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 3pq3_1_B 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 0.000 174.564 174.600 -0.060 0.000 1.055 28 S CA 0.000 58.172 58.200 -0.046 0.000 1.107 28 S CB 0.000 63.172 63.200 -0.047 0.000 0.593 29 L N 2.928 124.107 121.223 -0.074 0.000 2.477 29 L HA 0.413 4.773 4.340 0.033 0.000 0.220 29 L C 1.553 178.347 176.870 -0.127 0.000 1.106 29 L CA 0.565 55.358 54.840 -0.079 0.000 0.851 29 L CB -0.489 41.533 42.059 -0.061 0.000 0.994 29 L HN 0.763 nan 8.230 nan 0.000 0.462 30 A N 1.373 124.067 122.820 -0.210 0.000 2.366 30 A HA 0.396 4.736 4.320 0.033 0.000 0.249 30 A C -2.077 175.363 177.584 -0.240 0.000 1.084 30 A CA -0.892 50.904 52.037 -0.402 0.000 0.794 30 A CB -0.505 17.999 19.000 -0.827 0.000 1.034 30 A HN -0.031 nan 8.150 nan 0.000 0.491 31 P HA 0.155 nan 4.420 nan 0.000 0.275 31 P C 0.295 177.585 177.300 -0.017 0.000 1.227 31 P CA -0.199 62.872 63.100 -0.049 0.000 0.781 31 P CB 0.998 32.709 31.700 0.018 0.000 0.906 32 E N 2.203 122.399 120.200 -0.008 0.000 2.136 32 E HA -0.260 4.110 4.350 0.033 0.000 0.208 32 E C 1.082 177.703 176.600 0.036 0.000 1.035 32 E CA 2.251 58.657 56.400 0.009 0.000 0.838 32 E CB -0.621 29.082 29.700 0.005 0.000 0.748 32 E HN 0.611 nan 8.360 nan 0.000 0.459 33 D N -1.737 118.690 120.400 0.045 0.000 2.336 33 D HA 0.066 4.725 4.640 0.033 0.000 0.229 33 D C 1.228 177.575 176.300 0.078 0.000 1.061 33 D CA 0.882 54.912 54.000 0.050 0.000 0.875 33 D CB -0.446 40.377 40.800 0.037 0.000 0.904 33 D HN 0.284 nan 8.370 nan 0.000 0.525 34 G N 0.575 109.461 108.800 0.143 0.000 2.175 34 G HA2 -0.386 3.593 3.960 0.033 0.000 0.265 34 G HA3 -0.386 3.593 3.960 0.033 0.000 0.265 34 G C 1.087 176.069 174.900 0.137 0.000 0.979 34 G CA 0.984 46.209 45.100 0.207 0.000 0.663 34 G HN 0.721 nan 8.290 nan 0.000 0.533 35 S N 0.595 116.387 115.700 0.153 0.000 2.603 35 S HA -0.044 4.446 4.470 0.033 0.000 0.229 35 S C 1.954 176.602 174.600 0.080 0.000 0.972 35 S CA 1.146 59.391 58.200 0.074 0.000 0.935 35 S CB -0.548 62.688 63.200 0.060 0.000 0.769 35 S HN 0.930 nan 8.310 nan 0.000 0.536 36 H N 0.966 120.042 119.070 0.011 0.000 2.495 36 H HA 0.227 4.803 4.556 0.032 0.000 0.287 36 H C 0.833 176.173 175.328 0.019 0.000 1.033 36 H CA 0.517 56.572 56.048 0.013 0.000 1.307 36 H CB -0.353 29.416 29.762 0.011 0.000 1.401 36 H HN 0.374 nan 8.280 nan 0.000 0.555 37 R N 2.189 122.371 120.500 -0.531 0.000 2.295 37 R HA 0.365 4.725 4.340 0.033 0.000 0.324 37 R C -2.682 173.522 176.300 -0.160 0.000 0.968 37 R CA -2.044 53.829 56.100 -0.378 0.000 0.837 37 R CB 1.033 31.031 30.300 -0.504 0.000 1.133 37 R HN 0.089 nan 8.270 nan 0.000 0.450 38 P HA 0.135 nan 4.420 nan 0.000 0.271 38 P C -1.017 176.274 177.300 -0.014 0.000 1.216 38 P CA -0.337 62.752 63.100 -0.018 0.000 0.776 38 P CB 1.107 32.821 31.700 0.024 0.000 0.881 39 A N 2.815 125.633 122.820 -0.004 0.000 2.498 39 A HA 0.396 4.735 4.320 0.033 0.000 0.239 39 A C 0.846 178.441 177.584 0.018 0.000 1.068 39 A CA 0.103 52.142 52.037 0.002 0.000 0.766 39 A CB -0.369 18.634 19.000 0.006 0.000 1.003 39 A HN 0.575 nan 8.150 nan 0.000 0.497 40 A N 2.983 125.813 122.820 0.018 0.000 3.118 40 A HA 0.508 4.848 4.320 0.033 0.000 0.256 40 A C 0.270 177.873 177.584 0.032 0.000 1.667 40 A CA 0.088 52.142 52.037 0.028 0.000 1.338 40 A CB -0.847 18.166 19.000 0.023 0.000 1.127 40 A HN 0.892 nan 8.150 nan 0.000 0.634 41 E N -0.151 120.070 120.200 0.036 0.000 2.390 41 E HA 0.482 4.852 4.350 0.033 0.000 0.280 41 E C -3.259 173.365 176.600 0.041 0.000 0.992 41 E CA -2.427 53.995 56.400 0.037 0.000 0.790 41 E CB 1.297 31.013 29.700 0.026 0.000 1.248 41 E HN 0.091 nan 8.360 nan 0.000 0.447 42 P HA 0.022 nan 4.420 nan 0.000 0.267 42 P C -0.513 176.799 177.300 0.019 0.000 1.205 42 P CA 0.270 63.389 63.100 0.032 0.000 0.765 42 P CB 0.607 32.314 31.700 0.013 0.000 0.828 43 T N 0.605 115.167 114.554 0.013 0.000 2.909 43 T HA 0.614 4.983 4.350 0.033 0.000 0.299 43 T C -2.973 171.701 174.700 -0.043 0.000 1.073 43 T CA -2.555 59.545 62.100 -0.000 0.000 0.999 43 T CB 1.609 70.482 68.868 0.009 0.000 1.098 43 T HN 0.096 nan 8.240 nan 0.000 0.477 44 P HA 0.389 nan 4.420 nan 0.000 0.274 44 P C -2.758 174.400 177.300 -0.237 0.000 1.246 44 P CA -1.695 61.248 63.100 -0.263 0.000 0.795 44 P CB -1.011 30.589 31.700 -0.167 0.000 1.006 45 P HA 0.058 nan 4.420 nan 0.000 0.264 45 P C 1.042 178.296 177.300 -0.077 0.000 1.193 45 P CA 1.466 64.470 63.100 -0.161 0.000 0.763 45 P CB -0.248 31.354 31.700 -0.164 0.000 0.810 46 G N 2.848 111.632 108.800 -0.027 0.000 2.184 46 G HA2 -0.362 3.618 3.960 0.033 0.000 0.264 46 G HA3 -0.362 3.618 3.960 0.033 0.000 0.264 46 G C 1.145 176.043 174.900 -0.004 0.000 0.975 46 G CA 0.455 45.552 45.100 -0.006 0.000 0.642 46 G HN 0.671 nan 8.290 nan 0.000 0.536 47 A N -1.298 121.515 122.820 -0.011 0.000 1.968 47 A HA 0.406 4.745 4.320 0.033 0.000 0.217 47 A C 1.382 178.969 177.584 0.005 0.000 1.169 47 A CA 1.928 53.963 52.037 -0.003 0.000 0.638 47 A CB 0.026 19.023 19.000 -0.006 0.000 0.812 47 A HN 0.489 nan 8.150 nan 0.000 0.446 48 Q N -1.000 118.806 119.800 0.010 0.000 2.495 48 Q HA 0.448 4.808 4.340 0.033 0.000 0.287 48 Q C -2.950 173.064 176.000 0.024 0.000 1.078 48 Q CA -2.050 53.763 55.803 0.017 0.000 0.793 48 Q CB 1.081 29.832 28.738 0.023 0.000 1.459 48 Q HN 0.080 nan 8.270 nan 0.000 0.422 49 P HA 0.065 nan 4.420 nan 0.000 0.271 49 P C -0.219 177.111 177.300 0.050 0.000 1.216 49 P CA -0.040 63.075 63.100 0.023 0.000 0.776 49 P CB 0.246 31.957 31.700 0.018 0.000 0.881 50 T N -0.655 113.927 114.554 0.047 0.000 2.813 50 T HA 0.582 4.951 4.350 0.033 0.000 0.297 50 T C 0.001 174.785 174.700 0.140 0.000 1.036 50 T CA -0.458 61.719 62.100 0.129 0.000 1.044 50 T CB 0.522 69.414 68.868 0.040 0.000 0.993 50 T HN 0.592 nan 8.240 nan 0.000 0.535 51 A N 1.512 124.516 122.820 0.306 0.000 2.606 51 A HA 0.760 5.100 4.320 0.033 0.000 0.293 51 A C -3.021 174.826 177.584 0.438 0.000 1.082 51 A CA -1.969 50.226 52.037 0.263 0.000 0.685 51 A CB 0.790 19.896 19.000 0.177 0.000 1.284 51 A HN 0.684 nan 8.150 nan 0.000 0.408 52 P HA 0.142 nan 4.420 nan 0.000 0.266 52 P C 1.132 178.587 177.300 0.257 0.000 1.195 52 P CA 0.751 64.073 63.100 0.369 0.000 0.768 52 P CB 0.585 32.421 31.700 0.227 0.000 0.838 53 G N 1.797 110.708 108.800 0.186 0.000 2.432 53 G HA2 -0.240 3.739 3.960 0.033 0.000 0.219 53 G HA3 -0.240 3.739 3.960 0.033 0.000 0.219 53 G C 1.496 176.415 174.900 0.033 0.000 1.135 53 G CA 0.933 46.057 45.100 0.040 0.000 0.767 53 G HN 0.593 nan 8.290 nan 0.000 0.550 54 S N 0.110 115.834 115.700 0.039 0.000 2.453 54 S HA 0.128 4.617 4.470 0.033 0.000 0.231 54 S C 2.196 176.816 174.600 0.033 0.000 1.005 54 S CA 0.574 58.782 58.200 0.012 0.000 0.949 54 S CB -0.187 63.013 63.200 -0.001 0.000 0.774 54 S HN 0.306 nan 8.310 nan 0.000 0.510 55 L N -0.047 121.213 121.223 0.062 0.000 2.249 55 L HA 0.233 4.593 4.340 0.033 0.000 0.207 55 L C 2.694 179.599 176.870 0.059 0.000 1.090 55 L CA 0.845 55.721 54.840 0.060 0.000 0.802 55 L CB -0.365 41.738 42.059 0.073 0.000 0.947 55 L HN 0.242 nan 8.230 nan 0.000 0.453 56 K N 1.407 121.853 120.400 0.077 0.000 2.062 56 K HA 0.032 4.371 4.320 0.033 0.000 0.205 56 K C 0.743 177.375 176.600 0.054 0.000 1.051 56 K CA 1.293 57.626 56.287 0.076 0.000 0.941 56 K CB 0.104 32.666 32.500 0.103 0.000 0.719 56 K HN 0.156 nan 8.250 nan 0.000 0.440 57 A N 0.573 123.416 122.820 0.040 0.000 3.317 57 A HA 0.361 4.701 4.320 0.033 0.000 0.307 57 A C -2.264 175.326 177.584 0.009 0.000 1.003 57 A CA -0.999 51.057 52.037 0.032 0.000 0.882 57 A CB 0.619 19.642 19.000 0.038 0.000 1.136 57 A HN 0.109 nan 8.150 nan 0.000 0.488 58 P HA -0.086 nan 4.420 nan 0.000 0.222 58 P C 0.119 177.412 177.300 -0.012 0.000 1.147 58 P CA 1.272 64.371 63.100 -0.001 0.000 0.790 58 P CB 0.346 32.050 31.700 0.006 0.000 0.780 59 D N -1.625 118.772 120.400 -0.005 0.000 2.369 59 D HA 0.036 4.695 4.640 0.033 0.000 0.211 59 D C 0.114 176.401 176.300 -0.022 0.000 1.077 59 D CA 0.411 54.404 54.000 -0.011 0.000 0.842 59 D CB -0.269 40.532 40.800 0.000 0.000 0.947 59 D HN 0.056 nan 8.370 nan 0.000 0.509 60 T N 2.796 117.334 114.554 -0.027 0.000 2.738 60 T HA 0.260 4.630 4.350 0.033 0.000 0.293 60 T C 0.477 175.130 174.700 -0.079 0.000 0.913 60 T CA -0.262 61.806 62.100 -0.053 0.000 1.103 60 T CB 0.846 69.679 68.868 -0.057 0.000 0.880 60 T HN -0.136 nan 8.240 nan 0.000 0.526 61 R N 3.235 123.682 120.500 -0.089 0.000 2.807 61 R HA 0.639 4.998 4.340 0.033 0.000 0.276 61 R C -0.460 175.775 176.300 -0.107 0.000 0.979 61 R CA -1.010 55.032 56.100 -0.097 0.000 0.928 61 R CB 1.819 32.071 30.300 -0.080 0.000 1.191 61 R HN 0.802 nan 8.270 nan 0.000 0.471 62 N N -1.956 116.684 118.700 -0.101 0.000 2.825 62 N HA 0.050 4.810 4.740 0.033 0.000 0.253 62 N C 0.241 175.703 175.510 -0.081 0.000 1.426 62 N CA -0.834 52.169 53.050 -0.078 0.000 0.851 62 N CB 0.918 39.388 38.487 -0.027 0.000 1.470 62 N HN 0.579 nan 8.380 nan 0.000 0.517 63 E N -0.187 119.980 120.200 -0.055 0.000 2.085 63 E HA -0.291 4.079 4.350 0.033 0.000 0.194 63 E C 1.057 177.583 176.600 -0.123 0.000 0.994 63 E CA 1.530 57.893 56.400 -0.063 0.000 0.801 63 E CB 0.083 29.772 29.700 -0.019 0.000 0.743 63 E HN 0.503 nan 8.360 nan 0.000 0.453 64 K N 0.691 120.981 120.400 -0.184 0.000 2.001 64 K HA -0.105 4.235 4.320 0.033 0.000 0.208 64 K C 2.092 178.517 176.600 -0.292 0.000 1.048 64 K CA 1.265 57.341 56.287 -0.352 0.000 0.932 64 K CB -0.488 31.630 32.500 -0.636 0.000 0.715 64 K HN 0.170 nan 8.250 nan 0.000 0.437 65 L N 0.885 121.951 121.223 -0.262 0.000 2.042 65 L HA -0.237 4.123 4.340 0.033 0.000 0.210 65 L C 1.948 178.696 176.870 -0.203 0.000 1.076 65 L CA 1.389 56.051 54.840 -0.297 0.000 0.749 65 L CB -0.610 41.268 42.059 -0.301 0.000 0.893 65 L HN 0.282 nan 8.230 nan 0.000 0.432 66 N N -0.318 118.290 118.700 -0.153 0.000 2.120 66 N HA -0.158 4.601 4.740 0.033 0.000 0.188 66 N C 2.042 177.488 175.510 -0.106 0.000 1.024 66 N CA 1.697 54.680 53.050 -0.112 0.000 0.852 66 N CB -0.494 37.943 38.487 -0.085 0.000 1.003 66 N HN 0.369 nan 8.380 nan 0.000 0.424 67 S N 0.459 116.086 115.700 -0.122 0.000 2.474 67 S HA 0.021 4.511 4.470 0.033 0.000 0.235 67 S C 1.825 176.358 174.600 -0.112 0.000 0.997 67 S CA 0.404 58.539 58.200 -0.108 0.000 0.949 67 S CB -0.479 62.651 63.200 -0.117 0.000 0.766 67 S HN 0.245 nan 8.310 nan 0.000 0.517 68 L N 0.720 121.860 121.223 -0.138 0.000 2.552 68 L HA 0.156 4.516 4.340 0.033 0.000 0.227 68 L C 2.665 179.481 176.870 -0.090 0.000 1.146 68 L CA 0.642 55.407 54.840 -0.125 0.000 0.858 68 L CB -0.368 41.596 42.059 -0.159 0.000 0.969 68 L HN 0.288 nan 8.230 nan 0.000 0.451 69 E N 1.049 121.199 120.200 -0.082 0.000 2.160 69 E HA -0.256 4.113 4.350 0.033 0.000 0.195 69 E C 1.653 178.227 176.600 -0.043 0.000 0.991 69 E CA 1.472 57.837 56.400 -0.057 0.000 0.810 69 E CB -0.077 29.593 29.700 -0.050 0.000 0.742 69 E HN 0.566 nan 8.360 nan 0.000 0.466 70 D N -0.530 119.843 120.400 -0.045 0.000 2.309 70 D HA -0.142 4.518 4.640 0.033 0.000 0.212 70 D C 1.616 177.895 176.300 -0.034 0.000 0.968 70 D CA 1.503 55.481 54.000 -0.036 0.000 0.882 70 D CB -0.296 40.482 40.800 -0.036 0.000 0.918 70 D HN 0.309 nan 8.370 nan 0.000 0.503 71 V N -3.675 116.216 119.914 -0.039 0.000 3.645 71 V HA 0.315 4.455 4.120 0.033 0.000 0.275 71 V C 0.939 177.018 176.094 -0.025 0.000 1.356 71 V CA -0.647 61.633 62.300 -0.032 0.000 1.051 71 V CB -0.435 31.368 31.823 -0.033 0.000 0.828 71 V HN -0.162 nan 8.190 nan 0.000 0.441 72 R N 2.127 122.612 120.500 -0.025 0.000 2.537 72 R HA 0.372 4.732 4.340 0.033 0.000 0.280 72 R C -0.159 176.134 176.300 -0.011 0.000 1.058 72 R CA 0.222 56.315 56.100 -0.012 0.000 1.057 72 R CB 0.569 30.862 30.300 -0.012 0.000 0.973 72 R HN 0.389 nan 8.270 nan 0.000 0.438 73 K N 1.280 121.677 120.400 -0.005 0.000 2.426 73 K HA 0.313 4.652 4.320 0.033 0.000 0.254 73 K C -0.073 176.534 176.600 0.010 0.000 0.936 73 K CA -0.452 55.820 56.287 -0.025 0.000 0.801 73 K CB 1.818 34.286 32.500 -0.053 0.000 1.139 73 K HN 0.731 nan 8.250 nan 0.000 0.424 74 G N 0.567 109.391 108.800 0.041 0.000 2.546 74 G HA2 0.210 4.190 3.960 0.033 0.000 0.239 74 G HA3 0.210 4.190 3.960 0.033 0.000 0.239 74 G C 0.401 175.396 174.900 0.159 0.000 1.476 74 G CA 0.346 45.524 45.100 0.130 0.000 1.064 74 G HN 0.713 nan 8.290 nan 0.000 0.561 75 S N -2.661 113.215 115.700 0.293 0.000 2.302 75 S HA 0.099 4.588 4.470 0.033 0.000 0.258 75 S C 0.165 174.941 174.600 0.294 0.000 0.957 75 S CA -0.116 58.261 58.200 0.296 0.000 1.330 75 S CB -0.034 63.253 63.200 0.144 0.000 0.982 75 S HN 0.535 nan 8.310 nan 0.000 0.459 76 E N 3.199 123.489 120.200 0.151 0.000 2.384 76 E HA 0.353 4.723 4.350 0.033 0.000 0.266 76 E C -0.262 176.261 176.600 -0.129 0.000 1.012 76 E CA -0.015 56.400 56.400 0.026 0.000 0.901 76 E CB 0.037 29.742 29.700 0.009 0.000 0.967 76 E HN 0.358 nan 8.360 nan 0.000 0.435 77 N N 0.502 119.138 118.700 -0.106 0.000 2.878 77 N HA -0.199 4.561 4.740 0.033 0.000 0.247 77 N C -1.244 174.128 175.510 -0.229 0.000 1.021 77 N CA 1.138 54.077 53.050 -0.185 0.000 0.873 77 N CB -1.357 36.973 38.487 -0.260 0.000 1.128 77 N HN 0.412 nan 8.380 nan 0.000 0.571 78 Y N 0.479 120.784 120.300 0.008 0.000 2.420 78 Y HA 0.656 5.226 4.550 0.033 0.000 0.334 78 Y C 0.813 176.716 175.900 0.004 0.000 1.094 78 Y CA -0.663 57.441 58.100 0.007 0.000 1.126 78 Y CB 1.187 39.651 38.460 0.007 0.000 1.217 78 Y HN 0.119 nan 8.280 nan 0.000 0.462 79 A N 2.537 125.469 122.820 0.187 0.000 2.425 79 A HA 0.371 4.711 4.320 0.033 0.000 0.249 79 A C -0.662 176.970 177.584 0.081 0.000 1.084 79 A CA -0.491 51.606 52.037 0.100 0.000 0.781 79 A CB 0.033 19.080 19.000 0.078 0.000 1.019 79 A HN 0.711 nan 8.150 nan 0.000 0.490 80 L N 3.149 124.401 121.223 0.048 0.000 2.477 80 L HA 0.445 4.805 4.340 0.033 0.000 0.272 80 L C 0.702 177.581 176.870 0.015 0.000 1.157 80 L CA 1.266 56.120 54.840 0.024 0.000 0.889 80 L CB 0.078 42.143 42.059 0.010 0.000 1.158 80 L HN 0.895 nan 8.230 nan 0.000 0.473 81 T N 0.513 115.071 114.554 0.006 0.000 2.887 81 T HA 0.667 5.036 4.350 0.033 0.000 0.292 81 T C 0.239 174.942 174.700 0.006 0.000 1.087 81 T CA -0.192 61.914 62.100 0.010 0.000 1.009 81 T CB 1.062 69.939 68.868 0.013 0.000 1.203 81 T HN 0.782 nan 8.240 nan 0.000 0.518 82 T N 0.538 115.111 114.554 0.031 0.000 2.701 82 T HA 0.172 4.542 4.350 0.033 0.000 0.303 82 T C 1.154 175.872 174.700 0.029 0.000 1.030 82 T CA -0.440 61.687 62.100 0.045 0.000 1.010 82 T CB -0.109 68.834 68.868 0.125 0.000 1.007 82 T HN 0.583 nan 8.240 nan 0.000 0.532 83 N N 0.596 119.314 118.700 0.031 0.000 2.443 83 N HA -0.086 4.674 4.740 0.033 0.000 0.184 83 N C 1.611 177.140 175.510 0.031 0.000 1.037 83 N CA 0.714 53.775 53.050 0.018 0.000 0.896 83 N CB -0.214 38.292 38.487 0.031 0.000 0.959 83 N HN 0.576 nan 8.380 nan 0.000 0.442 84 Q N -0.545 119.288 119.800 0.054 0.000 2.403 84 Q HA 0.182 4.542 4.340 0.033 0.000 0.203 84 Q C 0.823 176.846 176.000 0.039 0.000 0.932 84 Q CA 0.282 56.113 55.803 0.047 0.000 0.945 84 Q CB 0.435 29.206 28.738 0.055 0.000 1.045 84 Q HN 0.419 nan 8.270 nan 0.000 0.511 85 G N 0.409 109.230 108.800 0.035 0.000 2.141 85 G HA2 -0.232 3.747 3.960 0.033 0.000 0.231 85 G HA3 -0.232 3.747 3.960 0.033 0.000 0.231 85 G C 0.090 175.015 174.900 0.043 0.000 0.984 85 G CA 0.093 45.208 45.100 0.025 0.000 0.660 85 G HN 0.222 nan 8.290 nan 0.000 0.525 86 V N 1.789 121.745 119.914 0.069 0.000 2.432 86 V HA 0.380 4.519 4.120 0.033 0.000 0.275 86 V C 1.270 177.405 176.094 0.068 0.000 1.043 86 V CA -0.618 61.735 62.300 0.088 0.000 0.925 86 V CB 1.146 33.066 31.823 0.163 0.000 0.985 86 V HN 0.394 nan 8.190 nan 0.000 0.466 87 R N 4.401 124.934 120.500 0.054 0.000 2.537 87 R HA 0.330 4.690 4.340 0.033 0.000 0.280 87 R C -0.491 175.825 176.300 0.025 0.000 1.058 87 R CA -0.022 56.100 56.100 0.037 0.000 1.057 87 R CB 0.463 30.784 30.300 0.035 0.000 0.973 87 R HN 0.579 nan 8.270 nan 0.000 0.438 88 I N 2.244 122.817 120.570 0.005 0.000 2.353 88 I HA 0.103 4.292 4.170 0.033 0.000 0.293 88 I C 1.027 177.134 176.117 -0.016 0.000 0.992 88 I CA 0.046 61.333 61.300 -0.021 0.000 1.268 88 I CB 1.829 39.806 38.000 -0.038 0.000 1.387 88 I HN 0.774 nan 8.210 nan 0.000 0.478 89 A N 4.152 126.958 122.820 -0.023 0.000 1.911 89 A HA 0.001 4.341 4.320 0.033 0.000 0.212 89 A C 0.714 178.283 177.584 -0.025 0.000 1.189 89 A CA 0.911 52.938 52.037 -0.017 0.000 0.639 89 A CB 0.048 19.040 19.000 -0.013 0.000 0.839 89 A HN 0.684 nan 8.150 nan 0.000 0.449 90 D N -0.470 119.907 120.400 -0.039 0.000 2.440 90 D HA 0.330 4.989 4.640 0.033 0.000 0.252 90 D C -1.302 174.966 176.300 -0.053 0.000 1.180 90 D CA -0.367 53.609 54.000 -0.041 0.000 0.894 90 D CB 1.118 41.894 40.800 -0.040 0.000 1.111 90 D HN 0.059 nan 8.370 nan 0.000 0.544 91 D N 2.022 122.394 120.400 -0.047 0.000 2.395 91 D HA 0.059 4.719 4.640 0.033 0.000 0.226 91 D C 0.622 176.890 176.300 -0.052 0.000 1.146 91 D CA 0.281 54.249 54.000 -0.053 0.000 0.830 91 D CB 0.501 41.275 40.800 -0.043 0.000 0.958 91 D HN 0.242 nan 8.370 nan 0.000 0.501 92 Q N -0.737 119.034 119.800 -0.049 0.000 2.245 92 Q HA 0.266 4.626 4.340 0.033 0.000 0.236 92 Q C -0.115 175.856 176.000 -0.050 0.000 0.842 92 Q CA 0.182 55.956 55.803 -0.047 0.000 0.945 92 Q CB 0.840 29.555 28.738 -0.038 0.000 1.122 92 Q HN 0.186 nan 8.270 nan 0.000 0.506 93 N N 0.061 118.729 118.700 -0.053 0.000 2.284 93 N HA 0.330 5.090 4.740 0.033 0.000 0.289 93 N C -0.959 174.516 175.510 -0.059 0.000 1.179 93 N CA -0.277 52.742 53.050 -0.051 0.000 0.774 93 N CB 2.126 40.588 38.487 -0.042 0.000 1.548 93 N HN -0.183 nan 8.380 nan 0.000 0.473 94 S N 0.695 116.363 115.700 -0.053 0.000 2.617 94 S HA 0.295 4.785 4.470 0.033 0.000 0.269 94 S C 0.086 174.659 174.600 -0.045 0.000 1.292 94 S CA -0.553 57.615 58.200 -0.054 0.000 1.010 94 S CB 0.705 63.880 63.200 -0.042 0.000 0.944 94 S HN 0.377 nan 8.310 nan 0.000 0.536 95 L N 3.582 124.778 121.223 -0.046 0.000 2.319 95 L HA 0.464 4.823 4.340 0.033 0.000 0.280 95 L C 0.028 176.888 176.870 -0.017 0.000 1.099 95 L CA 0.340 55.161 54.840 -0.031 0.000 0.828 95 L CB 0.022 42.065 42.059 -0.028 0.000 1.150 95 L HN 0.735 nan 8.230 nan 0.000 0.442 96 R N 4.166 124.659 120.500 -0.012 0.000 2.774 96 R HA 0.849 5.208 4.340 0.033 0.000 0.272 96 R C -1.258 175.040 176.300 -0.003 0.000 1.000 96 R CA -0.828 55.268 56.100 -0.007 0.000 0.906 96 R CB 1.203 31.496 30.300 -0.011 0.000 1.227 96 R HN 0.594 nan 8.270 nan 0.000 0.468 97 A N 1.557 124.377 122.820 -0.000 0.000 2.666 97 A HA 0.592 4.931 4.320 0.033 0.000 0.312 97 A C 0.702 178.286 177.584 -0.001 0.000 1.471 97 A CA 0.319 52.357 52.037 0.002 0.000 1.134 97 A CB -0.866 18.137 19.000 0.004 0.000 1.129 97 A HN 1.276 nan 8.150 nan 0.000 0.539 98 G N 1.243 110.042 108.800 -0.002 0.000 2.758 98 G HA2 -0.013 3.966 3.960 0.033 0.000 0.686 98 G HA3 -0.013 3.966 3.960 0.033 0.000 0.686 98 G C 0.731 175.627 174.900 -0.006 0.000 1.389 98 G CA 0.167 45.265 45.100 -0.003 0.000 0.845 98 G HN 1.874 nan 8.290 nan 0.000 0.572 99 S N -0.716 114.979 115.700 -0.007 0.000 2.561 99 S HA 0.081 4.570 4.470 0.033 0.000 0.225 99 S C 1.479 176.073 174.600 -0.010 0.000 0.977 99 S CA 1.192 59.386 58.200 -0.010 0.000 0.926 99 S CB 0.138 63.332 63.200 -0.010 0.000 0.769 99 S HN 0.735 nan 8.310 nan 0.000 0.533 100 R N 0.915 121.410 120.500 -0.008 0.000 2.613 100 R HA 0.346 4.706 4.340 0.033 0.000 0.361 100 R C 0.797 177.093 176.300 -0.007 0.000 1.072 100 R CA 0.001 56.096 56.100 -0.008 0.000 1.089 100 R CB 0.830 31.126 30.300 -0.007 0.000 1.343 100 R HN 0.438 nan 8.270 nan 0.000 0.571 101 G N 1.644 110.440 108.800 -0.006 0.000 2.613 101 G HA2 0.401 4.380 3.960 0.033 0.000 0.303 101 G HA3 0.401 4.380 3.960 0.033 0.000 0.303 101 G C -2.437 172.460 174.900 -0.005 0.000 1.312 101 G CA -1.143 43.954 45.100 -0.004 0.000 1.036 101 G HN -0.105 nan 8.290 nan 0.000 0.513 102 P HA 0.208 nan 4.420 nan 0.000 0.275 102 P C -0.134 177.165 177.300 -0.002 0.000 1.228 102 P CA -0.038 63.062 63.100 -0.001 0.000 0.786 102 P CB 0.757 32.458 31.700 0.002 0.000 0.927 103 T N 2.981 117.533 114.554 -0.003 0.000 2.901 103 T HA 0.217 4.586 4.350 0.033 0.000 0.301 103 T C 0.528 175.231 174.700 0.004 0.000 1.012 103 T CA -0.075 62.022 62.100 -0.004 0.000 1.135 103 T CB -0.047 68.817 68.868 -0.008 0.000 0.936 103 T HN 0.192 nan 8.240 nan 0.000 0.539 104 L N 3.725 124.952 121.223 0.007 0.000 2.312 104 L HA 0.284 4.643 4.340 0.033 0.000 0.281 104 L C 1.444 178.331 176.870 0.027 0.000 1.070 104 L CA -0.771 54.079 54.840 0.017 0.000 0.805 104 L CB 0.816 42.888 42.059 0.020 0.000 1.174 104 L HN 0.516 nan 8.230 nan 0.000 0.434 105 L N 2.551 123.794 121.223 0.033 0.000 2.191 105 L HA -0.192 4.168 4.340 0.033 0.000 0.212 105 L C 2.283 179.193 176.870 0.067 0.000 1.103 105 L CA 1.651 56.518 54.840 0.044 0.000 0.769 105 L CB -0.577 41.506 42.059 0.039 0.000 0.908 105 L HN 0.791 nan 8.230 nan 0.000 0.438 106 E N -1.610 118.634 120.200 0.073 0.000 2.511 106 E HA -0.157 4.213 4.350 0.033 0.000 0.196 106 E C 0.184 176.887 176.600 0.171 0.000 1.066 106 E CA 0.165 56.638 56.400 0.120 0.000 0.871 106 E CB -0.511 29.252 29.700 0.107 0.000 0.863 106 E HN 0.358 nan 8.360 nan 0.000 0.520 107 D N 1.339 121.791 120.400 0.087 0.000 2.545 107 D HA -0.049 4.610 4.640 0.033 0.000 0.227 107 D C 0.505 176.812 176.300 0.011 0.000 1.150 107 D CA -0.477 53.524 54.000 0.002 0.000 1.046 107 D CB -0.330 40.445 40.800 -0.042 0.000 1.098 107 D HN 0.327 nan 8.370 nan 0.000 0.502 108 F N 1.405 121.363 119.950 0.014 0.000 2.365 108 F HA 0.032 4.578 4.527 0.032 0.000 0.300 108 F C 1.578 177.391 175.800 0.021 0.000 1.090 108 F CA 0.238 58.249 58.000 0.019 0.000 1.408 108 F CB -0.584 38.428 39.000 0.018 0.000 1.060 108 F HN 0.160 nan 8.300 nan 0.000 0.534 109 I N 0.331 120.486 120.570 -0.692 0.000 2.193 109 I HA -0.191 3.998 4.170 0.033 0.000 0.240 109 I C 2.489 178.497 176.117 -0.181 0.000 1.084 109 I CA 1.028 62.050 61.300 -0.464 0.000 1.365 109 I CB -0.585 37.087 38.000 -0.548 0.000 1.064 109 I HN 0.280 nan 8.210 nan 0.000 0.410 110 L N 1.266 122.396 121.223 -0.155 0.000 2.012 110 L HA -0.212 4.147 4.340 0.033 0.000 0.210 110 L C 2.644 179.505 176.870 -0.016 0.000 1.073 110 L CA 1.909 56.704 54.840 -0.075 0.000 0.748 110 L CB -0.594 41.426 42.059 -0.064 0.000 0.891 110 L HN 0.059 nan 8.230 nan 0.000 0.431 111 R N -0.689 119.820 120.500 0.015 0.000 2.092 111 R HA -0.162 4.198 4.340 0.033 0.000 0.231 111 R C 2.305 178.661 176.300 0.093 0.000 1.119 111 R CA 1.434 57.572 56.100 0.064 0.000 0.970 111 R CB -0.332 30.021 30.300 0.088 0.000 0.864 111 R HN 0.590 nan 8.270 nan 0.000 0.440 112 E N 1.188 121.448 120.200 0.100 0.000 2.072 112 E HA -0.230 4.140 4.350 0.033 0.000 0.191 112 E C 1.929 178.607 176.600 0.129 0.000 0.985 112 E CA 1.178 57.655 56.400 0.129 0.000 0.801 112 E CB 0.118 29.898 29.700 0.133 0.000 0.750 112 E HN 0.136 nan 8.360 nan 0.000 0.452 113 K N 0.293 120.738 120.400 0.075 0.000 2.057 113 K HA -0.150 4.189 4.320 0.033 0.000 0.207 113 K C 2.067 178.743 176.600 0.127 0.000 1.049 113 K CA 1.367 57.697 56.287 0.072 0.000 0.931 113 K CB -0.009 32.492 32.500 0.002 0.000 0.714 113 K HN 0.157 nan 8.250 nan 0.000 0.440 114 I N 1.143 121.771 120.570 0.095 0.000 2.406 114 I HA -0.155 4.034 4.170 0.033 0.000 0.249 114 I C 2.105 178.329 176.117 0.178 0.000 1.122 114 I CA 1.191 62.565 61.300 0.123 0.000 1.431 114 I CB -1.380 36.652 38.000 0.054 0.000 1.087 114 I HN 0.213 nan 8.210 nan 0.000 0.424 115 T N -0.141 114.510 114.554 0.160 0.000 2.720 115 T HA -0.234 4.136 4.350 0.033 0.000 0.268 115 T C 1.960 176.788 174.700 0.215 0.000 1.037 115 T CA 1.513 63.727 62.100 0.191 0.000 1.144 115 T CB -0.419 68.572 68.868 0.205 0.000 0.864 115 T HN 0.344 nan 8.240 nan 0.000 0.444 116 H N -0.138 119.022 119.070 0.150 0.000 2.357 116 H HA -0.041 4.535 4.556 0.034 0.000 0.301 116 H C 2.205 177.583 175.328 0.083 0.000 1.082 116 H CA 1.455 57.576 56.048 0.121 0.000 1.342 116 H CB -0.450 29.365 29.762 0.088 0.000 1.389 116 H HN 0.379 nan 8.280 nan 0.000 0.511 117 F N 2.211 122.225 119.950 0.106 0.000 2.065 117 F HA -0.244 4.304 4.527 0.036 0.000 0.298 117 F C 1.989 177.736 175.800 -0.089 0.000 1.112 117 F CA 2.021 60.028 58.000 0.012 0.000 1.212 117 F CB -0.391 38.609 39.000 0.001 0.000 0.975 117 F HN 0.093 nan 8.300 nan 0.000 0.476 118 D N -1.302 119.004 120.400 -0.157 0.000 2.309 118 D HA -0.138 4.522 4.640 0.033 0.000 0.212 118 D C 1.225 177.137 176.300 -0.646 0.000 0.968 118 D CA 1.167 54.913 54.000 -0.423 0.000 0.882 118 D CB -0.380 40.141 40.800 -0.465 0.000 0.918 118 D HN 0.502 nan 8.370 nan 0.000 0.503 119 H N -0.421 118.533 119.070 -0.194 0.000 2.475 119 H HA 0.227 4.802 4.556 0.032 0.000 0.276 119 H C 0.986 176.158 175.328 -0.260 0.000 1.126 119 H CA -0.105 55.826 56.048 -0.195 0.000 1.023 119 H CB 0.484 30.150 29.762 -0.160 0.000 1.669 119 H HN 0.265 nan 8.280 nan 0.000 0.573 120 E N 0.621 120.663 120.200 -0.263 0.000 2.150 120 E HA -0.042 4.327 4.350 0.033 0.000 0.193 120 E C 0.494 176.947 176.600 -0.245 0.000 0.985 120 E CA 0.558 56.774 56.400 -0.307 0.000 0.814 120 E CB 0.470 29.961 29.700 -0.349 0.000 0.752 120 E HN 0.140 