N -0.324 120.064 120.400 -0.020 0.000 2.870 584 K HA 0.178 4.537 4.320 0.065 0.000 0.290 584 K C -2.236 174.345 176.600 -0.032 0.000 1.070 584 K CA -0.838 55.420 56.287 -0.048 0.000 0.843 584 K CB 1.040 33.492 32.500 -0.079 0.000 1.475 584 K HN -0.234 nan 8.250 nan 0.000 0.359 585 D N 1.800 122.175 120.400 -0.043 0.000 2.478 585 D HA 0.323 5.002 4.640 0.065 0.000 0.240 585 D C -2.251 174.030 176.300 -0.031 0.000 1.364 585 D CA -1.950 52.044 54.000 -0.011 0.000 0.987 585 D CB 2.244 43.059 40.800 0.025 0.000 1.328 585 D HN 0.286 nan 8.370 nan 0.000 0.584 586 P HA -0.052 nan 4.420 nan 0.000 0.230 586 P C 1.198 178.486 177.300 -0.019 0.000 1.158 586 P CA 0.641 63.709 63.100 -0.053 0.000 0.769 586 P CB 0.232 31.912 31.700 -0.033 0.000 0.807 587 S N -0.983 114.739 115.700 0.037 0.000 2.507 587 S HA -0.031 4.478 4.470 0.065 0.000 0.235 587 S C 1.606 176.284 174.600 0.130 0.000 0.988 587 S CA 0.688 58.947 58.200 0.098 0.000 0.944 587 S CB -1.303 61.986 63.200 0.149 0.000 0.762 587 S HN 0.156 nan 8.310 nan 0.000 0.526 588 L N 1.375 122.636 121.223 0.063 0.000 2.554 588 L HA 0.210 4.589 4.340 0.065 0.000 0.226 588 L C 1.376 178.127 176.870 -0.198 0.000 1.137 588 L CA 0.072 54.935 54.840 0.038 0.000 0.863 588 L CB -0.261 41.806 42.059 0.014 0.000 0.985 588 L HN 0.325 nan 8.230 nan 0.000 0.451 589 S N -0.440 115.135 115.700 -0.207 0.000 2.585 589 S HA 0.326 4.835 4.470 0.065 0.000 0.277 589 S C 1.027 175.492 174.600 -0.226 0.000 1.241 589 S CA -0.659 57.355 58.200 -0.310 0.000 1.041 589 S CB 1.483 64.502 63.200 -0.302 0.000 0.987 589 S HN 0.167 nan 8.310 nan 0.000 0.512 590 L N 2.996 123.996 121.223 -0.372 0.000 2.156 590 L HA 0.027 4.406 4.340 0.065 0.000 0.208 590 L C 0.879 177.443 176.870 -0.509 0.000 1.095 590 L CA 1.072 55.600 54.840 -0.521 0.000 0.770 590 L CB -0.264 41.195 42.059 -1.000 0.000 0.914 590 L HN 0.762 nan 8.230 nan 0.000 0.439 591 Y N -2.241 118.050 120.300 -0.014 0.000 2.430 591 Y HA 0.321 4.910 4.550 0.066 0.000 0.254 591 Y C 2.207 178.131 175.900 0.039 0.000 1.088 591 Y CA -0.170 57.973 58.100 0.071 0.000 1.267 591 Y CB -0.506 38.030 38.460 0.126 0.000 1.204 591 Y HN -0.045 nan 8.280 nan 0.000 0.515 592 A N 0.632 123.482 122.820 0.050 0.000 1.908 592 A HA -0.093 4.266 4.320 0.065 0.000 0.218 592 A C 0.938 178.558 177.584 0.060 0.000 1.181 592 A CA 1.222 53.264 52.037 0.009 0.000 0.627 592 A CB -0.581 18.367 19.000 -0.087 0.000 0.818 592 A HN 0.161 nan 8.150 nan 0.000 0.445 593 I N 0.578 121.190 120.570 0.069 0.000 2.328 593 I HA 0.275 4.484 4.170 0.065 0.000 0.287 593 I C -2.605 173.583 176.117 0.119 0.000 1.012 593 I CA -2.603 58.745 61.300 0.081 0.000 1.195 593 I CB 0.530 38.567 38.000 0.062 0.000 1.350 593 I HN -0.022 nan 8.210 nan 0.000 0.464 594 P HA 0.009 nan 4.420 nan 0.000 0.261 594 P C -0.103 177.271 177.300 0.125 0.000 1.173 594 P CA 0.492 63.681 63.100 0.149 0.000 0.760 594 P CB 0.436 32.206 31.700 0.117 0.000 0.783 595 D N 1.246 121.730 120.400 0.140 0.000 2.881 595 D HA 0.102 4.782 4.640 0.065 0.000 0.325 595 D C 0.362 176.726 176.300 0.106 0.000 1.621 595 D CA -0.453 53.613 54.000 0.109 0.000 0.785 595 D CB -0.500 40.362 40.800 0.103 0.000 1.233 595 D HN 0.316 nan 8.370 nan 0.000 0.447 596 G N 0.187 109.056 108.800 0.115 0.000 2.432 596 G HA2 0.348 4.347 3.960 0.065 0.000 0.239 596 G HA3 0.348 4.347 3.960 0.065 0.000 0.239 596 G C -0.618 174.320 174.900 0.064 0.000 1.291 596 G CA -0.016 45.144 45.100 0.101 0.000 0.863 596 G HN 0.187 nan 8.290 nan 0.000 0.560 597 D N 1.110 121.541 120.400 0.050 0.000 2.575 597 D HA 0.166 4.845 4.640 0.065 0.000 0.250 597 D C 1.088 177.401 176.300 0.022 0.000 1.279 597 D CA -0.602 53.414 54.000 0.027 0.000 0.925 597 D CB 1.727 42.536 40.800 0.016 0.000 1.261 597 D HN 0.262 nan 8.370 nan 0.000 0.567 598 V N 2.022 121.943 119.914 0.011 0.000 3.217 598 V HA 0.163 4.322 4.120 0.065 0.000 0.264 598 V C 1.053 177.132 176.094 -0.025 0.000 1.135 598 V CA 0.325 62.627 62.300 0.003 0.000 1.142 598 V CB -0.696 31.123 31.823 -0.006 0.000 0.754 598 V HN 0.393 nan 8.190 nan 0.000 0.484 599 K N 1.148 121.526 120.400 -0.037 0.000 2.451 599 K HA 0.383 4.742 4.320 0.065 0.000 0.280 599 K C 1.229 177.790 176.600 -0.065 0.000 1.020 599 K CA 0.992 57.234 56.287 -0.074 0.000 1.008 599 K CB 0.185 32.647 32.500 -0.063 0.000 0.917 599 K HN 0.690 nan 8.250 nan 0.000 0.478 600 G N 3.193 111.924 108.800 -0.116 0.000 2.217 600 G HA2 -0.209 3.790 3.960 0.065 0.000 0.246 600 G HA3 -0.209 3.790 3.960 0.065 0.000 0.246 600 G C 0.103 175.052 174.900 0.082 0.000 0.990 600 G CA -0.250 44.856 45.100 0.010 0.000 0.627 600 G HN 0.570 nan 8.290 nan 0.000 0.522 601 R N -0.141 120.375 120.500 0.027 0.000 2.738 601 R HA 0.675 5.054 4.340 0.065 0.000 0.275 601 R C 0.010 176.371 176.300 0.102 0.000 1.121 601 R CA -0.083 56.062 56.100 0.076 0.000 1.207 601 R CB 0.884 31.220 30.300 0.059 0.000 1.141 601 R HN 0.649 nan 8.270 nan 0.000 0.571 602 V N 0.591 120.582 119.914 0.128 0.000 2.760 602 V HA 0.387 4.546 4.120 0.065 0.000 0.309 602 V C -1.017 175.146 176.094 0.114 0.000 1.077 602 V CA -0.756 61.634 62.300 0.150 0.000 0.910 602 V CB 2.393 34.329 31.823 0.188 0.000 1.008 602 V HN 0.356 nan 8.190 nan 0.000 0.424 603 V N 5.997 125.972 119.914 0.102 0.000 2.483 603 V HA 0.789 4.948 4.120 0.065 0.000 0.295 603 V C 0.573 176.726 176.094 0.098 0.000 1.035 603 V CA -0.109 62.242 62.300 0.085 0.000 0.896 603 V CB 1.698 33.556 31.823 0.059 0.000 0.986 603 V HN 1.152 nan 8.190 nan 0.000 0.447 604 A N 6.079 128.964 122.820 0.109 0.000 2.331 604 A HA 0.765 5.124 4.320 0.065 0.000 0.283 604 A C -0.452 177.147 177.584 0.026 0.000 1.142 604 A CA -0.277 51.811 52.037 0.085 0.000 0.812 604 A CB 0.136 19.213 19.000 0.128 0.000 1.074 604 A HN 0.763 nan 8.150 nan 0.000 0.497 605 I N 3.288 123.867 120.570 0.016 0.000 2.382 605 I HA 0.200 4.409 4.170 0.065 0.000 0.286 605 I C -0.632 175.492 176.117 0.011 0.000 1.002 605 I CA -0.226 61.083 61.300 0.015 0.000 