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 1tzl_1_C DATA FIRST_RESID 44 DATA SEQUENCE DIKYDVVIVG SGPIGCTYAR ELVGAGYKVA XFDIGEIDSG LKIGAHKKNT DATA SEQUENCE VEYQKNIDKF VNVIQGQLXS VSVPVNTLVV DTLSPTSWQA STFFVRNGSN DATA SEQUENCE PEQDPLRNLS GQAVTRVVGG XSTHWTCATP RFDREQRPLL VKDDADADDA DATA SEQUENCE EWDRLYTKAE SYFQTGTDQF KESIRHNLVL NKLAEEYKGQ RDFQQIPLAA DATA SEQUENCE TRRSPTFVEW SSANTVFDLQ NRPNTDAPEE RFNLFPAVAC ERVVRNALNS DATA SEQUENCE EIESLHIHDL ISGDRFEIKA DVYVLTAGAV HNTQLLVNSG FGQLGRPNPT DATA SEQUENCE NPPELLPSLG SYITEQSLVF CQTVXSTELI DSVKSDXTIR GTPGELTYSV DATA SEQUENCE TYTPGASTNK HPDWWNEKVK NHXXQHQEDP LPIPFEDPEP QVTTLFQPSH DATA SEQUENCE PWHTQIHRDA FSYGAVQQSI DSRLIVDWRF FGRTEPKEEN KLWFSDKITD DATA SEQUENCE AYNXPQPTFD FRFPAGRTSK EAEDXXTDXC VXSAKIGGFL PGSLPQFXEP DATA SEQUENCE GLVLHLGGTH RXGFDEKEDN CCVNTDSRVF GFKNLFLGGC GNIPTAYGAN DATA SEQUENCE PTLTAXSLAI KSCEYIKQNF TPSPFT 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 44 D HA 0.000 nan 4.640 nan 0.000 0.175 44 D C 0.000 176.238 176.300 -0.103 0.000 2.045 44 D CA 0.000 53.978 54.000 -0.037 0.000 0.868 44 D CB 0.000 40.796 40.800 -0.006 0.000 0.688 45 I N 0.643 121.093 120.570 -0.200 0.000 2.130 45 I HA -0.035 4.135 4.170 -0.000 0.000 0.232 45 I C 0.469 176.469 176.117 -0.195 0.000 1.064 45 I CA 1.148 62.355 61.300 -0.155 0.000 1.338 45 I CB 0.074 38.000 38.000 -0.122 0.000 1.084 45 I HN 0.328 nan 8.210 nan 0.000 0.404 46 K N -0.031 120.156 120.400 -0.355 0.000 2.426 46 K HA 0.345 4.664 4.320 -0.000 0.000 0.254 46 K C -1.825 174.506 176.600 -0.449 0.000 0.936 46 K CA -0.441 55.696 56.287 -0.250 0.000 0.801 46 K CB 1.226 33.656 32.500 -0.116 0.000 1.139 46 K HN 0.116 nan 8.250 nan 0.000 0.424 47 Y N 1.547 121.847 120.300 -0.000 0.000 2.567 47 Y HA 0.257 4.807 4.550 -0.000 0.000 0.333 47 Y C 0.731 176.619 175.900 -0.021 0.000 1.106 47 Y CA -0.590 57.506 58.100 -0.008 0.000 1.157 47 Y CB 1.665 40.124 38.460 -0.003 0.000 1.277 47 Y HN 0.680 nan 8.280 nan 0.000 0.490 48 D N 0.167 120.669 120.400 0.170 0.000 2.120 48 D HA 0.015 4.654 4.640 -0.000 0.000 0.202 48 D C -0.295 176.020 176.300 0.026 0.000 0.972 48 D CA 1.360 55.441 54.000 0.135 0.000 0.837 48 D CB 0.208 41.163 40.800 0.258 0.000 0.989 48 D HN 0.124 nan 8.370 nan 0.000 0.469 49 V N 0.883 120.811 119.914 0.023 0.000 2.709 49 V HA 0.387 4.507 4.120 -0.000 0.000 0.308 49 V C -0.366 175.658 176.094 -0.116 0.000 1.062 49 V CA -0.819 61.403 62.300 -0.129 0.000 0.901 49 V CB 2.938 34.664 31.823 -0.162 0.000 1.003 49 V HN -0.254 nan 8.190 nan 0.000 0.425 50 V N 5.894 125.696 119.914 -0.186 0.000 2.487 50 V HA 0.567 4.687 4.120 -0.000 0.000 0.298 50 V C -0.503 175.557 176.094 -0.057 0.000 1.028 50 V CA -0.359 61.886 62.300 -0.091 0.000 0.860 50 V CB 1.904 33.715 31.823 -0.020 0.000 0.991 50 V HN 0.702 nan 8.190 nan 0.000 0.427 51 I N 5.177 125.734 120.570 -0.021 0.000 2.436 51 I HA 0.436 4.605 4.170 -0.000 0.000 0.289 51 I C -0.535 175.613 176.117 0.052 0.000 1.010 51 I CA -0.916 60.356 61.300 -0.046 0.000 1.098 51 I CB 2.137 40.089 38.000 -0.080 0.000 1.266 51 I HN 0.221 nan 8.210 nan 0.000 0.434 52 V N 5.555 125.484 119.914 0.025 0.000 2.368 52 V HA 0.741 4.860 4.120 -0.000 0.000 0.266 52 V C 0.535 176.638 176.094 0.015 0.000 1.045 52 V CA -0.170 62.162 62.300 0.055 0.000 0.899 52 V CB 0.409 32.239 31.823 0.011 0.000 1.006 52 V HN 1.075 nan 8.190 nan 0.000 0.470 53 G N 3.929 112.753 108.800 0.041 0.000 3.069 53 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.686 53 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.686 53 G C -0.082 174.833 174.900 0.026 0.000 1.161 53 G CA -0.261 44.852 45.100 0.023 0.000 0.804 53 G HN 1.280 nan 8.290 nan 0.000 0.608 54 S N 1.160 116.878 115.700 0.030 0.000 2.562 54 S HA 0.614 5.084 4.470 -0.000 0.000 0.246 54 S C 1.283 175.893 174.600 0.017 0.000 1.056 54 S CA 0.713 58.937 58.200 0.040 0.000 1.042 54 S CB 0.515 63.752 63.200 0.063 0.000 0.822 54 S HN 1.941 nan 8.310 nan 0.000 0.465 55 G N 2.643 111.441 108.800 -0.003 0.000 2.570 55 G HA2 0.381 4.341 3.960 -0.000 0.000 0.276 55 G HA3 0.381 4.341 3.960 -0.000 0.000 0.276 55 G C -1.162 173.707 174.900 -0.052 0.000 1.346 55 G CA -1.188 43.890 45.100 -0.036 0.000 1.034 55 G HN 0.283 nan 8.290 nan 0.000 0.512 56 P HA -0.041 nan 4.420 nan 0.000 0.221 56 P C 1.741 178.958 177.300 -0.139 0.000 1.150 56 P CA 0.665 63.681 63.100 -0.139 0.000 0.800 56 P CB 0.194 31.796 31.700 -0.163 0.000 0.787 57 I N 0.290 120.817 120.570 -0.070 0.000 2.277 57 I HA -0.039 4.131 4.170 -0.000 0.000 0.243 57 I C 2.706 178.873 176.117 0.084 0.000 1.094 57 I CA 1.538 62.836 61.300 -0.004 0.000 1.393 57 I CB -2.296 35.730 38.000 0.045 0.000 1.078 57 I HN -0.003 nan 8.210 nan 0.000 0.417 58 G N 0.311 109.140 108.800 0.048 0.000 2.440 58 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 58 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 58 G C 1.786 176.690 174.900 0.006 0.000 1.154 58 G CA 1.107 46.230 45.100 0.038 0.000 0.767 58 G HN 0.412 nan 8.290 nan 0.000 0.552 59 C N 0.479 119.756 119.300 -0.038 0.000 2.432 59 C HA 0.033 4.493 4.460 -0.000 0.000 0.280 59 C C 3.199 178.082 174.990 -0.179 0.000 1.353 59 C CA 1.356 60.316 59.018 -0.097 0.000 1.766 59 C CB -0.961 26.759 27.740 -0.033 0.000 1.924 59 C HN 0.450 nan 8.230 nan 0.000 0.509 60 T N -0.030 114.438 114.554 -0.143 0.000 2.708 60 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 60 T C 1.468 176.044 174.700 -0.208 0.000 1.037 60 T CA 1.667 63.664 62.100 -0.171 0.000 1.146 60 T CB -0.405 68.367 68.868 -0.162 0.000 0.865 60 T HN 0.575 nan 8.240 nan 0.000 0.435 61 Y N 1.273 121.446 120.300 -0.211 0.000 2.242 61 Y HA 0.013 4.563 4.550 -0.000 0.000 0.291 61 Y C 2.677 178.381 175.900 -0.326 0.000 1.137 61 Y CA 0.801 58.757 58.100 -0.239 0.000 1.181 61 Y CB -0.531 37.804 38.460 -0.210 0.000 0.989 61 Y HN 0.198 nan 8.280 nan 0.000 0.527 62 A N 0.086 122.745 122.820 -0.270 0.000 1.873 62 A HA -0.197 4.123 4.320 -0.000 0.000 0.215 62 A C 2.273 179.336 177.584 -0.870 0.000 1.186 62 A CA 1.624 53.279 52.037 -0.637 0.000 0.616 62 A CB -0.683 17.739 19.000 -0.963 0.000 0.823 62 A HN 0.393 nan 8.150 nan 0.000 0.442 63 R N -0.309 119.747 120.500 -0.740 0.000 2.094 63 R HA -0.177 4.163 4.340 -0.000 0.000 0.239 63 R C 2.091 178.203 176.300 -0.313 0.000 1.137 63 R CA 1.854 57.661 56.100 -0.488 0.000 0.943 63 R CB -0.271 29.748 30.300 -0.468 0.000 0.850 63 R HN 0.575 nan 8.270 nan 0.000 0.433 64 E N 0.407 120.455 120.200 -0.254 0.000 2.051 64 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 64 E C 2.159 178.694 176.600 -0.110 0.000 0.991 64 E CA 1.287 57.601 56.400 -0.142 0.000 0.799 64 E CB -0.140 29.470 29.700 -0.150 0.000 0.748 64 E HN 0.427 nan 8.360 nan 0.000 0.449 65 L N 0.386 121.512 121.223 -0.161 0.000 2.127 65 L HA -0.080 4.260 4.340 -0.000 0.000 0.203 65 L C 2.596 179.504 176.870 0.064 0.000 1.080 65 L CA 0.360 55.141 54.840 -0.099 0.000 0.768 65 L CB -0.369 41.534 42.059 -0.259 0.000 0.924 65 L HN -0.043 nan 8.230 nan 0.000 0.444 66 V N 0.579 120.452 119.914 -0.068 0.000 2.287 66 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 66 V C 2.643 178.772 176.094 0.059 0.000 1.053 66 V CA 2.119 64.424 62.300 0.008 0.000 1.027 66 V CB -1.394 30.351 31.823 -0.129 0.000 0.646 66 V HN 0.575 nan 8.190 nan 0.000 0.447 67 G N -0.557 108.248 108.800 0.008 0.000 2.462 67 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.220 67 G HA3 -0.138 3.821 3.960 -0.000 0.000 0.220 67 G C 1.427 176.358 174.900 0.052 0.000 1.121 67 G CA 0.891 46.008 45.100 0.028 0.000 0.758 67 G HN 0.662 nan 8.290 nan 0.000 0.559 68 A N -0.747 122.137 122.820 0.105 0.000 2.275 68 A HA 0.513 4.833 4.320 -0.000 0.000 0.212 68 A C 1.878 179.506 177.584 0.073 0.000 1.201 68 A CA 1.156 53.274 52.037 0.135 0.000 0.843 68 A CB -0.224 18.928 19.000 0.254 0.000 0.873 68 A HN 1.500 nan 8.150 nan 0.000 0.492 69 G N -2.248 106.600 108.800 0.080 0.000 2.179 69 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 69 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 69 G C -0.008 174.882 174.900 -0.017 0.000 0.990 69 G CA -0.039 45.061 45.100 0.000 0.000 0.646 69 G HN 0.359 nan 8.290 nan 0.000 0.517 70 Y N 0.985 121.315 120.300 0.049 0.000 2.411 70 Y HA 0.403 4.953 4.550 -0.000 0.000 0.333 70 Y C 1.185 177.132 175.900 0.079 0.000 1.186 70 Y CA 0.280 58.410 58.100 0.050 0.000 1.381 70 Y CB 0.703 39.171 38.460 0.013 0.000 1.273 70 Y HN 0.044 nan 8.280 nan 0.000 0.546 71 K N 3.254 123.787 120.400 0.222 0.000 2.262 71 K HA 0.330 4.649 4.320 -0.000 0.000 0.288 71 K C -1.456 175.293 176.600 0.249 0.000 1.090 71 K CA -0.116 56.295 56.287 0.207 0.000 0.918 71 K CB -0.114 32.468 32.500 0.136 0.000 1.139 71 K HN 0.462 nan 8.250 nan 0.000 0.462 72 V N 3.421 123.454 119.914 0.198 0.000 2.435 72 V HA 0.578 4.698 4.120 -0.000 0.000 0.290 72 V C 0.093 176.089 176.094 -0.163 0.000 1.030 72 V CA -0.689 61.658 62.300 0.078 0.000 0.881 72 V CB 1.290 33.194 31.823 0.134 0.000 0.983 72 V HN 0.889 nan 8.190 nan 0.000 0.445 76 D N 2.722 123.220 120.400 0.163 0.000 2.879 76 D HA 0.357 4.997 4.640 -0.000 0.000 0.236 76 D C 0.277 176.606 176.300 0.048 0.000 1.171 76 D CA -0.388 53.657 54.000 0.076 0.000 0.868 76 D CB 2.697 43.523 40.800 0.045 0.000 1.598 76 D HN 0.689 nan 8.370 nan 0.000 0.497 77 I N 1.896 122.445 120.570 -0.035 0.000 2.546 77 I HA 0.073 4.243 4.170 -0.000 0.000 0.255 77 I C 1.120 177.197 176.117 -0.067 0.000 1.163 77 I CA 0.716 61.949 61.300 -0.113 0.000 1.457 77 I CB 0.134 37.945 38.000 -0.315 0.000 1.092 77 I HN 0.340 nan 8.210 nan 0.000 0.434 78 G N 0.066 108.847 108.800 -0.032 0.000 2.543 78 G HA2 0.376 4.336 3.960 -0.000 0.000 0.290 78 G HA3 0.376 4.336 3.960 -0.000 0.000 0.290 78 G C -0.833 174.089 174.900 0.036 0.000 1.310 78 G CA -0.427 44.681 45.100 0.013 0.000 1.025 78 G HN 0.326 nan 8.290 nan 0.000 0.502 79 E N -1.364 118.864 120.200 0.046 0.000 2.281 79 E HA 0.363 4.713 4.350 -0.000 0.000 0.262 79 E C -0.471 176.158 176.600 0.047 0.000 0.933 79 E CA -0.792 55.637 56.400 0.048 0.000 0.809 79 E CB 2.469 32.200 29.700 0.052 0.000 1.242 79 E HN 0.278 nan 8.360 nan 0.000 0.418 80 I N 1.733 122.329 120.570 0.044 0.000 2.662 80 I HA -0.080 4.089 4.170 -0.000 0.000 0.285 80 I C 0.467 176.617 176.117 0.054 0.000 1.161 80 I CA 0.937 62.264 61.300 0.045 0.000 1.415 80 I CB 0.179 38.200 38.000 0.035 0.000 1.385 80 I HN 0.551 nan 8.210 nan 0.000 0.552 81 D N 2.225 122.663 120.400 0.064 0.000 2.510 81 D HA 0.084 4.724 4.640 -0.000 0.000 0.234 81 D C 0.285 176.645 176.300 0.099 0.000 1.178 81 D CA 0.281 54.328 54.000 0.077 0.000 0.816 81 D CB 0.640 41.486 40.800 0.078 0.000 1.143 81 D HN 0.410 nan 8.370 nan 0.000 0.526 82 S N 0.044 115.805 115.700 0.102 0.000 2.592 82 S HA 0.628 5.098 4.470 -0.000 0.000 0.243 82 S C 0.730 175.402 174.600 0.120 0.000 1.160 82 S CA -0.308 57.971 58.200 0.133 0.000 1.145 82 S CB 0.857 64.149 63.200 0.153 0.000 0.909 82 S HN 0.396 nan 8.310 nan 0.000 0.487 83 G N 1.855 110.713 108.800 0.096 0.000 2.593 83 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.237 83 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.237 83 G C 0.320 175.254 174.900 0.057 0.000 1.312 83 G CA -0.198 44.948 45.100 0.077 0.000 0.896 83 G HN 0.418 nan 8.290 nan 0.000 0.574 84 L N 0.217 121.467 121.223 0.044 0.000 2.217 84 L HA 0.106 4.445 4.340 -0.000 0.000 0.211 84 L C 1.553 178.435 176.870 0.021 0.000 1.107 84 L CA 1.032 55.888 54.840 0.026 0.000 0.783 84 L CB -0.372 41.697 42.059 0.016 0.000 0.919 84 L HN 0.315 nan 8.230 nan 0.000 0.442 85 K N 1.832 122.254 120.400 0.036 0.000 2.292 85 K HA 0.317 4.637 4.320 -0.000 0.000 0.290 85 K C -0.312 176.312 176.600 0.039 0.000 1.083 85 K CA -0.200 56.105 56.287 0.030 0.000 0.918 85 K CB 0.841 33.371 32.500 0.051 0.000 1.089 85 K HN 0.084 nan 8.250 nan 0.000 0.473 86 I N 1.918 122.496 120.570 0.013 0.000 2.533 86 I HA -0.031 4.138 4.170 -0.000 0.000 0.284 86 I C 1.348 177.486 176.117 0.035 0.000 1.109 86 I CA 0.688 62.001 61.300 0.023 0.000 1.412 86 I CB 0.490 38.494 38.000 0.007 0.000 1.396 86 I HN 0.955 nan 8.210 nan 0.000 0.543 87 G N 4.197 113.031 108.800 0.056 0.000 2.143 87 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.248 87 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.248 87 G C 0.332 175.289 174.900 0.095 0.000 0.991 87 G CA 0.045 45.184 45.100 0.064 0.000 0.689 87 G HN 0.967 nan 8.290 nan 0.000 0.522 88 A N -0.349 122.544 122.820 0.122 0.000 2.296 88 A HA 0.605 4.925 4.320 -0.000 0.000 0.264 88 A C 0.586 178.312 177.584 0.238 0.000 1.097 88 A CA -0.261 51.888 52.037 0.186 0.000 0.811 88 A CB 0.241 19.349 19.000 0.181 0.000 1.072 88 A HN 0.604 nan 8.150 nan 0.000 0.495 89 H N 0.446 119.665 119.070 0.248 0.000 2.848 89 H HA 0.102 4.658 4.556 -0.000 0.000 0.317 89 H C 0.690 176.178 175.328 0.268 0.000 1.046 89 H CA 0.683 56.900 56.048 0.281 0.000 1.470 89 H CB 0.784 30.735 29.762 0.317 0.000 1.483 89 H HN 0.661 nan 8.280 nan 0.000 0.548 90 K N 3.442 124.071 120.400 0.381 0.000 2.439 90 K HA -0.072 4.248 4.320 -0.000 0.000 0.197 90 K C 1.671 178.589 176.600 0.531 0.000 1.041 90 K CA 0.442 57.013 56.287 0.473 0.000 0.970 90 K CB 0.392 33.177 32.500 0.474 0.000 0.773 90 K HN 0.434 nan 8.250 nan 0.000 0.479 91 K N 0.895 121.478 120.400 0.305 0.000 2.459 91 K HA 0.005 4.325 4.320 -0.000 0.000 0.193 91 K C 0.211 176.892 176.600 0.135 0.000 1.030 91 K CA 0.313 56.464 56.287 -0.227 0.000 1.026 91 K CB 0.242 32.230 32.500 -0.852 0.000 0.809 91 K HN 0.036 nan 8.250 nan 0.000 0.504 92 N N 2.039 120.928 118.700 0.314 0.000 2.878 92 N HA -0.027 4.713 4.740 -0.000 0.000 0.282 92 N C -0.640 175.185 175.510 0.526 0.000 1.284 92 N CA 0.307 53.602 53.050 0.408 0.000 1.053 92 N CB 0.529 39.269 38.487 0.422 0.000 1.382 92 N HN 0.200 nan 8.380 nan 0.000 0.529 93 T N -4.359 110.469 114.554 0.457 0.000 2.887 93 T HA 0.332 4.682 4.350 -0.000 0.000 0.288 93 T C 1.404 176.340 174.700 0.394 0.000 1.021 93 T CA -0.794 61.522 62.100 0.359 0.000 1.000 93 T CB 1.622 70.621 68.868 0.219 0.000 1.034 93 T HN -0.178 nan 8.240 nan 0.000 0.467 94 V N 1.721 121.808 119.914 0.288 0.000 2.324 94 V HA -0.149 3.971 4.120 -0.000 0.000 0.250 94 V C 2.787 178.963 176.094 0.137 0.000 1.060 94 V CA 2.484 64.927 62.300 0.238 0.000 1.042 94 V CB -1.014 30.856 31.823 0.078 0.000 0.650 94 V HN 1.060 nan 8.190 nan 0.000 0.450 95 E N -0.361 119.857 120.200 0.029 0.000 2.110 95 E HA -0.222 4.127 4.350 -0.000 0.000 0.193 95 E C 1.998 178.556 176.600 -0.069 0.000 0.988 95 E CA 1.669 58.022 56.400 -0.079 0.000 0.804 95 E CB -0.311 29.266 29.700 -0.204 0.000 0.745 95 E HN 0.677 nan 8.360 nan 0.000 0.458 96 Y N 0.773 121.142 120.300 0.114 0.000 2.373 96 Y HA 0.008 4.558 4.550 -0.000 0.000 0.293 96 Y C 2.074 177.989 175.900 0.026 0.000 1.129 96 Y CA 1.094 59.243 58.100 0.082 0.000 1.226 96 Y CB -0.104 38.416 38.460 0.100 0.000 1.000 96 Y HN 0.162 nan 8.280 nan 0.000 0.549 97 Q N -0.112 119.796 119.800 0.179 0.000 2.435 97 Q HA -0.081 4.259 4.340 -0.000 0.000 0.207 97 Q C 1.472 177.526 176.000 0.091 0.000 0.956 97 Q CA 0.786 56.645 55.803 0.093 0.000 0.917 97 Q CB 0.012 28.765 28.738 0.025 0.000 0.997 97 Q HN 0.489 nan 8.270 nan 0.000 0.497 98 K N 0.288 120.745 120.400 0.094 0.000 2.352 98 K HA 0.098 4.418 4.320 -0.000 0.000 0.194 98 K C 0.384 177.014 176.600 0.050 0.000 1.038 98 K CA 0.214 56.539 56.287 0.064 0.000 1.023 98 K CB 0.587 33.117 32.500 0.050 0.000 0.840 98 K HN 0.073 nan 8.250 nan 0.000 0.519 99 N N 1.232 119.975 118.700 0.072 0.000 2.723 99 N HA 0.056 4.796 4.740 -0.000 0.000 0.290 99 N C 0.191 175.737 175.510 0.060 0.000 1.882 99 N CA 0.057 53.142 53.050 0.058 0.000 0.851 99 N CB 1.089 39.616 38.487 0.067 0.000 1.234 99 N HN 0.005 nan 8.380 nan 0.000 0.491 100 I N 1.890 122.454 120.570 -0.010 0.000 2.423 100 I HA -0.249 3.920 4.170 -0.000 0.000 0.254 100 I C 1.867 177.758 176.117 -0.376 0.000 1.151 100 I CA 1.649 62.890 61.300 -0.098 0.000 1.421 100 I CB 0.076 38.037 38.000 -0.066 0.000 1.079 100 I HN 0.264 nan 8.210 nan 0.000 0.431 101 D N -0.055 120.035 120.400 -0.517 0.000 2.311 101 D HA -0.229 4.411 4.640 -0.000 0.000 0.212 101 D C 1.554 177.632 176.300 -0.369 0.000 0.972 101 D CA 0.987 54.483 54.000 -0.840 0.000 0.887 101 D CB -0.438 40.153 40.800 -0.350 0.000 0.915 101 D HN 0.337 nan 8.370 nan 0.000 0.497 102 K N -0.536 119.800 120.400 -0.106 0.000 2.356 102 K HA 0.039 4.358 4.320 -0.000 0.000 0.195 102 K C 1.575 178.174 176.600 -0.001 0.000 1.037 102 K CA -0.201 56.109 56.287 0.039 0.000 1.014 102 K CB -0.358 32.274 32.500 0.221 0.000 0.815 102 K HN 0.161 nan 8.250 nan 0.000 0.507 103 F N 1.611 121.415 119.950 -0.245 0.000 2.365 103 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 103 F C 2.037 177.706 175.800 -0.218 0.000 1.090 103 F CA 0.385 58.146 58.000 -0.398 0.000 1.408 103 F CB -0.127 38.630 39.000 -0.405 0.000 1.060 103 F HN -0.240 nan 8.300 nan 0.000 0.534 104 V N 0.893 120.726 119.914 -0.134 0.000 2.392 104 V HA -0.328 3.792 4.120 -0.000 0.000 0.249 104 V C 2.136 178.091 176.094 -0.232 0.000 1.059 104 V CA 2.594 64.805 62.300 -0.148 0.000 1.051 104 V CB -0.511 31.241 31.823 -0.120 0.000 0.658 104 V HN 0.409 nan 8.190 nan 0.000 0.455 105 N N 0.141 118.714 118.700 -0.212 0.000 2.120 105 N HA -0.135 4.605 4.740 -0.000 0.000 0.188 105 N C 1.799 177.156 175.510 -0.255 0.000 1.024 105 N CA 1.873 54.815 53.050 -0.181 0.000 0.852 105 N CB -0.435 37.994 38.487 -0.097 0.000 1.003 105 N HN 0.486 nan 8.380 nan 0.000 0.424 106 V N 2.148 121.792 119.914 -0.450 0.000 2.343 106 V HA -0.192 3.927 4.120 -0.000 0.000 0.247 106 V C 2.365 178.164 176.094 -0.493 0.000 1.051 106 V CA 1.277 63.255 62.300 -0.537 0.000 1.036 106 V CB -0.442 30.796 31.823 -0.974 0.000 0.654 106 V HN 0.206 nan 8.190 nan 0.000 0.451 107 I N -0.660 119.559 120.570 -0.584 0.000 2.163 107 I HA -0.223 3.947 4.170 -0.000 0.000 0.240 107 I C 2.730 178.692 176.117 -0.259 0.000 1.081 107 I CA 1.276 62.298 61.300 -0.463 0.000 1.353 107 I CB -0.483 37.360 38.000 -0.261 0.000 1.054 107 I HN 0.259 nan 8.210 nan 0.000 0.407 108 Q N 0.711 120.429 119.800 -0.137 0.000 2.181 108 Q HA -0.145 4.194 4.340 -0.000 0.000 0.205 108 Q C 2.220 178.178 176.000 -0.069 0.000 0.980 108 Q CA 1.693 57.462 55.803 -0.057 0.000 0.862 108 Q CB -0.731 27.964 28.738 -0.072 0.000 0.905 108 Q HN 0.608 nan 8.270 nan 0.000 0.429 109 G N 0.727 109.466 108.800 -0.102 0.000 2.598 109 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.215 109 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.215 109 G C 0.949 175.829 174.900 -0.032 0.000 1.131 109 G CA 0.666 45.729 45.100 -0.061 0.000 0.785 109 G HN 0.512 nan 8.290 nan 0.000 0.539 110 Q N -0.731 119.041 119.800 -0.047 0.000 2.135 110 Q HA 0.493 4.833 4.340 -0.000 0.000 0.231 110 Q C 0.065 176.083 176.000 0.029 0.000 0.817 110 Q CA -0.307 55.502 55.803 0.010 0.000 1.073 110 Q