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 2yr6_1_B DATA FIRST_RESID 16 DATA SEQUENCE KIATTVGEAR LSGINYRHPD SALVSYPVAA AAPLGRLPAG NYRIAIVGGG DATA SEQUENCE AGGIAALYEL GRLAATLPAG SGIDVQIYEA DPDSFLHDRX XXXAIKVRGL DATA SEQUENCE KAGRVSAALV HNGDPASGDT IYEVGAMRFP EIAGLTWHYA SAAFGDAAPI DATA SEQUENCE KVFPNPGKVP TEFVFGNRVD RYVGSDPKDW EDPDSPTLKV LGVVAGGLVG DATA SEQUENCE NPQGENVAMY PIANVDPAKI AAILNAATPP ADALERIQTK YWPEFIAQYD DATA SEQUENCE GLTLGAAVRE IVTVAFEKGT LPPVDGVLDV DESISYYVEL FGRFGFGTGG DATA SEQUENCE FKPLYNISLV EMMRLILWDY SNEYTLPVTE NVEFIRNLFL KAQNVGAGKL DATA SEQUENCE VVQVRQERVA NACHSGTASA RAQLLSYDSH NAVHSEAYDF VILAVPHDQL DATA SEQUENCE TPIVSRSGFE HAASQNLGDA GLGLETHTYN QVYPPLLLSD SSPAANARIV DATA SEQUENCE TAIGQLHMAR SSKVFATVKT AALDQPWVPQ WRGEPIKAVV SDSGLAASYV DATA SEQUENCE VPSPIVXXXX APEYSSLLAS YTWEDDSTRL RHDFGLYPQN PATETGTADG DATA SEQUENCE MYRTMVNRAY RYVKYAGASN AQPWWFYQLL AEARTADRFV FDWTTNKTAG DATA SEQUENCE GFKLDMTGDH HQSNLCFRYH THALAASLDN RFFIASDSYS HLGGWLEGAF DATA SEQUENCE MSALNAVAGL IVRANRGDVS ALSTEARPLV IGLRPVVKVP AA 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 16 K HA 0.000 nan 4.320 nan 0.000 0.191 16 K C 0.000 176.611 176.600 0.018 0.000 0.988 16 K CA 0.000 56.288 56.287 0.002 0.000 0.838 16 K CB 0.000 32.505 32.500 0.008 0.000 1.064 17 I N 3.201 123.792 120.570 0.035 0.000 2.496 17 I HA 0.112 4.282 4.170 0.000 0.000 0.285 17 I C 0.501 176.637 176.117 0.032 0.000 1.080 17 I CA -0.368 60.987 61.300 0.091 0.000 1.404 17 I CB 1.122 39.179 38.000 0.095 0.000 1.403 17 I HN 0.153 nan 8.210 nan 0.000 0.539 18 A N 4.194 127.002 122.820 -0.020 0.000 2.440 18 A HA 0.356 4.676 4.320 0.000 0.000 0.251 18 A C 0.903 178.353 177.584 -0.224 0.000 1.089 18 A CA -0.013 51.850 52.037 -0.290 0.000 0.779 18 A CB 0.125 18.706 19.000 -0.699 0.000 1.022 18 A HN 0.871 nan 8.150 nan 0.000 0.492 19 T N -1.531 112.909 114.554 -0.190 0.000 3.003 19 T HA 0.324 4.674 4.350 0.000 0.000 0.261 19 T C 0.536 175.146 174.700 -0.151 0.000 1.003 19 T CA 0.726 62.757 62.100 -0.116 0.000 0.917 19 T CB -0.425 68.405 68.868 -0.064 0.000 1.084 19 T HN 1.172 nan 8.240 nan 0.000 0.522 20 T N -1.761 112.655 114.554 -0.230 0.000 2.883 20 T HA 0.595 4.945 4.350 0.000 0.000 0.296 20 T C 1.076 175.583 174.700 -0.321 0.000 1.117 20 T CA -0.378 61.599 62.100 -0.205 0.000 1.006 20 T CB 1.608 70.397 68.868 -0.133 0.000 1.191 20 T HN -0.208 nan 8.240 nan 0.000 0.508 21 V N 1.505 121.295 119.914 -0.208 0.000 2.324 21 V HA -0.047 4.073 4.120 0.000 0.000 0.250 21 V C 2.826 178.804 176.094 -0.193 0.000 1.060 21 V CA 2.678 64.873 62.300 -0.175 0.000 1.042 21 V CB -1.337 30.534 31.823 0.081 0.000 0.650 21 V HN 1.101 nan 8.190 nan 0.000 0.450 22 G N -0.851 107.870 108.800 -0.131 0.000 2.408 22 G HA2 -0.190 3.770 3.960 0.000 0.000 0.217 22 G HA3 -0.190 3.770 3.960 0.000 0.000 0.217 22 G C 1.455 176.260 174.900 -0.158 0.000 1.150 22 G CA 0.694 45.734 45.100 -0.101 0.000 0.776 22 G HN 0.577 nan 8.290 nan 0.000 0.542 23 E N 0.519 120.585 120.200 -0.222 0.000 2.106 23 E HA 0.014 4.364 4.350 0.000 0.000 0.192 23 E C 2.898 179.284 176.600 -0.356 0.000 0.984 23 E CA 0.672 56.925 56.400 -0.245 0.000 0.806 23 E CB -0.123 29.433 29.700 -0.240 0.000 0.750 23 E HN 0.409 nan 8.360 nan 0.000 0.458 24 A N 1.671 124.127 122.820 -0.607 0.000 1.873 24 A HA -0.194 4.126 4.320 0.000 0.000 0.215 24 A C 2.116 179.403 177.584 -0.495 0.000 1.186 24 A CA 1.435 52.943 52.037 -0.883 0.000 0.616 24 A CB -0.444 17.397 19.000 -1.931 0.000 0.823 24 A HN 0.076 nan 8.150 nan 0.000 