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 1gvi_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRKEAIHHRS TDNFAYAYDS ETLHLRLQTK KNDVDHVELL FGDPYEWHDG DATA SEQUENCE AWQFQTMPMR KTGSDGLFDY WLAEVKPPYR RLRYGFVLRA GGEKLVYTEK DATA SEQUENCE GFYHEAPSDD TAYYFCFPFL HRVDLFQAPD WVKDTVWYQI FPERFANGNP DATA SEQUENCE AISPKGARPW GSEDPTPTSF FGGDLQGIID HLDYLADLGI TGIYLTPIFR DATA SEQUENCE APSNHKYDTA DYFEIDPHFG DKETLKTLVK RCHEKGIRVM LDAVFNHCGY DATA SEQUENCE EFAPFQDVLK NGAASRYKDW FHIREFPLQT EPRPNYDTFA FVPHMPKLNT DATA SEQUENCE AHPEVKRYLL DVATYWIREF DIDGWRLDVA NEIDHQFWRE FRQAVKALKP DATA SEQUENCE DVYILGLIWH DAMPWLRGDQ FDAVMNYPLA DAALRFFAKE DMSASEFADR DATA SEQUENCE LMHVLHSYPK QVNEAAFNLL GSHDTPRLLT VCGGDVRKVK LLFLFQLTFT DATA SEQUENCE GSPCIYYGDE IGMTGGNDPE CRKCMVWDPE KQNKELYEHV KQLIALRKQY DATA SEQUENCE RALRRGDVAF LTADDEVNHL VYAKTDGNET VMIIINRSNE AAEIPMPIDA DATA SEQUENCE RGKWLVNLLT GERFAAEAET LCVSLPPYGF VLYAVESW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.223 176.300 -0.129 0.000 1.140 1 M CA 0.000 55.248 55.300 -0.087 0.000 0.988 1 M CB 0.000 32.538 32.600 -0.104 0.000 1.302 2 R N 3.098 123.545 120.500 -0.089 0.000 2.486 2 R HA 0.005 4.347 4.340 0.002 0.000 0.303 2 R C 0.333 176.559 176.300 -0.124 0.000 0.958 2 R CA 0.444 56.492 56.100 -0.087 0.000 1.077 2 R CB 0.163 30.439 30.300 -0.040 0.000 0.921 2 R HN 0.719 nan 8.270 nan 0.000 0.406 3 K N 2.315 122.611 120.400 -0.174 0.000 2.262 3 K HA -0.063 4.258 4.320 0.002 0.000 0.200 3 K C 1.184 177.776 176.600 -0.014 0.000 1.049 3 K CA 0.705 56.861 56.287 -0.217 0.000 0.979 3 K CB 0.265 32.514 32.500 -0.418 0.000 0.773 3 K HN 0.390 nan 8.250 nan 0.000 0.474 4 E N 1.147 121.353 120.200 0.011 0.000 2.273 4 E HA -0.189 4.162 4.350 0.002 0.000 0.198 4 E C 1.540 178.194 176.600 0.091 0.000 1.002 4 E CA 1.364 57.799 56.400 0.059 0.000 0.828 4 E CB -0.203 29.525 29.700 0.046 0.000 0.747 4 E HN 0.350 nan 8.360 nan 0.000 0.491 5 A N 0.256 123.135 122.820 0.098 0.000 2.220 5 A HA 0.213 4.534 4.320 0.002 0.000 0.211 5 A C 0.781 178.431 177.584 0.109 0.000 1.176 5 A CA -0.300 51.857 52.037 0.200 0.000 0.834 5 A CB 0.096 19.250 19.000 0.255 0.000 0.868 5 A HN 0.106 nan 8.150 nan 0.000 0.488 6 I N 0.924 121.504 120.570 0.016 0.000 2.416 6 I HA 0.306 4.478 4.170 0.002 0.000 0.288 6 I C 0.012 176.044 176.117 -0.141 0.000 1.051 6 I CA 0.060 61.294 61.300 -0.110 0.000 1.375 6 I CB 0.394 38.280 38.000 -0.191 0.000 1.407 6 I HN 0.386 nan 8.210 nan 0.000 0.516 7 H N 4.837 123.763 119.070 -0.240 0.000 3.085 7 H HA 0.569 5.127 4.556 0.002 0.000 0.356 7 H C -1.475 173.695 175.328 -0.263 0.000 1.178 7 H CA -0.691 55.256 56.048 -0.169 0.000 1.214 7 H CB 1.509 31.140 29.762 -0.218 0.000 1.881 7 H HN 0.679 nan 8.280 nan 0.000 0.538 8 H N 2.646 121.006 119.070 -1.182 0.000 3.094 8 H HA 0.521 5.078 4.556 0.002 0.000 0.335 8 H C -1.615 173.016 175.328 -1.162 0.000 1.254 8 H CA -0.655 54.595 56.048 -1.329 0.000 1.240 8 H CB 1.105 30.333 29.762 -0.889 0.000 1.936 8 H HN 0.637 nan 8.280 nan 0.000 0.536 9 R N 1.612 121.193 120.500 -1.531 0.000 2.808 9 R HA 0.376 4.717 4.340 0.002 0.000 0.272 9 R C -0.948 174.933 176.300 -0.699 0.000 0.995 9 R CA -0.537 55.122 56.100 -0.736 0.000 0.917 9 R CB 2.081 32.178 30.300 -0.339 0.000 1.217 9 R HN 0.769 nan 8.270 nan 0.000 0.471 10 S N 0.433 116.054 115.700 -0.132 0.000 3.489 10 S HA 0.310 4.781 4.470 0.002 0.000 0.227 10 S C -0.107 174.593 174.600 0.168 0.000 1.360 10 S CA -0.374 57.933 58.200 0.179 0.000 0.934 10 S CB 0.451 63.914 63.200 0.437 0.000 1.410 10 S HN 0.619 nan 8.310 nan 0.000 0.483 11 T N 0.935 115.592 114.554 0.171 0.000 2.717 11 T HA 0.325 4.676 4.350 0.002 0.000 0.315 11 T C -1.149 173.704 174.700 0.255 0.000 1.746 11 T CA -0.218 62.002 62.100 0.200 0.000 1.001 11 T CB 0.586 69.529 68.868 0.126 0.000 1.673 11 T HN 0.454 nan 8.240 nan 0.000 0.498 12 D N 1.540 122.076 120.400 0.226 0.000 3.310 12 D HA -0.242 4.400 4.640 0.002 0.000 0.184 12 D C 1.112 177.545 176.300 0.222 0.000 1.308 12 D CA 1.639 55.754 54.000 0.191 0.000 0.973 12 D CB -0.727 40.166 40.800 0.156 0.000 0.557 12 D HN 0.874 nan 8.370 nan 0.000 0.585 13 N N 1.050 119.805 118.700 0.091 0.000 2.651 13 N HA -0.157 4.585 4.740 0.002 0.000 0.193 13 N C 1.303 176.794 175.510 -0.031 0.000 1.149 13 N CA 1.035 54.076 53.050 -0.015 0.000 0.933 13 N CB -0.351 38.000 38.487 -0.227 0.000 0.974 13 N HN 0.350 nan 8.380 nan 0.000 0.448 14 F N 0.214 120.299 119.950 0.225 0.000 2.653 14 F HA 0.480 5.008 4.527 0.002 0.000 0.288 14 F C 1.041 176.992 175.800 0.251 0.000 1.121 14 F CA 0.122 58.224 58.000 0.169 0.000 1.384 14 F CB 0.414 39.328 39.000 -0.145 0.000 1.115 14 F HN 0.128 nan 8.300 nan 0.000 0.599 15 A N -0.011 123.068 122.820 0.432 0.000 2.466 15 A HA 0.649 4.970 4.320 0.002 0.000 0.284 15 A C -1.688 176.143 177.584 0.412 0.000 1.049 15 A CA -0.448 51.790 52.037 0.335 0.000 0.760 15 A CB 0.154 19.426 19.000 0.453 0.000 1.274 15 A HN 0.272 nan 8.150 nan 0.000 0.412 16 Y N -0.934 119.486 120.300 0.200 0.000 2.725 16 Y HA 0.816 5.368 4.550 0.002 0.000 0.333 16 Y C -0.368 175.538 175.900 0.011 0.000 1.242 16 Y CA -1.060 57.164 58.100 0.207 0.000 1.059 16 Y CB 0.876 39.426 38.460 0.151 0.000 1.306 16 Y HN 1.134 nan 8.280 nan 0.000 0.454 17 A N 1.111 124.118 122.820 0.312 0.000 2.260 17 A HA 0.461 4.782 4.320 0.002 0.000 0.314 17 A C -0.575 177.198 177.584 0.316 0.000 1.257 17 A CA -0.537 51.586 52.037 0.143 0.000 0.871 17 A CB -0.034 19.057 19.000 0.152 0.000 1.166 17 A HN 0.923 nan 8.150 nan 0.000 0.522 18 Y N 2.868 123.197 120.300 0.048 0.000 2.176 18 Y HA 0.036 4.588 4.550 0.002 0.000 0.291 18 Y C 0.712 176.632 175.900 0.033 0.000 1.122 18 Y CA 2.080 60.166 58.100 -0.023 0.000 1.128 18 Y CB 0.167 38.438 38.460 -0.315 0.000 1.005 18 Y HN 0.803 nan 8.280 nan 0.000 0.509 19 D N -2.344 118.100 120.400 0.073 0.000 2.585 19 D HA 0.198 4.840 4.640 0.002 0.000 0.254 19 D C 0.200 176.529 176.300 0.048 0.000 1.067 19 D CA -0.101 53.897 54.000 -0.003 0.000 1.090 19 D CB 0.864 41.687 40.800 0.037 0.000 1.408 19 D HN -0.014 nan 8.370 nan 0.000 0.554 20 S N -1.602 114.123 115.700 0.042 0.000 2.894 20 S HA -0.011 4.460 4.470 0.002 0.000 0.231 20 S C 0.762 175.379 174.600 0.028 0.000 0.971 20 S CA 0.564 58.795 58.200 0.052 0.000 1.005 20 S CB -0.694 62.540 63.200 0.058 0.000 0.799 20 S HN 0.652 nan 8.310 nan 0.000 0.527 21 E N -0.563 119.648 120.200 0.018 0.000 2.626 21 E HA 0.058 4.409 4.350 0.002 0.000 0.194 21 E C -0.818 175.765 176.600 -0.030 0.000 0.950 21 E CA 0.119 56.511 56.400 -0.012 0.000 1.583 21 E CB 0.660 30.361 29.700 0.002 0.000 1.881 21 E HN 0.404 nan 8.360 nan 0.000 0.979 22 T N 1.591 116.152 114.554 0.013 0.000 2.807 22 T HA 0.500 4.851 4.350 0.002 0.000 0.279 22 T C -0.388 174.303 174.700 -0.016 0.000 0.993 22 T CA -0.463 61.640 62.100 0.005 0.000 0.970 22 T CB 1.622 70.550 68.868 0.099 0.000 0.950 22 T HN 0.058 nan 8.240 nan 0.000 0.441 23 L N 2.773 123.900 121.223 -0.161 0.000 2.343 23 L HA 0.510 4.852 4.340 0.002 0.000 0.275 23 L C -0.398 176.338 176.870 -0.223 0.000 1.056 23 L CA -0.869 53.783 54.840 -0.314 0.000 0.804 23 L CB 0.975 42.695 42.059 -0.565 0.000 1.203 23 L HN 0.646 nan 8.230 nan 0.000 0.440 24 H N 3.297 122.001 119.070 -0.610 0.000 2.539 24 H HA 0.501 5.059 4.556 0.002 0.000 0.332 24 H C -1.012 174.014 175.328 -0.504 0.000 1.031 24 H CA -0.425 55.239 56.048 -0.640 0.000 1.206 24 H CB 1.391 30.510 29.762 -1.072 0.000 1.446 24 H HN 0.123 nan 8.280 nan 0.000 0.496 25 L N 4.121 125.229 121.223 -0.191 0.000 2.342 25 L HA 0.439 4.780 4.340 0.002 0.000 0.276 25 L C -0.075 176.934 176.870 0.230 0.000 0.997 25 L CA -0.453 54.422 54.840 0.057 0.000 0.838 25 L CB 1.125 43.170 42.059 -0.023 0.000 1.224 25 L HN 0.523 nan 8.230 nan 0.000 0.416 26 R N 3.870 124.607 120.500 0.394 0.000 2.346 26 R HA 0.566 4.907 4.340 0.002 0.000 0.311 26 R C -0.744 175.918 176.300 0.603 0.000 0.983 26 R CA -0.679 55.689 56.100 0.446 0.000 0.880 26 R CB 2.742 33.260 30.300 0.364 0.000 1.100 26 R HN 0.481 nan 8.270 nan 0.000 0.453 27 L N 2.398 123.868 121.223 0.411 0.000 2.334 27 L HA 0.362 4.703 4.340 0.002 0.000 0.276 27 L C -0.544 176.521 176.870 0.325 0.000 1.014 27 L CA -0.572 54.365 54.840 0.161 0.000 0.815 27 L CB 2.083 44.006 42.059 -0.226 0.000 1.268 27 L HN 0.560 nan 8.230 nan 0.000 0.428 28 Q N 3.044 122.964 119.800 0.200 0.000 2.293 28 Q HA 0.506 4.848 4.340 0.002 0.000 0.261 28 Q C -1.112 174.907 176.000 0.031 0.000 0.960 28 Q CA -0.451 55.385 55.803 0.054 0.000 0.882 28 Q CB 1.842 30.590 28.738 0.017 0.000 1.275 28 Q HN 0.787 nan 8.270 nan 0.000 0.445 29 T N 0.128 114.742 114.554 0.100 0.000 2.841 29 T HA 0.448 4.800 4.350 0.002 0.000 0.296 29 T C -0.670 174.168 174.700 0.231 0.000 1.166 29 T CA -0.989 61.218 62.100 0.179 0.000 1.007 29 T CB 1.573 70.609 68.868 0.281 0.000 1.253 29 T HN 0.562 nan 8.240 nan 0.000 0.511 30 K N 0.568 121.076 120.400 0.179 0.000 2.180 30 K HA 0.224 4.545 4.320 0.002 0.000 0.251 30 K C -0.097 176.535 176.600 0.053 0.000 1.014 30 K CA -0.578 55.769 56.287 0.101 0.000 0.913 30 K CB 0.423 32.945 32.500 0.037 0.000 1.008 30 K HN 0.529 nan 8.250 nan 0.000 0.490 31 K N 2.946 123.331 120.400 -0.025 0.000 2.395 31 K HA -0.071 4.251 4.320 0.002 0.000 0.283 31 K C -0.370 176.235 176.600 0.008 0.000 1.068 31 K CA 0.674 56.947 56.287 -0.023 0.000 1.039 31 K CB -0.358 32.106 32.500 -0.059 0.000 0.924 31 K HN 0.741 nan 8.250 nan 0.000 0.468 32 N N 1.926 120.651 118.700 0.041 0.000 2.741 32 N HA -0.238 4.503 4.740 0.002 0.000 0.250 32 N C 0.145 175.693 175.510 0.064 0.000 1.115 32 N CA 0.572 53.657 53.050 0.058 0.000 0.724 32 N CB -0.528 37.975 38.487 0.028 0.000 1.090 32 N HN 0.630 nan 8.380 nan 0.000 0.558 33 D N 0.059 120.505 120.400 0.076 0.000 2.183 33 D HA 0.077 4.718 4.640 0.002 0.000 0.205 33 D C 0.093 176.431 176.300 0.064 0.000 0.962 33 D CA 0.944 54.975 54.000 0.053 0.000 0.849 33 D CB 0.545 41.369 40.800 0.039 0.000 0.978 33 D HN 0.129 nan 8.370 nan 0.000 0.488 34 V N 1.591 121.574 119.914 0.116 0.000 2.495 34 V HA 0.219 4.340 4.120 0.002 0.000 0.298 34 V C 0.557 176.736 176.094 0.141 0.000 1.031 34 V CA -0.794 61.559 62.300 0.088 0.000 0.871 34 V CB 1.932 33.762 31.823 0.011 0.000 0.988 34 V HN -0.041 nan 8.190 nan 0.000 0.432 35 D N 1.538 122.006 120.400 0.113 0.000 2.075 35 D HA -0.026 4.615 4.640 0.002 0.000 0.196 35 D C 0.359 176.708 176.300 0.081 0.000 0.985 35 D CA 1.919 56.016 54.000 0.162 0.000 0.834 35 D CB 0.192 41.149 40.800 0.262 0.000 0.987 35 D HN 0.702 nan 8.370 nan 0.000 0.452 36 H N -2.194 116.860 119.070 -0.028 0.000 2.855 36 H HA 0.649 5.207 4.556 0.002 0.000 0.363 36 H C -1.042 174.075 175.328 -0.351 0.000 1.185 36 H CA -0.860 55.113 56.048 -0.124 0.000 1.174 36 H CB 2.599 32.344 29.762 -0.028 0.000 1.857 36 H HN -0.193 nan 8.280 nan 0.000 0.565 37 V N 1.062 120.801 119.914 -0.292 0.000 2.789 37 V HA 0.320 4.441 4.120 0.002 0.000 0.300 37 V C -1.441 174.591 176.094 -0.103 0.000 1.184 37 V CA -0.441 61.663 62.300 -0.326 0.000 0.930 37 V CB 1.900 33.249 31.823 -0.791 0.000 1.041 37 V HN 0.809 nan 8.190 nan 0.000 0.430 38 E N 4.594 124.797 120.200 0.004 0.000 2.207 38 E HA 0.531 4.882 4.350 0.002 0.000 0.270 38 E C -0.931 175.706 176.600 0.061 0.000 0.927 38 E CA -0.553 55.878 56.400 0.052 0.000 0.799 38 E CB 2.215 31.949 29.700 0.058 0.000 1.172 38 E HN 0.595 nan 8.360 nan 0.000 0.404 39 L N 4.472 125.717 121.223 0.038 0.000 2.260 39 L HA 0.394 4.736 4.340 0.002 0.000 0.289 39 L C -1.121 175.792 176.870 0.071 0.000 1.057 39 L CA -0.373 54.434 54.840 -0.055 0.000 0.811 39 L CB 0.338 42.320 42.059 -0.129 0.000 1.184 39 L HN 0.586 nan 8.230 nan 0.000 0.429 40 L N 7.219 128.425 121.223 -0.028 0.000 2.275 40 L HA 0.504 4.845 4.340 0.002 0.000 0.288 40 L C -0.905 175.978 176.870 0.022 0.000 1.046 40 L CA -0.455 54.347 54.840 -0.063 0.000 0.805 40 L CB 0.958 42.855 42.059 -0.270 0.000 1.193 40 L HN 0.672 nan 8.230 nan 0.000 0.426 41 F N 3.010 122.835 119.950 -0.208 0.000 2.923 41 F HA 0.996 5.524 4.527 0.002 0.000 0.323 41 F C -0.396 175.373 175.800 -0.052 0.000 1.189 41 F CA -0.419 57.536 58.000 -0.075 0.000 0.930 41 F CB 1.062 40.038 39.000 -0.040 0.000 1.414 41 F HN 0.649 nan 8.300 nan 0.000 0.496 42 G N 0.253 109.154 108.800 0.167 0.000 2.347 42 G HA2 0.332 4.293 3.960 0.002 0.000 0.303 42 G HA3 0.332 4.293 3.960 0.002 0.000 0.303 42 G C -2.509 172.623 174.900 0.386 0.000 1.481 42 G CA -0.922 44.209 45.100 0.052 0.000 0.914 42 G HN 0.934 nan 8.290 nan 0.000 0.638 43 D N 0.816 121.411 120.400 0.325 0.000 2.383 43 D HA 0.463 5.104 4.640 0.002 0.000 0.252 43 D C -0.893 175.678 176.300 0.451 0.000 1.166 43 D CA -1.272 52.962 54.000 0.389 0.000 0.879 43 D CB 1.663 42.714 40.800 0.417 0.000 1.164 43 D HN 0.027 nan 8.370 nan 0.000 0.462 44 P HA -0.196 nan 4.420 nan 0.000 0.218 44 P C -0.068 177.177 177.300 -0.092 0.000 1.150 44 P CA 1.438 64.503 63.100 -0.058 0.000 0.841 44 P CB 0.020 31.512 31.700 -0.347 0.000 0.784 45 Y N -2.390 118.121 120.300 0.351 0.000 2.467 45 Y HA 0.262 4.813 4.550 0.002 0.000 0.250 45 Y C 0.810 176.954 175.900 0.406 0.000 1.155 45 Y CA -0.507 57.813 58.100 0.367 0.000 1.249 45 Y CB -0.437 38.142 38.460 0.199 0.000 1.146 45 Y HN -0.168 nan 8.280 nan 0.000 0.524 46 E N 1.448 121.944 120.200 0.493 0.000 1.795 46 E HA -0.025 4.326 4.350 0.002 0.000 0.261 46 E C -0.870 175.931 176.600 0.335 0.000 1.238 46 E CA 0.030 56.622 56.400 0.321 0.000 1.001 46 E CB -0.203 29.597 29.700 0.168 0.000 1.065 46 E HN 0.233 nan 8.360 nan 0.000 0.418 47 W N 3.575 125.007 121.300 0.221 0.000 2.647 47 W HA 0.458 5.119 4.660 0.002 0.000 0.353 47 W C -0.470 176.176 176.519 0.212 0.000 1.080 47 W CA -0.496 56.988 57.345 0.232 0.000 1.208 47 W CB 1.521 31.115 29.460 0.223 0.000 1.396 47 W HN 0.449 nan 8.180 nan 0.000 0.573 48 H N 1.960 121.195 119.070 0.274 0.000 3.139 48 H HA 0.037 4.595 4.556 0.003 0.000 0.325 48 H C -0.589 174.833 175.328 0.156 0.000 1.146 48 H CA -0.182 55.968 56.048 0.169 0.000 1.351 48 H CB 1.306 31.085 29.762 0.030 0.000 2.005 48 H HN 0.494 nan 8.280 nan 0.000 0.517 49 D N 2.783 123.206 120.400 0.038 0.000 2.983 49 D HA -0.178 4.464 4.640 0.002 0.000 0.225 49 D C 1.170 177.536 176.300 0.110 0.000 1.174 49 D CA 2.448 56.400 54.000 -0.081 0.000 0.831 49 D CB -1.090 39.511 40.800 -0.333 0.000 1.104 49 D HN 1.060 nan 8.370 nan 0.000 0.421 50 G N -1.990 106.996 108.800 0.310 0.000 2.162 50 G HA2 -0.043 3.919 3.960 0.002 0.000 0.260 50 G HA3 -0.043 3.919 3.960 0.002 0.000 0.260 50 G C 0.292 175.573 174.900 0.634 0.000 0.976 50 G CA 0.489 45.845 45.100 0.426 0.000 0.655 50 G HN 1.318 nan 8.290 nan 0.000 0.533 51 A N -0.846 122.183 122.820 0.348 0.000 2.343 51 A HA 0.569 4.891 4.320 0.002 0.000 0.308 51 A C -0.298 177.005 177.584 -0.467 0.000 1.092 51 A CA -0.294 51.779 52.037 0.061 0.000 0.751 51 A CB 0.751 19.764 19.000 0.021 0.000 1.203 51 A HN 1.377 nan 8.150 nan 0.000 0.452 52 W N 3.988 124.585 121.300 -1.171 0.000 2.613 52 W HA 0.126 4.787 4.660 0.002 0.000 0.342 52 W C -0.064 176.170 176.519 -0.475 0.000 1.416 52 W CA 0.327 56.918 57.345 -1.257 0.000 1.335 52 W CB 0.358 29.140 29.460 -1.129 0.000 1.396 52 W HN 0.614 nan 8.180 nan 0.000 0.572 53 Q N 6.758 126.161 119.800 -0.663 0.000 2.289 53 Q HA 0.191 4.532 4.340 0.002 0.000 0.273 53 Q C -0.588 174.825 176.000 -0.979 0.000 1.029 53 Q CA 0.164 55.580 55.803 -0.646 0.000 0.896 53 Q CB 0.492 29.039 28.738 -0.320 0.000 1.182 53 Q HN 0.489 nan 8.270 nan 0.000 0.385 54 F N -0.220 119.149 119.950 -0.968 0.000 2.654 54 F HA 0.484 5.013 4.527 0.002 0.000 0.308 54 F C -0.867 174.502 175.800 -0.718 0.000 1.108 54 F CA -1.232 56.116 58.000 -1.087 0.000 0.957 54 F CB 1.119 39.103 39.000 -1.693 0.000 1.309 54 F HN 0.377 nan 8.300 nan 0.000 0.446 55 Q N 1.151 120.676 119.800 -0.458 0.000 2.486 55 Q HA 0.716 5.057 4.340 0.002 0.000 0.274 55 Q C -1.678 174.138 176.000 -0.306 0.000 1.076 55 Q CA -0.819 54.745 55.803 -0.397 0.000 0.872 55 Q CB 1.990 30.452 28.738 -0.460 0.000 1.383 55 Q HN 0.930 nan 8.270 nan 0.000 0.478 56 T N 0.667 115.176 114.554 -0.074 0.000 3.293 56 T HA 0.496 4.848 4.350 0.002 0.000 0.320 56 T C -0.676 174.143 174.700 0.198 0.000 0.995 56 T CA -0.633 61.549 62.100 0.136 0.000 1.041 56 T CB 0.367 69.303 68.868 0.113 0.000 1.058 56 T HN 0.675 nan 8.240 nan 0.000 0.453 57 M N 4.986 124.777 119.600 0.318 0.000 2.613 57 M HA 0.866 5.348 4.480 0.002 0.000 0.301 57 M C -2.739 173.619 176.300 0.096 0.000 1.205 57 M CA -2.031 53.368 55.300 0.165 0.000 0.950 57 M CB 2.056 34.727 32.600 0.118 0.000 1.585 57 M HN 0.223 nan 8.290 nan 0.000 0.490 58 P HA 0.413 nan 4.420 nan 0.000 0.301 58 P C -1.533 175.821 177.300 0.089 0.000 1.337 58 P CA -0.476 62.674 63.100 0.083 0.000 0.889 58 P CB 1.584 33.346 31.700 0.103 0.000 1.050 59 M N 2.659 122.331 119.600 0.121 0.000 2.274 59 M HA 0.400 4.881 4.480 0.002 0.000 0.344 59 M C 1.060 177.555 176.300 0.325 0.000 1.161 59 M CA -0.413 55.002 55.300 0.192 0.000 1.126 59 M CB 1.260 34.015 32.600 0.259 0.000 1.522 59 M HN 0.319 nan 8.290 nan 0.000 0.461 60 R N 1.761 122.433 120.500 0.287 0.000 2.596 60 R HA 0.454 4.795 4.340 0.002 0.000 0.267 60 R C -0.844 175.595 176.300 0.231 0.000 1.026 60 R CA -0.897 55.362 56.100 0.264 0.000 1.087 60 R CB 1.153 31.517 30.300 0.108 0.000 1.132 60 R HN 0.620 nan 8.270 nan 0.000 0.531 61 K N 1.253 121.615 120.400 -0.064 0.000 2.285 61 K HA 0.086 4.407 4.320 0.002 0.000 0.286 61 K C -0.123 176.326 176.600 -0.252 0.000 1.072 61 K CA -0.223 55.713 56.287 -0.585 0.000 0.913 61 K CB 0.965 32.992 32.500 -0.790 0.000 1.067 61 K HN 0.807 nan 8.250 nan 0.000 0.479 62 T N 0.722 115.171 114.554 -0.175 0.000 3.223 62 T HA 0.398 4.750 4.350 0.002 0.000 0.259 62 T C 0.534 175.289 174.700 0.091 0.000 1.015 62 T CA -0.061 62.048 62.100 0.015 0.000 0.908 62 T CB 0.116 69.075 68.868 0.152 0.000 1.054 62 T HN 0.761 nan 8.240 nan 0.000 0.567 63 G N 0.662 109.444 108.800 -0.030 0.000 2.392 63 G HA2 0.369 4.330 3.960 0.002 0.000 0.677 63 G HA3 0.369 4.330 3.960 0.002 0.000 0.677 63 G C -0.816 174.101 174.900 0.028 0.000 1.334 63 G CA -0.488 44.645 45.100 0.055 0.000 0.961 63 G HN 1.436 nan 8.290 nan 0.000 0.616 64 S N -0.579 115.178 115.700 0.095 0.000 2.537 64 S HA 0.728 5.199 4.470 0.002 0.000 0.271 64 S C -0.363 174.332 174.600 0.158 0.000 1.148 64 S CA 0.221 58.516 58.200 0.158 0.000 0.868 64 S CB 2.185 65.393 63.200 0.014 0.000 1.115 64 S HN 1.403 nan 8.310 nan 0.000 0.461 65 D N 1.813 122.369 120.400 0.260 0.000 2.312 65 D HA 0.461 5.102 4.640 0.002 0.000 0.290 65 D C 1.482 177.801 176.300 0.032 0.000 1.170 65 D CA 0.043 54.137 54.000 0.158 0.000 1.085 65 D CB -0.720 40.252 40.800 0.286 0.000 1.154 65 D HN 0.735 nan 8.370 nan 0.000 0.535 66 G N -1.713 107.070 108.800 -0.028 0.000 3.141 66 G HA2 0.288 4.249 3.960 0.002 0.000 0.218 66 G HA3 0.288 4.249 3.960 0.002 0.000 0.218 66 G C 0.773 175.576 174.900 -0.161 0.000 1.170 66 G CA 0.093 45.139 45.100 -0.089 0.000 0.769 66 G HN 0.301 nan 8.290 nan 0.000 0.546 67 L N -2.084 118.997 121.223 -0.236 0.000 2.598 67 L HA 0.444 4.786 4.340 0.002 0.000 0.205 67 L C 0.035 176.581 176.870 -0.541 0.000 1.054 67 L CA -0.251 54.283 54.840 -0.510 0.000 0.934 67 L CB 0.166 41.660 42.059 -0.941 0.000 1.704 67 L HN -0.060 nan 8.230 nan 0.000 0.491 68 F N 0.301 120.219 119.950 -0.054 0.000 2.450 68 F HA 0.493 5.021 4.527 0.002 0.000 0.328 68 F C -0.254 175.351 175.800 -0.326 0.000 1.068 68 F CA -0.838 57.032 58.000 -0.217 0.000 1.007 68 F CB 0.611 39.382 39.000 -0.382 0.000 1.251 68 F HN -0.186 nan 8.300 nan 0.000 0.492 69 D N -0.836 119.438 120.400 -0.211 0.000 2.269 69 D HA 0.443 5.085 4.640 0.002 0.000 0.244 69 D C -1.526 174.369 176.300 -0.675 0.000 0.992 69 D CA -0.238 53.566 54.000 -0.327 0.000 0.894 69 D CB 1.294 41.970 40.800 -0.206 0.000 1.248 69 D HN 0.271 nan 8.370 nan 0.000 0.468 70 Y N 0.204 120.220 120.300 -0.473 0.000 2.391 70 Y HA 0.528 5.080 4.550 0.002 0.000 0.341 70 Y C -0.855 174.745 175.900 -0.502 0.000 0.965 70 Y CA -0.894 56.968 58.100 -0.397 0.000 1.067 70 Y CB 1.331 39.384 38.460 -0.679 0.000 1.199 70 Y HN 0.287 nan 8.280 nan 0.000 0.450 71 W N 4.996 126.379 121.300 0.138 0.000 2.587 71 W HA 0.658 5.320 4.660 0.002 0.000 0.324 71 W C -1.180 175.427 176.519 0.145 0.000 1.040 71 W CA -0.718 56.699 57.345 0.120 0.000 1.222 71 W CB 1.340 30.855 29.460 0.091 0.000 1.381 71 W HN 0.274 nan 8.180 nan 0.000 0.483 72 L N 3.098 124.494 121.223 0.289 0.000 2.330 72 L HA 0.948 5.289 4.340 0.002 0.000 0.271 72 L C -0.605 176.306 176.870 0.068 0.000 1.013 72 L CA -0.886 54.041 54.840 0.145 0.000 