1.135 605 I CB 1.418 39.440 38.000 0.036 0.000 1.288 605 I HN 0.491 nan 8.210 nan 0.000 0.448 606 L N 7.278 128.491 121.223 -0.017 0.000 2.295 606 L HA 0.373 4.752 4.340 0.065 0.000 0.288 606 L C 0.086 177.053 176.870 0.162 0.000 1.079 606 L CA -0.377 54.504 54.840 0.069 0.000 0.830 606 L CB 0.109 42.068 42.059 -0.167 0.000 1.200 606 L HN 0.434 nan 8.230 nan 0.000 0.438 607 L N 3.541 124.905 121.223 0.236 0.000 2.464 607 L HA 0.187 4.566 4.340 0.065 0.000 0.264 607 L C 0.287 177.348 176.870 0.318 0.000 1.199 607 L CA -0.261 54.682 54.840 0.172 0.000 0.818 607 L CB 0.528 42.593 42.059 0.010 0.000 1.102 607 L HN 0.697 nan 8.230 nan 0.000 0.473 608 N N -1.585 117.209 118.700 0.156 0.000 2.545 608 N HA 0.227 5.006 4.740 0.065 0.000 0.289 608 N C -0.160 175.322 175.510 -0.047 0.000 1.279 608 N CA -0.777 52.400 53.050 0.212 0.000 0.824 608 N CB 0.695 39.291 38.487 0.182 0.000 1.395 608 N HN 0.556 nan 8.380 nan 0.000 0.526 609 D N -1.969 118.438 120.400 0.012 0.000 2.363 609 D HA -0.063 4.617 4.640 0.065 0.000 0.226 609 D C -0.334 175.924 176.300 -0.071 0.000 1.020 609 D CA 0.714 54.649 54.000 -0.108 0.000 0.892 609 D CB -0.096 40.715 40.800 0.018 0.000 0.900 609 D HN 0.740 nan 8.370 nan 0.000 0.531 610 E N 0.345 120.524 120.200 -0.035 0.000 3.626 610 E HA 0.243 4.632 4.350 0.065 0.000 0.245 610 E C -1.269 175.315 176.600 -0.025 0.000 1.236 610 E CA -0.442 55.939 56.400 -0.032 0.000 1.072 610 E CB 0.747 30.438 29.700 -0.015 0.000 1.309 610 E HN -0.126 nan 8.360 nan 0.000 0.400 611 V N 2.427 122.317 119.914 -0.039 0.000 2.673 611 V HA 0.016 4.175 4.120 0.065 0.000 0.303 611 V C 0.914 176.992 176.094 -0.027 0.000 1.046 611 V CA 0.309 62.593 62.300 -0.027 0.000 1.126 611 V CB 0.764 32.566 31.823 -0.035 0.000 0.934 611 V HN 0.530 nan 8.190 nan 0.000 0.487 612 R N 3.406 123.891 120.500 -0.025 0.000 2.402 612 R HA 0.028 4.407 4.340 0.065 0.000 0.331 612 R C 1.592 177.871 176.300 -0.036 0.000 1.040 612 R CA 0.509 56.589 56.100 -0.033 0.000 0.980 612 R CB 0.339 30.614 30.300 -0.041 0.000 0.967 612 R HN 1.012 nan 8.270 nan 0.000 0.440 613 S N 3.375 119.055 115.700 -0.033 0.000 2.399 613 S HA -0.189 4.320 4.470 0.065 0.000 0.231 613 S C 1.986 176.567 174.600 -0.032 0.000 1.022 613 S CA 0.839 59.020 58.200 -0.030 0.000 0.983 613 S CB -0.052 63.132 63.200 -0.026 0.000 0.803 613 S HN 0.682 nan 8.310 nan 0.000 0.480 614 A N 2.466 125.264 122.820 -0.037 0.000 1.883 614 A HA -0.157 4.202 4.320 0.065 0.000 0.217 614 A C 2.011 179.561 177.584 -0.056 0.000 1.186 614 A CA 1.862 53.874 52.037 -0.041 0.000 0.624 614 A CB -1.075 17.898 19.000 -0.044 0.000 0.822 614 A HN 0.496 nan 8.150 nan 0.000 0.444 615 D N -0.555 119.801 120.400 -0.073 0.000 2.092 615 D HA -0.142 4.537 4.640 0.065 0.000 0.193 615 D C 1.850 178.113 176.300 -0.063 0.000 0.994 615 D CA 1.426 55.364 54.000 -0.103 0.000 0.828 615 D CB -0.471 40.255 40.800 -0.123 0.000 0.963 615 D HN 0.312 nan 8.370 nan 0.000 0.450 616 L N 0.281 121.481 121.223 -0.039 0.000 2.083 616 L HA -0.111 4.268 4.340 0.065 0.000 0.209 616 L C 2.117 178.981 176.870 -0.009 0.000 1.083 616 L CA 1.114 55.944 54.840 -0.016 0.000 0.752 616 L CB -0.523 41.528 42.059 -0.015 0.000 0.899 616 L HN -0.015 nan 8.230 nan 0.000 0.433 617 L N -0.351 120.862 121.223 -0.016 0.000 2.012 617 L HA -0.185 4.194 4.340 0.065 0.000 0.210 617 L C 2.570 179.437 176.870 -0.004 0.000 1.073 617 L CA 2.159 56.993 54.840 -0.010 0.000 0.748 617 L CB -1.109 40.942 42.059 -0.014 0.000 0.891 617 L HN 0.342 nan 8.230 nan 0.000 0.431 618 A N -1.174 121.640 122.820 -0.011 0.000 1.968 618 A HA -0.110 4.249 4.320 0.065 0.000 0.217 618 A C 2.267 179.867 177.584 0.026 0.000 1.169 618 A CA 1.500 53.538 52.037 0.001 0.000 0.638 618 A CB -0.636 18.353 19.000 -0.018 0.000 0.812 618 A HN 0.418 nan 8.150 nan 0.000 0.446 619 I N -0.384 120.203 120.570 0.028 0.000 2.163 619 I HA -0.219 3.990 4.170 0.065 0.000 0.240 619 I C 2.286 178.432 176.117 0.048 0.000 1.081 619 I CA 1.092 62.431 61.300 0.065 0.000 1.353 619 I CB -0.235 37.807 38.000 0.069 0.000 1.054 619 I HN 0.263 nan 8.210 nan 0.000 0.407 620 L N 0.361 121.603 121.223 0.031 0.000 2.156 620 L HA -0.183 4.196 4.340 0.065 0.000 0.208 620 L C 2.549 179.431 176.870 0.020 0.000 1.095 620 L CA 1.096 55.953 54.840 0.027 0.000 0.770 620 L CB -0.565 41.507 42.059 0.022 0.000 0.914 620 L HN 0.213 nan 8.230 nan 0.000 0.439 621 K N 0.748 121.159 120.400 0.017 0.000 2.009 621 K HA -0.215 4.145 4.320 0.065 0.000 0.210 621 K C 2.174 178.782 176.600 0.014 0.000 1.049 621 K CA 1.627 57.922 56.287 0.013 0.000 0.929 621 K CB -0.132 32.374 32.500 0.011 0.000 0.714 621 K HN 0.249 nan 8.250 nan 0.000 0.440 622 A N 1.120 123.954 122.820 0.023 0.000 1.902 622 A HA -0.110 4.249 4.320 0.065 0.000 0.217 622 A C 2.144 179.734 177.584 0.009 0.000 1.181 622 A CA 1.317 53.368 52.037 0.022 0.000 0.623 622 A CB -0.632 18.393 19.000 0.042 0.000 0.818 622 A HN 0.333 nan 8.150 nan 0.000 0.443 623 L N -0.508 120.722 121.223 0.011 0.000 2.046 623 L HA -0.217 4.162 4.340 0.065 0.000 0.208 623 L C 2.703 179.554 176.870 -0.032 0.000 1.077 623 L CA 2.025 56.859 54.840 -0.009 0.000 0.747 623 L CB -0.487 41.575 42.059 0.006 0.000 0.896 623 L HN 0.496 nan 8.230 nan 0.000 0.432 624 K N 0.610 121.000 120.400 -0.017 0.000 2.097 624 K HA -0.172 4.187 4.320 0.065 0.000 0.205 624 K C 2.076 178.658 176.600 -0.030 0.000 1.050 624 K CA 1.315 57.588 56.287 -0.023 0.000 0.938 624 K CB -0.044 32.455 32.500 -0.002 0.000 0.718 624 K HN 0.254 nan 8.250 nan 0.000 0.442 625 A N 1.282 124.091 122.820 -0.018 0.000 2.019 625 A HA -0.106 4.254 4.320 0.065 0.000 0.219 625 A C 1.584 179.152 177.584 -0.026 0.000 1.164 625 A CA 1.325 53.352 52.037 -0.016 0.000 0.644 625 A CB -0.085 18.911 19.000 -0.006 0.000 0.805 625 A HN 0.190 nan 8.150 nan 0.000 0.449 626 K N -1.588 118.790 120.400 -0.036 0.000 2.358 626 K HA 0.229 4.588 4.320 0.065 0.000 0.200 626 K C 0.890 177.442 176.600 -0.079 0.000 1.030 626 