nan 8.360 nan 0.000 0.466 121 R N 1.080 121.499 120.500 -0.135 0.000 2.404 121 R HA 0.391 4.751 4.340 0.033 0.000 0.291 121 R C 0.359 176.705 176.300 0.077 0.000 1.025 121 R CA -0.354 55.740 56.100 -0.010 0.000 0.991 121 R CB 0.829 31.113 30.300 -0.027 0.000 1.053 121 R HN 0.150 nan 8.270 nan 0.000 0.479 122 I N -1.055 119.622 120.570 0.178 0.000 2.846 122 I HA 0.604 4.793 4.170 0.033 0.000 0.307 122 I C -2.264 173.918 176.117 0.109 0.000 1.053 122 I CA -2.870 58.522 61.300 0.154 0.000 1.050 122 I CB 1.992 40.117 38.000 0.208 0.000 1.239 122 I HN 0.241 nan 8.210 nan 0.000 0.439 123 P HA 0.107 nan 4.420 nan 0.000 0.268 123 P C -0.989 176.343 177.300 0.053 0.000 1.205 123 P CA -0.060 63.071 63.100 0.051 0.000 0.771 123 P CB 0.444 32.163 31.700 0.032 0.000 0.858 124 E N 2.543 122.777 120.200 0.056 0.000 2.345 124 E HA 0.224 4.594 4.350 0.033 0.000 0.259 124 E C -0.471 176.157 176.600 0.047 0.000 1.117 124 E CA -0.879 55.559 56.400 0.063 0.000 0.913 124 E CB 0.673 30.418 29.700 0.074 0.000 1.057 124 E HN 0.249 nan 8.360 nan 0.000 0.432 125 R N 0.913 121.446 120.500 0.055 0.000 2.640 125 R HA -0.022 4.338 4.340 0.033 0.000 0.270 125 R C 1.276 177.615 176.300 0.063 0.000 1.024 125 R CA -0.376 55.754 56.100 0.051 0.000 1.085 125 R CB 0.243 30.593 30.300 0.084 0.000 0.963 125 R HN 0.583 nan 8.270 nan 0.000 0.426 126 I N 1.810 122.412 120.570 0.054 0.000 2.226 126 I HA -0.134 4.056 4.170 0.033 0.000 0.245 126 I C 1.241 177.418 176.117 0.100 0.000 1.100 126 I CA 1.514 62.856 61.300 0.070 0.000 1.374 126 I CB -1.030 37.016 38.000 0.076 0.000 1.057 126 I HN 0.401 nan 8.210 nan 0.000 0.413 127 V N -3.291 116.718 119.914 0.157 0.000 3.074 127 V HA 0.517 4.657 4.120 0.033 0.000 0.314 127 V C 0.385 176.658 176.094 0.299 0.000 1.117 127 V CA -0.842 61.580 62.300 0.202 0.000 1.014 127 V CB 1.775 33.789 31.823 0.318 0.000 1.057 127 V HN 0.432 nan 8.190 nan 0.000 0.438 128 H N 0.162 119.301 119.070 0.115 0.000 2.862 128 H HA -0.211 4.361 4.556 0.028 0.000 0.290 128 H C 1.521 176.902 175.328 0.087 0.000 1.211 128 H CA 0.722 56.832 56.048 0.103 0.000 1.140 128 H CB -1.210 28.603 29.762 0.086 0.000 1.341 128 H HN 1.159 nan 8.280 nan 0.000 0.392 129 A N 0.713 123.627 122.820 0.157 0.000 2.019 129 A HA -0.108 4.232 4.320 0.033 0.000 0.219 129 A C 1.680 179.357 177.584 0.155 0.000 1.164 129 A CA 1.325 53.443 52.037 0.135 0.000 0.644 129 A CB -0.066 18.992 19.000 0.097 0.000 0.805 129 A HN 0.266 nan 8.150 nan 0.000 0.449 130 R N 0.100 120.693 120.500 0.154 0.000 2.202 130 R HA 0.523 4.883 4.340 0.033 0.000 0.334 130 R C -0.148 176.281 176.300 0.216 0.000 1.036 130 R CA 0.678 56.887 56.100 0.183 0.000 0.878 130 R CB 0.402 30.796 30.300 0.156 0.000 1.067 130 R HN 0.334 nan 8.270 nan 0.000 0.457 131 G N 0.875 109.829 108.800 0.256 0.000 2.673 131 G HA2 0.506 4.486 3.960 0.033 0.000 0.292 131 G HA3 0.506 4.486 3.960 0.033 0.000 0.292 131 G C -1.649 173.420 174.900 0.280 0.000 1.450 131 G CA -0.605 44.619 45.100 0.206 0.000 0.837 131 G HN 0.512 nan 8.290 nan 0.000 0.505 132 S N -1.067 114.750 115.700 0.195 0.000 2.541 132 S HA 0.905 5.395 4.470 0.033 0.000 0.280 132 S C -0.167 174.461 174.600 0.047 0.000 1.112 132 S CA -0.157 58.219 58.200 0.294 0.000 0.925 132 S CB 1.812 65.287 63.200 0.459 0.000 1.067 132 S HN 1.645 nan 8.310 nan 0.000 0.479 133 A N 1.327 124.142 122.820 -0.009 0.000 2.527 133 A HA 1.035 5.374 4.320 0.033 0.000 0.293 133 A C -0.979 176.412 177.584 -0.321 0.000 1.117 133 A CA -0.733 51.064 52.037 -0.399 0.000 0.723 133 A CB 1.615 20.221 19.000 -0.656 0.000 1.313 133 A HN 1.422 nan 8.150 nan 0.000 0.411 134 A N 0.431 122.895 122.820 -0.592 0.000 2.612 134 A HA 0.707 5.047 4.320 0.033 0.000 0.293 134 A C -1.114 176.284 177.584 -0.311 0.000 1.075 134 A CA -0.657 51.207 52.037 -0.288 0.000 0.680 134 A CB 0.722 19.638 19.000 -0.140 0.000 1.279 134 A HN 0.876 nan 8.150 nan 0.000 0.411 135 H N -0.250 118.861 119.070 0.069 0.000 2.505 135 H HA 0.662 5.239 4.556 0.034 0.000 0.351 135 H C 0.660 175.992 175.328 0.006 0.000 1.151 135 H CA 1.066 57.200 56.048 0.143 0.000 1.339 135 H CB 1.770 31.601 29.762 0.116 0.000 1.483 135 H HN 1.142 nan 8.280 nan 0.000 0.558 136 G N 0.646 109.548 108.800 0.171 0.000 2.578 136 G HA2 0.374 4.354 3.960 0.033 0.000 0.302 136 G HA3 0.374 4.354 3.960 0.033 0.000 0.302 136 G C -1.998 173.050 174.900 0.246 0.000 1.243 136 G CA -0.644 44.524 45.100 0.113 0.000 0.843 136 G HN 0.627 nan 8.290 nan 0.000 0.486 137 Y N -1.896 118.442 120.300 0.064 0.000 2.625 137 Y HA 0.843 5.413 4.550 0.033 0.000 0.338 137 Y C -1.699 174.344 175.900 0.238 0.000 1.123 137 Y CA -1.890 56.297 58.100 0.144 0.000 1.046 137 Y CB 1.983 40.503 38.460 0.100 0.000 1.299 137 Y HN 0.796 nan 8.280 nan 0.000 0.464 138 F N 1.781 121.877 119.950 0.244 0.000 2.563 138 F HA 0.692 5.241 4.527 0.036 0.000 0.316 138 F C -1.281 174.731 175.800 0.354 0.000 1.076 138 F CA -0.625 57.526 58.000 0.253 0.000 0.921 138 F CB 2.430 41.712 39.000 0.471 0.000 1.209 138 F HN 0.776 nan 8.300 nan 0.000 0.462 139 Q N 6.394 125.676 119.800 -0.863 0.000 2.284 139 Q HA 0.478 4.837 4.340 0.033 0.000 0.269 139 Q C -2.875 172.547 176.000 -0.964 0.000 1.026 139 Q CA -2.334 53.134 55.803 -0.558 0.000 0.831 139 Q CB 2.917 31.609 28.738 -0.077 0.000 1.322 139 Q HN 0.332 nan 8.270 nan 0.000 0.419 140 P HA 0.020 nan 4.420 nan 0.000 0.272 140 P C -0.542 176.697 177.300 -0.101 0.000 1.240 140 P CA 0.217 63.114 63.100 -0.340 0.000 0.791 140 P CB 0.424 32.078 31.700 -0.077 0.000 0.978 141 Y N 0.175 120.419 120.300 -0.093 0.000 2.475 141 Y HA 0.012 4.582 4.550 0.034 0.000 0.289 141 Y C 1.283 177.160 175.900 -0.039 0.000 1.121 141 Y CA 0.082 58.149 58.100 -0.055 0.000 1.257 141 Y CB 0.382 38.817 38.460 -0.042 0.000 1.026 141 Y HN 0.349 nan 8.280 nan 0.000 0.555 142 K N -1.140 119.329 120.400 0.115 0.000 2.642 142 K HA 0.250 4.590 4.320 0.033 0.000 0.290 142 K C -1.171 175.442 176.600 0.020 0.000 1.006 142 K CA -0.847 55.475 56.287 0.059 0.000 0.869 142 K CB 1.202 33.738 32.500 0.059 0.000 1.499 142 K HN -0.242 nan 8.250 nan 0.000 0.403 143 S N 1.125 116.833 115.700 0.013 0.000 2.533 143 S HA 0.181 4.671 4.470 0.033 0.000 0.282 143 S C 0.470 175.063 174.600 -0.011 0.000 1.304 143 S CA -0.654 57.544 58.200 -0.003 0.000 1.063 143 S CB -0.164 63.037 63.200 0.001 0.000 0.881 143 S HN 0.531 nan 8.310 nan 0.000 0.493 144 L N 4.766 125.971 121.223 -0.029 0.000 2.791 144 L HA 0.155 4.514 4.340 0.033 0.000 0.239 144 L C 1.765 178.620 176.870 -0.025 0.000 1.203 144 L CA -0.200 54.628 54.840 -0.020 0.000 1.002 144 L CB -0.202 41.849 42.059 -0.014 0.000 1.295 144 L HN 0.614 nan 8.230 nan 0.000 0.504 145 S N -0.121 115.563 115.700 -0.026 0.000 2.440 145 S HA -0.167 4.322 4.470 0.033 0.000 0.238 145 S C 1.272 175.856 174.600 -0.026 0.000 1.010 145 S CA 1.152 59.334 58.200 -0.029 0.000 0.972 145 S CB -0.140 63.048 63.200 -0.021 0.000 0.774 145 S HN 0.484 nan 8.310 nan 0.000 0.501 146 D N 1.589 121.979 120.400 -0.017 0.000 2.219 146 D HA -0.027 4.633 4.640 0.033 0.000 0.205 146 D C 1.715 178.000 176.300 -0.025 0.000 0.970 146 D CA 0.886 54.876 54.000 -0.016 0.000 0.851 146 D CB -0.133 40.663 40.800 -0.007 0.000 0.943 146 D HN 0.668 nan 8.370 nan 0.000 0.488 147 I N -4.437 116.118 120.570 -0.024 0.000 4.312 147 I HA 0.229 4.418 4.170 0.033 0.000 0.324 147 I C 0.480 176.556 176.117 -0.067 0.000 1.298 147 I CA -0.034 61.243 61.300 -0.038 0.000 1.231 147 I CB 1.131 39.128 38.000 -0.005 0.000 1.152 147 I HN -0.253 nan 8.210 nan 0.000 0.421 148 T N 1.595 116.111 114.554 -0.062 0.000 2.956 148 T HA 0.314 4.683 4.350 0.033 0.000 0.312 148 T C -0.108 174.540 174.700 -0.087 0.000 1.151 148 T CA -0.714 61.329 62.100 -0.094 0.000 1.024 148 T CB 1.760 70.562 68.868 -0.111 0.000 1.140 148 T HN 0.421 nan 8.240 nan 0.000 0.473 149 K N 2.539 122.886 120.400 -0.088 0.000 2.437 149 K HA 0.562 4.902 4.320 0.033 0.000 0.198 149 K C 0.693 177.255 176.600 -0.064 0.000 1.024 149 K CA -0.335 55.912 56.287 -0.067 0.000 1.148 149 K CB 0.187 32.653 32.500 -0.056 0.000 0.860 149 K HN 0.496 nan 8.250 nan 0.000 0.515 150 A N 2.103 124.862 122.820 -0.102 0.000 2.545 150 A HA -0.056 4.283 4.320 0.033 0.000 0.253 150 A C 0.573 178.123 177.584 -0.057 0.000 1.074 150 A CA 0.122 52.108 52.037 -0.085 0.000 0.760 150 A CB 0.070 18.960 19.000 -0.184 0.000 1.005 150 A HN 0.521 nan 8.150 nan 0.000 0.506 151 D N 2.154 122.594 120.400 0.067 0.000 2.178 151 D HA -0.207 4.452 4.640 0.033 0.000 0.202 151 D C 1.313 177.691 176.300 0.130 0.000 0.974 151 D CA 2.032 56.084 54.000 0.087 0.000 0.841 151 D CB -0.226 40.646 40.800 0.120 0.000 0.953 151 D HN 0.725 nan 8.370 nan 0.000 0.478 152 F N -0.568 119.408 119.950 0.043 0.000 2.604 152 F HA 0.174 4.721 4.527 0.034 0.000 0.298 152 F C 0.990 176.884 175.800 0.157 0.000 1.131 152 F CA 0.348 58.417 58.000 0.114 0.000 1.457 152 F CB -0.210 38.861 39.000 0.118 0.000 1.095 152 F HN -0.069 nan 8.300 nan 0.000 0.574 153 L N 0.868 121.788 121.223 -0.506 0.000 2.818 153 L HA 0.200 4.560 4.340 0.033 0.000 0.243 153 L C 1.881 178.665 176.870 -0.144 0.000 1.185 153 L CA 0.294 54.903 54.840 -0.385 0.000 0.988 153 L CB -0.164 41.558 42.059 -0.562 0.000 1.292 153 L HN 0.309 nan 8.230 nan 0.000 0.519 154 S N -2.602 113.058 115.700 -0.066 0.000 2.501 154 S HA 0.051 4.541 4.470 0.033 0.000 0.220 154 S C 0.525 175.125 174.600 -0.001 0.000 0.997 154 S CA -0.101 58.083 58.200 -0.027 0.000 0.919 154 S CB 0.319 63.517 63.200 -0.003 0.000 0.778 154 S HN 0.382 nan 8.310 nan 0.000 0.523 155 D N 0.363 120.773 120.400 0.017 0.000 2.803 155 D HA 0.250 4.910 4.640 0.033 0.000 0.218 155 D C -2.617 173.703 176.300 0.034 0.000 1.245 155 D CA -1.554 52.462 54.000 0.027 0.000 0.821 155 D CB 2.325 43.147 40.800 0.036 0.000 1.626 155 D HN -0.171 nan 8.370 nan 0.000 0.487 156 P HA -0.085 nan 4.420 nan 0.000 0.222 156 P C 0.824 178.150 177.300 0.044 0.000 1.147 156 P CA 0.865 63.988 63.100 0.037 0.000 0.790 156 P CB -0.174 31.556 31.700 0.050 0.000 0.780 157 N N -0.559 118.169 118.700 0.047 0.000 2.521 157 N HA -0.076 4.684 4.740 0.033 0.000 0.188 157 N C 0.690 176.242 175.510 0.070 0.000 1.146 157 N CA -0.168 52.912 53.050 0.051 0.000 0.893 157 N CB -0.287 38.224 38.487 0.041 0.000 0.975 157 N HN -0.020 nan 8.380 nan 0.000 0.451 158 K N 1.501 121.955 120.400 0.090 0.000 2.310 158 K HA 0.267 4.606 4.320 0.033 0.000 0.290 158 K C -0.889 175.820 176.600 0.182 0.000 1.077 158 K CA -0.243 56.126 56.287 0.137 0.000 0.922 158 K CB 0.629 33.228 32.500 0.165 0.000 1.057 158 K HN 0.174 nan 8.250 nan 0.000 0.479 159 I N 3.707 124.383 120.570 0.176 0.000 2.315 159 I HA 0.141 4.330 4.170 0.033 0.000 0.291 159 I C -0.206 176.089 176.117 0.296 0.000 1.006 159 I CA -0.387 61.045 61.300 0.222 0.000 1.265 159 I CB 1.788 39.857 38.000 0.115 0.000 1.387 159 I HN 0.497 nan 8.210 nan 0.000 0.475 160 T N 7.610 122.430 114.554 0.443 0.000 2.772 160 T HA 0.345 4.715 4.350 0.033 0.000 0.288 160 T C -2.447 172.518 174.700 0.443 0.000 0.994 160 T CA -1.437 60.945 62.100 0.471 0.000 0.951 160 T CB 1.299 70.552 68.868 0.642 0.000 0.933 160 T HN 0.233 nan 8.240 nan 0.000 0.447 161 P HA 0.264 nan 4.420 nan 0.000 0.269 161 P C -0.607 176.937 177.300 0.407 0.000 1.209 161 P CA -0.434 62.863 63.100 0.327 0.000 0.776 161 P CB 0.535 32.347 31.700 0.188 0.000 0.876 162 V N -0.551 119.545 119.914 0.302 0.000 3.040 162 V HA 0.733 4.872 4.120 0.033 0.000 0.312 162 V C -1.308 174.951 176.094 0.274 0.000 1.115 162 V CA -0.941 61.433 62.300 0.124 0.000 0.998 162 V CB 2.241 33.912 31.823 -0.254 0.000 1.042 162 V HN 0.324 nan 8.190 nan 0.000 0.433 163 F N 2.139 122.074 119.950 -0.025 0.000 2.536 163 F HA 0.833 5.378 4.527 0.029 0.000 0.322 163 F C -0.847 174.852 175.800 -0.169 0.000 1.144 163 F CA -0.889 57.032 58.000 -0.132 0.000 0.924 163 F CB 1.875 40.831 39.000 -0.075 0.000 1.181 163 F HN 0.511 nan 8.300 nan 0.000 0.438 164 V N 6.734 126.155 119.914 -0.822 0.000 2.459 164 V HA 0.571 4.711 4.120 0.033 0.000 0.295 164 V C -0.570 174.825 176.094 -1.165 0.000 1.029 164 V CA -0.830 60.916 62.300 -0.924 0.000 0.874 164 V CB 1.872 33.085 31.823 -1.017 0.000 0.985 164 V HN 0.734 nan 8.190 nan 0.000 0.438 165 R N 3.709 123.524 120.500 -1.142 0.000 2.439 165 R HA 0.607 4.966 4.340 0.033 0.000 0.310 165 R C -1.639 174.047 176.300 -1.024 0.000 0.955 165 R CA -0.434 55.104 56.100 -0.936 0.000 0.853 165 R CB 1.130 31.066 30.300 -0.607 0.000 1.171 165 R HN 0.544 nan 8.270 nan 0.000 0.449 166 F N 1.909 121.442 119.950 -0.694 0.000 2.432 166 F HA 0.516 5.063 4.527 0.034 0.000 0.329 166 F C 0.454 175.908 175.800 -0.578 0.000 1.076 166 F CA -0.297 57.184 58.000 -0.864 0.000 1.018 166 F CB 2.148 40.113 39.000 -1.724 0.000 1.201 166 F HN 0.588 nan 8.300 nan 0.000 0.489 167 S N -1.038 114.596 115.700 -0.110 0.000 2.596 167 S HA 0.618 5.108 4.470 0.033 0.000 0.270 167 S C -0.498 174.240 174.600 0.229 0.000 1.155 167 S CA -0.852 57.422 58.200 0.123 0.000 0.827 167 S CB 1.322 64.643 63.200 0.203 0.000 1.130 167 S HN 0.748 nan 8.310 nan 0.000 0.467 168 T N -1.100 113.589 114.554 0.226 0.000 2.833 168 T HA 0.613 4.983 4.350 0.033 0.000 0.312 168 T C 0.873 175.537 174.700 -0.061 0.000 1.085 168 T CA 0.071 62.258 62.100 0.145 0.000 0.955 168 T CB 0.025 68.985 68.868 0.154 0.000 1.353 168 T HN 0.659 nan 8.240 nan 0.000 0.544 169 V N -0.204 119.639 119.914 -0.119 0.000 3.029 169 V HA 0.139 4.279 4.120 0.033 0.000 0.230 169 V C 2.714 178.742 176.094 -0.110 0.000 1.254 169 V CA 0.302 62.415 62.300 -0.313 0.000 1.276 169 V CB -0.235 31.472 31.823 -0.193 0.000 1.080 169 V HN 0.856 nan 8.190 nan 0.000 0.495 170 Q N 1.080 120.848 119.800 -0.053 0.000 2.089 170 Q HA 0.083 4.443 4.340 0.033 0.000 0.195 170 Q C 1.222 177.205 176.000 -0.029 0.000 0.963 170 Q CA 1.408 57.179 55.803 -0.053 0.000 0.834 170 Q CB -0.056 28.635 28.738 -0.078 0.000 0.906 170 Q HN 0.584 nan 8.270 nan 0.000 0.452 171 G N -0.250 108.546 108.800 -0.006 0.000 2.537 171 G HA2 0.442 4.421 3.960 0.033 0.000 0.273 171 G HA3 0.442 4.421 3.960 0.033 0.000 0.273 171 G C 0.103 175.015 174.900 0.020 0.000 1.189 171 G CA 0.006 45.106 45.100 -0.000 0.000 0.881 171 G HN 0.329 nan 8.290 nan 0.000 0.535 172 G N -1.092 107.715 108.800 0.012 0.000 2.712 172 G HA2 0.444 4.424 3.960 0.033 0.000 0.258 172 G HA3 0.444 4.424 3.960 0.033 0.000 0.258 172 G C 1.370 176.304 174.900 0.057 0.000 1.241 172 G CA 0.469 45.587 45.100 0.029 0.000 0.923 172 G HN 1.097 nan 8.290 nan 0.000 0.548 173 A N -0.847 122.017 122.820 0.073 0.000 2.067 173 A HA 0.165 4.505 4.320 0.033 0.000 0.219 173 A C 2.183 179.811 177.584 0.073 0.000 1.158 173 A CA 1.875 53.975 52.037 0.105 0.000 0.661 173 A CB -0.286 18.794 19.000 0.133 0.000 0.801 173 A HN 1.141 nan 8.150 nan 0.000 0.452 174 G N -0.080 108.744 108.800 0.039 0.000 3.434 174 G HA2 0.349 4.329 3.960 0.033 0.000 0.258 174 G HA3 0.349 4.329 3.960 0.033 0.000 0.258 174 G C 0.639 175.544 174.900 0.009 0.000 1.128 174 G CA 0.624 45.732 45.100 0.013 0.000 0.792 174 G HN 0.616 nan 8.290 nan 0.000 0.539 175 S N -0.245 115.469 115.700 0.023 0.000 2.661 175 S HA 0.762 5.252 4.470 0.033 0.000 0.265 175 S C 0.436 175.054 174.600 0.029 0.000 1.225 175 S CA -0.127 58.083 58.200 0.016 0.000 0.986 175 S CB 1.599 64.810 63.200 0.018 0.000 1.008 175 S HN 0.544 nan 8.310 nan 0.000 0.565 176 A N -0.006 122.827 122.820 0.022 0.000 2.302 176 A HA 0.480 4.819 4.320 0.033 0.000 0.285 176 A C 0.517 178.127 177.584 0.044 0.000 1.105 176 A CA -0.612 51.435 52.037 0.017 0.000 0.816 176 A CB 0.030 19.022 19.000 -0.014 0.000 1.067 176 A HN 0.843 nan 8.150 nan 0.000 0.489 177 D N 0.397 120.813 120.400 0.026 0.000 2.110 177 D HA -0.056 4.604 4.640 0.033 0.000 0.202 177 D C 1.612 177.912 176.300 -0.000 0.000 0.975 177 D CA 2.273 56.305 54.000 0.055 0.000 0.839 177 D CB -0.262 40.526 40.800 -0.020 0.000 0.996 177 D HN 0.667 nan 8.370 nan 0.000 0.464 178 T N 0.110 114.578 114.554 -0.144 0.000 3.418 178 T HA 0.279 4.648 4.350 0.033 0.000 0.239 178 T C 0.855 175.551 174.700 -0.006 0.000 0.905 178 T CA -0.551 61.465 62.100 -0.139 0.000 0.929 178 T CB -1.053 67.651 68.868 -0.273 0.000 1.121 178 T HN -0.083 nan 8.240 nan 0.000 0.608 179 V N -1.337 118.623 119.914 0.077 0.000 3.319 179 V HA 0.427 4.566 4.120 0.033 0.000 0.303 179 V C 0.751 176.992 176.094 0.246 0.000 1.094 179 V CA -1.441 60.951 62.300 0.153 0.000 1.106 179 V CB 0.413 32.313 31.823 0.129 0.000 1.099 179 V HN 0.554 nan 8.190 nan 0.000 0.476 180 R N 1.524 122.222 120.500 0.329 0.000 2.210 180 R HA 0.455 4.815 4.340 0.033 0.000 0.338 180 R C -1.053 175.320 176.300 0.122 0.000 1.062 180 R CA -0.083 56.150 56.100 0.221 0.000 0.902 180 R CB 0.075 30.425 30.300 0.083 0.000 1.050 180 R HN 1.048 nan 8.270 nan 0.000 0.461 181 D N 3.368 123.853 120.400 0.140 0.000 2.671 181 D HA 0.199 4.859 4.640 0.033 0.000 0.273 181 D C -0.575 175.829 176.300 0.173 0.000 1.264 181 D CA -0.624 53.449 54.000 0.121 0.000 0.788 181 D CB 1.296 42.161 40.800 0.109 0.000 1.324 181 D HN 0.224 nan 8.370 nan 0.000 0.424 182 I N 1.409 122.097 120.570 0.196 0.000 2.779 182 I HA 0.227 4.417 4.170 0.033 0.000 0.285 182 I C 0.893 177.137 176.117 0.212 0.000 1.134 182 I CA -0.056 61.371 61.300 0.213 0.000 1.398 182 I CB 0.024 38.179 38.000 0.259 0.000 1.404 182 I HN 0.229 nan 8.210 nan 0.000 0.587 183 R N 2.861 123.510 120.500 0.249 0.000 2.589 183 R HA 0.570 4.929 4.340 0.033 0.000 0.293 183 R C 0.007 176.493 176.300 0.311 0.000 0.963 183 R CA -0.740 55.524 56.100 0.274 0.000 0.905 183 R CB 1.461 31.945 30.300 0.306 0.000 1.144 183 R HN 0.809 nan 8.270 nan 0.000 0.459 184 G N 0.775 109.783 108.800 0.347 0.000 2.476 184 G HA2 0.470 4.449 3.960 0.033 0.000 0.286 184 G HA3 0.470 4.449 3.960 0.033 0.000 0.286 184 G C -1.280 173.720 174.900 0.166 0.000 1.177 184 G CA -0.043 45.248 45.100 0.318 0.000 0.870 184 G HN 0.357 nan 8.290 nan 0.000 0.528 185 F N 1.435 121.299 119.950 -0.143 0.000 3.034 185 F HA 0.629 5.174 4.527 0.030 0.000 0.371 185 F C -0.296 175.210 175.800 -0.490 0.000 1.233 185 F CA -1.759 56.046 58.000 -0.326 0.000 1.134 185 F CB 0.990 39.920 39.000 -0.118 0.000 1.495 185 F HN 0.683 nan 8.300 nan 0.000 0.563 186 A N 3.424 125.970 122.820 -0.457 0.000 2.318 186 A HA 0.818 5.158 4.320 0.033 0.000 0.324 186 A C -0.667 176.467 177.584 -0.749 0.000 1.170 186 A CA -0.465 51.140 52.037 -0.721 0.000 0.810 186 A CB 0.964 19.147 19.000 -1.361 0.000 1.198 186 A HN 0.555 nan 8.150 nan 0.000 0.484 187 T N 2.140 116.414 114.554 -0.467 0.000 2.841 187 T HA 0.398 4.768 4.350 0.033 0.000 0.285 187 T C -0.419 174.089 174.700 -0.319 0.000 0.991 187 T CA -0.505 61.325 62.100 -0.451 0.000 0.966 187 T CB 1.159 69.667 68.868 -0.599 0.000 0.962 187 T HN 0.634 nan 8.240 nan 0.000 0.438 188 K N 3.584 123.877 120.400 -0.177 0.000 2.281 188 K HA 0.430 4.769 4.320 0.033 0.000 0.272 188 K C -1.234 175.032 176.600 -0.558 0.000 1.048 188 K CA -0.586 55.500 56.287 -0.335 0.000 0.898 188 K CB 0.256 32.485 32.500 -0.452 0.000 1.128 188 K HN 0.401 nan 8.250 nan 0.000 0.460 189 F N 4.245 123.898 119.950 -0.495 0.000 2.404 189 F HA 0.211 4.756 4.527 0.030 0.000 0.358 189 F C -0.312 175.280 175.800 -0.347 0.000 1.120 189 F CA -0.519 57.252 58.000 -0.382 0.000 1.144 189 F CB 0.593 39.265 39.000 -0.547 0.000 1.133 189 F HN 0.444 nan 8.300 nan 0.000 0.495 190 Y N 1.884 122.243 120.300 0.099 0.000 2.632 190 Y HA 0.204 4.775 4.550 0.035 0.000 0.336 190 Y C 1.051 177.010 175.900 0.098 0.000 1.237 190 Y CA -0.898 57.244 58.100 0.070 0.000 1.595 190 Y CB -0.301 38.190 38.460 0.051 0.000 1.508 190 Y HN 0.539 nan 8.280 nan 0.000 0.480 191 T N -2.518 112.139 114.554 0.170 0.000 2.849 191 T HA 0.151 4.520 4.350 0.033 0.000 0.284 191 T C 0.991 175.789 174.700 0.164 0.000 1.004 191 T CA -0.691 61.511 62.100 0.170 0.000 1.021 191 T CB 1.084 70.023 68.868 0.118 0.000 1.013 191 T HN 0.648 nan 8.240 nan 0.000 0.527 192 E N 0.051 120.351 120.200 0.168 0.000 2.418 192 E HA -0.043 4.326 4.350 0.033 0.000 0.197 192 E C 1.064 177.733 176.600 0.116 0.000 1.026 192 E CA 0.688 57.168 56.400 0.133 0.000 0.862 192 E CB 0.124 29.899 29.700 0.126 0.000 0.799 192 E HN 0.730 nan 8.360 nan 0.000 0.518 193 E N -0.007 120.265 120.200 0.119 0.000 2.624 193 E HA 0.256 4.625 4.350 0.033 0.000 0.210 193 E C 0.095 176.746 176.600 0.086 0.000 0.997 193 E CA -0.227 56.235 56.400 0.103 0.000 0.999 193 E CB 1.396 31.159 29.700 0.105 0.000 1.040 193 E HN 0.167 nan 8.360 nan 0.000 0.469 194 G N 1.204 110.051 108.800 0.079 0.000 2.362 194 G HA2 -0.086 3.894 3.960 0.033 0.000 0.656 194 G HA3 -0.086 3.894 3.960 0.033 0.000 0.656 194 G C -0.895 174.022 174.900 0.028 0.000 1.376 194 G CA -1.133 43.992 45.100 0.041 0.000 0.971 194 G HN 0.015 nan 8.290 nan 0.000 0.636 195 I N 0.921 121.475 120.570 -0.028 0.000 2.598 195 I HA 0.264 4.453 4.170 0.033 0.000 0.284 195 I C 0.113 176.250 176.117 0.034 0.000 1.140 195 I CA 0.241 61.496 61.300 -0.075 0.000 1.420 195 I CB 0.379 38.265 38.000 -0.190 0.000 1.387 195 I HN 0.442 nan 8.210 nan 0.000 0.553 196 F N 7.188 127.045 119.950 -0.156 0.000 2.427 196 F HA 0.447 4.993 4.527 0.031 0.000 0.348 196 F C -0.521 175.252 175.800 -0.045 0.000 1.125 196 F CA -1.355 56.556 58.000 -0.149 0.000 0.989 196 F CB 0.745 39.509 39.000 -0.392 0.000 1.165 196 F HN 0.350 nan 8.300 nan 0.000 0.442 197 D N 6.493 126.767 120.400 -0.210 0.000 2.280 197 D HA 0.266 4.925 4.640 0.033 0.000 0.236 197 D C -1.023 174.854 176.300 -0.704 0.000 1.082 197 D CA -0.138 53.648 54.000 -0.358 0.000 0.834 197 D CB 2.239 43.012 40.800 -0.045 0.000 1.100 197 D HN 0.477 nan 8.370 nan 0.000 0.486 198 L N 3.859 124.602 121.223 -0.800 0.000 2.283 198 L HA 0.291 4.651 4.340 0.033 0.000 0.281 198 L C -1.092 175.551 176.870 -0.378 0.000 1.033 198 L CA -0.645 53.789 54.840 -0.677 0.000 0.848 198 L CB 1.144 42.795 42.059 -0.679 0.000 1.226 198 L HN 0.088 nan 8.230 nan 0.000 0.429 199 V N 5.950 125.682 119.914 -0.302 0.000 2.257 199 V HA 0.720 4.859 4.120 0.033 0.000 0.269 199 V C 0.759 176.750 176.094 -0.172 0.000 1.040 199 V CA -0.105 62.023 62.300 -0.286 0.000 0.813 199 V CB 0.383 31.986 31.823 -0.366 0.000 1.065 199 V HN 0.847 nan 8.190 nan 0.000 0.457 200 G N 3.088 111.801 108.800 -0.145 0.000 2.735 200 G HA2 0.679 4.659 3.960 0.033 0.000 0.301 200 G HA3 0.679 4.659 3.960 0.033 0.000 0.301 200 G C -0.889 174.039 174.900 0.046 0.000 1.279 200 G CA -0.571 44.501 45.100 -0.046 0.000 1.019 200 G HN 0.467 nan 8.290 nan 0.000 0.497 201 N N -1.120 117.652 118.700 0.120 0.000 2.966 201 N HA 0.250 5.010 4.740 0.033 0.000 0.314 201 N C 0.270 175.957 175.510 0.296 0.000 1.397 201 N CA -0.730 52.452 53.050 0.220 0.000 0.776 201 N CB 1.318 39.926 38.487 0.203 0.000 1.576 201 N HN 0.529 nan 8.380 nan 0.000 0.592 202 N N -1.241 117.653 118.700 0.322 0.000 2.276 202 N HA 0.011 4.770 4.740 0.033 0.000 0.212 202 N C -0.578 175.195 175.510 0.439 0.000 1.127 202 N CA -0.131 53.161 53.050 0.404 0.000 0.834 202 N CB -0.190 38.513 38.487 0.360 0.000 1.014 202 N HN 0.532 nan 8.380 nan 0.000 0.491 203 T N -3.737 110.909 114.554 0.153 0.000 2.906 203 T HA 0.465 4.835 4.350 0.033 0.000 0.295 203 T C -2.635 171.461 174.700 -1.005 0.000 1.061 203 T CA -1.590 60.153 62.100 -0.596 0.000 1.000 203 T CB 2.927 71.332 68.868 -0.773 0.000 1.103 203 T HN -0.222 nan 8.240 nan 0.000 0.486 204 P HA 0.211 nan 4.420 nan 0.000 0.249 204 P C 0.305 177.083 177.300 -0.871 0.000 1.229 204 P CA 0.036 62.239 63.100 -1.495 0.000 0.788 204 P CB -0.094 30.647 31.700 -1.598 0.000 1.072 205 I N -4.564 115.474 120.570 -0.886 0.000 3.354 205 I HA 0.550 4.740 4.170 0.033 0.000 0.316 205 I C -1.386 174.466 176.117 -0.441 0.000 1.182 205 I CA -1.990 58.945 61.300 -0.609 0.000 0.942 205 I CB 1.284 38.885 38.000 -0.666 0.000 1.299 205 I HN -0.244 nan 8.210 nan 0.000 0.473 206 F N 0.231 119.897 119.950 -0.472 0.000 2.631 206 F HA 0.529 5.081 4.527 0.042 0.000 0.350 206 F C 0.403 175.954 175.800 -0.414 0.000 1.080 206 F CA -0.701 57.053 58.000 -0.411 0.000 1.026 206 F CB 1.872 40.761 39.000 -0.185 0.000 1.347 206 F HN 0.371 nan 8.300 nan 0.000 0.501 207 F N 1.932 121.061 119.950 -1.368 0.000 2.259 207 F HA 0.062 4.607 4.527 0.029 0.000 0.298 207 F C 0.680 176.206 175.800 -0.458 0.000 1.088 207 F CA 0.759 58.175 58.000 -0.973 0.000 1.358 207 F CB -0.100 37.927 39.000 -1.622 0.000 1.040 207 F HN 0.118 nan 8.300 nan 0.000 0.505 208 I N -3.184 117.411 120.570 0.041 0.000 3.002 208 I HA 0.368 4.557 4.170 0.033 0.000 0.310 208 I C 0.395 176.678 176.117 0.276 0.000 1.087 208 I CA -0.838 60.584 61.300 0.204 0.000 1.017 208 I CB 1.905 40.083 38.000 0.296 0.000 1.226 208 I HN -0.138 nan 8.210 nan 0.000 0.443 209 Q N 0.460 120.409 119.800 0.248 0.000 2.259 209 Q HA 0.111 4.471 4.340 0.033 0.000 0.201 209 Q C -0.257 175.916 176.000 0.289 0.000 0.938 209 Q CA 0.769 56.749 55.803 0.296 0.000 0.872 209 Q CB 0.419 29.392 28.738 0.391 0.000 0.971 209 Q HN 0.649 nan 8.270 nan 0.000 0.494 210 D N -1.148 119.398 120.400 0.243 0.000 2.505 210 D HA 0.294 4.954 4.640 0.033 0.000 0.249 210 D C 0.054 176.480 176.300 0.209 0.000 1.082 210 D CA -0.195 53.919 54.000 0.190 0.000 0.839 210 D CB 1.804 42.694 40.800 0.149 0.000 1.317 210 D HN 0.054 nan 