CB 0.164 28.930 28.738 0.047 0.000 1.176 110 Q HN 0.273 nan 8.270 nan 0.000 0.478 114 V N 1.472 121.446 119.914 0.100 0.000 2.323 114 V HA 0.128 4.248 4.120 -0.000 0.000 0.244 114 V C 1.054 177.170 176.094 0.036 0.000 1.041 114 V CA 1.612 63.967 62.300 0.091 0.000 1.025 114 V CB 0.351 32.265 31.823 0.153 0.000 0.656 114 V HN 0.791 nan 8.190 nan 0.000 0.451 115 S N -0.514 115.231 115.700 0.075 0.000 2.776 115 S HA 0.539 5.009 4.470 -0.000 0.000 0.284 115 S C -1.095 173.521 174.600 0.026 0.000 1.160 115 S CA -0.441 57.765 58.200 0.010 0.000 1.051 115 S CB 1.487 64.659 63.200 -0.047 0.000 1.037 115 S HN 0.002 nan 8.310 nan 0.000 0.485 116 V N 7.905 127.820 119.914 0.001 0.000 2.357 116 V HA 0.537 4.657 4.120 -0.000 0.000 0.284 116 V C -2.024 174.062 176.094 -0.014 0.000 1.018 116 V CA -1.830 60.470 62.300 -0.001 0.000 0.841 116 V CB 1.482 33.306 31.823 0.001 0.000 0.991 116 V HN 0.691 nan 8.190 nan 0.000 0.437 117 P HA 0.174 nan 4.420 nan 0.000 0.274 117 P C -0.209 177.074 177.300 -0.029 0.000 1.237 117 P CA -0.153 62.934 63.100 -0.021 0.000 0.793 117 P CB 0.903 32.590 31.700 -0.022 0.000 0.977 118 V N 2.465 122.364 119.914 -0.026 0.000 2.557 118 V HA -0.065 4.055 4.120 -0.000 0.000 0.301 118 V C 1.305 177.357 176.094 -0.070 0.000 1.026 118 V CA 0.232 62.514 62.300 -0.031 0.000 1.137 118 V CB -1.023 30.801 31.823 0.001 0.000 0.917 118 V HN 0.618 nan 8.190 nan 0.000 0.484 119 N N 4.094 122.752 118.700 -0.069 0.000 2.470 119 N HA 0.082 4.821 4.740 -0.000 0.000 0.268 119 N C 0.675 176.068 175.510 -0.195 0.000 1.136 119 N CA 0.443 53.436 53.050 -0.095 0.000 0.961 119 N CB 1.485 39.944 38.487 -0.046 0.000 1.067 119 N HN 0.874 nan 8.380 nan 0.000 0.468 120 T N 0.662 114.973 114.554 -0.405 0.000 3.200 120 T HA 0.199 4.549 4.350 -0.000 0.000 0.284 120 T C 0.474 174.780 174.700 -0.656 0.000 1.009 120 T CA -0.556 60.899 62.100 -1.075 0.000 0.907 120 T CB 0.048 68.282 68.868 -1.056 0.000 1.120 120 T HN 0.134 nan 8.240 nan 0.000 0.534 121 L N 2.650 123.746 121.223 -0.211 0.000 2.490 121 L HA 0.280 4.619 4.340 -0.000 0.000 0.274 121 L C 0.268 177.218 176.870 0.132 0.000 1.201 121 L CA -0.461 54.352 54.840 -0.044 0.000 0.869 121 L CB 0.386 42.440 42.059 -0.008 0.000 1.123 121 L HN 0.170 nan 8.230 nan 0.000 0.484 122 V N 4.628 124.627 119.914 0.141 0.000 2.383 122 V HA 0.299 4.418 4.120 -0.000 0.000 0.275 122 V C 0.135 176.301 176.094 0.120 0.000 1.036 122 V CA -0.709 61.718 62.300 0.211 0.000 0.889 122 V CB 1.498 33.432 31.823 0.185 0.000 0.985 122 V HN 0.430 nan 8.190 nan 0.000 0.459 123 V N 5.200 125.180 119.914 0.110 0.000 2.328 123 V HA 0.369 4.488 4.120 -0.000 0.000 0.278 123 V C 0.182 176.302 176.094 0.043 0.000 1.021 123 V CA -0.419 61.921 62.300 0.066 0.000 0.838 123 V CB 1.346 33.207 31.823 0.063 0.000 0.999 123 V HN 1.057 nan 8.190 nan 0.000 0.447 124 D N 1.825 122.244 120.400 0.033 0.000 2.501 124 D HA 0.014 4.654 4.640 -0.000 0.000 0.224 124 D C 1.170 177.476 176.300 0.012 0.000 1.202 124 D CA 0.210 54.219 54.000 0.016 0.000 0.829 124 D CB 0.336 41.145 40.800 0.015 0.000 1.023 124 D HN 0.568 nan 8.370 nan 0.000 0.499 125 T N -1.630 112.934 114.554 0.017 0.000 3.214 125 T HA 0.339 4.689 4.350 -0.000 0.000 0.264 125 T C 0.671 175.381 174.700 0.016 0.000 1.012 125 T CA -0.525 61.584 62.100 0.014 0.000 0.901 125 T CB -0.199 68.678 68.868 0.016 0.000 1.070 125 T HN 0.000 nan 8.240 nan 0.000 0.561 126 L N 1.906 123.139 121.223 0.016 0.000 2.467 126 L HA 0.307 4.647 4.340 -0.000 0.000 0.270 126 L C 1.101 177.980 176.870 0.014 0.000 1.205 126 L CA -0.533 54.319 54.840 0.021 0.000 0.828 126 L CB 0.504 42.577 42.059 0.023 0.000 1.101 126 L HN 0.214 nan 8.230 nan 0.000 0.479 127 S N 2.211 117.923 115.700 0.020 0.000 2.552 127 S HA 0.057 4.527 4.470 -0.000 0.000 0.289 127 S C -1.423 173.183 174.600 0.010 0.000 1.304 127 S CA -1.020 57.190 58.200 0.016 0.000 1.063 127 S CB 0.707 63.921 63.200 0.023 0.000 0.848 127 S HN 0.390 nan 8.310 nan 0.000 0.499 128 P HA -0.079 nan 4.420 nan 0.000 0.218 128 P C 1.419 178.718 177.300 -0.001 0.000 1.146 128 P CA 1.026 64.121 63.100 -0.008 0.000 0.813 128 P CB 0.020 31.715 31.700 -0.008 0.000 0.778 129 T N -1.878 112.684 114.554 0.014 0.000 3.023 129 T HA 0.050 4.400 4.350 -0.000 0.000 0.266 129 T C 0.899 175.631 174.700 0.052 0.000 1.093 129 T CA 0.377 62.494 62.100 0.027 0.000 1.129 129 T CB -0.468 68.416 68.868 0.028 0.000 0.899 129 T HN 0.028 nan 8.240 nan 0.000 0.491 130 S N 0.566 116.300 115.700 0.057 0.000 2.603 130 S HA 0.290 4.760 4.470 -0.000 0.000 0.268 130 S C -0.708 173.969 174.600 0.129 0.000 1.317 130 S CA -0.792 57.469 58.200 0.103 0.000 1.012 130 S CB 0.422 63.678 63.200 0.092 0.000 0.926 130 S HN 0.573 nan 8.310 nan 0.000 0.539 131 W N 2.030 123.337 121.300 0.011 0.000 2.266 131 W HA 0.344 5.004 4.660 -0.000 0.000 0.317 131 W C -0.380 176.150 176.519 0.018 0.000 1.310 131 W CA -0.105 57.245 57.345 0.009 0.000 1.207 131 W CB 0.261 29.726 29.460 0.008 0.000 1.199 131 W HN 0.512 nan 8.180 nan 0.000 0.544 132 Q N 4.544 123.991 119.800 -0.588 0.000 2.331 132 Q HA 0.611 4.950 4.340 -0.000 0.000 0.272 132 Q C -0.508 174.889 176.000 -1.004 0.000 1.062 132 Q CA -0.920 54.579 55.803 -0.506 0.000 0.806 132 Q CB 2.081 30.666 28.738 -0.255 0.000 1.312 132 Q HN 0.567 nan 8.270 nan 0.000 0.431 133 A N 0.932 123.334 122.820 -0.696 0.000 2.322 133 A HA 0.408 4.728 4.320 -0.000 0.000 0.269 133 A C 0.736 178.143 177.584 -0.296 0.000 1.094 133 A CA -0.068 51.675 52.037 -0.489 0.000 0.807 133 A CB 0.431 19.497 19.000 0.110 0.000 1.047 133 A HN 0.861 nan 8.150 nan 0.000 0.487 134 S N -0.229 115.326 115.700 -0.241 0.000 2.575 134 S HA 0.219 4.689 4.470 -0.000 0.000 0.215 134 S C 0.588 175.079 174.600 -0.182 0.000 0.966 134 S CA 0.562 58.638 58.200 -0.207 0.000 0.911 134 S CB -0.696 62.403 63.200 -0.168 0.000 0.780 134 S HN 1.346 nan 8.310 nan 0.000 0.514 135 T N -1.753 112.729 114.554 -0.120 0.000 2.887 135 T HA 0.664 5.014 4.350 -0.000 0.000 0.292 135 T C -0.721 173.919 174.700 -0.101 0.000 1.087 135 T CA -0.933 61.108 62.100 -0.098 0.000 1.009 135 T CB 0.593 69.498 68.868 0.062 0.000 1.203 135 T HN 0.057 nan 8.240 nan 0.000 0.518 136 F N 2.848 122.869 119.950 0.119 0.000 2.661 136 F HA 0.337 4.863 4.527 -0.000 0.000 0.356 136 F C 0.518 176.356 175.800 0.063 0.000 1.244 136 F CA -1.293 56.737 58.000 0.050 0.000 1.290 136 F CB -0.750 38.255 39.000 0.008 0.000 1.677 136 F HN 0.541 nan 8.300 nan 0.000 0.649 137 F N -0.783 119.259 119.950 0.154 0.000 2.403 137 F HA 0.541 5.068 4.527 -0.000 0.000 0.320 137 F C -0.072 175.802 175.800 0.125 0.000 1.176 137 F CA -1.505 56.570 58.000 0.124 0.000 1.206 137 F CB -0.008 39.054 39.000 0.103 0.000 1.235 137 F HN -0.190 nan 8.300 nan 0.000 0.565 138 V N 3.852 123.894 119.914 0.213 0.000 2.450 138 V HA 0.233 4.353 4.120 -0.000 0.000 0.281 138 V C 0.277 176.378 176.094 0.013 0.000 1.019 138 V CA -0.145 62.202 62.300 0.077 0.000 1.062 138 V CB -0.851 31.049 31.823 0.128 0.000 0.979 138 V HN 0.917 nan 8.190 nan 0.000 0.477 139 R N 3.399 123.814 120.500 -0.140 0.000 2.781 139 R HA 0.492 4.831 4.340 -0.000 0.000 0.269 139 R C -0.227 176.037 176.300 -0.058 0.000 1.025 139 R CA -0.984 55.045 56.100 -0.118 0.000 0.914 139 R CB 0.791 30.876 30.300 -0.358 0.000 1.236 139 R HN 0.416 nan 8.270 nan 0.000 0.465 140 N N -0.505 118.184 118.700 -0.018 0.000 2.708 140 N HA -0.214 4.525 4.740 -0.000 0.000 0.249 140 N C 0.759 176.266 175.510 -0.004 0.000 1.097 140 N CA 1.915 54.959 53.050 -0.009 0.000 0.710 140 N CB -1.200 37.275 38.487 -0.019 0.000 1.032 140 N HN 1.134 nan 8.380 nan 0.000 0.551 141 G N -2.502 106.300 108.800 0.004 0.000 2.175 141 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.244 141 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.244 141 G C 0.195 175.098 174.900 0.005 0.000 0.982 141 G CA 0.334 45.439 45.100 0.009 0.000 0.641 141 G HN 0.532 nan 8.290 nan 0.000 0.527 142 S N 0.211 115.908 115.700 -0.005 0.000 2.563 142 S HA 0.320 4.790 4.470 -0.000 0.000 0.284 142 S C 0.451 175.049 174.600 -0.004 0.000 1.331 142 S CA 0.270 58.464 58.200 -0.010 0.000 1.047 142 S CB 0.884 64.071 63.200 -0.021 0.000 0.859 142 S HN 0.599 nan 8.310 nan 0.000 0.514 143 N N 2.733 121.423 118.700 -0.016 0.000 2.501 143 N HA 0.320 5.059 4.740 -0.000 0.000 0.245 143 N C -1.845 173.655 175.510 -0.017 0.000 0.974 143 N CA -2.354 50.678 53.050 -0.029 0.000 0.941 143 N CB 1.270 39.711 38.487 -0.076 0.000 1.122 143 N HN 0.168 nan 8.380 nan 0.000 0.507 144 P HA -0.012 nan 4.420 nan 0.000 0.233 144 P C 0.410 177.737 177.300 0.045 0.000 1.167 144 P CA 0.747 63.868 63.100 0.034 0.000 0.770 144 P CB 0.566 32.301 31.700 0.059 0.000 0.837 145 E N -0.125 120.093 120.200 0.030 0.000 2.268 145 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 145 E C 0.871 177.492 176.600 0.035 0.000 0.995 145 E CA 0.662 57.104 56.400 0.070 0.000 0.836 145 E CB -0.188 29.505 29.700 -0.012 0.000 0.763 145 E HN 0.292 nan 8.360 nan 0.000 0.491 146 Q N 2.237 122.018 119.800 -0.033 0.000 2.307 146 Q HA 0.016 4.356 4.340 -0.000 0.000 0.259 146 Q C -0.886 175.125 176.000 0.019 0.000 0.998 146 Q CA -0.108 55.675 55.803 -0.033 0.000 0.923 146 Q CB 0.654 29.357 28.738 -0.057 0.000 1.196 146 Q HN -0.172 nan 8.270 nan 0.000 0.416 147 D N 6.089 126.519 120.400 0.050 0.000 2.358 147 D HA 0.063 4.703 4.640 -0.000 0.000 0.258 147 D C -1.708 174.609 176.300 0.029 0.000 1.223 147 D CA -1.927 52.101 54.000 0.046 0.000 0.886 147 D CB 1.221 42.062 40.800 0.067 0.000 1.120 147 D HN 0.417 nan 8.370 nan 0.000 0.482 148 P HA -0.073 nan 4.420 nan 0.000 0.228 148 P C 1.153 178.455 177.300 0.003 0.000 1.151 148 P CA 0.639 63.738 63.100 -0.001 0.000 0.770 148 P CB 0.365 32.051 31.700 -0.022 0.000 0.786 149 L N -1.418 119.810 121.223 0.009 0.000 2.640 149 L HA 0.218 4.558 4.340 -0.000 0.000 0.230 149 L C 1.689 178.569 176.870 0.017 0.000 1.123 149 L CA 0.158 55.002 54.840 0.008 0.000 0.900 149 L CB 0.089 42.148 42.059 0.002 0.000 1.146 149 L HN -0.196 nan 8.230 nan 0.000 0.484 150 R N -0.122 120.397 120.500 0.032 0.000 2.727 150 R HA 0.202 4.541 4.340 -0.000 0.000 0.410 150 R C -0.324 176.025 176.300 0.082 0.000 1.101 150 R CA -0.240 55.890 56.100 0.049 0.000 1.045 150 R CB 0.357 30.691 30.300 0.056 0.000 1.380 150 R HN 0.064 nan 8.270 nan 0.000 0.587 151 N N 0.468 119.195 118.700 0.046 0.000 2.459 151 N HA 0.337 5.077 4.740 -0.000 0.000 0.288 151 N C -0.611 174.819 175.510 -0.133 0.000 1.186 151 N CA -0.548 52.514 53.050 0.020 0.000 0.917 151 N CB 1.178 39.677 38.487 0.021 0.000 1.219 151 N HN 0.059 nan 8.380 nan 0.000 0.525 152 L N 2.095 123.099 121.223 -0.364 0.000 2.589 152 L HA 0.187 4.527 4.340 -0.000 0.000 0.244 152 L C 1.575 178.268 176.870 -0.295 0.000 1.159 152 L CA -0.258 54.239 54.840 -0.570 0.000 1.074 152 L CB 0.245 41.560 42.059 -1.240 0.000 1.391 152 L HN 0.648 nan 8.230 nan 0.000 0.423 153 S N 0.123 115.742 115.700 -0.134 0.000 2.374 153 S HA -0.180 4.290 4.470 -0.000 0.000 0.227 153 S C 1.845 176.415 174.600 -0.048 0.000 1.037 153 S CA 1.435 59.603 58.200 -0.053 0.000 1.024 153 S CB -0.384 62.800 63.200 -0.026 0.000 0.861 153 S HN 0.620 nan 8.310 nan 0.000 0.456 154 G N 0.820 109.576 108.800 -0.073 0.000 2.744 154 G HA2 0.069 4.028 3.960 -0.000 0.000 0.211 154 G HA3 0.069 4.028 3.960 -0.000 0.000 0.211 154 G C 0.602 175.462 174.900 -0.066 0.000 1.143 154 G CA -0.214 44.854 45.100 -0.052 0.000 0.788 154 G HN 0.415 nan 8.290 nan 0.000 0.534 155 Q N 0.487 120.218 119.800 -0.114 0.000 2.330 155 Q HA 0.498 4.838 4.340 -0.000 0.000 0.279 155 Q C -0.066 175.950 176.000 0.027 0.000 1.024 155 Q CA 0.362 56.117 55.803 -0.079 0.000 0.900 155 Q CB 1.360 29.998 28.738 -0.166 0.000 1.221 155 Q HN 0.298 nan 8.270 nan 0.000 0.396 156 A N 1.864 124.712 122.820 0.047 0.000 2.610 156 A HA 0.731 5.051 4.320 -0.000 0.000 0.291 156 A C -1.158 176.488 177.584 0.104 0.000 1.086 156 A CA -0.457 51.626 52.037 0.076 0.000 0.677 156 A CB 1.278 20.311 19.000 0.055 0.000 1.278 156 A HN 0.495 nan 8.150 nan 0.000 0.414 157 V N -2.219 117.776 119.914 0.135 0.000 2.962 157 V HA 0.933 5.052 4.120 -0.000 0.000 0.313 157 V C -0.502 175.690 176.094 0.164 0.000 1.099 157 V CA -0.535 61.868 62.300 0.173 0.000 0.971 157 V CB 1.565 33.549 31.823 0.269 0.000 1.028 157 V HN 0.921 nan 8.190 nan 0.000 0.430 158 T N 2.829 117.479 114.554 0.159 0.000 2.779 158 T HA 0.569 4.918 4.350 -0.000 0.000 0.280 158 T C -0.173 174.583 174.700 0.094 0.000 0.987 158 T CA -0.464 61.720 62.100 0.139 0.000 0.966 158 T CB 1.094 70.064 68.868 0.171 0.000 0.933 158 T HN 0.752 nan 8.240 nan 0.000 0.442 159 R N 2.635 123.180 120.500 0.076 0.000 2.664 159 R HA 0.536 4.876 4.340 -0.000 0.000 0.281 159 R C -0.614 175.710 176.300 0.040 0.000 1.383 159 R CA -0.488 55.630 56.100 0.029 0.000 1.563 159 R CB 0.516 30.814 30.300 -0.002 0.000 1.131 159 R HN 0.517 nan 8.270 nan 0.000 0.599 160 V N -2.259 117.679 119.914 0.040 0.000 3.087 160 V HA 0.458 4.577 4.120 -0.000 0.000 0.306 160 V C 0.029 176.144 176.094 0.035 0.000 1.187 160 V CA -1.140 61.187 62.300 0.045 0.000 0.999 160 V CB 2.053 33.913 31.823 0.061 0.000 1.049 160 V HN 0.046 nan 8.190 nan 0.000 0.431 161 V N 3.447 123.385 119.914 0.039 0.000 2.493 161 V HA 0.505 4.625 4.120 -0.000 0.000 0.292 161 V C 1.668 177.784 176.094 0.036 0.000 1.016 161 V CA 1.961 64.285 62.300 0.039 0.000 1.097 161 V CB -0.046 31.804 31.823 0.044 0.000 0.947 161 V HN 1.996 nan 8.190 nan 0.000 0.479 162 G N 3.411 112.226 108.800 0.025 0.000 2.213 162 G HA2 0.075 4.035 3.960 -0.000 0.000 0.226 162 G HA3 0.075 4.035 3.960 -0.000 0.000 0.226 162 G C 0.881 175.760 174.900 -0.035 0.000 0.992 162 G CA 0.034 45.139 45.100 0.007 0.000 0.632 162 G HN 2.229 nan 8.290 nan 0.000 0.511 166 T N 0.116 114.552 114.554 -0.198 0.000 3.088 166 T HA 0.148 4.498 4.350 -0.000 0.000 0.259 166 T C 1.331 175.883 174.700 -0.246 0.000 1.122 166 T CA 1.084 63.098 62.100 -0.144 0.000 1.095 166 T CB -0.755 68.118 68.868 0.008 0.000 0.930 166 T HN 0.852 nan 8.240 nan 0.000 0.508 167 H N -1.733 117.270 119.070 -0.111 0.000 3.535 167 H HA 0.197 4.753 4.556 -0.000 0.000 0.260 167 H C 0.521 176.036 175.328 0.311 0.000 1.173 167 H CA -1.005 55.107 56.048 0.107 0.000 1.168 167 H CB -0.382 29.448 29.762 0.114 0.000 1.568 167 H HN 0.483 nan 8.280 nan 0.000 0.602 168 W N 3.056 124.281 121.300 -0.124 0.000 2.123 168 W HA 0.234 4.894 4.660 -0.000 0.000 0.351 168 W C 0.167 176.792 176.519 0.177 0.000 1.292 168 W CA -0.018 57.374 57.345 0.078 0.000 1.263 168 W CB -0.074 29.367 29.460 -0.032 0.000 1.165 168 W HN -0.178 nan 8.180 nan 0.000 0.590 169 T N 1.593 116.116 114.554 -0.051 0.000 2.915 169 T HA -0.106 4.243 4.350 -0.000 0.000 0.269 169 T C 1.112 175.368 174.700 -0.740 0.000 1.071 169 T CA 1.845 63.742 62.100 -0.337 0.000 1.132 169 T CB -0.501 68.330 68.868 -0.061 0.000 0.878 169 T HN 0.700 nan 8.240 nan 0.000 0.479 170 C N 0.645 119.156 119.300 -1.315 0.000 4.657 170 C HA -0.062 4.398 4.460 -0.000 0.000 0.259 170 C C 0.986 175.470 174.990 -0.845 0.000 1.235 170 C CA -0.960 56.963 59.018 -1.824 0.000 1.733 170 C CB -2.729 24.421 27.740 -0.983 0.000 1.495 170 C HN 0.789 nan 8.230 nan 0.000 0.704 171 A N 1.073 123.603 122.820 -0.484 0.000 2.404 171 A HA 0.584 4.904 4.320 -0.000 0.000 0.273 171 A C 0.785 178.277 177.584 -0.154 0.000 1.144 171 A CA 1.118 53.030 52.037 -0.208 0.000 0.806 171 A CB 0.196 19.146 19.000 -0.084 0.000 1.080 171 A HN 1.454 nan 8.150 nan 0.000 0.509 172 T N 1.442 115.930 114.554 -0.111 0.000 3.504 172 T HA 0.511 4.860 4.350 -0.000 0.000 0.286 172 T C -2.685 171.976 174.700 -0.065 0.000 1.530 172 T CA -1.323 60.751 62.100 -0.043 0.000 1.652 172 T CB 0.606 69.479 68.868 0.008 0.000 0.895 172 T HN 0.465 nan 8.240 nan 0.000 0.674 173 P HA 0.444 nan 4.420 nan 0.000 0.279 173 P C -0.336 176.838 177.300 -0.210 0.000 1.252 173 P CA -0.705 62.317 63.100 -0.130 0.000 0.811 173 P CB 1.285 32.918 31.700 -0.112 0.000 1.035 174 R N 0.619 120.921 120.500 -0.329 0.000 2.531 174 R HA 0.423 4.763 4.340 -0.000 0.000 0.273 174 R C -0.038 176.162 176.300 -0.167 0.000 1.070 174 R CA -0.469 55.252 56.100 -0.632 0.000 1.112 174 R CB 0.229 30.003 30.300 -0.876 0.000 1.049 174 R HN 0.380 nan 8.270 nan 0.000 0.508 175 F N 2.094 121.827 119.950 -0.362 0.000 2.410 175 F HA 0.063 4.590 4.527 -0.000 0.000 0.348 175 F C 0.916 176.530 175.800 -0.311 0.000 1.106 175 F CA -1.673 56.128 58.000 -0.332 0.000 1.163 175 F CB 0.331 39.120 39.000 -0.353 0.000 1.129 175 F HN 0.541 nan 8.300 nan 0.000 0.516 176 D N 2.493 122.827 120.400 -0.111 0.000 2.384 176 D HA 0.095 4.735 4.640 -0.000 0.000 0.244 176 D C 1.129 177.348 176.300 -0.134 0.000 1.251 176 D CA -0.403 53.531 54.000 -0.110 0.000 0.961 176 D CB 0.542 41.295 40.800 -0.078 0.000 1.116 176 D HN 0.471 nan 8.370 nan 0.000 0.484 177 R N -0.386 120.063 120.500 -0.086 0.000 2.113 177 R HA -0.254 4.086 4.340 -0.000 0.000 0.244 177 R C 2.021 178.278 176.300 -0.072 0.000 1.142 177 R CA 2.215 58.276 56.100 -0.065 0.000 0.953 177 R CB -0.381 29.914 30.300 -0.009 0.000 0.860 177 R HN 0.720 nan 8.270 nan 0.000 0.438 178 E N 0.805 120.958 120.200 -0.077 0.000 2.150 178 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 178 E C 1.664 178.176 176.600 -0.146 0.000 0.985 178 E CA 1.332 57.696 56.400 -0.060 0.000 0.814 178 E CB 0.154 29.866 29.700 0.020 0.000 0.752 178 E HN 0.396 nan 8.360 nan 0.000 0.466 179 Q N -0.150 119.462 119.800 -0.315 0.000 2.398 179 Q HA 0.052 4.392 4.340 -0.000 0.000 0.204 179 Q C 0.158 176.049 176.000 -0.182 0.000 0.932 179 Q CA 0.344 55.897 55.803 -0.418 0.000 0.916 179 Q CB 0.318 28.511 28.738 -0.908 0.000 1.024 179 Q HN 0.205 nan 8.270 nan 0.000 0.504 180 R N 1.155 121.590 120.500 -0.109 0.000 2.668 180 R HA 0.490 4.829 4.340 -0.000 0.000 0.279 180 R C -2.704 173.587 176.300 -0.015 0.000 0.976 180 R CA -2.138 53.918 56.100 -0.073 0.000 0.978 180 R CB 0.012 30.061 30.300 -0.419 0.000 1.133 180 R HN -0.256 nan 8.270 nan 0.000 0.484 181 P HA 0.024 nan 4.420 nan 0.000 0.275 181 P C -0.695 176.781 177.300 0.294 0.000 1.228 181 P CA -0.516 62.676 63.100 0.153 0.000 0.786 181 P CB 0.543 32.331 31.700 0.148 0.000 0.927 182 L N 2.948 124.316 121.223 0.241 0.000 2.367 182 L HA 0.121 4.461 4.340 -0.000 0.000 0.275 182 L C 1.504 178.547 176.870 0.287 0.000 1.129 182 L CA 0.220 55.267 54.840 0.345 0.000 0.839 182 L CB -0.221 42.084 42.059 0.409 0.000 1.133 182 L HN 0.416 nan 8.230 nan 0.000 0.453 183 L N 3.890 125.291 121.223 0.296 0.000 2.556 183 L HA 0.213 4.553 4.340 -0.000 0.000 0.226 183 L C -0.209 176.823 176.870 0.271 0.000 1.089 183 L CA 0.181 55.082 54.840 0.101 0.000 0.864 183 L CB 0.426 42.331 42.059 -0.257 0.000 1.067 183 L HN 0.308 nan 8.230 nan 0.000 0.477 184 V N -0.156 119.940 119.914 0.303 0.000 2.623 184 V HA 0.261 4.381 4.120 -0.000 0.000 0.304 184 V C -0.298 175.879 176.094 0.137 0.000 1.054 184 V CA -1.119 61.294 62.300 0.188 0.000 0.882 184 V CB 2.031 33.909 31.823 0.092 0.000 1.002 184 V HN 0.031 nan 8.190 nan 0.000 0.424 185 K N 2.493 122.846 120.400 -0.078 0.000 2.270 185 K HA 0.260 4.579 4.320 -0.000 0.000 0.276 185 K C -0.028 176.535 176.600 -0.062 0.000 1.023 185 K CA -0.099 56.093 56.287 -0.158 0.000 0.955 185 K CB 0.331 32.577 32.500 -0.423 0.000 0.975 185 K HN 0.838 nan 8.250 nan 0.000 0.471 186 D N 1.968 122.354 120.400 -0.023 0.000 2.751 186 D HA -0.201 4.439 4.640 -0.000 0.000 0.233 186 D C -0.638 175.667 176.300 0.007 0.000 1.149 186 D CA 1.198 55.194 54.000 -0.008 0.000 0.682 186 D CB -0.708 40.075 40.800 -0.028 0.000 1.068 186 D HN 0.576 nan 8.370 nan 0.000 0.429 187 D N -1.436 118.980 120.400 0.028 0.000 3.036 187 D HA 0.353 4.993 4.640 -0.000 0.000 0.244 187 D C 0.994 177.329 176.300 0.058 0.000 1.337 187 D CA 0.224 54.245 54.000 0.034 0.000 0.829 187 D CB 0.150 40.965 40.800 0.025 0.000 1.478 187 D HN 0.029 nan 8.370 nan 0.000 0.570 188 A N 1.203 124.060 122.820 0.061 0.000 2.024 188 A HA -0.168 4.151 4.320 -0.000 0.000 0.220 188 A C 1.632 179.264 177.584 0.080 0.000 1.164 188 A CA 1.373 53.457 52.037 0.078 0.000 0.643 188 A CB 0.056 19.094 19.000 0.064 0.000 0.806 188 A HN 0.370 nan 8.150 nan 0.000 0.451 189 D N -0.091 120.346 120.400 0.062 0.000 2.162 189 D HA 0.051 4.690 4.640 -0.000 0.000 0.203 189 D C 2.184 178.522 176.300 0.063 0.000 0.967 189 D CA 1.283 55.319 54.000 0.059 0.000 0.840 189 D CB -0.342 40.484 40.800 0.043 0.000 0.972 189 D HN 0.439 nan 8.370 nan 0.000 0.482 190 A N 1.003 123.857 122.820 0.057 0.000 1.929 190 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 190 A C 1.935 179.560 177.584 0.069 0.000 1.176 190 A CA 1.751 53.818 52.037 0.050 0.000 0.628 190 A CB -0.441 18.580 19.000 0.035 0.000 0.816 190 A HN 0.135 nan 8.150 nan 0.000 0.444 191 D N -0.180 120.283 120.400 0.106 0.000 2.117 191 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 191 D C 1.249 177.698 176.300 0.248 0.000 0.982 191 D CA 1.514 55.617 54.000 0.172 0.000 0.828 191 D CB -0.135 40.799 40.800 0.223 0.000 0.967 191 D HN 0.328 nan 8.370 nan 0.000 0.464 192 D N -0.245 120.276 120.400 0.201 0.000 2.104 192 D HA -0.126 4.514 4.640 -0.000 0.000 0.194 192 D C 1.987 178.397 176.300 0.184 0.000 0.994 192 D CA 1.624 55.746 54.000 0.204 0.000 0.830 192 D CB -0.574 40.303 40.800 0.128 0.000 0.959 192 D HN 0.324 nan 8.370 nan 0.000 0.452 193 A N 0.458 123.347 122.820 0.114 0.000 1.930 193 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 193 A C 2.120 179.734 177.584 0.050 0.000 1.175 193 A CA 1.857 53.940 52.037 0.076 0.000 0.627 193 A CB -0.530 18.497 19.000 0.045 0.000 0.815 193 A HN 0.186 nan 8.150 nan 0.000 0.443 194 E N -0.872 119.337 120.200 0.016 0.000 2.077 194 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 194 E C 1.661 178.181 176.600 -0.134 0.000 0.989 194 E CA 1.522 57.863 56.400 -0.099 0.000 0.800 194 E CB -0.438 29.154 29.700 -0.178 0.000 0.746 194 E HN 0.735 nan 8.360 nan 0.000 0.452 195 W N 0.469 121.746 121.300 -0.039 0.000 2.402 195 W HA -0.061 4.599 4.660 -0.000 0.000 0.286 195 W C 2.027 178.558 176.519 0.020 0.000 1.221 195 W CA 1.127 58.422 57.345 -0.083 0.000 1.257 195 W CB -0.172 29.282 29.460 -0.010 0.000 1.120 195 W HN 0.241 nan 8.180 nan 0.000 0.551 196 D N -0.127 120.449 120.400 0.294 0.000 2.144 196 D HA -0.187 4.453 4.640 -0.000 0.000 0.200 196 D C 2.176 178.556 176.300 0.134 0.000 0.978 196 D CA 1.201 55.341 54.000 0.233 0.000 0.833 196 D CB -0.106 40.784 40.800 0.150 0.000 0.961 196 D HN -0.060 nan 8.370 nan 0.000 0.470 197 R N -0.349 120.182 120.500 0.052 0.000 2.092 197 R HA -0.056 4.284 4.340 -0.000 0.000 0.231 197 R C 2.177 178.444 176.300 -0.056 0.000 1.119 197 R CA 0.966 57.059 56.100 -0.012 0.000 0.970 197 R CB -0.152 30.121 30.300 -0.045 0.000 0.864 197 R HN 0.266 nan 8.270 nan 0.000 0.440 198 L N -0.828 120.334 121.223 -0.101 0.000 2.095 198 L HA -0.097 4.243 4.340 -0.000 0.000 0.204 198 L C 2.202 179.011 176.870 -0.100 0.000 1.080 198 L CA 0.785 55.514 54.840 -0.186 0.000 0.759 198 L CB -0.586 41.264 42.059 -0.348 0.000 0.914 198 L HN 0.124 nan 8.230 nan 0.000 0.439 199 Y N 0.748 121.054 120.300 0.010 0.000 2.151 199 Y HA -0.284 4.266 4.550 -0.000 0.000 0.284 199 Y C 2.883 178.762 175.900 -0.035 0.000 1.166 199 Y CA 1.714 59.823 58.100 0.015 0.000 1.163 199 Y CB -1.176 37.320 38.460 0.060 0.000 0.974 199 Y HN 0.148 nan 8.280 nan 0.000 0.511 200 T N -0.529 114.100 114.554 0.125 0.000 2.746 200 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 200 T C 1.952 176.623 174.700 -0.048 0.000 1.039 200 T CA 1.812 63.935 62.100 0.038 0.000 1.142 200 T CB -0.203 68.681 68.868 0.026 0.000 0.866 200 T HN 0.092 nan 8.240 nan 0.000 0.444 201 K N 1.519 121.838 120.400 -0.136 0.000 2.025 201 K HA 0.097 4.417 4.320 -0.000 0.000 0.207 201 K C 2.339 178.631 176.600 -0.513 0.000 1.049 201 K CA 1.313 57.401 56.287 -0.331 0.000 0.933 201 K CB -0.672 31.599 32.500 -0.382 0.000 0.714 201 K HN 0.233 nan 8.250 nan 0.000 0.438 202 A N 0.864 123.481 122.820 -0.339 0.000 1.883 202 A HA -0.227 4.092 4.320 -0.000 0.000 0.217 202 A C 2.008 179.601 177.584 0.014 0.000 1.186 202 A CA 2.036 53.943 52.037 -0.217 0.000 0.624 202 A CB -0.702 18.268 19.000 -0.050 0.000 0.822 202 A HN 0.522 nan 8.150 nan 0.000 0.444 203 E N -0.599 119.650 120.200 0.081 0.000 2.118 203 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 203 E C 2.279 178.963 176.600 0.141 0.000 0.992 203 E CA 1.322 57.808 56.400 0.144 0.000 0.804 203 E CB -0.149 29.607 29.700 0.092 0.000 0.741 203 E HN 0.641 nan 8.360 nan 0.000 0.458 204 S N -0.559 115.178 115.700 0.062 0.000 2.368 204 S HA -0.143 4.327 4.470 -0.000 0.000 0.224 204 S C 1.786 176.533 174.600 0.245 0.000 1.029 204 S CA 0.772 59.037 58.200 0.107 0.000 0.988 204 S CB -0.177 63.054 63.200 0.051 0.000 0.838 204 S HN 0.277 nan 8.310 nan 0.000 0.462 205 Y N 0.268 120.599 120.300 0.052 0.000 2.293 205 Y HA 0.117 4.667 4.550 -0.000 0.000 0.291 205 Y C 1.969 177.936 175.900 0.111 0.000 1.137 205 Y CA 0.078 58.186 58.100 0.013 0.000 1.202 205 Y CB -1.027 37.365 38.460 -0.113 0.000 0.990 205 Y HN 0.404 nan 8.280 nan 0.000 0.537 206 F N -0.031 120.067 119.950 0.247 0.000 2.754 206 F HA -0.024 4.502 4.527 -0.000 0.000 0.297 206 F C 0.573 176.487 175.800 0.189 0.000 1.122 206 F CA 0.026 58.164 58.000 0.230 0.000 1.400 206 F CB 0.391 39.538 39.000 0.246 0.000 1.117 206 F HN -0.088 nan 8.300 nan 0.000 0.587 207 Q N 0.901 120.903 119.800 0.336 0.000 2.478 207 Q HA -0.164 4.176 4.340 -0.000 0.000 0.286 207 Q C -0.108 175.977 176.000 0.142 0.000 1.299 207 Q CA 0.713 56.634 55.803 0.195 0.000 0.826 207 Q CB -2.555 26.279 28.738 0.160 0.000 1.199 207 Q HN 0.186 nan 8.270 nan 0.000 0.451 208 T N 0.012 114.660 114.554 0.157 0.000 2.928 208 T HA 0.456 4.806 4.350 -0.000 0.000 0.305 208 T C 0.777 175.506 174.700 0.049 0.000 1.035 208 T CA 0.622 62.776 62.100 0.089 0.000 1.145 208 T CB 1.311 70.240 68.868 0.102 0.000 0.963 208 T HN 0.487 nan 8.240 nan 0.000 0.545 209 G N 0.675 109.489 108.800 0.023 0.000 2.682 209 G HA2 0.552 4.512 3.960 -0.000 0.000 0.290 209 G HA3 0.552 4.512 3.960 -0.000 0.000 0.290 209 G C 0.006 174.916 174.900 0.015 0.000 1.425 209 G CA -0.490 44.617 45.100 0.012 0.000 0.807 209 G HN 0.625 nan 8.290 nan 0.000 0.482 210 T N -2.862 111.702 114.554 0.017 0.000 3.337 210 T HA 0.333 4.683 4.350 -0.000 0.000 0.299 210 T C -0.339 174.378 174.700 0.028 0.000 0.998 210 T CA -0.070 62.050 62.100 0.033 0.000 0.948 210 T CB 0.660 69.552 68.868 0.041 0.000 1.170 210 T HN 0.203 nan 8.240 nan 0.000 0.508 211 D N 0.991 121.389 120.400 -0.004 0.000 2.469 211 D HA 0.160 4.799 4.640 -0.000 0.000 0.213 211 D C 1.702 177.946 176.300 -0.093 0.000 1.135 211 D CA 0.069 54.048 54.000 -0.035 0.000 0.834 211 D CB 0.424 41.197 40.800 -0.044 0.000 1.009 211 D HN 0.270 nan 8.370 nan 0.000 0.507 212 Q N -0.601 119.145 119.800 -0.090 0.000 2.364 212 Q HA 0.020 4.360 4.340 -0.000 0.000 0.209 212 Q C 0.253 175.950 176.000 -0.504 0.000 0.977 212 Q CA 0.900 56.538 55.803 -0.275 0.000 0.885 212 Q CB -0.037 28.525 28.738 -0.292 0.000 0.941 212 Q HN 0.284 nan 8.270 nan 0.000 0.464 213 F N -0.526 119.262 119.950 -0.271 0.000 2.791 213 F HA 0.233 4.760 4.527 -0.000 0.000 0.316 213 F C 1.075 176.658 175.800 -0.361 0.000 1.134 213 F CA -0.613 57.185 58.000 -0.336 0.000 1.222 213 F CB 0.451 39.202 39.000 -0.415 0.000 1.034 213 F HN -0.018 nan 8.300 nan 0.000 0.516 214 K N 0.078 120.389 120.400 -0.148 0.000 2.211 214 K HA -0.059 4.261 4.320 -0.000 0.000 0.203 214 K C 0.798 177.327 176.600 -0.118 0.000 1.050 214 K CA 1.538 57.780 56.287 -0.076 0.000 0.945 214 K CB -0.089 32.360 32.500 -0.085 0.000 0.732 214 K HN 0.299 nan 8.250 nan 0.000 0.451 215 E N 1.625 121.661 120.200 -0.273 0.000 2.496 215 E HA 0.053 4.403 4.350 -0.000 0.000 0.200 215 E C -0.741 175.738 176.600 -0.202 0.000 1.016 215 E CA -0.310 55.762 56.400 -0.547 0.000 0.962 215 E CB 0.940 30.222 29.700 -0.697 0.000 1.071 215 E HN 0.231 nan 8.360 nan 0.000 0.457 216 S N 0.997 116.708 115.700 0.018 0.000 2.489 216 S HA 0.107 4.577 4.470 -0.000 0.000 0.277 216 S C 1.091 175.783 174.600 0.154 0.000 1.230 216 S CA -0.564 57.695 58.200 0.098 0.000 1.053 216 S CB 0.748 64.051 63.200 0.172 0.000 0.955 216 S HN 0.379 nan 8.310 nan 0.000 0.488 217 I N 5.093 125.636 120.570 -0.045 0.000 2.394 217 I HA -0.031 4.139 4.170 -0.000 0.000 0.251 217 I C 2.183 178.172 176.117 -0.214 0.000 1.136 217 I CA 1.155 62.207 61.300 -0.413 0.000 1.425 217 I CB -0.163 37.187 38.000 -1.083 0.000 1.079 217 I HN 0.680 nan 8.210 nan 0.000 0.425 218 R N -0.368 120.088 120.500 -0.074 0.000 2.075 218 R HA -0.189 4.151 4.340 -0.000 0.000 0.232 218 R C 2.413 178.759 176.300 0.076 0.000 1.126 218 R CA 1.793 57.891 56.100 -0.003 0.000 0.963 218 R CB -0.909 29.398 30.300 0.012 0.000 0.858 218 R HN 0.557 nan 8.270 nan 0.000 0.435 219 H N 1.189 120.289 119.070 0.050 0.000 2.319 219 H HA -0.068 4.488 4.556 -0.000 0.000 0.299 219 H C 1.785 177.187 175.328 0.124 0.000 1.092 219 H CA 1.981 58.075 56.048 0.077 0.000 1.302 219 H CB -0.042 29.791 29.762 0.119 0.000 1.373 219 H HN 0.137 nan 8.280 nan 0.000 0.497 220 N N -0.080 118.747 118.700 0.212 0.000 2.216 220 N HA -0.115 4.624 4.740 -0.000 0.000 0.183 220 N C 2.005 177.669 175.510 0.256 0.000 1.017 220 N CA 0.879 54.089 53.050 0.266 0.000 0.861 220 N CB -0.162 38.672 38.487 0.578 0.000 0.986 220 N HN 0.274 nan 8.380 nan 0.000 0.428 221 L N 1.572 122.966 121.223 0.285 0.000 1.971 221 L HA -0.178 4.162 4.340 -0.000 0.000 0.215 221 L C 2.200 179.130 176.870 0.099 0.000 1.072 221 L CA 1.542 56.535 54.840 0.254 0.000 0.758 221 L CB -0.717 41.445 42.059 0.172 0.000 0.889 221 L HN -0.106 nan 8.230 nan 0.000 0.433 222 V N -0.880 119.044 119.914 0.017 0.000 2.307 222 V HA -0.259 3.860 4.120 -0.000 0.000 0.245 222 V C 2.425 178.445 176.094 -0.124 0.000 1.045 222 V CA 1.655 63.925 62.300 -0.050 0.000 1.024 222 V CB -0.686 31.082 31.823 -0.090 0.000 0.651 222 V HN 0.522 nan 8.190 nan 0.000 0.449 223 L N 0.936 122.050 121.223 -0.182 0.000 1.990 223 L HA -0.244 4.096 4.340 -0.000 0.000 0.213 223 L C 2.096 178.889 176.870 -0.127 0.000 1.072 223 L CA 2.442 57.165 54.840 -0.195 0.000 0.755 223 L CB -0.943 40.972 42.059 -0.239 0.000 0.889 223 L HN 0.394 nan 8.230 nan 0.000 0.432 224 N N -1.098 117.580 118.700 -0.037 0.000 2.166 224 N HA -0.238 4.502 4.740 -0.000 0.000 0.186 224 N C 1.754 177.239 175.510 -0.042 0.000 1.019 224 N CA 1.033 54.077 53.050 -0.010 0.000 0.856 224 N CB -0.125 38.382 38.487 0.033 0.000 0.993 224 N HN 0.215 nan 8.380 nan 0.000 0.426 225 K N 1.701 122.073 120.400 -0.046 0.000 2.025 225 K HA -0.023 4.297 4.320 -0.000 0.000 0.207 225 K C 1.697 178.244 176.600 -0.089 0.000 1.049 225 K CA 1.117 57.377 56.287 -0.043 0.000 0.933 225 K CB -0.352 32.145 32.500 -0.006 0.000 0.714 225 K HN 0.119 nan 8.250 nan 0.000 0.438 226 L N 0.051 121.142 121.223 -0.221 0.000 2.093 226 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 226 L C 2.490 179.137 176.870 -0.372 0.000 1.085 226 L CA 1.138 55.712 54.840 -0.442 0.000 0.755 226 L CB -0.741 40.611 42.059 -1.177 0.000 0.904 226 L HN 0.254 nan 8.230 nan 0.000 0.435 227 A N -0.049 122.610 122.820 -0.267 0.000 1.917 227 A HA -0.286 4.033 4.320 -0.000 0.000 0.219 227 A C 2.315 179.939 177.584 0.067 0.000 1.182 227 A CA 2.147 54.198 52.037 0.023 0.000 0.633 227 A CB -0.531 18.498 19.000 0.050 0.000 0.819 227 A HN 0.495 nan 8.150 nan 0.000 0.448 228 E N -0.723 119.482 120.200 0.008 0.000 2.046 228 E HA -0.185 4.165 4.350 -0.000 0.000 0.190 228 E C 1.881 178.482 176.600 0.001 0.000 0.982 228 E CA 0.986 57.389 56.400 0.005 0.000 0.800 228 E CB -0.115 29.572 29.700 -0.022 0.000 0.756 228 E HN 0.509 nan 8.360 nan 0.000 0.449 229 E N -0.213 119.976 120.200 -0.017 0.000 2.118 229 E HA -0.187 4.162 4.350 -0.000 0.000 0.195 229 E C 0.910 177.388 176.600 -0.203 0.000 0.992 229 E CA 1.183 57.514 56.400 -0.115 0.000 0.804 229 E CB -0.122 29.505 29.700 -0.122 0.000 0.741 229 E HN 0.461 nan 8.360 nan 0.000 0.458 230 Y N -0.014 120.321 120.300 0.058 0.000 2.696 230 Y HA 0.207 4.756 4.550 -0.000 0.000 0.260 230 Y C 0.404 176.370 175.900 0.111 0.000 1.165 230 Y CA -0.555 57.618 58.100 0.123 0.000 1.189 230 Y CB 0.387 39.013 38.460 0.277 0.000 1.180 230 Y HN -0.251 nan 8.280 nan 0.000 0.538 231 K N 0.699 121.196 120.400 0.162 0.000 2.466 231 K HA 0.199 4.519 4.320 -0.000 0.000 0.278 231 K C 1.313 177.975 176.600 0.103 0.000 1.048 231 K CA 1.431 57.790 56.287 0.120 0.000 1.088 231 K CB -0.193 32.346 32.500 0.064 0.000 0.884 231 K HN 0.577 nan 8.250 nan 0.000 0.478 232 G N 3.006 111.869 108.800 0.106 0.000 2.184 232 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.264 232 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.264 232 G C 0.629 175.585 174.900 0.094 0.000 0.975 232 G CA 0.773 45.923 45.100 0.083 0.000 0.642 232 G HN 0.716 nan 8.290 nan 0.000 0.536 233 Q N -1.158 118.725 119.800 0.138 0.000 2.581 233 Q HA 0.258 4.598 4.340 -0.000 0.000 0.222 233 Q C 1.248 177.321 176.000 0.122 0.000 0.904 233 Q CA 0.228 56.117 55.803 0.144 0.000 0.923 233 Q CB 0.790 29.647 28.738 0.199 0.000 1.117 233 Q HN 0.455 nan 8.270 nan 0.000 0.618 234 R N 0.947 121.530 120.500 0.138 0.000 2.744 234 R HA 0.352 4.692 4.340 -0.000 0.000 0.279 234 R C -1.490 174.819 176.300 0.015 0.000 0.977 234 R CA -0.639 55.437 56.100 -0.039 0.000 0.906 234 R CB 1.683 31.764 30.300 -0.366 0.000 1.197 234 R HN 0.039 nan 8.270 nan 0.000 0.463 235 D N 1.559 121.898 120.400 -0.101 0.000 2.181 235 D HA 0.382 5.022 4.640 -0.000 0.000 0.248 235 D C -0.728 175.437 176.300 -0.225 0.000 1.020 235 D CA 0.072 54.060 54.000 -0.021 0.000 0.891 235 D CB 1.158 41.960 40.800 0.003 0.000 1.187 235 D HN 0.160 nan 8.370 nan 0.000 0.443 236 F N 0.518 120.470 119.950 0.004 0.000 2.551 236 F HA 0.359 4.886 4.527 -0.000 0.000 0.316 236 F C 0.425 176.234 175.800 0.015 0.000 1.089 236 F CA -0.645 57.349 58.000 -0.010 0.000 0.915 236 F CB 1.968 40.957 39.000 -0.018 0.000 1.186 236 F HN 0.211 nan 8.300 nan 0.000 0.456 237 Q N 0.549 120.460 119.800 0.185 0.000 2.707 237 Q HA 0.364 4.704 4.340 -0.000 0.000 0.307 237 Q C -1.572 174.535 176.000 0.178 0.000 0.934 237 Q CA -1.294 54.602 55.803 0.154 0.000 0.753 237 Q CB 1.849 30.645 28.738 0.097 0.000 1.478 237 Q HN 0.607 nan 8.270 nan 0.000 0.458 238 Q N 0.957 120.886 119.800 0.216 0.000 2.337 238 Q HA 0.224 4.564 4.340 -0.000 0.000 0.270 238 Q C -0.451 175.616 176.000 0.112 0.000 1.002 238 Q CA -0.189 55.753 55.803 0.232 0.000 0.888 238 Q CB 0.517 29.355 28.738 0.167 0.000 1.222 238 Q HN 0.575 nan 8.270 nan 0.000 0.400 239 I N 6.611 127.225 120.570 0.075 0.000 2.821 239 I HA -0.099 4.071 4.170 -0.000 0.000 0.294 239 I C -1.984 174.150 176.117 0.028 0.000 1.210 239 I CA -1.180 60.139 61.300 0.033 0.000 1.430 239 I CB 0.066 38.059 38.000 -0.012 0.000 1.356 239 I HN 0.439 nan 8.210 nan 0.000 0.563 240 P HA 0.271 nan 4.420 nan 0.000 0.276 240 P C -0.943 176.346 177.300 -0.017 0.000 1.243 240 P CA 0.056 63.158 63.100 0.004 0.000 0.768 240 P CB 0.514 32.206 31.700 -0.014 0.000 0.856 241 L N 2.437 123.658 121.223 -0.004 0.000 2.409 241 L HA 0.601 4.941 4.340 -0.000 0.000 0.272 241 L C 0.168 177.023 176.870 -0.026 0.000 0.980 241 L CA -1.147 53.685 54.840 -0.013 0.000 0.826 241 L CB 2.141 44.264 42.059 0.106 0.000 1.268 241 L HN 0.263 nan 8.230 nan 0.000 0.407 242 A N 3.312 126.066 122.820 -0.110 0.000 2.544 242 A HA 0.744 5.064 4.320 -0.000 0.000 0.301 242 A C 0.093 177.691 177.584 0.025 0.000 1.368 242 A CA 0.233 52.240 52.037 -0.050 0.000 1.045 242 A CB -0.308 18.571 19.000 -0.201 0.000 1.129 242 A HN 0.807 nan 8.150 nan 0.000 0.540 243 A N 2.067 124.876 122.820 -0.018 0.000 2.597 243 A HA 0.799 5.119 4.320 -0.000 0.000 0.292 243 A C -0.492 176.982 177.584 -0.183 0.000 1.057 243 A CA -0.495 51.439 52.037 -0.172 0.000 0.674 243 A CB 0.869 19.593 19.000 -0.461 0.000 1.278 243 A HN 0.729 nan 8.150 nan 0.000 0.416 244 T N 1.000 115.406 114.554 -0.247 0.000 2.881 244 T HA 0.523 4.872 4.350 -0.000 0.000 0.290 244 T C -0.253 174.281 174.700 -0.276 0.000 1.000 244 T CA -0.478 61.506 62.100 -0.194 0.000 0.978 244 T CB 1.432 70.246 68.868 -0.091 0.000 0.997 244 T HN 0.745 nan 8.240 nan 0.000 0.443 245 R N 1.872 122.204 120.500 -0.281 0.000 2.298 245 R HA 0.348 4.688 4.340 -0.000 0.000 0.310 245 R C 0.743 176.945 176.300 -0.164 0.000 1.068 245 R CA -0.438 55.478 56.100 -0.306 0.000 0.957 245 R CB 0.408 30.492 30.300 -0.361 0.000 1.003 245 R HN 0.314 nan 8.270 nan 0.000 0.454 246 R N 1.071 121.524 120.500 -0.078 0.000 2.156 246 R HA 0.150 4.490 4.340 -0.000 0.000 0.207 246 R C -0.074 176.211 176.300 -0.025 0.000 1.040 246 R CA 1.034 57.132 56.100 -0.002 0.000 1.013 246 R CB 0.214 30.593 30.300 0.131 0.000 0.931 246 R HN 0.800 nan 8.270 nan 0.000 0.465 247 S N -2.713 112.973 115.700 -0.023 0.000 2.643 247 S HA 0.401 4.871 4.470 -0.000 0.000 0.270 247 S C -2.508 172.051 174.600 -0.069 0.000 1.166 247 S CA -1.151 57.028 58.200 -0.035 0.000 0.815 247 S CB 1.621 64.823 63.200 0.004 0.000 1.139 247 S HN -0.206 nan 8.310 nan 0.000 0.472 248 P HA -0.074 nan 4.420 nan 0.000 0.218 248 P C 1.216 178.477 177.300 -0.064 0.000 1.146 248 P CA 2.233 65.286 63.100 -0.079 0.000 0.820 248 P CB -0.197 31.478 31.700 -0.042 0.000 0.778 249 T N -7.133 107.415 114.554 -0.011 0.000 2.985 249 T HA 0.205 4.555 4.350 -0.000 0.000 0.254 249 T C 0.049 174.777 174.700 0.047 0.000 1.021 249 T CA -0.258 61.855 62.100 0.021 0.000 0.957 249 T CB -0.377 68.528 68.868 0.062 0.000 1.047 249 T HN -0.105 nan 8.240 nan 0.000 0.511 250 F N 2.173 122.057 119.950 -0.110 0.000 2.467 250 F HA 0.665 5.192 4.527 -0.000 0.000 0.336 250 F C -1.213 174.452 175.800 -0.225 0.000 1.123 250 F CA -1.231 56.698 58.000 -0.119 0.000 0.964 250 F CB 1.836 40.786 39.000 -0.084 0.000 1.136 250 F HN -0.169 nan 8.300 nan 0.000 0.447 251 V N 5.612 125.006 119.914 -0.867 0.000 2.384 251 V HA 0.228 4.348 4.120 -0.000 0.000 0.287 251 V C -0.201 175.285 176.094 -1.015 0.000 1.020 251 V CA -0.859 60.907 62.300 -0.891 0.000 0.850 251 V CB 1.513 32.643 31.823 -1.155 0.000 0.987 251 V HN 0.677 nan 8.190 nan 0.000 0.436 252 E N 4.521 124.436 120.200 -0.475 0.000 1.932 252 E HA 0.114 4.464 4.350 -0.000 0.000 0.275 252 E C -1.069 175.332 176.600 -0.333 0.000 1.159 252 E CA -0.417 55.865 56.400 -0.196 0.000 0.905 252 E CB 0.402 30.143 29.700 0.068 0.000 1.059 252 E HN 0.625 nan 8.360 nan 0.000 0.400 253 W N 2.314 123.518 121.300 -0.161 0.000 2.216 253 W HA 0.072 4.732 4.660 -0.000 0.000 0.326 253 W C 0.771 177.317 176.519 0.045 0.000 1.319 253 W CA -0.497 56.729 57.345 -0.200 0.000 1.213 253 W CB 0.658 29.743 29.460 -0.625 0.000 1.171 253 W HN 0.267 nan 8.180 nan 0.000 0.557 254 S N 1.853 117.771 115.700 0.363 0.000 2.603 254 S HA 0.559 5.029 4.470 -0.000 0.000 0.268 254 S C 0.223 175.263 174.600 0.735 0.000 1.317 254 S CA -0.633 57.844 58.200 0.463 0.000 1.012 254 S CB 1.010 64.469 63.200 0.432 0.000 0.926 254 S HN 0.512 nan 8.310 nan 0.000 0.539 255 S N 0.229 116.300 115.700 0.617 0.000 2.790 255 S HA 0.735 5.205 4.470 -0.000 0.000 0.292 255 S C 0.972 175.781 174.600 0.349 0.000 1.197 255 S CA -0.357 58.144 58.200 0.501 0.000 0.851 255 S CB 0.508 63.927 63.200 0.366 0.000 1.217 255 S HN 0.681 nan 8.310 nan 0.000 0.526 256 A N 1.764 124.674 122.820 0.149 0.000 1.884 256 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 256 A C 2.019 179.651 177.584 0.081 0.000 1.197 256 A CA 2.336 54.414 52.037 0.069 0.000 0.637 256 A CB -1.757 17.256 19.000 0.022 0.000 0.827 256 A HN 0.884 nan 8.150 nan 0.000 0.450 257 N N -0.737 118.019 118.700 0.094 0.000 2.132 257 N HA -0.183 4.557 4.740 -0.000 0.000 0.191 257 N C 1.575 177.119 175.510 0.057 0.000 1.015 257 N CA 2.189 55.272 53.050 0.055 0.000 0.864 257 N CB -0.260 38.275 38.487 0.080 0.000 1.006 257 N HN 0.515 nan 8.380 nan 0.000 0.430 258 T N 0.315 114.955 114.554 0.142 0.000 2.788 258 T HA -0.055 4.295 4.350 -0.000 0.000 0.268 258 T C 2.055 176.802 174.700 0.079 0.000 1.044 258 T CA 1.076 63.265 62.100 0.149 0.000 1.139 258 T CB -0.140 68.897 68.868 0.283 0.000 0.867 258 T HN 0.075 nan 8.240 nan 0.000 0.454 259 V N -0.566 119.375 119.914 0.045 0.000 2.346 259 V HA 0.197 4.317 4.120 -0.000 0.000 0.244 259 V C 0.465 176.523 176.094 -0.061 0.000 1.037 259 V CA 0.875 63.129 62.300 -0.076 0.000 1.029 259 V CB -0.316 31.410 31.823 -0.161 0.000 0.663 259 V HN 0.465 nan 8.190 nan 0.000 0.454 260 F N 1.051 120.878 119.950 -0.204 0.000 2.588 260 F HA 0.395 4.922 4.527 -0.000 0.000 0.318 260 F C 0.379 176.062 175.800 -0.195 0.000 1.155 260 F CA -1.694 56.155 58.000 -0.252 0.000 0.967 260 F CB 1.512 40.311 39.000 -0.335 0.000 1.236 260 F HN 0.152 nan 8.300 nan 0.000 0.455 261 D N 4.588 124.529 120.400 -0.765 0.000 2.310 261 D HA -0.101 4.539 4.640 -0.000 0.000 0.212 261 D C 1.179 177.199 176.300 -0.466 0.000 0.965 261 D CA 1.336 55.039 54.000 -0.496 0.000 0.879 261 D CB -0.061 40.507 40.800 -0.387 0.000 0.921 261 D HN 0.682 nan 8.370 nan 0.000 0.510 262 L N -1.980 118.778 121.223 -0.775 0.000 4.696 262 L HA -0.226 4.114 4.340 -0.000 0.000 0.425 262 L C -0.220 176.606 176.870 -0.073 0.000 1.115 262 L CA 0.346 55.025 54.840 -0.269 0.000 0.996 262 L CB -1.481 40.581 42.059 0.005 0.000 2.077 262 L HN 0.207 nan 8.230 nan 0.000 0.792 263 Q N 0.783 120.441 119.800 -0.237 0.000 2.327 263 Q HA 0.234 4.573 4.340 -0.000 0.000 0.254 263 Q C 0.371 176.436 176.000 0.108 0.000 0.952 263 Q CA -0.152 55.609 55.803 -0.070 0.000 0.884 263 Q CB 0.660 29.322 28.738 -0.127 0.000 1.224 263 Q HN 0.103 nan 8.270 nan 0.000 0.422 264 N N 1.958 120.724 118.700 0.111 0.000 2.454 264 N HA 0.024 4.764 4.740 -0.000 0.000 0.260 264 N C -0.452 175.133 175.510 0.124 0.000 1.218 264 N CA 0.463 53.588 53.050 0.124 0.000 0.904 264 N CB 0.469 38.944 38.487 -0.021 0.000 1.065 264 N HN 0.192 nan 8.380 nan 0.000 0.462 265 R N 2.498 123.118 120.500 0.200 0.000 2.637 265 R HA 0.518 4.858 4.340 -0.000 0.000 0.291 265 R C -2.406 173.990 176.300 0.160 0.000 0.963 265 R CA -1.674 54.527 56.100 0.168 0.000 0.901 265 R CB 1.575 32.004 30.300 0.214 0.000 1.160 265 R HN 0.376 nan 8.270 nan 0.000 0.457 266 P HA 0.190 nan 4.420 nan 0.000 0.278 266 P C -1.363 175.990 177.300 0.088 0.000 1.238 266 P CA -0.505 62.684 63.100 0.150 0.000 0.794 266 P CB 0.876 32.708 31.700 0.219 0.000 0.955 267 N N -0.904 117.831 118.700 0.058 0.000 3.157 267 N HA 0.273 5.012 4.740 -0.000 0.000 0.291 267 N C 0.579 176.096 175.510 0.011 0.000 1.515 267 N CA -0.721 52.345 53.050 0.027 0.000 0.807 267 N CB -0.693 37.800 38.487 0.009 0.000 1.672 267 N HN 0.045 nan 8.380 nan 0.000 0.592 268 T N -0.463 114.090 114.554 -0.001 0.000 2.720 268 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 268 T C 0.212 174.902 174.700 -0.017 0.000 1.037 268 T CA 2.124 64.219 62.100 -0.009 0.000 1.144 268 T CB -0.562 68.299 68.868 -0.012 0.000 0.864 268 T HN 0.598 nan 8.240 nan 0.000 0.444 269 D N 0.644 121.030 120.400 -0.023 0.000 2.333 269 D HA 0.316 4.956 4.640 -0.000 0.000 0.208 269 D C 0.726 177.009 176.300 -0.028 0.000 0.984 269 D CA 0.420 54.401 54.000 -0.031 0.000 0.873 269 D CB 0.230 41.005 40.800 -0.043 0.000 0.935 269 D HN 0.353 nan 8.370 nan 0.000 0.521 270 A N 0.815 123.625 122.820 -0.018 0.000 3.317 270 A HA 0.292 4.612 4.320 -0.000 0.000 0.307 270 A C -1.935 175.654 177.584 0.007 0.000 1.003 270 A CA -0.899 51.136 52.037 -0.005 0.000 0.882 270 A CB 0.581 19.588 19.000 0.011 0.000 1.136 270 A HN -0.111 nan 8.150 nan 0.000 0.488 271 P HA -0.075 nan 4.420 nan 0.000 0.225 271 P C 0.476 177.721 177.300 -0.091 0.000 1.156 271 P CA 1.101 64.185 63.100 -0.025 0.000 0.787 271 P CB 0.462 32.134 31.700 -0.047 0.000 0.802 272 E N -0.087 120.026 120.200 -0.146 0.000 2.501 272 E HA 0.138 4.488 4.350 -0.000 0.000 0.200 272 E C 0.095 176.652 176.600 -0.073 0.000 1.016 272 E CA 0.043 56.245 56.400 -0.331 0.000 0.921 272 E CB 0.540 30.020 29.700 -0.367 0.000 1.034 272 E HN 0.492 nan 8.360 nan 0.000 0.468 273 E N 1.022 121.268 120.200 0.077 0.000 2.214 273 E HA 0.392 4.741 4.350 -0.000 0.000 0.274 273 E C -0.298 176.462 176.600 0.267 0.000 0.977 273 E CA -0.460 56.040 56.400 0.166 0.000 0.827 273 E CB 1.413 31.195 29.700 0.136 0.000 1.130 273 E HN -0.122 nan 8.360 nan 0.000 0.394 274 R N 2.304 122.968 120.500 0.274 0.000 2.435 274 R HA 0.441 4.781 4.340 -0.000 0.000 0.308 274 R C -1.382 175.092 176.300 0.290 0.000 0.975 274 R CA -0.550 55.704 56.100 0.256 0.000 0.867 274 R CB 1.012 31.434 30.300 0.202 0.000 1.171 274 R HN 0.387 nan 8.270 nan 0.000 0.470 275 F N 1.977 121.981 119.950 0.090 0.000 2.608 275 F HA 0.466 4.993 4.527 -0.000 0.000 0.309 275 F C -1.594 174.174 175.800 -0.053 0.000 1.103 275 F CA -0.727 57.297 58.000 0.040 0.000 0.954 275 F CB 2.227 41.317 39.000 0.149 0.000 1.267 275 F HN 0.407 nan 8.300 nan 0.000 0.444 276 N N 4.595 122.614 118.700 -1.136 0.000 2.430 276 N HA 0.516 5.256 4.740 -0.000 0.000 0.290 276 N C -2.077 172.407 175.510 -1.710 0.000 1.063 276 N CA -0.582 51.758 53.050 -1.183 0.000 0.883 276 N CB 2.262 40.254 38.487 -0.826 0.000 1.465 276 N HN 0.561 nan 8.380 nan 0.000 0.493 277 L N 2.679 123.112 121.223 -1.316 0.000 2.289 277 L HA 0.636 4.975 4.340 -0.000 0.000 0.285 277 L C -1.566 174.705 176.870 -0.999 0.000 1.049 277 L CA -0.171 54.131 54.840 -0.896 0.000 0.804 277 L CB 0.109 42.025 42.059 -0.239 0.000 1.195 277 L HN 0.461 nan 8.230 nan 0.000 0.428 278 F N 6.063 125.752 119.950 -0.434 0.000 2.443 278 F HA 0.513 5.040 4.527 -0.000 0.000 0.369 278 F C -2.149 173.597 175.800 -0.091 0.000 1.090 278 F CA -2.068 55.766 58.000 -0.276 0.000 1.129 278 F CB 0.732 39.496 39.000 -0.393 0.000 1.367 278 F HN 0.412 nan 8.300 nan 0.000 0.465 279 P HA 0.321 nan 4.420 nan 0.000 0.276 279 P C -0.002 177.362 177.300 0.107 0.000 1.244 279 P CA -0.173 62.974 63.100 0.078 0.000 0.801 279 P CB 1.144 32.870 31.700 0.043 0.000 1.006 280 A N -0.224 122.643 122.820 0.079 0.000 2.791 280 A HA -0.096 4.224 4.320 -0.000 0.000 0.292 280 A C -0.082 177.539 177.584 0.062 0.000 1.487 280 A CA 0.634 52.707 52.037 0.061 0.000 0.760 280 A CB -2.390 16.645 19.000 0.058 0.000 1.031 280 A HN 0.271 nan 8.150 nan 0.000 0.503 281 V N -0.103 119.867 119.914 0.092 0.000 2.409 281 V HA 0.646 4.766 4.120 -0.000 0.000 0.290 281 V C 0.607 176.719 176.094 0.030 0.000 1.017 281 V CA -0.261 62.099 62.300 0.101 0.000 0.841 281 V CB 1.499 33.499 31.823 0.295 0.000 1.003 281 V HN 1.511 nan 8.190 nan 0.000 0.426 282 A N 4.408 127.210 122.820 -0.030 0.000 2.350 282 A HA 0.410 4.730 4.320 -0.000 0.000 0.293 282 A C 0.274 177.837 177.584 -0.035 0.000 1.231 282 A CA -0.164 51.833 52.037 -0.067 0.000 0.883 282 A CB -0.267 18.719 19.000 -0.023 0.000 1.133 282 A HN 0.863 nan 8.150 nan 0.000 0.533 283 C N 2.772 122.027 119.300 -0.074 0.000 2.585 283 C HA 0.269 4.729 4.460 -0.000 0.000 0.406 283 C C 1.432 176.385 174.990 -0.061 0.000 1.312 283 C CA -0.172 58.792 59.018 -0.090 0.000 1.924 283 C CB -0.429 27.250 27.740 -0.102 0.000 2.578 283 C HN 0.998 nan 8.230 nan 0.000 0.580 284 E N 0.580 120.758 120.200 -0.036 0.000 2.332 284 E HA 0.136 4.486 4.350 -0.000 0.000 0.202 284 E C 0.573 177.145 176.600 -0.048 0.000 0.877 284 E CA 0.208 56.595 56.400 -0.021 0.000 0.979 284 E CB 0.592 30.303 29.700 0.019 0.000 0.969 284 E HN 0.611 nan 8.360 nan 0.000 0.495 285 R N 0.734 121.195 120.500 -0.065 0.000 2.561 285 R HA 0.224 4.564 4.340 -0.000 0.000 0.266 285 R C -1.635 174.554 176.300 -0.185 0.000 1.091 285 R CA -0.482 55.544 56.100 -0.124 0.000 0.927 285 R CB 1.849 32.058 30.300 -0.151 0.000 1.240 285 R HN -0.031 nan 8.270 nan 0.000 0.449 286 V N 1.337 121.137 119.914 -0.190 0.000 2.472 286 V HA 0.650 4.770 4.120 -0.000 0.000 0.290 286 V C -0.309 175.630 176.094 -0.258 0.000 1.037 286 V CA -0.705 61.440 62.300 -0.257 0.000 0.908 286 V CB 1.668 33.330 31.823 -0.269 0.000 0.985 286 V HN 0.408 nan 8.190 nan 0.000 0.454 287 V N 5.611 125.337 119.914 -0.315 0.000 2.406 287 V HA 0.467 4.587 4.120 -0.000 0.000 0.272 287 V C 0.567 176.577 176.094 -0.140 0.000 1.043 287 V CA -0.452 61.699 62.300 -0.249 0.000 0.915 287 V CB 0.908 32.573 31.823 -0.263 0.000 0.988 287 V HN 0.963 nan 8.190 nan 0.000 0.466 288 R N 3.953 124.400 120.500 -0.089 0.000 2.357 288 R HA 0.307 4.646 4.340 -0.000 0.000 0.296 288 R C 0.507 176.830 176.300 0.038 0.000 1.052 288 R CA -0.529 55.596 56.100 0.043 0.000 0.988 288 R CB 0.511 30.819 30.300 0.013 0.000 1.025 288 R HN 0.878 nan 8.270 nan 0.000 0.469 289 N N 2.033 120.781 118.700 0.080 0.000 2.235 289 N HA -0.054 4.686 4.740 -0.000 0.000 0.231 289 N C 0.657 176.168 175.510 0.001 0.000 1.330 289 N CA 0.419 53.487 53.050 0.029 0.000 0.898 289 N CB 0.255 38.759 38.487 0.028 0.000 1.151 289 N HN 0.546 nan 8.380 nan 0.000 0.472 290 A N -0.534 122.280 122.820 -0.011 0.000 1.902 290 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 290 A C 1.969 179.529 177.584 -0.039 0.000 1.181 290 A CA 1.095 53.119 52.037 -0.022 0.000 0.623 290 A CB -0.635 18.355 19.000 -0.016 0.000 0.818 290 A HN 0.502 nan 8.150 nan 0.000 0.443 291 L N -0.213 120.977 121.223 -0.055 0.000 2.552 291 L HA 0.051 4.391 4.340 -0.000 0.000 0.227 291 L C 0.149 176.933 176.870 -0.144 0.000 1.146 291 L CA 0.646 55.435 54.840 -0.084 0.000 0.858 291 L CB -1.319 40.690 42.059 -0.083 0.000 0.969 291 L HN 0.486 nan 8.230 nan 0.000 0.451 292 N N -0.327 118.277 118.700 -0.161 0.000 2.725 292 N HA -0.201 4.539 4.740 -0.000 0.000 0.251 292 N C 1.007 175.965 175.510 -0.920 0.000 1.031 292 N CA 0.949 53.803 53.050 -0.326 0.000 0.720 292 N CB -1.242 37.178 38.487 -0.111 0.000 0.930 292 N HN 0.539 nan 8.380 nan 0.000 0.543 293 S N -2.228 113.050 115.700 -0.704 0.000 2.604 293 S HA 0.278 4.748 4.470 -0.000 0.000 0.235 293 S C 0.307 174.673 174.600 -0.390 0.000 1.043 293 S CA -0.205 57.642 58.200 -0.589 0.000 0.997 293 S CB 1.647 64.701 63.200 -0.243 0.000 0.956 293 S HN 0.350 nan 8.310 nan 0.000 0.535 294 E N 0.136 120.239 120.200 -0.161 0.000 2.390 294 E HA 0.419 4.768 4.350 -0.000 0.000 0.280 294 E C -1.727 175.082 176.600 0.349 0.000 0.992 294 E CA -0.815 55.699 56.400 0.190 0.000 0.790 294 E CB 1.532 31.303 29.700 0.118 0.000 1.248 294 E HN 0.091 nan 8.360 nan 0.000 0.447 295 I N 3.271 123.997 120.570 0.260 0.000 2.342 295 I HA 0.093 4.263 4.170 -0.000 0.000 0.291 295 I C 1.240 177.327 176.117 -0.051 0.000 1.010 295 I CA 0.391 61.676 61.300 -0.026 0.000 1.308 295 I CB 1.065 38.815 38.000 -0.415 0.000 1.400 295 I HN 0.687 nan 8.210 nan 0.000 0.488 296 E N 3.648 123.808 120.200 -0.066 0.000 2.140 296 E HA 0.013 4.363 4.350 -0.000 0.000 0.191 296 E C 0.353 176.990 176.600 0.061 0.000 0.973 296 E CA 0.616 57.033 56.400 0.029 0.000 0.829 296 E CB 0.471 30.189 29.700 0.030 0.000 0.781 296 E HN 0.749 nan 8.360 nan 0.000 0.466 297 S N -0.320 115.325 115.700 -0.093 0.000 2.636 297 S HA 0.485 4.955 4.470 -0.000 0.000 0.266 297 S C -1.578 172.955 174.600 -0.111 0.000 1.147 297 S CA -1.086 57.143 58.200 0.048 0.000 0.815 297 S CB 1.540 64.831 63.200 0.151 0.000 1.119 297 S HN 0.053 nan 8.310 nan 0.000 0.470 298 L N 1.290 122.581 121.223 0.113 0.000 2.356 298 L HA 0.601 4.941 4.340 -0.000 0.000 0.277 298 L C -1.125 175.835 176.870 0.150 0.000 0.996 298 L CA -0.201 54.662 54.840 0.038 0.000 0.822 298 L CB 1.422 43.542 42.059 0.102 0.000 1.256 298 L HN 0.924 nan 8.230 nan 0.000 0.413 299 H N 5.880 124.905 119.070 -0.075 0.000 2.552 299 H HA 0.550 5.106 4.556 -0.000 0.000 0.311 299 H C -0.383 174.888 175.328 -0.094 0.000 1.071 299 H CA -0.660 55.347 56.048 -0.068 0.000 1.307 299 H CB 1.229 30.955 29.762 -0.059 0.000 1.416 299 H HN 0.675 nan 8.280 nan 0.000 0.464 300 I N -0.449 120.129 120.570 0.013 0.000 2.910 300 I HA 0.402 4.572 4.170 -0.000 0.000 0.310 300 I C -0.597 175.574 176.117 0.090 0.000 1.043 300 I CA -0.951 60.322 61.300 -0.044 0.000 1.053 300 I CB 2.608 40.451 38.000 -0.262 0.000 1.242 300 I HN 0.593 nan 8.210 nan 0.000 0.452 301 H N 2.442 121.502 119.070 -0.017 0.000 2.970 301 H HA 0.213 4.769 4.556 -0.000 0.000 0.315 301 H C -1.388 173.982 175.328 0.070 0.000 0.992 301 H CA -0.693 55.366 56.048 0.018 0.000 1.363 301 H CB 1.249 31.020 29.762 0.015 0.000 1.532 301 H HN 0.805 nan 8.280 nan 0.000 0.514 302 D N 5.670 126.160 120.400 0.150 0.000 2.363 302 D HA -0.024 4.616 4.640 -0.000 0.000 0.263 302 D C 1.135 177.346 176.300 -0.148 0.000 1.258 302 D CA -0.013 54.027 54.000 0.067 0.000 0.907 302 D CB 0.996 41.934 40.800 0.231 0.000 1.107 302 D HN 0.689 nan 8.370 nan 0.000 0.495 303 L N 4.430 125.537 121.223 -0.193 0.000 2.313 303 L HA -0.116 4.223 4.340 -0.000 0.000 0.214 303 L C 2.058 178.889 176.870 -0.064 0.000 1.119 303 L CA 0.085 54.789 54.840 -0.227 0.000 0.809 303 L CB -0.079 41.918 42.059 -0.104 0.000 0.933 303 L HN 0.533 nan 8.230 nan 0.000 0.449 304 I N -0.158 120.411 120.570 -0.002 0.000 2.206 304 I HA -0.189 3.981 4.170 -0.000 0.000 0.239 304 I C 2.832 178.975 176.117 0.043 0.000 1.078 304 I CA 1.856 63.173 61.300 0.030 0.000 1.367 304 I CB -1.299 36.729 38.000 0.047 0.000 1.078 304 I HN 0.301 nan 8.210 nan 0.000 0.413 305 S N 0.379 116.119 115.700 0.067 0.000 2.387 305 S HA 0.032 4.502 4.470 -0.000 0.000 0.226 305 S C 1.888 176.538 174.600 0.083 0.000 1.026 305 S CA 1.290 59.541 58.200 0.084 0.000 0.972 305 S CB -0.136 63.141 63.200 0.128 0.000 0.814 305 S HN 0.632 nan 8.310 nan 0.000 0.477 306 G N 1.040 109.900 108.800 0.098 0.000 2.234 306 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.235 306 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.235 306 G C -0.281 174.737 174.900 0.197 0.000 0.997 306 G CA 0.091 45.297 45.100 0.176 0.000 0.623 306 G HN 0.574 nan 8.290 nan 0.000 0.514 307 D N 0.873 121.327 120.400 0.090 0.000 2.368 307 D HA 0.418 5.057 4.640 -0.000 0.000 0.240 307 D C 0.845 177.036 176.300 -0.181 0.000 1.169 307 D CA 0.316 54.239 54.000 -0.130 0.000 0.906 307 D CB 0.625 41.269 40.800 -0.260 0.000 1.187 307 D HN 0.370 nan 8.370 nan 0.000 0.435 308 R N 0.538 120.739 120.500 -0.499 0.000 2.711 308 R HA 0.606 4.946 4.340 -0.000 0.000 0.284 308 R C -0.786 175.055 176.300 -0.765 0.000 0.968 308 R CA -0.671 55.187 56.100 -0.404 0.000 0.924 308 R CB 1.277 31.394 30.300 -0.305 0.000 1.162 308 R HN 0.292 nan 8.270 nan 0.000 0.465 309 F N -0.248 119.638 119.950 -0.106 0.000 2.643 309 F HA 0.277 4.803 4.527 -0.000 0.000 0.314 309 F C -0.133 175.569 175.800 -0.162 0.000 1.096 309 F CA -0.922 57.003 58.000 -0.126 0.000 0.953 309 F CB 1.942 40.886 39.000 -0.093 0.000 1.345 309 F HN 0.397 nan 8.300 nan 0.000 0.468 310 E N 2.408 122.666 120.200 0.096 0.000 2.114 310 E HA 0.473 4.823 4.350 -0.000 0.000 0.266 310 E C -1.512 175.168 176.600 0.133 0.000 0.896 310 E CA -0.487 55.959 56.400 0.076 0.000 0.750 310 E CB 0.670 30.377 29.700 0.013 0.000 1.121 310 E HN 0.380 nan 8.360 nan 0.000 0.413 311 I N 3.822 124.475 120.570 0.139 0.000 2.359 311 I HA 0.361 4.531 4.170 -0.000 0.000 0.294 311 I C -0.006 176.251 176.117 0.234 0.000 0.987 311 I CA -0.778 60.615 61.300 0.154 0.000 1.225 311 I CB 1.217 39.268 38.000 0.085 0.000 1.366 311 I HN 0.533 nan 8.210 nan 0.000 0.466 312 K N 3.735 124.264 120.400 0.216 0.000 2.207 312 K HA 0.874 5.194 4.320 -0.000 0.000 0.255 312 K C -0.708 175.981 176.600 0.149 0.000 0.941 312 K CA -0.348 56.077 56.287 0.231 0.000 0.825 312 K CB 2.604 35.206 32.500 0.170 0.000 1.119 312 K HN 0.836 nan 8.250 nan 0.000 0.430 313 A N 1.275 124.113 122.820 0.031 0.000 2.568 313 A HA 0.380 4.700 4.320 -0.000 0.000 0.291 313 A C -0.642 176.853 177.584 -0.149 0.000 1.159 313 A CA -0.628 51.310 52.037 -0.165 0.000 0.679 313 A CB 0.857 19.615 19.000 -0.404 0.000 1.285 313 A HN 0.677 nan 8.150 nan 0.000 0.428 314 D N -0.783 119.554 120.400 -0.105 0.000 2.216 314 D HA 0.182 4.822 4.640 -0.000 0.000 0.208 314 D C 0.223 176.465 176.300 -0.096 0.000 0.960 314 D CA 1.478 55.501 54.000 0.038 0.000 0.861 314 D CB 0.357 41.253 40.800 0.160 0.000 0.985 314 D HN 0.211 nan 8.370 nan 0.000 0.493 315 V N 0.917 120.610 119.914 -0.368 0.000 2.588 315 V HA 0.315 4.435 4.120 -0.000 0.000 0.304 315 V C -1.278 174.570 176.094 -0.410 0.000 1.042 315 V CA -0.860 61.211 62.300 -0.382 0.000 0.877 315 V CB 1.746 33.224 31.823 -0.575 0.000 0.996 315 V HN -0.054 nan 8.190 nan 0.000 0.425 316 Y N 2.727 123.011 120.300 -0.026 0.000 2.350 316 Y HA 0.697 5.247 4.550 -0.000 0.000 0.338 316 Y C -0.190 175.669 175.900 -0.069 0.000 0.961 316 Y CA -0.975 57.098 58.100 -0.046 0.000 1.100 316 Y CB 2.205 40.638 38.460 -0.044 0.000 1.179 316 Y HN 0.355 nan 8.280 nan 0.000 0.454 317 V N 5.387 125.277 119.914 -0.040 0.000 2.444 317 V HA 0.380 4.500 4.120 -0.000 0.000 0.294 317 V C -0.426 175.543 176.094 -0.208 