K CA 0.625 56.885 56.287 -0.045 0.000 1.097 626 K CB 0.234 32.713 32.500 -0.034 0.000 0.862 626 K HN 0.725 nan 8.250 nan 0.000 0.534 627 G N 1.607 110.340 108.800 -0.111 0.000 2.160 627 G HA2 -0.225 3.774 3.960 0.065 0.000 0.244 627 G HA3 -0.225 3.774 3.960 0.065 0.000 0.244 627 G C 0.020 174.717 174.900 -0.339 0.000 1.022 627 G CA 0.148 45.134 45.100 -0.190 0.000 0.741 627 G HN 0.097 nan 8.290 nan 0.000 0.508 628 V N 2.407 122.166 119.914 -0.258 0.000 2.465 628 V HA 0.467 4.626 4.120 0.065 0.000 0.279 628 V C 0.761 176.693 176.094 -0.270 0.000 1.045 628 V CA -1.093 61.054 62.300 -0.254 0.000 0.938 628 V CB 1.201 32.968 31.823 -0.093 0.000 0.986 628 V HN 0.358 nan 8.190 nan 0.000 0.467 629 H N 2.407 121.489 119.070 0.021 0.000 2.508 629 H HA 0.764 5.359 4.556 0.065 0.000 0.358 629 H C 0.125 175.474 175.328 0.035 0.000 1.212 629 H CA -0.188 55.875 56.048 0.025 0.000 1.356 629 H CB 1.820 31.599 29.762 0.027 0.000 1.525 629 H HN 0.766 nan 8.280 nan 0.000 0.578 630 A N 1.353 124.279 122.820 0.177 0.000 2.401 630 A HA 0.535 4.894 4.320 0.065 0.000 0.310 630 A C -0.650 176.993 177.584 0.099 0.000 1.075 630 A CA -0.922 51.183 52.037 0.113 0.000 0.746 630 A CB 1.304 20.351 19.000 0.078 0.000 1.277 630 A HN 0.738 nan 8.150 nan 0.000 0.425 631 K N 2.307 122.760 120.400 0.088 0.000 2.376 631 K HA 0.701 5.060 4.320 0.065 0.000 0.257 631 K C -1.562 175.071 176.600 0.055 0.000 0.939 631 K CA -0.527 55.803 56.287 0.072 0.000 0.809 631 K CB 1.536 34.088 32.500 0.087 0.000 1.121 631 K HN 0.509 nan 8.250 nan 0.000 0.425 632 L N 5.017 126.263 121.223 0.038 0.000 2.260 632 L HA 0.407 4.786 4.340 0.065 0.000 0.289 632 L C -0.494 176.389 176.870 0.021 0.000 1.057 632 L CA -0.819 54.038 54.840 0.027 0.000 0.811 632 L CB 0.441 42.507 42.059 0.010 0.000 1.184 632 L HN 0.522 nan 8.230 nan 0.000 0.429 633 L N 3.602 124.844 121.223 0.032 0.000 2.342 633 L HA 0.599 4.978 4.340 0.065 0.000 0.271 633 L C -0.900 175.927 176.870 -0.072 0.000 1.008 633 L CA -0.763 54.066 54.840 -0.019 0.000 0.818 633 L CB 2.096 44.174 42.059 0.032 0.000 1.296 633 L HN 0.411 nan 8.230 nan 0.000 0.427 634 Y N -0.346 119.573 120.300 -0.635 0.000 2.896 634 Y HA 0.214 4.803 4.550 0.065 0.000 0.317 634 Y C 0.792 175.900 175.900 -1.321 0.000 1.444 634 Y CA -0.763 56.852 58.100 -0.809 0.000 1.084 634 Y CB 1.641 39.921 38.460 -0.299 0.000 1.382 634 Y HN 0.549 nan 8.280 nan 0.000 0.471 635 S N 0.571 115.344 115.700 -1.545 0.000 2.558 635 S HA 0.258 4.767 4.470 0.065 0.000 0.217 635 S C 0.090 174.391 174.600 -0.500 0.000 0.975 635 S CA 0.228 57.881 58.200 -0.912 0.000 0.912 635 S CB -0.134 62.688 63.200 -0.631 0.000 0.776 635 S HN 0.613 nan 8.310 nan 0.000 0.526 636 R N -1.079 119.202 120.500 -0.364 0.000 2.795 636 R HA 0.652 5.031 4.340 0.065 0.000 0.268 636 R C -0.834 175.453 176.300 -0.021 0.000 1.041 636 R CA -1.125 54.904 56.100 -0.119 0.000 0.927 636 R CB 0.536 30.816 30.300 -0.033 0.000 1.235 636 R HN -0.064 nan 8.270 nan 0.000 0.463 637 M N -0.078 119.517 119.600 -0.008 0.000 2.363 637 M HA 0.546 5.065 4.480 0.065 0.000 0.280 637 M C 0.876 177.191 176.300 0.025 0.000 1.182 637 M CA 0.650 55.953 55.300 0.005 0.000 0.974 637 M CB 0.694 33.290 32.600 -0.007 0.000 1.452 637 M HN 1.061 nan 8.290 nan 0.000 0.507 638 G N 0.950 109.756 108.800 0.011 0.000 2.715 638 G HA2 -0.115 3.884 3.960 0.065 0.000 0.221 638 G HA3 -0.115 3.884 3.960 0.065 0.000 0.221 638 G C -0.957 173.936 174.900 -0.010 0.000 1.204 638 G CA -0.539 44.564 45.100 0.004 0.000 1.063 638 G HN 0.620 nan 8.290 nan 0.000 0.586 639 E N -0.979 119.207 120.200 -0.023 0.000 2.369 639 E HA 0.629 5.018 4.350 0.065 0.000 0.270 639 E C -0.389 176.148 176.600 -0.105 0.000 0.909 639 E CA -0.498 55.869 56.400 -0.056 0.000 0.775 639 E CB 2.986 32.661 29.700 -0.042 0.000 1.270 639 E HN 1.227 nan 8.360 nan 0.000 0.445 640 V N -1.825 117.992 119.914 -0.162 0.000 3.001 640 V HA 0.739 4.898 4.120 0.065 0.000 0.314 640 V C -0.524 175.488 176.094 -0.137 0.000 1.099 640 V CA -0.675 61.497 62.300 -0.214 0.000 0.989 640 V CB 1.984 33.548 31.823 -0.431 0.000 1.040 640 V HN 0.624 nan 8.190 nan 0.000 0.434 641 T N 2.340 116.827 114.554 -0.112 0.000 2.797 641 T HA 0.794 5.183 4.350 0.065 0.000 0.279 641 T C 0.309 174.966 174.700 -0.072 0.000 0.991 641 T CA 0.264 62.319 62.100 -0.074 0.000 0.979 641 T CB 1.409 70.246 68.868 -0.052 0.000 0.943 641 T HN 1.351 nan 8.240 nan 0.000 0.444 642 A N 2.184 124.968 122.820 -0.060 0.000 2.267 642 A HA 0.368 4.727 4.320 0.065 0.000 0.271 642 A C 1.545 179.106 177.584 -0.038 0.000 1.131 642 A CA -0.302 51.705 52.037 -0.050 0.000 0.818 642 A CB 0.020 18.995 19.000 -0.042 0.000 1.118 642 A HN 0.899 nan 8.150 nan 0.000 0.501 643 D N -0.472 119.909 120.400 -0.032 0.000 2.263 643 D HA -0.166 4.513 4.640 0.065 0.000 0.208 643 D C 0.453 176.739 176.300 -0.023 0.000 0.971 643 D CA 1.469 55.453 54.000 -0.025 0.000 0.867 643 D CB -0.213 40.573 40.800 -0.023 0.000 0.929 643 D HN 0.568 nan 8.370 nan 0.000 0.492 644 D N -1.680 118.706 120.400 -0.023 0.000 2.424 644 D HA 0.229 4.908 4.640 0.065 0.000 0.220 644 D C 1.564 177.852 176.300 -0.020 0.000 1.150 644 D CA 0.177 54.165 54.000 -0.020 0.000 0.831 644 D CB -0.025 40.764 40.800 -0.019 0.000 0.981 644 D HN 0.300 nan 8.370 nan 0.000 0.500 645 G N 0.071 108.857 108.800 -0.023 0.000 2.199 645 G HA2 -0.275 3.724 3.960 0.065 0.000 0.254 645 G HA3 -0.275 3.724 3.960 0.065 0.000 0.254 645 G C 0.441 175.327 174.900 -0.024 0.000 0.982 645 G CA 0.275 45.361 45.100 -0.022 0.000 0.632 645 G HN 0.426 nan 8.290 nan 0.000 0.529 646 T N 1.645 116.184 114.554 -0.026 0.000 2.829 646 T HA 0.406 4.795 4.350 0.065 0.000 0.293 646 T C 0.723 175.403 174.700 -0.033 0.000 0.970 646 T CA 0.137 62.222 62.100 -0.026 0.000 1.168 646 T CB 1.846 70.700 68.868 -0.024 0.000 0.911 646 T HN 0.451 nan 8.240 nan 0.000 0.535 647 V N 6.142 126.038 119.914 -0.030 0.000 2.488 647 V HA 0.255 4.414 4.120 0.065 0.000 0.277 647 V C 0.305 