8.370 nan 0.000 0.497 211 A N 3.460 126.372 122.820 0.154 0.000 2.032 211 A HA -0.264 4.075 4.320 0.033 0.000 0.221 211 A C 1.787 179.486 177.584 0.192 0.000 1.165 211 A CA 1.828 53.947 52.037 0.138 0.000 0.645 211 A CB -0.773 18.254 19.000 0.045 0.000 0.807 211 A HN 0.812 nan 8.150 nan 0.000 0.453 212 H N -0.036 119.093 119.070 0.098 0.000 2.456 212 H HA 0.009 4.586 4.556 0.036 0.000 0.296 212 H C 1.607 177.014 175.328 0.131 0.000 1.079 212 H CA 1.843 57.942 56.048 0.085 0.000 1.322 212 H CB 0.017 29.807 29.762 0.047 0.000 1.388 212 H HN 0.434 nan 8.280 nan 0.000 0.538 213 K N -0.588 119.928 120.400 0.193 0.000 2.487 213 K HA -0.049 4.291 4.320 0.033 0.000 0.192 213 K C 1.392 178.123 176.600 0.219 0.000 1.027 213 K CA 0.089 56.490 56.287 0.190 0.000 1.054 213 K CB 0.022 32.692 32.500 0.283 0.000 0.824 213 K HN 0.295 nan 8.250 nan 0.000 0.510 214 F N 2.806 122.801 119.950 0.076 0.000 2.134 214 F HA -0.121 4.413 4.527 0.012 0.000 0.299 214 F C -1.046 174.767 175.800 0.023 0.000 1.097 214 F CA 1.197 59.270 58.000 0.121 0.000 1.264 214 F CB -0.400 38.653 39.000 0.089 0.000 1.001 214 F HN 0.012 nan 8.300 nan 0.000 0.479 215 P HA -0.121 nan 4.420 nan 0.000 0.220 215 P C 0.957 177.933 177.300 -0.541 0.000 1.148 215 P CA 1.575 64.446 63.100 -0.383 0.000 0.803 215 P CB -0.040 31.450 31.700 -0.349 0.000 0.782 216 D N -1.211 119.022 120.400 -0.279 0.000 2.084 216 D HA -0.151 4.509 4.640 0.033 0.000 0.196 216 D C 1.781 177.801 176.300 -0.466 0.000 0.985 216 D CA 1.057 54.930 54.000 -0.212 0.000 0.826 216 D CB -0.869 39.976 40.800 0.075 0.000 0.978 216 D HN 0.161 nan 8.370 nan 0.000 0.456 217 F N 1.758 121.303 119.950 -0.674 0.000 2.102 217 F HA -0.219 4.321 4.527 0.022 0.000 0.298 217 F C 2.269 177.683 175.800 -0.644 0.000 1.105 217 F CA 1.117 58.519 58.000 -0.997 0.000 1.239 217 F CB -0.176 38.468 39.000 -0.593 0.000 0.991 217 F HN -0.250 nan 8.300 nan 0.000 0.474 218 V N 0.408 119.919 119.914 -0.672 0.000 2.343 218 V HA -0.346 3.793 4.120 0.033 0.000 0.247 218 V C 2.281 178.164 176.094 -0.353 0.000 1.051 218 V CA 2.461 64.398 62.300 -0.605 0.000 1.036 218 V CB -1.038 30.452 31.823 -0.555 0.000 0.654 218 V HN 0.475 nan 8.190 nan 0.000 0.451 219 H N -0.320 118.532 119.070 -0.363 0.000 2.387 219 H HA -0.168 4.409 4.556 0.035 0.000 0.299 219 H C 2.313 177.496 175.328 -0.242 0.000 1.099 219 H CA 1.094 57.003 56.048 -0.233 0.000 1.315 219 H CB 0.027 29.700 29.762 -0.149 0.000 1.380 219 H HN 0.497 nan 8.280 nan 0.000 0.513 220 A N 0.418 123.071 122.820 -0.279 0.000 1.898 220 A HA -0.112 4.228 4.320 0.033 0.000 0.216 220 A C 2.527 179.958 177.584 -0.255 0.000 1.181 220 A CA 1.373 53.238 52.037 -0.286 0.000 0.620 220 A CB -0.751 17.950 19.000 -0.499 0.000 0.819 220 A HN 0.298 nan 8.150 nan 0.000 0.442 221 V N -0.110 119.514 119.914 -0.483 0.000 2.591 221 V HA -0.024 4.116 4.120 0.033 0.000 0.249 221 V C 1.015 177.071 176.094 -0.065 0.000 1.053 221 V CA 0.980 63.065 62.300 -0.358 0.000 1.068 221 V CB -0.484 30.922 31.823 -0.694 0.000 0.689 221 V HN 0.350 nan 8.190 nan 0.000 0.462 222 K N 0.729 121.064 120.400 -0.109 0.000 2.156 222 K HA 0.227 4.567 4.320 0.033 0.000 0.242 222 K C -2.267 174.294 176.600 -0.065 0.000 1.033 222 K CA -1.565 54.676 56.287 -0.076 0.000 0.878 222 K CB -0.268 32.178 32.500 -0.089 0.000 1.057 222 K HN 0.160 nan 8.250 nan 0.000 0.505 223 P HA -0.000 nan 4.420 nan 0.000 0.266 223 P C -0.578 176.661 177.300 -0.102 0.000 1.195 223 P CA 0.366 63.337 63.100 -0.216 0.000 0.768 223 P CB 0.414 31.994 31.700 -0.200 0.000 0.838 224 E N 4.828 125.008 120.200 -0.034 0.000 2.383 224 E HA 0.016 4.386 4.350 0.033 0.000 0.264 224 E C -1.305 175.360 176.600 0.108 0.000 1.050 224 E CA -1.335 55.147 56.400 0.137 0.000 0.896 224 E CB 0.157 30.062 29.700 0.342 0.000 0.982 224 E HN 0.420 nan 8.360 nan 0.000 0.424 225 P HA -0.179 nan 4.420 nan 0.000 0.225 225 P C 0.982 178.348 177.300 0.110 0.000 1.156 225 P CA 1.253 64.390 63.100 0.063 0.000 0.787 225 P CB 0.062 31.778 31.700 0.027 0.000 0.802 226 H N -0.433 118.684 119.070 0.077 0.000 2.299 226 H HA -0.098 4.477 4.556 0.032 0.000 0.302 226 H C 1.454 176.892 175.328 0.183 0.000 1.078 226 H CA 1.588 57.673 56.048 0.062 0.000 1.323 226 H CB -1.379 28.352 29.762 -0.051 0.000 1.381 226 H HN 0.306 nan 8.280 nan 0.000 0.498 227 W N -0.105 120.838 121.300 -0.595 0.000 2.870 227 W HA 0.694 5.372 4.660 0.030 0.000 0.358 227 W C 0.452 176.807 176.519 -0.274 0.000 1.043 227 W CA -0.967 56.154 57.345 -0.373 0.000 1.692 227 W CB -0.704 28.508 29.460 -0.412 0.000 1.100 227 W HN 0.468 nan 8.180 nan 0.000 0.557 228 A N 1.302 124.078 122.820 -0.073 0.000 2.667 228 A HA -0.141 4.199 4.320 0.033 0.000 0.298 228 A C -0.438 176.901 177.584 -0.408 0.000 1.483 228 A CA 1.412 53.335 52.037 -0.191 0.000 0.738 228 A CB -2.417 16.503 19.000 -0.133 0.000 1.067 228 A HN 0.459 nan 8.150 nan 0.000 0.451 229 I N 0.370 120.554 120.570 -0.643 0.000 2.730 229 I HA 0.578 4.768 4.170 0.033 0.000 0.298 229 I C -2.460 173.356 176.117 -0.501 0.000 1.089 229 I CA -2.434 58.406 61.300 -0.766 0.000 1.041 229 I CB 2.948 40.036 38.000 -1.520 0.000 1.235 229 I HN 0.209 nan 8.210 nan 0.000 0.423 230 P HA 0.323 nan 4.420 nan 0.000 0.289 230 P C -1.631 175.512 177.300 -0.262 0.000 1.293 230 P CA -0.871 62.016 63.100 -0.355 0.000 0.897 230 P CB 1.602 33.169 31.700 -0.223 0.000 1.166 231 Q N 0.503 120.194 119.800 -0.182 0.000 2.267 231 Q HA 0.497 4.856 4.340 0.033 0.000 0.255 231 Q C 1.069 177.032 176.000 -0.061 0.000 0.923 231 Q CA 0.980 56.712 55.803 -0.120 0.000 0.925 231 Q CB -0.248 28.428 28.738 -0.103 0.000 1.195 231 Q HN 0.823 nan 8.270 nan 0.000 0.417 232 G N 3.130 111.904 108.800 -0.042 0.000 2.153 232 G HA2 -0.281 3.698 3.960 0.033 0.000 0.252 232 G HA3 -0.281 3.698 3.960 0.033 0.000 0.252 232 G C -0.333 174.583 174.900 0.026 0.000 0.994 232 G CA 0.443 45.544 45.100 0.002 0.000 0.698 232 G HN 0.541 nan 8.290 nan 0.000 0.521 233 Q N -0.877 118.926 119.800 0.006 0.000 2.315 233 Q HA 0.553 4.913 4.340 0.033 0.000 0.273 233 Q C 0.798 176.812 176.000 0.023 0.000 1.053 233 Q CA -0.099 55.735 55.803 0.051 0.000 0.817 233 Q CB 1.801 30.610 28.738 0.118 0.000 1.326 233 Q HN 0.444 nan 8.270 nan 0.000 0.423 234 S N -0.430 115.178 115.700 -0.153 0.000 2.593 234 S HA 0.174 4.664 4.470 0.033 0.000 0.217 234 S C 0.877 175.409 174.600 -0.114 0.000 0.966 234 S CA 0.018 57.901 58.200 -0.528 0.000 0.914 234 S CB 0.279 62.662 63.200 -1.362 0.000 0.776 234 S HN 0.583 nan 8.310 nan 0.000 0.523 235 A N 2.272 125.235 122.820 0.239 0.000 3.063 235 A HA 0.533 4.873 4.320 0.033 0.000 0.263 235 A C 0.089 177.926 177.584 0.421 0.000 1.736 235 A CA -0.641 51.623 52.037 0.379 0.000 1.408 235 A CB -1.165 18.009 19.000 0.289 0.000 1.108 235 A HN 0.891 nan 8.150 nan 0.000 0.621 236 H N -3.589 115.683 119.070 0.336 0.000 3.017 236 H HA 0.522 5.096 4.556 0.030 0.000 0.346 236 H C -0.282 175.250 175.328 0.340 0.000 1.286 236 H CA -0.768 55.444 56.048 0.274 0.000 1.120 236 H CB 0.375 30.254 29.762 0.195 0.000 1.860 236 H HN 0.062 nan 8.280 nan 0.000 0.542 237 D N 0.257 120.844 120.400 0.312 0.000 2.116 237 D HA -0.196 4.464 4.640 0.033 0.000 0.193 237 D C 2.094 178.473 176.300 0.130 0.000 0.998 237 D CA 3.048 57.164 54.000 0.193 0.000 0.836 237 D CB -0.355 40.527 40.800 0.137 0.000 0.951 237 D HN 0.789 nan 8.370 nan 0.000 0.449 238 T N -1.820 112.811 114.554 0.129 0.000 2.915 238 T HA -0.161 4.208 4.350 0.033 0.000 0.269 238 T C 1.870 176.527 174.700 -0.072 0.000 1.071 238 T CA 0.524 62.661 62.100 0.062 0.000 1.132 238 T CB -0.583 68.363 68.868 0.129 0.000 0.878 238 T HN 0.162 nan 8.240 nan 0.000 0.479 239 F N 0.657 120.327 119.950 -0.466 0.000 2.098 239 F HA 0.148 4.692 4.527 0.029 0.000 0.294 239 F C 1.813 177.358 175.800 -0.424 0.000 1.107 239 F CA 0.455 58.089 58.000 -0.611 0.000 1.234 239 F CB -0.547 37.879 39.000 -0.957 0.000 1.002 239 F HN 0.128 nan 8.300 nan 0.000 0.472 240 W N 0.735 121.980 121.300 -0.092 0.000 2.425 240 W HA -0.100 4.583 4.660 0.039 0.000 0.277 240 W C 2.270 178.714 176.519 -0.125 0.000 1.231 240 W CA 0.993 58.270 57.345 -0.113 0.000 1.248 240 W CB -0.539 28.935 29.460 0.025 0.000 1.117 240 W HN 0.092 nan 8.180 nan 0.000 0.568 241 D N -0.556 119.896 120.400 0.086 0.000 2.084 241 D HA -0.296 4.363 4.640 0.033 0.000 0.194 241 D C 1.886 178.193 176.300 0.011 0.000 0.990 241 D CA 1.539 55.569 54.000 0.049 0.000 0.826 241 D CB -0.609 40.228 40.800 0.061 0.000 0.971 241 D HN 0.185 nan 8.370 nan 0.000 0.453 242 Y N 0.455 120.654 120.300 -0.169 0.000 2.128 242 Y HA -0.222 4.350 4.550 0.036 0.000 0.284 242 Y C 2.292 178.060 175.900 -0.220 0.000 1.154 242 Y CA 1.645 59.632 58.100 -0.190 0.000 1.149 242 Y CB -0.446 37.860 38.460 -0.256 0.000 0.976 242 Y HN -0.100 nan 8.280 nan 0.000 0.505 243 V N 0.120 119.914 119.914 -0.201 0.000 2.332 243 V HA -0.349 3.791 4.120 0.033 0.000 0.248 243 V C 2.600 178.641 176.094 -0.088 0.000 1.055 243 V CA 2.253 64.427 62.300 -0.211 0.000 1.038 243 V CB -1.238 30.349 31.823 -0.394 0.000 0.651 243 V HN 0.673 nan 8.190 nan 0.000 0.450 244 S N -0.376 115.319 115.700 -0.008 0.000 2.442 244 S HA -0.057 4.432 4.470 0.033 0.000 0.236 244 S C 1.647 176.217 174.600 -0.049 0.000 1.007 244 S CA 1.347 59.561 58.200 0.023 0.000 0.965 244 S CB -0.424 62.816 63.200 0.068 0.000 0.773 244 S HN 0.570 nan 8.310 nan 0.000 0.504 245 L N -0.086 121.058 121.223 -0.131 0.000 2.640 245 L HA 0.347 4.706 4.340 0.033 0.000 0.230 245 L C 0.430 177.131 176.870 -0.281 0.000 1.123 245 L CA 0.043 54.779 54.840 -0.173 0.000 0.900 245 L CB 0.109 42.070 42.059 -0.164 0.000 1.146 245 L HN 0.240 nan 8.230 nan 0.000 0.484 246 Q N 0.400 119.991 119.800 -0.347 0.000 3.090 246 Q HA 0.234 4.594 4.340 0.033 0.000 0.241 246 Q C -1.999 173.782 176.000 -0.366 0.000 0.958 246 Q CA -1.369 54.184 55.803 -0.418 0.000 0.715 246 Q CB 1.629 29.998 28.738 -0.615 0.000 1.298 246 Q HN -0.016 nan 8.270 nan 0.000 0.468 247 P HA -0.205 nan 4.420 nan 0.000 0.225 247 P C 1.030 178.005 177.300 -0.542 0.000 1.148 247 P CA 1.006 63.853 63.100 -0.421 0.000 0.779 247 P CB 0.264 31.705 31.700 -0.432 0.000 0.780 248 E N 0.845 120.566 120.200 -0.798 0.000 2.233 248 E HA -0.223 4.147 4.350 0.033 0.000 0.199 248 E C 1.440 177.981 176.600 -0.099 0.000 1.004 248 E CA 2.045 58.249 56.400 -0.327 0.000 0.819 248 E CB -1.495 28.115 29.700 -0.150 0.000 0.738 248 E HN 0.300 nan 8.360 nan 0.000 0.478 249 T N -0.647 113.852 114.554 -0.091 0.000 3.051 249 T HA -0.006 4.363 4.350 0.033 0.000 0.269 249 T C 1.930 176.687 174.700 0.094 0.000 1.127 249 T CA 0.588 62.704 62.100 0.027 0.000 1.107 249 T CB -0.283 68.624 68.868 0.067 0.000 0.898 249 T HN 0.160 nan 8.240 nan 0.000 0.517 250 L N -0.190 121.091 121.223 0.097 0.000 2.156 250 L HA 0.011 4.371 4.340 0.033 0.000 0.208 250 L C 2.836 179.865 176.870 0.265 0.000 1.095 250 L CA 1.409 56.377 54.840 0.215 0.000 0.770 250 L CB -0.677 41.523 42.059 0.235 0.000 0.914 250 L HN 0.468 nan 8.230 nan 0.000 0.439 251 H N 0.050 119.157 119.070 0.062 0.000 2.321 251 H HA -0.191 4.385 4.556 0.033 0.000 0.300 251 H C 2.098 177.411 175.328 -0.025 0.000 1.087 251 H CA 1.710 57.792 56.048 0.057 0.000 1.319 251 H CB 0.285 30.048 29.762 0.001 0.000 1.379 251 H HN 0.360 nan 8.280 nan 0.000 0.501 252 N N -0.088 118.414 118.700 -0.330 0.000 2.331 252 N HA -0.120 4.640 4.740 0.033 0.000 0.180 252 N C 1.932 177.235 175.510 -0.346 0.000 1.019 252 N CA 0.653 53.274 53.050 -0.715 0.000 0.881 252 N CB 0.309 37.894 38.487 -1.503 0.000 0.972 252 N HN 0.119 nan 8.380 nan 0.000 0.435 253 V N 1.739 121.686 119.914 0.055 0.000 2.332 253 V HA -0.263 3.876 4.120 0.033 0.000 0.248 253 V C 2.514 178.731 176.094 0.206 0.000 1.055 253 V CA 1.263 63.753 62.300 0.317 0.000 1.038 253 V CB -0.378 31.691 31.823 0.410 0.000 0.651 253 V HN 0.398 nan 8.190 nan 0.000 0.450 254 M N -1.524 118.232 119.600 0.260 0.000 2.082 254 M HA -0.233 4.267 4.480 0.033 0.000 0.258 254 M C 2.067 178.344 176.300 -0.039 0.000 1.069 254 M CA 1.993 57.436 55.300 0.239 0.000 1.102 254 M CB -1.328 31.448 32.600 0.294 0.000 1.336 254 M HN 0.468 nan 8.290 nan 0.000 0.404 255 W N 0.518 121.528 121.300 -0.483 0.000 2.333 255 W HA -0.134 4.548 4.660 0.037 0.000 0.316 255 W C 2.869 179.310 176.519 -0.131 0.000 1.215 255 W CA 2.069 59.124 57.345 -0.482 0.000 1.278 255 W CB -1.215 27.892 29.460 -0.588 0.000 1.154 255 W HN 0.317 nan 8.180 nan 0.000 0.486 256 A N -0.538 122.349 122.820 0.112 0.000 1.908 256 A HA -0.228 4.111 4.320 0.033 0.000 0.218 256 A C 1.955 179.576 177.584 0.061 0.000 1.181 256 A CA 2.096 54.206 52.037 0.121 0.000 0.627 256 A CB -0.703 18.405 19.000 0.180 0.000 0.818 256 A HN 0.141 nan 8.150 nan 0.000 0.445 257 M N 0.734 120.324 119.600 -0.017 0.000 2.394 257 M HA -0.002 4.498 4.480 0.033 0.000 0.264 257 M C 1.514 177.828 176.300 0.024 0.000 1.073 257 M CA 0.887 56.108 55.300 -0.130 0.000 1.111 257 M CB -1.520 30.727 32.600 -0.588 0.000 1.401 257 M HN 0.567 nan 8.290 nan 0.000 0.448 258 S N 0.385 116.163 115.700 0.130 0.000 2.617 258 S HA 0.053 4.542 4.470 0.033 0.000 0.259 258 S C 0.750 175.465 174.600 0.191 0.000 1.301 258 S CA -0.389 57.933 58.200 0.202 0.000 0.984 258 S CB 0.872 64.238 63.200 0.277 0.000 0.954 258 S HN 0.198 nan 8.310 nan 0.000 0.572 259 D N 0.235 120.770 120.400 0.225 0.000 2.378 259 D HA 0.012 4.671 4.640 0.033 0.000 0.222 259 D C 1.898 178.332 176.300 0.223 0.000 0.980 259 D CA 0.340 54.493 54.000 0.255 0.000 0.907 259 D CB -0.175 40.840 40.800 0.359 0.000 0.899 259 D HN 0.390 nan 8.370 nan 0.000 0.527 260 R N 0.230 120.853 120.500 0.204 0.000 2.139 260 R HA -0.093 4.266 4.340 0.033 0.000 0.243 260 R C 2.052 178.500 176.300 0.245 0.000 1.145 260 R CA 1.148 57.395 56.100 0.245 0.000 0.976 260 R CB -0.850 29.653 30.300 0.338 0.000 0.866 260 R HN 0.207 nan 8.270 nan 0.000 0.449 261 G N 1.080 110.010 108.800 0.217 0.000 2.744 261 G HA2 0.000 3.980 3.960 0.033 0.000 0.211 261 G HA3 0.000 3.980 3.960 0.033 0.000 0.211 261 G C 1.015 176.050 174.900 0.224 0.000 1.143 261 G CA 0.048 45.270 45.100 0.202 0.000 0.788 261 G HN 0.410 nan 8.290 nan 0.000 0.534 262 I N -1.812 118.901 120.570 0.239 0.000 2.925 262 I HA 0.361 4.551 4.170 0.033 0.000 0.296 262 I C -2.852 173.418 176.117 0.255 0.000 1.413 262 I CA -2.616 58.837 61.300 0.254 0.000 0.932 262 I CB 1.720 39.875 38.000 0.257 0.000 1.873 262 I HN -0.259 nan 8.210 nan 0.000 0.619 263 P HA 0.077 nan 4.420 nan 0.000 0.269 263 P C 0.571 178.027 177.300 0.261 0.000 1.215 263 P CA -0.181 63.033 63.100 0.190 0.000 0.780 263 P CB 1.258 33.002 31.700 0.074 0.000 0.898 264 R N 1.803 122.440 120.500 0.228 0.000 2.120 264 R HA -0.019 4.340 4.340 0.033 0.000 0.234 264 R C 0.392 176.862 176.300 0.283 0.000 1.123 264 R CA 1.509 57.790 56.100 0.301 0.000 0.975 264 R CB -0.447 29.994 30.300 0.235 0.000 0.866 264 R HN 0.554 nan 8.270 nan 0.000 0.446 265 S N -2.743 112.917 115.700 -0.066 0.000 2.558 265 S HA 0.200 4.690 4.470 0.033 0.000 0.277 265 S C -0.427 173.887 174.600 -0.477 0.000 1.143 265 S CA -0.862 57.151 58.200 -0.312 0.000 0.865 265 S CB 0.093 63.223 63.200 -0.117 0.000 1.102 265 S HN 0.118 nan 8.310 nan 0.000 0.454 266 Y N 2.613 122.538 120.300 -0.625 0.000 2.403 266 Y HA 0.055 4.626 4.550 0.034 0.000 0.291 266 Y C 2.353 177.892 175.900 -0.601 0.000 1.143 266 Y CA 1.051 58.658 58.100 -0.821 0.000 1.257 266 Y CB -0.271 37.325 38.460 -1.440 0.000 0.984 266 Y HN 0.570 nan 8.280 nan 0.000 0.550 267 R N -0.526 119.835 120.500 -0.232 0.000 2.235 267 R HA -0.034 4.326 4.340 0.033 0.000 0.213 267 R C 0.993 177.244 176.300 -0.081 0.000 1.059 267 R CA 1.502 57.517 56.100 -0.142 0.000 0.997 267 R CB -0.372 29.845 30.300 -0.140 0.000 0.884 267 R HN 0.335 nan 8.270 nan 0.000 0.462 268 T N -1.810 112.715 114.554 -0.047 0.000 3.374 268 T HA 0.353 4.723 4.350 0.033 0.000 0.267 268 T C 0.178 174.915 174.700 0.062 0.000 0.996 268 T CA -0.677 61.426 62.100 0.005 0.000 0.977 268 T CB -0.089 68.770 68.868 -0.014 0.000 1.149 268 T HN 0.064 nan 8.240 nan 0.000 0.517 269 M N -1.151 118.525 119.600 0.127 0.000 2.644 269 M HA 0.745 5.244 4.480 0.033 0.000 0.304 269 M C -1.100 175.374 176.300 0.290 0.000 1.215 269 M CA -0.912 54.504 55.300 0.194 0.000 0.871 269 M CB 2.097 34.809 32.600 0.187 0.000 1.740 269 M HN -0.146 nan 8.290 nan 0.000 0.464 270 E N 0.302 120.668 120.200 0.276 0.000 2.314 270 E HA 0.658 5.028 4.350 0.033 0.000 0.262 270 E C -0.334 176.327 176.600 0.102 0.000 1.093 270 E CA -0.574 55.919 56.400 0.156 0.000 0.908 270 E CB 1.763 31.474 29.700 0.019 0.000 1.091 270 E HN 0.854 nan 8.360 nan 0.000 0.425 271 G N 0.708 109.412 108.800 -0.160 0.000 2.498 271 G HA2 0.652 4.632 3.960 0.033 0.000 0.312 271 G HA3 0.652 4.632 3.960 0.033 0.000 0.312 271 G C -1.444 173.018 174.900 -0.730 0.000 1.230 271 G CA -0.476 44.490 45.100 -0.224 0.000 0.968 271 G HN 0.304 nan 8.290 nan 0.000 0.481 272 F N -0.821 119.061 119.950 -0.113 0.000 2.619 272 F HA 0.488 5.034 4.527 0.030 0.000 0.308 272 F C 1.025 176.725 175.800 -0.166 0.000 1.097 272 F CA -0.603 57.251 58.000 -0.243 0.000 0.953 272 F CB 2.511 41.321 39.000 -0.316 0.000 1.287 272 F HN 0.610 nan 8.300 nan 0.000 0.446 273 G N -0.396 108.455 108.800 0.084 0.000 2.920 273 G HA2 0.132 4.111 3.960 0.033 0.000 0.208 273 G HA3 0.132 4.111 3.960 0.033 0.000 0.208 273 G C 0.822 175.806 174.900 0.139 0.000 1.159 273 G CA 0.600 45.813 45.100 0.189 0.000 0.784 273 G HN 1.058 nan 8.290 nan 0.000 0.535 274 C N -1.368 117.904 119.300 -0.047 0.000 5.878 274 C HA -0.181 4.299 4.460 0.033 0.000 0.327 274 C C 0.798 175.508 174.990 -0.467 0.000 2.421 274 C CA 0.786 59.610 59.018 -0.324 0.000 2.184 274 C CB -2.217 25.238 27.740 -0.474 0.000 3.220 274 C HN 0.620 nan 8.230 nan 0.000 0.271 275 H N -0.063 119.046 119.070 0.064 0.000 2.731 275 H HA 0.488 5.062 4.556 0.031 0.000 0.368 275 H C -0.176 175.120 175.328 -0.053 0.000 1.168 275 H CA 0.007 56.005 56.048 -0.084 0.000 1.181 275 H CB 0.943 30.506 29.762 -0.332 0.000 1.743 275 H HN 0.248 nan 8.280 nan 0.000 0.547 276 T N 2.928 117.478 114.554 -0.007 0.000 2.779 276 T HA 0.210 4.580 4.350 0.033 0.000 0.296 276 T C 0.121 174.768 174.700 -0.088 0.000 0.938 276 T CA 0.197 62.279 62.100 -0.029 0.000 1.119 276 T CB -0.405 68.404 68.868 -0.098 0.000 0.891 276 T HN 0.199 nan 8.240 nan 0.000 0.526 277 F N 1.360 121.274 119.950 -0.059 0.000 2.611 277 F HA 0.645 5.189 4.527 0.028 0.000 0.374 277 F C 1.079 176.831 175.800 -0.080 0.000 1.110 277 F CA -1.351 56.634 58.000 -0.025 0.000 1.090 277 F CB 1.350 40.326 39.000 -0.039 0.000 1.388 277 F HN 0.196 nan 8.300 nan 0.000 0.501 278 R N 0.588 121.141 120.500 0.088 0.000 2.740 278 R HA 0.627 4.986 4.340 0.033 0.000 0.282 278 R C -1.505 174.675 176.300 -0.200 0.000 0.969 278 R CA -0.878 55.132 56.100 -0.150 0.000 0.918 278 R CB 1.834 31.965 30.300 -0.282 0.000 1.175 278 R HN 0.423 nan 8.270 nan 0.000 0.464 279 L N 3.282 124.341 121.223 -0.273 0.000 2.343 279 L HA 0.522 4.881 4.340 0.033 0.000 0.275 279 L C -0.315 176.395 176.870 -0.267 0.000 1.056 279 L CA -0.861 53.827 54.840 -0.253 0.000 0.804 279 L CB 1.037 42.951 42.059 -0.242 0.000 1.203 279 L HN 0.356 nan 8.230 nan 0.000 0.440 280 I N 2.171 122.608 120.570 -0.221 0.000 2.498 280 I HA 0.305 4.495 4.170 0.033 0.000 0.290 280 I C -0.393 175.635 176.117 -0.148 0.000 1.032 280 I CA -0.687 60.487 61.300 -0.210 0.000 1.073 280 I CB 1.584 39.467 38.000 -0.196 0.000 1.251 280 I HN 0.635 nan 8.210 nan 0.000 0.426 281 N N 4.448 123.075 118.700 -0.121 0.000 2.604 281 N HA 0.467 5.227 4.740 0.033 0.000 0.297 281 N C 0.778 176.247 175.510 -0.069 0.000 1.266 281 N CA -0.384 52.614 53.050 -0.086 0.000 0.961 281 N CB 0.564 39.008 38.487 -0.071 0.000 1.166 281 N HN 0.518 nan 8.380 nan 0.000 0.601 282 A N -0.302 122.486 122.820 -0.052 0.000 1.940 282 A HA -0.158 4.182 4.320 0.033 0.000 0.219 282 A C 1.580 179.143 177.584 -0.036 0.000 1.176 282 A CA 1.598 53.610 52.037 -0.041 0.000 0.631 282 A CB -0.905 18.078 19.000 -0.029 0.000 0.814 282 A HN 0.783 nan 8.150 nan 0.000 0.446 283 E N -1.474 118.706 120.200 -0.033 0.000 2.482 283 E HA 0.267 4.637 4.350 0.033 0.000 0.196 283 E C 1.225 177.814 176.600 -0.019 0.000 1.047 283 E CA 0.772 57.158 56.400 -0.024 0.000 0.869 283 E CB -0.165 29.522 29.700 -0.021 0.000 0.836 283 E HN 0.784 nan 8.360 nan 0.000 0.520 284 G N 1.351 110.136 108.800 -0.025 0.000 2.141 284 G HA2 -0.368 3.611 3.960 0.033 0.000 0.242 284 G HA3 -0.368 3.611 3.960 0.033 0.000 0.242 284 G C 0.211 175.127 174.900 0.027 0.000 0.982 284 G CA 0.342 45.444 45.100 0.003 0.000 0.662 284 G HN 0.290 nan 8.290 nan 0.000 0.527 285 K N 0.621 121.001 120.400 -0.033 0.000 2.298 285 K HA 0.679 5.019 4.320 0.033 0.000 0.280 285 K C 0.551 177.026 176.600 -0.209 0.000 1.032 285 K CA 0.156 56.402 56.287 -0.068 0.000 0.958 285 K CB 0.662 33.121 32.500 -0.068 0.000 0.978 285 K HN 0.650 nan 8.250 nan 0.000 0.472 286 A N 3.376 125.966 122.820 -0.384 0.000 2.305 286 A HA 0.437 4.776 4.320 0.033 0.000 0.322 286 A C -0.823 176.442 177.584 -0.531 0.000 1.187 286 A CA -0.571 51.059 52.037 -0.678 0.000 0.825 286 A CB 1.132 19.211 19.000 -1.536 0.000 1.164 286 A HN 0.743 nan 8.150 nan 0.000 0.498 287 T N 2.335 116.613 114.554 -0.460 0.000 2.824 287 T HA 0.530 4.899 4.350 0.033 0.000 0.282 287 T C -0.633 173.846 174.700 -0.369 0.000 0.993 287 T CA -0.105 61.781 62.100 -0.356 0.000 0.967 287 T CB 0.469 69.222 68.868 -0.191 0.000 0.960 287 T HN 0.337 nan 8.240 nan 0.000 0.441 288 F N 2.108 121.962 119.950 -0.161 0.000 2.484 288 F HA 0.499 5.045 4.527 0.031 0.000 0.360 288 F C 0.565 176.251 175.800 -0.191 0.000 1.101 288 F CA -0.379 57.525 58.000 -0.160 0.000 1.251 288 F CB 0.655 39.587 39.000 -0.114 0.000 1.132 288 F HN 0.193 nan 8.300 nan 0.000 0.570 289 V N 4.958 124.831 119.914 -0.068 0.000 2.841 289 V HA 0.600 4.739 4.120 0.033 0.000 0.310 289 V C -0.932 174.940 176.094 -0.370 0.000 1.090 289 V CA -0.778 61.332 62.300 -0.317 0.000 0.930 289 V CB 2.070 33.473 31.823 -0.700 0.000 1.014 289 V HN 0.755 nan 8.190 nan 0.000 0.425 290 R N 4.717 125.047 120.500 -0.283 0.000 2.562 290 R HA 0.555 4.914 4.340 0.033 0.000 0.298 290 R C -1.594 174.609 176.300 -0.161 0.000 0.961 290 R CA -0.454 55.510 56.100 -0.227 0.000 0.881 290 R CB 2.019 32.307 30.300 -0.019 0.000 1.159 290 R HN 0.582 nan 8.270 nan 0.000 0.450 291 F N 1.915 121.893 119.950 0.048 0.000 2.379 291 F HA 0.390 4.935 4.527 0.030 0.000 0.332 291 F C 0.981 176.700 175.800 -0.135 0.000 1.096 291 F CA -0.076 57.924 58.000 0.000 0.000 1.105 291 F CB 0.913 39.797 39.000 -0.194 0.000 1.189 291 F HN 0.216 nan 8.300 nan 0.000 0.515 292 H N 0.404 119.471 119.070 -0.006 0.000 2.851 292 H HA 0.242 4.818 4.556 0.035 0.000 0.372 292 H C -1.631 173.469 175.328 -0.380 0.000 1.158 292 H CA -1.022 54.914 56.048 -0.187 0.000 1.159 292 H CB 2.040 31.775 29.762 -0.044 0.000 1.757 292 H HN 0.670 nan 8.280 nan 0.000 0.546 293 W N 2.221 123.417 121.300 -0.173 0.000 2.538 293 W HA 0.315 4.992 4.660 0.029 0.000 0.322 293 W C -0.178 176.374 176.519 0.055 0.000 1.028 293 W CA -0.756 56.538 57.345 -0.086 0.000 1.228 293 W CB 1.858 31.094 29.460 -0.373 0.000 1.356 293 W HN 0.267 nan 8.180 nan 0.000 0.452 294 K N 5.772 126.440 120.400 0.447 0.000 2.265 294 K HA 0.408 4.747 4.320 0.033 0.000 0.267 294 K C -2.475 174.349 176.600 0.373 0.000 0.994 294 K CA -1.851 54.632 56.287 0.326 0.000 0.860 294 K CB 1.486 34.126 32.500 0.232 0.000 1.099 294 K HN 0.032 nan 8.250 nan 0.000 0.448 295 P HA 0.085 nan 4.420 nan 0.000 0.287 295 P C 0.328 177.637 177.300 0.014 0.000 1.294 295 P CA -0.204 62.970 63.100 0.122 0.000 0.776 295 P CB 0.877 32.660 31.700 0.140 0.000 0.889 296 L N 2.542 123.721 121.223 -0.073 0.000 2.465 296 L HA -0.054 4.305 4.340 0.033 0.000 0.224 296 L C 2.127 178.976 176.870 -0.034 0.000 1.145 296 L CA 0.985 55.815 54.840 -0.016 0.000 0.834 296 L CB -0.547 41.511 42.059 -0.001 0.000 0.944 296 L HN 0.347 nan 8.230 nan 0.000 0.451 297 A N 0.016 122.786 122.820 -0.083 0.000 2.238 297 A HA 0.407 4.746 4.320 0.033 0.000 0.208 297 A C 1.260 178.839 177.584 -0.009 0.000 1.177 297 A CA 0.677 52.683 52.037 -0.052 0.000 0.804 297 A CB -0.377 18.572 19.000 -0.085 0.000 0.823 297 A HN 0.452 nan 8.150 nan 0.000 0.482 298 G N -0.687 108.122 108.800 0.015 0.000 2.756 298 G HA2 -0.126 3.854 3.960 0.033 0.000 0.678 298 G HA3 -0.126 3.854 3.960 0.033 0.000 0.678 298 G C -0.651 174.278 174.900 0.049 0.000 1.349 298 G CA -0.414 44.715 45.100 0.049 0.000 0.847 298 G HN 0.469 nan 8.290 nan 0.000 0.548 299 K N 0.071 120.507 120.400 0.060 0.000 2.156 299 K HA 0.746 5.086 4.320 0.033 0.000 0.271 299 K C 0.209 176.808 176.600 -0.001 0.000 0.995 299 K CA 0.181 56.487 56.287 0.032 0.000 0.890 299 K CB 1.835 34.341 32.500 0.011 0.000 1.073 299 K HN 1.494 nan 8.250 nan 0.000 0.454 300 A N 1.605 124.411 122.820 -0.023 0.000 2.540 300 A HA 0.593 4.932 4.320 0.033 0.000 0.297 300 A C -1.180 176.444 177.584 0.067 0.000 1.056 300 A CA -0.698 51.287 52.037 -0.087 0.000 0.700 300 A CB 1.676 20.414 19.000 -0.437 0.000 1.280 300 A HN 0.510 nan 8.150 nan 0.000 0.398 301 S N 0.594 116.472 115.700 0.298 0.000 2.634 301 S HA 0.747 5.236 4.470 0.033 0.000 0.296 301 S C -0.038 174.871 174.600 0.515 0.000 1.104 301 S CA -0.640 57.783 58.200 0.373 0.000 0.920 301 S CB 1.184 64.590 63.200 0.343 0.000 1.111 301 S HN 0.654 nan 8.310 nan 0.000 0.493 302 L N 1.439 122.864 121.223 0.336 0.000 2.470 302 L HA 0.451 4.810 4.340 0.033 0.000 0.243 302 L C 0.251 177.241 176.870 0.200 0.000 1.227 302 L CA -0.663 54.300 54.840 0.205 0.000 0.824 302 L CB 0.077 42.169 42.059 0.055 0.000 1.175 302 L HN 0.497 nan 8.230 nan 0.000 0.503 303 V N -2.796 117.137 119.914 0.032 0.000 2.975 303 V HA 0.190 4.329 4.120 0.033 0.000 0.318 303 V C 0.658 176.694 176.094 -0.096 0.000 1.077 303 V CA -0.744 61.539 62.300 -0.029 0.000 1.000 303 V CB 1.626 33.407 31.823 -0.069 0.000 1.066 303 V HN 0.956 nan 8.190 nan 0.000 0.452 304 W N 1.381 122.541 121.300 -0.232 0.000 2.354 304 W HA -0.170 4.509 4.660 0.032 0.000 0.315 304 W C 1.829 178.190 176.519 -0.265 0.000 1.206 304 W CA 2.326 59.530 57.345 -0.235 0.000 1.290 304 W CB -0.157 29.147 29.460 -0.260 0.000 1.152 304 W HN 0.982 nan 8.180 nan 0.000 0.489 305 D N 0.389 120.504 120.400 -0.476 0.000 2.133 305 D HA -0.317 4.343 4.640 0.033 0.000 0.195 305 D C 2.131 178.059 176.300 -0.620 0.000 0.997 305 D CA 2.327 56.017 54.000 -0.516 0.000 0.840 305 D CB -0.450 40.296 40.800 -0.090 0.000 0.947 305 D HN 0.413 nan 8.370 nan 0.000 0.452 306 E N -0.440 119.294 120.200 -0.777 0.000 2.028 306 E HA -0.165 4.205 4.350 0.033 0.000 0.190 306 E C 2.095 178.347 176.600 -0.581 0.000 0.984 306 E CA 0.946 56.819 56.400 -0.879 0.000 0.800 306 E CB -0.269 28.826 29.700 -1.007 0.000 0.758 306 E HN 0.277 nan 8.360 nan 0.000 0.448 307 A N 1.367 123.881 122.820 -0.511 0.000 1.892 307 A HA -0.300 4.040 4.320 0.033 0.000 0.218 307 A C 2.211 179.460 177.584 -0.558 0.000 1.188 307 A CA 2.046 53.827 52.037 -0.428 0.000 0.631 307 A CB -0.822 18.042 19.000 -0.228 0.000 0.822 307 A HN 0.497 nan 8.150 nan 0.000 0.447 308 Q N -0.662 118.589 119.800 -0.916 0.000 2.079 308 Q HA -0.178 4.182 4.340 0.033 0.000 0.200 308 Q C 2.204 177.919 176.000 -0.476 0.000 0.974 308 Q CA 1.749 57.037 55.803 -0.858 0.000 0.840 308 Q CB -0.156 27.760 28.738 -1.370 0.000 0.898 308 Q HN 0.673 nan 8.270 nan 0.000 0.430 309 K N 0.068 120.211 120.400 -0.428 0.000 2.097 309 K HA -0.154 4.186 4.320 0.033 0.000 0.206 309 K C 2.076 178.529 176.600 -0.244 0.000 1.049 309 K CA 0.778 56.908 56.287 -0.262 0.000 0.933 309 K CB -0.062 32.328 32.500 -0.184 0.000 0.717 309 K HN 0.186 nan 8.250 nan 0.000 0.442 310 L N 1.471 122.506 121.223 -0.314 0.000 2.131 310 L HA -0.145 4.214 4.340 0.033 0.000 0.210 310 L C 2.229 178.960 176.870 -0.231 0.000 1.092 310 L CA 2.210 56.860 54.840 -0.316 0.000 0.759 310 L CB -1.009 40.770 42.059 -0.466 0.000 0.903 310 L HN 0.343 nan 8.230 nan 0.000 0.435 311 T N -4.361 110.062 114.554 -0.218 0.000 2.881 311 T HA -0.078 4.291 4.350 0.033 0.000 0.270 311 T C 1.855 176.494 174.700 -0.103 0.000 1.068 311 T CA 1.027 63.042 62.100 -0.141 0.000 1.131 311 T CB -0.959 67.838 68.868 -0.117 0.000 0.871 311 T HN 0.378 nan 8.240 nan 0.000 0.479 312 G N 1.068 109.800 108.800 -0.113 0.000 2.441 312 G HA2 0.004 3.983 3.960 0.033 0.000 0.212 312 G HA3 0.004 3.983 3.960 0.033 0.000 0.212 312 G C 1.905 176.761 174.900 -0.073 0.000 1.164 312 G CA -0.261 44.789 45.100 -0.083 0.000 0.811 312 G HN 0.300 nan 8.290 nan 0.000 0.535 313 R N 0.289 120.735 120.500 -0.090 0.000 2.115 313 R HA 0.036 4.396 4.340 0.033 0.000 0.226 313 R C -0.145 176.128 176.300 -0.046 0.000 1.100 313 R CA 0.835 56.895 56.100 -0.068 0.000 0.980 313 R CB -0.215 30.034 30.300 -0.084 0.000 0.875 313 R HN 0.335 nan 8.270 nan 0.000 0.445 314 D N -0.648 119.720 120.400 -0.054 0.000 2.411 314 D HA 0.144 4.804 4.640 0.033 0.000 0.239 314 D C -2.154 174.147 176.300 0.002 0.000 1.307 314 D CA -1.718 52.283 54.000 0.002 0.000 0.930 314 D CB 1.330 42.175 40.800 0.075 0.000 1.395 314 D HN -0.146 nan 8.370 nan 0.000 0.536 315 P HA 0.014 nan 4.420 nan 0.000 0.230 315 P C 0.187 177.493 177.300 0.010 0.000 1.158 315 P CA 0.558 63.648 63.100 -0.017 0.000 0.769 315 P CB 0.490 32.177 31.700 -0.021 0.000 0.807 316 D N -1.379 119.037 120.400 0.025 0.000 2.336 316 D HA 0.048 4.707 4.640 0.033 0.000 0.228 316 D C 1.319 177.651 176.300 0.054 0.000 1.120 316 D CA -0.320 53.700 54.000 0.032 0.000 0.839 316 D CB -0.594 40.205 40.800 -0.003 0.000 0.932 316 D HN 0.128 nan 8.370 nan 0.000 0.509 317 F N 1.334 121.221 119.950 -0.105 0.000 2.091 317 F HA -0.280 4.266 4.527 0.032 0.000 0.299 317 F C 2.089 177.847 175.800 -0.069 0.000 1.103 317 F CA 1.932 59.859 58.000 -0.121 0.000 1.228 317 F CB 0.018 38.889 39.000 -0.215 0.000 0.984 317 F HN 0.121 nan 8.300 nan 0.000 0.477 318 H N -1.296 117.675 119.070 -0.166 0.000 2.403 318 H HA -0.063 4.512 4.556 0.032 0.000 0.298 318 H C 2.363 177.575 175.328 -0.193 0.000 1.059 318 H CA 0.802 56.600 56.048 -0.416 0.000 1.363 318 H CB -0.100 29.252 29.762 -0.683 0.000 1.410 318 H HN 0.183 nan 8.280 nan 0.000 0.528 319 R N 1.342 121.931 120.500 0.147 0.000 2.091 319 R HA -0.145 4.214 4.340 0.033 0.000 0.238 319 R C 2.399 178.798 176.300 0.164 0.000 1.136 319 R CA 1.447 57.687 56.100 0.233 0.000 0.959 319 R CB -0.052 30.380 30.300 0.221 0.000 0.856 319 R HN 0.205 nan 8.270 nan 0.000 0.437 320 R N 0.246 120.764 120.500 0.029 0.000 2.075 320 R HA -0.124 4.236 4.340 0.033 0.000 0.232 320 R C 2.154 178.451 176.300 -0.004 0.000 1.126 320 R CA 1.562 57.665 56.100 0.005 0.000 0.963 320 R CB -0.207 30.062 30.300 -0.051 0.000 0.858 320 R HN 0.275 nan 8.270 nan 0.000 0.435 321 E N 0.726 120.816 120.200 -0.182 0.000 2.106 321 E HA -0.188 4.181 4.350 0.033 0.000 0.192 321 E C 1.987 178.558 176.600 -0.048 0.000 0.984 321 E CA 0.900 57.163 56.400 -0.227 0.000 0.806 321 E CB -0.029 29.346 29.700 -0.542 0.000 0.750 321 E HN 0.265 nan 8.360 nan 0.000 0.458 322 L N 0.829 122.068 121.223 0.027 0.000 2.027 322 L HA -0.136 4.223 4.340 0.033 0.000 0.206 322 L C 2.237 179.215 176.870 0.179 0.000 1.074 322 L CA 1.765 56.671 54.840 0.111 0.000 0.745 322 L CB -0.913 41.270 42.059 0.207 0.000 0.898 322 L HN 0.300 nan 8.230 nan 0.000 0.433 323 W N 0.887 122.224 121.300 0.062 0.000 2.355 323 W HA -0.209 4.470 4.660 0.031 0.000 0.309 323 W C 2.198 178.750 176.519 0.056 0.000 1.206 323 W CA 2.141 59.535 57.345 0.082 0.000 1.284 323 W CB -0.128 29.384 29.460 0.086 0.000 1.145 323 W HN 0.349 nan 8.180 nan 0.000 0.502 324 E N -0.174 120.206 120.200 0.299 0.000 2.152 324 E HA -0.104 4.266 4.350 0.033 0.000 0.192 324 E C 2.354 178.994 176.600 0.067 0.000 0.983 324 E CA 0.919 57.421 56.400 0.170 0.000 0.818 324 E CB -0.261 29.488 29.700 0.083 0.000 0.758 324 E HN 0.173 nan 8.360 nan 0.000 0.467 325 A N 1.315 124.171 122.820 0.060 0.000 1.877 325 A HA -0.181 4.159 4.320 0.033 0.000 0.216 325 A C 2.145 179.768 177.584 0.065 0.000 1.186 325 A CA 1.063 53.129 52.037 0.048 0.000 0.620 325 A CB -0.553 18.471 19.000 0.041 0.000 0.822 325 A HN 0.138 nan 8.150 nan 0.000 0.443 326 I N -0.435 120.194 120.570 0.098 0.000 2.226 326 I HA -0.249 3.941 4.170 0.033 0.000 0.245 326 I C 2.446 178.657 176.117 0.156 0.000 1.100 326 I CA 1.504 62.915 61.300 0.186 0.000 1.374 326 I CB -0.484 37.546 38.000 0.050 0.000 1.057 326 I HN 0.431 nan 8.210 nan 0.000 0.413 327 E N 0.824 121.059 120.200 0.058 0.000 2.204 327 E HA -0.190 4.180 4.350 0.033 0.000 0.195 327 E C 2.121 178.747 176.600 0.045 0.000 0.990 327 E CA 1.234 57.675 56.400 0.069 0.000 0.821 327 E CB -0.083 29.688 29.700 0.117 0.000 0.750 327 E HN 0.513 nan 8.360 nan 0.000 0.477 328 A N -0.003 122.819 122.820 0.003 0.000 2.218 328 A HA 0.233 4.572 4.320 0.033 0.000 0.209 328 A C 1.765 179.283 177.584 -0.109 0.000 1.168 328 A CA 0.905 52.917 52.037 -0.041 0.000 0.804 328 A CB -0.035 18.923 19.000 -0.070 0.000 0.834 328 A HN 0.327 nan 8.150 nan 0.000 0.482 329 G N -0.428 108.217 108.800 -0.258 0.000 2.157 329 G HA2 -0.202 3.777 3.960 0.033 0.000 0.248 329 G HA3 -0.202 3.777 3.960 0.033 0.000 0.248 329 G C -0.157 174.239 174.900 -0.840 0.000 0.979 329 G CA 0.271 44.891 45.100 -0.800 0.000 0.650 329 G HN 0.430 nan 8.290 nan 0.000 0.529 330 D N 0.926 121.105 120.400 -0.368 0.000 2.994 330 D HA 0.267 4.927 4.640 0.033 0.000 0.240 330 D C 0.859 177.108 176.300 -0.084 0.000 1.195 330 D CA -0.204 53.682 54.000 -0.190 0.000 0.957 330 D CB -0.720 40.071 40.800 -0.014 0.000 1.105 330 D HN 0.461 nan 8.370 nan 0.000 0.477 331 F N 1.226 121.179 119.950 0.006 0.000 2.608 331 F HA 0.064 4.611 4.527 0.033 0.000 0.380 331 F C -1.355 174.417 175.800 -0.047 0.000 1.083 331 F CA -1.844 56.152 58.000 -0.008 0.000 1.266 331 F CB -0.084 38.923 39.000 0.012 0.000 1.076 331 F HN -0.122 nan 8.300 nan 0.000 0.574 332 P HA 0.008 nan 4.420 nan 0.000 0.262 332 P C -1.082 176.151 177.300 -0.112 0.000 1.199 332 P CA 0.474 63.554 63.100 -0.034 0.000 0.763 332 P CB 0.411 32.181 31.700 0.118 0.000 0.790 333 E N 2.691 122.678 120.200 -0.355 0.000 2.222 333 E HA 0.445 4.814 4.350 0.033 0.000 0.267 333 E C -0.999 175.340 176.600 -0.434 0.000 0.884 333 E CA -0.580 55.693 56.400 -0.212 0.000 0.764 333 E CB 1.480 31.148 29.700 -0.054 0.000 1.169 333 E HN 0.386 nan 8.360 nan 0.000 0.413 334 Y N 0.275 120.645 120.300 0.116 0.000 2.512 334 Y HA 0.281 4.852 4.550 0.036 0.000 0.348 334 Y C -0.158 175.973 175.900 0.385 0.000 0.990 334 Y CA -1.049 57.198 58.100 0.245 0.000 1.033 334 Y CB 1.969 40.565 38.460 0.225 0.000 1.259 334 Y HN 0.459 nan 8.280 nan 0.000 0.461 335 E N 2.248 122.769 120.200 0.535 0.000 2.174 335 E HA 0.372 4.741 4.350 0.033 0.000 0.282 335 E C -1.403 175.465 176.600 0.447 0.000 0.992 335 E CA -0.935 55.718 56.400 0.422 0.000 0.803 335 E CB 1.003 30.884 29.700 0.301 0.000 1.090 335 E HN 0.561 nan 8.360 nan 0.000 0.396 336 L N 4.202 125.598 121.223 0.288 0.000 2.367 336 L HA 0.478 4.838 4.340 0.033 0.000 0.275 336 L C -0.094 176.666 176.870 -0.182 0.000 1.129 336 L CA 0.579 55.292 54.840 -0.212 0.000 0.839 336 L CB 0.953 42.825 42.059 -0.311 0.000 1.133 336 L HN 0.542 nan 8.230 nan 0.000 0.453 337 G N 4.675 113.396 108.800 -0.132 0.000 2.591 337 G HA2 0.551 4.530 3.960 0.033 0.000 0.306 337 G HA3 0.551 4.530 3.960 0.033 0.000 0.306 337 G C -1.529 173.490 174.900 0.198 0.000 1.334 337 G CA -0.504 44.566 45.100 -0.049 0.000 0.981 337 G HN 0.482 nan 8.290 nan 0.000 0.491 338 F N 0.394 120.356 119.950 0.020 0.000 2.482 338 F HA 0.380 4.927 4.527 0.034 0.000 0.331 338 F C 0.466 176.260 175.800 -0.011 0.000 1.115 338 F CA -0.972 57.043 58.000 0.026 0.000 0.955 338 F CB 2.494 41.495 39.000 0.002 0.000 1.136 338 F HN 0.122 nan 8.300 nan 0.000 0.452 339 Q N 4.531 124.449 119.800 0.197 0.000 2.331 339 Q HA 0.459 4.818 4.340 0.033 0.000 0.257 339 Q C -1.029 175.013 176.000 0.070 0.000 0.957 339 Q CA -0.446 55.418 55.803 0.101 0.000 0.923 339 Q CB 1.960 30.764 28.738 0.110 0.000 1.212 339 Q HN 0.546 nan 8.270 nan 0.000 0.443 340 L N 4.088 125.360 121.223 0.082 0.000 2.307 340 L HA 0.575 4.935 4.340 0.033 0.000 0.284 340 L C -0.709 176.216 176.870 0.091 0.000 1.023 340 L CA -0.799 54.078 54.840 0.061 0.000 0.810 340 L CB 1.192 43.293 42.059 0.070 0.000 1.231 340 L HN 0.506 nan 8.230 nan 0.000 0.423 341 I N 4.220 124.861 120.570 0.119 0.000 2.468 341 I HA 0.395 4.585 4.170 0.033 0.000 0.285 341 I C -2.360 173.878 176.117 0.202 0.000 1.039 341 I CA -1.651 59.763 61.300 0.191 0.000 1.074 341 I CB 1.863 40.007 38.000 0.239 0.000 1.228 341 I HN 0.290 nan 8.210 nan 0.000 0.436 342 P HA 0.056 nan 4.420 nan 0.000 0.270 342 P C 0.714 178.084 177.300 0.116 0.000 1.223 342 P CA -0.202 62.935 63.100 0.061 0.000 0.785 342 P CB 0.798 32.526 31.700 0.046 0.000 0.923 343 E N 1.394 121.580 120.200 -0.023 0.000 2.153 343 E HA -0.249 4.121 4.350 0.033 0.000 0.194 343 E C 0.698 177.393 176.600 0.158 0.000 0.988 343 E CA 1.354 57.752 56.400 -0.003 0.000 0.811 343 E CB -0.040 29.543 29.700 -0.195 0.000 0.746 343 E HN 0.401 nan 8.360 nan 0.000 0.466 344 E N 0.627 120.882 120.200 0.092 0.000 2.478 344 E HA -0.100 4.269 4.350 0.033 0.000 0.198 344 E C 0.648 177.296 176.600 0.081 0.000 1.046 344 E CA 0.850 57.307 56.400 0.095 0.000 0.870 344 E CB 0.104 29.840 29.700 0.059 0.000 0.818 344 E HN 0.256 nan 8.360 nan 0.000 0.527 345 D N 0.252 120.698 120.400 0.077 0.000 2.340 345 D HA -0.020 4.639 4.640 0.033 0.000 0.217 345 D C 1.238 177.507 176.300 -0.053 0.000 1.081 345 D CA 0.079 54.080 54.000 0.001 0.000 0.842 345 D CB 0.047 40.865 40.800 0.029 0.000 0.934 345 D HN 0.272 nan 8.370 nan 0.000 0.511 346 E N -0.226 119.924 120.200 -0.084 0.000 2.136 346 E HA -0.218 4.151 4.350 0.033 0.000 0.202 346 E C 0.433 176.637 176.600 -0.660 0.000 1.019 346 E CA 1.202 57.314 56.400 -0.480 0.000 0.819 346 E CB 0.001 29.245 29.700 -0.759 0.000 0.739 346 E HN 0.287 nan 8.360 nan 0.000 0.458 347 F N -0.658 119.251 119.950 -0.069 0.000 2.647 347 F HA 0.274 4.820 4.527 0.032 0.000 0.300 347 F C 1.387 177.061 175.800 -0.210 0.000 1.106 347 F CA -0.285 57.652 58.000 -0.105 0.000 1.313 347 F CB 0.575 39.538 39.000 -0.061 0.000 1.007 347 F HN -0.191 nan 8.300 nan 0.000 0.536 348 K N 0.043 120.260 120.400 -0.304 0.000 2.487 348 K HA 0.116 4.455 4.320 0.033 0.000 0.192 348 K C -0.213 175.859 176.600 -0.881 0.000 1.027 348 K CA 0.408 56.340 56.287 -0.592 0.000 1.054 348 K CB 0.214 32.319 32.500 -0.659 0.000 0.824 348 K HN 0.152 nan 8.250 nan 0.000 0.510 349 F N 0.349 120.128 119.950 -0.284 0.000 2.557 349 F HA 0.105 4.652 4.527 0.033 0.000 0.336 349 F C 1.050 176.647 175.800 -0.339 0.000 1.058 349 F CA -1.272 56.464 58.000 -0.440 0.000 0.988 349 F CB 0.779 39.117 39.000 -1.103 0.000 1.275 349 F HN -0.043 nan 8.300 nan 0.000 0.488 350 D N -0.380 120.028 120.400 0.013 0.000 2.325 350 D HA 0.068 4.728 4.640 0.033 0.000 0.225 350 D C -0.437 175.961 176.300 0.164 0.000 1.096 350 D CA 0.100 54.153 54.000 0.089 0.000 0.844 350 D CB -0.808 40.074 40.800 0.135 0.000 0.925 350 D HN 0.242 nan 8.370 nan 0.000 0.513 351 F N -1.592 118.446 119.950 0.146 0.000 2.631 351 F HA 0.559 5.105 4.527 0.032 0.000 0.328 351 F C -0.333 175.473 175.800 0.011 0.000 1.067 351 F CA -1.764 56.250 58.000 0.023 0.000 0.969 351 F CB 0.926 39.895 39.000 -0.052 0.000 1.332 351 F HN -0.329 nan 8.300 nan 0.000 0.490 352 D N 1.698 122.145 120.400 0.078 0.000 2.277 352 D HA 0.210 4.870 4.640 0.033 0.000 0.249 352 D C 1.011 177.285 176.300 -0.043 0.000 1.134 352 D CA -0.106 53.884 54.000 -0.016 0.000 0.863 352 D CB 1.492 42.318 40.800 0.043 0.000 1.143 352 D HN 0.755 nan 8.370 nan 0.000 0.458 353 L N 3.382 124.511 121.223 -0.157 0.000 2.261 353 L HA -0.137 4.223 4.340 0.033 0.000 0.216 353 L C 1.878 178.635 176.870 -0.188 0.000 1.114 353 L CA 0.743 55.468 54.840 -0.192 0.000 0.777 353 L CB -0.068 41.725 42.059 -0.443 0.000 0.910 353 L HN 0.463 nan 8.230 nan 0.000 0.440 354 L N -0.981 120.149 121.223 -0.154 0.000 2.611 354 L HA 0.095 4.454 4.340 0.033 0.000 0.229 354 L C 0.305 177.098 176.870 -0.129 0.000 1.137 354 L CA -0.156 54.650 54.840 -0.057 0.000 0.901 354 L CB -0.136 41.996 42.059 0.121 0.000 1.098 354 L HN 0.074 nan 8.230 nan 0.000 0.456 355 D N 1.825 121.932 120.400 -0.488 0.000 2.359 355 D HA 0.144 4.804 4.640 0.033 0.000 0.230 355 D C -1.696 174.367 176.300 -0.394 0.000 1.118 355 D CA -2.238 51.199 54.000 -0.938 0.000 0.844 355 D CB 1.657 41.678 40.800 -1.300 0.000 1.059 355 D HN -0.067 nan 8.370 nan 0.000 0.493 356 P HA 0.003 nan 4.420 nan 0.000 0.253 356 P C 0.745 177.947 177.300 -0.163 0.000 1.260 356 P CA 0.366 63.385 63.100 -0.135 0.000 0.800 356 P CB 0.011 31.715 31.700 0.006 0.000 1.162 357 T N -4.269 110.180 114.554 -0.176 0.000 3.107 357 T HA 0.159 4.528 4.350 0.033 0.000 0.249 357 T C 0.751 175.371 174.700 -0.133 0.000 1.096 357 T CA -0.084 61.929 62.100 -0.144 0.000 1.012 357 T CB -0.137 68.690 68.868 -0.069 0.000 0.977 357 T HN -0.134 nan 8.240 nan 0.000 0.527 358 K N 2.200 122.422 120.400 -0.297 0.000 2.182 358 K HA 0.561 4.901 4.320 0.033 0.000 0.262 358 K C -0.339 176.075 176.600 -0.310 0.000 0.957 358 K CA -0.836 55.144 56.287 -0.512 0.000 0.842 358 K CB 2.120 34.191 32.500 -0.716 0.000 1.099 358 K HN 0.305 nan 8.250 nan 0.000 0.438 359 L N -0.160 121.008 121.223 -0.091 0.000 2.375 359 L HA 0.626 4.985 4.340 0.033 0.000 0.268 359 L C -0.015 176.656 176.870 -0.331 0.000 1.058 359 L CA -0.458 54.282 54.840 -0.166 0.000 0.803 359 L CB 0.313 42.346 42.059 -0.042 0.000 1.212 359 L HN 0.439 nan 8.230 nan 0.000 0.451 360 I N 1.862 122.326 120.570 -0.177 0.000 2.291 360 I HA 0.344 4.534 4.170 0.033 0.000 0.290 360 I C -2.066 174.039 176.117 -0.020 0.000 1.050 360 I CA -1.604 59.637 61.300 -0.098 0.000 1.245 360 I CB 0.812 38.783 38.000 -0.048 0.000 1.405 360 I HN 0.452 nan 8.210 nan 0.000 0.478 361 P HA 0.063 nan 4.420 nan 0.000 0.268 361 P C 0.303 177.644 177.300 0.067 0.000 1.204 361 P CA -0.041 63.077 63.100 0.031 0.000 0.768 361 P CB 0.669 32.377 31.700 0.014 0.000 0.842 362 E N 1.625 121.878 120.200 0.089 0.000 2.204 362 E HA -0.181 4.189 4.350 0.033 0.000 0.194 362 E C 1.359 177.999 176.600 0.068 0.000 0.989 362 E CA 0.777 57.221 56.400 0.074 0.000 0.824 362 E CB -0.022 29.725 29.700 0.078 0.000 0.756 362 E HN 0.512 nan 8.360 nan 0.000 0.477 363 E N 0.512 120.754 120.200 0.069 0.000 2.204 363 E HA -0.142 4.228 4.350 0.033 0.000 0.195 363 E C 2.073 178.727 176.600 0.090 0.000 0.990 363 E CA 0.740 57.181 56.400 0.068 0.000 0.821 363 E CB 0.067 29.802 29.700 0.058 0.000 0.750 363 E HN 0.366 nan 8.360 nan 0.000 0.477 364 L N -0.354 120.936 121.223 0.111 0.000 2.145 364 L HA 0.041 4.400 4.340 0.033 0.000 0.201 364 L C 0.711 177.681 176.870 0.166 0.000 1.075 364 L CA 0.475 55.418 54.840 0.171 0.000 0.773 364 L CB 0.354 42.560 42.059 0.245 0.000 0.936 364 L HN -0.197 nan 8.230 nan 0.000 0.451 365 V N 1.675 121.654 119.914 0.109 0.000 2.419 365 V HA 0.320 4.460 4.120 0.033 0.000 0.287 365 V C -2.302 173.828 176.094 0.060 0.000 1.017 365 V CA -1.459 60.898 62.300 0.095 0.000 0.844 365 V CB 1.534 33.398 31.823 0.067 0.000 1.011 365 V HN -0.017 nan 8.190 nan 0.000 0.429 366 P HA 0.206 nan 4.420 nan 0.000 0.274 366 P C -0.365 176.933 177.300 -0.003 0.000 1.237 366 P CA -0.117 62.999 63.100 0.028 0.000 0.793 366 P CB 1.376 33.098 31.700 0.037 0.000 0.977 367 V N 2.725 122.605 119.914 -0.056 0.000 2.427 367 V HA 0.081 4.220 4.120 0.033 0.000 0.268 367 V C 0.938 177.016 176.094 -0.025 0.000 1.046 367 V CA 0.040 62.272 62.300 -0.114 0.000 0.970 367 V CB 0.118 31.785 31.823 -0.260 0.000 1.001 367 V HN 0.552 nan 8.190 nan 0.000 0.476 368 Q N 5.908 125.716 119.800 0.012 0.000 2.295 368 Q HA 0.279 4.639 4.340 0.033 0.000 0.259 368 Q C -0.115 175.865 176.000 -0.033 0.000 0.976 368 Q CA -0.515 55.296 55.803 0.014 0.000 0.923 368 Q CB 0.555 29.316 28.738 0.039 0.000 1.185 368 Q HN 0.643 nan 8.270 nan 0.000 0.410 369 R N 3.015 123.525 120.500 0.017 0.000 2.316 369 R HA 0.129 4.488 4.340 0.033 0.000 0.314 369 R C 0.159 176.462 176.300 0.005 0.000 1.069 369 R CA -0.295 55.836 56.100 0.052 0.000 0.959 369 R CB 0.983 31.407 30.300 0.206 0.000 0.987 369 R HN 0.503 nan 8.270 nan 0.000 0.446 370 V N 1.535 121.305 119.914 -0.240 0.000 3.572 370 V HA 0.297 4.437 4.120 0.033 0.000 0.260 370 V C 0.676 176.447 176.094 -0.538 0.000 1.324 370 V CA 0.974 63.045 62.300 -0.381 0.000 1.068 370 V CB 1.119 32.471 31.823 -0.786 0.000 0.837 370 V HN 1.035 nan 8.190 nan 0.000 0.450 371 G N -0.206 108.095 108.800 -0.831 0.000 2.349 371 G HA2 0.469 4.448 3.960 0.033 0.000 0.294 371 G HA3 0.469 4.448 3.960 0.033 0.000 0.294 371 G C -1.805 172.738 174.900 -0.595 0.000 1.380 371 G CA -0.577 43.900 45.100 -1.039 0.000 0.811 371 G HN 0.022 nan 8.290 nan 0.000 0.519 372 K N -0.364 119.791 120.400 -0.407 0.000 2.427 372 K HA 0.712 5.051 4.320 0.033 0.000 0.252 372 K C -0.773 175.900 176.600 0.122 0.000 0.931 372 K CA -0.796 55.523 56.287 0.054 0.000 0.793 372 K CB 2.059 34.631 32.500 0.121 0.000 1.211 372 K HN 0.639 nan 8.250 nan 0.000 0.426 373 M N 4.679 124.481 119.600 0.336 0.000 2.364 373 M HA 0.439 4.939 4.480 0.033 0.000 0.334 373 M C -1.699 174.588 176.300 -0.022 0.000 1.107 373 M CA -0.721 54.696 55.300 0.195 0.000 0.988 373 M CB 1.643 34.356 32.600 0.188 0.000 1.673 373 M HN 0.359 nan 8.290 nan 0.000 0.441 374 V N 6.329 126.066 119.914 -0.295 0.000 2.531 374 V HA 0.416 4.555 4.120 0.033 0.000 0.301 374 V C -0.567 175.400 176.094 -0.211 0.000 1.034 374 V CA -0.711 61.434 62.300 -0.258 0.000 0.865 374 V CB 1.769 33.318 31.823 -0.456 0.000 0.995 374 V HN 0.817 nan 8.190 nan 0.000 0.424 375 L N 5.594 126.776 121.223 -0.067 0.000 2.259 375 L HA 0.470 4.830 4.340 0.033 0.000 0.288 375 L C 0.537 177.308 176.870 -0.165 0.000 1.051 375 L CA -0.266 54.532 54.840 -0.071 0.000 0.824 375 L CB 0.793 42.860 42.059 0.013 0.000 1.206 375 L HN 0.876 nan 8.230 nan 0.000 0.429 376 N N 2.541 121.054 118.700 -0.311 0.000 2.160 376 N HA 0.126 4.885 4.740 0.033 0.000 0.226 376 N C -0.013 175.298 175.510 -0.332 0.000 1.256 376 N CA -0.374 52.228 53.050 -0.747 0.000 0.890 376 N CB 0.779 38.549 38.487 -1.195 0.000 1.116 376 N HN 0.455 nan 8.380 nan 0.000 0.517 377 R N 0.332 120.753 120.500 -0.132 0.000 2.522 377 R HA 0.284 4.644 4.340 0.033 0.000 0.273 377 R C -1.287 174.967 176.300 -0.076 0.000 1.133 377 R CA -0.536 55.512 56.100 -0.087 0.000 0.969 377 R CB 1.200 31.462 30.300 -0.064 0.000 1.235 377 R HN 0.059 nan 8.270 nan 0.000 0.433 378 N N 3.377 121.908 118.700 -0.282 0.000 2.424 378 N HA 0.256 5.016 4.740 0.033 0.000 0.257 378 N C -2.253 173.182 175.510 -0.124 0.000 1.250 378 N CA -1.127 51.610 53.050 -0.522 0.000 0.946 378 N CB 0.478 38.002 38.487 -1.605 0.000 1.175 378 N HN 0.332 nan 8.380 nan 0.000 0.477 379 P HA 0.085 nan 4.420 nan 0.000 0.272 379 P C 0.131 177.606 177.300 0.291 0.000 1.254 379 P CA -0.058 63.221 63.100 0.298 0.000 0.795 379 P CB 0.974 32.898 31.700 0.374 0.000 1.022 380 D N -1.102 119.446 120.400 0.248 0.000 2.197 380 D HA -0.021 4.638 4.640 0.033 0.000 0.212 380 D C 0.453 176.928 176.300 0.292 0.000 0.963 380 D CA 1.336 55.482 54.000 0.243 0.000 0.864 380 D CB 0.163 41.047 40.800 0.139 0.000 1.009 380 D HN 0.388 nan 8.370 nan 0.000 0.479 381 N N -0.123 118.738 118.700 0.269 0.000 2.461 381 N HA 0.008 4.768 4.740 0.033 0.000 0.284 381 N C 0.066 175.782 175.510 0.343 0.000 1.049 381 N CA -0.326 52.897 53.050 0.288 0.000 0.889 381 N CB 1.494 40.116 38.487 0.226 0.000 1.365 381 N HN -0.157 nan 8.380 nan 0.000 0.499 382 F N 4.511 124.617 119.950 0.260 0.000 2.095 382 F HA -0.172 4.374 4.527 0.032 0.000 0.298 382 F C 1.687 177.624 175.800 0.228 0.000 1.104 382 F CA 1.531 59.688 58.000 0.262 0.000 1.232 382 F CB -0.146 38.985 39.000 0.218 0.000 0.987 382 F HN 0.601 nan 8.300 nan 0.000 0.475 383 F N 0.870 121.063 119.950 0.406 0.000 2.102 383 F HA -0.143 4.405 4.527 0.035 0.000 0.298 383 F C 2.276 178.132 175.800 0.093 0.000 1.105 383 F CA 1.781 59.935 58.000 0.256 0.000 1.239 383 F CB -0.901 38.224 39.000 0.207 0.000 0.991 383 F HN 0.000 nan 8.300 nan 0.000 0.474 384 A N -0.354 122.612 122.820 0.244 0.000 1.930 384 A HA -0.137 4.202 4.320 0.033 0.000 0.217 384 A C 2.079 179.601 177.584 -0.104 0.000 1.175 384 A CA 1.919 54.008 52.037 0.085 0.000 0.627 384 A CB -0.627 18.472 19.000 0.164 0.000 0.815 384 A HN 0.589 nan 8.150 nan 0.000 0.443 385 E N -1.348 118.799 120.200 -0.088 0.000 2.162 385 E HA -0.057 4.312 4.350 0.033 0.000 0.193 385 E C 1.910 178.412 176.600 -0.163 0.000 0.953 385 E CA 0.495 56.773 56.400 -0.203 0.000 0.849 385 E CB -0.076 29.544 29.700 -0.133 0.000 0.810 385 E HN 0.571 nan 8.360 nan 0.000 0.470 386 N N 1.186 119.786 118.700 -0.166 0.000 2.258 386 N HA -0.139 4.621 4.740 0.033 0.000 0.183 386 N C 1.796 177.130 175.510 -0.293 0.000 1.029 386 N CA 1.223 54.135 53.050 -0.230 0.000 0.857 386 N CB 0.149 38.115 38.487 -0.867 0.000 1.008 386 N HN -0.072 nan 8.380 nan 0.000 0.433 387 E N 0.893 120.848 120.200 -0.407 0.000 2.077 387 E HA -0.072 4.298 4.350 0.033 0.000 0.193 387 E C 1.670 178.080 176.600 -0.318 0.000 0.989 387 E CA 1.451 57.685 56.400 -0.276 0.000 0.800 387 E CB -0.158 29.387 29.700 -0.257 0.000 0.746 387 E HN 0.474 nan 8.360 nan 0.000 0.452 388 Q N -0.238 119.302 119.800 -0.433 0.000 2.451 388 Q HA 0.226 4.586 4.340 0.033 0.000 0.206 388 Q C 0.035 175.918 176.000 -0.194 0.000 0.947 388 Q CA 0.233 55.837 55.803 -0.332 0.000 0.937 388 Q CB 0.349 28.871 28.738 -0.361 0.000 1.025 388 Q HN 0.222 nan 8.270 nan 0.000 0.511 389 A N 1.160 123.890 122.820 -0.150 0.000 2.511 389 A HA 0.418 4.757 4.320 0.033 0.000 0.242 389 A C -0.122 177.366 177.584 -0.159 0.000 1.069 389 A CA 0.260 52.198 52.037 -0.165 0.000 0.763 389 A CB 0.204 19.202 19.000 -0.003 0.000 1.001 389 A HN 0.274 nan 8.150 nan 0.000 0.498 390 A N 2.527 125.192 122.820 -0.259 0.000 2.311 390 A HA 0.708 5.047 4.320 0.033 0.000 0.306 390 A C -0.765 176.701 177.584 -0.197 0.000 1.189 390 A CA -0.407 51.544 52.037 -0.142 0.000 0.791 390 A CB 0.311 19.227 19.000 -0.141 0.000 1.172 390 A HN 0.648 nan 8.150 nan 0.000 0.481 391 F N 0.884 120.842 119.950 0.013 0.000 2.492 391 F HA 0.662 5.203 4.527 0.024 0.000 0.327 391 F C 0.306 176.083 175.800 -0.038 0.000 1.079 391 F CA -0.124 57.860 58.000 -0.026 0.000 0.967 391 F CB 2.087 41.015 39.000 -0.120 0.000 1.169 391 F HN 