0.442 25 R N -0.311 120.028 120.500 -0.267 0.000 2.083 25 R HA -0.110 4.230 4.340 0.000 0.000 0.237 25 R C 1.920 178.236 176.300 0.027 0.000 1.137 25 R CA 1.853 57.981 56.100 0.047 0.000 0.951 25 R CB -0.430 29.925 30.300 0.091 0.000 0.851 25 R HN 0.516 nan 8.270 nan 0.000 0.434 26 L N 0.121 121.322 121.223 -0.037 0.000 2.217 26 L HA -0.092 4.248 4.340 0.000 0.000 0.211 26 L C 2.603 179.465 176.870 -0.014 0.000 1.107 26 L CA 0.943 55.775 54.840 -0.014 0.000 0.783 26 L CB -0.307 41.734 42.059 -0.030 0.000 0.919 26 L HN 0.285 nan 8.230 nan 0.000 0.442 27 S N -0.006 115.659 115.700 -0.058 0.000 2.382 27 S HA -0.103 4.367 4.470 0.000 0.000 0.228 27 S C 1.722 176.335 174.600 0.022 0.000 1.027 27 S CA 1.448 59.621 58.200 -0.045 0.000 0.991 27 S CB -0.134 63.000 63.200 -0.111 0.000 0.823 27 S HN 0.515 nan 8.310 nan 0.000 0.469 28 G N 0.126 108.967 108.800 0.069 0.000 3.277 28 G HA2 0.225 4.185 3.960 0.000 0.000 0.243 28 G HA3 0.225 4.185 3.960 0.000 0.000 0.243 28 G C 1.070 176.091 174.900 0.201 0.000 1.107 28 G CA -0.144 45.053 45.100 0.162 0.000 0.771 28 G HN 0.521 nan 8.290 nan 0.000 0.544 29 I N 0.464 121.119 120.570 0.142 0.000 2.335 29 I HA -0.168 4.002 4.170 0.000 0.000 0.251 29 I C 1.702 177.896 176.117 0.128 0.000 1.129 29 I CA 1.004 62.382 61.300 0.129 0.000 1.402 29 I CB 0.246 38.297 38.000 0.085 0.000 1.069 29 I HN 0.069 nan 8.210 nan 0.000 0.424 30 N N -0.399 118.377 118.700 0.127 0.000 2.373 30 N HA -0.089 4.651 4.740 0.000 0.000 0.181 30 N C 0.120 175.697 175.510 0.111 0.000 1.082 30 N CA 0.107 53.217 53.050 0.099 0.000 0.885 30 N CB -0.055 38.472 38.487 0.065 0.000 0.977 30 N HN 0.331 nan 8.380 nan 0.000 0.462 31 Y N 2.431 122.769 120.300 0.065 0.000 2.544 31 Y HA 0.063 4.613 4.550 0.000 0.000 0.330 31 Y C -0.022 175.883 175.900 0.007 0.000 1.136 31 Y CA -0.123 57.990 58.100 0.022 0.000 1.417 31 Y CB 0.272 38.768 38.460 0.059 0.000 1.229 31 Y HN -0.167 nan 8.280 nan 0.000 0.532 32 R N 4.938 125.037 120.500 -0.667 0.000 2.494 32 R HA 0.323 4.663 4.340 0.000 0.000 0.305 32 R C -0.874 174.917 176.300 -0.847 0.000 0.959 32 R CA -0.782 55.063 56.100 -0.425 0.000 0.864 32 R CB 1.000 31.154 30.300 -0.244 0.000 1.159 32 R HN 0.688 nan 8.270 nan 0.000 0.446 33 H N 3.498 122.350 119.070 -0.363 0.000 2.615 33 H HA 0.059 4.615 4.556 0.000 0.000 0.363 33 H C -1.452 173.641 175.328 -0.393 0.000 1.148 33 H CA -1.659 54.179 56.048 -0.349 0.000 1.401 33 H CB 1.219 30.810 29.762 -0.284 0.000 1.461 33 H HN 0.442 nan 8.280 nan 0.000 0.588 34 P HA -0.083 nan 4.420 nan 0.000 0.223 34 P C 0.447 177.447 177.300 -0.500 0.000 1.151 34 P CA 1.056 63.667 63.100 -0.814 0.000 0.787 34 P CB 0.421 30.985 31.700 -1.894 0.000 0.788 35 D N -0.223 120.034 120.400 -0.238 0.000 2.340 35 D HA 0.031 4.671 4.640 0.000 0.000 0.220 35 D C 0.513 176.988 176.300 0.293 0.000 1.039 35 D CA 0.689 54.752 54.000 0.105 0.000 0.866 35 D CB 0.263 41.051 40.800 -0.020 0.000 0.913 35 D HN 0.283 nan 8.370 nan 0.000 0.523 36 S N -0.710 115.125 115.700 0.226 0.000 2.694 36 S HA 0.457 4.927 4.470 0.000 0.000 0.232 36 S C 0.938 175.645 174.600 0.179 0.000 1.017 36 S CA -0.575 57.827 58.200 0.337 0.000 1.139 36 S CB 0.839 64.412 63.200 0.621 0.000 1.247 36 S HN 0.070 nan 8.310 nan 0.000 0.452 37 A N 1.195 124.054 122.820 0.065 0.000 2.119 37 A HA 0.294 4.614 4.320 0.000 0.000 0.217 37 A C 1.728 179.312 177.584 0.000 0.000 1.153 37 A CA 0.672 52.690 52.037 -0.031 0.000 0.692 37 A CB -0.561 18.396 19.000 -0.071 0.000 0.799 37 A HN 0.653 nan 8.150 nan 0.000 