0.816 72 L CB 1.675 43.763 42.059 0.048 0.000 1.287 72 L HN 0.520 nan 8.230 nan 0.000 0.435 73 A N 3.447 126.226 122.820 -0.067 0.000 2.402 73 A HA 0.610 4.931 4.320 0.002 0.000 0.291 73 A C -1.116 176.264 177.584 -0.340 0.000 1.051 73 A CA -0.534 51.413 52.037 -0.151 0.000 0.716 73 A CB 0.758 19.697 19.000 -0.103 0.000 1.223 73 A HN 0.727 nan 8.150 nan 0.000 0.425 74 E N 1.168 121.148 120.200 -0.365 0.000 2.109 74 E HA 0.497 4.849 4.350 0.002 0.000 0.278 74 E C -1.159 175.242 176.600 -0.331 0.000 0.954 74 E CA -0.380 55.761 56.400 -0.432 0.000 0.779 74 E CB 2.144 31.611 29.700 -0.390 0.000 1.093 74 E HN 0.425 nan 8.360 nan 0.000 0.401 75 V N 3.467 123.176 119.914 -0.341 0.000 3.007 75 V HA 0.392 4.513 4.120 0.002 0.000 0.311 75 V C -1.604 174.339 176.094 -0.252 0.000 1.120 75 V CA -0.775 61.315 62.300 -0.351 0.000 0.980 75 V CB 2.184 33.661 31.823 -0.576 0.000 1.033 75 V HN 0.560 nan 8.190 nan 0.000 0.429 76 K N 5.448 125.738 120.400 -0.183 0.000 2.464 76 K HA 0.472 4.793 4.320 0.002 0.000 0.252 76 K C -2.751 173.794 176.600 -0.092 0.000 1.000 76 K CA -1.603 54.609 56.287 -0.125 0.000 0.951 76 K CB 1.593 34.044 32.500 -0.083 0.000 1.183 76 K HN 0.423 nan 8.250 nan 0.000 0.445 77 P HA -0.008 nan 4.420 nan 0.000 0.260 77 P C -2.068 175.199 177.300 -0.054 0.000 1.185 77 P CA -0.871 62.214 63.100 -0.025 0.000 0.763 77 P CB 0.394 32.068 31.700 -0.042 0.000 0.776 78 P HA -0.176 nan 4.420 nan 0.000 0.215 78 P C -0.058 176.964 177.300 -0.463 0.000 1.163 78 P CA 1.656 64.594 63.100 -0.269 0.000 0.894 78 P CB -0.130 31.429 31.700 -0.235 0.000 0.791 79 Y N -1.207 119.129 120.300 0.060 0.000 2.724 79 Y HA 0.344 4.895 4.550 0.002 0.000 0.370 79 Y C 0.797 176.692 175.900 -0.007 0.000 0.978 79 Y CA -0.568 57.572 58.100 0.067 0.000 1.443 79 Y CB -0.344 38.198 38.460 0.136 0.000 1.386 79 Y HN -0.178 nan 8.280 nan 0.000 0.557 80 R N 0.391 120.836 120.500 -0.092 0.000 4.012 80 R HA -0.253 4.088 4.340 0.002 0.000 0.355 80 R C 0.170 176.226 176.300 -0.406 0.000 1.225 80 R CA 1.448 57.298 56.100 -0.416 0.000 1.149 80 R CB -0.896 28.820 30.300 -0.974 0.000 1.603 80 R HN 0.476 nan 8.270 nan 0.000 0.574 81 R N 0.946 121.437 120.500 -0.015 0.000 2.698 81 R HA 0.689 5.031 4.340 0.002 0.000 0.275 81 R C -1.182 175.255 176.300 0.228 0.000 1.001 81 R CA -0.853 55.345 56.100 0.163 0.000 0.896 81 R CB 1.726 32.236 30.300 0.350 0.000 1.218 81 R HN 0.125 nan 8.270 nan 0.000 0.462 82 L N 0.483 121.857 121.223 0.251 0.000 2.556 82 L HA 0.631 4.973 4.340 0.002 0.000 0.257 82 L C -1.475 175.580 176.870 0.309 0.000 0.955 82 L CA -0.944 54.052 54.840 0.261 0.000 0.850 82 L CB 2.319 44.494 42.059 0.194 0.000 1.398 82 L HN 0.623 nan 8.230 nan 0.000 0.412 83 R N 2.569 123.259 120.500 0.317 0.000 2.668 83 R HA 0.674 5.016 4.340 0.002 0.000 0.279 83 R C -1.747 174.804 176.300 0.419 0.000 0.976 83 R CA -0.500 55.769 56.100 0.283 0.000 0.978 83 R CB 1.942 32.192 30.300 -0.085 0.000 1.133 83 R HN 0.734 nan 8.270 nan 0.000 0.484 84 Y N -2.762 117.572 120.300 0.057 0.000 2.565 84 Y HA 0.689 5.240 4.550 0.002 0.000 0.330 84 Y C -0.850 175.048 175.900 -0.002 0.000 1.150 84 Y CA -1.420 56.660 58.100 -0.033 0.000 1.055 84 Y CB 1.043 39.450 38.460 -0.088 0.000 1.337 84 Y HN 0.685 nan 8.280 nan 0.000 0.457 85 G N 1.175 109.851 108.800 -0.205 0.000 2.680 85 G HA2 0.697 4.658 3.960 0.002 0.000 0.290 85 G HA3 0.697 4.658 3.960 0.002 0.000 0.290 85 G C -2.347 172.337 174.900 -0.358 0.000 1.355 85 G CA -1.080 43.965 45.100 -0.092 0.000 0.903 85 G HN 0.447 nan 8.290 nan 0.000 0.474 86 F N -0.327 119.691 119.950 0.112 0.000 2.508 86 F HA 0.601 5.129 4.527 0.002 0.000 0.325 86 F C 0.065 175.932 175.800 0.111 0.000 1.090 86 F CA -0.917 57.145 58.000 0.104 0.000 0.945 86 F CB 2.710 41.794 39.000 0.139 0.000 1.156 86 F HN 0.183 nan 8.300 nan 0.000 0.463 87 V N 4.519 124.564 119.914 0.220 0.000 2.376 87 V HA 0.429 4.550 4.120 0.002 0.000 0.287 87 V C -0.575 175.571 176.094 0.087 0.000 1.015 87 V CA -0.759 61.627 62.300 0.143 0.000 0.834 87 V CB 1.406 33.283 31.823 0.089 0.000 1.001 87 V HN 0.613 nan 8.190 nan 0.000 0.428 88 L N 2.822 124.089 121.223 0.073 0.000 2.324 88 L HA 0.707 5.048 4.340 0.002 0.000 0.274 88 L C -0.072 176.796 176.870 -0.003 0.000 1.012 88 L CA -0.728 54.104 54.840 -0.014 0.000 0.859 88 L CB 0.937 42.959 42.059 -0.062 0.000 1.224 88 L HN 0.434 nan 8.230 nan 0.000 0.429 89 R N 3.190 123.692 120.500 0.003 0.000 2.210 89 R HA 0.639 4.980 4.340 0.002 0.000 0.338 89 R C -0.182 176.137 176.300 0.032 0.000 1.062 89 R CA -0.116 55.994 56.100 0.017 0.000 0.902 89 R CB 1.377 31.683 30.300 0.010 0.000 1.050 89 R HN 0.820 nan 8.270 nan 0.000 0.461 90 A N 3.011 125.845 122.820 0.022 0.000 2.360 90 A HA 0.635 4.956 4.320 0.002 0.000 0.309 90 A C 0.661 178.264 177.584 0.031 0.000 1.311 90 A CA 0.011 52.069 52.037 0.035 0.000 0.805 90 A CB 0.722 19.730 19.000 0.013 0.000 1.144 90 A HN 0.864 nan 8.150 nan 0.000 0.486 91 G N 2.044 110.871 108.800 0.045 0.000 2.514 91 G HA2 -0.022 3.940 3.960 0.002 0.000 0.265 91 G HA3 -0.022 3.940 3.960 0.002 0.000 0.265 91 G C 1.152 176.066 174.900 0.023 0.000 1.150 91 G CA 0.429 45.549 45.100 0.033 0.000 0.959 91 G HN 1.772 nan 8.290 nan 0.000 0.556 92 G N 0.358 109.169 108.800 0.018 0.000 2.683 92 G HA2 0.376 4.338 3.960 0.002 0.000 0.213 92 G HA3 0.376 4.338 3.960 0.002 0.000 0.213 92 G C 0.660 175.573 174.900 0.021 0.000 1.142 92 G CA 1.229 46.339 45.100 0.017 0.000 0.793 92 G HN 0.829 nan 8.290 nan 0.000 0.534 93 E N 0.502 120.713 120.200 0.019 0.000 2.383 93 E HA 0.341 4.692 4.350 0.002 0.000 0.264 93 E C -0.458 176.156 176.600 0.022 0.000 1.050 93 E CA -0.307 56.105 56.400 0.021 0.000 0.896 93 E CB 0.524 30.225 29.700 0.002 0.000 0.982 93 E HN -0.107 nan 8.360 nan 0.000 0.424 94 K N 4.680 125.100 120.400 0.034 0.000 2.652 94 K HA 0.243 4.564 4.320 0.002 0.000 0.249 94 K C -1.954 174.669 176.600 0.040 0.000 0.986 94 K CA -0.630 55.680 56.287 0.039 0.000 0.867 94 K CB 0.638 33.169 32.500 0.052 0.000 1.201 94 K HN 0.348 nan 8.250 nan 0.000 0.450 95 L N 2.410 123.655 121.223 0.037 0.000 2.313 95 L HA 0.589 4.930 4.340 0.002 0.000 0.268 95 L C -0.590 176.381 176.870 0.168 0.000 1.010 95 L CA -0.970 53.911 54.840 0.069 0.000 0.814 95 L CB 2.076 44.157 42.059 0.036 0.000 1.304 95 L HN 0.294 nan 8.230 nan 0.000 0.441 96 V N 1.677 121.736 119.914 0.242 0.000 2.398 96 V HA 0.244 4.365 4.120 0.002 0.000 0.282 96 V C -1.280 175.000 176.094 0.310 0.000 1.014 96 V CA -0.707 61.738 62.300 0.241 0.000 0.838 96 V CB 1.130 33.043 31.823 0.150 0.000 1.018 96 V HN 0.509 nan 8.190 nan 0.000 0.432 97 Y N 5.337 125.757 120.300 0.200 0.000 2.365 97 Y HA 0.639 5.190 4.550 0.002 0.000 0.340 97 Y C 0.564 176.459 175.900 -0.007 0.000 1.016 97 Y CA -0.425 57.667 58.100 -0.013 0.000 1.196 97 Y CB 1.054 39.588 38.460 0.122 0.000 1.167 97 Y HN 0.757 nan 8.280 nan 0.000 0.509 98 T N 1.077 115.315 114.554 -0.527 0.000 2.887 98 T HA 0.275 4.627 4.350 0.002 0.000 0.292 98 T C 0.709 174.590 174.700 -1.364 0.000 1.087 98 T CA -0.730 60.810 62.100 -0.934 0.000 1.009 98 T CB 1.602 69.928 68.868 -0.903 0.000 1.203 98 T HN 0.696 nan 8.240 nan 0.000 0.518 99 E N 0.073 119.088 120.200 -1.976 0.000 2.160 99 E HA -0.175 4.176 4.350 0.002 0.000 0.195 99 E C 1.579 177.792 176.600 -0.645 0.000 0.991 99 E CA 1.077 56.634 56.400 -1.406 0.000 0.810 99 E CB 0.018 29.054 29.700 -1.106 0.000 0.742 99 E HN 0.532 nan 8.360 nan 0.000 0.466 100 K N -0.639 119.408 120.400 -0.588 0.000 2.366 100 K HA 0.091 4.412 4.320 0.002 0.000 0.198 100 K C 0.215 176.733 176.600 -0.135 0.000 1.044 100 K CA 0.716 56.822 56.287 -0.302 0.000 0.973 100 K CB 0.771 33.120 32.500 -0.252 0.000 0.767 100 K HN 0.286 nan 8.250 nan 0.000 0.475 101 G N -1.518 107.137 108.800 -0.242 0.000 2.332 101 G HA2 0.076 4.038 3.960 0.002 0.000 0.265 101 G HA3 0.076 4.038 3.960 0.002 0.000 0.265 101 G C -1.652 173.181 174.900 -0.112 0.000 1.329 101 G CA -1.021 44.054 45.100 -0.041 0.000 0.949 101 G HN -0.050 nan 8.290 nan 0.000 0.476 102 F N 0.683 120.848 119.950 0.359 0.000 2.444 102 F HA 0.786 5.314 4.527 0.002 0.000 0.342 102 F C -0.672 175.389 175.800 0.435 0.000 1.121 102 F CA -0.561 57.614 58.000 0.292 0.000 0.997 102 F CB 1.945 41.007 39.000 0.104 0.000 1.130 102 F HN 0.336 nan 8.300 nan 0.000 0.454 103 Y N 1.384 121.725 120.300 0.069 0.000 2.442 103 Y HA 0.267 4.818 4.550 0.002 0.000 0.344 103 Y C 0.715 176.591 175.900 -0.040 0.000 0.976 103 Y CA -1.672 56.420 58.100 -0.014 0.000 1.040 103 Y CB 1.108 39.519 38.460 -0.083 0.000 1.228 103 Y HN 0.547 nan 8.280 nan 0.000 0.451 104 H N -0.301 118.855 119.070 0.143 0.000 2.543 104 H HA 0.031 4.588 4.556 0.002 0.000 0.286 104 H C 0.194 175.581 175.328 0.098 0.000 1.037 104 H CA 1.120 57.226 56.048 0.096 0.000 1.250 104 H CB 0.347 30.133 29.762 0.041 0.000 1.373 104 H HN 0.403 nan 8.280 nan 0.000 0.580 105 E N -0.392 119.936 120.200 0.212 0.000 2.392 105 E HA 0.528 4.879 4.350 0.002 0.000 0.279 105 E C -1.180 175.504 176.600 0.140 0.000 0.964 105 E CA -0.865 55.629 56.400 0.158 0.000 0.777 105 E CB 1.066 30.845 29.700 0.131 0.000 1.249 105 E HN 0.063 nan 8.360 nan 0.000 0.449 106 A N 4.416 127.319 122.820 0.138 0.000 2.473 106 A HA 0.428 4.750 4.320 0.002 0.000 0.282 106 A C -2.125 175.540 177.584 0.135 0.000 1.163 106 A CA -0.814 51.311 52.037 0.146 0.000 0.827 106 A CB -0.746 18.384 19.000 0.216 0.000 1.098 106 A HN 0.365 nan 8.150 nan 0.000 0.515 107 P HA 0.159 nan 4.420 nan 0.000 0.269 107 P C 0.644 178.058 177.300 0.190 0.000 1.209 107 P CA 0.127 63.130 63.100 -0.161 0.000 0.776 107 P CB 1.183 32.235 31.700 -1.081 0.000 0.876 108 S N 0.585 116.441 115.700 0.259 0.000 2.817 108 S HA 0.005 4.476 4.470 0.002 0.000 0.262 108 S C 1.025 175.831 174.600 0.343 0.000 1.051 108 S CA -0.081 58.348 58.200 0.381 0.000 1.185 108 S CB -0.290 63.097 63.200 0.312 0.000 1.152 108 S HN 0.513 nan 8.310 nan 0.000 0.653 109 D N 0.817 121.434 120.400 0.362 0.000 2.269 109 D HA 0.059 4.700 4.640 0.002 0.000 0.208 109 D C 0.312 176.933 176.300 0.534 0.000 0.963 109 D CA 0.723 54.969 54.000 0.410 0.000 0.864 109 D CB -0.074 40.918 40.800 0.320 0.000 0.936 109 D HN 0.311 nan 8.370 nan 0.000 0.505 110 D N -1.567 119.127 120.400 0.489 0.000 2.753 110 D HA 0.169 4.810 4.640 0.002 0.000 0.224 110 D C 0.676 177.107 176.300 0.219 0.000 1.213 110 D CA -0.193 54.037 54.000 0.383 0.000 0.833 110 D CB 2.118 42.964 40.800 0.077 0.000 1.607 110 D HN -0.095 nan 8.370 nan 0.000 0.463 111 T N -0.362 114.230 114.554 0.063 0.000 3.014 111 T HA 0.106 4.457 4.350 0.002 0.000 0.263 111 T C 1.914 176.500 174.700 -0.191 0.000 1.078 111 T CA 0.818 62.771 62.100 -0.245 0.000 1.135 111 T CB -0.122 68.490 68.868 -0.426 0.000 0.895 111 T HN 0.380 nan 8.240 nan 0.000 0.480 112 A N 1.145 123.824 122.820 -0.235 0.000 2.009 112 A HA -0.193 4.129 4.320 0.002 0.000 0.222 112 A C 2.006 179.318 177.584 -0.452 0.000 1.175 112 A CA 1.732 53.569 52.037 -0.334 0.000 0.651 112 A CB -1.343 17.434 19.000 -0.372 0.000 0.815 112 A HN 0.631 nan 8.150 nan 0.000 0.459 113 Y N -1.727 118.269 120.300 -0.506 0.000 2.224 113 Y HA -0.099 4.452 4.550 0.002 0.000 0.289 113 Y C 0.865 176.153 175.900 -1.019 0.000 1.146 113 Y CA 0.851 58.454 58.100 -0.828 0.000 1.182 113 Y CB -0.667 37.102 38.460 -1.153 0.000 0.983 113 Y HN 0.387 nan 8.280 nan 0.000 0.524 114 Y N -1.158 118.900 120.300 -0.403 0.000 2.316 114 Y HA 0.294 4.845 4.550 0.003 0.000 0.324 114 Y C 0.124 175.694 175.900 -0.551 0.000 1.267 114 Y CA -1.924 55.846 58.100 -0.549 0.000 1.311 114 Y CB 0.031 38.226 38.460 -0.441 0.000 1.267 114 Y HN -0.253 nan 8.280 nan 0.000 0.516 115 F N 0.311 120.050 119.950 -0.351 0.000 2.485 115 F HA 0.312 4.841 4.527 0.002 0.000 0.327 115 F C 0.510 176.240 175.800 -0.116 0.000 1.203 115 F CA -0.302 57.467 58.000 -0.385 0.000 1.295 115 F CB 0.371 38.860 39.000 -0.853 0.000 1.191 115 F HN 0.390 nan 8.300 nan 0.000 0.588 116 C N 3.320 122.852 119.300 0.386 0.000 2.608 116 C HA 0.560 5.021 4.460 0.002 0.000 0.325 116 C C -1.221 174.052 174.990 0.472 0.000 1.147 116 C CA -1.049 58.229 59.018 0.433 0.000 1.359 116 C CB -0.116 27.732 27.740 0.180 0.000 1.912 116 C HN 0.666 nan 8.230 nan 0.000 0.466 117 F N 8.455 128.596 119.950 0.318 0.000 2.307 117 F HA 0.480 5.008 4.527 0.002 0.000 0.369 117 F C -1.714 174.181 175.800 0.158 0.000 1.076 117 F CA -2.116 55.995 58.000 0.185 0.000 1.149 117 F CB 0.829 39.850 39.000 0.034 0.000 1.410 117 F HN 0.496 nan 8.300 nan 0.000 0.481 118 P HA -0.260 nan 4.420 nan 0.000 0.224 118 P C -0.463 177.032 177.300 0.326 0.000 0.880 118 P CA 1.522 64.728 63.100 0.177 0.000 1.070 118 P CB 0.120 31.872 31.700 0.087 0.000 0.652 119 F N -1.224 118.799 119.950 0.122 0.000 2.480 119 F HA 0.466 4.994 4.527 0.002 0.000 0.329 119 F C -0.284 175.635 175.800 0.198 0.000 1.091 119 F CA -0.982 57.080 58.000 0.104 0.000 0.972 119 F CB 1.014 39.960 39.000 -0.091 0.000 1.150 119 F HN -0.158 nan 8.300 nan 0.000 0.467 120 L N 6.883 128.032 121.223 -0.124 0.000 2.302 120 L HA 0.298 4.639 4.340 0.002 0.000 0.285 120 L C -0.678 176.223 176.870 0.052 0.000 1.090 120 L CA -0.204 54.722 54.840 0.144 0.000 0.866 120 L CB -0.511 41.510 42.059 -0.064 0.000 1.244 120 L HN 0.527 nan 8.230 nan 0.000 0.435 121 H N 3.860 123.128 119.070 0.330 0.000 2.481 121 H HA 0.165 4.722 4.556 0.002 0.000 0.339 121 H C 0.375 175.831 175.328 0.213 0.000 1.131 121 H CA -0.202 56.035 56.048 0.315 0.000 1.301 121 H CB 1.953 31.889 29.762 0.290 0.000 1.476 121 H HN 0.643 nan 8.280 nan 0.000 0.529 122 R N 2.257 122.951 120.500 0.322 0.000 2.161 122 R HA -0.050 4.292 4.340 0.002 0.000 0.213 122 R C 1.702 178.108 176.300 0.177 0.000 1.055 122 R CA 0.651 56.874 56.100 0.205 0.000 0.996 122 R CB 0.076 30.475 30.300 0.165 0.000 0.901 122 R HN 0.403 nan 8.270 nan 0.000 0.456 123 V N 1.032 121.058 119.914 0.186 0.000 2.453 123 V HA -0.138 3.984 4.120 0.002 0.000 0.247 123 V C 0.952 177.111 176.094 0.108 0.000 1.048 123 V CA 2.005 64.373 62.300 0.114 0.000 1.049 123 V CB -0.057 31.806 31.823 0.068 0.000 0.672 123 V HN 0.298 nan 8.190 nan 0.000 0.457 124 D N 0.274 120.767 120.400 0.155 0.000 2.269 124 D HA 0.005 4.646 4.640 0.002 0.000 0.208 124 D C 1.032 177.442 176.300 0.183 0.000 0.963 124 D CA 0.247 54.340 54.000 0.155 0.000 0.864 124 D CB -0.330 40.587 40.800 0.196 0.000 0.936 124 D HN 0.414 nan 8.370 nan 0.000 0.505 125 L N 0.883 122.223 121.223 0.195 0.000 2.554 125 L HA -0.060 4.282 4.340 0.002 0.000 0.293 125 L C -0.408 176.573 176.870 0.184 0.000 1.252 125 L CA 0.244 55.202 54.840 0.197 0.000 0.862 125 L CB 0.039 42.189 42.059 0.152 0.000 1.113 125 L HN -0.180 nan 8.230 nan 0.000 0.510 126 F N 4.999 124.976 119.950 0.046 0.000 2.391 126 F HA 0.441 4.970 4.527 0.002 0.000 0.359 126 F C -0.376 175.405 175.800 -0.032 0.000 1.122 126 F CA -0.235 57.769 58.000 0.007 0.000 1.120 126 F CB 0.435 39.423 39.000 -0.020 0.000 1.142 126 F HN 0.561 nan 8.300 nan 0.000 0.483 127 Q N 6.006 125.769 119.800 -0.061 0.000 2.294 127 Q HA 0.662 5.003 4.340 0.002 0.000 0.264 127 Q C -1.069 174.875 176.000 -0.094 0.000 0.992 127 Q CA -0.992 54.812 55.803 0.002 0.000 0.747 127 Q CB 1.922 30.660 28.738 0.000 0.000 1.262 127 Q HN 0.722 nan 8.270 nan 0.000 0.452 128 A N 3.067 125.889 122.820 0.004 0.000 2.306 128 A HA 0.736 5.057 4.320 0.002 0.000 0.330 128 A C -2.368 175.215 177.584 -0.002 0.000 1.146 128 A CA -1.777 50.258 52.037 -0.004 0.000 0.827 128 A CB 0.142 19.206 19.000 0.106 0.000 1.178 128 A HN 0.427 nan 8.150 nan 0.000 0.490 129 P HA -0.060 nan 4.420 nan 0.000 0.253 129 P C 0.088 177.259 177.300 -0.215 0.000 1.159 129 P CA 0.793 63.834 63.100 -0.099 0.000 0.779 129 P CB 0.367 31.932 31.700 -0.226 0.000 0.745 130 D N 4.099 124.482 120.400 -0.028 0.000 2.190 130 D HA -0.192 4.449 4.640 0.002 0.000 0.200 130 D C 1.409 177.716 176.300 0.010 0.000 0.992 130 D CA 1.257 55.261 54.000 0.005 0.000 0.854 130 D CB -0.162 40.684 40.800 0.076 0.000 0.936 130 D HN 0.526 nan 8.370 nan 0.000 0.462 131 W N 0.809 122.124 121.300 0.026 0.000 2.388 131 W HA -0.109 4.553 4.660 0.002 0.000 0.294 131 W C 1.870 178.376 176.519 -0.023 0.000 1.212 131 W CA 1.341 58.684 57.345 -0.003 0.000 1.271 131 W CB -1.492 27.962 29.460 -0.010 0.000 1.126 131 W HN -0.005 nan 8.180 nan 0.000 0.535 132 V N 1.009 120.479 119.914 -0.740 0.000 2.546 132 V HA -0.260 3.861 4.120 0.002 0.000 0.254 132 V C 2.232 178.219 176.094 -0.178 0.000 1.076 132 V CA 2.116 64.059 62.300 -0.595 0.000 1.087 132 V CB -1.029 30.179 31.823 -1.026 0.000 0.674 132 V HN 0.135 nan 8.190 nan 0.000 0.470 133 K N 0.196 120.520 120.400 -0.128 0.000 2.360 133 K HA -0.106 4.216 4.320 0.002 0.000 0.201 133 K C 1.254 177.853 176.600 -0.002 0.000 1.046 133 K CA 1.486 57.752 56.287 -0.036 0.000 0.945 133 K CB -0.167 32.323 32.500 -0.018 0.000 0.750 133 K HN 0.624 nan 8.250 nan 0.000 0.464 134 D N -0.013 120.397 120.400 0.018 0.000 2.474 134 D HA -0.026 4.616 4.640 0.002 0.000 0.213 134 D C 0.733 177.032 176.300 -0.001 0.000 1.120 134 D CA 0.297 54.310 54.000 0.021 0.000 0.836 134 D CB 0.678 41.502 40.800 0.041 0.000 1.019 134 D HN 0.186 nan 8.370 nan 0.000 0.507 135 T N -0.695 113.850 114.554 -0.015 0.000 2.874 135 T HA 0.451 4.802 4.350 0.002 0.000 0.281 135 T C 0.086 174.687 174.700 -0.166 0.000 0.994 135 T CA -0.488 61.532 62.100 -0.134 0.000 1.015 135 T CB 1.920 70.623 68.868 -0.275 0.000 1.028 135 T HN -0.230 nan 8.240 nan 0.000 0.523 136 V N 2.079 121.860 119.914 -0.222 0.000 2.376 136 V HA 0.403 4.525 4.120 0.002 0.000 0.287 136 V C -0.721 175.314 176.094 -0.099 0.000 1.015 136 V CA -1.296 60.947 62.300 -0.094 0.000 0.834 136 V CB 0.343 32.135 31.823 -0.052 0.000 1.001 136 V HN 0.951 nan 8.190 nan 0.000 0.428 137 W N 3.141 124.511 121.300 0.116 0.000 2.215 137 W HA 0.588 5.249 4.660 0.002 0.000 0.342 137 W C -0.438 176.254 176.519 0.289 0.000 1.237 137 W CA -0.202 57.279 57.345 0.226 0.000 1.283 137 W CB 0.676 30.320 29.460 0.308 0.000 1.131 137 W HN 0.601 nan 8.180 nan 0.000 0.606 138 Y N 2.288 122.857 120.300 0.449 0.000 2.315 138 Y HA 0.197 4.748 4.550 0.002 0.000 0.324 138 Y C -0.404 175.695 175.900 0.332 0.000 1.062 138 Y CA -1.357 56.932 58.100 0.315 0.000 1.159 138 Y CB 0.905 39.484 38.460 0.199 0.000 1.145 138 Y HN 0.469 nan 8.280 nan 0.000 0.442 139 Q N 7.202 127.033 119.800 0.053 0.000 2.267 139 Q HA 0.541 4.882 4.340 0.002 0.000 0.255 139 Q C -0.820 175.053 176.000 -0.210 0.000 0.923 139 Q CA -0.622 55.172 55.803 -0.014 0.000 0.925 139 Q CB 0.763 29.575 28.738 0.124 0.000 1.195 139 Q HN 0.804 nan 8.270 nan 0.000 0.417 140 I N 1.791 122.190 120.570 -0.286 0.000 2.698 140 I HA 0.318 4.489 4.170 0.002 0.000 0.276 140 I C -0.843 175.043 176.117 -0.384 0.000 1.166 140 I CA -1.022 60.002 61.300 -0.461 0.000 1.101 140 I CB 0.426 37.919 38.000 -0.846 0.000 1.305 140 I HN 0.585 nan 8.210 nan 0.000 0.526 141 F N 8.551 128.266 119.950 -0.391 0.000 2.327 141 F HA 0.099 4.628 4.527 0.002 0.000 0.340 141 F C -1.214 174.389 175.800 -0.327 0.000 1.125 141 F CA -0.683 57.154 58.000 -0.270 0.000 0.910 141 F CB 0.096 39.083 39.000 -0.021 0.000 0.934 141 F HN 0.428 nan 8.300 nan 0.000 0.548 142 P HA -0.330 nan 4.420 nan 0.000 0.222 142 P C 1.651 178.778 177.300 -0.289 0.000 1.159 142 P CA 1.883 64.774 63.100 -0.349 0.000 0.920 142 P CB 0.148 31.546 31.700 -0.503 0.000 0.793 143 E N -0.650 119.417 120.200 -0.220 0.000 2.065 143 E HA -0.210 4.141 4.350 0.002 0.000 0.201 143 E C 1.432 178.132 176.600 0.165 0.000 1.016 143 E CA 1.364 57.784 56.400 0.034 0.000 0.818 143 E CB -0.280 29.601 29.700 0.303 0.000 0.749 143 E HN 0.138 nan 8.360 nan 0.000 0.453 144 R N -0.479 120.168 120.500 0.246 0.000 2.449 144 R HA 0.076 4.417 4.340 0.002 0.000 0.262 144 R C 1.466 177.756 176.300 -0.017 0.000 1.006 144 R CA -0.168 55.987 56.100 0.092 0.000 1.104 144 R CB -0.602 29.736 30.300 0.064 0.000 1.206 144 R HN 0.167 nan 8.270 nan 0.000 0.538 145 F N 0.678 120.517 119.950 -0.185 0.000 2.208 145 F HA 0.427 4.955 4.527 0.002 0.000 0.282 145 F C 0.167 176.067 175.800 0.166 0.000 1.071 145 F CA 0.093 58.005 58.000 -0.147 0.000 1.228 145 F CB 0.313 39.208 39.000 -0.176 0.000 1.088 145 F HN -0.025 nan 8.300 nan 0.000 0.512 146 A N 0.390 123.249 122.820 0.064 0.000 2.540 146 A HA 0.324 4.645 4.320 0.002 0.000 0.297 146 A C -1.339 176.265 177.584 0.032 0.000 1.056 146 A CA -0.640 51.373 52.037 -0.040 0.000 0.700 146 A CB 0.261 19.089 19.000 -0.287 0.000 1.280 146 A HN 0.345 nan 8.150 nan 0.000 0.398 147 N N 1.970 120.687 118.700 0.028 0.000 2.437 147 N HA 0.454 5.196 4.740 0.002 0.000 0.243 147 N C 0.793 