0.749 nan 8.300 nan 0.000 0.472 392 H N 3.108 122.047 119.070 -0.218 0.000 3.099 392 H HA 0.265 4.832 4.556 0.017 0.000 0.342 392 H C -2.431 172.537 175.328 -0.600 0.000 1.054 392 H CA -1.732 53.961 56.048 -0.593 0.000 1.328 392 H CB 2.664 32.012 29.762 -0.691 0.000 1.876 392 H HN 0.188 nan 8.280 nan 0.000 0.495 393 P HA -0.028 nan 4.420 nan 0.000 0.228 393 P C 1.082 178.265 177.300 -0.195 0.000 1.151 393 P CA 1.348 64.127 63.100 -0.536 0.000 0.770 393 P CB 0.122 31.541 31.700 -0.469 0.000 0.786 394 G N -1.159 107.353 108.800 -0.481 0.000 2.744 394 G HA2 -0.131 3.849 3.960 0.033 0.000 0.211 394 G HA3 -0.131 3.849 3.960 0.033 0.000 0.211 394 G C 0.431 175.564 174.900 0.389 0.000 1.143 394 G CA -0.080 45.118 45.100 0.163 0.000 0.788 394 G HN 0.438 nan 8.290 nan 0.000 0.534 395 H N 0.884 120.084 119.070 0.216 0.000 3.216 395 H HA 0.311 4.892 4.556 0.041 0.000 0.263 395 H C 0.620 176.062 175.328 0.191 0.000 1.601 395 H CA -0.711 55.434 56.048 0.162 0.000 1.509 395 H CB -0.141 29.685 29.762 0.106 0.000 1.759 395 H HN 0.381 nan 8.280 nan 0.000 0.533 396 I N -0.504 120.190 120.570 0.208 0.000 3.217 396 I HA 0.691 4.880 4.170 0.033 0.000 0.308 396 I C -0.146 175.943 176.117 -0.045 0.000 1.091 396 I CA -1.409 59.920 61.300 0.047 0.000 1.013 396 I CB 1.912 39.830 38.000 -0.136 0.000 1.250 396 I HN 0.102 nan 8.210 nan 0.000 0.496 397 V N -2.185 117.676 119.914 -0.088 0.000 3.102 397 V HA 0.673 4.813 4.120 0.033 0.000 0.312 397 V C -2.847 173.336 176.094 0.149 0.000 1.135 397 V CA -2.531 59.787 62.300 0.030 0.000 1.022 397 V CB 0.985 32.810 31.823 0.004 0.000 1.056 397 V HN 0.636 nan 8.190 nan 0.000 0.436 398 P HA 0.382 nan 4.420 nan 0.000 0.265 398 P C 0.906 178.195 177.300 -0.018 0.000 1.193 398 P CA 1.894 65.059 63.100 0.109 0.000 0.765 398 P CB 0.743 32.489 31.700 0.076 0.000 0.823 399 G N 1.515 110.257 108.800 -0.097 0.000 2.218 399 G HA2 -0.165 3.814 3.960 0.033 0.000 0.216 399 G HA3 -0.165 3.814 3.960 0.033 0.000 0.216 399 G C -0.251 174.553 174.900 -0.160 0.000 0.994 399 G CA -0.390 44.635 45.100 -0.125 0.000 0.637 399 G HN 0.454 nan 8.290 nan 0.000 0.505 400 L N -0.040 121.099 121.223 -0.141 0.000 2.333 400 L HA 0.905 5.264 4.340 0.033 0.000 0.263 400 L C -0.605 176.196 176.870 -0.115 0.000 1.014 400 L CA -1.049 53.686 54.840 -0.174 0.000 0.820 400 L CB 2.186 44.065 42.059 -0.299 0.000 1.352 400 L HN 0.115 nan 8.230 nan 0.000 0.421 401 D N -0.706 119.611 120.400 -0.138 0.000 2.665 401 D HA 0.438 5.097 4.640 0.033 0.000 0.287 401 D C -1.257 174.950 176.300 -0.154 0.000 1.266 401 D CA -0.353 53.520 54.000 -0.210 0.000 0.830 401 D CB 1.930 42.679 40.800 -0.085 0.000 1.356 401 D HN 0.112 nan 8.370 nan 0.000 0.437 402 F N -0.163 119.910 119.950 0.204 0.000 2.291 402 F HA 0.503 5.059 4.527 0.048 0.000 0.305 402 F C 1.514 177.324 175.800 0.017 0.000 1.171 402 F CA -0.180 57.863 58.000 0.071 0.000 1.090 402 F CB 1.129 40.150 39.000 0.035 0.000 1.436 402 F HN 0.222 nan 8.300 nan 0.000 0.509 403 T N -3.246 111.401 114.554 0.156 0.000 2.742 403 T HA 0.301 4.670 4.350 0.033 0.000 0.282 403 T C -0.084 174.657 174.700 0.068 0.000 1.025 403 T CA -0.972 61.208 62.100 0.133 0.000 1.020 403 T CB 1.146 70.077 68.868 0.105 0.000 1.317 403 T HN 0.326 nan 8.240 nan 0.000 0.538 404 N N 1.193 119.940 118.700 0.078 0.000 2.449 404 N HA 0.061 4.821 4.740 0.033 0.000 0.191 404 N C 0.029 175.558 175.510 0.031 0.000 1.161 404 N CA 0.074 53.154 53.050 0.049 0.000 0.863 404 N CB -0.436 38.098 38.487 0.078 0.000 0.980 404 N HN 0.679 nan 8.380 nan 0.000 0.458 405 D N 2.246 122.646 120.400 0.000 0.000 2.662 405 D HA -0.081 4.579 4.640 0.033 0.000 0.237 405 D C -1.345 174.960 176.300 0.009 0.000 1.154 405 D CA -0.865 53.153 54.000 0.030 0.000 0.861 405 D CB 1.237 41.999 40.800 -0.064 0.000 1.146 405 D HN 0.163 nan 8.370 nan 0.000 0.518 406 P HA -0.114 nan 4.420 nan 0.000 0.229 406 P C 1.615 178.938 177.300 0.038 0.000 1.160 406 P CA 0.111 63.241 63.100 0.049 0.000 0.777 406 P CB 0.444 32.179 31.700 0.057 0.000 0.814 407 L N -0.217 121.047 121.223 0.069 0.000 2.044 407 L HA -0.049 4.310 4.340 0.033 0.000 0.205 407 L C 2.417 179.205 176.870 -0.136 0.000 1.075 407 L CA 1.358 56.223 54.840 0.042 0.000 0.747 407 L CB -1.588 40.573 42.059 0.171 0.000 0.903 407 L HN -0.148 nan 8.230 nan 0.000 0.435 408 L N -0.639 120.345 121.223 -0.398 0.000 2.042 408 L HA -0.221 4.138 4.340 0.033 0.000 0.210 408 L C 2.462 179.090 176.870 -0.402 0.000 1.076 408 L CA 1.761 56.170 54.840 -0.717 0.000 0.749 408 L CB -0.967 40.459 42.059 -1.055 0.000 0.893 408 L HN 0.376 nan 8.230 nan 0.000 0.432 409 Q N -0.161 119.473 119.800 -0.277 0.000 2.077 409 Q HA -0.186 4.173 4.340 0.033 0.000 0.206 409 Q C 2.094 178.013 176.000 -0.134 0.000 0.989 409 Q CA 1.885 57.565 55.803 -0.206 0.000 0.853 409 Q CB -0.842 27.827 28.738 -0.115 0.000 0.907 409 Q HN 0.707 nan 8.270 nan 0.000 0.418 410 G N 0.520 109.269 108.800 -0.084 0.000 2.403 410 G HA2 -0.219 3.761 3.960 0.033 0.000 0.216 410 G HA3 -0.219 3.761 3.960 0.033 0.000 0.216 410 G C 1.508 176.419 174.900 0.019 0.000 1.154 410 G CA 0.290 45.385 45.100 -0.009 0.000 0.784 410 G HN 0.254 nan 8.290 nan 0.000 0.538 411 R N -0.097 120.364 120.500 -0.066 0.000 2.117 411 R HA -0.029 4.330 4.340 0.033 0.000 0.243 411 R C 2.513 178.899 176.300 0.144 0.000 1.143 411 R CA 1.049 57.170 56.100 0.035 0.000 0.968 411 R CB -0.485 29.794 30.300 -0.035 0.000 0.863 411 R HN 0.345 nan 8.270 nan 0.000 0.444 412 L N -0.552 120.659 121.223 -0.020 0.000 2.131 412 L HA -0.197 4.162 4.340 0.033 0.000 0.210 412 L C 2.276 179.288 176.870 0.237 0.000 1.092 412 L CA 1.068 55.915 54.840 0.011 0.000 0.759 412 L CB -0.436 41.472 42.059 -0.252 0.000 0.903 412 L HN 0.163 nan 8.230 nan 0.000 0.435 413 F N 0.116 120.098 119.950 0.054 0.000 2.128 413 F HA -0.190 4.311 4.527 -0.043 0.000 0.295 413 F C 2.803 178.632 175.800 0.049 0.000 1.100 413 F CA 1.638 59.660 58.000 0.036 0.000 1.260 413 F CB -0.253 38.749 39.000 0.003 0.000 1.009 413 F HN -0.065 nan 8.300 nan 0.000 0.476 414 S N -0.854 114.859 115.700 0.022 0.000 2.368 414 S HA -0.205 4.285 4.470 0.033 0.000 0.224 414 S C 2.005 176.467 174.600 -0.229 0.000 1.029 414 S CA 1.310 59.404 58.200 -0.175 0.000 0.988 414 S CB -0.770 62.337 63.200 -0.155 0.000 0.838 414 S HN 0.525 nan 8.310 nan 0.000 0.462 415 Y N 1.376 121.684 120.300 0.014 0.000 2.509 415 Y HA 0.016 4.618 4.550 0.086 0.000 0.293 415 Y C 2.748 178.301 175.900 -0.580 0.000 1.133 415 Y CA 1.109 59.223 58.100 0.023 0.000 1.283 415 Y CB -0.342 39.108 38.460 1.650 0.000 1.001 415 Y HN 0.279 nan 8.280 nan 0.000 0.555 416 T N -0.961 113.201 114.554 -0.653 0.000 2.901 416 T HA -0.135 4.235 4.350 0.033 0.000 0.252 416 T C 1.420 175.902 174.700 -0.364 0.000 1.035 416 T CA 1.320 63.135 62.100 -0.476 0.000 1.142 416 T CB -0.311 68.336 68.868 -0.368 0.000 0.869 416 T HN 0.301 nan 8.240 nan 0.000 0.442 417 D N 0.975 121.097 120.400 -0.464 0.000 2.116 417 D HA -0.137 4.522 4.640 0.033 0.000 0.193 417 D C 2.222 178.354 176.300 -0.281 0.000 0.998 417 D CA 1.680 55.428 54.000 -0.421 0.000 0.836 417 D CB -0.480 39.870 40.800 -0.750 0.000 0.951 417 D HN 0.243 nan 8.370 nan 0.000 0.449 418 T N -1.030 113.349 114.554 -0.290 0.000 2.929 418 T HA -0.132 4.238 4.350 0.033 0.000 0.271 418 T C 1.590 176.163 174.700 -0.213 0.000 1.085 418 T CA 1.146 63.122 62.100 -0.208 0.000 1.125 418 T CB -0.216 68.528 68.868 -0.207 0.000 0.874 418 T HN 0.174 nan 8.240 nan 0.000 0.494 419 Q N 0.600 120.201 119.800 -0.332 0.000 2.291 419 Q HA 0.013 4.373 4.340 0.033 0.000 0.205 419 Q C 2.227 178.114 176.000 -0.188 0.000 0.970 419 Q CA 0.636 56.190 55.803 -0.415 0.000 0.876 419 Q CB -0.398 27.689 28.738 -1.085 0.000 0.935 419 Q HN 0.509 nan 8.270 nan 0.000 0.455 420 I N 1.282 121.795 120.570 -0.095 0.000 2.264 420 I HA -0.221 3.969 4.170 0.033 0.000 0.248 420 I C 2.343 178.470 176.117 0.017 0.000 1.111 420 I CA 1.753 63.061 61.300 0.013 0.000 1.382 420 I CB -1.398 36.611 38.000 0.015 0.000 1.060 420 I HN 0.195 nan 8.210 nan 0.000 0.418 421 S N 0.348 116.040 115.700 -0.013 0.000 2.404 421 S HA -0.075 4.414 4.470 0.033 0.000 0.223 421 S C 2.163 176.765 174.600 0.002 0.000 1.040 421 S CA 0.211 58.416 58.200 0.008 0.000 0.957 421 S CB -0.409 62.795 63.200 0.006 0.000 0.826 421 S HN 0.306 nan 8.310 nan 0.000 0.491 422 R N 0.988 121.466 120.500 -0.036 0.000 2.091 422 R HA 0.121 4.481 4.340 0.033 0.000 0.238 422 R C 1.395 177.678 176.300 -0.028 0.000 1.136 422 R CA 1.494 57.571 56.100 -0.037 0.000 0.959 422 R CB -0.256 29.998 30.300 -0.077 0.000 0.856 422 R HN 0.447 nan 8.270 nan 0.000 0.437 423 L N -0.979 120.219 121.223 -0.042 0.000 2.857 423 L HA 0.322 4.681 4.340 0.033 0.000 0.249 423 L C 0.867 177.773 176.870 0.060 0.000 1.172 423 L CA 0.331 55.164 54.840 -0.011 0.000 0.980 423 L CB 1.129 43.172 42.059 -0.026 0.000 1.299 423 L HN 0.595 nan 8.230 nan 0.000 0.535 424 G N 0.018 108.873 108.800 0.091 0.000 2.176 424 G HA2 -0.131 3.849 3.960 0.033 0.000 0.253 424 G HA3 -0.131 3.849 3.960 0.033 0.000 0.253 424 G C 0.454 175.491 174.900 0.229 0.000 0.979 424 G CA -0.046 45.165 45.100 0.184 0.000 0.641 424 G HN 0.788 nan 8.290 nan 0.000 0.530 425 G N -1.541 107.383 108.800 0.207 0.000 2.359 425 G HA2 0.598 4.578 3.960 0.033 0.000 0.293 425 G HA3 0.598 4.578 3.960 0.033 0.000 0.293 425 G C -2.196 172.868 174.900 0.274 0.000 1.300 425 G CA 0.385 45.605 45.100 0.199 0.000 0.888 425 G HN 0.481 nan 8.290 nan 0.000 0.541 426 P HA 0.109 nan 4.420 nan 0.000 0.249 426 P C 0.266 177.578 177.300 0.020 0.000 1.229 426 P CA 0.297 63.500 63.100 0.172 0.000 0.788 426 P CB 0.198 31.955 31.700 0.095 0.000 1.072 427 N N 0.571 119.301 118.700 0.049 0.000 2.389 427 N HA 0.050 4.810 4.740 0.033 0.000 0.237 427 N C 1.013 176.400 175.510 -0.205 0.000 1.148 427 N CA -0.140 52.845 53.050 -0.107 0.000 0.854 427 N CB -0.653 37.800 38.487 -0.056 0.000 1.115 427 N HN 0.288 nan 8.380 nan 0.000 0.492 428 F N 0.749 120.701 119.950 0.003 0.000 2.365 428 F HA -0.060 4.497 4.527 0.051 0.000 0.300 428 F C 2.264 178.005 175.800 -0.098 0.000 1.090 428 F CA 0.695 58.661 58.000 -0.057 0.000 1.408 428 F CB -0.774 38.209 39.000 -0.029 0.000 1.060 428 F HN 0.164 nan 8.300 nan 0.000 0.534 429 H N 0.716 119.410 119.070 -0.627 0.000 2.518 429 H HA -0.018 4.556 4.556 0.030 0.000 0.289 429 H C 0.839 176.005 175.328 -0.269 0.000 1.051 429 H CA 1.531 57.315 56.048 -0.440 0.000 1.280 429 H CB -0.830 28.540 29.762 -0.654 0.000 1.380 429 H HN 0.550 nan 8.280 nan 0.000 0.566 430 E N 0.909 120.671 120.200 -0.729 0.000 2.447 430 E HA 0.175 4.545 4.350 0.033 0.000 0.195 430 E C 0.399 176.877 176.600 -0.203 0.000 1.028 430 E CA -0.295 55.848 56.400 -0.429 0.000 0.876 430 E CB 0.473 29.937 29.700 -0.393 0.000 0.885 430 E HN 0.415 nan 8.360 nan 0.000 0.500 431 I N 3.003 123.478 120.570 -0.158 0.000 2.741 431 I HA -0.073 4.117 4.170 0.033 0.000 0.288 431 I C -1.557 174.499 176.117 -0.102 0.000 1.192 431 I CA -1.212 60.028 61.300 -0.100 0.000 1.426 431 I CB 0.457 38.413 38.000 -0.073 0.000 1.367 431 I HN -0.188 nan 8.210 nan 0.000 0.563 432 P HA -0.264 nan 4.420 nan 0.000 0.217 432 P C 1.759 178.985 177.300 -0.123 0.000 1.162 432 P CA 1.330 64.371 63.100 -0.100 0.000 0.901 432 P CB 0.153 31.799 31.700 -0.090 0.000 0.793 433 I N -0.751 119.720 120.570 -0.166 0.000 2.335 433 I HA -0.209 3.981 4.170 0.033 0.000 0.251 433 I C 1.350 177.400 176.117 -0.111 0.000 1.129 433 I CA 1.737 62.893 61.300 -0.240 0.000 1.402 433 I CB -0.750 36.987 38.000 -0.438 0.000 1.069 433 I HN -0.086 nan 8.210 nan 0.000 0.424 434 N N 0.555 119.203 118.700 -0.088 0.000 2.422 434 N HA 0.030 4.789 4.740 0.033 0.000 0.181 434 N C 0.348 175.868 175.510 0.017 0.000 1.080 434 N CA 0.197 53.224 53.050 -0.039 0.000 0.893 434 N CB -0.131 38.349 38.487 -0.011 0.000 0.973 434 N HN 0.373 nan 8.380 nan 0.000 0.456 435 R N 1.651 122.153 120.500 0.003 0.000 2.585 435 R HA 0.103 4.462 4.340 0.033 0.000 0.275 435 R C -2.189 174.176 176.300 0.108 0.000 1.018 435 R CA -1.039 55.066 56.100 0.009 0.000 1.072 435 R CB -0.158 30.132 30.300 -0.017 0.000 0.953 435 R HN 0.056 nan 8.270 nan 0.000 0.419 436 P HA -0.011 nan 4.420 nan 0.000 0.272 436 P C 0.555 177.936 177.300 0.135 0.000 1.223 436 P CA -0.043 63.144 63.100 0.144 0.000 0.784 436 P CB 0.699 32.440 31.700 0.069 0.000 0.923 437 T N -1.858 112.792 114.554 0.161 0.000 3.054 437 T HA 0.230 4.600 4.350 0.033 0.000 0.259 437 T C 0.959 175.710 174.700 0.085 0.000 1.092 437 T CA 0.108 62.254 62.100 0.076 0.000 1.121 437 T CB -0.379 68.518 68.868 0.049 0.000 0.912 437 T HN 0.470 nan 8.240 nan 0.000 0.489 438 A N 3.028 125.914 122.820 0.108 0.000 2.425 438 A HA 0.530 4.870 4.320 0.033 0.000 0.242 438 A C -2.208 175.435 177.584 0.099 0.000 1.077 438 A CA -1.261 50.836 52.037 0.099 0.000 0.781 438 A CB -0.447 18.615 19.000 0.102 0.000 1.020 438 A HN 0.271 nan 8.150 nan 0.000 0.494 439 P HA 0.296 nan 4.420 nan 0.000 0.268 439 P C -1.062 176.295 177.300 0.094 0.000 1.205 439 P CA 0.636 63.790 63.100 0.091 0.000 0.771 439 P CB 0.138 31.944 31.700 0.176 0.000 0.858 440 Y N 0.816 120.981 120.300 -0.224 0.000 2.386 440 Y HA 0.675 5.248 4.550 0.037 0.000 0.334 440 Y C -1.371 174.200 175.900 -0.548 0.000 1.002 440 Y CA -0.928 57.036 58.100 -0.227 0.000 1.068 440 Y CB 1.459 39.819 38.460 -0.168 0.000 1.203 440 Y HN 0.436 nan 8.280 nan 0.000 0.443 441 H N 3.821 122.762 119.070 -0.215 0.000 2.947 441 H HA 0.526 5.102 4.556 0.034 0.000 0.354 441 H C -1.185 174.012 175.328 -0.218 0.000 1.085 441 H CA -0.741 55.104 56.048 -0.339 0.000 1.253 441 H CB 1.660 31.274 29.762 -0.248 0.000 1.757 441 H HN 0.900 nan 8.280 nan 0.000 0.523 442 N N 0.483 119.073 118.700 -0.183 0.000 3.449 442 N HA 0.186 4.946 4.740 0.033 0.000 0.312 442 N C -1.212 174.062 175.510 -0.393 0.000 1.557 442 N CA -0.907 51.977 53.050 -0.276 0.000 0.864 442 N CB 0.749 39.231 38.487 -0.009 0.000 1.799 442 N HN 0.303 nan 8.380 nan 0.000 0.554 443 F N -0.391 119.598 119.950 0.065 0.000 2.639 443 F HA 0.375 4.920 4.527 0.031 0.000 0.302 443 F C 0.419 176.258 175.800 0.066 0.000 1.097 443 F CA -0.382 57.649 58.000 0.052 0.000 1.294 443 F CB 0.316 39.338 39.000 0.036 0.000 1.027 443 F HN 0.128 nan 8.300 nan 0.000 0.550 444 Q N 1.617 121.519 119.800 0.171 0.000 2.327 444 Q HA 0.410 4.770 4.340 0.033 0.000 0.254 444 Q C 0.029 176.103 176.000 0.125 0.000 0.952 444 Q CA -0.032 55.852 55.803 0.135 0.000 0.884 444 Q CB 1.065 29.859 28.738 0.093 0.000 1.224 444 Q HN 0.104 nan 8.270 nan 0.000 0.422 445 R N 1.718 122.284 120.500 0.110 0.000 2.774 445 R HA 0.365 4.725 4.340 0.033 0.000 0.272 445 R C -0.714 175.631 176.300 0.075 0.000 1.000 445 R CA -0.639 55.518 56.100 0.095 0.000 0.906 445 R CB 1.288 31.646 30.300 0.098 0.000 1.227 445 R HN 0.727 nan 8.270 nan 0.000 0.468 446 D N -0.239 120.198 120.400 0.062 0.000 3.496 446 D HA -0.150 4.509 4.640 0.033 0.000 0.238 446 D C 0.329 176.653 176.300 0.040 0.000 1.707 446 D CA 1.897 55.923 54.000 0.043 0.000 1.150 446 D CB -1.040 39.782 40.800 0.038 0.000 0.759 446 D HN 0.902 nan 8.370 nan 0.000 0.936 447 G N -1.275 107.541 108.800 0.026 0.000 2.712 447 G HA2 0.206 4.185 3.960 0.033 0.000 0.686 447 G HA3 0.206 4.185 3.960 0.033 0.000 0.686 447 G C -0.227 174.665 174.900 -0.013 0.000 1.321 447 G CA 0.079 45.191 45.100 0.020 0.000 0.813 447 G HN 0.818 nan 8.290 nan 0.000 0.599 448 M N 1.345 120.914 119.600 -0.052 0.000 2.252 448 M HA 0.446 4.946 4.480 0.033 0.000 0.329 448 M C 1.289 177.493 176.300 -0.160 0.000 1.101 448 M CA 1.548 56.718 55.300 -0.216 0.000 1.117 448 M CB -0.668 31.725 32.600 -0.345 0.000 1.563 448 M HN 1.307 nan 8.290 nan 0.000 0.445 449 H N -0.673 118.402 119.070 0.008 0.000 2.903 449 H HA -0.165 4.409 4.556 0.030 0.000 0.285 449 H C -0.483 174.837 175.328 -0.014 0.000 1.231 449 H CA 0.550 56.598 56.048 0.001 0.000 1.135 449 H CB -1.596 28.169 29.762 0.004 0.000 1.328 449 H HN 0.585 nan 8.280 nan 0.000 0.388 450 R N 1.487 122.017 120.500 0.050 0.000 2.351 450 R HA 0.123 4.483 4.340 0.033 0.000 0.318 450 R C 0.937 177.252 176.300 0.025 0.000 1.055 450 R CA -0.039 56.080 56.100 0.031 0.000 0.968 450 R CB 0.326 30.642 30.300 0.026 0.000 0.974 450 R HN 0.273 nan 8.270 nan 0.000 0.439 451 M N 2.475 122.079 119.600 0.005 0.000 2.412 451 M HA 0.220 4.719 4.480 0.033 0.000 0.263 451 M C 0.994 177.295 176.300 0.001 0.000 1.122 451 M CA 0.996 56.295 55.300 -0.001 0.000 1.179 451 M CB -0.848 31.737 32.600 -0.025 0.000 1.335 451 M HN 0.681 nan 8.290 nan 0.000 0.465 452 G N 1.862 110.666 108.800 0.008 0.000 2.398 452 G HA2 0.409 4.389 3.960 0.033 0.000 0.246 452 G HA3 0.409 4.389 3.960 0.033 0.000 0.246 452 G C -0.406 174.498 174.900 0.006 0.000 1.289 452 G CA -0.383 44.721 45.100 0.006 0.000 0.869 452 G HN 0.314 nan 8.290 nan 0.000 0.543 453 I N 2.647 123.214 120.570 -0.006 0.000 2.330 453 I HA 0.118 4.307 4.170 0.033 0.000 0.286 453 I C -0.374 175.740 176.117 -0.005 0.000 1.025 453 I CA -0.599 60.701 61.300 0.001 0.000 1.197 453 I CB 1.184 39.184 38.000 0.000 0.000 1.358 453 I HN 0.346 nan 8.210 nan 0.000 0.467 454 D N 4.869 125.272 120.400 0.004 0.000 2.348 454 D HA 0.068 4.727 4.640 0.033 0.000 0.253 454 D C 1.203 177.509 176.300 0.010 0.000 1.161 454 D CA 0.239 54.239 54.000 0.001 0.000 0.876 454 D CB 1.846 42.655 40.800 0.014 0.000 1.160 454 D HN 0.577 nan 8.370 nan 0.000 0.459 455 T N -0.668 113.888 114.554 0.002 0.000 3.086 455 T HA -0.059 4.310 4.350 0.033 0.000 0.250 455 T C 0.840 175.552 174.700 0.020 0.000 1.074 455 T CA -0.540 61.566 62.100 0.009 0.000 0.988 455 T CB 0.142 69.008 68.868 -0.003 0.000 0.988 455 T HN 0.109 nan 8.240 nan 0.000 0.530 456 N N 3.304 122.018 118.700 0.024 0.000 2.411 456 N HA 0.096 4.855 4.740 0.033 0.000 0.261 456 N C -1.655 173.898 175.510 0.071 0.000 1.248 456 N CA -1.599 51.479 53.050 0.046 0.000 0.885 456 N CB 1.393 39.909 38.487 0.049 0.000 1.062 456 N HN 0.047 nan 8.380 nan 0.000 0.471 457 P HA -0.038 nan 4.420 nan 0.000 0.218 457 P C -0.564 176.799 177.300 0.104 0.000 1.148 457 P CA 1.017 64.165 63.100 0.079 0.000 0.822 457 P CB 0.177 31.919 31.700 0.069 0.000 0.784 458 A N 0.570 123.440 122.820 0.082 0.000 2.305 458 A HA 0.374 4.714 4.320 0.033 0.000 0.322 458 A C 0.519 178.191 177.584 0.147 0.000 1.187 458 A CA -0.625 51.402 52.037 -0.016 0.000 0.825 458 A CB -0.089 18.714 19.000 -0.329 0.000 1.164 458 A HN 0.285 nan 8.150 nan 0.000 0.498 459 N N 0.426 119.247 118.700 0.201 0.000 2.338 459 N HA 0.344 5.104 4.740 0.033 0.000 0.251 459 N C -0.819 174.822 175.510 0.218 0.000 1.199 459 N CA -0.363 52.881 53.050 0.324 0.000 0.879 459 N CB 0.280 38.923 38.487 0.261 0.000 1.159 459 N HN 0.686 nan 8.380 nan 0.000 0.514 460 Y N -1.006 119.145 120.300 -0.249 0.000 2.597 460 Y HA 0.680 5.249 4.550 0.032 0.000 0.340 460 Y C -1.428 173.863 175.900 -1.015 0.000 1.097 460 Y CA -1.374 56.426 58.100 -0.500 0.000 1.037 460 Y CB 1.029 39.360 38.460 -0.215 0.000 1.305 460 Y HN 0.080 nan 8.280 nan 0.000 0.463 461 E N 0.782 120.486 120.200 -0.826 0.000 2.383 461 E HA 0.655 5.024 4.350 0.033 0.000 0.275 461 E C -3.159 173.330 176.600 -0.185 0.000 0.918 461 E CA -2.106 53.921 56.400 -0.621 0.000 0.764 461 E CB 1.556 30.858 29.700 -0.663 0.000 1.252 461 E HN 0.549 nan 8.360 nan 0.000 0.449 462 P HA 0.250 nan 4.420 nan 0.000 0.271 462 P C -1.259 175.986 177.300 -0.092 0.000 1.216 462 P CA -0.380 62.650 63.100 -0.117 0.000 0.776 462 P CB 0.405 32.072 31.700 -0.054 0.000 0.881 463 N N -1.280 117.293 118.700 -0.211 0.000 2.262 463 N HA 0.355 5.115 4.740 0.033 0.000 0.295 463 N C 0.391 175.858 175.510 -0.072 0.000 1.161 463 N CA -0.765 52.184 53.050 -0.168 0.000 0.767 463 N CB 1.452 39.552 38.487 -0.645 0.000 1.499 463 N HN 0.191 nan 8.380 nan 0.000 0.476 464 S N 0.656 116.362 115.700 0.010 0.000 2.483 464 S HA -0.023 4.467 4.470 0.033 0.000 0.221 464 S C 1.579 176.195 174.600 0.026 0.000 1.030 464 S CA 0.106 58.313 58.200 0.012 0.000 0.925 464 S CB -0.808 62.410 63.200 0.030 0.000 0.795 464 S HN 0.713 nan 8.310 nan 0.000 0.511 465 I N -0.662 119.933 120.570 0.041 0.000 2.830 465 I HA 0.210 4.400 4.170 0.033 0.000 0.263 465 I C 1.274 177.425 176.117 0.056 0.000 1.230 465 I CA 1.258 62.592 61.300 0.058 0.000 1.480 465 I CB -0.395 37.659 38.000 0.090 0.000 1.095 465 I HN 0.171 nan 8.210 nan 0.000 0.455 466 N N 1.241 119.970 118.700 0.048 0.000 2.351 466 N HA 0.039 4.799 4.740 0.033 0.000 0.254 466 N C -0.081 175.539 175.510 0.183 0.000 1.241 466 N CA -0.081 53.039 53.050 0.116 0.000 0.883 466 N CB -0.062 38.505 38.487 0.133 0.000 1.202 466 N HN 0.184 nan 8.380 nan 0.000 0.512 467 D N 0.863 121.322 120.400 0.098 0.000 2.737 467 D HA -0.267 4.392 4.640 0.033 0.000 0.233 467 D C 0.015 176.213 176.300 -0.170 0.000 1.155 467 D CA 1.150 55.172 54.000 0.037 0.000 0.667 467 D CB -1.242 39.660 40.800 0.171 0.000 1.060 467 D HN 0.509 nan 8.370 nan 0.000 0.427 468 N N -1.819 116.804 118.700 -0.129 0.000 2.828 468 N HA -0.246 4.513 4.740 0.033 0.000 0.248 468 N C -0.802 174.617 175.510 -0.151 0.000 1.044 468 N CA 1.380 54.316 53.050 -0.189 0.000 0.851 468 N CB -1.345 36.986 38.487 -0.260 0.000 1.136 468 N HN 0.512 nan 8.380 nan 0.000 0.572 469 W N 1.391 122.742 121.300 0.084 0.000 2.313 469 W HA 0.419 5.098 4.660 0.032 0.000 0.328 469 W C -1.632 174.928 176.519 0.069 0.000 1.197 469 W CA -1.504 55.869 57.345 0.047 0.000 1.235 469 W CB 0.452 29.892 29.460 -0.034 0.000 1.158 469 W HN -0.020 nan 8.180 nan 0.000 0.578 470 P HA 0.176 nan 4.420 nan 0.000 0.275 470 P C -0.670 176.737 177.300 0.179 0.000 1.228 470 P CA -0.103 63.123 63.100 0.209 0.000 0.786 470 P CB 0.968 32.634 31.700 -0.056 0.000 0.927 471 R N 1.439 122.017 120.500 0.130 0.000 2.532 471 R HA 0.302 4.662 4.340 0.033 0.000 0.295 471 R C 0.400 176.715 176.300 0.024 0.000 0.968 471 R CA -0.806 55.248 56.100 -0.077 0.000 0.916 471 R CB 1.248 31.257 30.300 -0.486 0.000 1.124 471 R HN 0.498 nan 8.270 nan 0.000 0.463 472 E N 0.742 120.954 120.200 0.019 0.000 2.458 472 E HA -0.002 4.368 4.350 0.033 0.000 0.264 472 E C -0.492 176.125 176.600 0.030 0.000 1.097 472 E CA 0.734 57.158 56.400 0.041 0.000 0.973 472 E CB 0.533 30.250 29.700 0.029 0.000 0.963 472 E HN 0.377 nan 8.360 nan 0.000 0.451 473 T N 2.848 117.433 114.554 0.050 0.000 2.879 473 T HA 0.336 4.706 4.350 0.033 0.000 0.290 473 T C -2.472 172.250 174.700 0.038 0.000 0.993 473 T CA -1.522 60.606 62.100 0.048 0.000 0.975 473 T CB 1.532 70.441 68.868 0.068 0.000 0.981 473 T HN 0.220 nan 8.240 nan 0.000 0.439 474 P HA 0.202 nan 4.420 nan 0.000 0.269 474 P C -2.344 174.961 177.300 0.008 0.000 1.215 474 P CA -1.077 62.029 63.100 0.011 0.000 0.780 474 P CB -0.210 31.492 31.700 0.003 0.000 0.898 475 P HA 0.239 nan 4.420 nan 0.000 0.269 475 P C -0.114 177.172 177.300 -0.023 0.000 1.215 475 P CA 0.358 63.441 63.100 -0.029 0.000 0.780 475 P CB 0.784 32.444 31.700 -0.066 0.000 0.898 476 G N 1.124 109.909 108.800 -0.025 0.000 2.488 476 G HA2 0.382 4.361 3.960 0.033 0.000 0.301 476 G HA3 0.382 4.361 3.960 0.033 0.000 0.301 476 G C -2.578 172.310 174.900 -0.019 0.000 1.339 476 G CA -0.719 44.370 45.100 -0.017 0.000 0.803 476 G HN 0.171 nan 8.290 nan 0.000 0.482 477 P HA 0.098 nan 4.420 nan 0.000 0.229 477 P C 0.200 177.496 177.300 -0.007 0.000 1.160 477 P CA 1.092 64.183 63.100 -0.015 0.000 0.777 477 P CB 0.435 32.129 31.700 -0.011 0.000 0.814 478 K N -1.012 119.391 120.400 0.004 0.000 2.572 478 K HA 0.281 4.620 4.320 0.033 0.000 0.263 478 K C -0.350 176.267 176.600 0.028 0.000 0.932 478 K CA -0.719 55.579 56.287 0.017 0.000 0.838 478 K CB 1.135 33.645 32.500 0.018 0.000 1.366 478 K HN -0.412 nan 8.250 nan 0.000 0.425 479 R N -0.077 120.448 120.500 0.041 0.000 3.627 479 R HA -0.151 4.209 4.340 0.033 0.000 0.281 479 R C -0.176 176.155 176.300 0.051 0.000 1.140 479 R CA 1.112 57.243 56.100 0.052 0.000 0.761 479 R CB -2.327 28.003 30.300 0.050 0.000 1.181 479 R HN 0.830 nan 8.270 nan 0.000 0.472 480 G N -1.016 107.810 108.800 0.042 0.000 2.488 480 G HA2 0.628 4.607 3.960 0.033 0.000 0.318 480 G HA3 0.628 4.607 3.960 0.033 0.000 0.318 480 G C 0.372 175.307 174.900 0.058 0.000 1.188 480 G CA 0.047 45.170 45.100 0.038 0.000 0.944 480 G HN 0.266 nan 8.290 nan 0.000 0.495 481 G N -1.314 107.521 108.800 0.059 0.000 2.606 481 G HA2 0.409 4.389 3.960 0.033 0.000 0.252 481 G HA3 0.409 4.389 3.960 0.033 0.000 0.252 481 G C -0.786 174.172 174.900 0.095 0.000 1.206 481 G CA -0.539 44.618 45.100 0.096 0.000 0.861 481 G HN 0.456 nan 8.290 nan 0.000 0.561 482 F N 0.273 120.237 119.950 0.023 0.000 2.438 482 F HA 0.438 4.988 4.527 0.038 0.000 0.356 482 F C 0.445 176.258 175.800 0.021 0.000 1.099 482 F CA -0.461 57.547 58.000 0.015 0.000 1.185 482 F CB 1.056 40.068 39.000 0.020 0.000 1.115 482 F HN 0.439 nan 8.300 nan 0.000 0.526 483 E N 4.166 124.014 120.200 -0.587 0.000 2.224 483 E HA 0.322 4.691 4.350 0.033 0.000 0.265 483 E C -1.075 175.194 176.600 -0.552 0.000 0.878 483 E CA -0.780 55.420 56.400 -0.333 0.000 0.759 483 E CB 1.491 31.078 29.700 -0.188 0.000 1.164 483 E HN 0.633 nan 8.360 nan 0.000 0.414 484 S N 2.628 118.229 115.700 -0.166 0.000 2.562 484 S HA -0.026 4.464 4.470 0.033 0.000 0.281 484 S C -0.496 174.077 174.600 -0.046 0.000 