176.375 176.094 -0.039 0.000 1.046 647 V CA -0.424 61.853 62.300 -0.037 0.000 0.986 647 V CB 0.550 32.356 31.823 -0.029 0.000 0.989 647 V HN 0.688 nan 8.190 nan 0.000 0.475 648 L N 8.269 129.458 121.223 -0.056 0.000 2.295 648 L HA 0.443 4.822 4.340 0.065 0.000 0.281 648 L C -2.314 174.523 176.870 -0.055 0.000 1.018 648 L CA -1.784 53.023 54.840 -0.054 0.000 0.841 648 L CB 1.842 43.857 42.059 -0.073 0.000 1.218 648 L HN 0.442 nan 8.230 nan 0.000 0.424 649 P HA 0.204 nan 4.420 nan 0.000 0.275 649 P C -0.506 176.779 177.300 -0.024 0.000 1.227 649 P CA -0.063 63.022 63.100 -0.026 0.000 0.781 649 P CB 1.007 32.700 31.700 -0.013 0.000 0.906 650 I N 1.957 122.515 120.570 -0.021 0.000 2.315 650 I HA 0.219 4.429 4.170 0.065 0.000 0.291 650 I C 1.541 177.655 176.117 -0.005 0.000 1.006 650 I CA -0.374 60.918 61.300 -0.014 0.000 1.265 650 I CB 1.378 39.377 38.000 -0.002 0.000 1.387 650 I HN 0.366 nan 8.210 nan 0.000 0.475 651 A N 5.372 128.193 122.820 0.002 0.000 1.929 651 A HA 0.460 4.819 4.320 0.065 0.000 0.216 651 A C 1.013 178.602 177.584 0.009 0.000 1.176 651 A CA 1.418 53.461 52.037 0.011 0.000 0.628 651 A CB -0.039 18.975 19.000 0.025 0.000 0.816 651 A HN 0.830 nan 8.150 nan 0.000 0.444 652 A N -2.385 120.434 122.820 -0.003 0.000 2.567 652 A HA 0.549 4.908 4.320 0.065 0.000 0.291 652 A C -0.058 177.488 177.584 -0.063 0.000 1.048 652 A CA 0.043 52.075 52.037 -0.008 0.000 0.661 652 A CB -0.343 18.677 19.000 0.034 0.000 1.288 652 A HN 0.832 nan 8.150 nan 0.000 0.424 653 T N -1.380 113.127 114.554 -0.078 0.000 2.816 653 T HA 0.553 4.942 4.350 0.065 0.000 0.282 653 T C 1.056 175.712 174.700 -0.073 0.000 0.993 653 T CA 0.163 62.143 62.100 -0.200 0.000 0.994 653 T CB 0.025 68.804 68.868 -0.148 0.000 1.025 653 T HN 0.534 nan 8.240 nan 0.000 0.529 654 F N 0.609 120.580 119.950 0.035 0.000 2.115 654 F HA -0.105 4.461 4.527 0.065 0.000 0.300 654 F C 2.941 178.876 175.800 0.225 0.000 1.092 654 F CA 1.168 59.242 58.000 0.124 0.000 1.245 654 F CB -0.692 38.357 39.000 0.081 0.000 0.995 654 F HN 0.707 nan 8.300 nan 0.000 0.481 655 A N 0.181 123.165 122.820 0.273 0.000 1.970 655 A HA 0.083 4.442 4.320 0.065 0.000 0.216 655 A C 2.415 180.068 177.584 0.115 0.000 1.170 655 A CA 1.296 53.433 52.037 0.167 0.000 0.645 655 A CB -1.336 17.720 19.000 0.094 0.000 0.816 655 A HN 0.388 nan 8.150 nan 0.000 0.447 656 G N -0.789 108.068 108.800 0.095 0.000 2.421 656 G HA2 0.283 4.282 3.960 0.065 0.000 0.217 656 G HA3 0.283 4.282 3.960 0.065 0.000 0.217 656 G C 0.652 175.605 174.900 0.087 0.000 1.143 656 G CA 0.960 46.098 45.100 0.064 0.000 0.784 656 G HN 1.048 nan 8.290 nan 0.000 0.541 657 A N 0.948 123.858 122.820 0.150 0.000 3.030 657 A HA 0.699 5.058 4.320 0.065 0.000 0.335 657 A C -2.657 175.082 177.584 0.259 0.000 1.089 657 A CA -1.172 50.968 52.037 0.171 0.000 0.807 657 A CB 1.367 20.469 19.000 0.170 0.000 1.099 657 A HN 0.104 nan 8.150 nan 0.000 0.474 658 P HA 0.092 nan 4.420 nan 0.000 0.273 658 P C 1.337 178.443 177.300 -0.324 0.000 1.250 658 P CA 0.139 63.169 63.100 -0.116 0.000 0.793 658 P CB 0.770 32.399 31.700 -0.119 0.000 1.011 659 S N 0.309 115.448 115.700 -0.935 0.000 2.442 659 S HA -0.143 4.366 4.470 0.065 0.000 0.236 659 S C 1.843 176.290 174.600 -0.255 0.000 1.007 659 S CA 0.981 58.789 58.200 -0.653 0.000 0.965 659 S CB -1.396 61.335 63.200 -0.781 0.000 0.773 659 S HN 0.337 nan 8.310 nan 0.000 0.504 660 L N 1.821 122.900 121.223 -0.240 0.000 2.089 660 L HA -0.128 4.251 4.340 0.065 0.000 0.213 660 L C 2.945 179.635 176.870 -0.301 0.000 1.079 660 L CA 1.772 56.472 54.840 -0.234 0.000 0.758 660 L CB -1.606 40.289 42.059 -0.272 0.000 0.891 660 L HN 0.646 nan 8.230 nan 0.000 0.433 661 T N -3.129 111.309 114.554 -0.193 0.000 3.129 661 T HA 0.241 4.630 4.350 0.065 0.000 0.251 661 T C 0.345 175.125 174.700 0.133 0.000 1.117 661 T CA 0.157 62.214 62.100 -0.072 0.000 1.034 661 T CB -0.431 68.502 68.868 0.107 0.000 0.968 661 T HN 0.182 nan 8.240 nan 0.000 0.526 662 V N -2.884 117.073 119.914 0.071 0.000 3.155 662 V HA 0.588 4.747 4.120 0.065 0.000 0.313 662 V C -0.168 175.972 176.094 0.077 0.000 1.162 662 V CA -0.964 61.410 62.300 0.124 0.000 1.048 662 V CB 2.058 33.973 31.823 0.153 0.000 1.092 662 V HN -0.015 nan 8.190 nan 0.000 0.447 663 D N 0.714 121.161 120.400 0.079 0.000 2.366 663 D HA 0.522 5.201 4.640 0.065 0.000 0.205 663 D C 0.539 176.827 176.300 -0.021 0.000 1.022 663 D CA 1.473 55.494 54.000 0.036 0.000 0.868 663 D CB 1.531 42.374 40.800 0.072 0.000 0.953 663 D HN 1.008 nan 8.370 nan 0.000 0.514 664 A N 0.078 122.902 122.820 0.006 0.000 2.586 664 A HA 0.521 4.880 4.320 0.065 0.000 0.291 664 A C -1.627 175.975 177.584 0.029 0.000 1.062 664 A CA -0.560 51.466 52.037 -0.018 0.000 0.666 664 A CB 1.370 20.346 19.000 -0.039 0.000 1.281 664 A HN -0.112 nan 8.150 nan 0.000 0.421 665 V N 1.188 121.113 119.914 0.017 0.000 2.588 665 V HA 0.603 4.762 4.120 0.065 0.000 0.304 665 V C -0.632 175.466 176.094 0.007 0.000 1.042 665 V CA -0.247 62.076 62.300 0.037 0.000 0.877 665 V CB 1.581 33.442 31.823 0.063 0.000 0.996 665 V HN 0.710 nan 8.190 nan 0.000 0.425 666 I N 3.972 124.553 120.570 0.019 0.000 2.509 666 I HA 0.589 4.798 4.170 0.065 0.000 0.293 666 I C -0.924 175.216 176.117 0.039 0.000 1.020 666 I CA -0.962 60.376 61.300 0.063 0.000 1.088 666 I CB 2.364 40.434 38.000 0.115 0.000 1.267 666 I HN 0.279 nan 8.210 nan 0.000 0.430 667 V N 7.237 127.192 119.914 0.069 0.000 2.349 667 V HA 0.362 4.521 4.120 0.065 0.000 0.284 667 V C -2.158 173.989 176.094 0.089 0.000 1.014 667 V CA -1.514 60.812 62.300 0.043 0.000 0.826 667 V CB 1.410 33.229 31.823 -0.007 0.000 1.009 667 V HN 0.563 nan 8.190 nan 0.000 0.431 668 P HA 0.405 nan 4.420 nan 0.000 0.276 668 P C -0.205 177.109 177.300 0.022 0.000 1.261 668 P CA -0.174 62.935 63.100 0.015 0.000 0.800 668 P CB 1.339 33.039 31.700 0.001 0.000 1.066 669 A N 0.235 123.043 122.820 -0.020 0.000 2.292 669 A HA 0.677 5.036 4.320 0.065 0.000 0.265 