176.307 175.510 0.006 0.000 1.041 147 N CA 0.250 53.320 53.050 0.033 0.000 0.940 147 N CB 0.767 39.290 38.487 0.060 0.000 1.133 147 N HN 0.792 nan 8.380 nan 0.000 0.506 148 G N 2.590 111.389 108.800 -0.001 0.000 3.286 148 G HA2 -0.077 3.884 3.960 0.002 0.000 0.173 148 G HA3 -0.077 3.884 3.960 0.002 0.000 0.173 148 G C 0.078 174.976 174.900 -0.004 0.000 1.704 148 G CA -0.299 44.787 45.100 -0.023 0.000 1.041 148 G HN 0.670 nan 8.290 nan 0.000 0.561 149 N N 1.418 120.119 118.700 0.002 0.000 2.359 149 N HA 0.134 4.876 4.740 0.002 0.000 0.261 149 N C -2.420 173.109 175.510 0.031 0.000 1.267 149 N CA -0.648 52.411 53.050 0.016 0.000 0.864 149 N CB 0.910 39.410 38.487 0.022 0.000 1.063 149 N HN -0.110 nan 8.380 nan 0.000 0.474 150 P HA 0.157 nan 4.420 nan 0.000 0.230 150 P C -1.019 176.315 177.300 0.056 0.000 1.791 150 P CA 0.000 63.127 63.100 0.045 0.000 1.020 150 P CB 0.240 31.962 31.700 0.037 0.000 1.977 151 A N 2.499 125.362 122.820 0.072 0.000 2.640 151 A HA 0.223 4.544 4.320 0.002 0.000 0.282 151 A C 0.810 178.484 177.584 0.151 0.000 1.357 151 A CA -0.444 51.645 52.037 0.087 0.000 0.946 151 A CB -0.901 18.145 19.000 0.076 0.000 1.065 151 A HN 0.428 nan 8.150 nan 0.000 0.541 152 I N -2.323 118.327 120.570 0.133 0.000 2.970 152 I HA 0.549 4.720 4.170 0.002 0.000 0.310 152 I C 0.455 176.624 176.117 0.086 0.000 1.010 152 I CA -0.669 60.709 61.300 0.130 0.000 1.228 152 I CB 1.211 39.254 38.000 0.072 0.000 1.433 152 I HN 0.173 nan 8.210 nan 0.000 0.573 153 S N 2.090 117.700 115.700 -0.151 0.000 2.632 153 S HA 0.439 4.910 4.470 0.002 0.000 0.267 153 S C -2.251 172.256 174.600 -0.154 0.000 1.276 153 S CA -1.079 56.921 58.200 -0.333 0.000 0.998 153 S CB 0.304 62.934 63.200 -0.950 0.000 0.953 153 S HN 0.689 nan 8.310 nan 0.000 0.547 154 P HA 0.532 nan 4.420 nan 0.000 0.284 154 P C -0.710 176.580 177.300 -0.017 0.000 1.343 154 P CA -0.143 62.934 63.100 -0.038 0.000 0.826 154 P CB 0.268 31.957 31.700 -0.018 0.000 0.956 155 K N 1.941 122.341 120.400 0.000 0.000 3.342 155 K HA 0.444 4.766 4.320 0.002 0.000 0.345 155 K C -0.583 176.001 176.600 -0.027 0.000 1.095 155 K CA 0.027 56.319 56.287 0.008 0.000 0.829 155 K CB -0.201 32.334 32.500 0.060 0.000 1.471 155 K HN 0.465 nan 8.250 nan 0.000 0.428 156 G N 0.742 109.497 108.800 -0.076 0.000 2.940 156 G HA2 0.215 4.177 3.960 0.002 0.000 0.275 156 G HA3 0.215 4.177 3.960 0.002 0.000 0.275 156 G C -0.010 174.853 174.900 -0.061 0.000 0.350 156 G CA 0.556 45.580 45.100 -0.127 0.000 1.186 156 G HN 0.783 nan 8.290 nan 0.000 0.207 157 A N 3.676 126.534 122.820 0.063 0.000 2.282 157 A HA 0.772 5.093 4.320 0.002 0.000 0.319 157 A C 1.032 178.812 177.584 0.328 0.000 1.121 157 A CA -0.698 51.432 52.037 0.154 0.000 0.836 157 A CB 0.682 19.741 19.000 0.100 0.000 1.146 157 A HN 0.873 nan 8.150 nan 0.000 0.494 158 R N -0.016 120.675 120.500 0.320 0.000 2.629 158 R HA -0.081 4.261 4.340 0.002 0.000 0.277 158 R C -2.020 174.447 176.300 0.279 0.000 0.977 158 R CA 0.358 56.641 56.100 0.305 0.000 1.093 158 R CB -0.926 29.466 30.300 0.153 0.000 0.925 158 R HN 0.538 nan 8.270 nan 0.000 0.434 159 P HA -0.214 nan 4.420 nan 0.000 0.105 159 P C 0.007 177.454 177.300 0.245 0.000 0.856 159 P CA 0.831 64.003 63.100 0.119 0.000 1.007 159 P CB -0.561 31.163 31.700 0.040 0.000 1.630 160 W N 4.219 125.662 121.300 0.238 0.000 2.335 160 W HA -0.060 4.602 4.660 0.002 0.000 0.311 160 W C 1.292 177.875 176.519 0.106 0.000 1.213 160 W CA 2.620 60.101 57.345 0.226 0.000 1.274 160 W CB -0.074 29.552 29.460 0.276 0.000 1.148 160 W HN 0.441 nan 8.180 nan 0.000 0.498 161 G N -2.338 106.624 108.800 0.269 0.000 2.694 161 G HA2 0.219 4.181 3.960 0.002 0.000 0.246 161 G HA3 0.219 4.181 3.960 0.002 0.000 0.246 161 G C 0.289 175.258 174.900 0.114 0.000 1.205 161 G CA 0.231 45.359 45.100 0.047 0.000 0.891 161 G HN 0.147 nan 8.290 nan 0.000 0.515 162 S N -0.839 114.920 115.700 0.100 0.000 2.441 162 S HA 0.273 4.744 4.470 0.002 0.000 0.224 162 S C 0.347 175.001 174.600 0.089 0.000 1.043 162 S CA 1.178 59.418 58.200 0.067 0.000 0.948 162 S CB -0.008 63.214 63.200 0.036 0.000 0.810 162 S HN 0.651 nan 8.310 nan 0.000 0.504 163 E N 0.236 120.528 120.200 0.153 0.000 2.314 163 E HA 0.612 4.964 4.350 0.002 0.000 0.272 163 E C -0.640 176.060 176.600 0.166 0.000 0.884 163 E CA -0.458 56.016 56.400 0.123 0.000 0.753 163 E CB 1.151 30.902 29.700 0.084 0.000 1.213 163 E HN 0.006 nan 8.360 nan 0.000 0.432 164 D N -0.783 119.654 120.400 0.061 0.000 2.911 164 D HA -0.118 4.524 4.640 0.002 0.000 0.199 164 D C -2.134 174.093 176.300 -0.122 0.000 1.041 164 D CA 0.812 54.789 54.000 -0.039 0.000 1.013 164 D CB -1.119 39.631 40.800 -0.083 0.000 1.093 164 D HN 0.502 nan 8.370 nan 0.000 0.431 165 P HA 0.265 nan 4.420 nan 0.000 0.264 165 P C -0.910 176.399 177.300 0.014 0.000 1.193 165 P CA 1.188 64.335 63.100 0.079 0.000 0.763 165 P CB 1.025 32.931 31.700 0.344 0.000 0.810 166 T N 2.959 117.525 114.554 0.020 0.000 1.169 166 T HA -0.007 4.344 4.350 0.002 0.000 0.720 166 T C -2.346 172.316 174.700 -0.063 0.000 0.973 166 T CA -0.544 61.602 62.100 0.077 0.000 3.786 166 T CB -0.799 68.103 68.868 0.057 0.000 2.173 166 T HN 0.357 nan 8.240 nan 0.000 0.421 167 P HA 0.402 nan 4.420 nan 0.000 0.204 167 P C 0.057 177.318 177.300 -0.066 0.000 1.007 167 P CA 0.427 63.468 63.100 -0.099 0.000 1.065 167 P CB 1.038 32.654 31.700 -0.139 0.000 0.823 168 T N -1.018 113.482 114.554 -0.089 0.000 4.724 168 T HA 0.179 4.531 4.350 0.002 0.000 0.152 168 T C -0.944 173.599 174.700 -0.261 0.000 0.594 168 T CA -0.236 61.794 62.100 -0.116 0.000 0.858 168 T CB -1.242 67.583 68.868 -0.073 0.000 1.007 168 T HN 0.212 nan 8.240 nan 0.000 0.434 169 S N 0.755 116.264 115.700 -0.317 0.000 2.537 169 S HA 0.808 5.279 4.470 0.002 0.000 0.270 169 S C -0.876 173.453 174.600 -0.451 0.000 1.142 169 S CA -0.749 57.157 58.200 -0.490 0.000 0.870 169 S CB 0.753 63.805 63.200 -0.246 0.000 1.112 169 S HN 0.276 nan 8.310 nan 0.000 0.466 170 F N 2.383 122.298 119.950 -0.058 0.000 2.450 170 F HA 0.408 4.936 4.527 0.002 0.000 0.339 170 F C 0.760 176.447 175.800 -0.187 0.000 1.146 170 F CA -0.170 57.825 58.000 -0.008 0.000 1.267 170 F CB 0.235 39.227 39.000 -0.014 0.000 1.178 170 F HN 0.566 nan 8.300 nan 0.000 0.585 171 F N -0.079 120.022 119.950 0.252 0.000 2.784 171 F HA 0.344 4.873 4.527 0.002 0.000 0.323 171 F C 1.178 177.061 175.800 0.137 0.000 1.085 171 F CA 0.082 58.183 58.000 0.169 0.000 1.196 171 F CB 0.614 39.696 39.000 0.137 0.000 1.053 171 F HN 0.681 nan 8.300 nan 0.000 0.578 172 G N 1.273 110.249 108.800 0.293 0.000 2.414 172 G HA2 -0.044 3.917 3.960 0.002 0.000 0.256 172 G HA3 -0.044 3.917 3.960 0.002 0.000 0.256 172 G C 0.535 175.502 174.900 0.112 0.000 1.128 172 G CA -0.297 44.904 45.100 0.168 0.000 0.944 172 G HN 0.680 nan 8.290 nan 0.000 0.500 173 G N -0.158 108.682 108.800 0.068 0.000 2.570 173 G HA2 0.768 4.729 3.960 0.002 0.000 0.276 173 G HA3 0.768 4.729 3.960 0.002 0.000 0.276 173 G C -0.002 174.795 174.900 -0.172 0.000 1.346 173 G CA 0.710 45.777 45.100 -0.055 0.000 1.034 173 G HN 1.817 nan 8.290 nan 0.000 0.512 174 D N -3.304 116.948 120.400 -0.247 0.000 2.954 174 D HA -0.005 4.636 4.640 0.002 0.000 0.260 174 D C 0.370 176.604 176.300 -0.110 0.000 1.072 174 D CA -0.790 53.081 54.000 -0.217 0.000 0.735 174 D CB 0.034 40.812 40.800 -0.038 0.000 1.934 174 D HN 0.171 nan 8.370 nan 0.000 0.458 175 L N 0.370 121.555 121.223 -0.064 0.000 2.051 175 L HA -0.189 4.152 4.340 0.002 0.000 0.214 175 L C 2.523 179.408 176.870 0.025 0.000 1.076 175 L CA 1.794 56.632 54.840 -0.003 0.000 0.758 175 L CB -0.900 41.181 42.059 0.038 0.000 0.890 175 L HN 0.590 nan 8.230 nan 0.000 0.433 176 Q N -0.285 119.528 119.800 0.022 0.000 2.062 176 Q HA -0.218 4.123 4.340 0.002 0.000 0.209 176 Q C 2.284 178.290 176.000 0.010 0.000 0.996 176 Q CA 1.977 57.788 55.803 0.013 0.000 0.859 176 Q CB -0.972 27.768 28.738 0.004 0.000 0.920 176 Q HN 0.598 nan 8.270 nan 0.000 0.415 177 G N 1.094 109.912 108.800 0.030 0.000 2.574 177 G HA2 -0.286 3.676 3.960 0.002 0.000 0.220 177 G HA3 -0.286 3.676 3.960 0.002 0.000 0.220 177 G C 1.604 176.617 174.900 0.188 0.000 1.173 177 G CA 1.297 46.440 45.100 0.072 0.000 0.772 177 G HN 0.396 nan 8.290 nan 0.000 0.585 178 I N 0.705 121.438 120.570 0.273 0.000 2.151 178 I HA -0.214 3.958 4.170 0.002 0.000 0.243 178 I C 2.736 178.967 176.117 0.189 0.000 1.080 178 I CA 1.034 62.541 61.300 0.344 0.000 1.339 178 I CB -0.302 37.792 38.000 0.157 0.000 1.039 178 I HN 0.189 nan 8.210 nan 0.000 0.409 179 I N 0.595 121.213 120.570 0.081 0.000 2.208 179 I HA -0.315 3.856 4.170 0.002 0.000 0.245 179 I C 2.138 178.239 176.117 -0.025 0.000 1.097 179 I CA 1.402 62.718 61.300 0.027 0.000 1.363 179 I CB -0.626 37.377 38.000 0.005 0.000 1.051 179 I HN 0.280 nan 8.210 nan 0.000 0.413 180 D N 0.156 120.491 120.400 -0.107 0.000 2.078 180 D HA -0.167 4.474 4.640 0.002 0.000 0.193 180 D C 1.828 177.904 176.300 -0.373 0.000 0.990 180 D CA 1.397 55.221 54.000 -0.294 0.000 0.827 180 D CB -0.601 39.906 40.800 -0.488 0.000 0.975 180 D HN 0.430 nan 8.370 nan 0.000 0.451 181 H N 0.350 119.308 119.070 -0.186 0.000 2.612 181 H HA 0.032 4.590 4.556 0.002 0.000 0.285 181 H C 1.686 177.083 175.328 0.114 0.000 1.066 181 H CA -0.120 55.804 56.048 -0.206 0.000 1.180 181 H CB 0.079 29.442 29.762 -0.666 0.000 1.312 181 H HN 0.037 nan 8.280 nan 0.000 0.606 182 L N 0.895 122.202 121.223 0.141 0.000 2.275 182 L HA -0.102 4.239 4.340 0.002 0.000 0.215 182 L C 1.719 178.665 176.870 0.126 0.000 1.119 182 L CA 1.344 56.271 54.840 0.146 0.000 0.790 182 L CB -0.217 41.883 42.059 0.068 0.000 0.919 182 L HN 0.090 nan 8.230 nan 0.000 0.443 183 D N -1.876 118.590 120.400 0.109 0.000 2.149 183 D HA -0.228 4.413 4.640 0.002 0.000 0.201 183 D C 1.896 178.294 176.300 0.163 0.000 0.972 183 D CA 0.884 54.941 54.000 0.095 0.000 0.835 183 D CB 0.052 40.887 40.800 0.058 0.000 0.966 183 D HN 0.458 nan 8.370 nan 0.000 0.476 184 Y N 1.782 122.159 120.300 0.129 0.000 2.097 184 Y HA -0.235 4.316 4.550 0.002 0.000 0.282 184 Y C 2.214 178.205 175.900 0.152 0.000 1.152 184 Y CA 1.575 59.804 58.100 0.215 0.000 1.136 184 Y CB -0.561 38.135 38.460 0.395 0.000 0.975 184 Y HN -0.102 nan 8.280 nan 0.000 0.498 185 L N 0.084 121.401 121.223 0.157 0.000 1.943 185 L HA -0.282 4.059 4.340 0.002 0.000 0.215 185 L C 2.850 179.641 176.870 -0.132 0.000 1.074 185 L CA 1.497 56.279 54.840 -0.097 0.000 0.759 185 L CB -1.446 40.620 42.059 0.011 0.000 0.888 185 L HN 0.328 nan 8.230 nan 0.000 0.433 186 A N -0.175 122.620 122.820 -0.042 0.000 2.009 186 A HA -0.363 3.959 4.320 0.002 0.000 0.222 186 A C 1.930 179.470 177.584 -0.073 0.000 1.175 186 A CA 2.602 54.608 52.037 -0.052 0.000 0.651 186 A CB -0.901 18.090 19.000 -0.016 0.000 0.815 186 A HN 0.608 nan 8.150 nan 0.000 0.459 187 D N -1.154 119.205 120.400 -0.068 0.000 2.183 187 D HA -0.021 4.621 4.640 0.002 0.000 0.205 187 D C 1.790 178.005 176.300 -0.142 0.000 0.962 187 D CA 0.669 54.634 54.000 -0.058 0.000 0.849 187 D CB -0.152 40.661 40.800 0.020 0.000 0.978 187 D HN 0.361 nan 8.370 nan 0.000 0.488 188 L N -0.778 120.272 121.223 -0.287 0.000 2.191 188 L HA 0.003 4.344 4.340 0.002 0.000 0.212 188 L C 1.493 178.155 176.870 -0.346 0.000 1.103 188 L CA 1.506 56.052 54.840 -0.489 0.000 0.769 188 L CB -0.129 41.525 42.059 -0.677 0.000 0.908 188 L HN 0.492 nan 8.230 nan 0.000 0.438 189 G N -0.250 108.406 108.800 -0.240 0.000 2.184 189 G HA2 -0.260 3.701 3.960 0.002 0.000 0.206 189 G HA3 -0.260 3.701 3.960 0.002 0.000 0.206 189 G C 0.462 175.268 174.900 -0.158 0.000 0.995 189 G CA 0.109 45.103 45.100 -0.177 0.000 0.651 189 G HN 0.495 nan 8.290 nan 0.000 0.511 190 I N -0.432 120.031 120.570 -0.178 0.000 3.112 190 I HA 0.592 4.763 4.170 0.002 0.000 0.284 190 I C 1.163 177.206 176.117 -0.123 0.000 1.227 190 I CA 0.900 62.121 61.300 -0.132 0.000 1.369 190 I CB 1.001 38.936 38.000 -0.108 0.000 1.376 190 I HN 0.246 nan 8.210 nan 0.000 0.608 191 T N -0.096 114.367 114.554 -0.151 0.000 3.087 191 T HA 0.447 4.798 4.350 0.002 0.000 0.283 191 T C 0.368 174.907 174.700 -0.268 0.000 0.956 191 T CA 0.099 62.092 62.100 -0.178 0.000 0.894 191 T CB 0.109 68.874 68.868 -0.171 0.000 1.160 191 T HN 1.068 nan 8.240 nan 0.000 0.532 192 G N 1.898 110.502 108.800 -0.326 0.000 2.740 192 G HA2 0.656 4.618 3.960 0.002 0.000 0.296 192 G HA3 0.656 4.618 3.960 0.002 0.000 0.296 192 G C -1.088 173.867 174.900 0.092 0.000 1.439 192 G CA -1.079 43.736 45.100 -0.474 0.000 1.066 192 G HN 0.575 nan 8.290 nan 0.000 0.527 193 I N -0.343 120.424 120.570 0.327 0.000 2.603 193 I HA 0.748 4.919 4.170 0.002 0.000 0.300 193 I C -1.343 175.165 176.117 0.651 0.000 1.017 193 I CA -1.504 60.088 61.300 0.486 0.000 1.098 193 I CB 2.514 40.673 38.000 0.264 0.000 1.279 193 I HN 0.418 nan 8.210 nan 0.000 0.437 194 Y N 6.433 126.968 120.300 0.390 0.000 2.332 194 Y HA 0.626 5.177 4.550 0.002 0.000 0.326 194 Y C -1.658 174.282 175.900 0.066 0.000 0.978 194 Y CA -1.765 56.456 58.100 0.201 0.000 1.205 194 Y CB 1.023 39.577 38.460 0.156 0.000 1.131 194 Y HN 0.537 nan 8.280 nan 0.000 0.462 195 L N 5.766 127.040 121.223 0.086 0.000 2.326 195 L HA 0.352 4.694 4.340 0.002 0.000 0.278 195 L C 0.935 177.656 176.870 -0.249 0.000 1.092 195 L CA -0.582 54.154 54.840 -0.173 0.000 0.810 195 L CB 1.361 43.339 42.059 -0.135 0.000 1.153 195 L HN 0.653 nan 8.230 nan 0.000 0.439 196 T N 3.205 117.504 114.554 -0.424 0.000 2.726 196 T HA 0.196 4.548 4.350 0.002 0.000 0.294 196 T C -2.248 172.194 174.700 -0.430 0.000 1.013 196 T CA -1.055 60.792 62.100 -0.421 0.000 0.996 196 T CB 0.708 69.226 68.868 -0.583 0.000 1.016 196 T HN 0.445 nan 8.240 nan 0.000 0.529 197 P HA 0.000 nan 4.420 nan 0.000 0.263 197 P C -0.062 176.863 177.300 -0.624 0.000 1.168 197 P CA 0.718 63.402 63.100 -0.693 0.000 0.759 197 P CB -0.053 31.123 31.700 -0.872 0.000 0.782 198 I N -1.689 118.400 120.570 -0.801 0.000 3.376 198 I HA 0.354 4.525 4.170 0.002 0.000 0.326 198 I C -0.895 174.891 176.117 -0.553 0.000 1.538 198 I CA -0.674 60.237 61.300 -0.649 0.000 0.989 198 I CB -0.000 37.830 38.000 -0.283 0.000 1.413 198 I HN -0.175 nan 8.210 nan 0.000 0.547 199 F N 1.074 120.806 119.950 -0.363 0.000 2.450 199 F HA 0.576 5.104 4.527 0.002 0.000 0.332 199 F C 1.069 176.735 175.800 -0.222 0.000 1.093 199 F CA -1.353 56.512 58.000 -0.225 0.000 1.003 199 F CB 0.576 39.484 39.000 -0.154 0.000 1.151 199 F HN 0.033 nan 8.300 nan 0.000 0.474 200 R N 2.118 122.667 120.500 0.082 0.000 3.411 200 R HA 0.138 4.479 4.340 0.002 0.000 0.241 200 R C -0.745 175.561 176.300 0.009 0.000 0.689 200 R CA 0.549 56.660 56.100 0.019 0.000 1.022 200 R CB -0.939 29.406 30.300 0.076 0.000 0.958 200 R HN 0.864 nan 8.270 nan 0.000 0.361 201 A N 6.027 128.832 122.820 -0.026 0.000 2.612 201 A HA 0.474 4.796 4.320 0.002 0.000 0.293 201 A C -2.058 175.553 177.584 0.045 0.000 1.075 201 A CA -0.954 51.087 52.037 0.007 0.000 0.680 201 A CB 1.756 20.724 19.000 -0.053 0.000 1.279 201 A HN 0.461 nan 8.150 nan 0.000 0.411 202 P HA -0.016 nan 4.420 nan 0.000 0.221 202 P C 0.824 178.211 177.300 0.145 0.000 1.150 202 P CA 1.243 64.415 63.100 0.119 0.000 0.800 202 P CB 0.429 32.216 31.700 0.145 0.000 0.787 203 S N -0.336 115.381 115.700 0.029 0.000 2.767 203 S HA 0.247 4.719 4.470 0.002 0.000 0.300 203 S C 1.247 175.927 174.600 0.132 0.000 1.123 203 S CA -0.396 57.776 58.200 -0.047 0.000 0.992 203 S CB 0.527 63.373 63.200 -0.590 0.000 1.138 203 S HN 0.039 nan 8.310 nan 0.000 0.550 204 N N 0.326 119.010 118.700 -0.026 0.000 2.396 204 N HA -0.031 4.711 4.740 0.002 0.000 0.180 204 N C 0.092 175.702 175.510 0.167 0.000 1.028 204 N CA 1.011 54.149 53.050 0.147 0.000 0.893 204 N CB -0.625 37.803 38.487 -0.100 0.000 0.967 204 N HN 0.716 nan 8.380 nan 0.000 0.440 205 H N -2.103 117.055 119.070 0.147 0.000 2.476 205 H HA 0.597 5.154 4.556 0.002 0.000 0.328 205 H C -0.569 174.716 175.328 -0.071 0.000 1.073 205 H CA -1.168 54.904 56.048 0.040 0.000 1.229 205 H CB 1.365 31.313 29.762 0.311 0.000 1.432 205 H HN -0.277 nan 8.280 nan 0.000 0.477 206 K N 3.534 123.801 120.400 -0.223 0.000 2.911 206 K HA 0.109 4.430 4.320 0.002 0.000 0.239 206 K C -0.358 176.074 176.600 -0.279 0.000 1.090 206 K CA 0.048 56.158 56.287 -0.294 0.000 1.225 206 K CB -0.725 31.497 32.500 -0.463 0.000 1.087 206 K HN 0.667 nan 8.250 nan 0.000 0.464 207 Y N 0.095 120.524 120.300 0.215 0.000 2.448 207 Y HA -0.037 4.514 4.550 0.002 0.000 0.289 207 Y C 0.540 176.520 175.900 0.134 0.000 1.114 207 Y CA 0.208 58.383 58.100 0.126 0.000 1.235 207 Y CB 0.143 38.659 38.460 0.094 0.000 1.045 207 Y HN 0.196 nan 8.280 nan 0.000 0.554 208 D N 0.197 120.796 120.400 0.333 0.000 2.845 208 D HA 0.009 4.650 4.640 0.002 0.000 0.235 208 D C 0.360 176.751 176.300 0.151 0.000 1.158 208 D CA -0.068 54.095 54.000 0.271 0.000 0.990 208 D CB -0.657 40.319 40.800 0.293 0.000 1.094 208 D HN -0.036 nan 8.370 nan 0.000 0.486 209 T N -1.143 113.440 114.554 0.048 0.000 2.946 209 T HA 0.308 4.659 4.350 0.002 0.000 0.311 209 T C 1.075 175.795 174.700 0.033 0.000 1.063 209 T CA 0.176 62.229 62.100 -0.078 0.000 1.139 209 T CB 0.994 69.631 68.868 -0.386 0.000 0.994 209 T HN 0.339 nan 8.240 nan 0.000 0.547 210 A N 3.386 126.261 122.820 0.092 0.000 1.970 210 A HA 0.353 4.674 4.320 0.002 0.000 0.204 210 A C 0.685 178.507 177.584 0.397 0.000 1.325 210 A CA 0.405 52.599 52.037 0.262 0.000 0.767 210 A CB 0.114 19.223 19.000 0.182 0.000 0.949 210 A HN 0.809 nan 8.150 nan 0.000 0.481 211 D N -2.075 118.477 120.400 0.253 0.000 2.736 211 D HA 0.444 5.086 4.640 0.002 0.000 0.243 211 D C -0.420 176.025 176.300 0.242 0.000 1.304 211 D CA -0.574 53.650 54.000 0.373 0.000 0.934 211 D CB 0.558 41.526 40.800 0.279 0.000 1.382 211 D HN 0.127 nan 8.370 nan 0.000 0.571 212 Y N 2.131 122.603 120.300 0.286 0.000 2.509 212 Y HA 0.090 4.642 4.550 0.002 0.000 0.293 212 Y C 1.364 177.037 175.900 -0.379 0.000 1.133 212 Y CA 0.505 58.529 58.100 -0.127 0.000 1.283 212 Y CB -0.180 38.191 38.460 -0.148 0.000 1.001 212 Y HN 0.442 nan 8.280 nan 0.000 0.555 213 F N -0.134 119.870 119.950 0.090 0.000 2.776 213 F HA 0.125 4.654 4.527 0.002 0.000 0.300 213 F C 0.854 176.606 175.800 -0.081 0.000 1.116 213 F CA 0.067 57.950 58.000 -0.195 0.000 1.375 213 F CB 0.332 39.170 39.000 -0.269 0.000 1.109 213 F HN -0.091 nan 8.300 nan 0.000 0.585 214 E N 0.912 121.262 120.200 0.250 0.000 2.210 214 E HA 0.377 4.729 4.350 0.002 0.000 0.266 214 E C -0.676 176.136 176.600 0.353 0.000 0.883 214 E CA -0.590 55.977 56.400 0.279 0.000 0.761 214 E CB 1.379 31.192 29.700 0.188 0.000 1.156 214 E HN 0.022 nan 8.360 nan 0.000 0.412 215 I N 3.029 123.844 120.570 0.409 0.000 2.529 215 I HA 0.038 4.209 4.170 0.002 0.000 0.284 215 I C 0.372 176.563 176.117 0.123 0.000 1.082 215 I CA -0.207 61.288 61.300 0.326 0.000 1.406 215 I CB 0.590 38.766 38.000 0.294 0.000 1.405 215 I HN 0.613 nan 8.210 nan 0.000 0.548 216 D N 8.975 129.351 120.400 -0.041 0.000 2.451 216 D HA 0.004 4.645 4.640 0.002 0.000 0.254 216 D C -1.124 175.138 176.300 -0.062 0.000 1.204 216 D CA -1.011 52.898 54.000 -0.152 0.000 0.896 216 D CB 0.932 41.451 40.800 -0.469 0.000 1.136 216 D HN 0.304 nan 8.370 nan 0.000 0.499 217 P HA -0.251 nan 4.420 nan 0.000 0.217 217 P C 0.688 177.953 177.300 -0.060 0.000 1.151 217 P CA 1.450 64.478 63.100 -0.120 0.000 0.849 217 P CB -0.004 31.540 31.700 -0.259 0.000 0.787 218 H N -2.472 116.668 119.070 0.117 0.000 2.560 218 H HA 0.008 4.565 4.556 0.002 0.000 0.283 218 H C 1.529 177.101 175.328 0.406 0.000 1.028 218 H CA 0.780 56.945 56.048 0.195 0.000 1.221 218 H CB -0.379 29.472 29.762 0.147 0.000 1.363 218 H HN 0.223 nan 8.280 nan 0.000 0.594 219 F N -0.700 119.296 119.950 0.078 0.000 2.514 219 F HA 0.380 4.908 4.527 0.002 0.000 0.281 219 F C 1.724 177.545 175.800 0.037 0.000 1.060 219 F CA 0.685 58.714 58.000 0.048 0.000 1.397 219 F CB 0.416 39.422 39.000 0.010 0.000 1.129 219 F HN 0.235 nan 8.300 nan 0.000 0.620 220 G N -0.708 108.236 108.800 0.239 0.000 2.512 220 G HA2 0.327 4.289 3.960 0.002 0.000 0.181 220 G HA3 0.327 4.289 3.960 0.002 0.000 0.181 220 G C -1.999 172.976 174.900 0.125 0.000 1.173 220 G CA -0.124 45.063 45.100 0.146 0.000 0.988 220 G HN 0.081 nan 8.290 nan 0.000 0.485 221 D N -0.877 119.598 120.400 0.126 0.000 2.643 221 D HA 0.281 4.922 4.640 0.002 0.000 0.283 221 D C 0.415 176.819 176.300 0.174 0.000 1.242 221 D CA -0.617 53.469 54.000 0.143 0.000 0.863 221 D CB 1.285 42.157 40.800 0.120 0.000 1.382 221 D HN 0.437 nan 8.370 nan 0.000 0.444 222 K N -0.196 120.351 120.400 0.245 0.000 2.074 222 K HA -0.178 4.143 4.320 