0.458 38 L N -1.066 120.186 121.223 0.049 0.000 2.478 38 L HA 0.093 4.433 4.340 0.000 0.000 0.223 38 L C 0.447 177.335 176.870 0.030 0.000 1.140 38 L CA 0.272 55.132 54.840 0.034 0.000 0.842 38 L CB 0.160 42.242 42.059 0.040 0.000 0.953 38 L HN 0.239 nan 8.230 nan 0.000 0.452 39 V N -0.988 118.964 119.914 0.063 0.000 2.686 39 V HA 0.315 4.435 4.120 0.000 0.000 0.306 39 V C -0.415 175.755 176.094 0.126 0.000 1.065 39 V CA -0.619 61.714 62.300 0.055 0.000 0.894 39 V CB 2.260 34.077 31.823 -0.009 0.000 1.004 39 V HN 0.032 nan 8.190 nan 0.000 0.424 40 S N 5.783 121.533 115.700 0.082 0.000 2.422 40 S HA 0.290 4.760 4.470 0.000 0.000 0.283 40 S C 0.588 175.286 174.600 0.163 0.000 1.163 40 S CA -0.146 58.137 58.200 0.139 0.000 1.054 40 S CB 0.308 63.557 63.200 0.083 0.000 0.967 40 S HN 0.696 nan 8.310 nan 0.000 0.499 41 Y N 5.267 125.603 120.300 0.059 0.000 2.181 41 Y HA 0.052 4.602 4.550 0.000 0.000 0.288 41 Y C -0.713 175.140 175.900 -0.078 0.000 1.146 41 Y CA 1.089 59.202 58.100 0.021 0.000 1.164 41 Y CB -1.673 36.833 38.460 0.078 0.000 0.982 41 Y HN 0.581 nan 8.280 nan 0.000 0.515 42 P HA -0.143 nan 4.420 nan 0.000 0.218 42 P C 1.862 179.059 177.300 -0.172 0.000 1.149 42 P CA 1.452 64.458 63.100 -0.156 0.000 0.817 42 P CB 0.042 31.744 31.700 0.003 0.000 0.785 43 V N 0.166 120.044 119.914 -0.060 0.000 2.358 43 V HA -0.212 3.908 4.120 0.000 0.000 0.246 43 V C 2.468 178.508 176.094 -0.091 0.000 1.047 43 V CA 2.091 64.358 62.300 -0.056 0.000 1.035 43 V CB -1.701 30.111 31.823 -0.019 0.000 0.658 43 V HN 0.090 nan 8.190 nan 0.000 0.452 44 A N 0.148 122.899 122.820 -0.114 0.000 1.940 44 A HA -0.143 4.178 4.320 0.000 0.000 0.219 44 A C 2.252 179.750 177.584 -0.143 0.000 1.176 44 A CA 2.109 54.059 52.037 -0.145 0.000 0.631 44 A CB -0.629 18.232 19.000 -0.231 0.000 0.814 44 A HN 0.606 nan 8.150 nan 0.000 0.446 45 A N -0.878 121.821 122.820 -0.202 0.000 2.238 45 A HA 0.473 4.793 4.320 0.000 0.000 0.208 45 A C 2.169 179.662 177.584 -0.152 0.000 1.177 45 A CA 1.182 53.080 52.037 -0.231 0.000 0.804 45 A CB -0.621 18.076 19.000 -0.505 0.000 0.823 45 A HN 0.894 nan 8.150 nan 0.000 0.482 46 A N -0.171 122.582 122.820 -0.112 0.000 1.933 46 A HA 0.413 4.733 4.320 0.000 0.000 0.218 46 A C 1.421 179.037 177.584 0.052 0.000 1.175 46 A CA 1.455 53.498 52.037 0.010 0.000 0.628 46 A CB -0.437 18.562 19.000 -0.001 0.000 0.814 46 A HN 1.045 nan 8.150 nan 0.000 0.444 47 A N -1.157 121.671 122.820 0.013 0.000 2.346 47 A HA 0.692 5.012 4.320 0.000 0.000 0.313 47 A C -2.823 174.760 177.584 -0.001 0.000 1.140 47 A CA -2.039 50.004 52.037 0.010 0.000 0.826 47 A CB 0.230 19.224 19.000 -0.009 0.000 1.332 47 A HN 0.098 nan 8.150 nan 0.000 0.457 48 P HA 0.077 nan 4.420 nan 0.000 0.266 48 P C 0.522 177.791 177.300 -0.051 0.000 1.193 48 P CA 0.105 63.182 63.100 -0.037 0.000 0.770 48 P CB 0.337 32.004 31.700 -0.055 0.000 0.836 49 L N 0.444 121.628 121.223 -0.065 0.000 2.376 49 L HA 0.138 4.478 4.340 0.000 0.000 0.219 49 L C 1.358 178.171 176.870 -0.095 0.000 1.133 49 L CA 1.154 55.944 54.840 -0.084 0.000 0.816 49 L CB -0.594 41.406 42.059 -0.098 0.000 0.933 49 L HN 0.645 nan 8.230 nan 0.000 0.449 50 G N -1.339 107.404 108.800 -0.095 0.000 2.356 50 G HA2 0.313 4.273 3.960 0.000 0.000 0.281 50 G HA3 0.313 4.273 3.960 0.000 0.000 0.281 50 G C -1.574 173.271 174.900 -0.093 0.000 1.246 50 G CA -0.783 44.261 45.100 -0.094 0.000 0.889 50 G HN -0.228 nan 8.290 nan 0.000 0.486 51 R N -0.625 119.822 120.500 -0.089 0.000 2.807 51 R HA 0.730 5.070 4.340 0.000 