669 A C 0.791 178.376 177.584 0.002 0.000 1.133 669 A CA 0.629 52.662 52.037 -0.007 0.000 0.807 669 A CB -0.805 18.172 19.000 -0.039 0.000 1.102 669 A HN 0.870 nan 8.150 nan 0.000 0.502 670 G N -0.592 108.211 108.800 0.004 0.000 2.292 670 G HA2 0.054 4.053 3.960 0.065 0.000 0.194 670 G HA3 0.054 4.053 3.960 0.065 0.000 0.194 670 G C -0.492 174.416 174.900 0.013 0.000 1.329 670 G CA -0.012 45.091 45.100 0.005 0.000 1.100 670 G HN 1.091 nan 8.290 nan 0.000 0.470 671 N N 1.928 120.642 118.700 0.023 0.000 2.971 671 N HA 0.197 4.976 4.740 0.065 0.000 0.294 671 N C 1.809 177.350 175.510 0.053 0.000 1.210 671 N CA -0.340 52.728 53.050 0.030 0.000 1.157 671 N CB -0.356 38.151 38.487 0.033 0.000 1.450 671 N HN 0.401 nan 8.380 nan 0.000 0.527 672 I N 0.771 121.362 120.570 0.035 0.000 2.264 672 I HA -0.255 3.954 4.170 0.065 0.000 0.248 672 I C 2.104 178.226 176.117 0.009 0.000 1.111 672 I CA 0.816 62.138 61.300 0.036 0.000 1.382 672 I CB -1.538 36.452 38.000 -0.017 0.000 1.060 672 I HN 0.447 nan 8.210 nan 0.000 0.418 673 A N 0.746 123.560 122.820 -0.009 0.000 1.997 673 A HA -0.320 4.039 4.320 0.065 0.000 0.221 673 A C 2.088 179.690 177.584 0.029 0.000 1.172 673 A CA 2.287 54.317 52.037 -0.012 0.000 0.645 673 A CB -0.872 18.122 19.000 -0.010 0.000 0.813 673 A HN 0.458 nan 8.150 nan 0.000 0.454 674 D N 0.230 120.673 120.400 0.072 0.000 2.133 674 D HA -0.182 4.497 4.640 0.065 0.000 0.195 674 D C 1.525 177.909 176.300 0.141 0.000 0.997 674 D CA 1.937 56.009 54.000 0.121 0.000 0.840 674 D CB -0.225 40.683 40.800 0.181 0.000 0.947 674 D HN 0.682 nan 8.370 nan 0.000 0.452 675 I N -4.131 116.538 120.570 0.166 0.000 4.154 675 I HA 0.491 4.700 4.170 0.065 0.000 0.334 675 I C 1.819 178.052 176.117 0.193 0.000 1.371 675 I CA -0.063 61.358 61.300 0.202 0.000 1.110 675 I CB 0.186 38.357 38.000 0.285 0.000 1.085 675 I HN -0.081 nan 8.210 nan 0.000 0.398 676 A N 1.551 124.398 122.820 0.043 0.000 1.978 676 A HA -0.159 4.200 4.320 0.065 0.000 0.220 676 A C 1.508 179.065 177.584 -0.045 0.000 1.170 676 A CA 2.005 53.944 52.037 -0.163 0.000 0.636 676 A CB -0.428 18.419 19.000 -0.255 0.000 0.810 676 A HN 0.529 nan 8.150 nan 0.000 0.448 677 D N -0.825 119.583 120.400 0.012 0.000 2.440 677 D HA 0.045 4.724 4.640 0.065 0.000 0.216 677 D C -0.139 176.190 176.300 0.048 0.000 1.150 677 D CA -0.207 53.806 54.000 0.020 0.000 0.832 677 D CB -0.159 40.643 40.800 0.003 0.000 0.992 677 D HN 0.342 nan 8.370 nan 0.000 0.502 678 N N 1.016 119.762 118.700 0.077 0.000 2.430 678 N HA 0.055 4.834 4.740 0.065 0.000 0.265 678 N C 1.332 176.882 175.510 0.066 0.000 1.100 678 N CA -0.002 53.092 53.050 0.074 0.000 0.961 678 N CB 1.606 40.152 38.487 0.099 0.000 1.075 678 N HN -0.002 nan 8.380 nan 0.000 0.478 679 G N 3.199 112.036 108.800 0.061 0.000 2.422 679 G HA2 -0.243 3.756 3.960 0.065 0.000 0.218 679 G HA3 -0.243 3.756 3.960 0.065 0.000 0.218 679 G C 0.964 175.916 174.900 0.086 0.000 1.146 679 G CA 0.496 45.634 45.100 0.063 0.000 0.769 679 G HN 0.593 nan 8.290 nan 0.000 0.547 680 D N 0.888 121.345 120.400 0.095 0.000 2.117 680 D HA 0.003 4.683 4.640 0.065 0.000 0.198 680 D C 2.808 179.114 176.300 0.010 0.000 0.982 680 D CA 1.193 55.281 54.000 0.147 0.000 0.828 680 D CB -0.397 40.561 40.800 0.263 0.000 0.967 680 D HN 0.297 nan 8.370 nan 0.000 0.464 681 A N 0.869 123.520 122.820 -0.283 0.000 1.898 681 A HA -0.163 4.197 4.320 0.065 0.000 0.216 681 A C 2.024 179.408 177.584 -0.332 0.000 1.181 681 A CA 1.148 52.769 52.037 -0.694 0.000 0.620 681 A CB -0.413 18.126 19.000 -0.768 0.000 0.819 681 A HN 0.145 nan 8.150 nan 0.000 0.442 682 N N -1.490 117.163 118.700 -0.078 0.000 2.106 682 N HA -0.172 4.607 4.740 0.065 0.000 0.188 682 N C 1.703 177.204 175.510 -0.016 0.000 1.029 682 N CA 1.693 54.746 53.050 0.006 0.000 0.848 682 N CB -0.438 38.123 38.487 0.124 0.000 1.007 682 N HN 0.671 nan 8.380 nan 0.000 0.423 683 Y N 0.679 120.945 120.300 -0.056 0.000 2.165 683 Y HA -0.307 4.282 4.550 0.065 0.000 0.286 683 Y C 2.428 178.280 175.900 -0.079 0.000 1.155 683 Y CA 1.422 59.486 58.100 -0.061 0.000 1.164 683 Y CB -0.388 38.045 38.460 -0.046 0.000 0.978 683 Y HN 0.041 nan 8.280 nan 0.000 0.513 684 Y N 0.440 120.620 120.300 -0.201 0.000 2.114 684 Y HA -0.353 4.236 4.550 0.065 0.000 0.282 684 Y C 2.117 177.817 175.900 -0.332 0.000 1.165 684 Y CA 2.266 60.215 58.100 -0.251 0.000 1.148 684 Y CB -0.553 37.751 38.460 -0.261 0.000 0.972 684 Y HN 0.123 nan 8.280 nan 0.000 0.504 685 L N -1.180 119.974 121.223 -0.116 0.000 2.093 685 L HA -0.249 4.130 4.340 0.065 0.000 0.208 685 L C 2.421 179.161 176.870 -0.216 0.000 1.085 685 L CA 1.350 56.092 54.840 -0.163 0.000 0.755 685 L CB -0.526 41.394 42.059 -0.233 0.000 0.904 685 L HN 0.293 nan 8.230 nan 0.000 0.435 686 M N -0.560 118.850 119.600 -0.317 0.000 2.132 686 M HA -0.212 4.307 4.480 0.065 0.000 0.263 686 M C 2.262 178.292 176.300 -0.450 0.000 1.065 686 M CA 1.652 56.755 55.300 -0.328 0.000 1.122 686 M CB -0.332 32.069 32.600 -0.331 0.000 1.365 686 M HN 0.205 nan 8.290 nan 0.000 0.411 687 E N 0.523 120.254 120.200 -0.781 0.000 2.051 687 E HA -0.206 4.183 4.350 0.065 0.000 0.192 687 E C 1.998 178.230 176.600 -0.614 0.000 0.991 687 E CA 1.412 57.327 56.400 -0.809 0.000 0.799 687 E CB -0.005 29.181 29.700 -0.857 0.000 0.748 687 E HN 0.480 nan 8.360 nan 0.000 0.449 688 A N 0.222 122.803 122.820 -0.398 0.000 1.933 688 A HA -0.214 4.145 4.320 0.065 0.000 0.218 688 A C 2.034 179.520 177.584 -0.163 0.000 1.175 688 A CA 1.504 53.404 52.037 -0.229 0.000 0.628 688 A CB -0.911 18.013 19.000 -0.126 0.000 0.814 688 A HN 0.556 nan 8.150 nan 0.000 0.444 689 Y N 0.487 120.631 120.300 -0.261 0.000 2.145 689 Y HA -0.213 4.377 4.550 0.065 0.000 0.286 689 Y C 2.399 178.179 175.900 -0.200 0.000 1.145 689 Y CA 2.338 60.315 58.100 -0.205 0.000 1.148 689 Y CB -0.212 38.140 38.460 -0.179 0.000 0.981 689 Y HN 0.310 nan 8.280 nan 0.000 0.507 690 K N -0.713 119.577 120.400 -0.184 0.000 2.097 690 K HA -0.214 