0.002 0.000 0.209 222 K C 1.517 178.322 176.600 0.343 0.000 1.048 222 K CA 1.375 57.897 56.287 0.391 0.000 0.926 222 K CB -0.033 32.759 32.500 0.485 0.000 0.713 222 K HN 0.393 nan 8.250 nan 0.000 0.444 223 E N 0.624 120.958 120.200 0.224 0.000 2.038 223 E HA -0.146 4.206 4.350 0.002 0.000 0.195 223 E C 2.240 178.928 176.600 0.147 0.000 1.000 223 E CA 1.567 58.069 56.400 0.171 0.000 0.803 223 E CB -0.727 29.043 29.700 0.117 0.000 0.750 223 E HN 0.313 nan 8.360 nan 0.000 0.448 224 T N 2.412 117.038 114.554 0.119 0.000 2.665 224 T HA -0.187 4.164 4.350 0.002 0.000 0.268 224 T C 1.901 176.649 174.700 0.081 0.000 1.035 224 T CA 1.377 63.530 62.100 0.088 0.000 1.151 224 T CB -0.386 68.531 68.868 0.081 0.000 0.862 224 T HN 0.023 nan 8.240 nan 0.000 0.438 225 L N 1.456 122.724 121.223 0.075 0.000 1.994 225 L HA 0.065 4.406 4.340 0.002 0.000 0.208 225 L C 2.290 179.220 176.870 0.101 0.000 1.071 225 L CA 1.899 56.744 54.840 0.009 0.000 0.745 225 L CB -0.744 41.190 42.059 -0.209 0.000 0.892 225 L HN 0.085 nan 8.230 nan 0.000 0.431 226 K N -1.628 118.934 120.400 0.270 0.000 2.360 226 K HA -0.135 4.187 4.320 0.002 0.000 0.201 226 K C 1.578 178.280 176.600 0.171 0.000 1.046 226 K CA 1.532 58.019 56.287 0.333 0.000 0.945 226 K CB 0.002 32.731 32.500 0.381 0.000 0.750 226 K HN 0.470 nan 8.250 nan 0.000 0.464 227 T N 1.127 115.755 114.554 0.123 0.000 2.937 227 T HA -0.039 4.312 4.350 0.002 0.000 0.260 227 T C 1.596 176.325 174.700 0.048 0.000 1.051 227 T CA 0.499 62.645 62.100 0.077 0.000 1.141 227 T CB -0.009 68.898 68.868 0.064 0.000 0.879 227 T HN 0.198 nan 8.240 nan 0.000 0.459 228 L N 1.359 122.605 121.223 0.039 0.000 2.046 228 L HA -0.091 4.250 4.340 0.002 0.000 0.208 228 L C 2.322 179.174 176.870 -0.030 0.000 1.077 228 L CA 1.283 56.128 54.840 0.009 0.000 0.747 228 L CB -0.244 41.818 42.059 0.005 0.000 0.896 228 L HN 0.124 nan 8.230 nan 0.000 0.432 229 V N -0.360 119.536 119.914 -0.031 0.000 2.548 229 V HA -0.200 3.921 4.120 0.002 0.000 0.249 229 V C 2.549 178.575 176.094 -0.113 0.000 1.055 229 V CA 1.277 63.489 62.300 -0.146 0.000 1.065 229 V CB -0.586 31.216 31.823 -0.035 0.000 0.681 229 V HN 0.364 nan 8.190 nan 0.000 0.462 230 K N 0.739 121.155 120.400 0.027 0.000 1.984 230 K HA -0.121 4.200 4.320 0.002 0.000 0.209 230 K C 2.364 178.990 176.600 0.043 0.000 1.046 230 K CA 1.402 57.732 56.287 0.072 0.000 0.934 230 K CB -0.378 32.164 32.500 0.070 0.000 0.717 230 K HN 0.226 nan 8.250 nan 0.000 0.438 231 R N 0.570 121.080 120.500 0.017 0.000 2.097 231 R HA -0.148 4.194 4.340 0.002 0.000 0.236 231 R C 2.613 178.911 176.300 -0.004 0.000 1.135 231 R CA 1.455 57.561 56.100 0.009 0.000 0.934 231 R CB -1.425 28.878 30.300 0.006 0.000 0.846 231 R HN 0.308 nan 8.270 nan 0.000 0.431 232 C N 0.168 119.442 119.300 -0.044 0.000 2.382 232 C HA -0.171 4.291 4.460 0.002 0.000 0.281 232 C C 2.625 177.593 174.990 -0.035 0.000 1.191 232 C CA 1.011 59.983 59.018 -0.076 0.000 1.772 232 C CB -1.400 26.237 27.740 -0.171 0.000 2.013 232 C HN 0.516 nan 8.230 nan 0.000 0.437 233 H N 0.215 119.265 119.070 -0.033 0.000 2.325 233 H HA -0.182 4.375 4.556 0.003 0.000 0.293 233 H C 2.139 177.436 175.328 -0.053 0.000 1.106 233 H CA 2.069 58.081 56.048 -0.060 0.000 1.247 233 H CB -0.980 28.752 29.762 -0.050 0.000 1.359 233 H HN 0.654 nan 8.280 nan 0.000 0.488 234 E N 0.588 120.849 120.200 0.102 0.000 2.147 234 E HA -0.218 4.133 4.350 0.002 0.000 0.199 234 E C 1.285 177.894 176.600 0.015 0.000 1.005 234 E CA 1.534 57.959 56.400 0.043 0.000 0.810 234 E CB 0.135 29.853 29.700 0.031 0.000 0.736 234 E HN 0.222 nan 8.360 nan 0.000 0.460 235 K N -1.446 118.959 120.400 0.008 0.000 2.404 235 K HA 0.140 4.462 4.320 0.002 0.000 0.194 235 K C 0.550 177.136 176.600 -0.024 0.000 1.023 235 K CA 0.657 56.938 56.287 -0.010 0.000 1.094 235 K CB 1.081 33.573 32.500 -0.013 0.000 0.841 235 K HN 0.252 nan 8.250 nan 0.000 0.523 236 G N 0.893 109.683 108.800 -0.017 0.000 2.140 236 G HA2 -0.200 3.762 3.960 0.002 0.000 0.211 236 G HA3 -0.200 3.762 3.960 0.002 0.000 0.211 236 G C -0.511 174.350 174.900 -0.064 0.000 1.013 236 G CA -0.447 44.627 45.100 -0.044 0.000 0.705 236 G HN 0.100 nan 8.290 nan 0.000 0.508 237 I N 1.003 121.547 120.570 -0.044 0.000 2.378 237 I HA 0.582 4.754 4.170 0.002 0.000 0.291 237 I C 0.613 176.681 176.117 -0.083 0.000 0.992 237 I CA -1.361 59.891 61.300 -0.081 0.000 1.154 237 I CB 1.349 39.312 38.000 -0.061 0.000 1.315 237 I HN 0.013 nan 8.210 nan 0.000 0.448 238 R N 4.049 124.469 120.500 -0.134 0.000 2.543 238 R HA 0.740 5.081 4.340 0.002 0.000 0.268 238 R C -0.971 175.358 176.300 0.048 0.000 1.067 238 R CA -0.784 55.268 56.100 -0.080 0.000 1.142 238 R CB 1.460 31.637 30.300 -0.205 0.000 1.110 238 R HN 0.333 nan 8.270 nan 0.000 0.549 239 V N 2.444 122.442 119.914 0.140 0.000 2.577 239 V HA 0.426 4.547 4.120 0.002 0.000 0.303 239 V C -0.335 175.910 176.094 0.252 0.000 1.042 239 V CA -0.718 61.692 62.300 0.183 0.000 0.872 239 V CB 1.884 33.709 31.823 0.002 0.000 0.998 239 V HN 0.680 nan 8.190 nan 0.000 0.423 240 M N 6.263 126.042 119.600 0.299 0.000 2.190 240 M HA 0.642 5.124 4.480 0.002 0.000 0.312 240 M C -1.702 174.596 176.300 -0.003 0.000 0.990 240 M CA -0.347 55.013 55.300 0.101 0.000 0.927 240 M CB 1.305 33.910 32.600 0.007 0.000 1.571 240 M HN 0.535 nan 8.290 nan 0.000 0.427 241 L N 2.021 123.102 121.223 -0.236 0.000 2.448 241 L HA 0.512 4.854 4.340 0.002 0.000 0.258 241 L C -0.013 176.822 176.870 -0.060 0.000 1.104 241 L CA -0.867 53.820 54.840 -0.254 0.000 0.800 241 L CB 0.819 42.538 42.059 -0.567 0.000 1.241 241 L HN 0.649 nan 8.230 nan 0.000 0.472 242 D N 0.880 121.266 120.400 -0.024 0.000 2.329 242 D HA 0.378 5.019 4.640 0.002 0.000 0.232 242 D C -0.763 175.636 176.300 0.165 0.000 1.088 242 D CA -0.211 53.837 54.000 0.080 0.000 0.835 242 D CB 1.829 42.632 40.800 0.005 0.000 1.078 242 D HN 0.535 nan 8.370 nan 0.000 0.495 243 A N 4.053 126.983 122.820 0.182 0.000 2.316 243 A HA 0.383 4.704 4.320 0.002 0.000 0.311 243 A C -0.116 177.278 177.584 -0.316 0.000 1.339 243 A CA -0.586 51.284 52.037 -0.278 0.000 0.960 243 A CB 0.381 18.869 19.000 -0.853 0.000 1.152 243 A HN 0.371 nan 8.150 nan 0.000 0.547 244 V N 4.403 124.294 119.914 -0.038 0.000 2.218 244 V HA 0.183 4.304 4.120 0.002 0.000 0.261 244 V C -0.006 176.295 176.094 0.344 0.000 1.142 244 V CA -0.017 62.338 62.300 0.090 0.000 0.965 244 V CB -0.728 31.165 31.823 0.117 0.000 1.190 244 V HN 0.829 nan 8.190 nan 0.000 0.478 245 F N 1.694 121.648 119.950 0.005 0.000 2.731 245 F HA 0.166 4.694 4.527 0.002 0.000 0.298 245 F C 1.993 177.697 175.800 -0.161 0.000 1.106 245 F CA -0.234 57.700 58.000 -0.110 0.000 1.329 245 F CB -0.696 38.203 39.000 -0.168 0.000 1.100 245 F HN 0.483 nan 8.300 nan 0.000 0.592 246 N N 0.122 118.878 118.700 0.093 0.000 2.244 246 N HA -0.138 4.603 4.740 0.002 0.000 0.183 246 N C 0.348 175.969 175.510 0.185 0.000 1.016 246 N CA 1.197 54.321 53.050 0.123 0.000 0.866 246 N CB 0.026 38.673 38.487 0.267 0.000 0.980 246 N HN 0.344 nan 8.380 nan 0.000 0.430 247 H N -2.861 116.287 119.070 0.130 0.000 2.990 247 H HA 0.482 5.040 4.556 0.002 0.000 0.343 247 H C -0.740 174.686 175.328 0.164 0.000 1.270 247 H CA -0.940 55.189 56.048 0.135 0.000 1.118 247 H CB 0.497 30.339 29.762 0.134 0.000 1.861 247 H HN 0.167 nan 8.280 nan 0.000 0.544 248 C N -0.003 119.411 119.300 0.191 0.000 2.771 248 C HA 0.918 5.380 4.460 0.002 0.000 0.333 248 C C 1.024 176.118 174.990 0.172 0.000 1.267 248 C CA -0.056 59.013 59.018 0.086 0.000 1.721 248 C CB 1.145 28.756 27.740 -0.214 0.000 2.222 248 C HN 1.080 nan 8.230 nan 0.000 0.485 249 G N -0.564 108.340 108.800 0.174 0.000 2.634 249 G HA2 0.312 4.274 3.960 0.002 0.000 0.255 249 G HA3 0.312 4.274 3.960 0.002 0.000 0.255 249 G C -0.103 174.987 174.900 0.316 0.000 1.205 249 G CA -0.085 45.172 45.100 0.262 0.000 0.884 249 G HN 1.066 nan 8.290 nan 0.000 0.549 250 Y N -0.631 119.804 120.300 0.225 0.000 2.293 250 Y HA -0.036 4.515 4.550 0.002 0.000 0.291 250 Y C 2.438 178.537 175.900 0.331 0.000 1.137 250 Y CA 1.942 60.198 58.100 0.260 0.000 1.202 250 Y CB 0.312 38.918 38.460 0.244 0.000 0.990 250 Y HN 0.588 nan 8.280 nan 0.000 0.537 251 E N -0.167 120.230 120.200 0.327 0.000 2.494 251 E HA -0.057 4.295 4.350 0.002 0.000 0.193 251 E C -0.429 176.300 176.600 0.215 0.000 1.074 251 E CA -0.348 56.172 56.400 0.199 0.000 0.867 251 E CB -0.305 29.530 29.700 0.224 0.000 0.924 251 E HN 0.220 nan 8.360 nan 0.000 0.502 252 F N 1.665 121.696 119.950 0.136 0.000 2.541 252 F HA 0.073 4.602 4.527 0.002 0.000 0.378 252 F C 1.356 177.191 175.800 0.057 0.000 1.068 252 F CA -0.324 57.772 58.000 0.160 0.000 1.199 252 F CB 0.482 39.657 39.000 0.292 0.000 1.091 252 F HN -0.040 nan 8.300 nan 0.000 0.555 253 A N 7.661 130.209 122.820 -0.454 0.000 1.879 253 A HA -0.254 4.067 4.320 0.002 0.000 0.222 253 A C -0.446 176.752 177.584 -0.643 0.000 1.368 253 A CA 2.422 54.137 52.037 -0.537 0.000 0.707 253 A CB -2.230 16.411 19.000 -0.598 0.000 0.846 253 A HN 0.709 nan 8.150 nan 0.000 0.468 254 P HA -0.184 nan 4.420 nan 0.000 0.216 254 P C 1.491 178.663 177.300 -0.213 0.000 1.157 254 P CA 1.568 64.087 63.100 -0.968 0.000 0.880 254 P CB -0.170 30.890 31.700 -1.068 0.000 0.791 255 F N 0.220 120.222 119.950 0.086 0.000 2.186 255 F HA -0.171 4.358 4.527 0.002 0.000 0.299 255 F C 2.401 178.029 175.800 -0.287 0.000 1.090 255 F CA 1.438 59.374 58.000 -0.107 0.000 1.307 255 F CB -0.724 38.235 39.000 -0.068 0.000 1.019 255 F HN -0.167 nan 8.300 nan 0.000 0.489 256 Q N 0.608 120.236 119.800 -0.288 0.000 2.050 256 Q HA -0.255 4.087 4.340 0.002 0.000 0.202 256 Q C 1.896 177.647 176.000 -0.416 0.000 0.980 256 Q CA 2.243 57.798 55.803 -0.413 0.000 0.840 256 Q CB -0.678 27.891 28.738 -0.282 0.000 0.898 256 Q HN 0.449 nan 8.270 nan 0.000 0.424 257 D N -1.355 118.821 120.400 -0.373 0.000 2.265 257 D HA -0.126 4.515 4.640 0.002 0.000 0.208 257 D C 1.360 177.495 176.300 -0.275 0.000 0.977 257 D CA 0.988 54.796 54.000 -0.319 0.000 0.871 257 D CB 0.148 40.706 40.800 -0.403 0.000 0.925 257 D HN 0.224 nan 8.370 nan 0.000 0.485 258 V N 0.111 119.814 119.914 -0.351 0.000 2.667 258 V HA -0.106 4.016 4.120 0.002 0.000 0.252 258 V C 2.144 178.032 176.094 -0.344 0.000 1.065 258 V CA 0.948 63.065 62.300 -0.305 0.000 1.083 258 V CB -0.169 31.415 31.823 -0.398 0.000 0.692 258 V HN 0.282 nan 8.190 nan 0.000 0.468 259 L N 0.451 121.419 121.223 -0.425 0.000 2.249 259 L HA 0.121 4.462 4.340 0.002 0.000 0.207 259 L C 2.259 178.996 176.870 -0.222 0.000 1.090 259 L CA 1.697 56.345 54.840 -0.319 0.000 0.802 259 L CB -0.593 41.265 42.059 -0.336 0.000 0.947 259 L HN 0.223 nan 8.230 nan 0.000 0.453 260 K N -0.269 119.999 120.400 -0.220 0.000 2.281 260 K HA -0.117 4.205 4.320 0.002 0.000 0.203 260 K C 1.263 177.776 176.600 -0.145 0.000 1.046 260 K CA 1.888 58.077 56.287 -0.163 0.000 0.938 260 K CB -0.043 32.361 32.500 -0.161 0.000 0.737 260 K HN 0.469 nan 8.250 nan 0.000 0.458 261 N N -1.496 117.105 118.700 -0.165 0.000 2.218 261 N HA 0.129 4.871 4.740 0.002 0.000 0.224 261 N C 0.661 176.045 175.510 -0.211 0.000 1.248 261 N CA 0.648 53.604 53.050 -0.156 0.000 0.875 261 N CB 1.061 39.472 38.487 -0.128 0.000 1.165 261 N HN 0.284 nan 8.380 nan 0.000 0.485 262 G N 1.779 110.428 108.800 -0.252 0.000 2.547 262 G HA2 -0.385 3.577 3.960 0.002 0.000 0.271 262 G HA3 -0.385 3.577 3.960 0.002 0.000 0.271 262 G C 1.040 175.522 174.900 -0.697 0.000 1.209 262 G CA 0.984 45.850 45.100 -0.390 0.000 0.959 262 G HN 0.429 nan 8.290 nan 0.000 0.563 263 A N -0.523 121.625 122.820 -1.121 0.000 2.042 263 A HA 0.124 4.446 4.320 0.002 0.000 0.222 263 A C 2.980 180.272 177.584 -0.487 0.000 1.167 263 A CA 3.750 55.030 52.037 -1.261 0.000 0.649 263 A CB -1.036 17.515 19.000 -0.749 0.000 0.809 263 A HN 2.347 nan 8.150 nan 0.000 0.457 264 A N -0.508 122.113 122.820 -0.331 0.000 1.855 264 A HA 0.103 4.424 4.320 0.002 0.000 0.215 264 A C 1.688 179.206 177.584 -0.110 0.000 1.191 264 A CA 1.155 53.089 52.037 -0.172 0.000 0.613 264 A CB -1.171 17.744 19.000 -0.142 0.000 0.829 264 A HN 0.943 nan 8.150 nan 0.000 0.442 265 S N -0.201 115.433 115.700 -0.110 0.000 3.116 265 S HA -0.136 4.335 4.470 0.002 0.000 0.373 265 S C 1.000 175.621 174.600 0.035 0.000 1.193 265 S CA -0.034 58.156 58.200 -0.018 0.000 0.972 265 S CB 0.050 63.251 63.200 -0.000 0.000 0.671 265 S HN 0.406 nan 8.310 nan 0.000 0.488 266 R N 3.176 123.705 120.500 0.048 0.000 2.328 266 R HA 0.037 4.379 4.340 0.002 0.000 0.206 266 R C -0.294 175.816 176.300 -0.316 0.000 0.990 266 R CA 0.625 56.663 56.100 -0.104 0.000 1.085 266 R CB -0.370 29.820 30.300 -0.183 0.000 0.998 266 R HN 0.770 nan 8.270 nan 0.000 0.484 267 Y N -0.572 119.686 120.300 -0.071 0.000 2.719 267 Y HA 0.118 4.669 4.550 0.002 0.000 0.251 267 Y C 1.470 177.500 175.900 0.218 0.000 1.159 267 Y CA -0.647 57.377 58.100 -0.128 0.000 1.166 267 Y CB 0.374 38.568 38.460 -0.443 0.000 1.219 267 Y HN -0.021 nan 8.280 nan 0.000 0.551 268 K N -0.520 120.083 120.400 0.338 0.000 2.032 268 K HA -0.161 4.160 4.320 0.002 0.000 0.209 268 K C 0.555 177.382 176.600 0.378 0.000 1.048 268 K CA 2.099 58.647 56.287 0.436 0.000 0.927 268 K CB -0.237 32.546 32.500 0.472 0.000 0.712 268 K HN 0.090 nan 8.250 nan 0.000 0.441 269 D N -0.063 120.459 120.400 0.203 0.000 2.392 269 D HA -0.105 4.537 4.640 0.002 0.000 0.228 269 D C 0.739 176.893 176.300 -0.243 0.000 1.003 269 D CA 0.630 54.612 54.000 -0.030 0.000 0.917 269 D CB -0.142 40.583 40.800 -0.124 0.000 0.890 269 D HN 0.407 nan 8.370 nan 0.000 0.532 270 W N -0.039 121.052 121.300 -0.347 0.000 3.047 270 W HA 0.140 4.802 4.660 0.002 0.000 0.250 270 W C 0.346 176.392 176.519 -0.789 0.000 1.314 270 W CA -0.079 56.905 57.345 -0.602 0.000 1.540 270 W CB -0.104 28.982 29.460 -0.624 0.000 1.127 270 W HN -0.183 nan 8.180 nan 0.000 0.679 271 F N -2.240 117.872 119.950 0.270 0.000 2.790 271 F HA 0.378 4.907 4.527 0.002 0.000 0.337 271 F C -0.535 175.351 175.800 0.143 0.000 1.163 271 F CA -1.618 56.561 58.000 0.297 0.000 0.997 271 F CB 0.524 39.761 39.000 0.396 0.000 1.437 271 F HN -0.459 nan 8.300 nan 0.000 0.512 272 H N 1.046 120.341 119.070 0.375 0.000 2.691 272 H HA 0.599 5.156 4.556 0.002 0.000 0.281 272 H C -1.285 174.170 175.328 0.213 0.000 1.121 272 H CA -0.411 55.766 56.048 0.215 0.000 1.254 272 H CB 0.323 30.180 29.762 0.158 0.000 1.390 272 H HN 0.228 nan 8.280 nan 0.000 0.491 273 I N 1.878 122.540 120.570 0.153 0.000 2.436 273 I HA 0.372 4.544 4.170 0.002 0.000 0.289 273 I C 0.926 176.973 176.117 -0.116 0.000 1.010 273 I CA -0.575 60.739 61.300 0.024 0.000 1.098 273 I CB 1.993 39.881 38.000 -0.187 0.000 1.266 273 I HN 0.444 nan 8.210 nan 0.000 0.434 274 R N 2.277 122.760 120.500 -0.029 0.000 2.023 274 R HA 0.226 4.567 4.340 0.002 0.000 0.217 274 R C 0.071 176.318 176.300 -0.089 0.000 1.255 274 R CA 0.045 56.123 56.100 -0.036 0.000 0.981 274 R CB -0.167 30.157 30.300 0.041 0.000 0.853 274 R HN 0.432 nan 8.270 nan 0.000 0.463 275 E N 0.487 120.679 120.200 -0.013 0.000 2.338 275 E HA 0.064 4.416 4.350 0.002 0.000 0.272 275 E C -0.265 176.343 176.600 0.014 0.000 1.029 275 E CA 0.070 56.486 56.400 0.028 0.000 0.872 275 E CB 0.582 30.330 29.700 0.080 0.000 1.015 275 E HN 0.140 nan 8.360 nan 0.000 0.417 276 F N 3.294 123.268 119.950 0.040 0.000 2.473 276 F HA 0.159 4.687 4.527 0.002 0.000 0.294 276 F C -0.993 174.799 175.800 -0.013 0.000 1.103 276 F CA -0.714 57.292 58.000 0.011 0.000 1.442 276 F CB 0.311 39.315 39.000 0.008 0.000 1.097 276 F HN 0.417 nan 8.300 nan 0.000 0.547 277 P HA 0.034 nan 4.420 nan 0.000 0.244 277 P C -0.599 176.762 177.300 0.101 0.000 1.769 277 P CA 0.242 63.411 63.100 0.115 0.000 1.102 277 P CB -0.224 31.525 31.700 0.082 0.000 1.937 278 L N 2.230 123.508 121.223 0.091 0.000 2.878 278 L HA -0.160 4.181 4.340 0.002 0.000 0.285 278 L C 0.645 177.566 176.870 0.085 0.000 1.090 278 L CA 1.070 55.940 54.840 0.050 0.000 1.030 278 L CB -0.539 41.458 42.059 -0.104 0.000 1.431 278 L HN 0.319 nan 8.230 nan 0.000 0.456 279 Q N 1.534 121.418 119.800 0.140 0.000 2.340 279 Q HA 0.197 4.538 4.340 0.002 0.000 0.268 279 Q C 0.422 176.535 176.000 0.188 0.000 1.031 279 Q CA -0.404 55.481 55.803 0.136 0.000 0.804 279 Q CB 2.367 31.165 28.738 0.099 0.000 1.286 279 Q HN 0.436 nan 8.270 nan 0.000 0.448 280 T N 0.964 115.626 114.554 0.180 0.000 3.176 280 T HA 0.064 4.415 4.350 0.002 0.000 0.263 280 T C 0.343 175.109 174.700 0.110 0.000 1.021 280 T CA 0.086 62.294 62.100 0.180 0.000 0.905 280 T CB 0.259 69.254 68.868 0.212 0.000 1.057 280 T HN 0.571 nan 8.240 nan 0.000 0.558 281 E N 2.120 122.373 120.200 0.087 0.000 1.928 281 E HA -0.081 4.271 4.350 0.002 0.000 0.215 281 E C -0.535 176.086 176.600 0.036 0.000 0.964 281 E CA 1.286 57.719 56.400 0.056 0.000 0.882 281 E CB -1.954 27.775 29.700 0.048 0.000 0.814 281 E HN 0.320 nan 8.360 nan 0.000 0.565 282 P HA -0.132 nan 4.420 nan 0.000 0.215 282 P C -0.164 177.122 177.300 -0.022 0.000 1.157 282 P CA 2.073 65.167 63.100 -0.009 0.000 0.874 282 P CB 0.020 31.711 31.700 -0.015 0.000 0.790 283 R N -4.625 115.876 120.500 0.003 0.000 2.728 283 R HA 0.420 4.761 4.340 0.002 0.000 0.274 283 R C -3.344 172.990 176.300 0.056 0.000 1.032 283 R CA -1.995 54.111 56.100 0.010 0.000 0.866 283 R CB -0.314 29.945 30.300 -0.069 0.000 1.263 283 R HN -0.344 nan 8.270 nan 0.000 0.475 284 P HA -0.032 nan 4.420 nan 0.000 0.261 284 P C -0.345 176.987 177.300 0.052 0.000 1.173 284 P CA 0.006 63.083 63.100 -0.038 0.000 0.760 284 P CB 0.391 31.804 31.700 -0.479 0.000 0.783 285 N N 2.280 121.136 118.700 0.261 0.000 2.313 285 N HA -0.025 4.716 4.740 0.002 0.000 0.207 285 N C -0.286 175.416 175.510 0.320 0.000 1.141 285 N CA 0.026 53.220 53.050 0.240 0.000 0.830 285 N CB -0.447 38.168 38.487 0.215 0.000 1.008 285 N HN 0.419 nan 8.380 nan 0.000 0.481 286 Y N -2.281 118.081 120.300 0.103 0.000 2.609 286 Y HA 0.550 5.101 4.550 0.002 0.000 0.342 286 Y C -0.752 175.209 175.900 0.102 0.000 1.058 286 Y CA -1.959 56.208 58.100 0.112 0.000 1.055 286 Y CB 0.370 38.919 38.460 0.149 0.000 1.292 286 Y HN -0.271 nan 8.280 nan 0.000 0.476 287 D N 2.017 122.494 120.400 0.128 0.000 2.383 287 D HA 0.308 4.950 4.640 0.002 0.000 0.252 287 D C -0.253 175.992 176.300 -0.092 0.000 1.166 287 D CA 0.675 54.651 54.000 -0.041 0.000 0.879 287 D CB 1.365 42.142 40.800 -0.039 0.000 1.164 287 D HN 0.771 nan 8.370 nan 0.000 0.462 288 T N -0.633 113.779 114.554 -0.237 0.000 2.906 288 T HA 0.205 4.556 4.350 0.002 0.000 0.295 288 T C 0.988 175.551 174.700 -0.229 0.000 1.061 288 T CA -0.860 61.121 62.100 -0.197 0.000 1.000 288 T CB 1.475 70.180 68.868 -0.272 0.000 1.103 288 T HN 0.173 nan 8.240 nan 0.000 0.486 289 F N 2.146 121.899 119.950 -0.327 0.000 2.311 289 F HA -0.327 4.201 4.527 0.002 0.000 0.290 289 F C 2.107 177.662 175.800 -0.409 0.000 1.181 289 F CA 3.286 61.020 58.000 -0.443 0.000 1.333 289 F CB -1.129 37.521 39.000 -0.583 0.000 0.887 289 F HN 0.862 nan 8.300 nan 0.000 0.555 290 A N -2.694 119.525 122.820 -1.002 0.000 2.011 290 A HA 0.357 4.678 4.320 0.002 0.000 0.204 290 A C 0.763 177.711 177.584 -1.060 0.000 1.520 290 A CA 0.925 52.300 52.037 -1.104 0.000 0.819 290 A CB 0.001 18.480 19.000 -0.868 0.000 1.087 290 A HN 0.519 nan 8.150 nan 0.000 0.526 291 F N -1.377 118.450 119.950 -0.204 0.000 2.991 291 F HA 0.191 4.719 4.527 0.002 0.000 0.315 291 F C -0.338 175.423 175.800 -0.066 0.000 1.263 291 F CA -0.693 57.223 58.000 -0.140 0.000 0.886 291 F CB 0.562 39.491 39.000 -0.118 0.000 1.589 291 F HN -0.105 nan 8.300 nan 0.000 0.488 292 V N 3.328 123.296 119.914 0.090 0.000 2.276 292 V HA 0.105 4.227 4.120 0.002 0.000 0.249 292 V C -1.360 174.812 176.094 0.130 0.000 1.160 292 V CA -0.990 61.396 62.300 0.143 0.000 1.042 292 V CB 0.557 32.492 31.823 0.187 0.000 1.224 292 V HN -0.017 nan 8.190 nan 0.000 0.496 293 P HA -0.204 nan 4.420 nan 0.000 0.218 293 P C 0.877 178.292 177.300 0.191 0.000 1.154 293 P CA 1.513 64.698 63.100 0.142 0.000 0.872 293 P CB 0.017 31.828 31.700 0.185 0.000 0.790 294 H N -2.104 117.049 119.070 0.138 0.000 2.612 294 H HA 0.223 4.781 4.556 0.002 0.000 0.285 294 H C 0.464 175.913 175.328 0.202 0.000 1.066 294 H CA 0.637 56.797 56.048 0.187 0.000 1.180 294 H CB -1.130 28.671 29.762 0.065 0.000 1.312 294 H HN 0.169 nan 8.280 nan 0.000 0.606 295 M N 1.538 121.262 119.600 0.207 0.000 2.152 295 M HA 0.206 4.687 4.480 0.002 0.000 0.215 295 M C -2.934 173.418 176.300 0.088 0.000 0.987 295 M CA -1.470 53.934 55.300 0.173 0.000 0.933 295 M CB 2.714 35.397 32.600 0.138 0.000 2.430 295 M HN -0.119 nan 8.290 nan 0.000 0.373 296 P