1.333 484 S CA -0.293 57.889 58.200 -0.031 0.000 1.052 484 S CB 0.114 63.425 63.200 0.185 0.000 0.884 484 S HN 0.475 nan 8.310 nan 0.000 0.506 485 Y N 2.423 122.650 120.300 -0.121 0.000 2.620 485 Y HA 0.008 4.577 4.550 0.031 0.000 0.330 485 Y C 0.854 176.728 175.900 -0.043 0.000 1.186 485 Y CA 0.087 58.126 58.100 -0.101 0.000 1.467 485 Y CB 0.203 38.599 38.460 -0.108 0.000 1.262 485 Y HN 0.591 nan 8.280 nan 0.000 0.550 486 Q N 5.184 124.550 119.800 -0.723 0.000 3.170 486 Q HA 0.031 4.391 4.340 0.033 0.000 0.346 486 Q C -0.241 175.463 176.000 -0.493 0.000 1.333 486 Q CA -0.092 55.443 55.803 -0.448 0.000 0.958 486 Q CB -0.149 28.399 28.738 -0.316 0.000 1.600 486 Q HN 0.659 nan 8.270 nan 0.000 0.482 487 E N 1.433 121.418 120.200 -0.358 0.000 2.452 487 E HA -0.025 4.344 4.350 0.033 0.000 0.261 487 E C -0.220 176.351 176.600 -0.047 0.000 0.987 487 E CA -0.288 56.045 56.400 -0.111 0.000 0.926 487 E CB 0.629 30.406 29.700 0.128 0.000 0.934 487 E HN 0.133 nan 8.360 nan 0.000 0.452 488 R N 3.020 123.516 120.500 -0.006 0.000 2.340 488 R HA 0.239 4.598 4.340 0.033 0.000 0.300 488 R C -1.473 174.850 176.300 0.039 0.000 1.069 488 R CA -0.289 55.815 56.100 0.006 0.000 0.984 488 R CB 0.948 31.258 30.300 0.017 0.000 1.003 488 R HN 0.278 nan 8.270 nan 0.000 0.459 489 V N 4.841 124.770 119.914 0.027 0.000 2.448 489 V HA 0.422 4.562 4.120 0.033 0.000 0.295 489 V C -0.529 175.579 176.094 0.023 0.000 1.025 489 V CA -0.589 61.732 62.300 0.034 0.000 0.859 489 V CB 1.619 33.459 31.823 0.029 0.000 0.988 489 V HN 0.829 nan 8.190 nan 0.000 0.431 490 E N 2.896 123.111 120.200 0.025 0.000 2.281 490 E HA 0.689 5.058 4.350 0.033 0.000 0.266 490 E C -0.128 176.478 176.600 0.010 0.000 0.893 490 E CA -0.405 56.003 56.400 0.014 0.000 0.798 490 E CB 2.323 32.032 29.700 0.014 0.000 1.245 490 E HN 0.985 nan 8.360 nan 0.000 0.410 491 G N 2.428 111.229 108.800 0.002 0.000 2.316 491 G HA2 0.119 4.099 3.960 0.033 0.000 0.296 491 G HA3 0.119 4.099 3.960 0.033 0.000 0.296 491 G C -1.466 173.429 174.900 -0.010 0.000 1.399 491 G CA -1.059 44.038 45.100 -0.005 0.000 0.833 491 G HN 0.351 nan 8.290 nan 0.000 0.565 492 N N 0.105 118.796 118.700 -0.015 0.000 2.493 492 N HA 0.430 5.190 4.740 0.033 0.000 0.275 492 N C -0.182 175.315 175.510 -0.022 0.000 1.186 492 N CA -0.461 52.578 53.050 -0.017 0.000 0.978 492 N CB 0.962 39.438 38.487 -0.019 0.000 1.184 492 N HN 0.422 nan 8.380 nan 0.000 0.487 493 K N 1.098 121.484 120.400 -0.022 0.000 2.336 493 K HA 0.186 4.526 4.320 0.033 0.000 0.290 493 K C -0.708 175.872 176.600 -0.035 0.000 1.067 493 K CA -0.184 56.087 56.287 -0.028 0.000 0.962 493 K CB -0.257 32.227 32.500 -0.026 0.000 1.008 493 K HN 0.368 nan 8.250 nan 0.000 0.467 494 V N 0.290 120.178 119.914 -0.042 0.000 2.925 494 V HA 0.480 4.620 4.120 0.033 0.000 0.311 494 V C -0.518 175.538 176.094 -0.064 0.000 1.104 494 V CA -1.360 60.911 62.300 -0.049 0.000 0.954 494 V CB 2.031 33.826 31.823 -0.047 0.000 1.022 494 V HN 0.608 nan 8.190 nan 0.000 0.427 495 R N 2.357 122.815 120.500 -0.070 0.000 2.522 495 R HA 0.586 4.946 4.340 0.033 0.000 0.290 495 R C -0.476 175.779 176.300 -0.075 0.000 1.216 495 R CA -0.128 55.920 56.100 -0.088 0.000 1.250 495 R CB 0.739 30.973 30.300 -0.110 0.000 1.143 495 R HN 0.942 nan 8.270 nan 0.000 0.553 496 E N 2.123 122.275 120.200 -0.080 0.000 2.304 496 E HA 0.229 4.599 4.350 0.033 0.000 0.277 496 E C -1.269 175.266 176.600 -0.109 0.000 0.898 496 E CA -1.013 55.342 56.400 -0.076 0.000 0.764 496 E CB 1.550 31.210 29.700 -0.066 0.000 1.216 496 E HN 0.128 nan 8.360 nan 0.000 0.419 497 R N 1.835 122.274 120.500 -0.101 0.000 2.390 497 R HA 0.227 4.587 4.340 0.033 0.000 0.291 497 R C -0.519 175.658 176.300 -0.205 0.000 1.070 497 R CA 0.040 56.039 56.100 -0.169 0.000 1.014 497 R CB 1.245 31.504 30.300 -0.069 0.000 1.007 497 R HN 0.415 nan 8.270 nan 0.000 0.466 498 S N 4.820 120.283 115.700 -0.395 0.000 2.537 498 S HA 0.099 4.588 4.470 0.033 0.000 0.286 498 S C -1.539 173.009 174.600 -0.088 0.000 1.299 498 S CA -1.186 56.852 58.200 -0.270 0.000 1.067 498 S CB 0.652 63.620 63.200 -0.387 0.000 0.864 498 S HN 0.538 nan 8.310 nan 0.000 0.494 499 P HA -0.129 nan 4.420 nan 0.000 0.216 499 P C 1.683 179.028 177.300 0.075 0.000 1.150 499 P CA 1.447 64.560 63.100 0.022 0.000 0.843 499 P CB -0.133 31.572 31.700 0.009 0.000 0.787 500 S N -1.714 114.064 115.700 0.130 0.000 2.440 500 S HA -0.169 4.321 4.470 0.033 0.000 0.238 500 S C 1.463 176.242 174.600 0.300 0.000 1.010 500 S CA 1.098 59.420 58.200 0.203 0.000 0.972 500 S CB -1.501 61.855 63.200 0.259 0.000 0.774 500 S HN -0.024 nan 8.310 nan 0.000 0.501 501 F N 2.153 122.096 119.950 -0.011 0.000 2.797 501 F HA 0.390 4.934 4.527 0.029 0.000 0.302 501 F C 2.026 177.760 175.800 -0.111 0.000 1.130 501 F CA -0.850 57.139 58.000 -0.018 0.000 1.387 501 F CB -0.738 38.284 39.000 0.037 0.000 1.107 501 F HN 0.370 nan 8.300 nan 0.000 0.577 502 G N -0.094 108.693 108.800 -0.021 0.000 3.424 502 G HA2 0.020 3.999 3.960 0.033 0.000 0.263 502 G HA3 0.020 3.999 3.960 0.033 0.000 0.263 502 G C 0.164 174.617 174.900 -0.745 0.000 1.310 502 G CA 0.082 44.991 45.100 -0.319 0.000 1.089 502 G HN 0.051 nan 8.290 nan 0.000 0.534 503 E N 0.006 119.772 120.200 -0.724 0.000 2.224 503 E HA 0.383 4.753 4.350 0.033 0.000 0.265 503 E C -0.780 175.436 176.600 -0.641 0.000 0.878 503 E CA -0.776 55.248 56.400 -0.625 0.000 0.759 503 E CB 1.549 31.113 29.700 -0.227 0.000 1.164 503 E HN 0.211 nan 8.360 nan 0.000 0.414 504 Y N 2.576 122.665 120.300 -0.351 0.000 2.471 504 Y HA 0.179 4.749 4.550 0.033 0.000 0.249 504 Y C 0.675 176.289 175.900 -0.476 0.000 1.116 504 Y CA -0.162 57.634 58.100 -0.507 0.000 1.240 504 Y CB 0.370 38.365 38.460 -0.775 0.000 1.251 504 Y HN 0.435 nan 8.280 nan 0.000 0.527 505 Y N -1.246 119.142 120.300 0.147 0.000 2.483 505 Y HA 0.089 4.659 4.550 0.034 0.000 0.258 505 Y C 2.397 178.359 175.900 0.104 0.000 1.083 505 Y CA 0.234 58.413 58.100 0.132 0.000 1.283 505 Y CB -0.342 38.202 38.460 0.139 0.000 1.178 505 Y HN 0.046 nan 8.280 nan 0.000 0.515 506 S N -0.834 114.999 115.700 0.221 0.000 2.402 506 S HA -0.174 4.316 4.470 0.033 0.000 0.229 506 S C 1.401 176.083 174.600 0.137 0.000 1.021 506 S CA 1.519 59.833 58.200 0.190 0.000 0.974 506 S CB -0.516 62.800 63.200 0.194 0.000 0.800 506 S HN 0.418 nan 8.310 nan 0.000 0.484 507 H N 2.631 121.618 119.070 -0.138 0.000 2.372 507 H HA 0.220 4.796 4.556 0.033 0.000 0.301 507 H C -0.677 174.472 175.328 -0.299 0.000 1.065 507 H CA 0.983 56.802 56.048 -0.381 0.000 1.364 507 H CB -1.636 27.665 29.762 -0.768 0.000 1.406 507 H HN 0.371 nan 8.280 nan 0.000 0.521 508 P HA -0.167 nan 4.420 nan 0.000 0.216 508 P C 1.501 178.994 177.300 0.321 0.000 1.153 508 P CA 1.659 64.921 63.100 0.270 0.000 0.858 508 P CB 0.123 32.000 31.700 0.294 0.000 0.789 509 R N -0.431 120.205 120.500 0.228 0.000 2.066 509 R HA -0.118 4.241 4.340 0.033 0.000 0.232 509 R C 2.162 178.597 176.300 0.225 0.000 1.131 509 R CA 1.180 57.421 56.100 0.234 0.000 0.955 509 R CB -1.089 29.309 30.300 0.165 0.000 0.851 509 R HN 0.064 nan 8.270 nan 0.000 0.432 510 L N 0.515 121.809 121.223 0.118 0.000 2.042 510 L HA -0.146 4.213 4.340 0.033 0.000 0.210 510 L C 2.007 178.933 176.870 0.094 0.000 1.076 510 L CA 1.753 56.623 54.840 0.050 0.000 0.749 510 L CB -0.715 41.298 42.059 -0.076 0.000 0.893 510 L HN 0.242 nan 8.230 nan 0.000 0.432 511 F N -0.623 119.357 119.950 0.050 0.000 2.069 511 F HA -0.289 4.259 4.527 0.035 0.000 0.298 511 F C 2.341 178.147 175.800 0.010 0.000 1.113 511 F CA 2.253 60.263 58.000 0.017 0.000 1.214 511 F CB -0.681 38.369 39.000 0.083 0.000 0.978 511 F HN 0.402 nan 8.300 nan 0.000 0.474 512 W N 1.478 122.775 121.300 -0.006 0.000 2.318 512 W HA -0.263 4.416 4.660 0.032 0.000 0.313 512 W C 1.728 178.127 176.519 -0.199 0.000 1.221 512 W CA 1.871 59.158 57.345 -0.097 0.000 1.266 512 W CB -0.789 28.704 29.460 0.055 0.000 1.150 512 W HN 0.094 nan 8.180 nan 0.000 0.496 513 L N 1.140 122.279 121.223 -0.141 0.000 2.456 513 L HA -0.138 4.222 4.340 0.033 0.000 0.224 513 L C 2.239 178.915 176.870 -0.325 0.000 1.148 513 L CA 0.955 55.641 54.840 -0.256 0.000 0.825 513 L CB -0.590 41.449 42.059 -0.034 0.000 0.937 513 L HN -0.113 nan 8.230 nan 0.000 0.450 514 S N -1.532 113.953 115.700 -0.357 0.000 2.548 514 S HA 0.073 4.562 4.470 0.033 0.000 0.215 514 S C 0.666 174.982 174.600 -0.473 0.000 0.976 514 S CA -0.048 57.943 58.200 -0.347 0.000 0.908 514 S CB 0.107 63.133 63.200 -0.290 0.000 0.781 514 S HN 0.276 nan 8.310 nan 0.000 0.519 515 Q N 2.332 121.748 119.800 -0.639 0.000 2.259 515 Q HA 0.283 4.643 4.340 0.033 0.000 0.246 515 Q C 0.598 176.209 176.000 -0.649 0.000 0.920 515 Q CA -0.114 55.273 55.803 -0.693 0.000 0.895 515 Q CB 0.512 28.771 28.738 -0.798 0.000 1.220 515 Q HN 0.428 nan 8.270 nan 0.000 0.439 516 T N -1.393 112.736 114.554 -0.709 0.000 2.802 516 T HA 0.119 4.489 4.350 0.033 0.000 0.305 516 T C -1.699 172.545 174.700 -0.759 0.000 1.053 516 T CA -1.183 60.451 62.100 -0.776 0.000 1.058 516 T CB 0.274 68.398 68.868 -1.240 0.000 0.988 516 T HN 0.231 nan 8.240 nan 0.000 0.539 517 P HA -0.040 nan 4.420 nan 0.000 0.215 517 P C 1.456 178.559 177.300 -0.330 0.000 1.153 517 P CA 1.141 64.029 63.100 -0.352 0.000 0.853 517 P CB -0.261 31.345 31.700 -0.157 0.000 0.788 518 F N 0.169 119.926 119.950 -0.321 0.000 2.186 518 F HA -0.051 4.495 4.527 0.032 0.000 0.299 518 F C 1.826 177.264 175.800 -0.603 0.000 1.090 518 F CA 1.065 58.799 58.000 -0.445 0.000 1.307 518 F CB -1.665 37.052 39.000 -0.471 0.000 1.019 518 F HN -0.087 nan 8.300 nan 0.000 0.489 519 E N 0.481 120.149 120.200 -0.887 0.000 2.110 519 E HA -0.225 4.145 4.350 0.033 0.000 0.193 519 E C 2.222 178.630 176.600 -0.320 0.000 0.988 519 E CA 1.518 57.605 56.400 -0.521 0.000 0.804 519 E CB -0.317 29.018 29.700 -0.608 0.000 0.745 519 E HN 0.650 nan 8.360 nan 0.000 0.458 520 Q N 0.297 119.828 119.800 -0.448 0.000 2.084 520 Q HA -0.174 4.185 4.340 0.033 0.000 0.202 520 Q C 2.245 178.282 176.000 0.062 0.000 0.978 520 Q CA 1.109 56.696 55.803 -0.360 0.000 0.844 520 Q CB -0.141 28.092 28.738 -0.842 0.000 0.898 520 Q HN 0.114 nan 8.270 nan 0.000 0.426 521 R N 0.086 120.590 120.500 0.006 0.000 2.091 521 R HA -0.178 4.181 4.340 0.033 0.000 0.238 521 R C 1.824 178.296 176.300 0.287 0.000 1.136 521 R CA 1.720 57.910 56.100 0.150 0.000 0.959 521 R CB -0.126 30.235 30.300 0.102 0.000 0.856 521 R HN 0.469 nan 8.270 nan 0.000 0.437 522 H N -0.608 118.554 119.070 0.153 0.000 2.389 522 H HA -0.064 4.512 4.556 0.032 0.000 0.299 522 H C 2.174 177.609 175.328 0.178 0.000 1.081 522 H CA 1.206 57.355 56.048 0.169 0.000 1.345 522 H CB 0.039 29.906 29.762 0.175 0.000 1.393 522 H HN 0.217 nan 8.280 nan 0.000 0.520 523 I N 0.234 121.010 120.570 0.343 0.000 2.127 523 I HA -0.285 3.905 4.170 0.033 0.000 0.241 523 I C 2.335 178.727 176.117 0.458 0.000 1.075 523 I CA 0.938 62.470 61.300 0.387 0.000 1.334 523 I CB -0.205 38.117 38.000 0.536 0.000 1.040 523 I HN 0.086 nan 8.210 nan 0.000 0.405 524 V N 0.891 121.073 119.914 0.446 0.000 2.287 524 V HA -0.336 3.803 4.120 0.033 0.000 0.248 524 V C 2.077 178.342 176.094 0.284 0.000 1.053 524 V CA 2.189 64.700 62.300 0.352 0.000 1.027 524 V CB -0.679 31.311 31.823 0.279 0.000 0.646 524 V HN 0.432 nan 8.190 nan 0.000 0.447 525 D N 0.285 120.837 120.400 0.253 0.000 2.144 525 D HA -0.096 4.563 4.640 0.033 0.000 0.199 525 D C 2.164 178.543 176.300 0.132 0.000 0.984 525 D CA 1.554 55.673 54.000 0.198 0.000 0.834 525 D CB -0.584 40.338 40.800 0.203 0.000 0.955 525 D HN 0.486 nan 8.370 nan 0.000 0.465 526 G N 0.163 109.014 108.800 0.086 0.000 2.433 526 G HA2 -0.244 3.736 3.960 0.033 0.000 0.216 526 G HA3 -0.244 3.736 3.960 0.033 0.000 0.216 526 G C 1.470 176.367 174.900 -0.005 0.000 1.186 526 G CA 0.212 45.267 45.100 -0.075 0.000 0.779 526 G HN 0.174 nan 8.290 nan 0.000 0.543 527 F N 1.814 121.804 119.950 0.066 0.000 2.126 527 F HA -0.091 4.456 4.527 0.033 0.000 0.299 527 F C 3.163 178.891 175.800 -0.119 0.000 1.096 527 F CA 1.575 59.552 58.000 -0.038 0.000 1.255 527 F CB -0.338 38.639 39.000 -0.039 0.000 0.997 527 F HN 0.080 nan 8.300 nan 0.000 0.479 528 S N -0.117 115.681 115.700 0.164 0.000 2.356 528 S HA -0.218 4.272 4.470 0.033 0.000 0.223 528 S C 1.867 176.494 174.600 0.046 0.000 1.032 528 S CA 1.367 59.611 58.200 0.074 0.000 1.005 528 S CB -0.775 62.489 63.200 0.107 0.000 0.867 528 S HN 0.412 nan 8.310 nan 0.000 0.449 529 F N 2.489 122.401 119.950 -0.062 0.000 2.146 529 F HA -0.063 4.483 4.527 0.031 0.000 0.298 529 F C 2.333 178.078 175.800 -0.092 0.000 1.096 529 F CA 1.348 59.305 58.000 -0.071 0.000 1.275 529 F CB -0.247 38.662 39.000 -0.151 0.000 1.008 529 F HN 0.112 nan 8.300 nan 0.000 0.480 530 E N 0.563 120.788 120.200 0.042 0.000 2.051 530 E HA -0.204 4.166 4.350 0.033 0.000 0.192 530 E C 2.367 178.802 176.600 -0.274 0.000 0.991 530 E CA 1.588 57.975 56.400 -0.021 0.000 0.799 530 E CB -0.504 29.300 29.700 0.173 0.000 0.748 530 E HN 0.471 nan 8.360 nan 0.000 0.449 531 L N 1.295 122.270 121.223 -0.413 0.000 2.217 531 L HA -0.105 4.255 4.340 0.033 0.000 0.211 531 L C 2.654 179.360 176.870 -0.274 0.000 1.107 531 L CA 0.948 55.499 54.840 -0.482 0.000 0.783 531 L CB -0.351 41.431 42.059 -0.461 0.000 0.919 531 L HN 0.133 nan 8.230 nan 0.000 0.442 532 S N -0.766 114.791 115.700 -0.238 0.000 2.474 532 S HA -0.104 4.385 4.470 0.033 0.000 0.235 532 S C 1.739 176.222 174.600 -0.195 0.000 0.997 532 S CA 0.594 58.676 58.200 -0.197 0.000 0.949 532 S CB -0.104 62.973 63.200 -0.204 0.000 0.766 532 S HN 0.276 nan 8.310 nan 0.000 0.517 533 K N 1.126 121.395 120.400 -0.219 0.000 2.393 533 K HA 0.321 4.661 4.320 0.033 0.000 0.193 533 K C -0.046 176.553 176.600 -0.001 0.000 1.026 533 K CA 0.014 56.232 56.287 -0.116 0.000 1.064 533 K CB 0.076 32.505 32.500 -0.119 0.000 0.833 533 K HN 0.318 nan 8.250 nan 0.000 0.521 534 V N 2.271 122.164 119.914 -0.035 0.000 2.427 534 V HA 0.004 4.143 4.120 0.033 0.000 0.268 534 V C 1.697 177.775 176.094 -0.028 0.000 1.046 534 V CA -0.054 62.247 62.300 0.002 0.000 0.970 534 V CB 1.300 33.086 31.823 -0.061 0.000 1.001 534 V HN -0.126 nan 8.190 nan 0.000 0.476 535 V N 5.203 125.122 119.914 0.008 0.000 2.488 535 V HA -0.023 4.116 4.120 0.033 0.000 0.246 535 V C 1.377 177.454 176.094 -0.029 0.000 1.046 535 V CA 1.184 63.485 62.300 0.001 0.000 1.053 535 V CB -0.404 31.437 31.823 0.030 0.000 0.679 535 V HN 0.746 nan 8.190 nan 0.000 0.458 536 R N 0.918 121.375 120.500 -0.071 0.000 2.288 536 R HA 0.146 4.506 4.340 0.033 0.000 0.330 536 R C -1.732 174.445 176.300 -0.206 0.000 1.069 536 R CA -1.246 54.779 56.100 -0.126 0.000 0.941 536 R CB 0.614 30.764 30.300 -0.249 0.000 0.998 536 R HN 0.270 nan 8.270 nan 0.000 0.452 537 P HA -0.167 nan 4.420 nan 0.000 0.221 537 P C 0.619 177.881 177.300 -0.063 0.000 1.150 537 P CA 0.957 64.022 63.100 -0.059 0.000 0.800 537 P CB 0.038 31.743 31.700 0.008 0.000 0.787 538 Y N -1.298 119.001 120.300 -0.001 0.000 2.333 538 Y HA -0.114 4.455 4.550 0.032 0.000 0.290 538 Y C 1.883 177.788 175.900 0.007 0.000 1.144 538 Y CA 0.781 58.881 58.100 0.000 0.000 1.228 538 Y CB -1.790 36.671 38.460 0.002 0.000 0.985 538 Y HN -0.105 nan 8.280 nan 0.000 0.542 539 I N 0.880 121.052 120.570 -0.663 0.000 2.252 539 I HA -0.240 3.950 4.170 0.033 0.000 0.245 539 I C 2.517 178.544 176.117 -0.149 0.000 1.102 539 I CA 1.391 62.458 61.300 -0.388 0.000 1.385 539 I CB -0.404 37.352 38.000 -0.406 0.000 1.064 539 I HN 0.202 nan 8.210 nan 0.000 0.414 540 R N 0.833 121.234 120.500 -0.166 0.000 2.081 540 R HA -0.182 4.178 4.340 0.033 0.000 0.235 540 R C 2.128 178.374 176.300 -0.089 0.000 1.131 540 R CA 1.444 57.457 56.100 -0.144 0.000 0.960 540 R CB -0.406 29.808 30.300 -0.143 0.000 0.856 540 R HN 0.444 nan 8.270 nan 0.000 0.436 541 E N 0.497 120.669 120.200 -0.047 0.000 2.085 541 E HA -0.178 4.191 4.350 0.033 0.000 0.194 541 E C 2.130 178.734 176.600 0.007 0.000 0.994 541 E CA 1.177 57.571 56.400 -0.010 0.000 0.801 541 E CB -0.010 29.710 29.700 0.034 0.000 0.743 541 E HN 0.269 nan 8.360 nan 0.000 0.453 542 R N 0.138 120.658 120.500 0.032 0.000 2.115 542 R HA -0.074 4.285 4.340 0.033 0.000 0.230 542 R C 2.361 178.685 176.300 0.040 0.000 1.111 542 R CA 0.796 56.928 56.100 0.053 0.000 0.976 542 R CB -0.119 30.234 30.300 0.089 0.000 0.870 542 R HN 0.050 nan 8.270 nan 0.000 0.445 543 V N 0.227 120.158 119.914 0.028 0.000 2.307 543 V HA -0.208 3.931 4.120 0.033 0.000 0.245 543 V C 2.272 178.343 176.094 -0.038 0.000 1.045 543 V CA 1.527 63.852 62.300 0.041 0.000 1.024 543 V CB -0.310 31.543 31.823 0.051 0.000 0.651 543 V HN 0.114 nan 8.190 nan 0.000 0.449 544 V N 0.584 120.449 119.914 -0.081 0.000 2.324 544 V HA -0.353 3.786 4.120 0.033 0.000 0.250 544 V C 2.308 178.361 176.094 -0.068 0.000 1.060 544 V CA 2.580 64.813 62.300 -0.112 0.000 1.042 544 V CB -0.719 31.044 31.823 -0.100 0.000 0.650 544 V HN 0.682 nan 8.190 nan 0.000 0.450 545 D N -0.784 119.609 120.400 -0.012 0.000 2.123 545 D HA -0.219 4.440 4.640 0.033 0.000 0.196 545 D C 2.262 178.642 176.300 0.133 0.000 0.992 545 D CA 1.492 55.520 54.000 0.046 0.000 0.833 545 D CB -0.061 40.782 40.800 0.072 0.000 0.954 545 D HN 0.519 nan 8.370 nan 0.000 0.455 546 Q N -0.459 119.384 119.800 0.073 0.000 2.050 546 Q HA -0.123 4.237 4.340 0.033 0.000 0.202 546 Q C 2.457 178.479 176.000 0.037 0.000 0.980 546 Q CA 1.039 56.889 55.803 0.077 0.000 0.840 546 Q CB -0.117 28.683 28.738 0.103 0.000 0.898 546 Q HN 0.409 nan 8.270 nan 0.000 0.424 547 L N 0.012 121.192 121.223 -0.072 0.000 2.127 547 L HA -0.176 4.184 4.340 0.033 0.000 0.211 547 L C 2.394 179.150 176.870 -0.191 0.000 1.089 547 L CA 0.845 55.567 54.840 -0.196 0.000 0.757 547 L CB -0.623 41.212 42.059 -0.373 0.000 0.899 547 L HN 0.210 nan 8.230 nan 0.000 0.434 548 A N -0.782 121.950 122.820 -0.145 0.000 2.121 548 A HA -0.189 4.151 4.320 0.033 0.000 0.218 548 A C 1.755 179.164 177.584 -0.292 0.000 1.154 548 A CA 1.200 53.117 52.037 -0.201 0.000 0.679 548 A CB -0.703 18.186 19.000 -0.186 0.000 0.795 548 A HN 0.443 nan 8.150 nan 0.000 0.458 549 H N -1.258 117.606 119.070 -0.344 0.000 2.548 549 H HA 0.259 4.836 4.556 0.034 0.000 0.268 549 H C 1.561 176.615 175.328 -0.455 0.000 0.975 549 H CA 1.018 56.723 56.048 -0.571 0.000 1.195 549 H CB 0.091 29.111 29.762 -1.238 0.000 1.397 549 H HN 0.502 nan 8.280 nan 0.000 0.572 550 I N -1.271 119.198 120.570 -0.167 0.000 2.899 550 I HA 0.087 4.276 4.170 0.033 0.000 0.257 550 I C -0.197 175.847 176.117 -0.122 0.000 1.115 550 I CA 0.415 61.680 61.300 -0.058 0.000 1.451 550 I CB 0.721 38.715 38.000 -0.009 0.000 1.251 550 I HN 0.077 nan 8.210 nan 0.000 0.456 551 D N -0.219 120.037 120.400 -0.240 0.000 2.804 551 D HA 0.155 4.815 4.640 0.033 0.000 0.209 551 D C 0.394 176.533 176.300 -0.269 0.000 1.314 551 D CA -0.316 53.527 54.000 -0.263 0.000 0.894 551 D CB 1.309 41.809 40.800 -0.500 0.000 1.615 551 D HN -0.041 nan 8.370 nan 0.000 0.571 552 L N 2.755 123.880 121.223 -0.163 0.000 2.043 552 L HA -0.153 4.207 4.340 0.033 0.000 0.212 552 L C 1.365 178.160 176.870 -0.124 0.000 1.075 552 L CA 1.972 56.731 54.840 -0.136 0.000 0.752 552 L CB -0.408 41.602 42.059 -0.083 0.000 0.891 552 L HN 0.587 nan 8.230 nan 0.000 0.432 553 T N 0.283 114.789 114.554 -0.080 0.000 2.777 553 T HA -0.185 4.185 4.350 0.033 0.000 0.266 553 T C 1.764 176.414 174.700 -0.082 0.000 1.040 553 T CA 1.340 63.437 62.100 -0.005 0.000 1.141 553 T CB -0.296 68.658 68.868 0.144 0.000 0.868 553 T HN 0.260 nan 8.240 nan 0.000 0.444 554 L N 1.875 122.896 121.223 -0.337 0.000 1.989 554 L HA -0.005 4.355 4.340 0.033 0.000 0.211 554 L C 2.596 179.251 176.870 -0.358 0.000 1.071 554 L CA 2.170 56.653 54.840 -0.594 0.000 0.749 554 L CB -1.226 40.054 42.059 -1.298 0.000 0.890 554 L HN 0.215 nan 8.230 nan 0.000 0.431 555 A N -1.114 121.509 122.820 -0.329 0.000 1.877 555 A HA -0.262 4.078 4.320 0.033 0.000 0.216 555 A C 2.221 179.708 177.584 -0.161 0.000 1.186 555 A CA 1.933 53.821 52.037 -0.248 0.000 0.620 555 A CB -0.673 18.199 19.000 -0.213 0.000 0.822 555 A HN 0.703 nan 8.150 nan 0.000 0.443 556 Q N -0.893 118.836 119.800 -0.120 0.000 2.119 556 Q HA -0.085 4.274 4.340 0.033 0.000 0.201 556 Q C 2.429 178.402 176.000 -0.045 0.000 0.972 556 Q CA 1.251 57.013 55.803 -0.069 0.000 0.847 556 Q CB -0.340 28.371 28.738 -0.044 0.000 0.903 556 Q HN 0.695 nan 8.270 nan 0.000 0.433 557 A N 0.258 123.057 122.820 -0.034 0.000 1.930 557 A HA -0.114 4.226 4.320 0.033 0.000 0.217 557 A C 2.290 179.874 177.584 0.001 0.000 1.175 557 A CA 1.154 53.197 52.037 0.011 0.000 0.627 557 A CB -0.511 18.529 19.000 0.066 0.000 0.815 557 A HN 0.199 nan 8.150 nan 0.000 0.443 558 V N -0.157 119.728 119.914 -0.048 0.000 2.358 558 V HA -0.203 3.937 4.120 0.033 0.000 0.246 558 V C 3.044 179.105 176.094 -0.056 0.000 1.047 558 V CA 1.774 64.042 62.300 -0.052 0.000 1.035 558 V CB -1.219 30.518 31.823 -0.144 0.000 0.658 558 V HN 0.594 nan 8.190 nan 0.000 0.452 559 A N -0.244 122.532 122.820 -0.072 0.000 1.940 559 A HA -0.290 4.050 4.320 0.033 0.000 0.219 559 A C 2.320 179.885 177.584 -0.032 0.000 1.176 559 A CA 2.288 54.290 52.037 -0.059 0.000 0.631 559 A CB -0.494 18.468 19.000 -0.063 0.000 0.814 559 A HN 0.521 nan 8.150 nan 0.000 0.446 560 K N -0.373 120.016 120.400 -0.019 0.000 2.057 560 K HA -0.151 4.188 4.320 0.033 0.000 0.207 560 K C 1.472 178.075 176.600 0.006 0.000 1.049 560 K CA 1.512 57.798 56.287 -0.002 0.000 0.931 560 K CB -0.143 32.364 32.500 0.010 0.000 0.714 560 K HN 0.429 nan 8.250 nan 0.000 0.440 561 N N 0.304 119.011 118.700 0.012 0.000 2.453 561 N HA -0.102 4.658 4.740 0.033 0.000 0.183 561 N C 0.837 176.348 175.510 0.002 0.000 1.041 561 N CA 0.726 53.790 53.050 0.022 0.000 0.900 561 N CB 0.141 38.654 38.487 0.044 0.000 0.961 561 N HN 0.125 nan 8.380 nan 0.000 0.443 562 L N -0.592 120.621 121.223 -0.017 0.000 2.640 562 L HA 0.308 4.668 4.340 0.033 0.000 0.230 562 L C 1.091 177.946 176.870 -0.025 0.000 1.123 562 L CA 0.143 54.963 54.840 -0.033 0.000 0.900 562 L CB -0.813 41.211 42.059 -0.058 0.000 1.146 562 L HN 0.181 nan 8.230 nan 0.000 0.484 563 G N 0.911 109.702 108.800 -0.015 0.000 2.246 563 G HA2 -0.278 3.702 3.960 0.033 0.000 0.273 563 G HA3 -0.278 3.702 3.960 0.033 0.000 0.273 563 G C 0.276 175.167 174.900 -0.015 0.000 1.055 563 G CA 0.355 45.449 45.100 -0.010 0.000 0.851 563 G HN 0.305 nan 8.290 nan 0.000 0.500 564 I N -0.362 120.195 120.570 -0.021 0.000 2.493 564 I HA 0.447 4.637 4.170 0.033 0.000 0.298 564 I C 0.191 176.294 176.117 -0.023 0.000 0.998 564 I CA -0.759 60.527 61.300 -0.024 0.000 1.137 564 I CB 1.865 39.844 38.000 -0.035 0.000 1.310 564 I HN 0.032 nan 8.210 nan 0.000 0.445 565 E N 4.548 124.736 120.200 -0.020 0.000 2.158 565 E HA 0.338 4.708 4.350 0.033 0.000 0.271 565 E C -1.182 175.402 176.600 -0.027 0.000 0.911 565 E CA -1.093 55.294 56.400 -0.021 0.000 0.767 565 E CB 2.253 31.945 29.700 -0.015 0.000 1.120 565 E HN 0.273 nan 8.360 nan 0.000 0.405 566 L N 3.021 124.223 121.223 -0.035 0.000 2.490 566 L HA -0.008 4.351 4.340 0.033 0.000 0.274 566 L C 1.139 177.988 176.870 -0.034 0.000 1.201 566 L CA 0.684 55.499 54.840 -0.042 0.000 0.869 566 L CB 0.337 42.363 42.059 -0.054 0.000 1.123 566 L HN 0.574 nan 8.230 nan 0.000 0.484 567 T N -1.087 113.447 114.554 -0.033 0.000 2.754 567 T HA 0.129 4.498 4.350 0.033 0.000 0.286 567 T C 0.860 175.540 174.700 -0.034 0.000 0.997 567 T CA -0.415 61.668 62.100 -0.028 0.000 0.982 567 T CB 0.465 69.320 68.868 -0.023 0.000 1.027 567 T HN 0.592 nan 8.240 nan 0.000 0.529 568 D N 0.083 120.466 120.400 -0.029 0.000 2.144 568 D HA -0.045 4.615 4.640 0.033 0.000 0.199 568 D C 1.615 177.891 176.300 -0.040 0.000 0.984 568 D CA 1.062 55.044 54.000 -0.031 0.000 0.834 568 D CB -0.121 40.665 40.800 -0.023 0.000 0.955 568 D HN 0.577 nan 8.370 nan 0.000 0.465 569 D N 0.123 120.500 120.400 -0.038 0.000 2.104 569 D HA -0.148 4.511 4.640 0.033 0.000 0.194 569 D C 2.011 178.264 176.300 -0.079 0.000 0.994 569 D CA 0.900 54.871 54.000 -0.048 0.000 0.830 569 D CB -0.218 40.562 40.800 -0.034 0.000 0.959 569 D HN 0.315 nan 8.370 nan 0.000 0.452 570 Q N -0.506 119.246 119.800 -0.080 0.000 2.124 570 Q HA -0.088 4.272 4.340 0.033 0.000 0.202 570 Q C 1.781 177.708 176.000 -0.121 0.000 0.977 570 Q CA 0.489 56.222 55.803 -0.116 0.000 0.850 570 Q CB 0.040 28.724 28.738 -0.090 0.000 0.901 570 Q HN 0.178 nan 8.270 nan 0.000 0.429 571 L N 0.855 122.026 121.223 -0.086 0.000 2.362 571 L HA -0.081 4.279 4.340 0.033 0.000 0.219 571 L C 0.959 177.781 176.870 -0.081 0.000 1.134 571 L CA 1.380 56.173 54.840 -0.077 0.000 0.807 571 L CB -0.428 41.599 42.059 -0.054 0.000 0.927 571 L HN 0.233 nan 8.230 nan 0.000 0.447 572 N N -0.898 117.750 118.700 -0.087 0.000 2.214 572 N HA 0.197 4.956 4.740 0.033 0.000 0.214 572 N C 0.295 175.744 175.510 -0.101 0.000 1.132 572 N CA -0.016 52.988 53.050 -0.077 0.000 0.856 572 N CB 0.795 39.247 38.487 -0.058 0.000 1.020 572 N HN 0.203 nan 8.380 nan 0.000 0.509 573 I N 1.627 122.103 120.570 -0.156 0.000 2.452 573 I HA -0.006 4.184 4.170 0.033 0.000 0.287 573 I C 0.447 176.472 176.117 -0.154 0.000 1.079 573 I CA 0.146 61.321 61.300 -0.208 0.000 1.387 573 I CB 0.447 38.199 38.000 -0.412 0.000 1.404 573 I HN -0.175 nan 8.210 nan 0.000 0.522 574 T N 8.449 122.942 114.554 -0.102 0.000 2.902 574 T HA 0.100 4.469 4.350 0.033 0.000 0.301 574 T C -1.896 172.769 174.700 -0.059 0.000 1.012 574 T CA -0.702 61.362 62.100 -0.059 0.000 1.151 574 T CB -0.062 68.790 68.868 -0.026 0.000 0.946 574 T HN 0.432 nan 8.240 nan 0.000 0.542 575 P HA 0.223 nan 4.420 nan 0.000 0.270 575 P C -2.449 174.867 177.300 0.027 0.000 1.223 575 P CA -1.404 61.685 63.100 -0.018 0.000 0.785 575 P CB -0.394 31.306 31.700 0.001 0.000 0.923 576 P HA 0.226 nan 4.420 nan 0.000 0.272 576 P C -2.369 174.989 177.300 0.096 0.000 1.230 576 P CA -1.297 61.874 63.100 0.118 0.000 0.788 576 P CB -1.036 30.782 31.700 0.198 0.000 0.949 577 P HA 0.100 nan 4.420 nan 0.000 0.271 577 P C -0.151 177.202 177.300 0.088 0.000 1.233 577 P CA 0.153 63.303 63.100 0.084 0.000 0.789 577 P CB 0.278 32.029 31.700 0.084 0.000 0.951 578 D N -0.470 119.975 120.400 0.074 0.000 2.363 578 D HA 0.102 4.761 4.640 0.033 0.000 0.240 578 D C -0.164 176.188 176.300 0.086 0.000 1.236 578 D CA 0.068 54.108 54.000 0.067 0.000 0.927 578 D CB 0.380 41.214 40.800 0.056 0.000 1.150 578 D HN -0.028 nan 8.370 nan 0.000 0.458 579 V N 2.024 121.980 119.914 0.069 0.000 2.348 579 V HA 0.076 4.216 4.120 0.033 0.000 0.270 579 V C 0.176 176.364 176.094 0.156 0.000 1.037 579 V CA -0.592 61.778 62.300 0.117 0.000 0.872 579 V CB 0.040 31.844 31.823 -0.031 0.000 1.002 579 V HN 0.572 nan 8.190 nan 0.000 0.464 580 N N 4.402 123.219 118.700 0.194 0.000 2.708 580 N HA -0.238 4.522 4.740 0.033 0.000 0.251 580 N C 1.173 176.753 175.510 0.116 0.000 1.017 580 N CA 1.144 54.295 53.050 0.168 0.000 0.742 580 N CB -0.853 37.783 38.487 0.248 0.000 0.943 580 N HN 1.321 nan 8.380 nan 0.000 0.539 581 G N -2.204 106.649 108.800 0.088 0.000 2.176 581 G HA2 -0.321 3.659 3.960 0.033 0.000 0.253 581 G HA3 -0.321 3.659 3.960 0.033 0.000 0.253 581 G C 0.084 175.017 174.900 0.055 0.000 0.979 581 G CA 0.249 45.386 45.100 0.063 0.000 0.641 581 G HN 0.392 nan 8.290 nan 0.000 0.530 582 L N 1.159 122.418 121.223 0.059 0.000 2.331 582 L HA 0.414 4.773 4.340 0.033 0.000 0.278 582 L C 1.678 178.563 176.870 0.024 0.000 1.106 582 L CA -0.124 54.739 54.840 0.038 0.000 0.824 582 L CB 1.092 43.170 42.059 0.033 0.000 1.142 582 L HN 0.269 nan 8.230 nan 0.000 0.443 583 K N 3.021 123.430 120.400 0.014 0.000 2.358 583 K HA 0.201 4.541 4.320 0.033 0.000 0.200 583 K C -0.287 176.305 176.600 -0.014 0.000 1.030 583 K CA -0.090 56.202 56.287 0.008 0.000 1.097 583 K CB 0.688 33.194 32.500 0.011 0.000 0.862 583 K HN 0.699 nan 8.250 nan 0.000 0.534 584 K N -0.274 120.112 120.400 -0.023 0.000 2.685 584 K HA 0.294 4.634 4.320 0.033 0.000 0.290 584 K C -2.116 174.462 176.600 -0.036 0.000 1.018 584 K CA -0.899 55.357 56.287 -0.051 0.000 0.860 584 K CB 1.063 33.513 32.500 -0.084 0.000 1.498 584 K HN -0.151 nan 8.250 nan 0.000 0.390 585 D N 1.100 121.472 120.400 -0.047 0.000 2.616 585 D HA 0.325 4.985 4.640 0.033 0.000 0.238 585 D C -2.306 173.974 176.300 -0.033 0.000 1.354 585 D CA -1.984 52.006 54.000 -0.016 0.000 0.970 585 D CB 2.286 43.096 40.800 0.016 0.000 1.369 585 D HN 0.247 nan 8.370 nan 0.000 0.585 586 P HA -0.045 nan 4.420 nan 0.000 0.233 586 P C 1.299 178.588 177.300 -0.019 0.000 1.167 586 P CA 0.608 63.675 63.100 -0.054 0.000 0.770 586 P CB 0.230 31.910 31.700 -0.034 0.000 0.837 587 S N -0.725 114.995 115.700 0.034 0.000 2.465 587 S HA -0.112 4.378 4.470 0.033 0.000 0.241 587 S C 1.640 176.321 174.600 0.134 0.000 1.000 587 S CA 0.993 59.250 58.200 0.095 0.000 0.964 587 S CB -1.444 61.836 63.200 0.132 0.000 0.763 587 S HN 0.163 nan 8.310 nan 0.000 0.512 588 L N 1.059 122.320 121.223 0.064 0.000 2.446 588 L HA 0.212 4.572 4.340 0.033 0.000 0.219 588 L C 1.497 178.255 176.870 -0.187 0.000 1.116 588 L CA 0.109 54.974 54.840 0.043 0.000 0.844 588 L CB -0.308 41.769 42.059 0.029 0.000 0.970 588 L HN 0.305 nan 8.230 nan 0.000 0.457 589 S N -0.225 115.350 115.700 -0.207 0.000 2.584 589 S HA 0.258 4.747 4.470 0.033 0.000 0.273 589 S C 1.133 175.611 174.600 -0.202 0.000 1.311 589 S CA -0.585 57.444 58.200 -0.285 0.000 1.034 589 S CB 1.166 64.201 63.200 -0.275 0.000 0.939 589 S HN 0.175 nan 8.310 nan 0.000 0.513 590 L N 3.349 124.369 121.223 -0.338 0.000 2.156 590 L HA 0.002 4.362 4.340 0.033 0.000 0.208 590 L C 0.830 177.447 176.870 -0.421 0.000 1.095 590 L CA 1.144 55.685 54.840 -0.498 0.000 0.770 590 L CB -0.275 41.168 42.059 -1.026 0.000 0.914 590 L HN 0.761 nan 8.230 nan 0.000 0.439 591 Y N -2.536 117.763 120.300 -0.003 0.000 2.448 591 Y HA 0.343 4.913 4.550 0.033 0.000 0.257 591 Y C 2.114 178.042 175.900 0.047 0.000 1.089 591 Y CA -0.260 57.896 58.100 0.093 0.000 1.245 591 Y CB -0.497 38.072 38.460 0.182 0.000 1.282 591 Y HN -0.064 nan 8.280 nan 0.000 0.529 592 A N 0.919 123.769 122.820 0.050 0.000 1.892 592 A HA -0.125 4.214 4.320 0.033 0.000 0.218 592 A C 0.954 178.572 177.584 0.056 0.000 1.188 592 A CA 1.269 53.305 52.037 -0.002 0.000 0.631 592 A CB -0.879 18.066 19.000 -0.092 0.000 0.822 592 A HN 0.289 nan 8.150 nan 0.000 0.447 593 I N 0.787 121.395 120.570 0.063 0.000 2.307 593 I HA 0.248 4.437 4.170 0.033 0.000 0.289 593 I C -2.434 173.754 176.117 0.118 0.000 1.021 593 I CA -2.160 59.188 61.300 0.079 0.000 1.224 593 I CB 1.470 39.505 38.000 0.058 0.000 1.376 593 I HN 0.020 nan 8.210 nan 0.000 0.470 594 P HA -0.008 nan 4.420 nan 0.000 0.264 594 P C -0.252 177.121 177.300 0.122 0.000 1.183 594 P CA 0.484 63.673 63.100 0.148 0.000 0.763 594 P CB 0.552 32.323 31.700 0.119 0.000 0.807 595 D N 0.855 121.336 120.400 0.135 0.000 2.672 595 D HA 0.091 4.751 4.640 0.033 0.000 0.321 595 D C 0.429 176.791 176.300 0.104 0.000 1.496 595 D CA -0.148 53.919 54.000 0.111 0.000 0.901 595 D CB -0.386 40.484 40.800 0.116 0.000 1.441 595 D HN 0.382 nan 8.370 nan 0.000 0.423 596 G N 0.366 109.235 108.800 0.115 0.000 2.491 596 G HA2 0.374 4.354 3.960 0.033 0.000 0.238 596 G HA3 0.374 4.354 3.960 0.033 0.000 0.238 596 G C -0.527 174.411 174.900 0.064 0.000 1.277 596 G CA 0.044 45.205 45.100 0.102 0.000 0.851 596 G HN 0.176 nan 8.290 nan 0.000 0.573 597 D N 0.508 120.938 120.400 0.050 0.000 2.763 597 D HA 0.170 4.829 4.640 0.033 0.000 0.235 597 D C 0.895 177.207 176.300 0.019 0.000 1.334 597 D CA -0.557 53.458 54.000 0.025 0.000 0.950 597 D CB 1.797 42.605 40.800 0.013 0.000 1.433 597 D HN 0.308 nan 8.370 nan 0.000 0.580 598 V N 1.779 121.696 119.914 0.006 0.000 3.406 598 V HA 0.260 4.399 4.120 0.033 0.000 0.263 598 V C 1.041 177.116 176.094 -0.032 0.000 1.172 598 V CA 0.114 62.413 62.300 -0.002 0.000 1.140 598 V CB -0.632 31.185 31.823 -0.010 0.000 0.784 598 V HN 0.383 nan 8.190 nan 0.000 0.467 599 K N 1.267 121.639 120.400 -0.045 0.000 2.447 599 K HA 0.377 4.716 4.320 0.033 0.000 0.281 599 K C 1.312 177.867 176.600 -0.075 0.000 1.031 599 K CA 1.110 57.347 56.287 -0.083 0.000 1.019 599 K CB 0.133 32.590 32.500 -0.071 0.000 0.918 599 K HN 0.668 nan 8.250 nan 0.000 0.476 600 G N 3.329 112.049 108.800 -0.133 0.000 2.241 600 G HA2 -0.236 3.744 3.960 0.033 0.000 0.244 600 G HA3 -0.236 3.744 3.960 0.033 0.000 0.244 600 G C 0.081 175.018 174.900 0.061 0.000 0.998 600 G CA -0.164 44.929 45.100 -0.011 0.000 0.621 600 G HN 0.586 nan 8.290 nan 0.000 0.519 601 R N 0.009 120.520 120.500 0.017 0.000 2.863 601 R HA 0.539 4.899 4.340 0.033 0.000 0.273 601 R C 0.231 176.581 176.300 0.084 0.000 1.057 601 R CA 0.306 56.445 56.100 0.065 0.000 1.191 601 R CB 0.328 30.662 30.300 0.057 0.000 1.104 601 R HN 0.452 nan 8.270 nan 0.000 0.519 602 V N 0.394 120.379 119.914 0.118 0.000 2.841 602 V HA 0.382 4.522 4.120 0.033 0.000 0.310 602 V C -0.393 175.767 176.094 0.110 0.000 1.090 602 V CA -0.924 61.462 62.300 0.142 0.000 0.930 602 V CB 2.526 34.459 31.823 0.183 0.000 1.014 602 V HN 0.400 nan 8.190 nan 0.000 0.425 603 V N 2.318 122.293 119.914 0.101 0.000 2.604 603 V HA 0.800 4.940 4.120 0.033 0.000 0.305 603 V C 0.356 176.509 176.094 0.099 0.000 1.043 603 V CA -0.611 61.739 62.300 0.084 0.000 0.888 603 V CB 1.936 33.793 31.823 0.057 0.000 0.995 603 V HN 1.072 nan 8.190 nan 0.000 0.429 604 A N 5.857 128.746 122.820 0.114 0.000 2.328 604 A HA 0.796 5.135 4.320 0.033 0.000 0.284 604 A C -0.481 177.129 177.584 0.044 0.000 1.160 604 A CA -0.224 51.873 52.037 0.101 0.000 0.818 604 A CB 0.070 19.184 19.000 0.191 0.000 1.087 604 A HN 0.762 nan 8.150 nan 0.000 0.504 605 I N 3.284 123.870 120.570 0.027 0.000 2.382 605 I HA 0.233 4.422 4.170 0.033 0.000 0.286 605 I C -0.682 175.449 176.117 0.024 0.000 1.002 605 I CA -0.229 61.087 61.300 0.027 0.000 1.135 605 I CB 1.532 39.557 38.000 0.042 0.000 1.288 605 I HN 0.477 nan 8.210 nan 0.000 0.448 606 L N 7.135 128.365 121.223 0.012 0.000 2.261 606 L HA 0.449 4.809 4.340 0.033 0.000 0.289 606 L C 0.042 177.013 176.870 0.170 0.000 1.059 606 L CA -0.402 54.499 54.840 0.102 0.000 0.816 606 L CB 0.284 42.284 42.059 -0.098 0.000 1.191 606 L HN 0.454 nan 8.230 nan 0.000 0.431 607 L N 3.402 124.766 121.223 0.234 0.000 2.479 607 L HA 0.344 4.703 4.340 0.033 0.000 0.248 607 L C 0.137 177.191 176.870 0.307 0.000 1.205 607 L CA -0.408 54.532 54.840 0.167 0.000 0.817 607 L CB 0.709 42.775 42.059 0.011 0.000 1.162 607 L HN 0.720 nan 8.230 nan 0.000 0.486 608 N N -2.478 116.303 118.700 0.136 0.000 2.697 608 N HA 0.204 4.963 4.740 0.033 0.000 0.272 608 N C -0.406 175.065 175.510 -0.064 0.000 1.381 608 N CA -0.745 52.422 53.050 0.195 0.000 0.797 608 N CB 0.734 39.329 38.487 0.180 0.000 1.523 608 N HN 0.531 nan 8.380 nan 0.000 0.518 609 D N -1.485 118.923 120.400 0.014 0.000 2.378 609 D HA -0.084 4.576 4.640 0.033 0.000 0.227 609 D C -0.405 175.854 176.300 -0.068 0.000 1.012 609 D CA 0.868 54.809 54.000 -0.097 0.000 0.905 609 D CB -0.012 40.807 40.800 0.032 0.000 0.895 609 D HN 0.747 nan 8.370 nan 0.000 0.532 610 E N 0.486 120.665 120.200 -0.034 0.000 3.544 610 E HA 0.206 4.576 4.350 0.033 0.000 0.264 610 E C -1.153 175.433 176.600 -0.022 0.000 1.225 610 E CA -0.364 56.018 56.400 -0.030 0.000 1.045 610 E CB 1.103 30.794 29.700 -0.015 0.000 1.338 610 E HN -0.129 nan 8.360 nan 0.000 0.395 611 V N 2.072 121.965 119.914 -0.035 0.000 2.673 611 V HA 0.009 4.149 4.120 0.033 0.000 0.303 611 V C 0.907 176.987 176.094 -0.024 0.000 1.046 611 V CA 0.399 62.685 62.300 -0.022 0.000 1.126 611 V CB 0.720 32.525 31.823 -0.030 0.000 0.934 611 V HN 0.495 nan 8.190 nan 0.000 0.487 612 R N 3.547 124.034 120.500 -0.022 0.000 2.498 612 R HA 0.011 4.370 4.340 0.033 0.000 0.334 612 R C 1.689 177.969 176.300 -0.033 0.000 1.106 612 R CA 0.553 56.635 56.100 -0.030 0.000 0.995 612 R CB 0.037 30.314 30.300 -0.039 0.000 0.989 612 R HN 1.014 nan 8.270 nan 0.000 0.455 613 S N 3.025 118.707 115.700 -0.030 0.000 2.392 613 S HA -0.307 4.183 4.470 0.033 0.000 0.232 613 S C 2.005 176.588 174.600 -0.029 0.000 1.041 613 S CA 1.175 59.358 58.200 -0.027 0.000 1.026 613 S CB -0.273 62.912 63.200 -0.024 0.000 0.845 613 S HN 0.686 nan 8.310 nan 0.000 0.465 614 A N 2.259 125.058 122.820 -0.034 0.000 1.933 614 A HA -0.128 4.211 4.320 0.033 0.000 0.218 614 A C 1.983 179.537 177.584 -0.050 0.000 1.175 614 A CA 1.665 53.679 52.037 -0.038 0.000 0.628 614 A CB -0.801 18.175 19.000 -0.040 0.000 0.814 614 A HN 0.496 nan 8.150 nan 0.000 0.444 615 D N -0.136 120.225 120.400 -0.065 0.000 2.084 615 D HA -0.121 4.539 4.640 0.033 0.000 0.194 615 D C 1.922 178.194 176.300 -0.047 0.000 0.990 615 D CA 0.876 54.822 54.000 -0.090 0.000 0.826 615 D CB -0.389 40.344 40.800 -0.111 0.000 0.971 615 D HN 0.358 nan 8.370 nan 0.000 0.453 616 L N 0.474 121.681 121.223 -0.027 0.000 2.141 616 L HA -0.113 4.247 4.340 0.033 0.000 0.209 616 L C 2.388 179.257 176.870 -0.001 0.000 1.094 616 L CA 0.631 55.467 54.840 -0.006 0.000 0.763 616 L CB -0.168 41.887 42.059 -0.008 0.000 0.908 616 L HN 0.075 nan 8.230 nan 0.000 0.437 617 L N -0.618 120.599 121.223 -0.010 0.000 2.046 617 L HA -0.196 4.163 4.340 0.033 0.000 0.208 617 L C 2.762 179.633 176.870 0.002 0.000 1.077 617 L CA 1.299 56.136 54.840 -0.004 0.000 0.747 617 L CB -0.547 41.507 42.059 -0.009 0.000 0.896 617 L HN 0.256 nan 8.230 nan 0.000 0.432 618 A N -0.100 122.718 122.820 -0.002 0.000 1.929 618 A HA -0.124 4.215 4.320 0.033 0.000 0.216 618 A C 2.180 179.784 177.584 0.034 0.000 1.176 618 A CA 1.225 53.268 52.037 0.010 0.000 0.628 618 A CB -0.556 18.440 19.000 -0.006 0.000 0.816 618 A HN 0.326 nan 8.150 nan 0.000 0.444 619 I N -0.263 120.332 120.570 0.041 0.000 2.179 619 I HA -0.257 3.933 4.170 0.033 0.000 0.242 619 I C 2.315 178.463 176.117 0.051 0.000 1.088 619 I CA 1.231 62.575 61.300 0.073 0.000 1.357 619 I CB -0.270 37.779 38.000 0.083 0.000 1.051 619 I HN 0.266 nan 8.210 nan 0.000 0.409 620 L N 0.334 121.578 121.223 0.035 0.000 2.156 620 L HA -0.165 4.194 4.340 0.033 0.000 0.208 620 L C 2.575 179.458 176.870 0.023 0.000 1.095 620 L CA 1.044 55.902 54.840 0.030 0.000 0.770 620 L CB -0.548 41.526 42.059 0.026 0.000 0.914 620 L HN 0.236 nan 8.230 nan 0.000 0.439 621 K N 0.780 121.192 120.400 0.020 0.000 2.097 621 K HA -0.147 4.192 4.320 0.033 0.000 0.205 621 K C 2.042 178.651 176.600 0.015 0.000 1.050 621 K CA 1.314 57.611 56.287 0.015 0.000 0.938 621 K CB 0.044 32.552 32.500 0.013 0.000 0.718 621 K HN 0.261 nan 8.250 nan 0.000 0.442 622 A N 1.093 123.927 122.820 0.024 0.000 1.970 622 A HA 0.024 4.364 4.320 0.033 0.000 0.216 622 A C 2.054 179.644 177.584 0.009 0.000 1.170 622 A CA 0.545 52.595 52.037 0.022 0.000 0.645 622 A CB -0.273 18.751 19.000 0.040 0.000 0.816 622 A HN 0.252 nan 8.150 nan 0.000 0.447 623 L N -0.630 120.600 121.223 0.011 0.000 2.027 623 L HA -0.156 4.204 4.340 0.033 0.000 0.206 623 L C 2.607 179.460 176.870 -0.028 0.000 1.074 623 L CA 1.835 56.671 54.840 -0.007 0.000 0.745 623 L CB -0.462 41.602 42.059 0.008 0.000 0.898 623 L HN 0.414 nan 8.230 nan 0.000 0.433 624 K N 0.428 120.821 120.400 -0.012 0.000 2.063 624 K HA -0.217 4.123 4.320 0.033 0.000 0.208 624 K C 2.092 178.677 176.600 -0.026 0.000 1.048 624 K CA 1.464 57.741 56.287 -0.018 0.000 0.928 624 K CB -0.104 32.398 32.500 0.003 0.000 0.713 624 K HN 0.285 nan 8.250 nan 0.000 0.442 625 A N 0.985 123.796 122.820 -0.016 0.000 1.978 625 A HA -0.130 4.210 4.320 0.033 0.000 0.220 625 A C 1.619 179.187 177.584 -0.026 0.000 1.170 625 A CA 1.427 53.455 52.037 -0.015 0.000 0.636 625 A CB -0.132 18.865 19.000 -0.006 0.000 0.810 625 A HN 0.149 nan 8.150 nan 0.000 0.448 626 K N -1.469 118.910 120.400 -0.036 0.000 2.372 626 K HA 0.209 4.549 4.320 0.033 0.000 0.200 626 K C 0.940 177.491 176.600 -0.081 0.000 1.022 626 K CA 0.639 56.898 56.287 -0.046 0.000 1.125 626 K CB 0.080 32.558 32.500 -0.037 0.000 0.855 626 K HN 0.738 nan 8.250 nan 0.000 0.524 627 G N 1.366 110.102 108.800 -0.107 0.000 2.147 627 G HA2 -0.224 3.756 3.960 0.033 0.000 0.244 627 G HA3 -0.224 3.756 3.960 0.033 0.000 0.244 627 G C 0.010 174.705 174.900 -0.341 0.000 1.005 627 G CA 0.189 45.178 45.100 -0.185 0.000 0.713 627 G HN 0.108 nan 8.290 nan 0.000 0.515 628 V N 0.735 120.493 119.914 -0.260 0.000 2.427 628 V HA 0.538 4.678 4.120 0.033 0.000 0.286 628 V C 0.702 176.637 176.094 -0.265 0.000 1.034 628 V CA -0.826 61.317 62.300 -0.262 0.000 0.893 628 V CB 1.275 33.035 31.823 -0.104 0.000 0.982 628 V HN 0.442 nan 8.190 nan 0.000 0.452 629 H N 1.722 120.804 119.070 0.021 0.000 2.508 629 H HA 0.778 5.354 4.556 0.032 0.000 0.358 629 H C 0.177 175.526 175.328 0.035 0.000 1.212 629 H CA 0.059 56.122 56.048 0.025 0.000 1.356 629 H CB 1.277 31.055 29.762 0.027 0.000 1.525 629 H HN 0.849 nan 8.280 nan 0.000 0.578 630 A N 1.053 123.980 122.820 0.178 0.000 2.435 630 A HA 0.532 4.871 4.320 0.033 0.000 0.304 630 A C -1.162 176.480 177.584 0.096 0.000 1.064 630 A CA -1.045 51.060 52.037 0.112 0.000 0.727 630 A CB 1.204 20.252 19.000 0.080 0.000 1.284 630 A HN 0.780 nan 8.150 nan 0.000 0.415 631 K N 2.263 122.713 120.400 0.084 0.000 2.376 631 K HA 0.691 5.031 4.320 0.033 0.000 0.257 631 K C -1.495 175.133 176.600 0.046 0.000 0.939 631 K CA -0.528 55.798 56.287 0.065 0.000 0.809 631 K CB 1.517 34.064 32.500 0.077 0.000 1.121 631 K HN 0.513 nan 8.250 nan 0.000 0.425 632 L N 4.122 125.362 121.223 0.028 0.000 2.281 632 L HA 0.313 4.673 4.340 0.033 0.000 0.285 632 L C -0.723 176.146 176.870 -0.001 0.000 1.074 632 L CA -1.048 53.801 54.840 0.015 0.000 0.817 632 L CB 0.391 42.451 42.059 0.002 0.000 1.168 632 L HN 0.473 nan 8.230 nan 0.000 0.434 633 L N 4.374 125.598 121.223 0.001 0.000 2.342 633 L HA 0.608 4.968 4.340 0.033 0.000 0.271 633 L C -0.518 176.260 176.870 -0.154 0.000 1.008 633 L CA -0.383 54.407 54.840 -0.082 0.000 0.818 633 L CB 1.636 43.669 42.059 -0.044 0.000 1.296 633 L HN 0.355 nan 8.230 nan 0.000 0.427 634 Y N -0.447 119.414 120.300 -0.732 0.000 2.900 634 Y HA 0.343 4.912 4.550 0.033 0.000 0.318 634 Y C 0.793 175.960 175.900 -1.222 0.000 1.457 634 Y CA -0.495 57.098 58.100 -0.844 0.000 1.082 634 Y CB 1.484 39.761 38.460 -0.305 0.000 1.419 634 Y HN 0.534 nan 8.280 nan 0.000 0.459 635 S N 0.494 115.367 115.700 -1.380 0.000 2.556 635 S HA 0.312 4.801 4.470 0.033 0.000 0.216 635 S C 0.002 174.339 174.600 -0.439 0.000 0.970 635 S CA 0.077 57.798 58.200 -0.797 0.000 0.912 635 S CB -0.077 62.789 63.200 -0.557 0.000 0.790 635 S HN 0.611 nan 8.310 nan 0.000 0.504 636 R N -1.038 119.266 120.500 -0.326 0.000 2.810 636 R HA 0.649 5.009 4.340 0.033 0.000 0.266 636 R C -0.703 175.584 176.300 -0.023 0.000 1.061 636 R CA -1.131 54.905 56.100 -0.106 0.000 0.943 636 R CB 0.469 30.751 30.300 -0.030 0.000 1.237 636 R HN -0.076 nan 8.270 nan 0.000 0.459 637 M N -0.081 119.513 119.600 -0.010 0.000 2.154 637 M HA 0.481 4.981 4.480 0.033 0.000 0.251 637 M C 1.004 177.320 176.300 0.027 0.000 1.200 637 M CA 0.866 56.168 55.300 0.003 0.000 0.967 637 M CB 0.375 32.970 32.600 -0.008 0.000 1.362 637 M HN 1.054 nan 8.290 nan 0.000 0.522 638 G N 0.620 109.427 108.800 0.011 0.000 2.709 638 G HA2 -0.125 3.854 3.960 0.033 0.000 0.228 638 G HA3 -0.125 3.854 3.960 0.033 0.000 0.228 638 G C -0.732 174.162 174.900 -0.011 0.000 1.215 638 G CA 0.123 45.226 45.100 0.004 0.000 1.003 638 G HN 1.001 nan 8.290 nan 0.000 0.584 639 E N -1.151 119.033 120.200 -0.026 0.000 2.433 639 E HA 0.682 5.052 4.350 0.033 0.000 0.278 639 E C -0.400 176.132 176.600 -0.112 0.000 0.976 639 E CA -0.547 55.816 56.400 -0.061 0.000 0.793 639 E CB 2.361 32.034 29.700 -0.046 0.000 1.311 639 E HN 1.661 nan 8.360 nan 0.000 0.460 640 V N -1.832 117.977 119.914 -0.175 0.000 3.158 640 V HA 0.769 4.909 4.120 0.033 0.000 0.315 640 V C -0.459 175.551 176.094 -0.139 0.000 1.148 640 V CA -0.704 61.464 62.300 -0.219 0.000 1.042 640 V CB 1.687 33.248 31.823 -0.436 0.000 1.101 640 V HN 0.767 nan 8.190 nan 0.000 0.448 641 T N 1.594 116.077 114.554 -0.119 0.000 2.812 641 T HA 0.794 5.164 4.350 0.033 0.000 0.282 641 T C 0.118 174.776 174.700 -0.071 0.000 0.990 641 T CA 0.230 62.284 62.100 -0.077 0.000 0.960 641 T CB 1.318 70.154 68.868 -0.053 0.000 0.948 641 T HN 1.316 nan 8.240 nan 0.000 0.438 642 A N 2.139 124.924 122.820 -0.058 0.000 2.280 642 A HA 0.418 4.757 4.320 0.033 0.000 0.268 642 A C 1.452 179.015 177.584 -0.036 0.000 1.111 642 A CA -0.372 51.636 52.037 -0.047 0.000 0.814 642 A CB 0.094 19.070 19.000 -0.040 0.000 1.093 642 A HN 0.887 nan 8.150 nan 0.000 0.498 643 D N -0.400 119.983 120.400 -0.030 0.000 2.263 643 D HA -0.151 4.508 4.640 0.033 0.000 0.208 643 D C 0.368 176.655 176.300 -0.021 0.000 0.971 643 D CA 1.431 55.417 54.000 -0.024 0.000 0.867 643 D CB -0.295 40.492 40.800 -0.022 0.000 0.929 643 D HN 0.574 nan 8.370 nan 0.000 0.492 644 D N -1.535 118.852 120.400 -0.022 0.000 2.463 644 D HA 0.258 4.918 4.640 0.033 0.000 0.224 644 D C 1.554 177.842 176.300 -0.019 0.000 1.174 644 D CA -0.034 53.955 54.000 -0.019 0.000 0.829 644 D CB -0.143 40.647 40.800 -0.018 0.000 0.993 644 D HN 0.253 nan 8.370 nan 0.000 0.497 645 G N 0.167 108.953 108.800 -0.022 0.000 2.168 645 G HA2 -0.309 3.671 3.960 0.033 0.000 0.263 645 G HA3 -0.309 3.671 3.960 0.033 0.000 0.263 645 G C 0.441 175.326 174.900 -0.024 0.000 0.977 645 G CA 0.494 45.580 45.100 -0.023 0.000 0.659 645 G HN 0.453 nan 8.290 nan 0.000 0.533 646 T N 0.940 115.479 114.554 -0.025 0.000 2.871 646 T HA 0.368 4.738 4.350 0.033 0.000 0.296 646 T C 0.751 175.431 174.700 -0.033 0.000 0.998 646 T CA 0.050 62.135 62.100 -0.025 0.000 1.162 646 T CB 2.019 70.873 68.868 -0.024 0.000 0.947 646 T HN 0.405 nan 8.240 nan 0.000 0.536 647 V N 5.797 125.693 119.914 -0.030 0.000 2.488 647 V HA 0.265 4.405 4.120 0.033 0.000 0.277 647 V C 0.292 176.362 176.094 -0.039 0.000 1.046 647 V CA -0.440 61.838 62.300 -0.037 0.000 0.986 647 V CB 0.573 32.378 31.823 -0.030 0.000 0.989 647 V HN 0.671 nan 8.190 nan 0.000 0.475 648 L N 8.183 129.373 121.223 -0.055 0.000 2.294 648 L HA 0.467 4.827 4.340 0.033 0.000 0.283 648 L C -2.408 174.427 176.870 -0.059 0.000 1.015 648 L CA -1.807 53.000 54.840 -0.055 0.000 0.831 648 L CB 1.916 43.931 42.059 -0.073 0.000 1.217 648 L HN 0.410 nan 8.230 nan 0.000 0.420 649 P HA 0.253 nan 4.420 nan 0.000 0.281 649 P C -0.437 176.845 177.300 -0.030 0.000 1.252 649 P CA -0.111 62.971 63.100 -0.030 0.000 0.778 649 P CB 1.157 32.847 31.700 -0.016 0.000 0.895 650 I N 2.400 122.953 120.570 -0.029 0.000 2.371 650 I HA 0.177 4.367 4.170 0.033 0.000 0.290 650 I C 1.629 177.737 176.117 -0.014 0.000 1.028 650 I CA -0.250 61.036 61.300 -0.023 0.000 1.345 650 I CB 1.232 39.226 38.000 -0.009 0.000 1.407 650 I HN 0.362 nan 8.210 nan 0.000 0.501 651 A N 5.272 128.086 122.820 -0.010 0.000 1.898 651 A HA 0.539 4.879 4.320 0.033 0.000 0.214 651 A C 1.008 178.589 177.584 -0.005 0.000 1.183 651 A CA 1.305 53.341 52.037 -0.001 0.000 0.622 651 A CB -0.008 19.000 19.000 0.013 0.000 0.824 651 A HN 0.807 nan 8.150 nan 0.000 0.444 652 A N -2.039 120.768 122.820 -0.022 0.000 2.586 652 A HA 0.584 4.924 4.320 0.033 0.000 0.290 652 A C 0.006 177.529 177.584 -0.102 0.000 1.086 652 A CA 0.097 52.116 52.037 -0.031 0.000 0.665 652 A CB -0.191 18.817 19.000 0.014 0.000 1.279 652 A HN 0.742 nan 8.150 nan 0.000 0.423 653 T N -1.585 112.902 114.554 -0.110 0.000 2.816 653 T HA 0.529 4.899 4.350 0.033 0.000 0.282 653 T C 0.953 175.569 174.700 -0.141 0.000 0.993 653 T CA 0.104 62.064 62.100 -0.234 0.000 0.994 653 T CB 0.034 68.816 68.868 -0.142 0.000 1.025 653 T HN 0.445 nan 8.240 nan 0.000 0.529 654 F N 0.614 120.566 119.950 0.005 0.000 2.095 654 F HA -0.034 4.512 4.527 0.032 0.000 0.298 654 F C 2.993 178.914 175.800 0.202 0.000 1.104 654 F CA 1.080 59.125 58.000 0.075 0.000 1.232 654 F CB -0.724 38.300 39.000 0.041 0.000 0.987 654 F HN 0.701 nan 8.300 nan 0.000 0.475 655 A N 0.267 123.257 122.820 0.283 0.000 2.014 655 A HA 0.022 4.361 4.320 0.033 0.000 0.218 655 A C 2.412 180.071 177.584 0.125 0.000 1.163 655 A CA 1.458 53.605 52.037 0.183 0.000 0.652 655 A CB -1.413 17.650 19.000 0.104 0.000 0.808 655 A HN 0.406 nan 8.150 nan 0.000 0.449 656 G N -0.947 107.910 108.800 0.095 0.000 2.421 656 G HA2 0.284 4.263 3.960 0.033 0.000 0.217 656 G HA3 0.284 4.263 3.960 0.033 0.000 0.217 656 G C 0.662 175.613 174.900 0.085 0.000 1.143 656 G CA 0.938 46.075 45.100 0.062 0.000 0.784 656 G HN 1.058 nan 8.290 nan 0.000 0.541 657 A N 0.703 123.610 122.820 0.144 0.000 3.030 657 A HA 0.704 5.044 4.320 0.033 0.000 0.335 657 A C -2.709 175.050 177.584 0.291 0.000 1.089 657 A CA -1.138 51.003 52.037 0.173 0.000 0.807 657 A CB 1.173 20.266 19.000 0.156 0.000 1.099 657 A HN 0.090 nan 8.150 nan 0.000 0.474 658 P HA 0.018 nan 4.420 nan 0.000 0.269 658 P C 1.361 178.515 177.300 -0.243 0.000 1.217 658 P CA 0.410 63.491 63.100 -0.033 0.000 0.783 658 P CB 0.790 32.449 31.700 -0.069 0.000 0.898 659 S N 1.403 116.581 115.700 -0.870 0.000 2.440 659 S HA -0.155 4.334 4.470 0.033 0.000 0.238 659 S C 1.785 176.232 174.600 -0.255 0.000 1.010 659 S CA 0.999 58.827 58.200 -0.620 0.000 0.972 659 S CB -1.308 61.427 63.200 -0.776 0.000 0.774 659 S HN 0.328 nan 8.310 nan 0.000 0.501 660 L N 1.767 122.843 121.223 -0.246 0.000 2.103 660 L HA -0.150 4.209 4.340 0.033 0.000 0.215 660 L C 2.947 179.631 176.870 -0.309 0.000 1.080 660 L CA 1.879 56.566 54.840 -0.256 0.000 0.764 660 L CB -1.536 40.355 42.059 -0.281 0.000 0.890 660 L HN 0.664 nan 8.230 nan 0.000 0.435 661 T N -3.379 111.067 114.554 -0.181 0.000 3.129 661 T HA 0.227 4.596 4.350 0.033 0.000 0.251 661 T C 0.326 175.113 174.700 0.144 0.000 1.117 661 T CA 0.143 62.215 62.100 -0.046 0.000 1.034 661 T CB -0.404 68.541 68.868 0.128 0.000 0.968 661 T HN 0.174 nan 8.240 nan 0.000 0.526 662 V N -2.685 117.275 119.914 0.076 0.000 3.113 662 V HA 0.577 4.717 4.120 0.033 0.000 0.316 662 V C -0.099 176.037 176.094 0.070 0.000 1.125 662 V CA -0.951 61.421 62.300 0.120 0.000 1.026 662 V CB 2.135 34.046 31.823 0.147 0.000 1.080 662 V HN 0.002 nan 8.190 nan 0.000 0.444 663 D N 0.893 121.338 120.400 0.075 0.000 2.355 663 D HA 0.483 5.143 4.640 0.033 0.000 0.206 663 D C 0.551 176.835 176.300 -0.027 0.000 1.010 663 D CA 1.464 55.482 54.000 0.031 0.000 0.875 663 D CB 1.514 42.356 40.800 0.070 0.000 0.966 663 D HN 0.977 nan 8.370 nan 0.000 0.512 664 A N 0.215 123.036 122.820 0.002 0.000 2.608 664 A HA 0.528 4.868 4.320 0.033 0.000 0.292 664 A C -1.544 176.058 