4.145 4.320 0.065 0.000 0.206 690 K C 1.125 177.635 176.600 -0.150 0.000 1.049 690 K CA 1.979 58.140 56.287 -0.210 0.000 0.933 690 K CB -0.392 31.925 32.500 -0.305 0.000 0.717 690 K HN 0.582 nan 8.250 nan 0.000 0.442 691 H N 0.165 119.116 119.070 -0.198 0.000 2.524 691 H HA 0.181 4.776 4.556 0.065 0.000 0.280 691 H C -0.089 175.079 175.328 -0.266 0.000 1.018 691 H CA 0.128 56.056 56.048 -0.200 0.000 1.165 691 H CB 0.172 29.814 29.762 -0.198 0.000 1.411 691 H HN 0.111 nan 8.280 nan 0.000 0.569 692 L N 0.024 121.104 121.223 -0.238 0.000 4.140 692 L HA -0.253 4.127 4.340 0.065 0.000 0.406 692 L C -0.449 176.163 176.870 -0.431 0.000 1.175 692 L CA 0.541 55.146 54.840 -0.391 0.000 0.939 692 L CB -1.772 40.035 42.059 -0.419 0.000 2.105 692 L HN 0.285 nan 8.230 nan 0.000 0.803 693 K N 0.754 120.969 120.400 -0.308 0.000 2.118 693 K HA 0.534 4.893 4.320 0.065 0.000 0.267 693 K C -2.205 174.261 176.600 -0.223 0.000 0.991 693 K CA -1.813 54.310 56.287 -0.272 0.000 0.916 693 K CB 0.877 33.271 32.500 -0.177 0.000 1.041 693 K HN -0.221 nan 8.250 nan 0.000 0.455 694 P HA 0.078 nan 4.420 nan 0.000 0.268 694 P C -0.775 176.459 177.300 -0.110 0.000 1.204 694 P CA 0.285 63.284 63.100 -0.168 0.000 0.768 694 P CB 0.462 32.061 31.700 -0.168 0.000 0.842 695 I N 1.732 122.250 120.570 -0.086 0.000 2.545 695 I HA 0.630 4.839 4.170 0.065 0.000 0.292 695 I C -0.285 175.782 176.117 -0.083 0.000 1.040 695 I CA -0.838 60.429 61.300 -0.055 0.000 1.068 695 I CB 2.178 40.170 38.000 -0.012 0.000 1.251 695 I HN 0.261 nan 8.210 nan 0.000 0.424 696 A N 7.458 130.239 122.820 -0.065 0.000 2.343 696 A HA 0.871 5.231 4.320 0.065 0.000 0.308 696 A C -1.138 176.543 177.584 0.162 0.000 1.092 696 A CA -0.430 51.550 52.037 -0.096 0.000 0.751 696 A CB 0.959 19.774 19.000 -0.308 0.000 1.203 696 A HN 0.656 nan 8.150 nan 0.000 0.452 697 L N 2.290 123.665 121.223 0.255 0.000 2.349 697 L HA 0.716 5.096 4.340 0.065 0.000 0.278 697 L C 0.266 177.338 176.870 0.337 0.000 0.996 697 L CA -0.512 54.487 54.840 0.265 0.000 0.825 697 L CB 1.924 44.086 42.059 0.173 0.000 1.243 697 L HN 0.793 nan 8.230 nan 0.000 0.412 698 A N 2.277 125.203 122.820 0.176 0.000 2.324 698 A HA 0.880 5.240 4.320 0.065 0.000 0.330 698 A C 0.627 178.197 177.584 -0.022 0.000 1.165 698 A CA 0.271 52.274 52.037 -0.056 0.000 0.813 698 A CB 1.233 20.021 19.000 -0.354 0.000 1.197 698 A HN 0.963 nan 8.150 nan 0.000 0.484 699 G N 1.523 110.298 108.800 -0.041 0.000 2.614 699 G HA2 -0.329 3.671 3.960 0.065 0.000 0.303 699 G HA3 -0.329 3.671 3.960 0.065 0.000 0.303 699 G C 0.454 175.355 174.900 0.001 0.000 1.270 699 G CA 0.861 45.946 45.100 -0.026 0.000 0.988 699 G HN 0.735 nan 8.290 nan 0.000 0.551 700 D N 1.248 121.644 120.400 -0.006 0.000 2.384 700 D HA 0.223 4.902 4.640 0.065 0.000 0.222 700 D C 2.518 178.818 176.300 -0.000 0.000 0.976 700 D CA 1.465 55.457 54.000 -0.014 0.000 0.915 700 D CB -0.605 40.178 40.800 -0.028 0.000 0.896 700 D HN 0.797 nan 8.370 nan 0.000 0.523 701 A N 0.233 123.091 122.820 0.064 0.000 2.172 701 A HA -0.130 4.229 4.320 0.065 0.000 0.216 701 A C 2.051 179.747 177.584 0.186 0.000 1.154 701 A CA 0.598 52.747 52.037 0.187 0.000 0.701 701 A CB -0.305 18.821 19.000 0.210 0.000 0.789 701 A HN 0.117 nan 8.150 nan 0.000 0.465 702 R N -0.287 120.266 120.500 0.089 0.000 2.241 702 R HA -0.071 4.308 4.340 0.065 0.000 0.224 702 R C 1.520 177.831 176.300 0.019 0.000 1.101 702 R CA 0.876 57.018 56.100 0.069 0.000 0.995 702 R CB -0.066 30.262 30.300 0.046 0.000 0.870 702 R HN 0.274 nan 8.270 nan 0.000 0.463 703 K N 0.051 120.416 120.400 -0.058 0.000 2.218 703 K HA -0.153 4.206 4.320 0.065 0.000 0.205 703 K C 1.559 178.050 176.600 -0.183 0.000 1.046 703 K CA 1.348 57.540 56.287 -0.159 0.000 0.933 703 K CB -0.240 32.090 32.500 -0.283 0.000 0.728 703 K HN 0.263 nan 8.250 nan 0.000 0.454 704 F N 1.358 121.283 119.950 -0.042 0.000 2.604 704 F HA -0.065 4.501 4.527 0.065 0.000 0.298 704 F C 2.037 177.787 175.800 -0.083 0.000 1.131 704 F CA 0.622 58.584 58.000 -0.063 0.000 1.457 704 F CB -0.045 38.917 39.000 -0.064 0.000 1.095 704 F HN -0.017 nan 8.300 nan 0.000 0.574 705 K N 0.359 120.805 120.400 0.076 0.000 2.160 705 K HA -0.222 4.137 4.320 0.065 0.000 0.206 705 K C 2.279 178.852 176.600 -0.045 0.000 1.047 705 K CA 1.174 57.458 56.287 -0.005 0.000 0.930 705 K CB -0.362 32.133 32.500 -0.009 0.000 0.720 705 K HN 0.282 nan 8.250 nan 0.000 0.450 706 A N 0.781 123.581 122.820 -0.033 0.000 1.969 706 A HA -0.124 4.235 4.320 0.065 0.000 0.218 706 A C 2.088 179.642 177.584 -0.049 0.000 1.169 706 A CA 1.813 53.822 52.037 -0.047 0.000 0.635 706 A CB -0.716 18.254 19.000 -0.049 0.000 0.810 706 A HN 0.289 nan 8.150 nan 0.000 0.445 707 T N 0.575 115.117 114.554 -0.020 0.000 2.915 707 T HA -0.045 4.344 4.350 0.065 0.000 0.269 707 T C 1.380 176.009 174.700 -0.118 0.000 1.071 707 T CA 1.464 63.548 62.100 -0.026 0.000 1.132 707 T CB -0.459 68.437 68.868 0.048 0.000 0.878 707 T HN 0.742 nan 8.240 nan 0.000 0.479 708 I N -2.022 118.421 120.570 -0.212 0.000 3.936 708 I HA 0.461 4.670 4.170 0.065 0.000 0.330 708 I C -0.388 175.466 176.117 -0.438 0.000 1.509 708 I CA -0.816 60.210 61.300 -0.457 0.000 1.126 708 I CB -0.262 37.274 38.000 -0.774 0.000 1.115 708 I HN -0.092 nan 8.210 nan 0.000 0.424 709 K N 2.062 122.331 120.400 -0.218 0.000 3.278 709 K HA -0.126 4.233 4.320 0.065 0.000 0.270 709 K C -0.503 176.026 176.600 -0.118 0.000 0.955 709 K CA 0.348 56.555 56.287 -0.134 0.000 0.723 709 K CB -1.234 31.209 32.500 -0.095 0.000 1.382 709 K HN 0.365 nan 8.250 nan 0.000 0.461 710 I N 0.924 121.425 120.570 -0.116 0.000 2.342 710 I HA 0.261 4.470 4.170 0.065 0.000 0.291 710 I C 1.333 177.432 176.117 -0.031 0.000 1.010 710 I CA -0.813 60.450 61.300 -0.060 0.000 1.308 710 I CB 0.580 38.548 38.000 -0.053 0.000 1.400 710 I HN 0.318 nan 8.210 nan 0.000 0.488 711 A N 4.969 127.781 122.820 -0.012 0.000 2.448 711 A HA 0.099 4.458 4.320 0.065 0.000 0.239 711 A C 1.098 