HA 0.203 nan 4.420 nan 0.000 0.282 296 P C -1.099 176.358 177.300 0.261 0.000 1.249 296 P CA -0.343 62.795 63.100 0.064 0.000 0.806 296 P CB 1.329 32.816 31.700 -0.355 0.000 0.984 297 K N 2.624 123.192 120.400 0.280 0.000 2.322 297 K HA 0.190 4.512 4.320 0.002 0.000 0.283 297 K C 0.004 176.822 176.600 0.363 0.000 1.042 297 K CA -0.582 55.861 56.287 0.260 0.000 0.958 297 K CB 0.212 32.759 32.500 0.078 0.000 0.984 297 K HN 0.261 nan 8.250 nan 0.000 0.473 298 L N 2.952 124.308 121.223 0.222 0.000 2.482 298 L HA 0.125 4.467 4.340 0.002 0.000 0.242 298 L C 0.578 177.529 176.870 0.135 0.000 1.210 298 L CA 0.473 55.371 54.840 0.098 0.000 0.819 298 L CB 0.251 42.280 42.059 -0.049 0.000 1.203 298 L HN 0.768 nan 8.230 nan 0.000 0.495 299 N N -1.256 117.443 118.700 -0.002 0.000 2.918 299 N HA 0.061 4.802 4.740 0.002 0.000 0.270 299 N C 0.484 175.940 175.510 -0.090 0.000 1.536 299 N CA 0.202 53.285 53.050 0.054 0.000 0.877 299 N CB 0.421 38.839 38.487 -0.114 0.000 1.190 299 N HN 0.742 nan 8.380 nan 0.000 0.492 300 T N -1.488 112.956 114.554 -0.183 0.000 2.896 300 T HA -0.213 4.139 4.350 0.002 0.000 0.270 300 T C 1.696 176.349 174.700 -0.078 0.000 1.104 300 T CA 1.245 63.138 62.100 -0.346 0.000 1.115 300 T CB -0.105 68.288 68.868 -0.790 0.000 0.843 300 T HN 0.407 nan 8.240 nan 0.000 0.523 301 A N 0.714 123.516 122.820 -0.029 0.000 1.975 301 A HA 0.149 4.470 4.320 0.002 0.000 0.215 301 A C 1.152 178.717 177.584 -0.031 0.000 1.170 301 A CA 0.280 52.319 52.037 0.003 0.000 0.656 301 A CB -0.743 18.271 19.000 0.024 0.000 0.821 301 A HN 0.683 nan 8.150 nan 0.000 0.449 302 H N 0.718 119.693 119.070 -0.159 0.000 2.929 302 H HA 0.126 4.683 4.556 0.002 0.000 0.358 302 H C -1.265 173.937 175.328 -0.210 0.000 1.111 302 H CA -0.502 55.416 56.048 -0.217 0.000 1.409 302 H CB 0.928 30.474 29.762 -0.360 0.000 1.373 302 H HN 0.054 nan 8.280 nan 0.000 0.610 303 P HA -0.129 nan 4.420 nan 0.000 0.216 303 P C 0.581 177.709 177.300 -0.287 0.000 1.153 303 P CA 1.380 64.239 63.100 -0.401 0.000 0.844 303 P CB 0.457 31.911 31.700 -0.410 0.000 0.787 304 E N 0.140 120.157 120.200 -0.304 0.000 2.006 304 E HA -0.082 4.270 4.350 0.002 0.000 0.192 304 E C 2.289 178.666 176.600 -0.371 0.000 0.993 304 E CA 0.988 57.261 56.400 -0.212 0.000 0.808 304 E CB -0.900 28.716 29.700 -0.140 0.000 0.764 304 E HN -0.057 nan 8.360 nan 0.000 0.449 305 V N 2.283 121.735 119.914 -0.771 0.000 2.311 305 V HA -0.363 3.759 4.120 0.002 0.000 0.256 305 V C 2.484 178.459 176.094 -0.198 0.000 1.077 305 V CA 2.301 64.208 62.300 -0.654 0.000 1.067 305 V CB -0.642 30.835 31.823 -0.577 0.000 0.659 305 V HN 0.288 nan 8.190 nan 0.000 0.451 306 K N -0.104 120.231 120.400 -0.109 0.000 2.032 306 K HA -0.259 4.062 4.320 0.002 0.000 0.209 306 K C 2.411 179.017 176.600 0.009 0.000 1.048 306 K CA 2.183 58.515 56.287 0.075 0.000 0.927 306 K CB -0.186 32.333 32.500 0.031 0.000 0.712 306 K HN 0.387 nan 8.250 nan 0.000 0.441 307 R N -0.650 119.838 120.500 -0.020 0.000 2.148 307 R HA -0.149 4.192 4.340 0.002 0.000 0.223 307 R C 2.239 178.593 176.300 0.090 0.000 1.088 307 R CA 0.954 57.062 56.100 0.015 0.000 0.985 307 R CB -0.324 29.991 30.300 0.025 0.000 0.880 307 R HN 0.276 nan 8.270 nan 0.000 0.451 308 Y N 1.255 121.547 120.300 -0.013 0.000 2.089 308 Y HA -0.226 4.325 4.550 0.002 0.000 0.282 308 Y C 1.663 177.545 175.900 -0.030 0.000 1.139 308 Y CA 1.830 59.985 58.100 0.092 0.000 1.123 308 Y CB -0.616 37.952 38.460 0.179 0.000 0.980 308 Y HN -0.008 nan 8.280 nan 0.000 0.493 309 L N -0.837 120.163 121.223 -0.372 0.000 1.955 309 L HA -0.286 4.056 4.340 0.002 0.000 0.213 309 L C 2.475 179.109 176.870 -0.393 0.000 1.072 309 L CA 1.301 55.683 54.840 -0.763 0.000 0.755 309 L CB -1.149 40.397 42.059 -0.855 0.000 0.888 309 L HN 0.241 nan 8.230 nan 0.000 0.432 310 L N 0.056 121.177 121.223 -0.170 0.000 2.123 310 L HA -0.317 4.025 4.340 0.002 0.000 0.217 310 L C 2.061 178.906 176.870 -0.042 0.000 1.081 310 L CA 1.919 56.697 54.840 -0.103 0.000 0.772 310 L CB -0.987 41.001 42.059 -0.118 0.000 0.890 310 L HN 0.298 nan 8.230 nan 0.000 0.437 311 D N -1.771 118.625 120.400 -0.007 0.000 2.091 311 D HA -0.115 4.526 4.640 0.002 0.000 0.199 311 D C 2.315 178.693 176.300 0.130 0.000 0.980 311 D CA 1.134 55.201 54.000 0.113 0.000 0.831 311 D CB -0.177 40.756 40.800 0.222 0.000 0.987 311 D HN 0.067 nan 8.370 nan 0.000 0.460 312 V N 1.408 121.261 119.914 -0.101 0.000 2.220 312 V HA -0.346 3.775 4.120 0.002 0.000 0.250 312 V C 2.487 178.755 176.094 0.291 0.000 1.056 312 V CA 2.184 64.339 62.300 -0.242 0.000 1.016 312 V CB -1.067 30.442 31.823 -0.524 0.000 0.639 312 V HN 0.265 nan 8.190 nan 0.000 0.446 313 A N 0.470 123.431 122.820 0.235 0.000 1.940 313 A HA -0.342 3.980 4.320 0.002 0.000 0.221 313 A C 2.369 180.248 177.584 0.491 0.000 1.190 313 A CA 3.326 55.525 52.037 0.269 0.000 0.647 313 A CB -1.147 17.871 19.000 0.030 0.000 0.821 313 A HN 0.712 nan 8.150 nan 0.000 0.457 314 T N -4.043 110.687 114.554 0.293 0.000 3.035 314 T HA -0.045 4.306 4.350 0.002 0.000 0.259 314 T C 1.714 176.582 174.700 0.281 0.000 1.078 314 T CA 1.074 63.330 62.100 0.259 0.000 1.132 314 T CB -0.488 68.456 68.868 0.128 0.000 0.900 314 T HN 0.476 nan 8.240 nan 0.000 0.480 315 Y N 1.750 122.157 120.300 0.179 0.000 2.014 315 Y HA -0.265 4.287 4.550 0.002 0.000 0.272 315 Y C 1.884 177.820 175.900 0.061 0.000 1.164 315 Y CA 1.355 59.480 58.100 0.042 0.000 1.114 315 Y CB -0.768 37.609 38.460 -0.138 0.000 0.961 315 Y HN 0.235 nan 8.280 nan 0.000 0.489 316 W N 0.216 121.738 121.300 0.369 0.000 2.425 316 W HA -0.090 4.572 4.660 0.002 0.000 0.277 316 W C 2.299 178.952 176.519 0.223 0.000 1.231 316 W CA 1.133 58.701 57.345 0.371 0.000 1.248 316 W CB -0.583 29.211 29.460 0.557 0.000 1.117 316 W HN 0.065 nan 8.180 nan 0.000 0.568 317 I N 0.008 120.828 120.570 0.417 0.000 2.493 317 I HA -0.187 3.985 4.170 0.002 0.000 0.254 317 I C 2.562 178.753 176.117 0.124 0.000 1.160 317 I CA 1.243 62.699 61.300 0.260 0.000 1.445 317 I CB -0.451 37.715 38.000 0.277 0.000 1.086 317 I HN -0.009 nan 8.210 nan 0.000 0.433 318 R N 0.533 121.053 120.500 0.034 0.000 2.105 318 R HA -0.010 4.332 4.340 0.002 0.000 0.214 318 R C 2.191 178.363 176.300 -0.213 0.000 1.091 318 R CA 0.516 56.574 56.100 -0.070 0.000 1.007 318 R CB 0.214 30.469 30.300 -0.076 0.000 0.912 318 R HN 0.097 nan 8.270 nan 0.000 0.450 319 E N -0.474 119.464 120.200 -0.437 0.000 2.204 319 E HA -0.119 4.232 4.350 0.002 0.000 0.194 319 E C 0.505 176.480 176.600 -1.042 0.000 0.989 319 E CA 1.094 56.983 56.400 -0.852 0.000 0.824 319 E CB 0.269 29.103 29.700 -1.442 0.000 0.756 319 E HN 0.333 nan 8.360 nan 0.000 0.477 320 F N -0.826 119.128 119.950 0.006 0.000 2.856 320 F HA 0.152 4.681 4.527 0.002 0.000 0.338 320 F C 0.152 176.018 175.800 0.109 0.000 1.100 320 F CA -0.507 57.550 58.000 0.095 0.000 1.150 320 F CB 0.506 39.627 39.000 0.201 0.000 1.101 320 F HN -0.200 nan 8.300 nan 0.000 0.548 321 D N 2.521 123.035 120.400 0.190 0.000 2.689 321 D HA -0.215 4.426 4.640 0.002 0.000 0.237 321 D C 0.302 176.752 176.300 0.250 0.000 1.148 321 D CA 0.658 54.765 54.000 0.177 0.000 0.656 321 D CB -0.833 40.053 40.800 0.144 0.000 1.050 321 D HN 0.521 nan 8.370 nan 0.000 0.426 322 I N -3.614 117.085 120.570 0.214 0.000 3.327 322 I HA 0.224 4.395 4.170 0.002 0.000 0.280 322 I C 0.926 177.133 176.117 0.149 0.000 1.207 322 I CA -0.139 61.245 61.300 0.140 0.000 1.280 322 I CB 0.542 38.536 38.000 -0.010 0.000 1.417 322 I HN -0.161 nan 8.210 nan 0.000 0.639 323 D N 1.004 121.499 120.400 0.158 0.000 2.441 323 D HA 0.319 4.960 4.640 0.002 0.000 0.210 323 D C 0.505 177.035 176.300 0.384 0.000 1.102 323 D CA 0.346 54.507 54.000 0.269 0.000 0.840 323 D CB 1.300 42.262 40.800 0.270 0.000 0.990 323 D HN 0.860 nan 8.370 nan 0.000 0.505 324 G N 0.188 109.088 108.800 0.166 0.000 2.355 324 G HA2 0.337 4.298 3.960 0.002 0.000 0.296 324 G HA3 0.337 4.298 3.960 0.002 0.000 0.296 324 G C -2.240 172.600 174.900 -0.100 0.000 1.507 324 G CA -1.040 44.158 45.100 0.163 0.000 0.823 324 G HN -0.019 nan 8.290 nan 0.000 0.569 325 W N 0.625 121.938 121.300 0.021 0.000 2.656 325 W HA 0.688 5.349 4.660 0.002 0.000 0.327 325 W C 0.254 176.571 176.519 -0.337 0.000 1.041 325 W CA -0.996 56.303 57.345 -0.078 0.000 1.229 325 W CB 2.044 31.561 29.460 0.094 0.000 1.397 325 W HN 0.360 nan 8.180 nan 0.000 0.479 326 R N 4.354 124.773 120.500 -0.136 0.000 2.204 326 R HA 0.349 4.690 4.340 0.002 0.000 0.341 326 R C -1.062 175.062 176.300 -0.294 0.000 1.035 326 R CA -0.530 55.305 56.100 -0.442 0.000 0.887 326 R CB -0.072 29.846 30.300 -0.637 0.000 1.114 326 R HN 0.685 nan 8.270 nan 0.000 0.473 327 L N 3.954 124.899 121.223 -0.462 0.000 2.315 327 L HA 0.181 4.523 4.340 0.002 0.000 0.283 327 L C 0.500 177.164 176.870 -0.343 0.000 1.089 327 L CA -0.416 54.152 54.840 -0.455 0.000 0.833 327 L CB 0.655 42.238 42.059 -0.794 0.000 1.170 327 L HN 0.451 nan 8.230 nan 0.000 0.442 328 D N 2.524 122.827 120.400 -0.161 0.000 2.312 328 D HA 0.251 4.893 4.640 0.002 0.000 0.252 328 D C 0.671 176.952 176.300 -0.031 0.000 1.150 328 D CA -0.109 53.846 54.000 -0.075 0.000 0.870 328 D CB 0.998 41.818 40.800 0.032 0.000 1.153 328 D HN 0.310 nan 8.370 nan 0.000 0.457 329 V N 2.920 122.798 119.914 -0.059 0.000 4.112 329 V HA -0.353 3.768 4.120 0.002 0.000 0.233 329 V C 1.796 177.910 176.094 0.033 0.000 0.458 329 V CA 1.019 63.322 62.300 0.004 0.000 0.909 329 V CB -2.612 29.305 31.823 0.156 0.000 0.963 329 V HN 0.756 nan 8.190 nan 0.000 1.260 330 A N 1.509 124.288 122.820 -0.069 0.000 1.940 330 A HA -0.293 4.028 4.320 0.002 0.000 0.221 330 A C 1.836 179.504 177.584 0.141 0.000 1.190 330 A CA 2.659 54.719 52.037 0.039 0.000 0.647 330 A CB -0.616 18.054 19.000 -0.550 0.000 0.821 330 A HN 1.184 nan 8.150 nan 0.000 0.457 331 N N 0.165 118.769 118.700 -0.160 0.000 2.513 331 N HA -0.121 4.620 4.740 0.002 0.000 0.187 331 N C 0.839 176.495 175.510 0.244 0.000 1.056 331 N CA 1.407 54.396 53.050 -0.103 0.000 0.907 331 N CB -0.496 37.879 38.487 -0.187 0.000 0.954 331 N HN 0.696 nan 8.380 nan 0.000 0.445 332 E N -0.345 119.971 120.200 0.194 0.000 2.394 332 E HA 0.270 4.622 4.350 0.002 0.000 0.191 332 E C -0.336 176.350 176.600 0.143 0.000 1.044 332 E CA -0.143 56.353 56.400 0.159 0.000 0.939 332 E CB 0.231 29.983 29.700 0.086 0.000 1.089 332 E HN 0.446 nan 8.360 nan 0.000 0.456 333 I N 1.184 121.897 120.570 0.239 0.000 2.569 333 I HA 0.112 4.284 4.170 0.002 0.000 0.296 333 I C -0.476 175.705 176.117 0.107 0.000 1.028 333 I CA -1.392 59.944 61.300 0.059 0.000 1.082 333 I CB 1.916 39.800 38.000 -0.192 0.000 1.264 333 I HN 0.004 nan 8.210 nan 0.000 0.429 334 D N 2.559 122.964 120.400 0.008 0.000 2.450 334 D HA -0.010 4.632 4.640 0.002 0.000 0.247 334 D C 0.733 177.127 176.300 0.157 0.000 1.162 334 D CA -0.021 54.049 54.000 0.118 0.000 0.879 334 D CB 0.577 41.436 40.800 0.098 0.000 1.163 334 D HN 0.456 nan 8.370 nan 0.000 0.472 335 H N 0.753 119.949 119.070 0.211 0.000 2.431 335 H HA -0.221 4.336 4.556 0.002 0.000 0.297 335 H C 1.755 177.176 175.328 0.156 0.000 1.115 335 H CA 1.766 57.950 56.048 0.227 0.000 1.277 335 H CB -0.129 29.644 29.762 0.019 0.000 1.372 335 H HN 0.482 nan 8.280 nan 0.000 0.516 336 Q N 0.176 120.107 119.800 0.218 0.000 2.045 336 Q HA -0.189 4.152 4.340 0.002 0.000 0.206 336 Q C 2.115 178.177 176.000 0.104 0.000 0.991 336 Q CA 1.821 57.700 55.803 0.126 0.000 0.851 336 Q CB -0.900 27.889 28.738 0.086 0.000 0.911 336 Q HN 0.533 nan 8.270 nan 0.000 0.418 337 F N -0.847 119.061 119.950 -0.071 0.000 2.063 337 F HA -0.276 4.253 4.527 0.002 0.000 0.298 337 F C 1.660 177.419 175.800 -0.069 0.000 1.109 337 F CA 2.232 60.133 58.000 -0.166 0.000 1.212 337 F CB -0.626 38.140 39.000 -0.390 0.000 0.973 337 F HN 0.234 nan 8.300 nan 0.000 0.480 338 W N 0.532 121.972 121.300 0.233 0.000 2.350 338 W HA -0.145 4.517 4.660 0.002 0.000 0.289 338 W C 2.597 179.145 176.519 0.047 0.000 1.215 338 W CA 0.939 58.344 57.345 0.100 0.000 1.236 338 W CB -0.369 29.040 29.460 -0.084 0.000 1.130 338 W HN -0.093 nan 8.180 nan 0.000 0.541 339 R N 0.453 121.085 120.500 0.220 0.000 2.073 339 R HA -0.151 4.190 4.340 0.002 0.000 0.234 339 R C 1.857 178.199 176.300 0.071 0.000 1.134 339 R CA 1.694 57.870 56.100 0.125 0.000 0.952 339 R CB -0.637 29.710 30.300 0.080 0.000 0.850 339 R HN 0.332 nan 8.270 nan 0.000 0.433 340 E N 0.035 120.221 120.200 -0.022 0.000 2.106 340 E HA -0.191 4.160 4.350 0.002 0.000 0.192 340 E C 1.723 178.269 176.600 -0.090 0.000 0.984 340 E CA 0.982 57.324 56.400 -0.098 0.000 0.806 340 E CB -0.175 29.402 29.700 -0.206 0.000 0.750 340 E HN 0.236 nan 8.360 nan 0.000 0.458 341 F N 2.146 121.946 119.950 -0.251 0.000 2.046 341 F HA -0.262 4.266 4.527 0.002 0.000 0.297 341 F C 2.592 178.424 175.800 0.054 0.000 1.123 341 F CA 2.018 59.950 58.000 -0.113 0.000 1.199 341 F CB -0.102 38.951 39.000 0.088 0.000 0.972 341 F HN -0.208 nan 8.300 nan 0.000 0.474 342 R N 0.331 121.100 120.500 0.448 0.000 2.103 342 R HA -0.236 4.105 4.340 0.002 0.000 0.242 342 R C 2.204 178.549 176.300 0.075 0.000 1.142 342 R CA 2.243 58.516 56.100 0.287 0.000 0.960 342 R CB -0.571 29.876 30.300 0.246 0.000 0.858 342 R HN 0.507 nan 8.270 nan 0.000 0.439 343 Q N -0.221 119.603 119.800 0.040 0.000 2.084 343 Q HA -0.136 4.205 4.340 0.002 0.000 0.202 343 Q C 2.255 178.235 176.000 -0.033 0.000 0.978 343 Q CA 1.621 57.425 55.803 0.002 0.000 0.844 343 Q CB -0.148 28.586 28.738 -0.006 0.000 0.898 343 Q HN 0.510 nan 8.270 nan 0.000 0.426 344 A N 0.969 123.738 122.820 -0.086 0.000 1.858 344 A HA -0.182 4.139 4.320 0.002 0.000 0.216 344 A C 2.387 179.918 177.584 -0.089 0.000 1.190 344 A CA 1.980 53.956 52.037 -0.103 0.000 0.617 344 A CB -1.194 17.707 19.000 -0.164 0.000 0.827 344 A HN 0.334 nan 8.150 nan 0.000 0.443 345 V N -1.966 117.848 119.914 -0.166 0.000 2.237 345 V HA -0.239 3.882 4.120 0.002 0.000 0.245 345 V C 1.980 178.092 176.094 0.029 0.000 1.046 345 V CA 2.305 64.561 62.300 -0.073 0.000 1.007 345 V CB -1.056 30.683 31.823 -0.139 0.000 0.638 345 V HN 0.385 nan 8.190 nan 0.000 0.445 346 K N 1.208 121.632 120.400 0.040 0.000 2.360 346 K HA 0.036 4.358 4.320 0.002 0.000 0.201 346 K C 2.220 178.849 176.600 0.048 0.000 1.046 346 K CA 1.501 57.826 56.287 0.064 0.000 0.940 346 K CB -0.802 31.734 32.500 0.060 0.000 0.748 346 K HN 0.714 nan 8.250 nan 0.000 0.465 347 A N 0.604 123.440 122.820 0.028 0.000 2.067 347 A HA 0.016 4.337 4.320 0.002 0.000 0.217 347 A C 2.042 179.643 177.584 0.029 0.000 1.156 347 A CA 0.520 52.571 52.037 0.023 0.000 0.683 347 A CB -0.126 18.880 19.000 0.009 0.000 0.808 347 A HN 0.218 nan 8.150 nan 0.000 0.455 348 L N -2.079 119.167 121.223 0.038 0.000 2.286 348 L HA 0.279 4.620 4.340 0.002 0.000 0.203 348 L C 0.551 177.455 176.870 0.058 0.000 1.068 348 L CA 0.741 55.608 54.840 0.045 0.000 0.811 348 L CB 0.219 42.310 42.059 0.053 0.000 0.989 348 L HN 0.248 nan 8.230 nan 0.000 0.467 349 K N -0.626 119.821 120.400 0.080 0.000 2.716 349 K HA 0.249 4.571 4.320 0.002 0.000 0.249 349 K C -2.277 174.396 176.600 0.123 0.000 1.004 349 K CA -1.405 54.940 56.287 0.096 0.000 0.968 349 K CB 1.936 34.504 32.500 0.113 0.000 1.214 349 K HN -0.238 nan 8.250 nan 0.000 0.476 350 P HA -0.147 nan 4.420 nan 0.000 0.215 350 P C 0.063 177.474 177.300 0.184 0.000 1.153 350 P CA 1.104 64.277 63.100 0.122 0.000 0.853 350 P CB 0.273 32.032 31.700 0.099 0.000 0.788 351 D N -1.280 119.257 120.400 0.229 0.000 2.392 351 D HA -0.038 4.604 4.640 0.002 0.000 0.228 351 D C 0.121 176.723 176.300 0.505 0.000 1.003 351 D CA 0.377 54.617 54.000 0.400 0.000 0.917 351 D CB -0.599 40.409 40.800 0.347 0.000 0.890 351 D HN 0.018 nan 8.370 nan 0.000 0.532 352 V N 1.907 122.032 119.914 0.351 0.000 2.485 352 V HA -0.134 3.987 4.120 0.002 0.000 0.287 352 V C 0.112 176.443 176.094 0.394 0.000 1.022 352 V CA -0.393 62.135 62.300 0.380 0.000 1.067 352 V CB -0.286 31.713 31.823 0.294 0.000 0.967 352 V HN 0.103 nan 8.190 nan 0.000 0.479 353 Y N 6.563 127.047 120.300 0.306 0.000 2.402 353 Y HA 0.393 4.945 4.550 0.002 0.000 0.333 353 Y C 0.365 176.324 175.900 0.099 0.000 1.076 353 Y CA -0.980 57.187 58.100 0.113 0.000 1.299 353 Y CB 0.591 39.086 38.460 0.057 0.000 1.197 353 Y HN 0.542 nan 8.280 nan 0.000 0.517 354 I N 9.026 129.411 120.570 -0.309 0.000 2.442 354 I HA 0.135 4.306 4.170 0.002 0.000 0.279 354 I C -1.040 174.687 176.117 -0.651 0.000 1.081 354 I CA -0.792 60.371 61.300 -0.228 0.000 1.197 354 I CB 0.415 38.476 38.000 0.101 0.000 1.394 354 I HN 0.408 nan 8.210 nan 0.000 0.488 355 L N 5.450 126.138 121.223 -0.892 0.000 2.292 355 L HA 0.791 5.133 4.340 0.002 0.000 0.284 355 L C 0.268 176.555 176.870 -0.973 0.000 1.065 355 L CA 0.222 54.464 54.840 -0.997 0.000 0.806 355 L CB 1.155 42.567 42.059 -1.078 0.000 1.175 355 L HN 0.409 nan 8.230 nan 0.000 0.431 356 G N 4.830 112.927 108.800 -1.172 0.000 2.441 356 G HA2 0.482 4.444 3.960 0.002 0.000 0.334 356 G HA3 0.482 4.444 3.960 0.002 0.000 0.334 356 G C -1.325 173.077 174.900 -0.831 0.000 1.161 356 G CA -0.669 43.570 45.100 -1.436 0.000 0.935 356 G HN 0.629 nan 8.290 nan 0.000 0.488 357 L N 2.402 123.238 121.223 -0.645 0.000 2.321 357 L HA 0.551 4.893 4.340 0.002 0.000 0.272 357 L C -0.789 175.887 176.870 -0.323 0.000 1.050 357 L CA -0.384 54.255 54.840 -0.335 0.000 0.893 357 L CB -0.337 41.595 42.059 -0.212 0.000 1.272 357 L HN 0.328 nan 8.230 nan 0.000 0.435 358 I N 3.331 123.721 120.570 -0.300 0.000 2.410 358 I HA 0.094 4.266 4.170 0.002 0.000 0.286 358 I C 0.093 176.069 176.117 -0.234 0.000 1.009 358 I CA -0.553 60.522 61.300 -0.375 0.000 1.111 358 I CB 1.991 39.697 38.000 -0.490 0.000 1.262 358 I HN 0.574 nan 8.210 nan 0.000 0.443 359 W N 4.784 125.722 121.300 -0.603 0.000 2.381 359 W HA -0.109 4.552 4.660 0.002 0.000 0.301 359 W C 1.697 178.044 176.519 -0.286 0.000 1.205 359 W CA 1.276 58.314 57.345 -0.511 0.000 1.285 359 W CB -0.169 28.975 29.460 -0.527 0.000 1.133 359 W HN 0.627 nan 8.180 nan 0.000 0.521 360 H N -1.869 117.270 119.070 0.116 0.000 2.560 360 H HA 0.231 4.789 4.556 0.002 0.000 0.266 360 H C -0.175 175.234 175.328 0.137 0.000 1.585 360 H CA -0.382 55.727 56.048 0.101 0.000 1.570 360 H CB -0.958 28.893 29.762 0.149 0.000 1.687 360 H HN -0.241 nan 8.280 nan 0.000 0.837 361 D N -1.179 119.511 120.400 0.482 0.000 2.382 361 D HA 0.296 4.938 4.640 0.002 0.000 0.245 361 D C 0.027 176.689 176.300 0.604 0.000 1.120 361 D CA 0.233 54.486 54.000 0.422 0.000 0.890 361 D CB 0.698 41.658 40.800 0.267 0.000 1.201 361 D HN 0.727 nan 8.370 nan 0.000 0.433 362 A N 4.547 127.736 122.820 0.615 0.000 2.538 362 A HA 0.096 4.417 4.320 0.002 0.000 0.269 362 A C 1.774 179.756 177.584 0.664 0.000 1.231 362 A CA -0.373 52.071 52.037 0.679 0.000 0.948 362 A CB -0.246 18.967 19.000 0.356 0.000 1.110 362 A HN 0.621 nan 8.150 nan 0.000 0.529 363 M N 0.600 120.543 119.600 0.572 0.000 2.103 363 M HA -0.147 4.334 4.480 0.002 0.000 0.255 363 M C -0.787 175.671 176.300 0.263 0.000 1.074 363 M CA 1.992 57.528 55.300 0.392 0.000 1.090 363 M CB -1.818 30.945 32.600 0.272 0.000 1.325 363 M HN 0.137 nan 8.290 nan 0.000 0.403 364 P HA -0.205 nan 4.420 nan 0.000 0.218 364 P C 1.293 178.475 177.300 -0.198 0.000 1.146 364 P CA 1.374 64.368 63.100 -0.178 0.000 0.820 364 P CB -0.267 31.102 31.700 -0.552 0.000 0.778 365 W N -1.820 119.601 121.300 0.200 0.000 2.640 365 W HA 0.235 4.897 4.660 0.002 0.000 0.271 365 W C 1.033 177.603 176.519 0.085 0.000 1.218 365 W CA 0.146 57.544 57.345 0.088 0.000 1.382 365 W CB -0.491 28.995 29.460 0.043 0.000 1.067 365 W HN -0.172 nan 8.180 nan 0.000 0.590 366 L N 1.436 122.891 121.223 0.386 0.000 2.873 366 L HA 0.097 4.439 4.340 0.002 0.000 0.252 366 L C 1.739 178.849 176.870 0.399 0.000 1.266 366 L CA 0.348 55.423 54.840 0.391 0.000 1.111 366 L CB -0.566 41.596 42.059 0.172 0.000 1.440 366 L HN -0.143 nan 8.230 nan 0.000 0.427 367 R N 0.260 120.933 120.500 0.289 0.000 2.276 367 R HA 0.120 4.462 4.340 0.002 0.000 0.196 367 R C 1.510 178.013 176.300 0.338 0.000 0.961 367 R CA 0.645 56.894 56.100 0.247 0.000 1.024 367 R CB 0.249 30.622 30.300 0.123 0.000 0.940 367 R HN 0.574 nan 8.270 nan 0.000 0.480 368 G N 1.569 110.541 108.800 0.287 0.000 2.184 368 G HA2 -0.220 3.741 3.960 0.002 0.000 0.206 368 G HA3 -0.220 3.741 3.960 0.002 0.000 0.206 368 G C 0.470 175.326 174.900 -0.074 0.000 0.995 368 G CA 0.350 45.432 45.100 -0.030 0.000 0.651 368 G HN 0.507 nan 8.290 nan 0.000 0.511 369 D N -0.386 120.018 120.400 0.007 0.000 2.389 369 D HA 0.145 4.786 4.640 0.002 0.000 0.206 369 D C 1.569 177.876 176.300 0.012 0.000 1.055 369 D CA 