0.000 0.276 51 R C -0.902 175.342 176.300 -0.093 0.000 0.979 51 R CA -0.721 55.332 56.100 -0.078 0.000 0.928 51 R CB 1.565 31.838 30.300 -0.046 0.000 1.191 51 R HN 0.472 nan 8.270 nan 0.000 0.471 52 L N 2.322 123.493 121.223 -0.087 0.000 2.334 52 L HA 0.525 4.865 4.340 0.000 0.000 0.273 52 L C -1.956 174.946 176.870 0.054 0.000 1.013 52 L CA -2.138 52.657 54.840 -0.075 0.000 0.816 52 L CB 1.670 43.584 42.059 -0.242 0.000 1.278 52 L HN 0.258 nan 8.230 nan 0.000 0.431 53 P HA 0.067 nan 4.420 nan 0.000 0.268 53 P C -0.576 176.859 177.300 0.226 0.000 1.208 53 P CA -0.327 62.870 63.100 0.161 0.000 0.777 53 P CB 0.460 32.264 31.700 0.175 0.000 0.875 54 A N 1.618 124.517 122.820 0.132 0.000 2.561 54 A HA 0.484 4.804 4.320 0.000 0.000 0.234 54 A C 0.805 178.433 177.584 0.074 0.000 1.055 54 A CA 1.201 53.304 52.037 0.110 0.000 0.756 54 A CB -0.893 18.139 19.000 0.053 0.000 0.986 54 A HN 0.790 nan 8.150 nan 0.000 0.505 55 G N 0.895 109.715 108.800 0.032 0.000 2.320 55 G HA2 0.332 4.292 3.960 0.000 0.000 0.297 55 G HA3 0.332 4.292 3.960 0.000 0.000 0.297 55 G C -1.490 173.310 174.900 -0.166 0.000 1.344 55 G CA -0.916 44.068 45.100 -0.194 0.000 0.851 55 G HN 0.721 nan 8.290 nan 0.000 0.567 56 N N 0.582 119.120 118.700 -0.271 0.000 2.626 56 N HA 0.360 5.100 4.740 0.000 0.000 0.242 56 N C -1.333 174.079 175.510 -0.164 0.000 1.005 56 N CA -0.168 52.812 53.050 -0.116 0.000 0.905 56 N CB 1.353 39.809 38.487 -0.053 0.000 1.128 56 N HN 0.377 nan 8.380 nan 0.000 0.512 57 Y N 0.750 121.096 120.300 0.077 0.000 2.304 57 Y HA 0.256 4.806 4.550 0.000 0.000 0.328 57 Y C 1.077 177.044 175.900 0.112 0.000 1.123 57 Y CA -0.409 57.759 58.100 0.114 0.000 1.218 57 Y CB 1.267 39.830 38.460 0.172 0.000 1.207 57 Y HN 0.132 nan 8.280 nan 0.000 0.495 58 R N 4.663 125.301 120.500 0.230 0.000 2.246 58 R HA 0.569 4.909 4.340 0.000 0.000 0.332 58 R C -1.544 174.979 176.300 0.373 0.000 0.974 58 R CA -0.269 55.982 56.100 0.253 0.000 0.837 58 R CB 0.267 30.656 30.300 0.147 0.000 1.145 58 R HN 0.750 nan 8.270 nan 0.000 0.467 59 I N 2.832 123.608 120.570 0.344 0.000 2.569 59 I HA 0.476 4.646 4.170 0.000 0.000 0.296 59 I C -0.296 175.833 176.117 0.019 0.000 1.028 59 I CA -0.974 60.464 61.300 0.229 0.000 1.082 59 I CB 2.170 40.298 38.000 0.214 0.000 1.264 59 I HN 0.594 nan 8.210 nan 0.000 0.429 60 A N 6.940 129.564 122.820 -0.326 0.000 2.337 60 A HA 0.841 5.161 4.320 0.000 0.000 0.329 60 A C -0.738 176.776 177.584 -0.117 0.000 1.146 60 A CA -0.500 51.270 52.037 -0.445 0.000 0.800 60 A CB 0.859 19.244 19.000 -1.024 0.000 1.220 60 A HN 0.660 nan 8.150 nan 0.000 0.472 61 I N 2.476 123.056 120.570 0.017 0.000 2.362 61 I HA 0.291 4.461 4.170 0.000 0.000 0.289 61 I C -0.771 175.417 176.117 0.119 0.000 0.994 61 I CA -0.760 60.582 61.300 0.071 0.000 1.158 61 I CB 1.927 39.981 38.000 0.090 0.000 1.315 61 I HN 0.286 nan 8.210 nan 0.000 0.451 62 V N 5.737 125.694 119.914 0.072 0.000 2.334 62 V HA 0.745 4.865 4.120 0.000 0.000 0.267 62 V C 0.496 176.645 176.094 0.092 0.000 1.040 62 V CA -0.350 61.989 62.300 0.065 0.000 0.866 62 V CB 0.458 32.257 31.823 -0.040 0.000 1.019 62 V HN 1.061 nan 8.190 nan 0.000 0.468 63 G N 3.527 112.391 108.800 0.107 0.000 3.226 63 G HA2 0.196 4.156 3.960 0.000 0.000 0.685 63 G HA3 0.196 4.156 3.960 0.000 0.000 0.685 63 G C 0.073 175.010 174.900 0.062 0.000 1.207 63 G CA -0.501 44.648 45.100 0.082 0.000 0.877 63 G HN 1.178 nan 8.290 nan 0.000 0.585 64 G N 0.681 109.495 108.800 0.023 0.000 3.959 64 G HA2 0.676 4.636 3.960 0.000 0.000 0.298 