0.000 1.022 317 V CA -0.906 61.255 62.300 -0.232 0.000 0.850 317 V CB 1.562 33.051 31.823 -0.557 0.000 0.992 317 V HN 0.602 nan 8.190 nan 0.000 0.426 318 L N 5.254 126.348 121.223 -0.215 0.000 2.255 318 L HA 0.532 4.872 4.340 -0.000 0.000 0.289 318 L C 0.426 177.192 176.870 -0.173 0.000 1.046 318 L CA -0.111 54.622 54.840 -0.179 0.000 0.816 318 L CB 1.345 43.281 42.059 -0.204 0.000 1.197 318 L HN 0.819 nan 8.230 nan 0.000 0.427 319 T N -1.319 113.168 114.554 -0.112 0.000 3.630 319 T HA 0.410 4.759 4.350 -0.000 0.000 0.238 319 T C 0.509 175.212 174.700 0.004 0.000 1.195 319 T CA -0.251 61.821 62.100 -0.047 0.000 1.433 319 T CB 0.999 69.840 68.868 -0.046 0.000 0.940 319 T HN 0.533 nan 8.240 nan 0.000 0.641 320 A N 0.835 123.669 122.820 0.024 0.000 2.460 320 A HA 0.797 5.117 4.320 -0.000 0.000 0.258 320 A C 1.293 178.953 177.584 0.126 0.000 1.300 320 A CA -0.056 52.017 52.037 0.060 0.000 0.913 320 A CB -0.788 18.241 19.000 0.049 0.000 1.031 320 A HN 1.755 nan 8.150 nan 0.000 0.512 321 G N -2.233 106.639 108.800 0.120 0.000 2.692 321 G HA2 0.246 4.206 3.960 -0.000 0.000 0.686 321 G HA3 0.246 4.206 3.960 -0.000 0.000 0.686 321 G C 0.789 175.787 174.900 0.165 0.000 1.243 321 G CA -0.334 44.849 45.100 0.139 0.000 0.782 321 G HN 1.371 nan 8.290 nan 0.000 0.625 322 A N 0.249 123.152 122.820 0.138 0.000 1.978 322 A HA 0.133 4.453 4.320 -0.000 0.000 0.220 322 A C 2.637 180.294 177.584 0.121 0.000 1.170 322 A CA 3.256 55.360 52.037 0.111 0.000 0.636 322 A CB -0.299 18.742 19.000 0.068 0.000 0.810 322 A HN 1.604 nan 8.150 nan 0.000 0.448 323 V N -1.236 118.719 119.914 0.069 0.000 2.331 323 V HA -0.166 3.953 4.120 -0.000 0.000 0.242 323 V C 2.196 178.290 176.094 0.000 0.000 1.034 323 V CA 2.100 64.402 62.300 0.004 0.000 1.027 323 V CB -0.931 30.789 31.823 -0.171 0.000 0.667 323 V HN 0.739 nan 8.190 nan 0.000 0.457 324 H N -0.321 118.828 119.070 0.131 0.000 2.502 324 H HA -0.004 4.551 4.556 -0.000 0.000 0.283 324 H C 2.249 177.571 175.328 -0.010 0.000 1.015 324 H CA 0.908 56.983 56.048 0.044 0.000 1.298 324 H CB 0.073 29.843 29.762 0.014 0.000 1.411 324 H HN 0.313 nan 8.280 nan 0.000 0.556 325 N N 0.020 118.798 118.700 0.130 0.000 2.043 325 N HA -0.135 4.604 4.740 -0.000 0.000 0.193 325 N C 1.808 177.322 175.510 0.007 0.000 1.037 325 N CA 1.962 55.037 53.050 0.041 0.000 0.851 325 N CB -0.630 37.905 38.487 0.080 0.000 1.027 325 N HN 0.311 nan 8.380 nan 0.000 0.422 326 T N 1.073 115.703 114.554 0.127 0.000 2.699 326 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 326 T C 1.845 176.399 174.700 -0.244 0.000 1.036 326 T CA 1.393 63.560 62.100 0.112 0.000 1.147 326 T CB -0.323 68.760 68.868 0.359 0.000 0.862 326 T HN 0.372 nan 8.240 nan 0.000 0.446 327 Q N 0.421 119.931 119.800 -0.483 0.000 2.030 327 Q HA -0.108 4.231 4.340 -0.000 0.000 0.204 327 Q C 2.374 178.066 176.000 -0.512 0.000 0.986 327 Q CA 1.442 56.616 55.803 -1.048 0.000 0.843 327 Q CB -0.358 28.098 28.738 -0.469 0.000 0.904 327 Q HN 0.511 nan 8.270 nan 0.000 0.420 328 L N 0.317 121.393 121.223 -0.245 0.000 2.042 328 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 328 L C 2.324 179.102 176.870 -0.155 0.000 1.076 328 L CA 1.069 55.809 54.840 -0.166 0.000 0.749 328 L CB -0.155 41.832 42.059 -0.120 0.000 0.893 328 L HN 0.357 nan 8.230 nan 0.000 0.432 329 L N -1.480 119.641 121.223 -0.169 0.000 2.046 329 L HA -0.219 4.120 4.340 -0.000 0.000 0.208 329 L C 2.429 179.322 176.870 0.038 0.000 1.077 329 L CA 0.901 55.671 54.840 -0.118 0.000 0.747 329 L CB -0.487 41.418 42.059 -0.257 0.000 0.896 329 L HN 0.097 nan 8.230 nan 0.000 0.432 330 V N -0.038 119.837 119.914 -0.064 0.000 2.427 330 V HA -0.263 3.856 4.120 -0.000 0.000 0.248 330 V C 2.134 178.210 176.094 -0.030 0.000 1.051 330 V CA 1.925 64.219 62.300 -0.011 0.000 1.048 330 V CB -0.668 31.136 31.823 -0.032 0.000 0.666 330 V HN 0.487 nan 8.190 nan 0.000 0.456 331 N N -0.001 118.635 118.700 -0.106 0.000 2.443 331 N HA -0.110 4.630 4.740 -0.000 0.000 0.184 331 N C 1.595 177.078 175.510 -0.045 0.000 1.037 331 N CA 1.220 54.227 53.050 -0.072 0.000 0.896 331 N CB -0.072 38.355 38.487 -0.100 0.000 0.959 331 N HN 0.361 nan 8.380 nan 0.000 0.442 332 S N -1.539 114.154 115.700 -0.011 0.000 2.556 332 S HA 0.313 4.783 4.470 -0.000 0.000 0.216 332 S C 1.011 175.578 174.600 -0.056 0.000 0.970 332 S CA 0.320 58.515 58.200 -0.009 0.000 0.912 332 S CB 0.381 63.626 63.200 0.074 0.000 0.790 332 S HN 0.571 nan 8.310 nan 0.000 0.504 333 G N 0.982 109.758 108.800 -0.041 0.000 2.141 333 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.231 333 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.231 333 G C -0.051 174.736 174.900 -0.189 0.000 0.984 333 G CA -0.451 44.575 45.100 -0.123 0.000 0.660 333 G HN 0.418 nan 8.290 nan 0.000 0.525 334 F N 0.699 120.612 119.950 -0.062 0.000 2.370 334 F HA 0.572 5.098 4.527 -0.000 0.000 0.324 334 F C 1.599 177.406 175.800 0.012 0.000 1.116 334 F CA 0.910 58.889 58.000 -0.035 0.000 1.123 334 F CB 0.996 39.946 39.000 -0.083 0.000 1.238 334 F HN 0.773 nan 8.300 nan 0.000 0.536 335 G N 1.598 110.542 108.800 0.241 0.000 2.564 335 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.273 335 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.273 335 G C -0.773 174.205 174.900 0.129 0.000 1.242 335 G CA 0.089 45.298 45.100 0.182 0.000 0.951 335 G HN 0.851 nan 8.290 nan 0.000 0.564 336 Q N -0.992 118.889 119.800 0.135 0.000 2.285 336 Q HA 0.615 4.955 4.340 -0.000 0.000 0.269 336 Q C -0.927 175.154 176.000 0.135 0.000 1.030 336 Q CA -1.015 54.847 55.803 0.099 0.000 0.788 336 Q CB 1.692 30.466 28.738 0.060 0.000 1.266 336 Q HN 0.898 nan 8.270 nan 0.000 0.438 337 L N 3.764 125.055 121.223 0.112 0.000 2.397 337 L HA 0.735 5.075 4.340 -0.000 0.000 0.271 337 L C 0.349 177.302 176.870 0.139 0.000 1.148 337 L CA 1.986 56.917 54.840 0.152 0.000 0.825 337 L CB 0.889 43.013 42.059 0.108 0.000 1.117 337 L HN 0.857 nan 8.230 nan 0.000 0.456 338 G N 3.712 112.654 108.800 0.236 0.000 2.757 338 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.638 338 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.638 338 G C -0.431 174.405 174.900 -0.106 0.000 1.344 338 G CA -0.254 44.955 45.100 0.180 0.000 0.855 338 G HN 0.931 nan 8.290 nan 0.000 0.537 339 R N 0.707 120.906 120.500 -0.502 0.000 2.537 339 R HA 0.264 4.604 4.340 -0.000 0.000 0.281 339 R C -1.802 174.069 176.300 -0.715 0.000 0.988 339 R CA -0.260 55.112 56.100 -1.214 0.000 1.077 339 R CB -0.026 29.851 30.300 -0.705 0.000 0.932 339 R HN 0.364 nan 8.270 nan 0.000 0.409 340 P HA 0.021 nan 4.420 nan 0.000 0.268 340 P C -1.379 175.759 177.300 -0.270 0.000 1.204 340 P CA 0.084 62.941 63.100 -0.405 0.000 0.768 340 P CB 0.551 32.030 31.700 -0.369 0.000 0.842 341 N N 2.752 121.352 118.700 -0.167 0.000 2.397 341 N HA 0.264 5.003 4.740 -0.000 0.000 0.291 341 N C -2.719 172.746 175.510 -0.075 0.000 1.065 341 N CA -2.125 50.856 53.050 -0.115 0.000 0.884 341 N CB 1.466 39.894 38.487 -0.098 0.000 1.551 341 N HN -0.020 nan 8.380 nan 0.000 0.487 342 P HA -0.088 nan 4.420 nan 0.000 0.219 342 P C 1.523 178.805 177.300 -0.029 0.000 1.150 342 P CA 1.636 64.712 63.100 -0.040 0.000 0.814 342 P CB 0.109 31.787 31.700 -0.037 0.000 0.787 343 T N -2.972 111.563 114.554 -0.032 0.000 2.778 343 T HA -0.176 4.174 4.350 -0.000 0.000 0.269 343 T C 0.697 175.385 174.700 -0.019 0.000 1.050 343 T CA 1.291 63.377 62.100 -0.024 0.000 1.137 343 T CB -1.173 67.680 68.868 -0.025 0.000 0.860 343 T HN 0.126 nan 8.240 nan 0.000 0.468 344 N N 2.730 121.417 118.700 -0.022 0.000 2.804 344 N HA 0.373 5.113 4.740 -0.000 0.000 0.251 344 N C -3.006 172.497 175.510 -0.011 0.000 1.250 344 N CA -1.490 51.550 53.050 -0.015 0.000 0.820 344 N CB 1.865 40.342 38.487 -0.017 0.000 1.156 344 N HN 0.392 nan 8.380 nan 0.000 0.512 345 P HA 0.244 nan 4.420 nan 0.000 0.274 345 P C -2.578 174.730 177.300 0.014 0.000 1.231 345 P CA -1.020 62.083 63.100 0.006 0.000 0.790 345 P CB 0.213 31.919 31.700 0.011 0.000 0.951 346 P HA 0.110 nan 4.420 nan 0.000 0.271 346 P C 1.014 178.334 177.300 0.033 0.000 1.218 346 P CA -0.084 63.036 63.100 0.034 0.000 0.780 346 P CB 0.630 32.366 31.700 0.061 0.000 0.901 347 E N 2.299 122.510 120.200 0.019 0.000 2.058 347 E HA -0.128 4.221 4.350 -0.000 0.000 0.194 347 E C -0.209 176.416 176.600 0.040 0.000 0.997 347 E CA 1.020 57.429 56.400 0.016 0.000 0.801 347 E CB -0.022 29.673 29.700 -0.008 0.000 0.746 347 E HN 0.379 nan 8.360 nan 0.000 0.450 348 L N 0.854 122.109 121.223 0.053 0.000 2.346 348 L HA 0.298 4.638 4.340 -0.000 0.000 0.274 348 L C -0.027 176.960 176.870 0.195 0.000 1.007 348 L CA -0.963 53.950 54.840 0.123 0.000 0.818 348 L CB 1.877 43.977 42.059 0.069 0.000 1.284 348 L HN 0.167 nan 8.230 nan 0.000 0.424 349 L N 2.796 124.163 121.223 0.240 0.000 3.795 349 L HA -0.181 4.159 4.340 -0.000 0.000 0.489 349 L C -1.377 175.606 176.870 0.187 0.000 1.259 349 L CA -0.454 54.530 54.840 0.241 0.000 0.765 349 L CB -0.887 41.353 42.059 0.302 0.000 1.519 349 L HN 0.608 nan 8.230 nan 0.000 0.842 350 P HA -0.125 nan 4.420 nan 0.000 0.221 350 P C 1.282 178.674 177.300 0.153 0.000 1.145 350 P CA 1.109 64.284 63.100 0.125 0.000 0.795 350 P CB 0.288 32.043 31.700 0.092 0.000 0.775 351 S N -0.692 115.122 115.700 0.189 0.000 2.558 351 S HA 0.050 4.520 4.470 -0.000 0.000 0.217 351 S C 0.837 175.591 174.600 0.257 0.000 0.975 351 S CA -0.411 57.946 58.200 0.263 0.000 0.912 351 S CB -0.740 62.634 63.200 0.291 0.000 0.776 351 S HN 0.073 nan 8.310 nan 0.000 0.526 352 L N 2.672 124.027 121.223 0.219 0.000 2.628 352 L HA 0.285 4.625 4.340 -0.000 0.000 0.274 352 L C 1.169 178.172 176.870 0.221 0.000 1.209 352 L CA 1.203 56.174 54.840 0.218 0.000 0.930 352 L CB -0.646 41.535 42.059 0.202 0.000 1.183 352 L HN 0.360 nan 8.230 nan 0.000 0.492 353 G N 2.267 111.202 108.800 0.225 0.000 2.159 353 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.256 353 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.256 353 G C 0.442 175.443 174.900 0.170 0.000 0.977 353 G CA 0.268 45.494 45.100 0.210 0.000 0.652 353 G HN 0.827 nan 8.290 nan 0.000 0.531 354 S N -1.507 114.292 115.700 0.165 0.000 2.704 354 S HA 0.651 5.121 4.470 -0.000 0.000 0.305 354 S C 0.420 175.110 174.600 0.151 0.000 1.107 354 S CA 0.113 58.330 58.200 0.028 0.000 0.993 354 S CB 0.859 63.970 63.200 -0.149 0.000 1.110 354 S HN 0.947 nan 8.310 nan 0.000 0.534 355 Y N -1.030 119.335 120.300 0.108 0.000 4.409 355 Y HA -0.206 4.344 4.550 -0.000 0.000 0.228 355 Y C 0.514 176.491 175.900 0.129 0.000 1.108 355 Y CA 0.232 58.395 58.100 0.106 0.000 1.955 355 Y CB -2.328 36.190 38.460 0.096 0.000 1.615 355 Y HN 0.616 nan 8.280 nan 0.000 0.665 356 I N 0.180 120.895 120.570 0.241 0.000 2.692 356 I HA 0.456 4.625 4.170 -0.000 0.000 0.284 356 I C 0.671 176.951 176.117 0.270 0.000 1.159 356 I CA 0.518 61.957 61.300 0.230 0.000 1.423 356 I CB 1.229 39.357 38.000 0.214 0.000 1.380 356 I HN 0.224 nan 8.210 nan 0.000 0.580 357 T N 1.951 116.625 114.554 0.200 0.000 2.893 357 T HA 0.704 5.053 4.350 -0.000 0.000 0.291 357 T C -0.704 174.015 174.700 0.031 0.000 1.028 357 T CA -0.705 61.507 62.100 0.186 0.000 0.995 357 T CB 2.147 71.077 68.868 0.104 0.000 1.051 357 T HN 0.848 nan 8.240 nan 0.000 0.470 358 E N 0.892 121.086 120.200 -0.010 0.000 2.356 358 E HA 0.374 4.724 4.350 -0.000 0.000 0.275 358 E C -1.154 175.535 176.600 0.149 0.000 0.904 358 E CA -0.582 55.769 56.400 -0.081 0.000 0.757 358 E CB 2.021 31.463 29.700 -0.430 0.000 1.232 358 E HN 0.727 nan 8.360 nan 0.000 0.442 359 Q N 0.975 120.877 119.800 0.171 0.000 2.299 359 Q HA 0.490 4.830 4.340 -0.000 0.000 0.246 359 Q C -0.413 175.774 176.000 0.312 0.000 0.935 359 Q CA -0.583 55.375 55.803 0.258 0.000 0.887 359 Q CB 1.290 30.212 28.738 0.306 0.000 1.223 359 Q HN 0.435 nan 8.270 nan 0.000 0.439 360 S N 1.319 117.140 115.700 0.202 0.000 2.564 360 S HA 0.326 4.795 4.470 -0.000 0.000 0.278 360 S C -0.714 173.941 174.600 0.091 0.000 1.333 360 S CA -0.475 57.743 58.200 0.032 0.000 1.048 360 S CB 0.343 63.471 63.200 -0.119 0.000 0.900 360 S HN 0.374 nan 8.310 nan 0.000 0.505 361 L N 4.945 126.192 121.223 0.040 0.000 2.404 361 L HA 0.621 4.961 4.340 -0.000 0.000 0.272 361 L C -0.699 176.061 176.870 -0.183 0.000 0.980 361 L CA -0.615 54.146 54.840 -0.132 0.000 0.836 361 L CB 1.427 43.381 42.059 -0.174 0.000 1.238 361 L HN 0.473 nan 8.230 nan 0.000 0.408 362 V N 2.005 121.727 119.914 -0.321 0.000 2.713 362 V HA 0.745 4.865 4.120 -0.000 0.000 0.307 362 V C -0.778 175.213 176.094 -0.171 0.000 1.052 362 V CA -0.676 61.357 62.300 -0.444 0.000 0.967 362 V CB 1.644 33.013 31.823 -0.757 0.000 1.019 362 V HN 0.779 nan 8.190 nan 0.000 0.459 363 F N 3.789 123.553 119.950 -0.311 0.000 2.628 363 F HA 0.818 5.345 4.527 -0.000 0.000 0.309 363 F C -0.465 175.236 175.800 -0.165 0.000 1.108 363 F CA -0.243 57.661 58.000 -0.159 0.000 0.971 363 F CB 1.351 40.294 39.000 -0.095 0.000 1.279 363 F HN 1.216 nan 8.300 nan 0.000 0.441 364 C N 2.859 121.586 119.300 -0.956 0.000 3.314 364 C HA 0.822 5.281 4.460 -0.000 0.000 0.344 364 C C -1.801 172.723 174.990 -0.777 0.000 1.461 364 C CA -0.625 57.835 59.018 -0.931 0.000 1.249 364 C CB 1.705 29.113 27.740 -0.553 0.000 1.632 364 C HN 0.985 nan 8.230 nan 0.000 0.452 365 Q N 0.528 120.095 119.800 -0.389 0.000 2.413 365 Q HA 0.760 5.100 4.340 -0.000 0.000 0.276 365 Q C -0.594 175.470 176.000 0.107 0.000 1.099 365 Q CA -0.233 55.544 55.803 -0.043 0.000 0.814 365 Q CB 2.765 31.449 28.738 -0.089 0.000 1.379 365 Q HN 0.942 nan 8.270 nan 0.000 0.436 366 T N -2.246 112.446 114.554 0.231 0.000 2.924 366 T HA 0.773 5.122 4.350 -0.000 0.000 0.291 366 T C -0.178 174.586 174.700 0.107 0.000 1.045 366 T CA -0.623 61.573 62.100 0.160 0.000 1.015 366 T CB 1.243 70.242 68.868 0.218 0.000 1.103 366 T HN 0.277 nan 8.240 nan 0.000 0.496 370 T N 1.605 116.160 114.554 0.002 0.000 2.653 370 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 370 T C 1.511 176.221 174.700 0.016 0.000 1.035 370 T CA 2.081 64.187 62.100 0.009 0.000 1.154 370 T CB -0.695 68.174 68.868 0.002 0.000 0.862 370 T HN 0.764 nan 8.240 nan 0.000 0.441 371 E N 0.354 120.560 120.200 0.009 0.000 2.065 371 E HA -0.155 4.194 4.350 -0.000 0.000 0.201 371 E C 2.198 178.817 176.600 0.032 0.000 1.016 371 E CA 1.202 57.610 56.400 0.013 0.000 0.818 371 E CB -0.235 29.466 29.700 0.001 0.000 0.749 371 E HN 0.443 nan 8.360 nan 0.000 0.453 372 L N 0.389 121.634 121.223 0.038 0.000 2.072 372 L HA -0.183 4.156 4.340 -0.000 0.000 0.205 372 L C 2.413 179.329 176.870 0.077 0.000 1.079 372 L CA 0.284 55.162 54.840 0.063 0.000 0.752 372 L CB -0.257 41.840 42.059 0.062 0.000 0.906 372 L HN 0.237 nan 8.230 nan 0.000 0.436 373 I N 0.100 120.703 120.570 0.054 0.000 2.127 373 I HA -0.314 3.856 4.170 -0.000 0.000 0.241 373 I C 2.220 178.376 176.117 0.064 0.000 1.075 373 I CA 1.567 62.897 61.300 0.050 0.000 1.334 373 I CB -1.177 36.843 38.000 0.034 0.000 1.040 373 I HN 0.284 nan 8.210 nan 0.000 0.405 374 D N 0.480 120.914 120.400 0.057 0.000 2.182 374 D HA -0.146 4.494 4.640 -0.000 0.000 0.201 374 D C 2.355 178.707 176.300 0.086 0.000 0.986 374 D CA 1.659 55.695 54.000 0.061 0.000 0.847 374 D CB -0.056 40.770 40.800 0.043 0.000 0.942 374 D HN 0.407 nan 8.370 nan 0.000 0.467 375 S N -0.128 115.634 115.700 0.105 0.000 2.428 375 S HA -0.085 4.385 4.470 -0.000 0.000 0.230 375 S C 2.164 176.929 174.600 0.276 0.000 1.014 375 S CA 0.542 58.833 58.200 0.153 0.000 0.957 375 S CB -0.345 62.934 63.200 0.132 0.000 0.784 375 S HN 0.060 nan 8.310 nan 0.000 0.499 376 V N 2.895 122.948 119.914 0.232 0.000 2.453 376 V HA -0.183 3.937 4.120 -0.000 0.000 0.252 376 V C 2.192 178.428 176.094 0.236 0.000 1.068 376 V CA 2.220 64.679 62.300 0.264 0.000 1.070 376 V CB -0.836 31.055 31.823 0.112 0.000 0.664 376 V HN 0.848 nan 8.190 nan 0.000 0.461 377 K N -0.029 120.469 120.400 0.163 0.000 2.514 377 K HA 0.185 4.505 4.320 -0.000 0.000 0.207 377 K C 1.459 178.125 176.600 0.110 0.000 1.035 377 K CA 0.645 57.008 56.287 0.126 0.000 1.113 377 K CB 0.265 32.821 32.500 0.093 0.000 0.846 377 K HN 0.406 nan 8.250 nan 0.000 0.491 378 S N -0.190 115.588 115.700 0.131 0.000 2.447 378 S HA -0.075 4.394 4.470 -0.000 0.000 0.233 378 S C 0.455 175.076 174.600 0.034 0.000 1.006 378 S CA 0.466 58.705 58.200 0.065 0.000 0.957 378 S CB -0.311 62.908 63.200 0.030 0.000 0.773 378 S HN 0.291 nan 8.310 nan 0.000 0.507 382 I N 3.062 123.615 120.570 -0.029 0.000 2.389 382 I HA 0.527 4.697 4.170 -0.000 0.000 0.288 382 I C 0.126 176.210 176.117 -0.055 0.000 0.999 382 I CA -0.518 60.737 61.300 -0.074 0.000 1.129 382 I CB 1.450 39.446 38.000 -0.008 0.000 1.288 382 I HN 0.293 nan 8.210 nan 0.000 0.444 383 R N 4.396 124.830 120.500 -0.109 0.000 2.562 383 R HA 0.785 5.125 4.340 -0.000 0.000 0.298 383 R C 0.120 176.426 176.300 0.011 0.000 0.961 383 R CA -0.664 55.411 56.100 -0.042 0.000 0.881 383 R CB 1.939 32.208 30.300 -0.050 0.000 1.159 383 R HN 0.862 nan 8.270 nan 0.000 0.450 384 G N 1.373 110.224 108.800 0.084 0.000 2.741 384 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.222 384 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.222 384 G C -0.673 174.394 174.900 0.278 0.000 1.364 384 G CA -0.580 44.614 45.100 0.156 0.000 0.866 384 G HN 0.564 nan 8.290 nan 0.000 0.555 385 T N 1.266 115.950 114.554 0.217 0.000 2.829 385 T HA 0.643 4.993 4.350 -0.000 0.000 0.282 385 T C -2.542 172.041 174.700 -0.194 0.000 0.990 385 T CA -1.172 60.977 62.100 0.082 0.000 1.028 385 T CB 1.991 70.864 68.868 0.007 0.000 0.951 385 T HN 0.536 nan 8.240 nan 0.000 0.460 386 P HA 0.245 nan 4.420 nan 0.000 0.265 386 P C 1.202 178.212 177.300 -0.482 0.000 1.187 386 P CA 1.022 63.380 63.100 -1.237 0.000 0.766 386 P CB 0.222 31.433 31.700 -0.815 0.000 0.820 387 G N 1.151 109.734 108.800 -0.362 0.000 2.234 387 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.235 387 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.235 387 G C 0.003 174.860 174.900 -0.071 0.000 0.997 387 G CA -0.286 44.723 45.100 -0.151 0.000 0.623 387 G HN 0.560 nan 8.290 nan 0.000 0.514 388 E N -0.052 120.117 120.200 -0.050 0.000 2.283 388 E HA 0.538 4.887 4.350 -0.000 0.000 0.271 388 E C 0.816 177.455 176.600 0.066 0.000 1.031 388 E CA -1.006 55.405 56.400 0.018 0.000 0.868 388 E CB 1.188 30.911 29.700 0.038 0.000 1.094 388 E HN 0.012 nan 8.360 nan 0.000 0.401 389 L N 1.472 122.726 121.223 0.051 0.000 2.456 389 L HA -0.095 4.245 4.340 -0.000 0.000 0.224 389 L C 2.133 179.043 176.870 0.067 0.000 1.148 389 L CA 1.580 56.453 54.840 0.054 0.000 0.825 389 L CB -0.811 41.267 42.059 0.032 0.000 0.937 389 L HN 0.569 nan 8.230 nan 0.000 0.450 390 T N -1.962 112.640 114.554 0.080 0.000 3.100 390 T HA -0.071 4.279 4.350 -0.000 0.000 0.253 390 T C 0.261 175.028 174.700 0.111 0.000 1.118 390 T CA -0.228 61.917 62.100 0.074 0.000 1.058 390 T CB -0.261 68.642 