0.903 54.909 54.000 0.010 0.000 0.856 369 D CB 0.089 40.907 40.800 0.031 0.000 0.957 369 D HN 0.554 nan 8.370 nan 0.000 0.509 370 Q N -0.865 118.921 119.800 -0.023 0.000 2.341 370 Q HA 0.238 4.580 4.340 0.002 0.000 0.173 370 Q C -0.248 175.662 176.000 -0.150 0.000 0.659 370 Q CA -0.308 55.429 55.803 -0.110 0.000 0.776 370 Q CB 0.589 29.198 28.738 -0.214 0.000 1.108 370 Q HN 0.010 nan 8.270 nan 0.000 0.538 371 F N 1.501 121.440 119.950 -0.019 0.000 2.380 371 F HA 0.186 4.714 4.527 0.002 0.000 0.321 371 F C 1.114 176.805 175.800 -0.181 0.000 1.103 371 F CA -0.874 57.028 58.000 -0.163 0.000 1.067 371 F CB 0.490 39.342 39.000 -0.247 0.000 1.265 371 F HN 0.115 nan 8.300 nan 0.000 0.517 372 D N 0.026 120.414 120.400 -0.021 0.000 2.240 372 D HA 0.331 4.972 4.640 0.002 0.000 0.206 372 D C 0.398 176.702 176.300 0.007 0.000 0.963 372 D CA 0.906 54.831 54.000 -0.124 0.000 0.863 372 D CB 0.672 41.339 40.800 -0.221 0.000 0.973 372 D HN 0.467 nan 8.370 nan 0.000 0.501 373 A N -0.531 122.221 122.820 -0.115 0.000 2.438 373 A HA 0.559 4.880 4.320 0.002 0.000 0.301 373 A C -1.553 175.886 177.584 -0.242 0.000 1.101 373 A CA -0.382 51.606 52.037 -0.082 0.000 0.621 373 A CB 0.890 19.902 19.000 0.019 0.000 1.350 373 A HN 0.027 nan 8.150 nan 0.000 0.496 374 V N -2.897 116.907 119.914 -0.185 0.000 3.147 374 V HA 0.703 4.825 4.120 0.002 0.000 0.306 374 V C -0.327 175.722 176.094 -0.076 0.000 1.209 374 V CA -1.211 60.948 62.300 -0.234 0.000 1.023 374 V CB 1.867 33.577 31.823 -0.189 0.000 1.059 374 V HN 0.904 nan 8.190 nan 0.000 0.435 375 M N 3.182 122.758 119.600 -0.040 0.000 2.427 375 M HA 0.160 4.641 4.480 0.002 0.000 0.345 375 M C 0.483 176.838 176.300 0.091 0.000 1.653 375 M CA 0.495 55.861 55.300 0.111 0.000 1.138 375 M CB -0.917 31.811 32.600 0.213 0.000 1.995 375 M HN 0.854 nan 8.290 nan 0.000 0.459 376 N N 3.132 121.859 118.700 0.045 0.000 2.892 376 N HA -0.030 4.711 4.740 0.002 0.000 0.300 376 N C 0.501 175.989 175.510 -0.036 0.000 1.211 376 N CA 0.217 53.290 53.050 0.038 0.000 1.158 376 N CB -0.148 38.371 38.487 0.053 0.000 1.455 376 N HN 0.433 nan 8.380 nan 0.000 0.524 377 Y N 2.067 122.302 120.300 -0.109 0.000 2.145 377 Y HA -0.073 4.478 4.550 0.002 0.000 0.286 377 Y C -0.260 175.504 175.900 -0.226 0.000 1.145 377 Y CA 1.568 59.525 58.100 -0.238 0.000 1.148 377 Y CB -0.876 37.252 38.460 -0.554 0.000 0.981 377 Y HN 0.440 nan 8.280 nan 0.000 0.507 378 P HA -0.231 nan 4.420 nan 0.000 0.218 378 P C 1.675 178.959 177.300 -0.027 0.000 1.146 378 P CA 1.400 64.476 63.100 -0.040 0.000 0.820 378 P CB -0.027 31.678 31.700 0.008 0.000 0.778 379 L N -0.008 121.206 121.223 -0.014 0.000 2.023 379 L HA 0.055 4.396 4.340 0.002 0.000 0.205 379 L C 2.630 179.496 176.870 -0.006 0.000 1.073 379 L CA 1.978 56.809 54.840 -0.015 0.000 0.745 379 L CB -1.530 40.527 42.059 -0.003 0.000 0.900 379 L HN -0.089 nan 8.230 nan 0.000 0.435 380 A N -0.395 122.396 122.820 -0.048 0.000 1.873 380 A HA -0.345 3.977 4.320 0.002 0.000 0.218 380 A C 2.098 179.671 177.584 -0.018 0.000 1.193 380 A CA 2.202 54.205 52.037 -0.057 0.000 0.629 380 A CB -1.347 17.556 19.000 -0.160 0.000 0.826 380 A HN 0.604 nan 8.150 nan 0.000 0.447 381 D N -0.517 119.865 120.400 -0.030 0.000 2.133 381 D HA -0.152 4.489 4.640 0.002 0.000 0.192 381 D C 2.020 178.330 176.300 0.016 0.000 1.001 381 D CA 2.125 56.112 54.000 -0.021 0.000 0.844 381 D CB -0.209 40.552 40.800 -0.064 0.000 0.944 381 D HN 0.406 nan 8.370 nan 0.000 0.447 382 A N 0.449 123.294 122.820 0.043 0.000 1.845 382 A HA 0.050 4.372 4.320 0.002 0.000 0.215 382 A C 2.435 180.153 177.584 0.224 0.000 1.195 382 A CA 2.547 54.673 52.037 0.148 0.000 0.616 382 A CB -1.364 17.696 19.000 0.100 0.000 0.832 382 A HN 0.331 nan 8.150 nan 0.000 0.443 383 A N -0.126 122.814 122.820 0.201 0.000 1.884 383 A HA -0.176 4.146 4.320 0.002 0.000 0.219 383 A C 2.228 179.862 177.584 0.084 0.000 1.197 383 A CA 1.835 53.924 52.037 0.087 0.000 0.637 383 A CB -0.870 18.182 19.000 0.087 0.000 0.827 383 A HN 0.503 nan 8.150 nan 0.000 0.450 384 L N -1.482 119.768 121.223 0.045 0.000 2.012 384 L HA -0.218 4.123 4.340 0.002 0.000 0.210 384 L C 2.857 179.715 176.870 -0.020 0.000 1.073 384 L CA 1.880 56.727 54.840 0.012 0.000 0.748 384 L CB -0.609 41.445 42.059 -0.008 0.000 0.891 384 L HN 0.450 nan 8.230 nan 0.000 0.431 385 R N -0.432 120.059 120.500 -0.015 0.000 2.096 385 R HA -0.249 4.092 4.340 0.002 0.000 0.240 385 R C 2.365 178.613 176.300 -0.087 0.000 1.139 385 R CA 2.184 58.266 56.100 -0.030 0.000 0.952 385 R CB -0.358 29.948 30.300 0.009 0.000 0.854 385 R HN 0.218 nan 8.270 nan 0.000 0.436 386 F N 0.090 119.806 119.950 -0.389 0.000 2.053 386 F HA -0.115 4.414 4.527 0.002 0.000 0.292 386 F C 1.696 177.109 175.800 -0.645 0.000 1.125 386 F CA 1.483 59.061 58.000 -0.703 0.000 1.193 386 F CB -0.606 37.465 39.000 -1.550 0.000 0.996 386 F HN -0.103 nan 8.300 nan 0.000 0.470 387 F N 0.479 120.194 119.950 -0.390 0.000 2.098 387 F HA 0.035 4.564 4.527 0.002 0.000 0.294 387 F C 2.533 178.166 175.800 -0.278 0.000 1.107 387 F CA 1.262 59.033 58.000 -0.381 0.000 1.234 387 F CB -1.563 37.312 39.000 -0.208 0.000 1.002 387 F HN 0.084 nan 8.300 nan 0.000 0.472 388 A N 0.398 123.206 122.820 -0.020 0.000 1.821 388 A HA -0.108 4.214 4.320 0.002 0.000 0.215 388 A C 2.138 179.665 177.584 -0.095 0.000 1.214 388 A CA 1.331 53.328 52.037 -0.067 0.000 0.608 388 A CB -0.582 18.387 19.000 -0.053 0.000 0.862 388 A HN 0.186 nan 8.150 nan 0.000 0.448 389 K N -0.060 120.287 120.400 -0.089 0.000 2.418 389 K HA 0.024 4.345 4.320 0.002 0.000 0.195 389 K C -0.509 176.028 176.600 -0.105 0.000 1.035 389 K CA 0.602 56.840 56.287 -0.082 0.000 1.003 389 K CB -0.058 32.408 32.500 -0.057 0.000 0.793 389 K HN 0.655 nan 8.250 nan 0.000 0.494 390 E N 1.331 121.429 120.200 -0.170 0.000 2.228 390 E HA -0.222 4.129 4.350 0.002 0.000 0.213 390 E C -0.143 176.381 176.600 -0.126 0.000 1.282 390 E CA 0.282 56.555 56.400 -0.212 0.000 0.707 390 E CB -0.729 28.868 29.700 -0.171 0.000 1.150 390 E HN 0.263 nan 8.360 nan 0.000 0.362 391 D N -0.470 119.875 120.400 -0.093 0.000 2.269 391 D HA 0.049 4.690 4.640 0.002 0.000 0.220 391 D C 1.211 177.494 176.300 -0.028 0.000 0.962 391 D CA 1.118 55.088 54.000 -0.050 0.000 0.884 391 D CB 0.204 40.984 40.800 -0.034 0.000 1.023 391 D HN 0.480 nan 8.370 nan 0.000 0.484 392 M N -0.133 119.466 119.600 -0.002 0.000 2.528 392 M HA 0.464 4.945 4.480 0.002 0.000 0.318 392 M C 0.482 176.840 176.300 0.097 0.000 1.195 392 M CA -0.797 54.527 55.300 0.040 0.000 1.000 392 M CB 2.030 34.666 32.600 0.059 0.000 1.615 392 M HN -0.162 nan 8.290 nan 0.000 0.469 393 S N 1.418 117.168 115.700 0.083 0.000 2.641 393 S HA 0.516 4.987 4.470 0.002 0.000 0.261 393 S C 1.032 175.747 174.600 0.192 0.000 1.257 393 S CA -0.185 58.085 58.200 0.117 0.000 0.983 393 S CB 0.883 64.111 63.200 0.047 0.000 0.990 393 S HN 0.901 nan 8.310 nan 0.000 0.572 394 A N 0.531 123.474 122.820 0.205 0.000 1.968 394 A HA 0.061 4.383 4.320 0.002 0.000 0.217 394 A C 2.416 179.968 177.584 -0.053 0.000 1.169 394 A CA 1.627 53.697 52.037 0.054 0.000 0.638 394 A CB -1.395 17.711 19.000 0.176 0.000 0.812 394 A HN 0.831 nan 8.150 nan 0.000 0.446 395 S N -0.564 115.128 115.700 -0.014 0.000 2.362 395 S HA -0.127 4.344 4.470 0.002 0.000 0.221 395 S C 1.878 176.416 174.600 -0.103 0.000 1.032 395 S CA 1.268 59.431 58.200 -0.062 0.000 0.973 395 S CB -0.349 62.836 63.200 -0.025 0.000 0.849 395 S HN 0.643 nan 8.310 nan 0.000 0.465 396 E N 0.040 120.208 120.200 -0.054 0.000 2.114 396 E HA -0.209 4.142 4.350 0.002 0.000 0.199 396 E C 1.771 178.312 176.600 -0.098 0.000 1.008 396 E CA 1.547 57.911 56.400 -0.060 0.000 0.810 396 E CB -0.352 29.337 29.700 -0.018 0.000 0.739 396 E HN 0.614 nan 8.360 nan 0.000 0.456 397 F N 1.616 121.391 119.950 -0.291 0.000 2.069 397 F HA -0.197 4.332 4.527 0.002 0.000 0.298 397 F C 2.330 177.819 175.800 -0.519 0.000 1.113 397 F CA 1.517 59.251 58.000 -0.442 0.000 1.214 397 F CB -0.629 37.892 39.000 -0.798 0.000 0.978 397 F HN -0.052 nan 8.300 nan 0.000 0.474 398 A N 0.102 122.513 122.820 -0.682 0.000 1.908 398 A HA -0.226 4.096 4.320 0.002 0.000 0.218 398 A C 2.037 179.228 177.584 -0.655 0.000 1.181 398 A CA 2.103 53.479 52.037 -1.101 0.000 0.627 398 A CB -1.122 17.371 19.000 -0.845 0.000 0.818 398 A HN 0.486 nan 8.150 nan 0.000 0.445 399 D N -0.717 119.470 120.400 -0.356 0.000 2.088 399 D HA -0.160 4.481 4.640 0.002 0.000 0.191 399 D C 2.088 178.293 176.300 -0.158 0.000 0.992 399 D CA 1.561 55.452 54.000 -0.182 0.000 0.831 399 D CB -0.414 40.316 40.800 -0.118 0.000 0.973 399 D HN 0.244 nan 8.370 nan 0.000 0.447 400 R N 0.338 120.718 120.500 -0.200 0.000 2.154 400 R HA -0.131 4.211 4.340 0.002 0.000 0.248 400 R C 2.149 178.358 176.300 -0.151 0.000 1.155 400 R CA 0.818 56.827 56.100 -0.151 0.000 0.979 400 R CB -0.868 29.335 30.300 -0.161 0.000 0.869 400 R HN 0.148 nan 8.270 nan 0.000 0.452 401 L N -0.870 120.156 121.223 -0.328 0.000 2.044 401 L HA -0.052 4.289 4.340 0.002 0.000 0.205 401 L C 2.110 178.959 176.870 -0.035 0.000 1.075 401 L CA 1.533 56.233 54.840 -0.233 0.000 0.747 401 L CB -0.488 41.327 42.059 -0.406 0.000 0.903 401 L HN 0.172 nan 8.230 nan 0.000 0.435 402 M N -1.256 118.327 119.600 -0.028 0.000 2.106 402 M HA -0.272 4.209 4.480 0.002 0.000 0.259 402 M C 2.388 178.734 176.300 0.078 0.000 1.068 402 M CA 1.709 57.070 55.300 0.101 0.000 1.100 402 M CB -1.407 31.265 32.600 0.119 0.000 1.351 402 M HN 0.360 nan 8.290 nan 0.000 0.404 403 H N 0.728 119.776 119.070 -0.036 0.000 2.267 403 H HA -0.132 4.425 4.556 0.002 0.000 0.297 403 H C 1.918 177.180 175.328 -0.110 0.000 1.080 403 H CA 3.078 59.096 56.048 -0.050 0.000 1.278 403 H CB -0.273 29.486 29.762 -0.005 0.000 1.365 403 H HN 0.164 nan 8.280 nan 0.000 0.489 404 V N -1.007 118.864 119.914 -0.071 0.000 2.255 404 V HA -0.217 3.904 4.120 0.002 0.000 0.247 404 V C 2.565 178.518 176.094 -0.236 0.000 1.051 404 V CA 1.800 63.995 62.300 -0.174 0.000 1.018 404 V CB -1.312 30.492 31.823 -0.031 0.000 0.641 404 V HN 0.289 nan 8.190 nan 0.000 0.445 405 L N 0.298 121.448 121.223 -0.121 0.000 2.021 405 L HA -0.221 4.120 4.340 0.002 0.000 0.215 405 L C 2.749 179.419 176.870 -0.334 0.000 1.074 405 L CA 2.263 57.010 54.840 -0.156 0.000 0.760 405 L CB -1.288 40.684 42.059 -0.145 0.000 0.889 405 L HN 0.467 nan 8.230 nan 0.000 0.433 406 H N -1.860 116.971 119.070 -0.398 0.000 2.556 406 H HA 0.104 4.661 4.556 0.002 0.000 0.268 406 H C 2.069 177.072 175.328 -0.541 0.000 0.996 406 H CA 0.916 56.644 56.048 -0.533 0.000 1.157 406 H CB 0.136 29.287 29.762 -1.019 0.000 1.355 406 H HN 0.448 nan 8.280 nan 0.000 0.597 407 S N -0.469 114.933 115.700 -0.497 0.000 2.575 407 S HA 0.032 4.504 4.470 0.002 0.000 0.215 407 S C 0.086 174.364 174.600 -0.537 0.000 0.966 407 S CA -0.226 57.630 58.200 -0.574 0.000 0.911 407 S CB 0.025 62.808 63.200 -0.696 0.000 0.780 407 S HN 0.072 nan 8.310 nan 0.000 0.514 408 Y N 1.249 121.427 120.300 -0.204 0.000 2.634 408 Y HA 0.675 5.226 4.550 0.002 0.000 0.340 408 Y C -2.722 172.997 175.900 -0.303 0.000 1.058 408 Y CA -2.990 54.979 58.100 -0.220 0.000 1.081 408 Y CB 0.895 39.239 38.460 -0.193 0.000 1.295 408 Y HN -0.085 nan 8.280 nan 0.000 0.487 409 P HA 0.141 nan 4.420 nan 0.000 0.282 409 P C 0.246 177.270 177.300 -0.460 0.000 1.249 409 P CA -0.385 62.268 63.100 -0.746 0.000 0.806 409 P CB 1.770 32.460 31.700 -1.683 0.000 0.984 410 K N 2.208 122.496 120.400 -0.186 0.000 2.066 410 K HA -0.274 4.047 4.320 0.002 0.000 0.221 410 K C 1.978 178.562 176.600 -0.026 0.000 1.056 410 K CA 2.529 58.804 56.287 -0.019 0.000 0.950 410 K CB -0.296 32.268 32.500 0.106 0.000 0.726 410 K HN 0.515 nan 8.250 nan 0.000 0.456 411 Q N 0.148 119.927 119.800 -0.036 0.000 2.291 411 Q HA -0.092 4.249 4.340 0.002 0.000 0.205 411 Q C 1.937 177.801 176.000 -0.225 0.000 0.970 411 Q CA 1.340 57.084 55.803 -0.099 0.000 0.876 411 Q CB -0.225 28.388 28.738 -0.208 0.000 0.935 411 Q HN 0.271 nan 8.270 nan 0.000 0.455 412 V N 2.550 122.191 119.914 -0.454 0.000 2.490 412 V HA -0.219 3.902 4.120 0.002 0.000 0.250 412 V C 1.803 177.776 176.094 -0.202 0.000 1.061 412 V CA 1.843 63.854 62.300 -0.481 0.000 1.064 412 V CB -0.573 30.886 31.823 -0.608 0.000 0.670 412 V HN 0.426 nan 8.190 nan 0.000 0.461 413 N N 0.128 118.754 118.700 -0.123 0.000 2.207 413 N HA -0.106 4.635 4.740 0.002 0.000 0.182 413 N C 1.723 177.224 175.510 -0.014 0.000 1.020 413 N CA 1.014 54.042 53.050 -0.036 0.000 0.858 413 N CB -0.257 38.215 38.487 -0.025 0.000 0.991 413 N HN 0.577 nan 8.380 nan 0.000 0.427 414 E N 0.603 120.791 120.200 -0.020 0.000 2.333 414 E HA -0.100 4.251 4.350 0.002 0.000 0.200 414 E C 0.951 177.566 176.600 0.025 0.000 1.010 414 E CA 0.930 57.329 56.400 -0.001 0.000 0.841 414 E CB 0.011 29.720 29.700 0.014 0.000 0.757 414 E HN 0.345 nan 8.360 nan 0.000 0.508 415 A N 0.760 123.612 122.820 0.053 0.000 2.431 415 A HA 0.463 4.784 4.320 0.002 0.000 0.239 415 A C 0.954 178.639 177.584 0.168 0.000 1.230 415 A CA 0.068 52.172 52.037 0.112 0.000 0.928 415 A CB 0.388 19.493 19.000 0.175 0.000 1.006 415 A HN 0.172 nan 8.150 nan 0.000 0.520 416 A N -0.321 122.563 122.820 0.107 0.000 2.561 416 A HA 0.364 4.685 4.320 0.002 0.000 0.234 416 A C -0.300 177.402 177.584 0.196 0.000 1.055 416 A CA 0.213 52.320 52.037 0.116 0.000 0.756 416 A CB -0.392 18.653 19.000 0.076 0.000 0.986 416 A HN 0.570 nan 8.150 nan 0.000 0.505 417 F N 2.693 122.651 119.950 0.013 0.000 2.334 417 F HA 0.246 4.774 4.527 0.002 0.000 0.365 417 F C 0.182 175.968 175.800 -0.023 0.000 1.124 417 F CA -0.594 57.399 58.000 -0.012 0.000 1.166 417 F CB 0.147 39.090 39.000 -0.095 0.000 1.355 417 F HN 0.620 nan 8.300 nan 0.000 0.532 418 N N 7.720 126.309 118.700 -0.185 0.000 2.420 418 N HA 0.459 5.201 4.740 0.002 0.000 0.249 418 N C -0.944 174.407 175.510 -0.265 0.000 1.033 418 N CA -0.550 52.409 53.050 -0.153 0.000 0.944 418 N CB 1.101 39.571 38.487 -0.029 0.000 1.113 418 N HN 0.541 nan 8.380 nan 0.000 0.502 419 L N -0.726 120.350 121.223 -0.246 0.000 2.309 419 L HA 0.572 4.914 4.340 0.002 0.000 0.261 419 L C -0.233 176.530 176.870 -0.178 0.000 1.021 419 L CA -1.000 53.710 54.840 -0.215 0.000 0.823 419 L CB 1.559 43.493 42.059 -0.210 0.000 1.366 419 L HN 0.427 nan 8.230 nan 0.000 0.423 420 L N 0.332 121.474 121.223 -0.135 0.000 2.575 420 L HA 0.533 4.874 4.340 0.002 0.000 0.228 420 L C 0.809 177.595 176.870 -0.141 0.000 1.075 420 L CA 0.572 55.334 54.840 -0.132 0.000 0.867 420 L CB 0.807 42.782 42.059 -0.140 0.000 1.097 420 L HN 0.949 nan 8.230 nan 0.000 0.485 421 G N -0.854 107.859 108.800 -0.144 0.000 2.608 421 G HA2 0.512 4.473 3.960 0.002 0.000 0.291 421 G HA3 0.512 4.473 3.960 0.002 0.000 0.291 421 G C -1.227 173.507 174.900 -0.277 0.000 1.425 421 G CA 0.358 45.353 45.100 -0.176 0.000 0.787 421 G HN 0.014 nan 8.290 nan 0.000 0.484 422 S N -1.964 113.459 115.700 -0.462 0.000 2.929 422 S HA 0.428 4.900 4.470 0.002 0.000 0.311 422 S C 0.630 174.629 174.600 -1.002 0.000 1.213 422 S CA 0.250 58.038 58.200 -0.687 0.000 0.908 422 S CB 0.633 63.706 63.200 -0.213 0.000 1.287 422 S HN 1.393 nan 8.310 nan 0.000 0.594 423 H N -0.524 118.213 119.070 -0.554 0.000 2.556 423 H HA 0.435 4.992 4.556 0.002 0.000 0.268 423 H C 0.180 175.439 175.328 -0.115 0.000 0.996 423 H CA 0.597 56.515 56.048 -0.217 0.000 1.157 423 H CB -0.320 29.541 29.762 0.165 0.000 1.355 423 H HN 0.455 nan 8.280 nan 0.000 0.597 424 D N 0.709 120.829 120.400 -0.466 0.000 2.454 424 D HA 0.023 4.665 4.640 0.002 0.000 0.214 424 D C 0.522 176.724 176.300 -0.164 0.000 1.088 424 D CA 0.690 54.508 54.000 -0.303 0.000 0.855 424 D CB 0.759 41.337 40.800 -0.369 0.000 1.025 424 D HN 0.486 nan 8.370 nan 0.000 0.502 425 T N -0.250 114.213 114.554 -0.152 0.000 2.940 425 T HA 0.452 4.804 4.350 0.002 0.000 0.288 425 T C -2.834 171.817 174.700 -0.081 0.000 1.033 425 T CA -2.022 60.035 62.100 -0.071 0.000 1.033 425 T CB 2.284 71.148 68.868 -0.007 0.000 1.079 425 T HN -0.254 nan 8.240 nan 0.000 0.496 426 P HA 0.028 nan 4.420 nan 0.000 0.262 426 P C -0.056 177.221 177.300 -0.039 0.000 1.182 426 P CA -0.337 62.740 63.100 -0.039 0.000 0.761 426 P CB 0.411 32.093 31.700 -0.030 0.000 0.795 427 R N 2.489 122.974 120.500 -0.025 0.000 2.500 427 R HA -0.081 4.261 4.340 0.002 0.000 0.281 427 R C 1.577 177.854 176.300 -0.038 0.000 0.953 427 R CA -0.133 55.959 56.100 -0.012 0.000 1.108 427 R CB -0.425 29.861 30.300 -0.024 0.000 0.901 427 R HN 0.486 nan 8.270 nan 0.000 0.410 428 L N 4.019 125.214 121.223 -0.048 0.000 2.064 428 L HA -0.272 4.069 4.340 0.002 0.000 0.216 428 L C 2.044 178.862 176.870 -0.087 0.000 1.077 428 L CA 1.716 56.501 54.840 -0.092 0.000 0.766 428 L CB -0.711 41.256 42.059 -0.153 0.000 0.890 428 L HN 0.683 nan 8.230 nan 0.000 0.435 429 L N -0.862 120.322 121.223 -0.065 0.000 1.961 429 L HA -0.221 4.121 4.340 0.002 0.000 0.210 429 L C 2.735 179.570 176.870 -0.058 0.000 1.072 429 L CA 2.677 57.482 54.840 -0.059 0.000 0.749 429 L CB -1.309 40.726 42.059 -0.040 0.000 0.889 429 L HN 0.615 nan 8.230 nan 0.000 0.432 430 T N -3.265 111.259 114.554 -0.049 0.000 2.721 430 T HA -0.216 4.136 4.350 0.002 0.000 0.268 430 T C 1.766 176.437 174.700 -0.048 0.000 1.038 430 T CA 1.837 63.911 62.100 -0.044 0.000 1.145 430 T CB -1.309 67.537 68.868 -0.037 0.000 0.858 430 T HN 0.186 nan 8.240 nan 0.000 0.459 431 V N 0.267 120.149 119.914 -0.052 0.000 2.759 431 V HA -0.050 4.071 4.120 0.002 0.000 0.256 431 V C 2.699 178.754 176.094 -0.065 0.000 1.080 431 V CA 1.085 63.354 62.300 -0.053 0.000 1.101 431 V CB -0.791 31.001 31.823 -0.052 0.000 0.698 431 V HN 0.670 nan 8.190 nan 0.000 0.477 432 C N 0.568 119.822 119.300 -0.077 0.000 2.791 432 C HA 0.486 4.948 4.460 0.002 0.000 0.270 432 C C 1.913 176.847 174.990 -0.094 0.000 1.257 432 C CA 0.118 59.078 59.018 -0.097 0.000 1.699 432 C CB -1.055 26.615 27.740 -0.116 0.000 1.904 432 C HN 0.793 nan 8.230 nan 0.000 0.603 433 G N 0.477 109.234 108.800 -0.072 0.000 2.176 433 G HA2 0.031 3.992 3.960 0.002 0.000 0.252 433 G HA3 0.031 3.992 3.960 0.002 0.000 0.252 433 G C 0.883 175.746 174.900 -0.062 0.000 1.024 433 G CA 0.472 45.535 45.100 -0.062 0.000 0.755 433 G HN 1.490 nan 8.290 nan 0.000 0.507 434 G N -0.826 107.937 108.800 -0.063 0.000 2.148 434 G HA2 -0.240 3.722 3.960 0.002 0.000 0.254 434 G HA3 -0.240 3.722 3.960 0.002 0.000 0.254 434 G C 0.201 175.060 174.900 -0.068 0.000 0.981 434 G CA 0.904 45.971 45.100 -0.055 0.000 0.670 434 G HN 1.239 nan 8.290 nan 0.000 0.528 435 D N 0.921 121.261 120.400 -0.100 0.000 2.563 435 D HA 0.430 5.072 4.640 0.002 0.000 0.222 435 D C 1.943 178.162 176.300 -0.136 0.000 1.145 435 D CA 0.041 53.960 54.000 -0.135 0.000 1.001 435 D CB 0.374 41.046 40.800 -0.213 0.000 1.049 435 D HN 0.082 nan 8.370 nan 0.000 0.515 436 V N 3.845 123.707 119.914 -0.086 0.000 2.311 436 V HA -0.378 3.744 4.120 0.002 0.000 0.256 436 V C 2.517 178.556 176.094 -0.092 0.000 1.077 436 V CA 1.890 64.150 62.300 -0.066 0.000 1.067 436 V CB -0.544 31.260 31.823 -0.032 0.000 0.659 436 V HN 0.533 nan 8.190 nan 0.000 0.451 437 R N 0.142 120.580 120.500 -0.104 0.000 2.133 437 R HA -0.281 4.060 4.340 0.002 0.000 0.245 437 R C 2.395 178.619 176.300 -0.127 0.000 1.137 437 R CA 2.270 58.315 56.100 -0.091 0.000 0.947 437 R CB -0.515 29.718 30.300 -0.112 0.000 0.865 437 R HN 0.565 nan 8.270 nan 0.000 0.437 438 K N 0.206 120.471 120.400 -0.225 0.000 2.002 438 K HA -0.115 4.207 4.320 0.002 0.000 0.209 438 K C 2.178 178.680 176.600 -0.164 0.000 1.048 438 K CA 1.532 57.704 56.287 -0.190 0.000 0.930 438 K CB -0.407 31.958 32.500 -0.225 0.000 0.714 438 K HN -0.018 nan 8.250 nan 0.000 0.438 439 V N 2.773 122.596 119.914 -0.151 0.000 2.317 439 V HA -0.342 3.780 4.120 0.002 0.000 0.251 439 V C 2.114 178.144 176.094 -0.107 0.000 1.065 439 V CA 2.038 64.247 62.300 -0.153 0.000 1.049 439 V CB -0.534 31.248 31.823 -0.068 0.000 0.651 439 V HN 0.405 nan 8.190 nan 0.000 0.450 440 K N -0.195 120.141 120.400 -0.107 0.000 2.097 440 K HA -0.095 4.226 4.320 0.002 0.000 0.205 440 K C 2.082 178.572 176.600 -0.184 0.000 1.050 440 K CA 1.313 57.476 56.287 -0.207 0.000 0.938 440 K CB -0.364 31.753 32.500 -0.637 0.000 0.718 440 K HN 0.359 nan 8.250 nan 0.000 0.442 441 L N 1.129 122.203 121.223 -0.248 0.000 2.141 441 L HA -0.125 4.216 4.340 0.002 0.000 0.209 441 L C 2.420 178.914 176.870 -0.627 0.000 1.094 441 L CA 0.887 55.503 54.840 -0.374 0.000 0.763 441 L CB -0.410 41.516 42.059 -0.221 0.000 0.908 441 L HN 0.189 nan 8.230 nan 0.000 0.437 442 L N -1.503 119.391 121.223 -0.548 0.000 2.027 442 L HA -0.212 4.129 4.340 0.002 