64 G HA3 0.676 4.636 3.960 0.000 0.000 0.298 64 G C 0.839 175.783 174.900 0.073 0.000 1.211 64 G CA 0.927 46.026 45.100 -0.002 0.000 1.001 64 G HN 1.265 nan 8.290 nan 0.000 0.561 65 G N -0.634 108.206 108.800 0.067 0.000 2.543 65 G HA2 0.485 4.445 3.960 0.000 0.000 0.267 65 G HA3 0.485 4.445 3.960 0.000 0.000 0.267 65 G C 1.379 176.294 174.900 0.025 0.000 1.406 65 G CA 0.297 45.429 45.100 0.053 0.000 1.048 65 G HN 0.344 nan 8.290 nan 0.000 0.548 66 A N -0.818 121.970 122.820 -0.053 0.000 1.908 66 A HA 0.027 4.347 4.320 0.000 0.000 0.218 66 A C 2.563 180.171 177.584 0.041 0.000 1.181 66 A CA 2.596 54.582 52.037 -0.086 0.000 0.627 66 A CB -1.245 17.519 19.000 -0.393 0.000 0.818 66 A HN 1.051 nan 8.150 nan 0.000 0.445 67 G N -0.773 108.037 108.800 0.017 0.000 2.433 67 G HA2 0.021 3.981 3.960 0.000 0.000 0.216 67 G HA3 0.021 3.981 3.960 0.000 0.000 0.216 67 G C 1.561 176.527 174.900 0.111 0.000 1.186 67 G CA 1.280 46.436 45.100 0.094 0.000 0.779 67 G HN 0.743 nan 8.290 nan 0.000 0.543 68 G N 0.792 109.649 108.800 0.094 0.000 2.422 68 G HA2 -0.123 3.837 3.960 0.000 0.000 0.218 68 G HA3 -0.123 3.837 3.960 0.000 0.000 0.218 68 G C 1.631 176.593 174.900 0.104 0.000 1.146 68 G CA 0.868 46.029 45.100 0.101 0.000 0.769 68 G HN 0.318 nan 8.290 nan 0.000 0.547 69 I N 1.710 122.340 120.570 0.100 0.000 2.353 69 I HA 0.009 4.179 4.170 0.000 0.000 0.248 69 I C 3.169 179.296 176.117 0.016 0.000 1.119 69 I CA 0.883 62.247 61.300 0.108 0.000 1.417 69 I CB -1.269 36.805 38.000 0.123 0.000 1.078 69 I HN 0.242 nan 8.210 nan 0.000 0.421 70 A N 1.112 123.900 122.820 -0.053 0.000 1.902 70 A HA -0.100 4.220 4.320 0.000 0.000 0.217 70 A C 2.587 180.163 177.584 -0.013 0.000 1.181 70 A CA 1.900 53.795 52.037 -0.236 0.000 0.623 70 A CB -0.740 18.112 19.000 -0.247 0.000 0.818 70 A HN 0.386 nan 8.150 nan 0.000 0.443 71 A N -0.507 122.348 122.820 0.059 0.000 1.902 71 A HA -0.061 4.259 4.320 0.000 0.000 0.217 71 A C 2.142 179.761 177.584 0.058 0.000 1.181 71 A CA 1.738 53.816 52.037 0.069 0.000 0.623 71 A CB -0.626 18.421 19.000 0.078 0.000 0.818 71 A HN 0.671 nan 8.150 nan 0.000 0.443 72 L N -1.684 119.585 121.223 0.077 0.000 2.046 72 L HA -0.161 4.179 4.340 0.000 0.000 0.208 72 L C 2.327 179.227 176.870 0.049 0.000 1.077 72 L CA 2.402 57.285 54.840 0.072 0.000 0.747 72 L CB -0.775 41.361 42.059 0.128 0.000 0.896 72 L HN 0.532 nan 8.230 nan 0.000 0.432 73 Y N 0.310 120.576 120.300 -0.057 0.000 2.128 73 Y HA -0.243 4.307 4.550 0.000 0.000 0.284 73 Y C 2.425 178.309 175.900 -0.027 0.000 1.154 73 Y CA 2.083 60.143 58.100 -0.068 0.000 1.149 73 Y CB -0.061 38.317 38.460 -0.137 0.000 0.976 73 Y HN 0.267 nan 8.280 nan 0.000 0.505 74 E N 0.379 120.625 120.200 0.077 0.000 2.150 74 E HA -0.170 4.180 4.350 0.000 0.000 0.193 74 E C 2.320 178.863 176.600 -0.096 0.000 0.985 74 E CA 1.212 57.614 56.400 0.003 0.000 0.814 74 E CB -0.453 29.300 29.700 0.088 0.000 0.752 74 E HN 0.565 nan 8.360 nan 0.000 0.466 75 L N 0.174 121.348 121.223 -0.081 0.000 2.093 75 L HA -0.089 4.251 4.340 0.000 0.000 0.208 75 L C 2.489 179.284 176.870 -0.125 0.000 1.085 75 L CA 1.197 55.976 54.840 -0.101 0.000 0.755 75 L CB -0.748 41.275 42.059 -0.061 0.000 0.904 75 L HN 0.181 nan 8.230 nan 0.000 0.435 76 G N -0.004 108.701 108.800 -0.158 0.000 2.446 76 G HA2 -0.249 3.711 3.960 0.000 0.000 0.217 76 G HA3 -0.249 3.711 3.960 0.000 0.000 0.217 76 G C 1.720 176.491 174.900 -0.216 0.000 1.168 76 G CA 0.497 45.482 45.100 -0.192 0.000 0.771 76 G HN 0.291 nan 8.290 nan 0.000 0.551 77 R N -0.155 120.171 120.500 -0.290 0.000 2.081 77 R HA 0.051 4.391 4.340 0.000 0.000 0.235 77 R C 2.634 178.847 176.300 -0.145 0.000 1.131 77 R CA 0.967 56.929 56.100 -0.229 0.000 0.960 77 R CB -0.518 29.643 30.300 -0.232 0.000 0.856 77 R HN 0.340 nan 8.270 nan 0.000 0.436 78 L N 0.202 121.342 121.223 -0.139 0.000 2.056 78 L HA -0.123 4.217 4.340 0.000 0.000 0.207 78 L C 2.748 179.556 176.870 -0.104 0.000 1.078 78 L CA 1.183 55.948 54.840 -0.125 0.000 0.749 78 L CB -0.683 41.282 42.059 -0.158 0.000 0.901 78 L HN 0.235 nan 8.230 nan 0.000 0.433 79 A N 0.262 123.024 122.820 -0.097 0.000 1.940 79 A HA -0.195 4.125 4.320 0.000 0.000 0.219 79 A C 2.493 180.050 177.584 -0.045 0.000 1.176 79 A CA 1.754 53.757 52.037 -0.057 0.000 0.631 79 A CB -0.676 18.296 19.000 -0.047 0.000 0.814 79 A HN 0.415 nan 8.150 nan 0.000 0.446 80 A N -0.408 122.373 122.820 -0.065 0.000 2.070 80 A HA -0.050 4.270 4.320 0.000 0.000 0.220 80 A C 2.237 179.798 177.584 -0.038 0.000 1.159 80 A CA 2.172 54.177 52.037 -0.053 0.000 0.656 80 A CB -1.106 17.852 19.000 -0.069 0.000 0.800 80 A HN 0.820 nan 8.150 nan 0.000 0.453 81 T N -2.459 112.070 114.554 -0.041 0.000 3.100 81 T HA 0.355 4.705 4.350 0.000 0.000 0.253 81 T C 0.547 175.238 174.700 -0.014 0.000 1.118 81 T CA -0.180 61.901 62.100 -0.031 0.000 1.058 81 T CB -0.515 68.328 68.868 -0.041 0.000 0.953 81 T HN 0.223 nan 8.240 nan 0.000 0.515 82 L N 2.808 124.029 121.223 -0.004 0.000 2.436 82 L HA 0.401 4.741 4.340 0.000 0.000 0.265 82 L C -1.754 175.129 176.870 0.021 0.000 1.168 82 L CA -2.331 52.523 54.840 0.024 0.000 0.815 82 L CB 0.488 42.579 42.059 0.054 0.000 1.109 82 L HN 0.092 nan 8.230 nan 0.000 0.462 83 P HA 0.155 nan 4.420 nan 0.000 0.277 83 P C -1.009 176.303 177.300 0.020 0.000 1.271 83 P CA -0.633 62.479 63.100 0.020 0.000 0.795 83 P CB 0.658 32.371 31.700 0.021 0.000 1.101 84 A N -0.039 122.789 122.820 0.013 0.000 2.567 84 A HA 0.384 4.704 4.320 0.000 0.000 0.240 84 A C 1.446 179.038 177.584 0.013 0.000 1.053 84 A CA 0.980 53.024 52.037 0.011 0.000 0.755 84 A CB -1.671 17.333 19.000 0.007 0.000 0.978 84 A HN 0.905 nan 8.150 nan 0.000 0.507 85 G N 1.657 110.466 108.800 0.014 0.000 2.234 85 G HA2 -0.201 3.759 3.960 0.000 0.000 0.235 85 G HA3 -0.201 3.759 3.960 0.000 0.000 0.235 85 G C 0.592 175.504 174.900 0.018 0.000 0.997 85 G CA 0.447 45.554 45.100 0.012 0.000 0.623 85 G HN 1.182 nan 8.290 nan 0.000 0.514 86 S N -0.114 115.605 115.700 0.033 0.000 2.713 86 S HA 0.867 5.337 4.470 0.000 0.000 0.283 86 S C 0.495 175.139 174.600 0.073 0.000 1.161 86 S CA 0.433 58.668 58.200 0.057 0.000 0.999 86 S CB 1.774 65.024 63.200 0.083 0.000 1.039 86 S HN 1.850 nan 8.310 nan 0.000 0.548 87 G N -0.067 108.806 108.800 0.122 0.000 2.356 87 G HA2 0.465 4.425 3.960 0.000 0.000 0.294 87 G HA3 0.465 4.425 3.960 0.000 0.000 0.294 87 G C -2.084 172.933 174.900 0.194 0.000 1.423 87 G CA -0.810 44.360 45.100 0.117 0.000 0.806 87 G HN 0.600 nan 8.290 nan 0.000 0.527 88 I N 1.230 121.883 120.570 0.140 0.000 2.436 88 I HA 0.338 4.508 4.170 0.000 0.000 0.289 88 I C -1.178 175.009 176.117 0.117 0.000 1.010 88 I CA -0.707 60.690 61.300 0.161 0.000 1.098 88 I CB 2.156 40.212 38.000 0.093 0.000 1.266 88 I HN 0.432 nan 8.210 nan 0.000 0.434 89 D N 6.774 127.259 120.400 0.141 0.000 2.303 89 D HA 0.390 5.030 4.640 0.000 0.000 0.236 89 D C -1.281 175.106 176.300 0.146 0.000 1.068 89 D CA -0.265 53.806 54.000 0.118 0.000 0.830 89 D CB 2.257 43.124 40.800 0.111 0.000 1.109 89 D HN 0.142 nan 8.370 nan 0.000 0.496 90 V N 