68.868 0.059 0.000 0.953 390 T HN 0.122 nan 8.240 nan 0.000 0.515 391 Y N 2.050 122.350 120.300 -0.001 0.000 2.377 391 Y HA 0.490 5.040 4.550 -0.000 0.000 0.330 391 Y C -0.013 175.887 175.900 0.000 0.000 1.108 391 Y CA -0.782 57.318 58.100 0.000 0.000 1.308 391 Y CB 0.690 39.149 38.460 -0.001 0.000 1.216 391 Y HN -0.020 nan 8.280 nan 0.000 0.518 392 S N 5.665 121.066 115.700 -0.499 0.000 2.736 392 S HA 0.634 5.103 4.470 -0.000 0.000 0.285 392 S C -2.055 172.286 174.600 -0.432 0.000 1.163 392 S CA -0.665 57.331 58.200 -0.341 0.000 1.025 392 S CB 0.393 63.498 63.200 -0.157 0.000 1.030 392 S HN 0.488 nan 8.310 nan 0.000 0.486 393 V N 5.067 124.781 119.914 -0.334 0.000 2.409 393 V HA 0.745 4.865 4.120 -0.000 0.000 0.291 393 V C 0.152 176.209 176.094 -0.061 0.000 1.020 393 V CA -0.434 61.745 62.300 -0.202 0.000 0.848 393 V CB 1.472 33.202 31.823 -0.154 0.000 0.990 393 V HN 0.993 nan 8.190 nan 0.000 0.430 394 T N 1.888 116.434 114.554 -0.014 0.000 2.883 394 T HA 0.877 5.227 4.350 -0.000 0.000 0.296 394 T C -0.973 173.802 174.700 0.124 0.000 1.117 394 T CA -0.784 61.324 62.100 0.013 0.000 1.006 394 T CB 2.282 71.116 68.868 -0.058 0.000 1.191 394 T HN 0.815 nan 8.240 nan 0.000 0.508 395 Y N -1.917 118.373 120.300 -0.016 0.000 2.655 395 Y HA 0.773 5.323 4.550 0.000 0.000 0.336 395 Y C -1.119 174.774 175.900 -0.010 0.000 1.154 395 Y CA -1.220 56.875 58.100 -0.010 0.000 1.055 395 Y CB 1.084 39.546 38.460 0.004 0.000 1.295 395 Y HN 0.615 nan 8.280 nan 0.000 0.465 396 T N 3.961 118.557 114.554 0.070 0.000 2.874 396 T HA 0.398 4.748 4.350 -0.000 0.000 0.321 396 T C -2.879 171.865 174.700 0.073 0.000 1.075 396 T CA -1.410 60.669 62.100 -0.035 0.000 0.966 396 T CB 0.663 69.531 68.868 0.000 0.000 1.001 396 T HN 0.336 nan 8.240 nan 0.000 0.476 397 P HA 0.250 nan 4.420 nan 0.000 0.263 397 P C 1.083 178.432 177.300 0.082 0.000 1.195 397 P CA 0.780 63.962 63.100 0.135 0.000 0.762 397 P CB 0.403 32.131 31.700 0.046 0.000 0.799 398 G N 2.254 111.108 108.800 0.090 0.000 2.176 398 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.253 398 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.253 398 G C 0.418 175.333 174.900 0.024 0.000 0.979 398 G CA -0.054 45.073 45.100 0.046 0.000 0.641 398 G HN 0.848 nan 8.290 nan 0.000 0.530 399 A N 0.429 123.267 122.820 0.029 0.000 2.492 399 A HA 0.706 5.026 4.320 -0.000 0.000 0.254 399 A C 1.528 179.106 177.584 -0.011 0.000 1.091 399 A CA 1.287 53.329 52.037 0.009 0.000 0.768 399 A CB 0.549 19.558 19.000 0.015 0.000 1.028 399 A HN 0.877 nan 8.150 nan 0.000 0.498 400 S N 0.874 116.563 115.700 -0.018 0.000 2.423 400 S HA -0.127 4.342 4.470 -0.000 0.000 0.231 400 S C 2.143 176.714 174.600 -0.048 0.000 1.014 400 S CA 1.893 60.074 58.200 -0.031 0.000 0.965 400 S CB -0.302 62.884 63.200 -0.024 0.000 0.785 400 S HN 1.049 nan 8.310 nan 0.000 0.495 401 T N -0.073 114.455 114.554 -0.044 0.000 3.072 401 T HA 0.073 4.422 4.350 -0.000 0.000 0.266 401 T C 0.618 175.267 174.700 -0.085 0.000 1.127 401 T CA 0.011 62.077 62.100 -0.058 0.000 1.107 401 T CB -0.386 68.456 68.868 -0.042 0.000 0.910 401 T HN 0.074 nan 8.240 nan 0.000 0.513 402 N N 2.161 120.810 118.700 -0.084 0.000 2.407 402 N HA 0.119 4.859 4.740 -0.000 0.000 0.250 402 N C 1.007 176.380 175.510 -0.230 0.000 1.236 402 N CA -0.081 52.892 53.050 -0.129 0.000 0.879 402 N CB 0.805 39.235 38.487 -0.095 0.000 1.088 402 N HN 0.256 nan 8.380 nan 0.000 0.450 403 K N 1.123 121.298 120.400 -0.375 0.000 2.356 403 K HA 0.067 4.386 4.320 -0.000 0.000 0.195 403 K C -0.084 175.995 176.600 -0.869 0.000 1.037 403 K CA 0.680 56.600 56.287 -0.611 0.000 1.014 403 K CB 0.226 32.259 32.500 -0.778 0.000 0.815 403 K HN 0.556 nan 8.250 nan 0.000 0.507 404 H N 0.183 118.942 119.070 -0.519 0.000 2.747 404 H HA 0.349 4.904 4.556 -0.000 0.000 0.371 404 H C -2.436 172.566 175.328 -0.544 0.000 1.161 404 H CA -2.457 53.113 56.048 -0.796 0.000 1.167 404 H CB 1.599 30.484 29.762 -1.462 0.000 1.732 404 H HN -0.183 nan 8.280 nan 0.000 0.544 405 P HA 0.018 nan 4.420 nan 0.000 0.272 405 P C 0.535 177.620 177.300 -0.358 0.000 1.240 405 P CA -0.260 62.640 63.100 -0.334 0.000 0.791 405 P CB 1.128 32.589 31.700 -0.398 0.000 0.978 406 D N 0.258 120.581 120.400 -0.129 0.000 2.123 406 D HA -0.154 4.486 4.640 -0.000 0.000 0.196 406 D C 1.875 178.179 176.300 0.008 0.000 0.992 406 D CA 1.315 55.316 54.000 0.002 0.000 0.833 406 D CB -0.536 40.367 40.800 0.172 0.000 0.954 406 D HN 0.617 nan 8.370 nan 0.000 0.455 407 W N 0.316 121.684 121.300 0.113 0.000 2.350 407 W HA -0.149 4.511 4.660 -0.001 0.000 0.289 407 W C 1.887 178.476 176.519 0.116 0.000 1.215 407 W CA 0.180 57.588 57.345 0.105 0.000 1.236 407 W CB -1.250 28.266 29.460 0.094 0.000 1.130 407 W HN 0.077 nan 8.180 nan 0.000 0.541 408 W N 3.444 124.238 121.300 -0.843 0.000 2.407 408 W HA -0.107 4.553 4.660 -0.001 0.000 0.305 408 W C 1.765 177.998 176.519 -0.476 0.000 1.196 408 W CA 1.433 58.277 57.345 -0.835 0.000 1.311 408 W CB -0.984 27.742 29.460 -1.224 0.000 1.135 408 W HN -0.137 nan 8.180 nan 0.000 0.514 409 N N 1.073 119.673 118.700 -0.167 0.000 2.244 409 N HA -0.179 4.561 4.740 -0.000 0.000 0.183 409 N C 1.480 176.716 175.510 -0.456 0.000 1.016 409 N CA 1.745 54.496 53.050 -0.498 0.000 0.866 409 N CB -0.528 37.201 38.487 -1.264 0.000 0.980 409 N HN 0.244 nan 8.380 nan 0.000 0.430 410 E N 1.424 121.519 120.200 -0.176 0.000 2.072 410 E HA -0.043 4.307 4.350 -0.000 0.000 0.191 410 E C 1.606 178.263 176.600 0.095 0.000 0.985 410 E CA 1.231 57.709 56.400 0.128 0.000 0.801 410 E CB 0.086 29.921 29.700 0.225 0.000 0.750 410 E HN 0.215 nan 8.360 nan 0.000 0.452 411 K N -0.554 119.882 120.400 0.060 0.000 2.057 411 K HA -0.089 4.230 4.320 -0.000 0.000 0.207 411 K C 2.058 178.659 176.600 0.000 0.000 1.049 411 K CA 1.316 57.624 56.287 0.035 0.000 0.931 411 K CB -0.079 32.429 32.500 0.014 0.000 0.714 411 K HN 0.012 nan 8.250 nan 0.000 0.440 412 V N 1.725 121.607 119.914 -0.052 0.000 2.270 412 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 412 V C 2.343 178.477 176.094 0.068 0.000 1.043 412 V CA 1.634 63.923 62.300 -0.018 0.000 1.014 412 V CB -0.405 31.397 31.823 -0.035 0.000 0.645 412 V HN 0.331 nan 8.190 nan 0.000 0.447 413 K N 0.316 120.758 120.400 0.070 0.000 2.020 413 K HA -0.271 4.049 4.320 -0.000 0.000 0.212 413 K C 2.032 178.686 176.600 0.090 0.000 1.050 413 K CA 2.208 58.561 56.287 0.111 0.000 0.929 413 K CB -0.271 32.361 32.500 0.221 0.000 0.714 413 K HN 0.428 nan 8.250 nan 0.000 0.443 414 N N 0.372 119.130 118.700 0.095 0.000 2.166 414 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 414 N C 0.968 176.510 175.510 0.052 0.000 1.019 414 N CA 0.866 53.957 53.050 0.069 0.000 0.856 414 N CB -0.695 37.839 38.487 0.077 0.000 0.993 414 N HN 0.397 nan 8.380 nan 0.000 0.426 419 H N 1.038 120.018 119.070 -0.149 0.000 2.380 419 H HA 0.263 4.819 4.556 -0.000 0.000 0.231 419 H C 0.003 175.238 175.328 -0.154 0.000 1.415 419 H CA -0.066 55.897 56.048 -0.142 0.000 1.433 419 H CB 0.683 30.290 29.762 -0.259 0.000 1.544 419 H HN 0.228 nan 8.280 nan 0.000 0.503 420 Q N 0.452 120.242 119.800 -0.016 0.000 2.297 420 Q HA -0.117 4.223 4.340 -0.000 0.000 0.204 420 Q C 0.872 176.828 176.000 -0.073 0.000 0.962 420 Q CA 1.157 56.913 55.803 -0.078 0.000 0.879 420 Q CB 0.340 28.981 28.738 -0.162 0.000 0.947 420 Q HN 0.495 nan 8.270 nan 0.000 0.462 421 E N 0.727 120.925 120.200 -0.003 0.000 2.502 421 E HA -0.017 4.333 4.350 -0.000 0.000 0.194 421 E C -0.396 176.233 176.600 0.049 0.000 1.062 421 E CA 0.304 56.712 56.400 0.013 0.000 0.867 421 E CB -0.083 29.638 29.700 0.034 0.000 0.888 421 E HN 0.152 nan 8.360 nan 0.000 0.510 422 D N 1.320 121.759 120.400 0.065 0.000 2.249 422 D HA 0.131 4.771 4.640 -0.000 0.000 0.246 422 D C -1.496 174.851 176.300 0.078 0.000 1.114 422 D CA -2.128 51.935 54.000 0.105 0.000 0.854 422 D CB 1.159 42.039 40.800 0.133 0.000 1.132 422 D HN -0.151 nan 8.370 nan 0.000 0.461 423 P HA 0.113 nan 4.420 nan 0.000 0.249 423 P C -0.387 176.960 177.300 0.078 0.000 1.229 423 P CA 0.161 63.302 63.100 0.067 0.000 0.788 423 P CB 0.295 32.028 31.700 0.054 0.000 1.072 424 L N 1.692 122.978 121.223 0.105 0.000 2.346 424 L HA 0.383 4.723 4.340 -0.000 0.000 0.274 424 L C -1.522 175.407 176.870 0.099 0.000 1.007 424 L CA -2.255 52.632 54.840 0.078 0.000 0.818 424 L CB 2.780 44.866 42.059 0.045 0.000 1.284 424 L HN -0.314 nan 8.230 nan 0.000 0.424 425 P HA 0.085 nan 4.420 nan 0.000 0.249 425 P C 0.191 177.395 177.300 -0.159 0.000 1.229 425 P CA 0.504 63.628 63.100 0.040 0.000 0.788 425 P CB 0.286 32.009 31.700 0.038 0.000 1.072 426 I N 2.024 122.419 120.570 -0.292 0.000 2.371 426 I HA 0.216 4.386 4.170 -0.000 0.000 0.290 426 I C -2.146 173.499 176.117 -0.786 0.000 1.028 426 I CA -2.746 58.305 61.300 -0.415 0.000 1.345 426 I CB 0.591 38.436 38.000 -0.257 0.000 1.407 426 I HN -0.254 nan 8.210 nan 0.000 0.501 427 P HA -0.002 nan 4.420 nan 0.000 0.267 427 P C 0.336 177.398 177.300 -0.398 0.000 1.200 427 P CA -0.012 62.675 63.100 -0.688 0.000 0.772 427 P CB 0.343 31.902 31.700 -0.235 0.000 0.855 428 F N 0.853 120.705 119.950 -0.165 0.000 2.161 428 F HA -0.139 4.387 4.527 -0.000 0.000 0.300 428 F C 1.880 177.657 175.800 -0.038 0.000 1.089 428 F CA 1.612 59.567 58.000 -0.075 0.000 1.282 428 F CB -1.024 37.951 39.000 -0.042 0.000 1.010 428 F HN 0.430 nan 8.300 nan 0.000 0.485 429 E N -0.531 119.772 120.200 0.170 0.000 2.465 429 E HA -0.041 4.308 4.350 -0.000 0.000 0.191 429 E C -0.100 176.530 176.600 0.050 0.000 1.053 429 E CA -0.221 56.243 56.400 0.105 0.000 0.869 429 E CB -0.157 29.604 29.700 0.102 0.000 0.977 429 E HN 0.138 nan 8.360 nan 0.000 0.483 430 D N 2.087 122.496 120.400 0.015 0.000 2.451 430 D HA -0.006 4.634 4.640 -0.000 0.000 0.254 430 D C -2.329 173.996 176.300 0.040 0.000 1.204 430 D CA -1.444 52.551 54.000 -0.008 0.000 0.896 430 D CB 0.697 41.455 40.800 -0.071 0.000 1.136 430 D HN -0.116 nan 8.370 nan 0.000 0.499 431 P HA 0.019 nan 4.420 nan 0.000 0.268 431 P C -0.266 177.158 177.300 0.206 0.000 1.208 431 P CA -0.192 63.003 63.100 0.158 0.000 0.777 431 P CB 0.353 32.142 31.700 0.148 0.000 0.875 432 E N 3.819 124.159 120.200 0.234 0.000 2.408 432 E HA 0.109 4.459 4.350 -0.000 0.000 0.259 432 E C -2.353 174.300 176.600 0.090 0.000 1.110 432 E CA -1.767 54.706 56.400 0.122 0.000 0.929 432 E CB -0.794 28.947 29.700 0.069 0.000 0.971 432 E HN 0.267 nan 8.360 nan 0.000 0.438 433 P HA 0.046 nan 4.420 nan 0.000 0.271 433 P C -0.526 176.789 177.300 0.024 0.000 1.218 433 P CA 0.019 63.187 63.100 0.112 0.000 0.780 433 P CB 0.495 32.212 31.700 0.028 0.000 0.901 434 Q N 1.439 121.348 119.800 0.182 0.000 3.230 434 Q HA 0.310 4.650 4.340 -0.000 0.000 0.303 434 Q C -0.819 175.270 176.000 0.147 0.000 0.884 434 Q CA -0.423 55.374 55.803 -0.011 0.000 0.859 434 Q CB 1.181 29.684 28.738 -0.392 0.000 1.432 434 Q HN 0.204 nan 8.270 nan 0.000 0.403 435 V N 0.619 120.565 119.914 0.054 0.000 2.547 435 V HA 0.722 4.841 4.120 -0.000 0.000 0.299 435 V C 0.235 176.332 176.094 0.005 0.000 1.040 435 V CA -0.450 61.875 62.300 0.041 0.000 0.913 435 V CB 1.985 33.778 31.823 -0.049 0.000 0.992 435 V HN 0.441 nan 8.190 nan 0.000 0.449 436 T N 1.734 116.317 114.554 0.049 0.000 2.916 436 T HA 0.461 4.811 4.350 -0.000 0.000 0.305 436 T C -0.832 173.795 174.700 -0.121 0.000 1.119 436 T CA -0.323 61.743 62.100 -0.057 0.000 1.008 436 T CB 1.822 70.637 68.868 -0.089 0.000 1.129 436 T HN 0.823 nan 8.240 nan 0.000 0.480 437 T N 5.127 119.466 114.554 -0.359 0.000 2.756 437 T HA 0.565 4.915 4.350 -0.000 0.000 0.290 437 T C 0.129 174.676 174.700 -0.255 0.000 0.985 437 T CA -0.610 61.129 62.100 -0.602 0.000 0.955 437 T CB -0.228 67.858 68.868 -1.303 0.000 0.930 437 T HN 0.539 nan 8.240 nan 0.000 0.451 438 L N 4.697 125.851 121.223 -0.115 0.000 2.483 438 L HA 0.309 4.649 4.340 -0.000 0.000 0.275 438 L C 0.838 177.738 176.870 0.049 0.000 1.220 438 L CA -0.663 54.196 54.840 0.032 0.000 0.833 438 L CB 0.240 42.319 42.059 0.035 0.000 1.102 438 L HN 0.665 nan 8.230 nan 0.000 0.490 439 F N 2.926 122.819 119.950 -0.095 0.000 2.623 439 F HA -0.054 4.473 4.527 -0.000 0.000 0.386 439 F C 0.258 175.821 175.800 -0.395 0.000 1.068 439 F CA 0.270 58.123 58.000 -0.246 0.000 1.265 439 F CB 0.225 39.129 39.000 -0.160 0.000 1.026 439 F HN 0.426 nan 8.300 nan 0.000 0.568 440 Q N 6.631 125.921 119.800 -0.851 0.000 2.416 440 Q HA 0.237 4.577 4.340 -0.000 0.000 0.281 440 Q C -1.993 173.527 176.000 -0.801 0.000 1.067 440 Q CA -1.849 53.544 55.803 -0.682 0.000 0.809 440 Q CB 1.533 29.804 28.738 -0.779 0.000 1.418 440 Q HN 0.304 nan 8.270 nan 0.000 0.411 441 P HA -0.250 nan 4.420 nan 0.000 0.218 441 P C 1.253 178.329 177.300 -0.373 0.000 1.154 441 P CA 2.387 65.306 63.100 -0.301 0.000 0.872 441 P CB 0.228 31.846 31.700 -0.138 0.000 0.790 442 S N -1.537 113.953 115.700 -0.349 0.000 2.428 442 S HA -0.142 4.328 4.470 -0.000 0.000 0.230 442 S C 0.724 175.120 174.600 -0.340 0.000 1.014 442 S CA 0.645 58.707 58.200 -0.231 0.000 0.957 442 S CB -1.294 61.878 63.200 -0.048 0.000 0.784 442 S HN 0.446 nan 8.310 nan 0.000 0.499 443 H N -0.924 117.732 119.070 -0.689 0.000 2.488 443 H HA 0.530 5.086 4.556 -0.000 0.000 0.237 443 H C -3.219 171.010 175.328 -1.832 0.000 1.395 443 H CA -2.128 53.162 56.048 -1.264 0.000 1.491 443 H CB 0.564 29.866 29.762 -0.766 0.000 1.567 443 H HN 0.094 nan 8.280 nan 0.000 0.508 444 P HA 0.099 nan 4.420 nan 0.000 0.220 444 P C -1.313 175.372 177.300 -1.026 0.000 1.806 444 P CA 0.111 62.079 63.100 -1.888 0.000 0.976 444 P CB -1.035 30.063 31.700 -1.003 0.000 1.952 445 W N -0.189 120.838 121.300 -0.454 0.000 3.167 445 W HA 0.524 5.184 4.660 -0.000 0.000 0.324 445 W C -0.821 175.781 176.519 0.138 0.000 1.230 445 W CA -1.313 56.059 57.345 0.044 0.000 1.184 445 W CB 0.080 29.596 29.460 0.094 0.000 1.414 445 W HN 0.029 nan 8.180 nan 0.000 0.551 446 H N 1.145 120.468 119.070 0.422 0.000 2.511 446 H HA 0.651 5.207 4.556 -0.000 0.000 0.346 446 H C -0.134 175.315 175.328 0.201 0.000 1.128 446 H CA 0.450 56.646 56.048 0.246 0.000 1.342 446 H CB 1.371 31.223 29.762 0.150 0.000 1.470 446 H HN 0.556 nan 8.280 nan 0.000 0.546 447 T N 2.421 116.629 114.554 -0.577 0.000 2.861 447 T HA 0.443 4.792 4.350 -0.000 0.000 0.287 447 T C -0.681 173.697 174.700 -0.537 0.000 1.003 447 T CA -1.136 60.617 62.100 -0.577 0.000 0.977 447 T CB 1.529 69.953 68.868 -0.740 0.000 0.996 447 T HN 0.685 nan 8.240 nan 0.000 0.448 448 Q N 2.210 121.883 119.800 -0.211 0.000 2.310 448 Q HA 0.542 4.882 4.340 -0.000 0.000 0.270 448 Q C -1.077 174.807 176.000 -0.192 0.000 1.025 448 Q CA -0.611 55.018 55.803 -0.290 0.000 0.772 448 Q CB 2.311 30.788 28.738 -0.434 0.000 1.253 448 Q HN 0.701 nan 8.270 nan 0.000 0.450 449 I N 3.938 124.379 120.570 -0.215 0.000 2.405 449 I HA 0.377 4.547 4.170 -0.000 0.000 0.280 449 I C -0.322 175.720 176.117 -0.125 0.000 1.027 449 I CA -0.263 60.838 61.300 -0.332 0.000 1.161 449 I CB 0.389 38.077 38.000 -0.519 0.000 1.300 449 I HN 0.736 nan 8.210 nan 0.000 0.463 450 H N 3.947 122.863 119.070 -0.256 0.000 2.863 450 H HA 0.597 5.153 4.556 -0.000 0.000 0.274 450 H C -1.295 173.987 175.328 -0.078 0.000 1.457 450 H CA -1.358 54.606 56.048 -0.140 0.000 1.151 450 H CB 1.302 31.005 29.762 -0.098 0.000 1.844 450 H HN 0.147 nan 8.280 nan 0.000 0.562 451 R N 1.332 121.666 120.500 -0.277 0.000 2.388 451 R HA 0.264 4.604 4.340 -0.000 0.000 0.314 451 R C -1.484 174.609 176.300 -0.345 0.000 0.959 451 R CA -0.707 55.229 56.100 -0.274 0.000 0.851 451 R CB 1.363 31.630 30.300 -0.054 0.000 1.168 451 R HN 0.682 nan 8.270 nan 0.000 0.472 452 D N 0.935 121.098 120.400 -0.395 0.000 2.225 452 D HA 0.367 5.007 4.640 -0.000 0.000 0.249 452 D C 1.108 177.483 176.300 0.126 0.000 1.052 452 D CA -0.097 53.793 54.000 -0.182 0.000 0.909 452 D CB 1.670 42.412 40.800 -0.097 0.000 1.186 452 D HN 0.500 nan 8.370 nan 0.000 0.431 453 A N 3.474 126.371 122.820 0.129 0.000 1.851 453 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 453 A C 1.128 178.911 177.584 0.331 0.000 1.195 453 A CA 0.802 52.969 52.037 0.217 0.000 0.622 453 A CB -0.918 18.230 19.000 0.247 0.000 0.831 453 A HN 0.656 nan 8.150 nan 0.000 0.444 454 F N 0.656 120.677 119.950 0.118 0.000 2.657 454 F HA 0.179 4.705 4.527 -0.000 0.000 0.347 454 F C 1.355 177.194 175.800 0.064 0.000 1.180 454 F CA 1.428 59.459 58.000 0.053 0.000 1.383 454 F CB 0.265 39.254 39.000 -0.018 0.000 1.077 454 F HN 0.421 nan 8.300 nan 0.000 0.622 455 S N 3.165 118.603 115.700 -0.437 0.000 3.368 455 S HA -0.259 4.210 4.470 -0.000 0.000 0.470 455 S C -1.295 173.256 174.600 -0.082 0.000 0.774 455 S CA 0.217 58.258 58.200 -0.265 0.000 1.368 455 S CB -1.453 61.610 63.200 -0.228 0.000 0.978 455 S HN 0.649 nan 8.310 nan 0.000 0.717 456 Y N 2.137 122.347 120.300 -0.149 0.000 2.346 456 Y HA 0.632 5.182 4.550 -0.000 0.000 0.332 456 Y C 0.838 176.700 175.900 -0.062 0.000 0.985 456 Y CA 0.242 58.304 58.100 -0.064 0.000 1.112 456 Y CB 2.125 40.558 38.460 -0.045 0.000 1.170 456 Y HN 0.697 nan 8.280 nan 0.000 0.447 457 G N 0.619 109.441 108.800 0.037 0.000 3.016 457 G HA2 0.639 4.598 3.960 -0.000 0.000 0.270 457 G HA3 0.639 4.598 3.960 -0.000 0.000 0.270 457 G C -0.440 174.485 174.900 0.041 0.000 1.352 457 G CA -0.395 44.717 45.100 0.021 0.000 1.060 457 G HN 0.707 nan 8.290 nan 0.000 0.538 458 A N -1.424 121.411 122.820 0.024 0.000 2.704 458 A HA 0.418 4.738 4.320 -0.000 0.000 0.260 458 A C 1.437 179.032 177.584 0.017 0.000 1.144 458 A CA 0.937 52.990 52.037 0.027 0.000 0.985 458 A CB 0.013 19.029 19.000 0.025 0.000 1.256 458 A HN 1.223 nan 8.150 nan 0.000 0.598 459 V N -1.560 118.361 119.914 0.011 0.000 2.825 459 V HA -0.024 4.096 4.120 -0.000 0.000 0.246 459 V C 1.651 177.750 176.094 0.009 0.000 1.068 459 V CA 1.529 63.834 62.300 0.008 0.000 1.088 459 V CB -0.747 31.078 31.823 0.004 0.000 0.733 459 V HN 0.651 nan 8.190 nan 0.000 0.468 460 Q N 1.705 121.510 119.800 0.007 0.000 2.194 460 Q HA 0.109 4.449 4.340 -0.000 0.000 0.214 460 Q C 1.561 177.567 176.000 0.009 0.000 0.838 460 Q CA 0.265 56.071 55.803 0.005 0.000 0.972 460 Q CB 0.033 28.770 28.738 -0.003 0.000 1.131 460 Q HN 0.830 nan 8.270 nan 0.000 0.498 461 Q N 0.005 119.816 119.800 0.019 0.000 2.431 461 Q HA 0.123 4.463 4.340 -0.000 0.000 0.210 461 Q C 1.136 177.153 176.000 0.029 0.000 0.958 461 Q CA 0.563 56.385 55.803 0.032 0.000 0.957 461 Q CB 0.288 29.057 28.738 0.051 0.000 1.007 461 Q HN 0.152 nan 8.270 nan 0.000 0.511 462 S N -0.063 115.650 115.700 0.021 0.000 2.453 462 S HA 0.075 4.545 4.470 -0.000 0.000 0.231 462 S C 0.598 175.211 174.600 0.023 0.000 1.005 462 S CA 0.003 58.215 58.200 0.020 0.000 0.949 462 S CB 0.075 63.284 63.200 0.015 0.000 0.774 462 S HN 0.435 nan 8.310 nan 0.000 0.510 463 I N 2.306 122.889 120.570 0.022 0.000 2.365 463 I HA 0.173 4.343 4.170 -0.000 0.000 0.291 463 I C 0.233 176.370 176.117 0.034 0.000 1.004 463 