177.584 0.030 0.000 1.066 664 A CA -0.542 51.483 52.037 -0.019 0.000 0.676 664 A CB 1.579 20.553 19.000 -0.043 0.000 1.277 664 A HN -0.106 nan 8.150 nan 0.000 0.413 665 V N 1.466 121.393 119.914 0.022 0.000 2.588 665 V HA 0.559 4.698 4.120 0.033 0.000 0.304 665 V C -0.624 175.482 176.094 0.020 0.000 1.042 665 V CA -0.214 62.117 62.300 0.052 0.000 0.877 665 V CB 1.489 33.361 31.823 0.081 0.000 0.996 665 V HN 0.696 nan 8.190 nan 0.000 0.425 666 I N 4.337 124.928 120.570 0.036 0.000 2.433 666 I HA 0.547 4.737 4.170 0.033 0.000 0.292 666 I C -0.779 175.371 176.117 0.056 0.000 1.001 666 I CA -0.957 60.387 61.300 0.073 0.000 1.119 666 I CB 2.266 40.337 38.000 0.118 0.000 1.289 666 I HN 0.281 nan 8.210 nan 0.000 0.438 667 V N 7.449 127.411 119.914 0.079 0.000 2.326 667 V HA 0.357 4.497 4.120 0.033 0.000 0.281 667 V C -2.091 174.067 176.094 0.106 0.000 1.015 667 V CA -1.543 60.795 62.300 0.064 0.000 0.823 667 V CB 1.108 32.949 31.823 0.029 0.000 1.009 667 V HN 0.570 nan 8.190 nan 0.000 0.436 668 P HA 0.426 nan 4.420 nan 0.000 0.277 668 P C -0.218 177.102 177.300 0.033 0.000 1.271 668 P CA -0.244 62.873 63.100 0.029 0.000 0.795 668 P CB 1.242 32.949 31.700 0.012 0.000 1.101 669 A N -0.240 122.574 122.820 -0.010 0.000 2.267 669 A HA 0.698 5.038 4.320 0.033 0.000 0.271 669 A C 0.746 178.334 177.584 0.007 0.000 1.131 669 A CA 0.543 52.580 52.037 -0.000 0.000 0.818 669 A CB -0.713 18.267 19.000 -0.032 0.000 1.118 669 A HN 0.866 nan 8.150 nan 0.000 0.501 670 G N -0.560 108.244 108.800 0.006 0.000 2.240 670 G HA2 0.031 4.011 3.960 0.033 0.000 0.199 670 G HA3 0.031 4.011 3.960 0.033 0.000 0.199 670 G C -0.479 174.428 174.900 0.013 0.000 1.342 670 G CA -0.046 45.057 45.100 0.004 0.000 1.145 670 G HN 1.027 nan 8.290 nan 0.000 0.477 671 N N 1.998 120.711 118.700 0.021 0.000 2.892 671 N HA 0.169 4.929 4.740 0.033 0.000 0.300 671 N C 1.878 177.418 175.510 0.050 0.000 1.211 671 N CA -0.290 52.777 53.050 0.028 0.000 1.158 671 N CB -0.352 38.154 38.487 0.032 0.000 1.455 671 N HN 0.406 nan 8.380 nan 0.000 0.524 672 I N 0.653 121.241 120.570 0.030 0.000 2.335 672 I HA -0.252 3.937 4.170 0.033 0.000 0.251 672 I C 2.046 178.165 176.117 0.003 0.000 1.129 672 I CA 0.721 62.038 61.300 0.027 0.000 1.402 672 I CB -1.528 36.443 38.000 -0.049 0.000 1.069 672 I HN 0.430 nan 8.210 nan 0.000 0.424 673 A N 0.603 123.418 122.820 -0.009 0.000 2.032 673 A HA -0.283 4.057 4.320 0.033 0.000 0.221 673 A C 2.076 179.678 177.584 0.030 0.000 1.165 673 A CA 2.119 54.150 52.037 -0.012 0.000 0.645 673 A CB -0.743 18.251 19.000 -0.009 0.000 0.807 673 A HN 0.440 nan 8.150 nan 0.000 0.453 674 D N -0.050 120.395 120.400 0.074 0.000 2.178 674 D HA -0.100 4.559 4.640 0.033 0.000 0.202 674 D C 1.499 177.884 176.300 0.141 0.000 0.974 674 D CA 1.630 55.703 54.000 0.120 0.000 0.841 674 D CB -0.142 40.765 40.800 0.178 0.000 0.953 674 D HN 0.646 nan 8.370 nan 0.000 0.478 675 I N -4.203 116.463 120.570 0.160 0.000 4.403 675 I HA 0.482 4.671 4.170 0.033 0.000 0.331 675 I C 1.945 178.181 176.117 0.199 0.000 1.327 675 I CA -0.083 61.339 61.300 0.203 0.000 1.175 675 I CB 0.015 38.188 38.000 0.288 0.000 1.165 675 I HN -0.115 nan 8.210 nan 0.000 0.413 676 A N 1.580 124.442 122.820 0.071 0.000 1.986 676 A HA -0.189 4.151 4.320 0.033 0.000 0.220 676 A C 1.439 179.017 177.584 -0.011 0.000 1.171 676 A CA 2.277 54.245 52.037 -0.115 0.000 0.640 676 A CB -0.557 18.305 19.000 -0.230 0.000 0.811 676 A HN 0.541 nan 8.150 nan 0.000 0.451 677 D N -0.886 119.529 120.400 0.024 0.000 2.462 677 D HA 0.058 4.717 4.640 0.033 0.000 0.221 677 D C -0.104 176.225 176.300 0.048 0.000 1.173 677 D CA -0.247 53.770 54.000 0.028 0.000 0.831 677 D CB -0.234 40.571 40.800 0.008 0.000 1.001 677 D HN 0.312 nan 8.370 nan 0.000 0.499 678 N N 1.072 119.814 118.700 0.071 0.000 2.442 678 N HA 0.041 4.801 4.740 0.033 0.000 0.265 678 N C 1.398 176.938 175.510 0.050 0.000 1.138 678 N CA 0.094 53.181 53.050 0.062 0.000 0.956 678 N CB 1.495 40.028 38.487 0.078 0.000 1.067 678 N HN 0.039 nan 8.380 nan 0.000 0.474 679 G N 3.281 112.109 108.800 0.047 0.000 2.446 679 G HA2 -0.261 3.719 3.960 0.033 0.000 0.217 679 G HA3 -0.261 3.719 3.960 0.033 0.000 0.217 679 G C 0.950 175.890 174.900 0.067 0.000 1.168 679 G CA 0.563 45.693 45.100 0.051 0.000 0.771 679 G HN 0.605 nan 8.290 nan 0.000 0.551 680 D N 0.916 121.359 120.400 0.070 0.000 2.144 680 D HA -0.015 4.645 4.640 0.033 0.000 0.199 680 D C 2.795 179.058 176.300 -0.063 0.000 0.984 680 D CA 1.193 55.260 54.000 0.112 0.000 0.834 680 D CB -0.434 40.506 40.800 0.233 0.000 0.955 680 D HN 0.311 nan 8.370 nan 0.000 0.465 681 A N 1.194 123.826 122.820 -0.312 0.000 1.855 681 A HA -0.190 4.149 4.320 0.033 0.000 0.215 681 A C 2.020 179.389 177.584 -0.357 0.000 1.191 681 A CA 1.297 52.928 52.037 -0.677 0.000 0.613 681 A CB -0.567 18.094 19.000 -0.566 0.000 0.829 681 A HN 0.151 nan 8.150 nan 0.000 0.442 682 N N -1.479 117.158 118.700 -0.106 0.000 2.104 682 N HA -0.216 4.544 4.740 0.033 0.000 0.190 682 N C 1.699 177.188 175.510 -0.036 0.000 1.024 682 N CA 1.983 55.019 53.050 -0.023 0.000 0.853 682 N CB -0.464 38.085 38.487 0.103 0.000 1.008 682 N HN 0.710 nan 8.380 nan 0.000 0.424 683 Y N 0.383 120.638 120.300 -0.075 0.000 2.314 683 Y HA -0.206 4.363 4.550 0.032 0.000 0.293 683 Y C 2.364 178.214 175.900 -0.083 0.000 1.129 683 Y CA 0.931 58.990 58.100 -0.067 0.000 1.201 683 Y CB -0.352 38.079 38.460 -0.048 0.000 0.999 683 Y HN -0.010 nan 8.280 nan 0.000 0.541 684 Y N 0.566 120.744 120.300 -0.204 0.000 2.102 684 Y HA -0.361 4.209 4.550 0.033 0.000 0.280 684 Y C 2.089 177.791 175.900 -0.330 0.000 1.178 684 Y CA 2.334 60.278 58.100 -0.260 0.000 1.146 684 Y CB -0.521 37.784 38.460 -0.258 0.000 0.968 684 Y HN 0.137 nan 8.280 nan 0.000 0.504 685 L N -1.213 119.925 121.223 -0.143 0.000 2.109 685 L HA -0.247 4.113 4.340 0.033 0.000 0.207 685 L C 2.441 179.185 176.870 -0.210 0.000 1.086 685 L CA 1.239 55.974 54.840 -0.175 0.000 0.760 685 L CB -0.513 41.394 42.059 -0.254 0.000 0.910 685 L HN 0.290 nan 8.230 nan 0.000 0.437 686 M N -0.485 118.937 119.600 -0.296 0.000 2.086 686 M HA -0.243 4.257 4.480 0.033 0.000 0.261 686 M C 2.282 178.318 176.300 -0.440 0.000 1.067 686 M CA 1.828 56.939 55.300 -0.315 0.000 1.116 686 M CB -0.415 31.988 32.600 -0.329 0.000 1.348 686 M HN 0.245 nan 8.290 nan 0.000 0.407 687 E N 0.589 120.339 120.200 -0.750 0.000 2.028 687 E HA -0.179 4.191 4.350 0.033 0.000 0.191 687 E C 2.019 178.251 176.600 -0.614 0.000 0.988 687 E CA 1.273 57.195 56.400 -0.796 0.000 0.799 687 E CB -0.019 29.165 29.700 -0.860 0.000 0.755 687 E HN 0.444 nan 8.360 nan 0.000 0.447 688 A N 0.460 123.033 122.820 -0.411 0.000 1.917 688 A HA -0.238 4.102 4.320 0.033 0.000 0.219 688 A C 2.084 179.554 177.584 -0.190 0.000 1.182 688 A CA 1.718 53.608 52.037 -0.245 0.000 0.633 688 A CB -1.058 17.852 19.000 -0.149 0.000 0.819 688 A HN 0.584 nan 8.150 nan 0.000 0.448 689 Y N 0.493 120.624 120.300 -0.282 0.000 2.089 689 Y HA -0.234 4.335 4.550 0.033 0.000 0.282 689 Y C 2.436 178.200 175.900 -0.228 0.000 1.139 689 Y CA 2.406 60.371 58.100 -0.224 0.000 1.123 689 Y CB -0.379 37.963 38.460 -0.197 0.000 0.980 689 Y HN 0.326 nan 8.280 nan 0.000 0.493 690 K N -0.588 119.676 120.400 -0.227 0.000 2.113 690 K HA -0.258 4.082 4.320 0.033 0.000 0.208 690 K C 1.157 177.602 176.600 -0.260 0.000 1.047 690 K CA 2.202 58.314 56.287 -0.292 0.000 0.928 690 K CB -0.490 31.793 32.500 -0.361 0.000 0.716 690 K HN 0.612 nan 8.250 nan 0.000 0.446 691 H N 0.165 119.107 119.070 -0.213 0.000 2.555 691 H HA 0.178 4.754 4.556 0.033 0.000 0.283 691 H C 0.007 175.173 175.328 -0.269 0.000 1.037 691 H CA 0.177 56.099 56.048 -0.209 0.000 1.169 691 H CB 0.072 29.710 29.762 -0.207 0.000 1.375 691 H HN 0.135 nan 8.280 nan 0.000 0.582 692 L N -0.273 120.797 121.223 -0.255 0.000 4.291 692 L HA -0.278 4.082 4.340 0.033 0.000 0.413 692 L C -0.244 176.367 176.870 -0.431 0.000 1.162 692 L CA 0.535 55.138 54.840 -0.395 0.000 0.961 692 L CB -1.794 40.027 42.059 -0.396 0.000 2.095 692 L HN 0.294 nan 8.230 nan 0.000 0.838 693 K N 0.965 121.176 120.400 -0.315 0.000 2.185 693 K HA 0.421 4.761 4.320 0.033 0.000 0.271 693 K C -2.091 174.371 176.600 -0.230 0.000 1.013 693 K CA -1.694 54.427 56.287 -0.276 0.000 0.943 693 K CB 0.498 32.888 32.500 -0.183 0.000 0.998 693 K HN -0.189 nan 8.250 nan 0.000 0.468 694 P HA 0.080 nan 4.420 nan 0.000 0.268 694 P C -0.765 176.470 177.300 -0.108 0.000 1.204 694 P CA 0.340 63.340 63.100 -0.167 0.000 0.768 694 P CB 0.442 32.041 31.700 -0.167 0.000 0.842 695 I N 1.789 122.310 120.570 -0.082 0.000 2.545 695 I HA 0.632 4.822 4.170 0.033 0.000 0.292 695 I C -0.298 175.775 176.117 -0.073 0.000 1.040 695 I CA -0.862 60.409 61.300 -0.049 0.000 1.068 695 I CB 2.238 40.234 38.000 -0.007 0.000 1.251 695 I HN 0.256 nan 8.210 nan 0.000 0.424 696 A N 7.466 130.251 122.820 -0.058 0.000 2.356 696 A HA 0.924 5.264 4.320 0.033 0.000 0.310 696 A C -1.143 176.542 177.584 0.168 0.000 1.075 696 A CA -0.445 51.539 52.037 -0.088 0.000 0.746 696 A CB 1.068 19.866 19.000 -0.337 0.000 1.221 696 A HN 0.657 nan 8.150 nan 0.000 0.443 697 L N 1.815 123.207 121.223 0.282 0.000 2.409 697 L HA 0.775 5.134 4.340 0.033 0.000 0.272 697 L C 0.131 177.205 176.870 0.339 0.000 0.980 697 L CA -0.585 54.425 54.840 0.283 0.000 0.826 697 L CB 2.103 44.272 42.059 0.183 0.000 1.268 697 L HN 0.794 nan 8.230 nan 0.000 0.407 698 A N 1.809 124.722 122.820 0.154 0.000 2.355 698 A HA 0.882 5.222 4.320 0.033 0.000 0.324 698 A C 0.620 178.181 177.584 -0.038 0.000 1.117 698 A CA 0.186 52.173 52.037 -0.083 0.000 0.785 698 A CB 1.332 20.089 19.000 -0.406 0.000 1.254 698 A HN 0.993 nan 8.150 nan 0.000 0.453 699 G N 1.476 110.241 108.800 -0.058 0.000 2.685 699 G HA2 -0.377 3.602 3.960 0.033 0.000 0.329 699 G HA3 -0.377 3.602 3.960 0.033 0.000 0.329 699 G C 0.590 175.487 174.900 -0.006 0.000 1.271 699 G CA 1.203 46.284 45.100 -0.032 0.000 1.003 699 G HN 0.758 nan 8.290 nan 0.000 0.549 700 D N 1.431 121.824 120.400 -0.011 0.000 2.371 700 D HA 0.318 4.977 4.640 0.033 0.000 0.221 700 D C 2.514 178.806 176.300 -0.014 0.000 0.986 700 D CA 1.374 55.360 54.000 -0.022 0.000 0.899 700 D CB -0.554 40.226 40.800 -0.032 0.000 0.902 700 D HN 0.708 nan 8.370 nan 0.000 0.530 701 A N 0.187 123.040 122.820 0.055 0.000 2.121 701 A HA -0.125 4.215 4.320 0.033 0.000 0.218 701 A C 2.012 179.698 177.584 0.170 0.000 1.154 701 A CA 0.609 52.751 52.037 0.175 0.000 0.679 701 A CB -0.266 18.867 19.000 0.222 0.000 0.795 701 A HN 0.135 nan 8.150 nan 0.000 0.458 702 R N -0.580 119.968 120.500 0.080 0.000 2.241 702 R HA -0.085 4.274 4.340 0.033 0.000 0.224 702 R C 1.537 177.839 176.300 0.004 0.000 1.101 702 R CA 1.057 57.193 56.100 0.060 0.000 0.995 702 R CB -0.133 30.192 30.300 0.041 0.000 0.870 702 R HN 0.208 nan 8.270 nan 0.000 0.463 703 K N 0.209 120.562 120.400 -0.078 0.000 2.218 703 K HA -0.132 4.208 4.320 0.033 0.000 0.205 703 K C 1.325 177.805 176.600 -0.200 0.000 1.046 703 K CA 1.437 57.616 56.287 -0.180 0.000 0.933 703 K CB -0.316 32.002 32.500 -0.305 0.000 0.728 703 K HN 0.189 nan 8.250 nan 0.000 0.454 704 F N 0.912 120.838 119.950 -0.041 0.000 2.407 704 F HA -0.098 4.449 4.527 0.033 0.000 0.299 704 F C 1.716 177.467 175.800 -0.083 0.000 1.097 704 F CA 0.683 58.647 58.000 -0.060 0.000 1.422 704 F CB -0.051 38.914 39.000 -0.059 0.000 1.067 704 F HN -0.034 nan 8.300 nan 0.000 0.539 705 K N 0.279 120.730 120.400 0.085 0.000 2.242 705 K HA -0.246 4.093 4.320 0.033 0.000 0.206 705 K C 2.096 178.670 176.600 -0.044 0.000 1.045 705 K CA 1.216 57.500 56.287 -0.004 0.000 0.930 705 K CB -0.391 32.103 32.500 -0.011 0.000 0.726 705 K HN 0.292 nan 8.250 nan 0.000 0.462 706 A N 0.421 123.225 122.820 -0.026 0.000 2.119 706 A HA -0.045 4.294 4.320 0.033 0.000 0.216 706 A C 1.912 179.471 177.584 -0.042 0.000 1.152 706 A CA 1.209 53.221 52.037 -0.041 0.000 0.708 706 A CB -0.237 18.737 19.000 -0.044 0.000 0.805 706 A HN 0.209 nan 8.150 nan 0.000 0.460 707 T N 0.406 114.948 114.554 -0.020 0.000 3.035 707 T HA 0.063 4.433 4.350 0.033 0.000 0.259 707 T C 1.441 176.076 174.700 -0.108 0.000 1.078 707 T CA 1.211 63.298 62.100 -0.021 0.000 1.132 707 T CB -0.307 68.594 68.868 0.054 0.000 0.900 707 T HN 0.697 nan 8.240 nan 0.000 0.480 708 I N -2.266 118.183 120.570 -0.203 0.000 3.904 708 I HA 0.408 4.597 4.170 0.033 0.000 0.333 708 I C -0.393 175.478 176.117 -0.411 0.000 1.361 708 I CA -0.478 60.559 61.300 -0.439 0.000 1.116 708 I CB 0.020 37.554 38.000 -0.778 0.000 1.028 708 I HN -0.181 nan 8.210 nan 0.000 0.398 709 K N 1.929 122.206 120.400 -0.205 0.000 3.096 709 K HA -0.107 4.233 4.320 0.033 0.000 0.266 709 K C -0.315 176.219 176.600 -0.110 0.000 1.043 709 K CA 0.548 56.761 56.287 -0.123 0.000 0.758 709 K CB -1.917 30.535 32.500 -0.079 0.000 1.260 709 K HN 0.472 nan 8.250 nan 0.000 0.481 710 I N 0.463 120.961 120.570 -0.121 0.000 2.342 710 I HA 0.250 4.440 4.170 0.033 0.000 0.291 710 I C 1.349 177.444 176.117 -0.036 0.000 1.010 710 I CA -0.894 60.361 61.300 -0.075 0.000 1.308 710 I CB 0.855 38.808 38.000 -0.079 0.000 1.400 710 I HN 0.221 nan 8.210 nan 0.000 0.488 711 A N 4.967 127.777 122.820 -0.016 0.000 2.425 711 A HA 0.080 4.420 4.320 0.033 0.000 0.242 711 A C 1.124 178.704 177.584 -0.007 0.000 1.077 711 A CA -0.219 51.813 52.037 -0.009 0.000 0.781 711 A CB 0.131 19.130 19.000 -0.001 0.000 1.020 711 A HN 0.760 nan 8.150 nan 0.000 0.494 712 D N 0.640 121.036 120.400 -0.007 0.000 2.149 712 D HA -0.227 4.432 4.640 0.033 0.000 0.194 712 D C 2.011 178.312 176.300 0.001 0.000 1.001 712 D CA 2.362 56.360 54.000 -0.004 0.000 0.849 712 D CB -0.201 40.596 40.800 -0.005 0.000 0.939 712 D HN 0.821 nan 8.370 nan 0.000 0.449 713 Q N -0.067 119.734 119.800 0.002 0.000 2.500 713 Q HA 0.220 4.580 4.340 0.033 0.000 0.213 713 Q C 1.144 177.148 176.000 0.007 0.000 0.974 713 Q CA 0.787 56.593 55.803 0.005 0.000 0.918 713 Q CB -0.032 28.709 28.738 0.004 0.000 0.980 713 Q HN 0.185 nan 8.270 nan 0.000 0.505 714 G N 0.485 109.289 108.800 0.006 0.000 2.685 714 G HA2 -0.209 3.771 3.960 0.033 0.000 0.387 714 G HA3 -0.209 3.771 3.960 0.033 0.000 0.387 714 G C -1.294 173.611 174.900 0.010 0.000 1.324 714 G CA -0.291 44.814 45.100 0.008 0.000 0.878 714 G HN 0.346 nan 8.290 nan 0.000 0.527 715 E N -0.596 119.611 120.200 0.011 0.000 2.354 715 E HA 0.372 4.741 4.350 0.033 0.000 0.283 715 E C -0.526 176.074 176.600 -0.000 0.000 0.938 715 E CA -0.752 55.658 56.400 0.016 0.000 0.777 715 E CB 0.990 30.717 29.700 0.044 0.000 1.222 715 E HN 0.482 nan 8.360 nan 0.000 0.423 716 E N 1.693 121.886 120.200 -0.013 0.000 2.480 716 E HA 0.137 4.507 4.350 0.033 0.000 0.258 716 E C 0.773 177.337 176.600 -0.061 0.000 0.984 716 E CA 1.591 57.969 56.400 -0.037 0.000 0.930 716 E CB 0.999 30.676 29.700 -0.038 0.000 0.936 716 E HN 0.892 nan 8.360 nan 0.000 0.466 717 G N 3.140 111.889 108.800 -0.083 0.000 2.194 717 G HA2 -0.213 3.766 3.960 0.033 0.000 0.236 717 G HA3 -0.213 3.766 3.960 0.033 0.000 0.236 717 G C 0.192 175.047 174.900 -0.076 0.000 0.987 717 G CA -0.286 44.747 45.100 -0.113 0.000 0.635 717 G HN 0.431 nan 8.290 nan 0.000 0.520 718 I N 1.986 122.532 120.570 -0.039 0.000 2.354 718 I HA 0.473 4.663 4.170 0.033 0.000 0.286 718 I C 0.459 176.541 176.117 -0.059 0.000 1.007 718 I CA -1.123 60.162 61.300 -0.025 0.000 1.167 718 I CB 1.258 39.271 38.000 0.020 0.000 1.320 718 I HN -0.110 nan 8.210 nan 0.000 0.458 719 V N 7.413 127.255 119.914 -0.120 0.000 2.465 719 V HA 0.417 4.556 4.120 0.033 0.000 0.279 719 V C 0.201 176.252 176.094 -0.071 0.000 1.045 719 V CA -0.401 61.783 62.300 -0.193 0.000 0.938 719 V CB 1.363 32.912 31.823 -0.458 0.000 0.986 719 V HN 0.876 nan 8.190 nan 0.000 0.467 720 E N 4.137 124.374 120.200 0.062 0.000 2.352 720 E HA 0.845 5.214 4.350 0.033 0.000 0.280 720 E C -1.126 175.632 176.600 0.263 0.000 0.930 720 E CA -0.945 55.590 56.400 0.225 0.000 0.765 720 E CB 2.422 32.193 29.700 0.119 0.000 1.219 720 E HN 0.803 nan 8.360 nan 0.000 0.434 721 A N 2.074 125.063 122.820 0.282 0.000 2.601 721 A HA 0.385 4.724 4.320 0.033 0.000 0.291 721 A C -0.428 177.171 177.584 0.025 0.000 1.075 721 A CA -0.572 51.558 52.037 0.155 0.000 0.671 721 A CB 1.394 20.531 19.000 0.227 0.000 1.277 721 A HN 0.596 nan 8.150 nan 0.000 0.417 722 D N 0.446 120.843 120.400 -0.005 0.000 2.158 722 D HA -0.014 4.646 4.640 0.033 0.000 0.197 722 D C 1.167 177.410 176.300 -0.094 0.000 0.995 722 D CA 2.567 56.545 54.000 -0.037 0.000 0.846 722 D CB 0.084 40.869 40.800 -0.026 0.000 0.941 722 D HN 0.824 nan 8.370 nan 0.000 0.456 723 S N -2.361 113.245 115.700 -0.157 0.000 2.705 723 S HA 0.671 5.160 4.470 0.033 0.000 0.280 723 S C -0.007 174.289 174.600 -0.508 0.000 1.174 723 S CA -0.354 57.690 58.200 -0.259 0.000 0.823 723 S CB 1.642 64.747 63.200 -0.158 0.000 1.162 723 S HN -0.051 nan 8.310 nan 0.000 0.487 724 A N 0.781 123.269 122.820 -0.553 0.000 2.359 724 A HA 0.344 4.684 4.320 0.033 0.000 0.240 724 A C 0.581 178.031 177.584 -0.223 0.000 1.306 724 A CA 0.324 51.930 52.037 -0.718 0.000 0.898 724 A CB -1.941 16.762 19.000 -0.496 0.000 0.956 724 A HN 0.977 nan 8.150 nan 0.000 0.497 725 D N -0.837 119.482 120.400 -0.136 0.000 2.045 725 D HA 0.029 4.689 4.640 0.033 0.000 0.229 725 D C 1.357 177.697 176.300 0.067 0.000 1.406 725 D CA 0.896 54.887 54.000 -0.016 0.000 0.910 725 D CB -0.120 40.678 40.800 -0.004 0.000 1.473 725 D HN 0.015 nan 8.370 nan 0.000 0.554 726 G N -1.542 107.294 108.800 0.059 0.000 2.394 726 G HA2 -0.228 3.752 3.960 0.033 0.000 0.215 726 G HA3 -0.228 3.752 3.960 0.033 0.000 0.215 726 G C 1.628 176.580 174.900 0.086 0.000 1.165 726 G CA 0.922 46.062 45.100 0.066 0.000 0.784 726 G HN 0.560 nan 8.290 nan 0.000 0.535 727 S N -0.041 115.710 115.700 0.085 0.000 2.370 727 S HA -0.180 4.309 4.470 0.033 0.000 0.226 727 S C 2.090 176.760 174.600 0.117 0.000 1.033 727 S CA 1.644 59.893 58.200 0.082 0.000 1.011 727 S CB -0.467 62.776 63.200 0.071 0.000 0.852 727 S HN 0.362 nan 8.310 nan 0.000 0.457 728 F N 1.784 121.732 119.950 -0.003 0.000 2.065 728 F HA -0.126 4.421 4.527 0.033 0.000 0.298 728 F C 2.207 178.003 175.800 -0.005 0.000 1.112 728 F CA 2.013 60.011 58.000 -0.004 0.000 1.212 728 F CB -0.339 38.660 39.000 -0.001 0.000 0.975 728 F HN 0.213 nan 8.300 nan 0.000 0.476 729 M N 0.243 119.990 119.600 0.244 0.000 2.175 729 M HA -0.176 4.324 4.480 0.033 0.000 0.264 729 M C 1.843 178.144 176.300 0.000 0.000 1.063 729 M CA 1.397 56.761 55.300 0.108 0.000 1.119 729 M CB -1.401 31.290 32.600 0.151 0.000 1.377 729 M HN 0.139 nan 8.290 nan 0.000 0.415 730 D N 0.396 120.805 120.400 0.014 0.000 2.123 730 D HA -0.151 4.508 4.640 0.033 0.000 0.196 730 D C 1.995 178.269 176.300 -0.044 0.000 0.992 730 D CA 1.188 55.182 54.000 -0.010 0.000 0.833 730 D CB -0.118 40.684 40.800 0.004 0.000 0.954 730 D HN 0.476 nan 8.370 nan 0.000 0.455 731 E N 0.321 120.479 120.200 -0.070 0.000 2.051 731 E HA -0.122 4.248 4.350 0.033 0.000 0.192 731 E C 2.169 178.684 176.600 -0.142 0.000 0.991 731 E CA 0.171 56.510 56.400 -0.102 0.000 0.799 731 E CB -0.053 29.573 29.700 -0.124 0.000 0.748 731 E HN 0.157 nan 8.360 nan 0.000 0.449 732 L N 1.032 122.131 121.223 -0.207 0.000 1.989 732 L HA -0.215 4.144 4.340 0.033 0.000 0.211 732 L C 2.277 179.076 176.870 -0.120 0.000 1.071 732 L CA 1.659 56.377 54.840 -0.203 0.000 0.749 732 L CB -0.503 41.400 42.059 -0.260 0.000 0.890 732 L HN 0.254 nan 8.230 nan 0.000 0.431 733 L N -0.685 120.489 121.223 -0.083 0.000 2.131 733 L HA -0.227 4.133 4.340 0.033 0.000 0.210 733 L C 2.471 179.313 176.870 -0.046 0.000 1.092 733 L CA 1.538 56.347 54.840 -0.051 0.000 0.759 733 L CB -0.717 41.323 42.059 -0.031 0.000 0.903 733 L HN 0.288 nan 8.230 nan 0.000 0.435 734 T N 0.178 114.701 114.554 -0.051 0.000 2.684 734 T HA -0.196 4.174 4.350 0.033 0.000 0.267 734 T C 1.948 176.615 174.700 -0.056 0.000 1.036 734 T CA 1.316 63.391 62.100 -0.042 0.000 1.148 734 T CB -0.255 68.589 68.868 -0.039 0.000 0.863 734 T HN 0.199 nan 8.240 nan 0.000 0.436 735 L N 0.223 121.394 121.223 -0.088 0.000 2.012 735 L HA -0.108 4.251 4.340 0.033 0.000 0.210 735 L C 2.734 179.536 176.870 -0.113 0.000 1.073 735 L CA 1.418 56.185 54.840 -0.121 0.000 0.748 735 L CB -0.517 41.451 42.059 -0.152 0.000 0.891 735 L HN 0.320 nan 8.230 nan 0.000 0.431 736 M N -0.852 118.697 119.600 -0.086 0.000 2.213 736 M HA -0.188 4.312 4.480 0.033 0.000 0.263 736 M C 2.384 178.681 176.300 -0.004 0.000 1.062 736 M CA 1.692 56.960 55.300 -0.054 0.000 1.105 736 M CB -0.463 32.115 32.600 -0.037 0.000 1.385 736 M HN 0.322 nan 8.290 nan 0.000 0.417 737 A N 0.097 122.915 122.820 -0.002 0.000 2.067 737 A HA 0.074 4.413 4.320 0.033 0.000 0.219 737 A C 2.118 179.742 177.584 0.066 0.000 1.158 737 A CA 1.624 53.681 52.037 0.033 0.000 0.661 737 A CB -0.573 18.442 19.000 0.024 0.000 0.801 737 A HN 0.498 nan 8.150 nan 0.000 0.452 738 A N -2.665 120.171 122.820 0.027 0.000 2.275 738 A HA 0.373 4.713 4.320 0.033 0.000 0.212 738 A C 0.908 178.507 177.584 0.025 0.000 1.201 738 A CA 1.189 53.251 52.037 0.042 0.000 0.843 738 A CB -0.428 18.553 19.000 -0.031 0.000 0.873 738 A HN 0.929 nan 8.150 nan 0.000 0.492 739 H N -1.234 117.771 119.070 -0.108 0.000 4.856 739 H HA -0.183 4.393 4.556 0.033 0.000 0.059 739 H C 0.031 175.140 175.328 -0.365 0.000 0.596 739 H CA 2.366 58.334 56.048 -0.133 0.000 0.946 739 H CB -0.596 29.188 29.762 0.036 0.000 0.453 739 H HN 0.452 nan 8.280 nan 0.000 0.801 740 R N -0.305 119.617 120.500 -0.962 0.000 2.836 740 R HA 0.615 4.974 4.340 0.033 0.000 0.269 740 R C -0.640 174.812 176.300 -1.413 0.000 1.010 740 R CA -0.293 55.017 56.100 -1.316 0.000 0.930 740 R CB 1.708 30.912 30.300 -1.828 0.000 1.218 740 R HN 0.085 nan 8.270 nan 0.000 0.473 741 V N 2.261 121.568 119.914 -1.011 0.000 2.174 741 V HA 0.111 4.250 4.120 0.033 0.000 0.259 741 V C 0.732 176.449 176.094 -0.629 0.000 1.261 741 V CA -0.454 61.426 62.300 -0.701 0.000 1.137 741 V CB -0.377 31.184 31.823 -0.438 0.000 1.290 741 V HN 0.713 nan 8.190 nan 0.000 0.486 742 W N 1.571 122.591 121.300 -0.465 0.000 2.374 742 W HA -0.186 4.493 4.660 0.032 0.000 0.288 742 W C 2.536 178.851 176.519 -0.340 0.000 1.218 742 W CA 0.882 57.866 57.345 -0.602 0.000 1.245 742 W CB -0.413 28.307 29.460 -1.232 0.000 1.126 742 W HN 0.646 nan 8.180 nan 0.000 0.545 743 S N 0.685 116.338 115.700 -0.077 0.000 2.469 743 S HA -0.172 4.318 4.470 0.033 0.000 0.238 743 S C 1.691 176.256 174.600 -0.059 0.000 0.998 743 S CA 0.986 59.162 58.200 -0.039 0.000 0.957 743 S CB -0.440 62.737 63.200 -0.038 0.000 0.764 743 S HN 0.416 nan 8.310 nan 0.000 0.514 744 R N 0.660 121.083 120.500 -0.128 0.000 2.275 744 R HA 0.249 4.609 4.340 0.033 0.000 0.199 744 R C 1.780 178.010 176.300 -0.116 0.000 0.989 744 R CA 0.353 56.354 56.100 -0.164 0.000 1.016 744 R CB -0.343 29.752 30.300 -0.341 0.000 0.918 744 R HN 0.477 nan 8.270 nan 0.000 0.473 745 I N 1.760 122.302 120.570 -0.046 0.000 2.151 745 I HA -0.223 3.967 4.170 0.033 0.000 0.243 745 I C -0.802 175.335 176.117 0.033 0.000 1.080 745 I CA 1.320 62.632 61.300 0.020 0.000 1.339 745 I CB -0.895 37.166 38.000 0.102 0.000 1.039 745 I HN 0.141 nan 8.210 nan 0.000 0.409 746 P HA -0.150 nan 4.420 nan 0.000 0.225 746 P C 0.991 178.318 177.300 0.044 0.000 1.148 746 P CA 1.364 64.491 63.100 0.045 0.000 0.779 746 P CB -0.094 31.632 31.700 0.042 0.000 0.780 747 K N -0.428 119.993 120.400 0.035 0.000 2.361 747 K HA 0.118 4.458 4.320 0.033 0.000 0.196 747 K C 1.896 178.555 176.600 0.098 0.000 1.039 747 K CA 0.578 56.910 56.287 0.075 0.000 1.001 747 K CB -0.246 32.327 32.500 0.122 0.000 0.795 747 K HN 0.293 nan 8.250 nan 0.000 0.495 748 I N -1.396 119.199 120.570 0.041 0.000 3.111 748 I HA -0.052 4.138 4.170 0.033 0.000 0.272 748 I C 1.065 177.219 176.117 0.062 0.000 1.268 748 I CA 0.913 62.238 61.300 0.043 0.000 1.467 748 I CB -0.050 37.923 38.000 -0.046 0.000 1.087 748 I HN -0.123 nan 8.210 nan 0.000 0.467 749 D N 2.510 122.949 120.400 0.065 0.000 2.182 749 D HA -0.154 4.506 4.640 0.033 0.000 0.201 749 D C 1.765 178.103 176.300 0.063 0.000 0.986 749 D CA 1.404 55.444 54.000 0.067 0.000 0.847 749 D CB 0.103 40.942 40.800 0.066 0.000 0.942 749 D HN 0.448 nan 8.370 nan 0.000 0.467 750 K N -0.161 120.277 120.400 0.063 0.000 2.361 750 K HA 0.226 4.565 4.320 0.033 0.000 0.194 750 K C 0.796 177.427 176.600 0.051 0.000 1.032 750 K CA -0.149 56.170 56.287 0.053 0.000 1.048 750 K CB 1.086 33.616 32.500 0.049 0.000 0.842 750 K HN 0.106 nan 8.250 nan 0.000 0.526 751 I N 3.672 124.279 120.570 0.063 0.000 2.352 751 I HA 0.140 4.329 4.170 0.033 0.000 0.290 751 I C -2.247 173.898 176.117 0.047 0.000 1.036 751 I CA -2.386 58.946 61.300 0.054 0.000 1.336 751 I CB 1.020 39.072 38.000 0.086 0.000 1.407 751 I HN -0.013 nan 8.210 nan 0.000 0.497 752 P HA 0.346 nan 4.420 nan 0.000 0.256 752 P C -0.919 176.439 177.300 0.096 0.000 1.689 752 P CA -0.093 63.044 63.100 0.060 0.000 1.124 752 P CB 0.510 32.241 31.700 0.052 0.000 1.766 753 A N 0.000 122.876 122.820 0.093 0.000 2.254 753 A HA 0.000 4.340 4.320 0.033 0.000 0.244 753 A CA 0.000 52.131 52.037 0.157 0.000 0.836 753 A CB 0.000 18.948 19.000 -0.087 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486