4.336 124.319 119.914 0.114 0.000 2.448 90 V HA 0.219 4.340 4.120 0.000 0.000 0.295 90 V C -0.071 176.085 176.094 0.103 0.000 1.025 90 V CA -0.817 61.550 62.300 0.113 0.000 0.859 90 V CB 1.732 33.607 31.823 0.087 0.000 0.988 90 V HN 0.509 nan 8.190 nan 0.000 0.431 91 Q N 4.798 124.663 119.800 0.109 0.000 2.331 91 Q HA 0.537 4.877 4.340 0.000 0.000 0.257 91 Q C -0.733 175.277 176.000 0.018 0.000 0.957 91 Q CA -0.132 55.694 55.803 0.038 0.000 0.923 91 Q CB 2.271 31.065 28.738 0.093 0.000 1.212 91 Q HN 0.630 nan 8.270 nan 0.000 0.443 92 I N 3.435 124.000 120.570 -0.009 0.000 2.312 92 I HA 0.227 4.397 4.170 0.000 0.000 0.290 92 I C -0.566 175.548 176.117 -0.005 0.000 1.008 92 I CA -0.759 60.569 61.300 0.048 0.000 1.226 92 I CB 0.579 38.602 38.000 0.039 0.000 1.371 92 I HN 0.430 nan 8.210 nan 0.000 0.468 93 Y N 4.778 125.074 120.300 -0.006 0.000 2.327 93 Y HA 0.396 4.946 4.550 0.000 0.000 0.336 93 Y C 0.296 176.206 175.900 0.016 0.000 1.035 93 Y CA -0.379 57.730 58.100 0.014 0.000 1.165 93 Y CB 1.070 39.541 38.460 0.017 0.000 1.181 93 Y HN 0.452 nan 8.280 nan 0.000 0.494 94 E N 2.148 122.451 120.200 0.172 0.000 2.343 94 E HA 0.512 4.862 4.350 0.000 0.000 0.260 94 E C -0.528 176.213 176.600 0.234 0.000 0.908 94 E CA -0.346 56.129 56.400 0.125 0.000 0.814 94 E CB 1.147 30.800 29.700 -0.079 0.000 1.302 94 E HN 0.627 nan 8.360 nan 0.000 0.408 95 A N 3.742 126.667 122.820 0.175 0.000 2.067 95 A HA 0.029 4.349 4.320 0.000 0.000 0.217 95 A C 0.850 178.519 177.584 0.142 0.000 1.156 95 A CA 0.536 52.664 52.037 0.151 0.000 0.683 95 A CB -0.164 18.915 19.000 0.131 0.000 0.808 95 A HN 0.532 nan 8.150 nan 0.000 0.455 96 D N 0.527 121.017 120.400 0.151 0.000 2.346 96 D HA 0.131 4.771 4.640 0.000 0.000 0.260 96 D C -1.339 175.066 176.300 0.176 0.000 1.252 96 D CA -2.066 52.014 54.000 0.132 0.000 0.895 96 D CB 1.131 41.997 40.800 0.109 0.000 1.097 96 D HN 0.125 nan 8.370 nan 0.000 0.489 97 P HA -0.096 nan 4.420 nan 0.000 0.222 97 P C 0.196 177.574 177.300 0.131 0.000 1.147 97 P CA 0.749 63.911 63.100 0.104 0.000 0.790 97 P CB 0.493 32.214 31.700 0.036 0.000 0.780 98 D N -0.524 119.940 120.400 0.106 0.000 2.339 98 D HA 0.011 4.651 4.640 0.000 0.000 0.217 98 D C 0.854 177.194 176.300 0.066 0.000 1.050 98 D CA 0.299 54.346 54.000 0.079 0.000 0.856 98 D CB 0.052 40.888 40.800 0.061 0.000 0.922 98 D HN 0.139 nan 8.370 nan 0.000 0.518 99 S N 0.444 116.168 115.700 0.040 0.000 2.568 99 S HA -0.028 4.442 4.470 0.000 0.000 0.282 99 S C 1.409 175.918 174.600 -0.151 0.000 1.338 99 S CA -0.677 57.471 58.200 -0.086 0.000 1.045 99 S CB 0.319 63.313 63.200 -0.345 0.000 0.873 99 S HN 0.227 nan 8.310 nan 0.000 0.516 100 F N 3.844 123.710 119.950 -0.141 0.000 2.250 100 F HA -0.044 4.483 4.527 0.000 0.000 0.301 100 F C 1.358 177.018 175.800 -0.234 0.000 1.077 100 F CA 1.077 58.992 58.000 -0.141 0.000 1.348 100 F CB -0.539 38.390 39.000 -0.118 0.000 1.040 100 F HN 0.497 nan 8.300 nan 0.000 0.509 101 L N -0.064 120.337 121.223 -1.370 0.000 2.275 101 L HA -0.141 4.199 4.340 0.000 0.000 0.215 101 L C 1.509 177.977 176.870 -0.670 0.000 1.119 101 L CA 1.220 55.322 54.840 -1.231 0.000 0.790 101 L CB -0.847 40.390 42.059 -1.371 0.000 0.919 101 L HN 0.331 nan 8.230 nan 0.000 0.443 102 H N -2.539 116.367 119.070 -0.274 0.000 2.517 102 H HA 0.056 4.612 4.556 0.000 0.000 0.282 102 H C 0.210 175.493 175.328 -0.076 0.000 1.023 102 H CA -0.159 55.803 56.048 -0.142 0.000 1.169 102 H CB 0.367 30.066 29.762 -0.105 0.000 1.454 102 H HN 0.061 nan 8.280 nan 0.000 0.556 