178.679 177.584 -0.005 0.000 1.080 711 A CA -0.158 51.875 52.037 -0.007 0.000 0.779 711 A CB 0.088 19.088 19.000 -0.000 0.000 1.026 711 A HN 0.755 nan 8.150 nan 0.000 0.499 712 D N 0.101 120.498 120.400 -0.004 0.000 2.133 712 D HA -0.161 4.518 4.640 0.065 0.000 0.195 712 D C 1.695 177.996 176.300 0.003 0.000 0.997 712 D CA 1.798 55.797 54.000 -0.001 0.000 0.840 712 D CB -0.145 40.653 40.800 -0.002 0.000 0.947 712 D HN 0.591 nan 8.370 nan 0.000 0.452 713 Q N -0.063 119.739 119.800 0.003 0.000 2.308 713 Q HA 0.066 4.445 4.340 0.065 0.000 0.209 713 Q C 0.993 176.997 176.000 0.007 0.000 0.985 713 Q CA 1.114 56.920 55.803 0.005 0.000 0.881 713 Q CB -0.459 28.282 28.738 0.005 0.000 0.917 713 Q HN 0.379 nan 8.270 nan 0.000 0.443 714 G N -0.262 108.542 108.800 0.007 0.000 2.685 714 G HA2 -0.197 3.802 3.960 0.065 0.000 0.387 714 G HA3 -0.197 3.802 3.960 0.065 0.000 0.387 714 G C -1.053 173.852 174.900 0.009 0.000 1.324 714 G CA -0.208 44.896 45.100 0.008 0.000 0.878 714 G HN 0.230 nan 8.290 nan 0.000 0.527 715 E N -0.512 119.693 120.200 0.008 0.000 2.335 715 E HA 0.439 4.828 4.350 0.065 0.000 0.280 715 E C -0.407 176.189 176.600 -0.007 0.000 0.918 715 E CA -0.582 55.825 56.400 0.013 0.000 0.765 715 E CB 1.272 30.998 29.700 0.045 0.000 1.218 715 E HN 0.588 nan 8.360 nan 0.000 0.425 716 E N 1.461 121.649 120.200 -0.020 0.000 2.585 716 E HA 0.191 4.580 4.350 0.065 0.000 0.252 716 E C 0.689 177.248 176.600 -0.069 0.000 0.981 716 E CA 1.722 58.094 56.400 -0.047 0.000 0.943 716 E CB 0.455 30.127 29.700 -0.047 0.000 0.923 716 E HN 0.817 nan 8.360 nan 0.000 0.486 717 G N 3.353 112.098 108.800 -0.091 0.000 2.218 717 G HA2 -0.194 3.805 3.960 0.065 0.000 0.216 717 G HA3 -0.194 3.805 3.960 0.065 0.000 0.216 717 G C 0.012 174.861 174.900 -0.084 0.000 0.994 717 G CA -0.508 44.520 45.100 -0.121 0.000 0.637 717 G HN 0.421 nan 8.290 nan 0.000 0.505 718 I N 2.186 122.728 120.570 -0.046 0.000 2.355 718 I HA 0.513 4.722 4.170 0.065 0.000 0.288 718 I C 0.409 176.481 176.117 -0.076 0.000 0.999 718 I CA -1.314 59.965 61.300 -0.035 0.000 1.163 718 I CB 1.212 39.221 38.000 0.015 0.000 1.316 718 I HN -0.096 nan 8.210 nan 0.000 0.454 719 V N 7.466 127.292 119.914 -0.146 0.000 2.465 719 V HA 0.430 4.590 4.120 0.065 0.000 0.279 719 V C 0.180 176.191 176.094 -0.138 0.000 1.045 719 V CA -0.456 61.700 62.300 -0.240 0.000 0.938 719 V CB 1.329 32.844 31.823 -0.514 0.000 0.986 719 V HN 0.864 nan 8.190 nan 0.000 0.467 720 E N 4.133 124.339 120.200 0.010 0.000 2.366 720 E HA 0.893 5.282 4.350 0.065 0.000 0.278 720 E C -0.948 175.808 176.600 0.260 0.000 0.923 720 E CA -0.978 55.540 56.400 0.196 0.000 0.761 720 E CB 2.624 32.388 29.700 0.107 0.000 1.231 720 E HN 0.827 nan 8.360 nan 0.000 0.443 721 A N 1.634 124.629 122.820 0.290 0.000 2.515 721 A HA 0.331 4.690 4.320 0.065 0.000 0.292 721 A C -0.647 176.969 177.584 0.053 0.000 1.065 721 A CA -0.594 51.545 52.037 0.170 0.000 0.641 721 A CB 0.927 20.068 19.000 0.234 0.000 1.306 721 A HN 0.585 nan 8.150 nan 0.000 0.441 722 D N 0.429 120.833 120.400 0.007 0.000 2.178 722 D HA 0.052 4.731 4.640 0.065 0.000 0.202 722 D C 1.090 177.336 176.300 -0.090 0.000 0.974 722 D CA 2.285 56.267 54.000 -0.030 0.000 0.841 722 D CB 0.057 40.844 40.800 -0.023 0.000 0.953 722 D HN 0.805 nan 8.370 nan 0.000 0.478 723 S N -1.485 114.125 115.700 -0.150 0.000 2.671 723 S HA 0.697 5.206 4.470 0.065 0.000 0.277 723 S C -0.906 173.379 174.600 -0.525 0.000 1.165 723 S CA -0.952 57.089 58.200 -0.265 0.000 0.822 723 S CB 2.155 65.255 63.200 -0.167 0.000 1.150 723 S HN 0.019 nan 8.310 nan 0.000 0.479 724 A N 1.619 124.045 122.820 -0.657 0.000 2.415 724 A HA 0.612 4.971 4.320 0.065 0.000 0.309 724 A C -0.225 177.181 177.584 -0.298 0.000 1.356 724 A CA -0.338 51.152 52.037 -0.912 0.000 0.998 724 A CB -1.224 17.392 19.000 -0.640 0.000 1.145 724 A HN 0.853 nan 8.150 nan 0.000 0.545 725 D N 1.266 121.611 120.400 -0.093 0.000 2.723 725 D HA 0.553 5.232 4.640 0.065 0.000 0.247 725 D C 1.333 177.693 176.300 0.101 0.000 1.134 725 D CA 0.083 54.091 54.000 0.014 0.000 1.099 725 D CB -0.114 40.693 40.800 0.011 0.000 1.287 725 D HN 0.170 nan 8.370 nan 0.000 0.634 726 G N -0.593 108.248 108.800 0.068 0.000 2.459 726 G HA2 -0.283 3.716 3.960 0.065 0.000 0.217 726 G HA3 -0.283 3.716 3.960 0.065 0.000 0.217 726 G C 1.526 176.477 174.900 0.085 0.000 1.183 726 G CA 1.388 46.527 45.100 0.065 0.000 0.776 726 G HN 0.434 nan 8.290 nan 0.000 0.552 727 S N -0.375 115.380 115.700 0.091 0.000 2.368 727 S HA -0.102 4.407 4.470 0.065 0.000 0.225 727 S C 2.074 176.744 174.600 0.117 0.000 1.030 727 S CA 1.439 59.690 58.200 0.085 0.000 0.999 727 S CB -0.420 62.826 63.200 0.076 0.000 0.844 727 S HN 0.366 nan 8.310 nan 0.000 0.459 728 F N 2.011 121.959 119.950 -0.004 0.000 2.075 728 F HA -0.082 4.484 4.527 0.065 0.000 0.297 728 F C 2.159 177.954 175.800 -0.007 0.000 1.113 728 F CA 1.804 59.801 58.000 -0.005 0.000 1.218 728 F CB -0.304 38.695 39.000 -0.003 0.000 0.984 728 F HN 0.192 nan 8.300 nan 0.000 0.472 729 M N 0.152 119.908 119.600 0.260 0.000 2.175 729 M HA -0.172 4.347 4.480 0.065 0.000 0.264 729 M C 1.746 178.050 176.300 0.007 0.000 1.063 729 M CA 1.321 56.688 55.300 0.112 0.000 1.119 729 M CB -1.365 31.322 32.600 0.144 0.000 1.377 729 M HN 0.148 nan 8.290 nan 0.000 0.415 730 D N 0.575 120.986 120.400 0.018 0.000 2.117 730 D HA -0.134 4.545 4.640 0.065 0.000 0.197 730 D C 2.001 178.277 176.300 -0.040 0.000 0.987 730 D CA 1.174 55.171 54.000 -0.005 0.000 0.829 730 D CB -0.096 40.709 40.800 0.008 0.000 0.961 730 D HN 0.474 nan 8.370 nan 0.000 0.460 731 E N 0.338 120.497 120.200 -0.068 0.000 2.047 731 E HA -0.104 4.285 4.350 0.065 0.000 0.191 731 E C 2.151 178.666 176.600 -0.142 0.000 0.987 731 E CA 0.149 56.487 56.400 -0.103 0.000 0.799 731 E CB -0.038 29.584 29.700 -0.130 0.000 0.752 731 E HN 0.155 nan 8.360 nan 0.000 0.449 732 L N 1.101 122.203 121.223 -0.202 0.000 2.012 732 L HA -0.195 4.184 4.340 0.065 