I CA -0.440 60.875 61.300 0.024 0.000 1.311 463 I CB 0.988 38.999 38.000 0.018 0.000 1.401 463 I HN 0.082 nan 8.210 nan 0.000 0.491 464 D N 4.218 124.642 120.400 0.041 0.000 2.531 464 D HA -0.080 4.560 4.640 -0.000 0.000 0.239 464 D C 1.225 177.557 176.300 0.052 0.000 1.144 464 D CA 0.325 54.358 54.000 0.054 0.000 0.869 464 D CB 0.999 41.840 40.800 0.067 0.000 1.160 464 D HN 0.697 nan 8.370 nan 0.000 0.484 465 S N 4.278 120.016 115.700 0.063 0.000 2.442 465 S HA -0.185 4.285 4.470 -0.000 0.000 0.236 465 S C 1.655 176.289 174.600 0.056 0.000 1.007 465 S CA 0.582 58.821 58.200 0.064 0.000 0.965 465 S CB -0.053 63.206 63.200 0.098 0.000 0.773 465 S HN 0.560 nan 8.310 nan 0.000 0.504 466 R N 0.850 121.385 120.500 0.058 0.000 2.193 466 R HA 0.140 4.480 4.340 -0.000 0.000 0.229 466 R C 1.878 178.192 176.300 0.023 0.000 1.110 466 R CA 1.250 57.371 56.100 0.035 0.000 0.988 466 R CB -0.604 29.706 30.300 0.018 0.000 0.871 466 R HN 0.458 nan 8.270 nan 0.000 0.458 467 L N 0.317 121.558 121.223 0.030 0.000 2.341 467 L HA 0.094 4.433 4.340 -0.000 0.000 0.214 467 L C 0.797 177.688 176.870 0.036 0.000 1.115 467 L CA 0.310 55.168 54.840 0.030 0.000 0.820 467 L CB -0.005 42.072 42.059 0.029 0.000 0.944 467 L HN 0.060 nan 8.230 nan 0.000 0.452 468 I N 0.273 120.861 120.570 0.031 0.000 2.365 468 I HA 0.235 4.405 4.170 -0.000 0.000 0.291 468 I C -0.556 175.575 176.117 0.023 0.000 1.004 468 I CA -0.371 60.947 61.300 0.029 0.000 1.311 468 I CB 1.665 39.666 38.000 0.002 0.000 1.401 468 I HN -0.281 nan 8.210 nan 0.000 0.491 469 V N 4.769 124.714 119.914 0.051 0.000 2.735 469 V HA 0.359 4.479 4.120 -0.000 0.000 0.310 469 V C -0.746 175.338 176.094 -0.018 0.000 1.061 469 V CA -0.904 61.385 62.300 -0.019 0.000 0.913 469 V CB 2.157 33.948 31.823 -0.053 0.000 1.005 469 V HN 0.584 nan 8.190 nan 0.000 0.428 470 D N 2.033 122.381 120.400 -0.087 0.000 2.225 470 D HA 0.464 5.104 4.640 -0.000 0.000 0.249 470 D C -1.054 175.208 176.300 -0.062 0.000 1.052 470 D CA -0.004 54.025 54.000 0.048 0.000 0.909 470 D CB 1.555 42.461 40.800 0.177 0.000 1.186 470 D HN 0.461 nan 8.370 nan 0.000 0.431 471 W N 0.943 122.315 121.300 0.119 0.000 2.683 471 W HA 0.461 5.121 4.660 -0.000 0.000 0.329 471 W C 0.217 176.877 176.519 0.234 0.000 1.037 471 W CA -0.860 56.590 57.345 0.174 0.000 1.232 471 W CB 1.421 30.880 29.460 -0.001 0.000 1.390 471 W HN -0.076 nan 8.180 nan 0.000 0.465 472 R N 2.741 123.538 120.500 0.495 0.000 2.502 472 R HA 0.495 4.835 4.340 -0.000 0.000 0.298 472 R C -1.577 174.938 176.300 0.357 0.000 1.018 472 R CA -0.822 55.445 56.100 0.280 0.000 0.899 472 R CB 1.566 31.934 30.300 0.114 0.000 1.181 472 R HN 0.197 nan 8.270 nan 0.000 0.444 473 F N 3.174 123.025 119.950 -0.165 0.000 2.458 473 F HA 0.507 5.034 4.527 -0.000 0.000 0.336 473 F C -0.347 175.368 175.800 -0.142 0.000 1.114 473 F CA -1.233 56.742 58.000 -0.042 0.000 0.987 473 F CB 1.041 39.950 39.000 -0.150 0.000 1.130 473 F HN 0.291 nan 8.300 nan 0.000 0.458 474 F N 1.276 121.408 119.950 0.303 0.000 2.493 474 F HA 0.668 5.195 4.527 -0.000 0.000 0.329 474 F C 0.575 176.569 175.800 0.324 0.000 1.126 474 F CA -1.195 56.979 58.000 0.290 0.000 0.937 474 F CB 1.558 40.769 39.000 0.352 0.000 1.146 474 F HN 0.515 nan 8.300 nan 0.000 0.442 475 G N 2.095 111.135 108.800 0.401 0.000 2.434 475 G HA2 0.670 4.630 3.960 -0.000 0.000 0.330 475 G HA3 0.670 4.630 3.960 -0.000 0.000 0.330 475 G C -0.867 174.211 174.900 0.297 0.000 1.155 475 G CA -1.082 44.238 45.100 0.366 0.000 0.917 475 G HN 0.696 nan 8.290 nan 0.000 0.493 476 R N -0.736 119.933 120.500 0.282 0.000 2.500 476 R HA 0.714 5.054 4.340 -0.000 0.000 0.277 476 R C -0.948 175.446 176.300 0.157 0.000 1.026 476 R CA -0.581 55.612 56.100 0.156 0.000 1.058 476 R CB 1.149 31.546 30.300 0.162 0.000 1.078 476 R HN 0.282 nan 8.270 nan 0.000 0.509 477 T N 1.949 116.569 114.554 0.109 0.000 2.841 477 T HA 0.137 4.487 4.350 -0.000 0.000 0.285 477 T C -0.853 173.928 174.700 0.135 0.000 0.991 477 T CA -0.919 61.294 62.100 0.188 0.000 0.966 477 T CB 1.242 70.288 68.868 0.297 0.000 0.962 477 T HN 0.694 nan 8.240 nan 0.000 0.438 478 E N 4.068 124.351 120.200 0.138 0.000 2.344 478 E HA 0.202 4.552 4.350 -0.000 0.000 0.270 478 E C -2.479 174.203 176.600 0.138 0.000 1.021 478 E CA -1.964 54.509 56.400 0.121 0.000 0.887 478 E CB 0.211 29.974 29.700 0.105 0.000 0.997 478 E HN 0.229 nan 8.360 nan 0.000 0.429 479 P HA 0.026 nan 4.420 nan 0.000 0.266 479 P C -0.738 176.719 177.300 0.261 0.000 1.215 479 P CA 0.248 63.490 63.100 0.238 0.000 0.763 479 P CB 0.529 32.382 31.700 0.255 0.000 0.806 480 K N 2.751 123.258 120.400 0.178 0.000 2.316 480 K HA 0.144 4.464 4.320 -0.000 0.000 0.251 480 K C 1.106 177.596 176.600 -0.184 0.000 0.934 480 K CA -0.676 55.652 56.287 0.068 0.000 0.802 480 K CB 2.398 34.886 32.500 -0.021 0.000 1.171 480 K HN 0.455 nan 8.250 nan 0.000 0.426 481 E N 2.361 122.310 120.200 -0.418 0.000 2.118 481 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 481 E C 1.038 177.402 176.600 -0.393 0.000 0.992 481 E CA 1.678 57.571 56.400 -0.846 0.000 0.804 481 E CB 0.347 29.727 29.700 -0.533 0.000 0.741 481 E HN 0.562 nan 8.360 nan 0.000 0.458 482 E N 0.408 120.480 120.200 -0.214 0.000 2.347 482 E HA -0.112 4.238 4.350 -0.000 0.000 0.196 482 E C -0.064 176.477 176.600 -0.099 0.000 1.008 482 E CA 0.280 56.600 56.400 -0.132 0.000 0.852 482 E CB -0.306 29.333 29.700 -0.103 0.000 0.783 482 E HN 0.135 nan 8.360 nan 0.000 0.505 483 N N 1.976 120.610 118.700 -0.110 0.000 2.411 483 N HA 0.183 4.923 4.740 -0.000 0.000 0.259 483 N C -0.695 174.869 175.510 0.089 0.000 1.103 483 N CA 0.168 53.205 53.050 -0.022 0.000 0.954 483 N CB 1.184 39.642 38.487 -0.049 0.000 1.085 483 N HN 0.107 nan 8.380 nan 0.000 0.485 484 K N 1.210 121.717 120.400 0.178 0.000 2.469 484 K HA 0.455 4.775 4.320 -0.000 0.000 0.254 484 K C -1.204 175.534 176.600 0.230 0.000 0.939 484 K CA -0.890 55.514 56.287 0.194 0.000 0.812 484 K CB 2.411 35.032 32.500 0.201 0.000 1.301 484 K HN 0.200 nan 8.250 nan 0.000 0.433 485 L N 3.955 125.259 121.223 0.135 0.000 2.325 485 L HA 0.600 4.939 4.340 -0.000 0.000 0.281 485 L C -1.371 175.405 176.870 -0.157 0.000 1.004 485 L CA -0.072 54.679 54.840 -0.148 0.000 0.823 485 L CB 0.634 42.595 42.059 -0.162 0.000 1.236 485 L HN 0.690 nan 8.230 nan 0.000 0.415 486 W N 3.687 124.685 121.300 -0.504 0.000 3.032 486 W HA 0.652 5.312 4.660 -0.000 0.000 0.341 486 W C -2.277 173.850 176.519 -0.654 0.000 1.202 486 W CA -1.287 55.825 57.345 -0.389 0.000 1.132 486 W CB 0.927 30.314 29.460 -0.122 0.000 1.465 486 W HN 0.359 nan 8.180 nan 0.000 0.576 487 F N 1.535 121.644 119.950 0.264 0.000 2.547 487 F HA 0.329 4.855 4.527 -0.000 0.000 0.316 487 F C 0.736 176.674 175.800 0.231 0.000 1.121 487 F CA -0.944 57.092 58.000 0.060 0.000 0.911 487 F CB 2.151 41.177 39.000 0.044 0.000 1.179 487 F HN 0.271 nan 8.300 nan 0.000 0.443 488 S N 1.268 117.109 115.700 0.235 0.000 2.549 488 S HA 0.025 4.495 4.470 -0.000 0.000 0.283 488 S C 0.885 175.627 174.600 0.236 0.000 1.320 488 S CA -0.459 57.905 58.200 0.273 0.000 1.058 488 S CB 0.295 63.565 63.200 0.117 0.000 0.882 488 S HN 0.696 nan 8.310 nan 0.000 0.498 489 D N 3.713 124.246 120.400 0.221 0.000 2.347 489 D HA 0.038 4.677 4.640 -0.000 0.000 0.215 489 D C 1.173 177.536 176.300 0.105 0.000 0.976 489 D CA 0.948 55.033 54.000 0.142 0.000 0.884 489 D CB 0.150 41.017 40.800 0.112 0.000 0.915 489 D HN 0.537 nan 8.370 nan 0.000 0.526 490 K N -0.878 119.588 120.400 0.110 0.000 2.412 490 K HA 0.266 4.586 4.320 -0.000 0.000 0.201 490 K C 0.007 176.652 176.600 0.075 0.000 1.275 490 K CA -0.277 56.060 56.287 0.083 0.000 0.910 490 K CB 0.737 33.283 32.500 0.078 0.000 1.346 490 K HN -0.014 nan 8.250 nan 0.000 0.490 491 I N 2.468 123.086 120.570 0.079 0.000 2.474 491 I HA 0.011 4.180 4.170 -0.000 0.000 0.287 491 I C 0.411 176.566 176.117 0.064 0.000 1.048 491 I CA 0.128 61.465 61.300 0.061 0.000 1.383 491 I CB 1.346 39.373 38.000 0.046 0.000 1.412 491 I HN 0.177 nan 8.210 nan 0.000 0.531 492 T N 0.966 115.555 114.554 0.058 0.000 2.942 492 T HA 0.652 5.002 4.350 -0.000 0.000 0.289 492 T C -0.510 174.230 174.700 0.066 0.000 1.044 492 T CA -1.016 61.124 62.100 0.067 0.000 1.023 492 T CB 1.726 70.629 68.868 0.059 0.000 1.123 492 T HN 0.547 nan 8.240 nan 0.000 0.512 493 D N 0.120 120.576 120.400 0.092 0.000 2.506 493 D HA 0.481 5.121 4.640 -0.000 0.000 0.272 493 D C 1.633 177.976 176.300 0.072 0.000 1.214 493 D CA -0.489 53.572 54.000 0.103 0.000 1.067 493 D CB 0.244 41.145 40.800 0.169 0.000 1.117 493 D HN 0.629 nan 8.370 nan 0.000 0.578 494 A N -0.931 121.917 122.820 0.047 0.000 2.032 494 A HA -0.190 4.130 4.320 -0.000 0.000 0.221 494 A C 1.289 178.710 177.584 -0.273 0.000 1.165 494 A CA 1.150 53.116 52.037 -0.118 0.000 0.645 494 A CB -1.093 17.798 19.000 -0.182 0.000 0.807 494 A HN 0.588 nan 8.150 nan 0.000 0.453 495 Y N -0.149 120.176 120.300 0.043 0.000 2.683 495 Y HA 0.265 4.815 4.550 -0.000 0.000 0.297 495 Y C 0.453 176.385 175.900 0.054 0.000 1.147 495 Y CA -0.306 57.824 58.100 0.049 0.000 1.274 495 Y CB -0.684 37.792 38.460 0.027 0.000 1.143 495 Y HN 0.440 nan 8.280 nan 0.000 0.527 499 Q N 4.340 124.233 119.800 0.155 0.000 2.271 499 Q HA 0.320 4.660 4.340 -0.000 0.000 0.273 499 Q C -2.297 173.684 176.000 -0.032 0.000 1.051 499 Q CA -1.094 54.754 55.803 0.076 0.000 0.901 499 Q CB 0.420 29.157 28.738 -0.003 0.000 1.174 499 Q HN 0.123 nan 8.270 nan 0.000 0.385 500 P HA 0.140 nan 4.420 nan 0.000 0.268 500 P C -1.150 175.655 177.300 -0.824 0.000 1.205 500 P CA -0.088 62.611 63.100 -0.669 0.000 0.771 500 P CB 1.039 32.436 31.700 -0.505 0.000 0.858 501 T N 2.613 116.426 114.554 -1.235 0.000 2.952 501 T HA 0.518 4.867 4.350 -0.000 0.000 0.305 501 T C -0.695 173.298 174.700 -1.179 0.000 1.064 501 T CA -0.210 61.185 62.100 -1.176 0.000 1.008 501 T CB 0.502 68.360 68.868 -1.684 0.000 1.078 501 T HN 0.046 nan 8.240 nan 0.000 0.459 502 F N 1.653 121.335 119.950 -0.445 0.000 2.397 502 F HA 0.534 5.061 4.527 -0.000 0.000 0.331 502 F C 0.704 176.466 175.800 -0.064 0.000 1.090 502 F CA -0.682 57.176 58.000 -0.235 0.000 1.065 502 F CB 1.091 40.000 39.000 -0.151 0.000 1.184 502 F HN 0.383 nan 8.300 nan 0.000 0.499 503 D N 3.165 123.739 120.400 0.289 0.000 2.375 503 D HA 0.218 4.858 4.640 -0.000 0.000 0.259 503 D C -1.778 174.654 176.300 0.220 0.000 1.235 503 D CA -0.104 54.048 54.000 0.253 0.000 0.924 503 D CB 0.443 41.418 40.800 0.291 0.000 1.143 503 D HN 0.333 nan 8.370 nan 0.000 0.529 504 F N 2.795 122.742 119.950 -0.006 0.000 2.574 504 F HA 0.617 5.144 4.527 -0.000 0.000 0.313 504 F C -1.141 174.547 175.800 -0.186 0.000 1.130 504 F CA -0.744 57.185 58.000 -0.118 0.000 0.936 504 F CB 1.565 40.437 39.000 -0.213 0.000 1.219 504 F HN 0.108 nan 8.300 nan 0.000 0.445 505 R N 3.919 123.894 120.500 -0.875 0.000 2.698 505 R HA 0.525 4.865 4.340 -0.000 0.000 0.275 505 R C -1.741 173.933 176.300 -1.043 0.000 1.001 505 R CA -0.707 54.993 56.100 -0.667 0.000 0.896 505 R CB 1.351 31.486 30.300 -0.275 0.000 1.218 505 R HN 0.580 nan 8.270 nan 0.000 0.462 506 F N 4.111 123.837 119.950 -0.372 0.000 2.557 506 F HA 0.196 4.723 4.527 -0.000 0.000 0.384 506 F C -1.396 174.287 175.800 -0.194 0.000 1.057 506 F CA -0.947 56.921 58.000 -0.220 0.000 1.169 506 F CB 0.298 39.282 39.000 -0.025 0.000 1.070 506 F HN 0.295 nan 8.300 nan 0.000 0.554 507 P HA 0.043 nan 4.420 nan 0.000 0.264 507 P C -0.343 176.974 177.300 0.029 0.000 1.183 507 P CA -0.111 62.975 63.100 -0.024 0.000 0.763 507 P CB 0.518 32.220 31.700 0.003 0.000 0.807 508 A N 3.123 125.946 122.820 0.005 0.000 2.455 508 A HA 0.488 4.808 4.320 -0.000 0.000 0.244 508 A C 1.248 178.849 177.584 0.027 0.000 1.099 508 A CA 0.826 52.870 52.037 0.013 0.000 0.786 508 A CB -1.090 17.910 19.000 0.001 0.000 1.051 508 A HN 0.844 nan 8.150 nan 0.000 0.508 509 G N -0.221 108.595 108.800 0.027 0.000 2.509 509 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.256 509 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.256 509 G C 1.091 176.020 174.900 0.050 0.000 1.152 509 G CA 0.875 45.997 45.100 0.036 0.000 0.951 509 G HN 1.008 nan 8.290 nan 0.000 0.559 510 R N -0.174 120.362 120.500 0.060 0.000 2.083 510 R HA -0.088 4.252 4.340 -0.000 0.000 0.237 510 R C 2.886 179.243 176.300 0.094 0.000 1.137 510 R CA 2.742 58.888 56.100 0.076 0.000 0.951 510 R CB -0.979 29.367 30.300 0.077 0.000 0.851 510 R HN 0.642 nan 8.270 nan 0.000 0.434 511 T N 0.235 114.848 114.554 0.099 0.000 2.699 511 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 511 T C 1.940 176.686 174.700 0.077 0.000 1.036 511 T CA 1.927 64.097 62.100 0.117 0.000 1.147 511 T CB -0.203 68.754 68.868 0.149 0.000 0.862 511 T HN 0.291 nan 8.240 nan 0.000 0.446 512 S N 0.456 116.187 115.700 0.052 0.000 2.357 512 S HA -0.015 4.455 4.470 -0.000 0.000 0.221 512 S C 2.028 176.638 174.600 0.017 0.000 1.031 512 S CA 0.822 59.024 58.200 0.004 0.000 0.982 512 S CB -0.207 62.992 63.200 -0.002 0.000 0.853 512 S HN 0.457 nan 8.310 nan 0.000 0.458 513 K N 1.323 121.750 120.400 0.045 0.000 2.032 513 K HA -0.165 4.155 4.320 -0.000 0.000 0.209 513 K C 1.923 178.583 176.600 0.100 0.000 1.048 513 K CA 1.510 57.834 56.287 0.061 0.000 0.927 513 K CB -0.181 32.358 32.500 0.065 0.000 0.712 513 K HN 0.378 nan 8.250 nan 0.000 0.441 514 E N -0.180 120.105 120.200 0.142 0.000 2.077 514 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 514 E C 1.942 178.642 176.600 0.167 0.000 0.989 514 E CA 1.033 57.584 56.400 0.252 0.000 0.800 514 E CB -0.108 29.767 29.700 0.292 0.000 0.746 514 E HN 0.439 nan 8.360 nan 0.000 0.452 515 A N 1.188 124.067 122.820 0.098 0.000 1.902 515 A HA -0.239 4.080 4.320 -0.000 0.000 0.217 515 A C 2.055 179.697 177.584 0.097 0.000 1.181 515 A CA 1.731 53.816 52.037 0.080 0.000 0.623 515 A CB -0.320 18.693 19.000 0.022 0.000 0.818 515 A HN 0.111 nan 8.150 nan 0.000 0.443 516 E N 0.767 121.011 120.200 0.074 0.000 2.112 516 E HA -0.037 4.313 4.350 -0.000 0.000 0.190 516 E C 0.249 176.823 176.600 -0.043 0.000 0.979 516 E CA 0.480 56.918 56.400 0.063 0.000 0.814 516 E CB -0.257 29.467 29.700 0.039 0.000 0.762 516 E HN 0.532 nan 8.360 nan 0.000 0.460 527 A N 2.489 125.063 122.820 -0.410 0.000 2.121 527 A HA 0.103 4.423 4.320 -0.000 0.000 0.218 527 A C 1.920 179.398 177.584 -0.175 0.000 1.154 527 A CA 1.270 53.116 52.037 -0.317 0.000 0.679 527 A CB -0.494 18.337 19.000 -0.283 0.000 0.795 527 A HN 0.428 nan 8.150 nan 0.000 0.458 528 K N -0.332 120.008 120.400 -0.100 0.000 2.283 528 K HA 0.013 4.333 4.320 -0.000 0.000 0.202 528 K C 1.329 177.936 176.600 0.013 0.000 1.048 528 K CA 0.719 56.992 56.287 -0.024 0.000 0.948 528 K CB -0.180 32.346 32.500 0.043 0.000 0.742 528 K HN 0.469 nan 8.250 nan 0.000 0.458 529 I N -0.928 119.670 120.570 0.046 0.000 3.039 529 I HA 0.130 4.299 4.170 -0.000 0.000 0.270 529 I C 1.238 177.390 176.117 0.057 0.000 1.150 529 I CA 0.598 61.973 61.300 0.125 0.000 1.448 529 I CB -0.333 37.890 38.000 0.371 0.000 1.197 529 I HN 0.087 nan 8.210 nan 0.000 0.450 530 G N -0.736 108.051 108.800 -0.021 0.000 2.428 530 G HA2 0.493 4.452 3.960 -0.000 0.000 0.304 530 G HA3 0.493 4.452 3.960 -0.000 0.000 0.304 530 G C -0.828 173.941 174.900 -0.217 0.000 1.303 530 G CA -0.068 44.986 45.100 -0.076 0.000 0.825 530 G HN 0.303 nan 8.290 nan 0.000 0.484 531 G N -1.284 107.376 108.800 -0.232 0.000 2.522 531 G HA2 0.595 4.555 3.960 -0.000 0.000 0.304 531 G HA3 0.595 4.555 3.960 -0.000 0.000 0.304 531 G C -0.531 174.171 174.900 -0.331 0.000 1.210 531 G CA -0.666 44.185 45.100 -0.415 0.000 0.960 531 G HN 0.412 nan 8.290 nan 0.000 0.497 532 F N -0.728 119.139 119.950 -0.137 0.000 2.506 532 F HA 0.253 4.780 4.527 -0.000 0.000 0.351 532 F C 0.660 176.400 175.800 -0.100 0.000 1.136 532 F CA -0.793 57.119 58.000 -0.147 0.000 1.298 532 F CB 0.757 39.656 39.000 -0.170 0.000 1.145 532 F HN 0.159 nan 8.300 nan 0.000 0.593 533 L N 5.860 127.150 121.223 0.112 0.000 2.313 533 L HA 0.436 4.776 4.340 -0.000 0.000 0.282 533 L C -2.436 174.452 176.870 0.030 0.000 1.092 533 L CA -1.954 52.912 54.840 0.043 0.000 0.831 533 L CB 0.147 42.213 42.059 0.013 0.000 1.159 533 L HN 0.273 nan 8.230 nan 0.000 0.442 534 P HA 0.190 nan 4.420 nan 0.000 0.265 534 P C 0.666 177.963 177.300 -0.005 0.000 1.187 534 P CA 0.991 64.096 63.100 0.009 0.000 0.766 534 P CB 0.674 32.379 31.700 0.009 0.000 0.820 535 G N 1.853 110.644 108.800 -0.015 0.000 2.234 535 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 535 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 535 G C 0.544 175.434 174.900 -0.016 0.000 0.987 535 G CA 0.348 45.441 45.100 -0.013 0.000 0.625 535 G HN 0.544 nan 8.290 nan 0.000 0.532 536 S N 0.688 116.360 115.700 -0.047 0.000 2.474 536 S HA 0.518 4.988 4.470 -0.000 0.000 0.224 536 S C 0.446 174.911 174.600 -0.225 0.000 1.209 536 S CA -0.550 57.593 58.200 -0.094 0.000 1.212 536 S CB 0.205 63.339 63.200 -0.109 0.000 1.137 536 S HN 0.464 nan 8.310 nan 0.000 0.446 537 L N 2.694 123.782 121.223 -0.225 0.000 2.453 537 L HA 0.375 4.715 4.340 -0.000 0.000 0.261 537 L C -2.000 174.565 176.870 -0.508 0.000 1.179 537 L CA -2.191 52.401 54.840 -0.414 0.000 0.813 537 L CB 0.016 41.893 42.059 -0.304 0.000 1.110 537 L HN 0.089 nan 8.230 nan 0.000 0.466 538 P HA 0.022 nan 4.420 nan 0.000 0.267 538 P C -1.418 175.639 177.300 -0.404 0.000 1.205 538 P CA 0.049 62.766 63.100 -0.639 0.000 0.765 538 P CB 0.645 31.868 31.700 -0.795 0.000 0.828 539 Q N 1.562 121.168 119.800 -0.322 0.000 2.578 539 Q HA 0.460 4.799 4.340 -0.000 0.000 0.284 539 Q C -1.393 174.470 176.000 -0.228 0.000 0.960 539 Q CA -0.838 54.861 55.803 -0.174 0.000 0.809 539 Q CB 0.513 29.217 28.738 -0.057 0.000 1.462 539 Q HN 0.118 nan 8.270 nan 0.000 0.392 543 P HA 0.159 nan 4.420 nan 0.000 0.260 543 P C 0.733 177.949 177.300 -0.139 0.000 1.185 543 P CA 1.379 64.501 63.100 0.036 0.000 0.763 543 P CB 0.450 32.146 31.700 -0.007 0.000 0.776 544 G N 2.534 111.245 108.800 -0.149 0.000 2.194 544 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.236 544 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.236 544 G C 0.723 175.543 174.900 -0.134 0.000 0.987 544 G CA 0.124 45.091 45.100 -0.222 0.000 0.635 544 G HN 0.519 nan 8.290 nan 0.000 0.520 545 L N 1.081 122.249 121.223 -0.091 0.000 2.131 545 L HA 0.167 4.507 4.340 -0.000 0.000 0.210 545 L C 2.835 179.609 176.870 -0.161 0.000 1.092 545 L CA 2.497 57.276 54.840 -0.102 0.000 0.759 545 L CB -0.328 41.694 42.059 -0.063 0.000 0.903 545 L HN 0.561 nan 8.230 nan 0.000 0.435 546 V N -0.235 119.599 119.914 -0.133 0.000 2.720 546 V HA -0.145 3.975 4.120 -0.000 0.000 0.256 546 V C 1.453 177.369 176.094 -0.296 0.000 1.082 546 V CA 0.974 63.164 62.300 -0.183 0.000 1.101 546 V CB -0.364 31.421 31.823 -0.064 0.000 0.693 546 V HN 0.459 nan 8.190 nan 0.000 0.479 547 L N 0.507 121.644 121.223 -0.144 0.000 3.601 547 L HA -0.236 4.104 4.340 -0.000 0.000 0.469 547 L C 0.213 177.177 176.870 0.156 0.000 1.294 547 L CA 0.913 55.741 54.840 -0.021 0.000 0.829 547 L CB -2.377 39.692 42.059 0.018 0.000 1.628 547 L HN 0.602 nan 8.230 nan 0.000 0.868 548 H N -0.778 118.362 119.070 0.117 0.000 2.549 548 H HA 0.271 4.827 4.556 -0.000 0.000 0.253 548 H C 0.399 175.834 175.328 0.177 0.000 1.170 548 H CA -1.059 55.101 56.048 0.187 0.000 0.943 548 H CB 0.790 30.705 29.762 0.254 0.000 1.849 548 H HN 0.233 nan 8.280 nan 0.000 0.603 549 L N 1.882 123.222 121.223 0.195 0.000 2.540 549 L HA 0.248 4.588 4.340 -0.000 0.000 0.276 549 L C 0.559 177.539 176.870 0.184 0.000 1.212 549 L CA 0.855 55.762 54.840 0.112 0.000 0.893 549 L CB 0.351 42.437 42.059 0.045 0.000 1.138 549 L HN 0.307 nan 8.230 nan 0.000 0.491 550 G N 1.831 110.747 108.800 0.194 0.000 2.725 550 G HA2 0.535 4.494 3.960 -0.000 0.000 0.288 550 G HA3 0.535 4.494 3.960 -0.000 0.000 0.288 550 G C 0.242 175.233 174.900 0.152 0.000 1.399 550 G CA -0.312 44.923 45.100 0.225 0.000 0.859 550 G HN 1.341 nan 8.290 nan 0.000 0.479 551 G N -1.267 107.595 108.800 0.103 0.000 2.155 551 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.257 551 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.257 551 G C 1.231 176.174 174.900 0.071 0.000 0.983 551 G CA 1.627 46.789 45.100 0.104 0.000 0.676 551 G HN 1.850 nan 8.290 nan 0.000 0.528 552 T N -2.275 112.248 114.554 -0.052 0.000 3.023 552 T HA 0.168 4.518 4.350 -0.000 0.000 0.266 552 T C 1.013 175.733 174.700 0.033 0.000 1.093 552 T CA 1.684 63.788 62.100 0.007 0.000 1.129 552 T CB -0.188 68.688 68.868 0.013 0.000 0.899 552 T HN 1.323 nan 8.240 nan 0.000 0.491 553 H N 0.371 119.514 119.070 0.122 0.000 2.439 553 H HA 0.521 5.076 4.556 -0.000 0.000 0.228 553 H C 0.163 175.539 175.328 0.080 0.000 1.423 553 H CA -1.403 54.697 56.048 0.086 0.000 1.386 553 H CB -0.085 29.691 29.762 0.023 0.000 1.641 553 H HN 0.331 nan 8.280 nan 0.000 0.508 557 F N -0.019 120.026 119.950 0.158 0.000 2.293 557 F HA 0.263 4.790 4.527 -0.000 0.000 0.297 557 F C 1.140 177.066 175.800 0.210 0.000 1.089 557 F CA 1.162 59.258 58.000 0.160 0.000 1.377 557 F CB 0.428 39.482 39.000 0.090 0.000 1.051 557 F HN 0.402 nan 8.300 nan 0.000 0.511 558 D N -0.782 119.790 120.400 0.286 0.000 2.788 558 D HA 0.110 4.750 4.640 -0.000 0.000 0.247 558 D C 0.702 176.873 176.300 -0.216 0.000 1.236 558 D CA -0.270 53.755 54.000 0.041 0.000 0.898 558 D CB 1.230 42.066 40.800 0.059 0.000 1.401 558 D HN 0.105 nan 8.370 nan 0.000 0.549 559 E N 3.490 123.247 120.200 -0.739 0.000 2.058 559 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 559 E C 1.235 177.650 176.600 -0.309 0.000 0.997 559 E CA 1.115 56.993 56.400 -0.870 0.000 0.801 559 E CB 0.272 29.198 29.700 -1.289 0.000 0.746 559 E HN 0.389 nan 8.360 nan 0.000 0.450 560 K N 0.177 120.447 120.400 -0.216 0.000 2.007 560 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 560 K C 2.222 178.792 176.600 -0.051 0.000 1.047 560 K CA 1.262 57.492 56.287 -0.095 0.000 0.937 560 K CB -0.022 32.437 32.500 -0.069 0.000 0.718 560 K HN 0.145 nan 8.250 nan 0.000 0.438 561 E N 0.306 120.482 120.200 -0.039 0.000 2.153 561 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 561 E C 0.445 177.045 176.600 0.000 0.000 0.988 561 E CA 1.004 57.402 56.400 -0.003 0.000 0.811 561 E CB 0.171 29.882 29.700 0.018 0.000 0.746 561 E HN 0.328 nan 8.360 nan 0.000 0.466 562 D N 0.199 120.594 120.400 -0.009 0.000 2.501 562 D HA 0.056 4.695 4.640 -0.000 0.000 0.226 562 D C -0.694 175.550 176.300 -0.093 0.000 1.198 562 D CA -0.110 53.879 54.000 -0.019 0.000 0.830 562 D CB 0.002 40.829 40.800 0.045 0.000 1.014 562 D HN 0.095 nan 8.370 nan 0.000 0.496 563 N N 1.015 119.659 118.700 -0.094 0.000 2.696 563 N HA -0.207 4.532 4.740 -0.000 0.000 0.271 563 N C -0.043 175.415 175.510 -0.086 0.000 0.997 563 N CA 0.519 53.507 53.050 -0.103 0.000 0.801 563 N CB -1.335 37.006 38.487 -0.243 0.000 0.913 563 N HN 0.426 nan 8.380 nan 0.000 0.557 564 C N -3.222 116.088 119.300 0.016 0.000 3.108 564 C HA 0.743 5.203 4.460 -0.000 0.000 0.321 564 C C 1.482 176.645 174.990 0.287 0.000 1.357 564 C CA -0.779 58.321 59.018 0.136 0.000 1.562 564 C CB 1.549 29.388 27.740 0.166 0.000 2.003 564 C HN 0.507 nan 8.230 nan 0.000 0.460 565 C N 0.357 119.855 119.300 0.331 0.000 2.964 565 C HA 0.469 4.929 4.460 -0.000 0.000 0.358 565 C C 0.726 175.854 174.990 0.231 0.000 1.289 565 C CA 0.578 59.791 59.018 0.324 0.000 1.856 565 C CB -0.543 27.317 27.740 0.201 0.000 2.488 565 C HN 0.936 nan 8.230 nan 0.000 0.604 566 V N 0.953 120.894 119.914 0.044 0.000 2.962 566 V HA 0.683 4.803 4.120 -0.000 0.000 0.313 566 V C -0.684 175.085 176.094 -0.543 0.000 1.099 566 V CA -0.733 61.327 62.300 -0.400 0.000 0.971 566 V CB 1.464 33.161 31.823 -0.210 0.000 1.028 566 V HN 0.376 nan 8.190 nan 0.000 0.430 567 N N 1.135 119.343 118.700 -0.819 0.000 2.381 567 N HA 0.230 4.969 4.740 -0.000 0.000 0.289 567 N C 1.080 176.443 175.510 -0.244 0.000 1.288 567 N CA 0.405 53.192 53.050 -0.437 0.000 0.960 567 N CB -0.376 37.870 38.487 -0.402 0.000 1.116 567 N HN 0.935 nan 8.380 nan 0.000 0.557 568 T N -4.732 109.710 114.554 -0.185 0.000 3.085 568 T HA 0.020 4.370 4.350 -0.000 0.000 0.263 568 T C 0.166 174.777 174.700 -0.148 0.000 1.127 568 T CA 0.605 62.599 62.100 -0.177 0.000 1.103 568 T CB -0.376 68.399 68.868 -0.156 0.000 0.921 568 T HN 0.461 nan 8.240 nan 0.000 0.510 569 D N 1.413 121.722 120.400 -0.153 0.000 2.325 569 D HA 0.174 4.814 4.640 -0.000 0.000 0.225 569 D C 0.512 176.822 176.300 0.017 0.000 1.096 569 D CA 0.125 54.063 54.000 -0.103 0.000 0.844 569 D CB 0.024 40.681 40.800 -0.238 0.000 0.925 569 D HN 0.344 nan 8.370 nan 0.000 0.513 570 S N 0.205 115.879 115.700 -0.043 0.000 3.380 570 S HA -0.268 4.202 4.470 -0.000 0.000 0.300 570 S C 0.608 175.204 174.600 -0.007 0.000 1.255 570 S CA 0.473 58.681 58.200 0.013 0.000 0.963 570 S CB -1.442 61.840 63.200 0.137 0.000 1.106 570 S HN 0.488 nan 8.310 nan 0.000 0.629 571 R N 1.377 121.769 120.500 -0.180 0.000 2.340 571 R HA 0.405 4.745 4.340 -0.000 0.000 0.300 571 R C 0.026 176.023 176.300 -0.505 0.000 1.069 571 R CA -0.327 55.467 56.100 -0.511 0.000 0.984 571 R CB 0.558 30.535 30.300 -0.537 0.000 1.003 571 R HN 0.147 nan 8.270 nan 0.000 0.459 572 V N 6.485 126.136 119.914 -0.439 0.000 2.540 572 V HA -0.039 4.081 4.120 -0.000 0.000 0.297 572 V C 0.271 176.293 176.094 -0.120 0.000 1.024 572 V CA 0.346 62.474 62.300 -0.286 0.000 1.105 572 V CB -0.259 31.381 31.823 -0.305 0.000 0.938 572 V HN 0.555 nan 8.190 nan 0.000 0.482 573 F N 3.500 123.487 119.950 0.062 0.000 2.629 573 F HA 0.385 4.912 4.527 -0.000 0.000 0.377 573 F C 1.628 177.554 175.800 0.210 0.000 1.101 573 F CA 1.543 59.604 58.000 0.102 0.000 1.301 573 F CB -0.055 38.999 39.000 0.090 0.000 1.062 573 F HN 0.789 nan 8.300 nan 0.000 0.583 574 G N 2.023 110.992 108.800 0.283 0.000 2.267 574 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.257 574 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.257 574 G C -0.115 174.702 174.900 -0.138 0.000 0.998 574 G CA -0.329 44.819 45.100 0.081 0.000 0.620 574 G HN 0.477 nan 8.290 nan 0.000 0.529 575 F N 1.083 121.055 119.950 0.036 0.000 2.427 575 F HA 0.477 5.004 4.527 -0.000 0.000 0.348 575 F C 1.368 177.146 175.800 -0.036 0.000 1.125 575 F CA -0.376 57.631 58.000 0.011 0.000 0.989 575 F CB 1.785 40.794 39.000 0.016 0.000 1.165 575 F HN 0.118 nan 8.300 nan 0.000 0.442 576 K N 1.290 121.779 120.400 0.149 0.000 2.211 576 K HA -0.127 4.193 4.320 -0.000 0.000 0.203 576 K C 0.531 177.329 176.600 0.331 0.000 1.050 576 K CA 1.742 58.155 56.287 0.209 0.000 0.945 576 K CB 0.016 32.638 32.500 0.203 0.000 0.732 576 K HN 0.602 nan 8.250 nan 0.000 0.451 577 N N 0.474 119.336 118.700 0.269 0.000 2.305 577 N HA 0.079 4.819 4.740 -0.000 0.000 0.248 577 N C -1.020 174.569 175.510 0.131 0.000 1.290 577 N CA -0.535 52.713 53.050 0.331 0.000 0.873 577 N CB 0.339 39.096 38.487 0.450 0.000 1.261 577 N HN 0.176 nan 8.380 nan 0.000 0.504 578 L N 0.676 121.779 121.223 -0.200 0.000 2.333 578 L HA 0.684 5.024 4.340 -0.000 0.000 0.280 578 L C -1.713 174.766 176.870 -0.652 0.000 1.004 578 L CA -0.584 54.105 54.840 -0.253 0.000 0.820 578 L CB 0.829 42.737 42.059 -0.252 0.000 1.247 578 L HN -0.030 nan 8.230 nan 0.000 0.416 579 F N 5.059 124.929 119.950 -0.133 0.000 2.532 579 F HA 0.626 5.153 4.527 -0.000 0.000 0.321 579 F C -0.550 175.092 175.800 -0.263 0.000 1.089 579 F CA -0.677 57.222 58.000 -0.169 0.000 0.926 579 F CB 1.794 40.728 39.000 -0.111 0.000 1.168 579 F HN 0.184 nan 8.300 nan 0.000 0.459 580 L N 2.329 123.495 121.223 -0.094 0.000 2.322 580 L HA 0.846 5.186 4.340 -0.000 0.000 0.281 580 L C 0.082 176.925 176.870 -0.045 0.000 1.014 580 L CA -0.747 53.955 54.840 -0.230 0.000 0.815 580 L CB 1.814 43.574 42.059 -0.499 0.000 1.247 580 L HN 0.791 nan 8.230 nan 0.000 0.421 581 G N 0.633 109.423 108.800 -0.017 0.000 2.524 581 G HA2 0.788 4.747 3.960 -0.000 0.000 0.310 581 G HA3 0.788 4.747 3.960 -0.000 0.000 0.310 581 G C -0.506 174.489 174.900 0.159 0.000 1.279 581 G CA -0.288 44.913 45.100 0.168 0.000 0.974 581 G HN 0.947 nan 8.290 nan 0.000 0.484 582 G N -1.199 107.698 108.800 0.162 0.000 2.354 582 G HA2 0.060 4.020 3.960 -0.000 0.000 0.582 582 G HA3 0.060 4.020 3.960 -0.000 0.000 0.582 582 G C 0.769 175.738 174.900 0.115 0.000 1.316 582 G CA 0.012 45.193 45.100 0.135 0.000 0.995 582 G HN 1.207 nan 8.290 nan 0.000 0.573 583 C N 0.561 119.904 119.300 0.072 0.000 2.409 583 C HA 0.181 4.641 4.460 -0.000 0.000 0.288 583 C C 2.980 177.980 174.990 0.016 0.000 1.395 583 C CA 1.767 60.810 59.018 0.042 0.000 1.792 583 C CB -1.345 26.443 27.740 0.079 0.000 1.847 583 C HN 1.286 nan 8.230 nan 0.000 0.534 584 G N 1.099 109.846 108.800 -0.087 0.000 2.498 584 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.219 584 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.219 584 G C 1.432 176.088 174.900 -0.408 0.000 1.119 584 G CA 0.606 45.393 45.100 -0.521 0.000 0.766 584 G HN 0.561 nan 8.290 nan 0.000 0.552 585 N N 0.419 119.120 118.700 0.001 0.000 2.331 585 N HA 0.015 4.755 4.740 -0.000 0.000 0.180 585 N C 0.907 176.459 175.510 0.068 0.000 1.019 585 N CA 0.168 53.291 53.050 0.122 0.000 0.881 585 N CB 0.066 38.641 38.487 0.146 0.000 0.972 585 N HN 0.299 nan 8.380 nan 0.000 0.435 586 I N 3.236 123.840 120.570 0.056 0.000 2.505 586 I HA 0.018 4.188 4.170 -0.000 0.000 0.287 586 I C -1.335 174.873 176.117 0.152 0.000 1.104 586 I CA -0.933 60.416 61.300 0.083 0.000 1.387 586 I CB 1.037 39.033 38.000 -0.007 0.000 1.404 586 I HN -0.052 nan 8.210 nan 0.000 0.528 587 P HA 0.065 nan 4.420 nan 0.000 0.261 587 P C 0.138 177.521 177.300 0.138 0.000 1.268 587 P CA 0.200 63.366 63.100 0.110 0.000 0.833 587 P CB 0.147 31.874 31.700 0.045 0.000 1.231 588 T N -2.300 112.373 114.554 0.199 0.000 2.923 588 T HA 0.700 5.050 4.350 -0.000 0.000 0.281 588 T C 0.146 174.968 174.700 0.204 0.000 0.995 588 T CA -0.921 61.282 62.100 0.172 0.000 0.985 588 T CB 1.229 70.176 68.868 0.131 0.000 1.114 588 T HN 0.051 nan 8.240 nan 0.000 0.548 589 A N 1.563 124.447 122.820 0.107 0.000 2.354 589 A HA 0.611 4.931 4.320 -0.000 0.000 0.281 589 A C -0.665 176.903 177.584 -0.026 0.000 1.174 589 A CA -0.754 51.301 52.037 0.031 0.000 0.828 589 A CB -0.842 18.191 19.000 0.056 0.000 1.099 589 A HN 0.909 nan 8.150 nan 0.000 0.516 590 Y N -0.451 119.774 120.300 -0.125 0.000 2.524 590 Y HA 0.698 5.248 4.550 -0.000 0.000 0.347 590 Y C 0.656 176.422 175.900 -0.222 0.000 1.005 590 Y CA -0.620 57.230 58.100 -0.417 0.000 1.025 590 Y CB 1.313 39.323 38.460 -0.751 0.000 1.275 590 Y HN 0.433 nan 8.280 nan 0.000 0.460 591 G N 0.676 109.382 108.800 -0.157 0.000 2.673 591 G HA2 0.400 4.360 3.960 -0.000 0.000 0.208 591 G HA3 0.400 4.360 3.960 -0.000 0.000 0.208 591 G C 0.420 175.378 174.900 0.096 0.000 1.128 591 G CA 0.191 45.380 45.100 0.148 0.000 0.805 591 G HN 0.955 nan 8.290 nan 0.000 0.526 592 A N 0.728 123.434 122.820 -0.191 0.000 2.346 592 A HA 0.483 4.803 4.320 -0.000 0.000 0.252 592 A C -0.090 177.364 177.584 -0.217 0.000 1.089 592 A CA -0.528 51.282 52.037 -0.377 0.000 0.797 592 A CB 0.040 18.862 19.000 -0.298 0.000 1.047 592 A HN 0.360 nan 8.150 nan 0.000 0.494 593 N N 1.891 120.313 118.700 -0.463 0.000 2.440 593 N HA 0.208 4.948 4.740 -0.000 0.000 0.265 593 N C -1.995 173.429 175.510 -0.143 0.000 1.239 593 N CA -0.722 52.092 53.050 -0.395 0.000 0.909 593 N CB 0.457 38.771 38.487 -0.289 0.000 1.066 593 N HN 0.420 nan 8.380 nan 0.000 0.474 594 P HA -0.018 nan 4.420 nan 0.000 0.235 594 P C 0.598 177.780 177.300 -0.195 0.000 1.177 594 P CA 0.648 63.628 63.100 -0.199 0.000 0.785 594 P CB 0.288 31.852 31.700 -0.227 0.000 0.885 595 T N 1.319 115.842 114.554 -0.052 0.000 2.653 595 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 595 T C 1.770 176.536 174.700 0.109 0.000 1.035 595 T CA 1.412 63.549 62.100 0.062 0.000 1.154 595 T CB -0.922 68.043 68.868 0.162 0.000 0.862 595 T HN 0.038 nan 8.240 nan 0.000 0.441 596 L N 0.855 122.158 121.223 0.133 0.000 2.083 596 L HA -0.085 4.254 4.340 -0.000 0.000 0.209 596 L C 2.537 179.445 176.870 0.064 0.000 1.083 596 L CA 1.776 56.732 54.840 0.193 0.000 0.752 596 L CB -1.045 41.135 42.059 0.201 0.000 0.899 596 L HN 0.206 nan 8.230 nan 0.000 0.433 597 T N 0.178 114.639 114.554 -0.155 0.000 2.746 597 T HA 0.001 4.351 4.350 -0.000 0.000 0.267 597 T C 1.096 175.700 174.700 -0.160 0.000 1.039 597 T CA 0.801 62.717 62.100 -0.306 0.000 1.142 597 T CB -0.478 67.839 68.868 -0.919 0.000 0.866 597 T HN 0.528 nan 8.240 nan 0.000 0.444 601 L N 2.970 124.059 121.223 -0.222 0.000 2.046 601 L HA 0.176 4.516 4.340 -0.000 0.000 0.208 601 L C 2.638 179.370 176.870 -0.231 0.000 1.077 601 L CA 2.383 57.093 54.840 -0.217 0.000 0.747 601 L CB -1.389 40.614 42.059 -0.093 0.000 0.896 601 L HN 0.492 nan 8.230 nan 0.000 0.432 602 A N -0.701 121.965 122.820 -0.258 0.000 1.930 602 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 602 A C 2.334 179.573 177.584 -0.575 0.000 1.175 602 A CA 1.509 53.242 52.037 -0.507 0.000 0.627 602 A CB -0.614 18.053 19.000 -0.555 0.000 0.815 602 A HN 0.369 nan 8.150 nan 0.000 0.443 603 I N -0.414 119.923 120.570 -0.388 0.000 2.208 603 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 603 I C 2.524 178.470 176.117 -0.285 0.000 1.097 603 I CA 1.940 63.051 61.300 -0.315 0.000 1.363 603 I CB -0.167 37.668 38.000 -0.276 0.000 1.051 603 I HN 0.352 nan 8.210 nan 0.000 0.413 604 K N 0.234 120.462 120.400 -0.286 0.000 2.097 604 K HA -0.216 4.104 4.320 -0.000 0.000 0.206 604 K C 2.351 178.850 176.600 -0.169 0.000 1.049 604 K CA 1.732 57.879 56.287 -0.234 0.000 0.933 604 K CB -0.112 32.218 32.500 -0.284 0.000 0.717 604 K HN 0.184 nan 8.250 nan 0.000 0.442 605 S N -0.113 115.465 115.700 -0.204 0.000 2.368 605 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 605 S C 2.011 176.492 174.600 -0.198 0.000 1.029 605 S CA 1.346 59.464 58.200 -0.137 0.000 0.988 605 S CB -0.411 62.742 63.200 -0.079 0.000 0.838 605 S HN 0.560 nan 8.310 nan 0.000 0.462 606 C N 1.550 120.659 119.300 -0.319 0.000 2.432 606 C HA 0.061 4.521 4.460 -0.000 0.000 0.280 606 C C 2.490 177.386 174.990 -0.157 0.000 1.353 606 C CA 0.523 59.374 59.018 -0.278 0.000 1.766 606 C CB -1.475 26.074 27.740 -0.319 0.000 1.924 606 C HN 0.677 nan 8.230 nan 0.000 0.509 607 E N -0.380 119.753 120.200 -0.112 0.000 2.077 607 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 607 E C 1.830 178.432 176.600 0.003 0.000 0.989 607 E CA 1.404 57.773 56.400 -0.051 0.000 0.800 607 E CB -0.284 29.384 29.700 -0.054 0.000 0.746 607 E HN 0.832 nan 8.360 nan 0.000 0.452 608 Y N 1.151 121.407 120.300 -0.073 0.000 2.200 608 Y HA -0.181 4.369 4.550 -0.000 0.000 0.290 608 Y C 1.897 177.823 175.900 0.043 0.000 1.137 608 Y CA 1.345 59.446 58.100 0.002 0.000 1.163 608 Y CB -0.046 38.448 38.460 0.057 0.000 0.988 608 Y HN -0.049 nan 8.280 nan 0.000 0.518 609 I N 0.324 120.873 120.570 -0.034 0.000 2.226 609 I HA -0.325 3.845 4.170 -0.000 0.000 0.245 609 I C 2.258 178.409 176.117 0.057 0.000 1.100 609 I CA 1.652 62.929 61.300 -0.038 0.000 1.374 609 I CB -0.400 37.373 38.000 -0.378 0.000 1.057 609 I HN 0.153 nan 8.210 nan 0.000 0.413 610 K N 0.332 120.732 120.400 -0.001 0.000 2.209 610 K HA -0.191 4.129 4.320 -0.000 0.000 0.204 610 K C 2.024 178.669 176.600 0.075 0.000 1.048 610 K CA 1.152 57.514 56.287 0.126 0.000 0.940 610 K CB -0.083 32.464 32.500 0.077 0.000 0.729 610 K HN 0.409 nan 8.250 nan 0.000 0.451 611 Q N -0.261 119.509 119.800 -0.049 0.000 2.389 611 Q HA 0.051 4.391 4.340 -0.000 0.000 0.204 611 Q C 0.976 176.859 176.000 -0.194 0.000 0.944 611 Q CA 0.594 56.327 55.803 -0.116 0.000 0.908 611 Q CB 0.450 29.096 28.738 -0.154 0.000 1.002 611 Q HN 0.253 nan 8.270 nan 0.000 0.493 612 N N -1.212 117.342 118.700 -0.243 0.000 2.145 612 N HA 0.148 4.888 4.740 -0.000 0.000 0.219 612 N C -1.002 174.105 175.510 -0.672 0.000 1.266 612 N CA 0.233 52.997 53.050 -0.477 0.000 0.902 612 N CB 1.088 39.118 38.487 -0.761 0.000 1.078 612 N HN -0.002 nan 8.380 nan 0.000 0.513 613 F N 0.528 120.503 119.950 0.043 0.000 2.569 613 F HA 0.343 4.870 4.527 -0.000 0.000 0.312 613 F C 0.101 176.008 175.800 0.178 0.000 1.109 613 F CA -0.709 57.379 58.000 0.145 0.000 0.919 613 F CB 1.818 40.946 39.000 0.213 0.000 1.211 613 F HN -0.374 nan 8.300 nan 0.000 0.446 614 T N 3.638 118.328 114.554 0.227 0.000 2.767 614 T HA 0.386 4.735 4.350 -0.000 0.000 0.288 614 T C -2.551 172.114 174.700 -0.057 0.000 0.963 614 T CA -1.426 60.697 62.100 0.038 0.000 1.019 614 T CB 1.002 69.875 68.868 0.008 0.000 0.923 614 T HN 0.131 nan 8.240 nan 0.000 0.468 615 P HA 0.102 nan 4.420 nan 0.000 0.265 615 P C 0.027 177.243 177.300 -0.141 0.000 1.193 615 P CA -0.299 62.537 63.100 -0.440 0.000 0.765 615 P CB 0.291 31.645 31.700 -0.578 0.000 0.823 616 S N 3.395 119.061 115.700 -0.057 0.000 2.579 616 S HA 0.314 4.784 4.470 -0.000 0.000 0.275 616 S C -2.268 172.323 174.600 -0.015 0.000 1.345 616 S CA -1.038 57.150 58.200 -0.021 0.000 1.031 616 S CB -0.569 62.626 63.200 -0.009 0.000 0.892 616 S HN 0.226 nan 8.310 nan 0.000 0.529 617 P HA 0.199 nan 4.420 nan 0.000 0.271 617 P C -0.671 176.665 177.300 0.059 0.000 1.216 617 P CA -0.444 62.675 63.100 0.031 0.000 0.771 617 P CB 0.086 31.797 31.700 0.019 0.000 0.864 618 F N 3.691 123.624 119.950 -0.028 0.000 2.538 618 F HA 0.016 4.543 4.527 -0.000 0.000 0.382 618 F C 0.768 176.559 175.800 -0.015 0.000 1.069 618 F CA 0.463 58.453 58.000 -0.017 0.000 1.138 618 F CB -0.113 38.878 39.000 -0.014 0.000 1.068 618 F HN 0.277 nan 8.300 nan 0.000 0.556 619 T N 0.000 114.378 114.554 -0.294 0.000 3.816 619 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 619 T CA 0.000 62.002 62.100 -0.163 0.000 1.349 619 T CB 0.000 68.761 68.868 -0.179 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658