0.000 0.206 442 L C 2.541 179.268 176.870 -0.238 0.000 1.074 442 L CA 1.243 55.772 54.840 -0.518 0.000 0.745 442 L CB -0.423 41.392 42.059 -0.407 0.000 0.898 442 L HN 0.101 nan 8.230 nan 0.000 0.433 443 F N -0.465 119.424 119.950 -0.102 0.000 2.134 443 F HA -0.262 4.267 4.527 0.002 0.000 0.299 443 F C 2.223 177.999 175.800 -0.040 0.000 1.097 443 F CA 1.201 59.187 58.000 -0.025 0.000 1.264 443 F CB -0.709 38.321 39.000 0.050 0.000 1.001 443 F HN -0.032 nan 8.300 nan 0.000 0.479 444 L N -0.299 120.993 121.223 0.115 0.000 1.933 444 L HA -0.262 4.079 4.340 0.002 0.000 0.220 444 L C 2.351 179.282 176.870 0.101 0.000 1.078 444 L CA 1.850 56.691 54.840 0.002 0.000 0.773 444 L CB -1.503 40.443 42.059 -0.188 0.000 0.890 444 L HN 0.175 nan 8.230 nan 0.000 0.434 445 F N 0.424 120.360 119.950 -0.023 0.000 2.063 445 F HA -0.411 4.117 4.527 0.003 0.000 0.298 445 F C 2.751 178.631 175.800 0.133 0.000 1.105 445 F CA 2.699 60.787 58.000 0.147 0.000 1.215 445 F CB -0.656 38.390 39.000 0.077 0.000 0.972 445 F HN 0.529 nan 8.300 nan 0.000 0.483 446 Q N 0.172 120.041 119.800 0.114 0.000 2.119 446 Q HA -0.171 4.170 4.340 0.002 0.000 0.201 446 Q C 1.989 178.006 176.000 0.029 0.000 0.972 446 Q CA 2.003 57.822 55.803 0.027 0.000 0.847 446 Q CB -0.481 28.321 28.738 0.107 0.000 0.903 446 Q HN 0.626 nan 8.270 nan 0.000 0.433 447 L N 0.072 121.335 121.223 0.067 0.000 2.492 447 L HA 0.041 4.383 4.340 0.002 0.000 0.223 447 L C 1.417 178.303 176.870 0.028 0.000 1.132 447 L CA 0.799 55.666 54.840 0.045 0.000 0.850 447 L CB 0.298 42.372 42.059 0.024 0.000 0.966 447 L HN 0.222 nan 8.230 nan 0.000 0.454 448 T N -0.869 113.707 114.554 0.037 0.000 3.293 448 T HA 0.214 4.565 4.350 0.002 0.000 0.276 448 T C -0.732 174.005 174.700 0.061 0.000 1.003 448 T CA -0.305 61.833 62.100 0.063 0.000 0.916 448 T CB -0.216 68.720 68.868 0.113 0.000 1.134 448 T HN -0.024 nan 8.240 nan 0.000 0.530 449 F N 1.847 121.667 119.950 -0.218 0.000 2.539 449 F HA 0.476 5.005 4.527 0.003 0.000 0.318 449 F C 0.249 175.938 175.800 -0.184 0.000 1.135 449 F CA -0.731 57.075 58.000 -0.324 0.000 0.915 449 F CB 1.654 40.286 39.000 -0.613 0.000 1.176 449 F HN -0.073 nan 8.300 nan 0.000 0.440 450 T N 4.164 118.458 114.554 -0.433 0.000 2.928 450 T HA 0.534 4.886 4.350 0.002 0.000 0.305 450 T C 0.410 175.059 174.700 -0.085 0.000 1.035 450 T CA 0.804 62.764 62.100 -0.234 0.000 1.145 450 T CB 0.522 69.223 68.868 -0.278 0.000 0.963 450 T HN 1.104 nan 8.240 nan 0.000 0.545 451 G N 1.083 109.879 108.800 -0.007 0.000 2.332 451 G HA2 0.304 4.265 3.960 0.002 0.000 0.265 451 G HA3 0.304 4.265 3.960 0.002 0.000 0.265 451 G C -0.841 174.094 174.900 0.057 0.000 1.329 451 G CA -0.337 44.793 45.100 0.049 0.000 0.949 451 G HN 0.726 nan 8.290 nan 0.000 0.476 452 S N 2.680 118.430 115.700 0.083 0.000 2.252 452 S HA 0.619 5.090 4.470 0.002 0.000 0.187 452 S C -2.363 172.272 174.600 0.058 0.000 1.587 452 S CA -0.924 57.355 58.200 0.130 0.000 1.215 452 S CB 0.920 64.266 63.200 0.242 0.000 1.085 452 S HN 0.596 nan 8.310 nan 0.000 0.466 453 P HA 0.135 nan 4.420 nan 0.000 0.267 453 P C -0.372 176.933 177.300 0.008 0.000 1.200 453 P CA -0.165 62.921 63.100 -0.024 0.000 0.772 453 P CB 0.546 32.268 31.700 0.036 0.000 0.855 454 C N 4.767 124.008 119.300 -0.097 0.000 2.609 454 C HA 0.650 5.112 4.460 0.002 0.000 0.313 454 C C -0.502 174.575 174.990 0.146 0.000 1.175 454 C CA -0.709 58.334 59.018 0.043 0.000 1.434 454 C CB 0.084 27.658 27.740 -0.276 0.000 2.005 454 C HN 0.490 nan 8.230 nan 0.000 0.471 455 I N 5.050 125.789 120.570 0.281 0.000 2.404 455 I HA 0.264 4.436 4.170 0.002 0.000 0.293 455 I C -0.942 175.304 176.117 0.214 0.000 0.992 455 I CA -0.643 60.847 61.300 0.316 0.000 1.149 455 I CB 1.406 39.670 38.000 0.439 0.000 1.315 455 I HN 0.636 nan 8.210 nan 0.000 0.446 456 Y N 7.614 127.929 120.300 0.025 0.000 2.486 456 Y HA 0.022 4.573 4.550 0.002 0.000 0.348 456 Y C 1.123 176.896 175.900 -0.211 0.000 1.000 456 Y CA -1.193 56.851 58.100 -0.095 0.000 1.253 456 Y CB -0.024 38.383 38.460 -0.088 0.000 1.140 456 Y HN 0.546 nan 8.280 nan 0.000 0.526 457 Y N 3.262 123.150 120.300 -0.687 0.000 2.318 457 Y HA -0.400 4.152 4.550 0.002 0.000 0.271 457 Y C 1.706 177.499 175.900 -0.178 0.000 1.308 457 Y CA 1.940 59.676 58.100 -0.606 0.000 1.120 457 Y CB -1.128 37.041 38.460 -0.486 0.000 0.912 457 Y HN 0.539 nan 8.280 nan 0.000 0.534 458 G N -0.298 107.945 108.800 -0.929 0.000 2.510 458 G HA2 -0.124 3.838 3.960 0.002 0.000 0.212 458 G HA3 -0.124 3.838 3.960 0.002 0.000 0.212 458 G C 1.163 175.968 174.900 -0.158 0.000 1.151 458 G CA 0.596 45.383 45.100 -0.522 0.000 0.817 458 G HN 0.446 nan 8.290 nan 0.000 0.534 459 D N 1.787 122.141 120.400 -0.077 0.000 2.191 459 D HA -0.160 4.481 4.640 0.002 0.000 0.195 459 D C 2.358 178.828 176.300 0.284 0.000 1.003 459 D CA 1.618 55.696 54.000 0.129 0.000 0.867 459 D CB -0.151 40.769 40.800 0.200 0.000 0.926 459 D HN 0.474 nan 8.370 nan 0.000 0.450 460 E N 0.762 121.136 120.200 0.289 0.000 2.153 460 E HA -0.136 4.216 4.350 0.002 0.000 0.194 460 E C 1.608 178.322 176.600 0.190 0.000 0.988 460 E CA 0.627 57.135 56.400 0.179 0.000 0.811 460 E CB -0.648 29.096 29.700 0.072 0.000 0.746 460 E HN 0.479 nan 8.360 nan 0.000 0.466 461 I N -2.207 118.474 120.570 0.184 0.000 3.850 461 I HA 0.548 4.720 4.170 0.002 0.000 0.333 461 I C 1.075 177.226 176.117 0.056 0.000 1.511 461 I CA -0.253 61.130 61.300 0.138 0.000 1.199 461 I CB 0.093 38.152 38.000 0.098 0.000 1.217 461 I HN 0.091 nan 8.210 nan 0.000 0.423 462 G N 1.054 109.898 108.800 0.074 0.000 2.225 462 G HA2 -0.325 3.637 3.960 0.002 0.000 0.267 462 G HA3 -0.325 3.637 3.960 0.002 0.000 0.267 462 G C 0.308 175.199 174.900 -0.014 0.000 1.024 462 G CA 0.277 45.398 45.100 0.035 0.000 0.784 462 G HN 0.505 nan 8.290 nan 0.000 0.507 463 M N 0.670 120.242 119.600 -0.047 0.000 2.252 463 M HA 0.279 4.761 4.480 0.002 0.000 0.348 463 M C 0.994 177.249 176.300 -0.075 0.000 1.334 463 M CA 0.813 56.058 55.300 -0.091 0.000 1.071 463 M CB 0.737 33.235 32.600 -0.169 0.000 1.763 463 M HN 0.262 nan 8.290 nan 0.000 0.452 464 T N 2.229 116.744 114.554 -0.065 0.000 2.895 464 T HA 0.842 5.194 4.350 0.002 0.000 0.283 464 T C -0.385 174.284 174.700 -0.051 0.000 1.014 464 T CA -0.299 61.771 62.100 -0.050 0.000 1.037 464 T CB 1.302 70.148 68.868 -0.036 0.000 1.006 464 T HN 0.904 nan 8.240 nan 0.000 0.468 465 G N 1.312 110.087 108.800 -0.043 0.000 2.404 465 G HA2 0.519 4.480 3.960 0.002 0.000 0.298 465 G HA3 0.519 4.480 3.960 0.002 0.000 0.298 465 G C -0.111 174.768 174.900 -0.034 0.000 1.577 465 G CA -0.097 44.979 45.100 -0.039 0.000 0.847 465 G HN 1.000 nan 8.290 nan 0.000 0.598 466 G N -0.231 108.549 108.800 -0.033 0.000 2.873 466 G HA2 0.427 4.389 3.960 0.002 0.000 0.170 466 G HA3 0.427 4.389 3.960 0.002 0.000 0.170 466 G C 0.435 175.315 174.900 -0.035 0.000 1.608 466 G CA -0.157 44.924 45.100 -0.032 0.000 1.084 466 G HN 0.699 nan 8.290 nan 0.000 0.563 467 N N 0.120 118.798 118.700 -0.036 0.000 2.418 467 N HA 0.066 4.807 4.740 0.002 0.000 0.283 467 N C -0.395 175.088 175.510 -0.046 0.000 1.267 467 N CA -0.483 52.542 53.050 -0.041 0.000 0.975 467 N CB 0.767 39.231 38.487 -0.038 0.000 1.167 467 N HN 0.339 nan 8.380 nan 0.000 0.581 468 D N 0.382 120.750 120.400 -0.053 0.000 2.533 468 D HA -0.017 4.624 4.640 0.002 0.000 0.236 468 D C -1.678 174.599 176.300 -0.039 0.000 1.137 468 D CA -0.522 53.449 54.000 -0.047 0.000 0.867 468 D CB 0.705 41.474 40.800 -0.052 0.000 1.170 468 D HN 0.358 nan 8.370 nan 0.000 0.474 469 P HA 0.163 nan 4.420 nan 0.000 0.259 469 P C 0.540 177.811 177.300 -0.047 0.000 1.530 469 P CA 0.002 63.083 63.100 -0.032 0.000 1.022 469 P CB 0.471 32.165 31.700 -0.010 0.000 1.514 470 E N 0.137 120.308 120.200 -0.047 0.000 2.072 470 E HA -0.116 4.235 4.350 0.002 0.000 0.191 470 E C 1.650 178.222 176.600 -0.046 0.000 0.985 470 E CA 1.604 57.975 56.400 -0.048 0.000 0.801 470 E CB -0.283 29.391 29.700 -0.043 0.000 0.750 470 E HN 0.404 nan 8.360 nan 0.000 0.452 471 C N 0.410 119.692 119.300 -0.031 0.000 2.413 471 C HA -0.011 4.451 4.460 0.002 0.000 0.292 471 C C 1.684 176.688 174.990 0.025 0.000 1.435 471 C CA -0.062 58.967 59.018 0.019 0.000 1.791 471 C CB -1.366 26.400 27.740 0.043 0.000 1.784 471 C HN 0.146 nan 8.230 nan 0.000 0.548 472 R N 1.236 121.702 120.500 -0.057 0.000 2.978 472 R HA 0.216 4.558 4.340 0.002 0.000 0.298 472 R C 0.031 176.281 176.300 -0.083 0.000 1.296 472 R CA -0.058 55.968 56.100 -0.123 0.000 1.181 472 R CB 0.004 30.061 30.300 -0.404 0.000 1.348 472 R HN 0.634 nan 8.270 nan 0.000 0.585 473 K N 0.445 120.795 120.400 -0.083 0.000 2.258 473 K HA 0.151 4.473 4.320 0.002 0.000 0.264 473 K C 0.025 176.544 176.600 -0.136 0.000 1.007 473 K CA -0.508 55.690 56.287 -0.149 0.000 0.941 473 K CB 0.892 33.317 32.500 -0.125 0.000 0.966 473 K HN 0.121 nan 8.250 nan 0.000 0.480 474 C N 3.015 122.125 119.300 -0.315 0.000 2.633 474 C HA -0.000 4.461 4.460 0.002 0.000 0.415 474 C C 0.853 175.754 174.990 -0.148 0.000 1.393 474 C CA -0.716 58.154 59.018 -0.246 0.000 1.700 474 C CB -1.315 26.215 27.740 -0.350 0.000 2.541 474 C HN 0.761 nan 8.230 nan 0.000 0.603 475 M N 4.745 124.291 119.600 -0.089 0.000 2.235 475 M HA 0.086 4.567 4.480 0.002 0.000 0.336 475 M C -0.247 175.702 176.300 -0.584 0.000 1.146 475 M CA 0.697 55.822 55.300 -0.292 0.000 1.018 475 M CB 0.342 32.651 32.600 -0.486 0.000 1.694 475 M HN 0.542 nan 8.290 nan 0.000 0.451 476 V N 7.054 126.604 119.914 -0.607 0.000 2.368 476 V HA 0.098 4.219 4.120 0.002 0.000 0.266 476 V C -0.215 175.476 176.094 -0.672 0.000 1.045 476 V CA -0.077 61.934 62.300 -0.482 0.000 0.899 476 V CB -0.406 31.248 31.823 -0.282 0.000 1.006 476 V HN 1.044 nan 8.190 nan 0.000 0.470 477 W N 1.339 122.501 121.300 -0.230 0.000 3.194 477 W HA 0.302 4.963 4.660 0.002 0.000 0.408 477 W C 0.596 177.027 176.519 -0.147 0.000 1.072 477 W CA -0.530 56.660 57.345 -0.259 0.000 1.953 477 W CB 0.511 29.773 29.460 -0.330 0.000 1.091 477 W HN 0.491 nan 8.180 nan 0.000 0.699 478 D N 0.509 120.915 120.400 0.009 0.000 2.456 478 D HA 0.148 4.789 4.640 0.002 0.000 0.219 478 D C -1.491 174.802 176.300 -0.011 0.000 1.126 478 D CA -2.449 51.557 54.000 0.010 0.000 0.890 478 D CB 1.353 42.147 40.800 -0.010 0.000 1.025 478 D HN -0.157 nan 8.370 nan 0.000 0.511 479 P HA -0.255 nan 4.420 nan 0.000 0.222 479 P C 1.052 178.339 177.300 -0.022 0.000 1.157 479 P CA 1.359 64.454 63.100 -0.009 0.000 0.905 479 P CB 0.285 31.986 31.700 0.002 0.000 0.792 480 E N -0.944 119.246 120.200 -0.016 0.000 2.150 480 E HA -0.206 4.145 4.350 0.002 0.000 0.193 480 E C 1.754 178.341 176.600 -0.021 0.000 0.985 480 E CA 1.012 57.402 56.400 -0.016 0.000 0.814 480 E CB -0.107 29.586 29.700 -0.011 0.000 0.752 480 E HN -0.058 nan 8.360 nan 0.000 0.466 481 K N 0.868 121.251 120.400 -0.029 0.000 2.426 481 K HA 0.009 4.331 4.320 0.002 0.000 0.193 481 K C 0.035 176.607 176.600 -0.047 0.000 1.028 481 K CA 0.148 56.413 56.287 -0.037 0.000 1.047 481 K CB 0.330 32.804 32.500 -0.043 0.000 0.821 481 K HN 0.233 nan 8.250 nan 0.000 0.513 482 Q N 0.089 119.860 119.800 -0.049 0.000 2.282 482 Q HA 0.238 4.579 4.340 0.002 0.000 0.260 482 Q C -0.697 175.295 176.000 -0.013 0.000 0.964 482 Q CA -0.826 54.950 55.803 -0.045 0.000 0.880 482 Q CB 0.973 29.669 28.738 -0.071 0.000 1.286 482 Q HN -0.155 nan 8.270 nan 0.000 0.445 483 N N 2.363 121.071 118.700 0.014 0.000 2.400 483 N HA -0.041 4.701 4.740 0.002 0.000 0.278 483 N C 0.110 175.662 175.510 0.070 0.000 1.247 483 N CA 0.163 53.236 53.050 0.037 0.000 0.970 483 N CB 0.767 39.282 38.487 0.047 0.000 1.312 483 N HN 0.554 nan 8.380 nan 0.000 0.488 484 K N 2.191 122.614 120.400 0.039 0.000 2.283 484 K HA -0.106 4.215 4.320 0.002 0.000 0.202 484 K C 1.535 178.207 176.600 0.121 0.000 1.048 484 K CA 0.897 57.211 56.287 0.045 0.000 0.948 484 K CB 0.096 32.586 32.500 -0.017 0.000 0.742 484 K HN 0.641 nan 8.250 nan 0.000 0.458 485 E N -0.437 119.820 120.200 0.094 0.000 2.072 485 E HA -0.166 4.186 4.350 0.002 0.000 0.190 485 E C 1.736 178.417 176.600 0.135 0.000 0.982 485 E CA 0.762 57.223 56.400 0.103 0.000 0.803 485 E CB -0.037 29.704 29.700 0.067 0.000 0.755 485 E HN 0.143 nan 8.360 nan 0.000 0.453 486 L N 0.346 121.644 121.223 0.125 0.000 2.056 486 L HA -0.153 4.189 4.340 0.002 0.000 0.207 486 L C 2.248 179.198 176.870 0.133 0.000 1.078 486 L CA 1.679 56.596 54.840 0.128 0.000 0.749 486 L CB -0.731 41.405 42.059 0.128 0.000 0.901 486 L HN 0.283 nan 8.230 nan 0.000 0.433 487 Y N 0.139 120.447 120.300 0.013 0.000 2.181 487 Y HA -0.281 4.270 4.550 0.002 0.000 0.288 487 Y C 2.525 178.397 175.900 -0.046 0.000 1.146 487 Y CA 2.099 60.182 58.100 -0.029 0.000 1.164 487 Y CB -0.088 38.376 38.460 0.007 0.000 0.982 487 Y HN 0.273 nan 8.280 nan 0.000 0.515 488 E N -0.762 119.608 120.200 0.283 0.000 2.072 488 E HA -0.200 4.151 4.350 0.002 0.000 0.191 488 E C 2.080 178.696 176.600 0.026 0.000 0.985 488 E CA 1.589 58.085 56.400 0.161 0.000 0.801 488 E CB -0.516 29.280 29.700 0.160 0.000 0.750 488 E HN 0.689 nan 8.360 nan 0.000 0.452 489 H N -0.450 118.605 119.070 -0.025 0.000 2.265 489 H HA -0.129 4.429 4.556 0.002 0.000 0.295 489 H C 1.904 177.131 175.328 -0.169 0.000 1.084 489 H CA 2.483 58.501 56.048 -0.049 0.000 1.261 489 H CB -0.422 29.331 29.762 -0.014 0.000 1.360 489 H HN 0.058 nan 8.280 nan 0.000 0.487 490 V N 0.973 120.687 119.914 -0.333 0.000 2.287 490 V HA -0.289 3.832 4.120 0.002 0.000 0.248 490 V C 2.569 178.400 176.094 -0.439 0.000 1.053 490 V CA 2.300 64.271 62.300 -0.547 0.000 1.027 490 V CB -0.722 30.644 31.823 -0.762 0.000 0.646 490 V HN 0.467 nan 8.190 nan 0.000 0.447 491 K N 0.483 120.625 120.400 -0.431 0.000 2.020 491 K HA -0.310 4.011 4.320 0.002 0.000 0.212 491 K C 2.350 178.812 176.600 -0.229 0.000 1.050 491 K CA 2.360 58.430 56.287 -0.361 0.000 0.929 491 K CB -0.242 32.051 32.500 -0.346 0.000 0.714 491 K HN 0.767 nan 8.250 nan 0.000 0.443 492 Q N -0.106 119.581 119.800 -0.187 0.000 2.119 492 Q HA -0.156 4.185 4.340 0.002 0.000 0.201 492 Q C 2.105 178.019 176.000 -0.143 0.000 0.972 492 Q CA 0.904 56.630 55.803 -0.127 0.000 0.847 492 Q CB -0.239 28.451 28.738 -0.080 0.000 0.903 492 Q HN 0.201 nan 8.270 nan 0.000 0.433 493 L N 1.142 122.225 121.223 -0.235 0.000 2.056 493 L HA -0.045 4.297 4.340 0.002 0.000 0.207 493 L C 2.248 179.035 176.870 -0.138 0.000 1.078 493 L CA 1.368 56.082 54.840 -0.210 0.000 0.749 493 L CB -0.423 41.432 42.059 -0.340 0.000 0.901 493 L HN 0.272 nan 8.230 nan 0.000 0.433 494 I N -0.982 119.487 120.570 -0.168 0.000 2.226 494 I HA -0.310 3.862 4.170 0.002 0.000 0.245 494 I C 2.426 178.488 176.117 -0.090 0.000 1.100 494 I CA 1.272 62.495 61.300 -0.128 0.000 1.374 494 I CB -0.496 37.402 38.000 -0.170 0.000 1.057 494 I HN 0.257 nan 8.210 nan 0.000 0.413 495 A N 0.222 122.985 122.820 -0.094 0.000 2.014 495 A HA -0.138 4.184 4.320 0.002 0.000 0.218 495 A C 2.160 179.729 177.584 -0.024 0.000 1.163 495 A CA 1.073 53.071 52.037 -0.065 0.000 0.652 495 A CB -0.467 18.493 19.000 -0.067 0.000 0.808 495 A HN 0.306 nan 8.150 nan 0.000 0.449 496 L N 0.146 121.367 121.223 -0.005 0.000 2.005 496 L HA -0.091 4.250 4.340 0.002 0.000 0.207 496 L C 2.579 179.521 176.870 0.120 0.000 1.072 496 L CA 2.285 57.176 54.840 0.084 0.000 0.744 496 L CB -0.636 41.454 42.059 0.053 0.000 0.895 496 L HN 0.566 nan 8.230 nan 0.000 0.433 497 R N -0.343 120.187 120.500 0.049 0.000 2.159 497 R HA -0.233 4.108 4.340 0.002 0.000 0.237 497 R C 2.238 178.557 176.300 0.032 0.000 1.131 497 R CA 1.781 57.911 56.100 0.051 0.000 0.982 497 R CB -0.293 30.014 30.300 0.011 0.000 0.868 497 R HN 0.260 nan 8.270 nan 0.000 0.453 498 K N 0.580 120.978 120.400 -0.003 0.000 2.283 498 K HA -0.155 4.167 4.320 0.002 0.000 0.202 498 K C 1.265 177.831 176.600 -0.056 0.000 1.048 498 K CA 1.689 57.957 56.287 -0.032 0.000 0.948 498 K CB 0.210 32.680 32.500 -0.049 0.000 0.742 498 K HN 0.532 nan 8.250 nan 0.000 0.458 499 Q N -1.490 118.262 119.800 -0.080 0.000 2.135 499 Q HA 0.072 4.414 4.340 0.002 0.000 0.231 499 Q C -1.018 174.716 176.000 -0.443 0.000 0.817 499 Q CA -0.370 55.294 55.803 -0.232 0.000 1.073 499 Q CB 0.549 29.115 28.738 -0.286 0.000 1.176 499 Q HN 0.100 nan 8.270 nan 0.000 0.478 500 Y N 0.786 121.076 120.300 -0.016 0.000 2.592 500 Y HA 0.344 4.895 4.550 0.002 0.000 0.354 500 Y C 0.983 176.876 175.900 -0.012 0.000 1.063 500 Y CA -1.175 56.919 58.100 -0.010 0.000 1.205 500 Y CB 0.778 39.234 38.460 -0.007 0.000 1.106 500 Y HN 0.101 nan 8.280 nan 0.000 0.649 501 R N 1.327 121.874 120.500 0.078 0.000 2.189 501 R HA -0.355 3.986 4.340 0.002 0.000 0.252 501 R C 2.087 178.419 176.300 0.054 0.000 1.134 501 R CA 2.366 58.495 56.100 0.048 0.000 0.954 501 R CB -0.193 30.125 30.300 0.031 0.000 0.890 501 R HN 0.725 nan 8.270 nan 0.000 0.443 502 A N 0.976 123.844 122.820 0.079 0.000 1.915 502 A HA -0.225 4.096 4.320 0.002 0.000 0.220 502 A C 2.278 179.868 177.584 0.011 0.000 1.198 502 A CA 2.041 54.103 52.037 0.041 0.000 0.647 502 A CB -0.769 18.265 19.000 0.057 0.000 0.825 502 A HN 0.437 nan 8.150 nan 0.000 0.456 503 L N -1.027 120.223 121.223 0.046 0.000 2.131 503 L HA -0.188 4.153 4.340 0.002 0.000 0.210 503 L C 2.597 179.458 176.870 -0.014 0.000 1.092 503 L CA 1.845 56.697 54.840 0.021 0.000 0.759 503 L CB -0.433 41.660 42.059 0.058 0.000 0.903 503 L HN 0.663 nan 8.230 nan 0.000 0.435 504 R N -1.173 119.325 120.500 -0.003 0.000 2.437 504 R HA 0.185 4.526 4.340 0.002 0.000 0.257 504 R C 1.571 177.852 176.300 -0.032 0.000 0.927 504 R CA -0.069 56.020 56.100 -0.018 0.000 1.078 504 R CB 0.298 30.599 30.300 0.002 0.000 1.161 504 R HN 0.147 nan 8.270 nan 0.000 0.529 505 R N 0.242 120.723 120.500 -0.033 0.000 2.582 505 R HA 0.191 4.532 4.340 0.002 0.000 0.285 505 R C 0.476 176.749 176.300 -0.045 0.000 0.940 505 R CA 0.267 56.350 56.100 -0.028 0.000 1.072 505 R CB 1.524 31.827 30.300 0.005 0.000 1.527 505 R HN 0.200 nan 8.270 nan 0.000 0.538 506 G N 0.715 109.476 108.800 -0.065 0.000 2.588 506 G HA2 0.141 4.102 3.960 0.002 0.000 0.278 506 G HA3 0.141 4.102 3.960 0.002 0.000 0.278 506 G C -0.516 174.296 174.900 -0.146 0.000 1.307 506 G CA -0.359 44.694 45.100 -0.078 0.000 1.016 506 G HN -0.027 nan 8.290 nan 0.000 0.503 507 D N -0.454 119.863 120.400 -0.138 0.000 2.181 507 D HA 0.364 5.005 4.640 0.002 0.000 0.248 507 D C 0.804 176.970 176.300 -0.222 0.000 1.020 507 D CA -0.294 53.595 54.000 -0.185 0.000 0.891 507 D CB 2.021 42.745 40.800 -0.126 0.000 1.187 507 D HN 0.326 nan 8.370 nan 0.000 0.443 508 V N -1.832 117.895 119.914 -0.312 0.000 3.264 508 V HA 0.778 4.899 4.120 0.002 0.000 0.304 508 V C -0.068 175.880 176.094 -0.243 0.000 1.086 508 V CA -0.709 61.367 62.300 -0.374 0.000 1.090 508 V CB 1.067 32.578 31.823 -0.521 0.000 1.112 508 V HN 0.751 nan 8.190 nan 0.000 0.472 509 A N 2.308 124.949 122.820 -0.297 0.000 2.626 509 A HA 0.651 4.972 4.320 0.002 0.000 0.293 509 A C -1.074 176.450 177.584 -0.101 0.000 1.111 509 A CA -0.432 51.540 52.037 -0.109 0.000 0.874 509 A CB 0.111 19.088 19.000 -0.037 0.000 1.451 509 A HN 0.707 nan 8.150 nan 0.000 0.396 510 F N 1.892 121.919 119.950 0.128 0.000 2.424 510 F HA 0.391 4.920 4.527 0.003 0.000 0.356 510 F C 0.738 176.614 175.800 0.128 0.000 1.110 510 F CA -0.391 57.711 58.000 0.170 0.000 1.161 510 F CB 1.323 40.402 39.000 0.131 0.000 1.115 510 F HN 0.387 nan 8.300 nan 0.000 0.507 511 L N 2.967 124.364 121.223 0.290 0.000 3.001 511 L HA 0.136 4.477 4.340 0.002 0.000 0.234 511 L C 0.945 177.936 176.870 0.201 0.000 1.321 511 L CA 0.028 54.985 54.840 0.195 0.000 1.138 511 L CB -1.065 41.082 42.059 0.146 0.000 1.503 511 L HN 0.607 nan 8.230 nan 0.000 0.487 512 T N 0.785 115.480 114.554 0.235 0.000 2.908 512 T HA 0.376 4.727 4.350 0.002 0.000 0.325 512 T C 0.209 174.980 174.700 0.117 0.000 1.092 512 T CA 0.222 62.428 62.100 0.177 0.000 1.125 512 T CB 0.384 69.325 68.868 0.122 0.000 1.016 512 T HN 0.466 nan 8.240 nan 0.000 0.550 513 A N 3.450 126.329 122.820 0.099 0.000 2.385 513 A HA 0.429 4.750 4.320 0.002 0.000 0.290 513 A C 0.580 178.187 177.584 0.039 0.000 1.094 513 A CA -0.710 51.367 52.037 0.067 0.000 0.729 513 A CB 1.053 20.098 19.000 0.076 0.000 1.194 513 A HN 0.877 nan 8.150 nan 0.000 0.442 514 D N 1.775 122.188 120.400 0.022 0.000 2.400 514 D HA -0.086 4.555 4.640 0.002 0.000 0.242 514 D C -0.056 176.241 176.300 -0.005 0.000 1.077 514 D CA 1.380 55.383 54.000 0.005 0.000 0.943 514 D CB 0.329 41.128 40.800 -0.001 0.000 0.882 514 D HN 0.676 nan 8.370 nan 0.000 0.529 515 D N 0.190 120.587 120.400 -0.006 0.000 2.716 515 D HA -0.051 4.590 4.640 0.002 0.000 