0.000 0.210 732 L C 2.212 179.011 176.870 -0.118 0.000 1.073 732 L CA 1.611 56.331 54.840 -0.201 0.000 0.748 732 L CB -0.440 41.465 42.059 -0.256 0.000 0.891 732 L HN 0.247 nan 8.230 nan 0.000 0.431 733 L N -0.528 120.648 121.223 -0.079 0.000 2.131 733 L HA -0.220 4.159 4.340 0.065 0.000 0.210 733 L C 2.475 179.319 176.870 -0.044 0.000 1.092 733 L CA 1.538 56.349 54.840 -0.048 0.000 0.759 733 L CB -0.712 41.331 42.059 -0.028 0.000 0.903 733 L HN 0.289 nan 8.230 nan 0.000 0.435 734 T N 0.166 114.690 114.554 -0.049 0.000 2.708 734 T HA -0.160 4.229 4.350 0.065 0.000 0.266 734 T C 1.951 176.617 174.700 -0.056 0.000 1.037 734 T CA 1.236 63.311 62.100 -0.041 0.000 1.146 734 T CB -0.260 68.586 68.868 -0.038 0.000 0.865 734 T HN 0.190 nan 8.240 nan 0.000 0.435 735 L N 0.339 121.509 121.223 -0.088 0.000 2.043 735 L HA -0.144 4.235 4.340 0.065 0.000 0.212 735 L C 2.730 179.531 176.870 -0.116 0.000 1.075 735 L CA 1.476 56.243 54.840 -0.121 0.000 0.752 735 L CB -0.593 41.373 42.059 -0.154 0.000 0.891 735 L HN 0.312 nan 8.230 nan 0.000 0.432 736 M N -0.868 118.680 119.600 -0.086 0.000 2.229 736 M HA -0.141 4.378 4.480 0.065 0.000 0.264 736 M C 2.495 178.792 176.300 -0.005 0.000 1.063 736 M CA 1.544 56.810 55.300 -0.057 0.000 1.114 736 M CB -0.489 32.089 32.600 -0.037 0.000 1.387 736 M HN 0.322 nan 8.290 nan 0.000 0.420 737 A N 0.442 123.261 122.820 -0.001 0.000 2.024 737 A HA -0.036 4.324 4.320 0.065 0.000 0.220 737 A C 2.132 179.754 177.584 0.063 0.000 1.164 737 A CA 1.844 53.901 52.037 0.033 0.000 0.643 737 A CB -0.661 18.353 19.000 0.023 0.000 0.806 737 A HN 0.517 nan 8.150 nan 0.000 0.451 738 A N -2.885 119.948 122.820 0.022 0.000 2.307 738 A HA 0.375 4.734 4.320 0.065 0.000 0.218 738 A C 0.904 178.505 177.584 0.028 0.000 1.228 738 A CA 1.209 53.271 52.037 0.041 0.000 0.857 738 A CB -0.431 18.552 19.000 -0.029 0.000 0.897 738 A HN 0.964 nan 8.150 nan 0.000 0.495 739 H N -1.313 117.694 119.070 -0.104 0.000 4.856 739 H HA -0.182 4.414 4.556 0.065 0.000 0.059 739 H C 0.122 175.223 175.328 -0.378 0.000 0.596 739 H CA 2.369 58.337 56.048 -0.133 0.000 0.946 739 H CB -0.594 29.195 29.762 0.045 0.000 0.453 739 H HN 0.452 nan 8.280 nan 0.000 0.801 740 R N -0.450 119.455 120.500 -0.992 0.000 2.855 740 R HA 0.648 5.027 4.340 0.065 0.000 0.266 740 R C -0.730 174.714 176.300 -1.427 0.000 1.034 740 R CA -0.276 55.017 56.100 -1.344 0.000 0.944 740 R CB 1.687 30.823 30.300 -1.941 0.000 1.219 740 R HN 0.072 nan 8.270 nan 0.000 0.474 741 V N 2.101 121.378 119.914 -1.061 0.000 2.217 741 V HA 0.146 4.306 4.120 0.065 0.000 0.264 741 V C 0.472 176.186 176.094 -0.634 0.000 1.107 741 V CA -0.490 61.382 62.300 -0.714 0.000 0.913 741 V CB 0.149 31.702 31.823 -0.450 0.000 1.153 741 V HN 0.715 nan 8.190 nan 0.000 0.469 742 W N 1.557 122.574 121.300 -0.471 0.000 2.465 742 W HA -0.139 4.560 4.660 0.065 0.000 0.268 742 W C 2.458 178.760 176.519 -0.361 0.000 1.242 742 W CA 0.785 57.758 57.345 -0.620 0.000 1.248 742 W CB -0.302 28.369 29.460 -1.315 0.000 1.118 742 W HN 0.654 nan 8.180 nan 0.000 0.587 743 S N 0.633 116.275 115.700 -0.096 0.000 2.481 743 S HA -0.118 4.391 4.470 0.065 0.000 0.231 743 S C 1.703 176.263 174.600 -0.067 0.000 0.996 743 S CA 0.739 58.910 58.200 -0.049 0.000 0.942 743 S CB -0.377 62.795 63.200 -0.046 0.000 0.768 743 S HN 0.393 nan 8.310 nan 0.000 0.520 744 R N 0.698 121.115 120.500 -0.138 0.000 2.276 744 R HA 0.239 4.618 4.340 0.065 0.000 0.203 744 R C 1.802 178.034 176.300 -0.113 0.000 1.017 744 R CA 0.469 56.466 56.100 -0.170 0.000 1.010 744 R CB -0.394 29.690 30.300 -0.360 0.000 0.900 744 R HN 0.470 nan 8.270 nan 0.000 0.469 745 I N 1.605 122.148 120.570 -0.046 0.000 2.151 745 I HA -0.240 3.969 4.170 0.065 0.000 0.243 745 I C -0.836 175.304 176.117 0.039 0.000 1.080 745 I CA 1.358 62.674 61.300 0.026 0.000 1.339 745 I CB -0.886 37.183 38.000 0.116 0.000 1.039 745 I HN 0.166 nan 8.210 nan 0.000 0.409 746 P HA -0.183 nan 4.420 nan 0.000 0.218 746 P C 1.195 178.524 177.300 0.048 0.000 1.148 746 P CA 1.497 64.626 63.100 0.049 0.000 0.822 746 P CB -0.080 31.646 31.700 0.043 0.000 0.784 747 K N -0.596 119.827 120.400 0.038 0.000 2.486 747 K HA 0.047 4.406 4.320 0.065 0.000 0.194 747 K C 1.878 178.541 176.600 0.106 0.000 1.033 747 K CA 0.583 56.917 56.287 0.077 0.000 1.004 747 K CB -0.316 32.251 32.500 0.113 0.000 0.798 747 K HN 0.318 nan 8.250 nan 0.000 0.495 748 I N -2.680 117.922 120.570 0.054 0.000 3.228 748 I HA 0.003 4.212 4.170 0.065 0.000 0.279 748 I C 1.082 177.242 176.117 0.071 0.000 1.221 748 I CA 0.684 62.020 61.300 0.061 0.000 1.458 748 I CB 0.032 38.023 38.000 -0.013 0.000 1.105 748 I HN -0.189 nan 8.210 nan 0.000 0.445 749 D N 2.397 122.840 120.400 0.071 0.000 2.191 749 D HA -0.216 4.463 4.640 0.065 0.000 0.195 749 D C 1.998 178.338 176.300 0.066 0.000 1.003 749 D CA 1.606 55.649 54.000 0.072 0.000 0.867 749 D CB -0.039 40.803 40.800 0.070 0.000 0.926 749 D HN 0.462 nan 8.370 nan 0.000 0.450 750 K N -0.496 119.944 120.400 0.067 0.000 2.314 750 K HA 0.052 4.412 4.320 0.065 0.000 0.198 750 K C 0.346 176.978 176.600 0.053 0.000 1.045 750 K CA -0.178 56.143 56.287 0.056 0.000 0.988 750 K CB 0.265 32.797 32.500 0.053 0.000 0.783 750 K HN 0.182 nan 8.250 nan 0.000 0.484 751 I N 0.959 121.569 120.570 0.066 0.000 2.533 751 I HA 0.142 4.351 4.170 0.065 0.000 0.284 751 I C -2.588 173.557 176.117 0.046 0.000 1.109 751 I CA -3.471 57.861 61.300 0.052 0.000 1.412 751 I CB -0.212 37.830 38.000 0.071 0.000 1.396 751 I HN -0.105 nan 8.210 nan 0.000 0.543 752 P HA 0.601 nan 4.420 nan 0.000 0.251 752 P C -0.793 176.560 177.300 0.088 0.000 1.718 752 P CA -0.061 63.074 63.100 0.057 0.000 1.119 752 P CB 0.420 32.149 31.700 0.049 0.000 1.762 753 A N 0.000 122.872 122.820 0.086 0.000 2.254 753 A HA 0.000 4.359 4.320 0.065 0.000 0.244 753 A CA 0.000 52.124 52.037 0.146 0.000 0.836 753 A CB 0.000 18.958 19.000 -0.070 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486