0.273 515 D C 0.453 176.713 176.300 -0.067 0.000 1.024 515 D CA 0.201 54.186 54.000 -0.026 0.000 0.944 515 D CB 0.150 40.942 40.800 -0.014 0.000 1.186 515 D HN -0.009 nan 8.370 nan 0.000 0.485 516 E N 1.780 121.937 120.200 -0.072 0.000 1.972 516 E HA 0.076 4.427 4.350 0.002 0.000 0.292 516 E C 0.835 177.374 176.600 -0.101 0.000 1.193 516 E CA -0.084 56.194 56.400 -0.203 0.000 1.228 516 E CB 0.485 30.100 29.700 -0.142 0.000 1.167 516 E HN 0.072 nan 8.360 nan 0.000 0.479 517 V N 1.364 121.227 119.914 -0.085 0.000 2.982 517 V HA -0.250 3.871 4.120 0.002 0.000 0.265 517 V C 1.032 177.139 176.094 0.021 0.000 1.122 517 V CA 1.676 63.965 62.300 -0.018 0.000 1.143 517 V CB -0.798 31.006 31.823 -0.033 0.000 0.726 517 V HN 0.530 nan 8.190 nan 0.000 0.507 518 N N -2.331 116.358 118.700 -0.019 0.000 2.160 518 N HA 0.174 4.916 4.740 0.002 0.000 0.226 518 N C -0.009 175.663 175.510 0.270 0.000 1.256 518 N CA -0.157 52.932 53.050 0.065 0.000 0.890 518 N CB 0.510 38.987 38.487 -0.017 0.000 1.116 518 N HN 0.561 nan 8.380 nan 0.000 0.517 519 H N 1.168 120.313 119.070 0.124 0.000 2.504 519 H HA 0.336 4.894 4.556 0.002 0.000 0.322 519 H C -1.109 174.347 175.328 0.213 0.000 1.055 519 H CA -0.939 55.200 56.048 0.150 0.000 1.231 519 H CB 1.957 31.786 29.762 0.110 0.000 1.417 519 H HN -0.020 nan 8.280 nan 0.000 0.472 520 L N 4.619 126.078 121.223 0.394 0.000 2.356 520 L HA 0.549 4.890 4.340 0.002 0.000 0.277 520 L C -1.525 175.564 176.870 0.365 0.000 0.996 520 L CA -0.772 54.305 54.840 0.395 0.000 0.822 520 L CB 1.651 43.969 42.059 0.433 0.000 1.256 520 L HN 0.436 nan 8.230 nan 0.000 0.413 521 V N 7.285 127.413 119.914 0.356 0.000 2.623 521 V HA 0.715 4.836 4.120 0.002 0.000 0.304 521 V C -1.574 174.696 176.094 0.293 0.000 1.054 521 V CA -0.221 62.215 62.300 0.226 0.000 0.882 521 V CB 1.576 33.496 31.823 0.162 0.000 1.002 521 V HN 0.912 nan 8.190 nan 0.000 0.424 522 Y N 4.295 124.685 120.300 0.149 0.000 2.581 522 Y HA 0.974 5.526 4.550 0.002 0.000 0.345 522 Y C -0.515 175.356 175.900 -0.048 0.000 1.036 522 Y CA -0.756 57.317 58.100 -0.044 0.000 1.042 522 Y CB 1.865 40.107 38.460 -0.364 0.000 1.289 522 Y HN 0.847 nan 8.280 nan 0.000 0.471 523 A N 2.556 125.454 122.820 0.131 0.000 2.393 523 A HA 0.737 5.058 4.320 0.002 0.000 0.306 523 A C -1.411 176.201 177.584 0.047 0.000 1.050 523 A CA -1.132 50.944 52.037 0.065 0.000 0.724 523 A CB 1.453 20.468 19.000 0.024 0.000 1.248 523 A HN 0.560 nan 8.150 nan 0.000 0.424 524 K N 1.600 122.023 120.400 0.038 0.000 2.159 524 K HA 0.701 5.022 4.320 0.002 0.000 0.266 524 K C -0.655 175.935 176.600 -0.018 0.000 0.975 524 K CA -0.155 56.121 56.287 -0.019 0.000 0.865 524 K CB 1.713 34.204 32.500 -0.015 0.000 1.087 524 K HN 0.794 nan 8.250 nan 0.000 0.446 525 T N -0.622 113.913 114.554 -0.033 0.000 2.909 525 T HA 0.421 4.772 4.350 0.002 0.000 0.299 525 T C -1.180 173.513 174.700 -0.012 0.000 1.073 525 T CA -0.887 61.205 62.100 -0.013 0.000 0.999 525 T CB 1.965 70.825 68.868 -0.014 0.000 1.098 525 T HN 0.492 nan 8.240 nan 0.000 0.477 526 D N 0.005 120.410 120.400 0.009 0.000 2.351 526 D HA 0.489 5.130 4.640 0.002 0.000 0.235 526 D C 0.933 177.247 176.300 0.023 0.000 1.331 526 D CA 0.882 54.890 54.000 0.014 0.000 0.959 526 D CB -0.090 40.723 40.800 0.021 0.000 1.432 526 D HN 0.955 nan 8.370 nan 0.000 0.544 527 G N 3.492 112.303 108.800 0.017 0.000 2.601 527 G HA2 -0.478 3.484 3.960 0.002 0.000 0.306 527 G HA3 -0.478 3.484 3.960 0.002 0.000 0.306 527 G C 1.060 175.977 174.900 0.027 0.000 1.172 527 G CA 0.668 45.781 45.100 0.021 0.000 0.966 527 G HN 0.562 nan 8.290 nan 0.000 0.542 528 N N 1.290 120.011 118.700 0.036 0.000 2.148 528 N HA 0.088 4.830 4.740 0.002 0.000 0.186 528 N C 1.024 176.565 175.510 0.053 0.000 1.031 528 N CA 0.638 53.715 53.050 0.045 0.000 0.848 528 N CB 0.038 38.556 38.487 0.053 0.000 1.005 528 N HN 0.681 nan 8.380 nan 0.000 0.427 529 E N 1.499 121.737 120.200 0.064 0.000 2.729 529 E HA -0.048 4.303 4.350 0.002 0.000 0.246 529 E C -1.143 175.493 176.600 0.060 0.000 0.984 529 E CA 0.598 57.050 56.400 0.086 0.000 0.951 529 E CB 0.292 30.056 29.700 0.107 0.000 0.914 529 E HN 0.061 nan 8.360 nan 0.000 0.509 530 T N 3.947 118.532 114.554 0.052 0.000 2.937 530 T HA 0.353 4.704 4.350 0.002 0.000 0.297 530 T C -1.112 173.585 174.700 -0.005 0.000 0.991 530 T CA -0.631 61.482 62.100 0.022 0.000 0.990 530 T CB 1.279 70.159 68.868 0.019 0.000 0.991 530 T HN 0.189 nan 8.240 nan 0.000 0.440 531 V N 4.184 124.084 119.914 -0.023 0.000 2.495 531 V HA 0.588 4.710 4.120 0.002 0.000 0.298 531 V C -0.281 175.794 176.094 -0.031 0.000 1.031 531 V CA -0.863 61.397 62.300 -0.066 0.000 0.871 531 V CB 1.790 33.539 31.823 -0.123 0.000 0.988 531 V HN 0.824 nan 8.190 nan 0.000 0.432 532 M N 5.463 125.054 119.600 -0.014 0.000 2.300 532 M HA 0.672 5.153 4.480 0.002 0.000 0.348 532 M C -1.246 175.015 176.300 -0.065 0.000 1.151 532 M CA -0.083 55.214 55.300 -0.005 0.000 1.046 532 M CB 1.200 33.845 32.600 0.075 0.000 1.647 532 M HN 0.482 nan 8.290 nan 0.000 0.451 533 I N 5.745 126.183 120.570 -0.221 0.000 2.436 533 I HA 0.500 4.671 4.170 0.002 0.000 0.289 533 I C -0.998 174.982 176.117 -0.228 0.000 1.010 533 I CA -0.201 60.897 61.300 -0.337 0.000 1.098 533 I CB 1.597 39.086 38.000 -0.852 0.000 1.266 533 I HN 0.599 nan 8.210 nan 0.000 0.434 534 I N 6.865 127.416 120.570 -0.031 0.000 2.465 534 I HA 0.544 4.715 4.170 0.002 0.000 0.291 534 I C -0.767 175.442 176.117 0.152 0.000 1.014 534 I CA -0.589 60.751 61.300 0.067 0.000 1.093 534 I CB 1.809 39.865 38.000 0.094 0.000 1.267 534 I HN 0.311 nan 8.210 nan 0.000 0.431 535 I N 4.774 125.469 120.570 0.209 0.000 2.512 535 I HA 0.203 4.374 4.170 0.002 0.000 0.287 535 I C -0.753 175.511 176.117 0.244 0.000 1.069 535 I CA -0.553 60.929 61.300 0.303 0.000 1.056 535 I CB 2.163 40.443 38.000 0.467 0.000 1.229 535 I HN 0.504 nan 8.210 nan 0.000 0.429 536 N N 5.924 124.724 118.700 0.166 0.000 2.645 536 N HA 0.117 4.858 4.740 0.002 0.000 0.233 536 N C 0.005 175.550 175.510 0.059 0.000 1.058 536 N CA -0.364 52.729 53.050 0.071 0.000 0.942 536 N CB 0.637 39.099 38.487 -0.042 0.000 1.210 536 N HN 0.390 nan 8.380 nan 0.000 0.512 537 R N 2.837 123.395 120.500 0.096 0.000 4.556 537 R HA 0.169 4.510 4.340 0.002 0.000 0.197 537 R C -0.926 175.205 176.300 -0.283 0.000 1.791 537 R CA 0.094 56.176 56.100 -0.029 0.000 1.526 537 R CB -0.995 29.214 30.300 -0.151 0.000 1.410 537 R HN 0.502 nan 8.270 nan 0.000 0.826 538 S N 0.130 115.504 115.700 -0.544 0.000 2.595 538 S HA 0.265 4.737 4.470 0.002 0.000 0.281 538 S C -0.102 173.985 174.600 -0.855 0.000 1.117 538 S CA -0.724 57.165 58.200 -0.519 0.000 0.873 538 S CB 1.512 64.611 63.200 -0.168 0.000 1.108 538 S HN 0.486 nan 8.310 nan 0.000 0.477 539 N N 1.974 120.385 118.700 -0.482 0.000 2.327 539 N HA 0.256 4.997 4.740 0.002 0.000 0.231 539 N C -0.807 174.639 175.510 -0.107 0.000 1.130 539 N CA 0.181 53.083 53.050 -0.247 0.000 0.845 539 N CB 0.023 38.524 38.487 0.023 0.000 1.073 539 N HN 0.652 nan 8.380 nan 0.000 0.496 540 E N -0.880 119.245 120.200 -0.125 0.000 2.429 540 E HA 0.553 4.904 4.350 0.002 0.000 0.276 540 E C -1.118 175.453 176.600 -0.048 0.000 0.953 540 E CA -1.060 55.307 56.400 -0.054 0.000 0.787 540 E CB 1.363 31.043 29.700 -0.032 0.000 1.307 540 E HN 0.113 nan 8.360 nan 0.000 0.458 541 A N 1.087 123.893 122.820 -0.024 0.000 2.488 541 A HA 0.582 4.903 4.320 0.002 0.000 0.249 541 A C -0.278 177.300 177.584 -0.010 0.000 1.083 541 A CA 0.268 52.292 52.037 -0.021 0.000 0.768 541 A CB 0.140 19.132 19.000 -0.014 0.000 1.017 541 A HN 0.547 nan 8.150 nan 0.000 0.496 542 A N 1.894 124.698 122.820 -0.026 0.000 2.386 542 A HA 0.777 5.098 4.320 0.002 0.000 0.308 542 A C -0.313 177.239 177.584 -0.054 0.000 1.128 542 A CA -0.556 51.468 52.037 -0.022 0.000 0.789 542 A CB 1.158 20.104 19.000 -0.090 0.000 1.325 542 A HN 0.837 nan 8.150 nan 0.000 0.437 543 E N 1.132 121.313 120.200 -0.033 0.000 2.325 543 E HA 0.508 4.859 4.350 0.002 0.000 0.248 543 E C -1.709 174.875 176.600 -0.027 0.000 0.912 543 E CA -0.188 56.201 56.400 -0.019 0.000 0.782 543 E CB 0.776 30.489 29.700 0.023 0.000 1.264 543 E HN 0.556 nan 8.360 nan 0.000 0.417 544 I N 6.456 126.979 120.570 -0.078 0.000 2.355 544 I HA 0.324 4.496 4.170 0.002 0.000 0.288 544 I C -2.132 174.006 176.117 0.034 0.000 0.999 544 I CA -2.360 58.910 61.300 -0.049 0.000 1.163 544 I CB 1.614 39.515 38.000 -0.166 0.000 1.316 544 I HN 0.289 nan 8.210 nan 0.000 0.454 545 P HA 0.088 nan 4.420 nan 0.000 0.276 545 P C -0.915 176.426 177.300 0.069 0.000 1.243 545 P CA -0.244 62.895 63.100 0.065 0.000 0.768 545 P CB 1.188 32.929 31.700 0.068 0.000 0.856 546 M N 6.077 125.711 119.600 0.058 0.000 2.167 546 M HA 0.429 4.911 4.480 0.002 0.000 0.333 546 M C -2.762 173.556 176.300 0.031 0.000 1.030 546 M CA -2.708 52.624 55.300 0.054 0.000 0.963 546 M CB 2.188 34.825 32.600 0.061 0.000 1.589 546 M HN -0.002 nan 8.290 nan 0.000 0.431 547 P HA 0.152 nan 4.420 nan 0.000 0.264 547 P C -1.065 176.237 177.300 0.003 0.000 1.229 547 P CA 0.445 63.559 63.100 0.024 0.000 0.780 547 P CB 0.032 31.754 31.700 0.035 0.000 0.808 548 I N 3.123 123.687 120.570 -0.010 0.000 2.312 548 I HA 0.120 4.291 4.170 0.002 0.000 0.291 548 I C 0.835 176.942 176.117 -0.017 0.000 1.031 548 I CA -0.600 60.681 61.300 -0.031 0.000 1.293 548 I CB 0.692 38.666 38.000 -0.044 0.000 1.403 548 I HN 0.275 nan 8.210 nan 0.000 0.484 549 D N 5.237 125.628 120.400 -0.015 0.000 2.533 549 D HA 0.033 4.675 4.640 0.002 0.000 0.236 549 D C 1.177 177.472 176.300 -0.008 0.000 1.137 549 D CA 0.416 54.413 54.000 -0.006 0.000 0.867 549 D CB 1.344 42.143 40.800 -0.001 0.000 1.170 549 D HN 0.640 nan 8.370 nan 0.000 0.474 550 A N 4.878 127.694 122.820 -0.006 0.000 1.903 550 A HA -0.265 4.056 4.320 0.002 0.000 0.219 550 A C 1.965 179.539 177.584 -0.016 0.000 1.191 550 A CA 1.576 53.606 52.037 -0.012 0.000 0.638 550 A CB -0.404 18.588 19.000 -0.014 0.000 0.823 550 A HN 0.778 nan 8.150 nan 0.000 0.451 551 R N 0.117 120.611 120.500 -0.011 0.000 2.357 551 R HA 0.073 4.414 4.340 0.002 0.000 0.202 551 R C 1.142 177.456 176.300 0.023 0.000 1.047 551 R CA 0.107 56.203 56.100 -0.006 0.000 1.034 551 R CB -0.543 29.757 30.300 -0.000 0.000 0.875 551 R HN 0.457 nan 8.270 nan 0.000 0.473 552 G N 1.153 109.963 108.800 0.016 0.000 2.491 552 G HA2 -0.036 3.925 3.960 0.002 0.000 0.242 552 G HA3 -0.036 3.925 3.960 0.002 0.000 0.242 552 G C 0.232 175.159 174.900 0.045 0.000 1.266 552 G CA -0.322 44.790 45.100 0.020 0.000 0.844 552 G HN 0.179 nan 8.290 nan 0.000 0.571 553 K N 0.665 121.072 120.400 0.013 0.000 2.312 553 K HA 0.173 4.495 4.320 0.002 0.000 0.206 553 K C -0.090 176.211 176.600 -0.498 0.000 1.121 553 K CA -0.269 55.928 56.287 -0.149 0.000 0.923 553 K CB 0.521 32.880 32.500 -0.235 0.000 1.162 553 K HN 0.587 nan 8.250 nan 0.000 0.478 554 W N 0.235 121.480 121.300 -0.093 0.000 2.894 554 W HA 0.566 5.227 4.660 0.002 0.000 0.345 554 W C -1.342 175.049 176.519 -0.213 0.000 1.152 554 W CA -1.150 56.099 57.345 -0.161 0.000 1.089 554 W CB 1.298 30.669 29.460 -0.147 0.000 1.454 554 W HN -0.167 nan 8.180 nan 0.000 0.589 555 L N 2.306 123.524 121.223 -0.009 0.000 2.596 555 L HA 0.480 4.821 4.340 0.002 0.000 0.265 555 L C -1.076 175.635 176.870 -0.264 0.000 0.962 555 L CA -0.598 54.067 54.840 -0.293 0.000 0.891 555 L CB 1.399 43.009 42.059 -0.750 0.000 1.248 555 L HN 0.210 nan 8.230 nan 0.000 0.410 556 V N 4.034 123.934 119.914 -0.023 0.000 2.667 556 V HA 0.597 4.718 4.120 0.002 0.000 0.308 556 V C -0.526 175.676 176.094 0.181 0.000 1.048 556 V CA -0.504 61.834 62.300 0.063 0.000 0.928 556 V CB 2.058 33.895 31.823 0.023 0.000 1.004 556 V HN 0.880 nan 8.190 nan 0.000 0.444 557 N N 4.194 122.998 118.700 0.172 0.000 2.462 557 N HA 0.272 5.014 4.740 0.002 0.000 0.242 557 N C 0.509 176.007 175.510 -0.019 0.000 1.010 557 N CA -0.799 52.261 53.050 0.016 0.000 0.939 557 N CB 1.125 39.635 38.487 0.038 0.000 1.127 557 N HN 0.700 nan 8.380 nan 0.000 0.509 558 L N 3.847 125.029 121.223 -0.068 0.000 2.353 558 L HA -0.112 4.229 4.340 0.002 0.000 0.220 558 L C 1.643 178.509 176.870 -0.006 0.000 1.133 558 L CA 1.215 56.036 54.840 -0.032 0.000 0.798 558 L CB -0.472 41.531 42.059 -0.094 0.000 0.922 558 L HN 0.741 nan 8.230 nan 0.000 0.445 559 L N -2.232 118.974 121.223 -0.029 0.000 2.187 559 L HA -0.049 4.292 4.340 0.002 0.000 0.197 559 L C 2.366 179.230 176.870 -0.010 0.000 1.090 559 L CA 1.010 55.846 54.840 -0.007 0.000 0.781 559 L CB -0.665 41.386 42.059 -0.014 0.000 0.956 559 L HN 0.052 nan 8.230 nan 0.000 0.463 560 T N -1.272 113.267 114.554 -0.025 0.000 2.915 560 T HA -0.018 4.333 4.350 0.002 0.000 0.269 560 T C 1.367 176.072 174.700 0.009 0.000 1.071 560 T CA 1.402 63.496 62.100 -0.010 0.000 1.132 560 T CB -0.124 68.737 68.868 -0.012 0.000 0.878 560 T HN 0.693 nan 8.240 nan 0.000 0.479 561 G N 0.956 109.768 108.800 0.019 0.000 2.383 561 G HA2 -0.272 3.689 3.960 0.002 0.000 0.229 561 G HA3 -0.272 3.689 3.960 0.002 0.000 0.229 561 G C 0.145 175.069 174.900 0.041 0.000 1.089 561 G CA 0.363 45.476 45.100 0.023 0.000 0.640 561 G HN 0.684 nan 8.290 nan 0.000 0.510 562 E N 1.477 121.716 120.200 0.066 0.000 2.820 562 E HA 0.091 4.442 4.350 0.002 0.000 0.251 562 E C 0.466 177.187 176.600 0.201 0.000 0.944 562 E CA 0.113 56.582 56.400 0.113 0.000 0.955 562 E CB 0.189 29.965 29.700 0.127 0.000 0.904 562 E HN 0.390 nan 8.360 nan 0.000 0.513 563 R N 6.142 126.718 120.500 0.126 0.000 2.358 563 R HA 0.176 4.517 4.340 0.002 0.000 0.309 563 R C -1.429 174.948 176.300 0.129 0.000 1.026 563 R CA -0.509 55.625 56.100 0.056 0.000 0.909 563 R CB -0.045 30.147 30.300 -0.179 0.000 1.153 563 R HN 0.391 nan 8.270 nan 0.000 0.515 564 F N 1.237 121.238 119.950 0.085 0.000 2.450 564 F HA 0.772 5.300 4.527 0.003 0.000 0.328 564 F C -0.115 175.892 175.800 0.346 0.000 1.068 564 F CA -1.778 56.323 58.000 0.167 0.000 1.007 564 F CB 0.574 39.638 39.000 0.106 0.000 1.251 564 F HN 0.381 nan 8.300 nan 0.000 0.492 565 A N 1.516 124.637 122.820 0.503 0.000 2.409 565 A HA 0.642 4.964 4.320 0.002 0.000 0.267 565 A C 0.256 177.889 177.584 0.083 0.000 1.127 565 A CA -0.150 52.039 52.037 0.254 0.000 0.795 565 A CB -0.720 18.336 19.000 0.093 0.000 1.061 565 A HN 1.312 nan 8.150 nan 0.000 0.502 566 A N 2.018 124.804 122.820 -0.055 0.000 2.386 566 A HA 0.543 4.864 4.320 0.002 0.000 0.248 566 A C 0.794 178.376 177.584 -0.005 0.000 1.082 566 A CA 0.451 52.451 52.037 -0.062 0.000 0.789 566 A CB 0.129 19.066 19.000 -0.104 0.000 1.025 566 A HN 1.072 nan 8.150 nan 0.000 0.490 567 E N 0.247 120.458 120.200 0.018 0.000 2.349 567 E HA 0.283 4.634 4.350 0.002 0.000 0.230 567 E C 0.784 177.395 176.600 0.019 0.000 1.073 567 E CA 0.120 56.533 56.400 0.023 0.000 1.635 567 E CB -0.350 29.375 29.700 0.042 0.000 3.361 567 E HN 0.839 nan 8.360 nan 0.000 1.066 568 A N 1.701 124.537 122.820 0.027 0.000 2.310 568 A HA 0.165 4.486 4.320 0.002 0.000 0.260 568 A C 1.042 178.633 177.584 0.012 0.000 1.112 568 A CA 0.059 52.109 52.037 0.021 0.000 0.804 568 A CB 0.270 19.287 19.000 0.029 0.000 1.081 568 A HN 0.225 nan 8.150 nan 0.000 0.499 569 E N -0.305 119.903 120.200 0.012 0.000 2.072 569 E HA -0.009 4.342 4.350 0.002 0.000 0.190 569 E C 0.303 176.910 176.600 0.011 0.000 0.982 569 E CA 1.536 57.942 56.400 0.010 0.000 0.803 569 E CB -0.372 29.335 29.700 0.012 0.000 0.755 569 E HN 0.703 nan 8.360 nan 0.000 0.453 570 T N 0.475 115.038 114.554 0.016 0.000 2.887 570 T HA 0.550 4.902 4.350 0.002 0.000 0.292 570 T C -0.831 173.883 174.700 0.022 0.000 1.087 570 T CA -0.722 61.390 62.100 0.020 0.000 1.009 570 T CB 1.929 70.813 68.868 0.028 0.000 1.203 570 T HN -0.042 nan 8.240 nan 0.000 0.518 571 L N 1.294 122.531 121.223 0.023 0.000 2.485 571 L HA 0.523 4.865 4.340 0.002 0.000 0.260 571 L C -0.862 176.034 176.870 0.043 0.000 0.998 571 L CA -0.603 54.256 54.840 0.033 0.000 0.883 571 L CB 0.157 42.227 42.059 0.017 0.000 1.196 571 L HN 0.840 nan 8.230 nan 0.000 0.443 572 C N 3.819 123.144 119.300 0.041 0.000 2.648 572 C HA 0.265 4.727 4.460 0.002 0.000 0.406 572 C C 0.768 175.786 174.990 0.046 0.000 1.406 572 C CA -0.382 58.660 59.018 0.041 0.000 1.610 572 C CB -0.413 27.347 27.740 0.032 0.000 2.451 572 C HN 0.588 nan 8.230 nan 0.000 0.608 573 V N 6.010 125.958 119.914 0.056 0.000 2.350 573 V HA 0.310 4.432 4.120 0.002 0.000 0.276 573 V C 0.283 176.394 176.094 0.029 0.000 1.028 573 V CA 0.287 62.635 62.300 0.079 0.000 0.860 573 V CB 1.625 33.538 31.823 0.149 0.000 0.990 573 V HN 0.979 nan 8.190 nan 0.000 0.453 574 S N 7.679 123.390 115.700 0.019 0.000 2.475 574 S HA 0.698 5.169 4.470 0.002 0.000 0.281 574 S C -0.528 174.059 174.600 -0.022 0.000 1.198 574 S CA -0.334 57.860 58.200 -0.009 0.000 1.063 574 S CB 0.536 63.729 63.200 -0.011 0.000 0.972 574 S HN 0.584 nan 8.310 nan 0.000 0.486 575 L N 5.094 126.293 121.223 -0.041 0.000 2.409 575 L HA 0.575 4.917 4.340 0.002 0.000 0.262 575 L C -2.162 174.679 176.870 -0.048 0.000 0.992 575 L CA -2.254 52.554 54.840 -0.053 0.000 0.817 575 L CB 2.492 44.518 42.059 -0.054 0.000 1.350 575 L HN 0.408 nan 8.230 nan 0.000 0.411 576 P HA 0.269 nan 4.420 nan 0.000 0.293 576 P C -2.776 174.512 177.300 -0.021 0.000 1.298 576 P CA -1.628 61.456 63.100 -0.028 0.000 0.757 576 P CB -0.370 31.314 31.700 -0.026 0.000 1.262 577 P HA 0.097 nan 4.420 nan 0.000 0.271 577 P C -0.656 176.691 177.300 0.078 0.000 1.216 577 P CA 0.431 63.512 63.100 -0.031 0.000 0.771 577 P CB -0.438 31.272 31.700 0.016 0.000 0.864 578 Y N -0.392 119.943 120.300 0.058 0.000 3.617 578 Y HA -0.219 4.332 4.550 0.002 0.000 0.215 578 Y C 1.351 177.343 175.900 0.153 0.000 1.178 578 Y CA 1.231 59.387 58.100 0.095 0.000 1.517 578 Y CB -2.148 36.352 38.460 0.066 0.000 1.457 578 Y HN 0.448 nan 8.280 nan 0.000 0.615 579 G N -0.510 108.405 108.800 0.191 0.000 2.502 579 G HA2 0.650 4.611 3.960 0.002 0.000 0.305 579 G HA3 0.650 4.611 3.960 0.002 0.000 0.305 579 G C -0.611 174.432 174.900 0.238 0.000 1.190 579 G CA -0.140 45.043 45.100 0.138 0.000 0.933 579 G HN 0.405 nan 8.290 nan 0.000 0.503 580 F N -2.206 117.776 119.950 0.053 0.000 2.789 580 F HA 0.816 5.344 4.527 0.002 0.000 0.319 580 F C -1.160 174.632 175.800 -0.013 0.000 1.168 580 F CA -1.516 56.511 58.000 0.044 0.000 0.934 580 F CB 1.897 40.948 39.000 0.084 0.000 1.375 580 F HN 0.763 nan 8.300 nan 0.000 0.480 581 V N 1.545 121.540 119.914 0.134 0.000 2.971 581 V HA 0.552 4.674 4.120 0.002 0.000 0.281 581 V C -2.239 173.791 176.094 -0.107 0.000 1.470 581 V CA -0.628 61.611 62.300 -0.102 0.000 0.966 581 V CB 1.994 33.648 31.823 -0.282 0.000 1.156 581 V HN 0.876 nan 8.190 nan 0.000 0.441 582 L N 7.145 128.260 121.223 -0.180 0.000 2.296 582 L HA 0.673 5.014 4.340 0.002 0.000 0.286 582 L C -1.142 175.552 176.870 -0.293 0.000 1.023 582 L CA -0.117 54.621 54.840 -0.170 0.000 0.812 582 L CB 1.569 43.571 42.059 -0.095 0.000 1.223 582 L HN 0.623 nan 8.230 nan 0.000 0.421 583 Y N 1.785 122.044 120.300 -0.069 0.000 2.376 583 Y HA 0.707 5.259 4.550 0.002 0.000 0.340 583 Y C 0.144 175.962 175.900 -0.137 0.000 0.965 583 Y CA -1.158 56.892 58.100 -0.084 0.000 1.078 583 Y CB 2.122 40.551 38.460 -0.052 0.000 1.193 583 Y HN 0.580 nan 8.280 nan 0.000 0.452 584 A N 4.059 126.898 122.820 0.032 0.000 2.256 584 A HA 0.683 5.004 4.320 0.002 0.000 0.317 584 A C -0.705 176.884 177.584 0.008 0.000 1.318 584 A CA -0.584 51.415 52.037 -0.063 0.000 0.894 584 A CB -0.122 18.777 19.000 -0.168 0.000 1.165 584 A HN 0.540 nan 8.150 nan 0.000 0.525 585 V N 2.326 122.244 119.914 0.007 0.000 2.953 585 V HA 0.297 4.418 4.120 0.002 0.000 0.304 585 V C 0.671 176.797 176.094 0.053 0.000 1.073 585 V CA -0.218 62.087 62.300 0.009 0.000 1.064 585 V CB 1.143 32.963 31.823 -0.004 0.000 1.047 585 V HN 1.001 nan 8.190 nan 0.000 0.478 586 E N 0.849 121.087 120.200 0.064 0.000 3.032 586 E HA 0.728 5.080 4.350 0.002 0.000 0.229 586 E C -0.763 175.888 176.600 0.086 0.000 0.857 586 E CA -0.160 56.300 56.400 0.099 0.000 1.257 586 E CB 1.445 31.232 29.700 0.144 0.000 1.676 586 E HN 0.842 nan 8.360 nan 0.000 0.480 587 S N -0.689 115.079 115.700 0.114 0.000 2.277 587 S HA 0.484 4.955 4.470 0.002 0.000 0.230 587 S C -1.355 173.389 174.600 0.240 0.000 0.893 587 S CA -1.000 57.279 58.200 0.132 0.000 1.044 587 S CB -0.332 62.926 63.200 0.097 0.000 1.252 587 S HN 0.657 nan 8.310 nan 0.000 0.393 588 W N 0.000 121.255 121.300 -0.075 0.000 2.388 588 W HA 0.000 4.661 4.660 0.002 0.000 0.303 588 W CA 0.000 57.294 57.345 -0.085 0.000 1.226 588 W CB 0.000 29.403 29.460 -0.095 0.000 1.126 588 W HN 0.000 nan 8.180 nan 0.000 0.535