103 D N 0.812 121.217 120.400 0.009 0.000 2.788 103 D HA 0.101 4.741 4.640 0.000 0.000 0.289 103 D C 0.127 176.452 176.300 0.041 0.000 1.340 103 D CA -0.237 53.786 54.000 0.037 0.000 0.831 103 D CB 0.235 41.064 40.800 0.048 0.000 1.103 103 D HN 0.226 nan 8.370 nan 0.000 0.476 110 I N 1.664 122.096 120.570 -0.230 0.000 2.411 110 I HA 0.375 4.545 4.170 0.000 0.000 0.284 110 I C -0.028 176.065 176.117 -0.039 0.000 1.012 110 I CA -0.388 60.820 61.300 -0.153 0.000 1.119 110 I CB 1.814 39.782 38.000 -0.054 0.000 1.261 110 I HN 0.661 nan 8.210 nan 0.000 0.448 111 K N 5.571 125.974 120.400 0.005 0.000 2.183 111 K HA 0.451 4.771 4.320 0.000 0.000 0.274 111 K C 0.518 177.115 176.600 -0.005 0.000 1.009 111 K CA -0.417 55.899 56.287 0.048 0.000 0.888 111 K CB 1.656 34.216 32.500 0.100 0.000 1.078 111 K HN 0.546 nan 8.250 nan 0.000 0.459 112 V N 1.312 121.236 119.914 0.017 0.000 3.548 112 V HA 0.276 4.396 4.120 0.000 0.000 0.279 112 V C 0.631 176.738 176.094 0.022 0.000 1.446 112 V CA -0.289 62.017 62.300 0.009 0.000 1.023 112 V CB -0.110 31.731 31.823 0.029 0.000 0.820 112 V HN 0.744 nan 8.190 nan 0.000 0.438 113 R N 1.454 121.972 120.500 0.030 0.000 2.502 113 R HA 0.374 4.714 4.340 0.000 0.000 0.292 113 R C 1.356 177.678 176.300 0.038 0.000 0.998 113 R CA 1.323 57.445 56.100 0.037 0.000 1.056 113 R CB 0.050 30.370 30.300 0.034 0.000 0.939 113 R HN 0.959 nan 8.270 nan 0.000 0.411 114 G N 3.563 112.395 108.800 0.053 0.000 2.179 114 G HA2 -0.267 3.693 3.960 0.000 0.000 0.260 114 G HA3 -0.267 3.693 3.960 0.000 0.000 0.260 114 G C 0.385 175.340 174.900 0.093 0.000 0.977 114 G CA 0.360 45.502 45.100 0.070 0.000 0.641 114 G HN 0.594 nan 8.290 nan 0.000 0.533 115 L N -0.218 121.044 121.223 0.064 0.000 2.818 115 L HA 0.358 4.698 4.340 0.000 0.000 0.243 115 L C 0.816 177.722 176.870 0.060 0.000 1.185 115 L CA 0.010 54.878 54.840 0.047 0.000 0.988 115 L CB 0.274 42.335 42.059 0.004 0.000 1.292 115 L HN 0.091 nan 8.230 nan 0.000 0.519 116 K N 1.020 121.480 120.400 0.100 0.000 2.259 116 K HA 0.701 5.021 4.320 0.000 0.000 0.252 116 K C -0.370 176.352 176.600 0.203 0.000 0.936 116 K CA -0.430 55.926 56.287 0.114 0.000 0.810 116 K CB 2.666 35.222 32.500 0.093 0.000 1.143 116 K HN -0.079 nan 8.250 nan 0.000 0.427 117 A N 2.332 125.252 122.820 0.166 0.000 3.105 117 A HA 0.575 4.895 4.320 0.000 0.000 0.336 117 A C 0.585 178.235 177.584 0.110 0.000 1.042 117 A CA 0.079 52.239 52.037 0.204 0.000 0.851 117 A CB -0.201 18.860 19.000 0.101 0.000 1.068 117 A HN 0.938 nan 8.150 nan 0.000 0.477 118 G N 1.829 110.698 108.800 0.116 0.000 2.565 118 G HA2 -0.346 3.614 3.960 0.000 0.000 0.295 118 G HA3 -0.346 3.614 3.960 0.000 0.000 0.295 118 G C 0.889 175.869 174.900 0.133 0.000 1.165 118 G CA 0.644 45.808 45.100 0.107 0.000 0.977 118 G HN 0.734 nan 8.290 nan 0.000 0.546 119 R N -0.170 120.331 120.500 0.002 0.000 2.310 119 R HA 0.324 4.664 4.340 0.000 0.000 0.202 119 R C 0.341 176.579 176.300 -0.104 0.000 0.933 119 R CA 0.264 56.252 56.100 -0.187 0.000 1.054 119 R CB 0.270 30.318 30.300 -0.419 0.000 0.985 119 R HN 0.233 nan 8.270 nan 0.000 0.489 120 V N 1.133 121.044 119.914 -0.005 0.000 2.353 120 V HA 0.156 4.276 4.120 0.000 0.000 0.264 120 V C -0.106 176.038 176.094 0.084 0.000 1.049 120 V CA -0.148 62.176 62.300 0.040 0.000 0.896 120 V CB 1.189 33.024 31.823 0.020 0.000 1.025 120 V HN 0.003 nan 8.190 nan 0.000 0.475 121 S N 4.391 120.160 115.700 0.114 0.000 2.776 121 S HA 0.777 5.247 4.470 0.000 0.000 0.284 121 S C -0.410 174.221 174.600 0.052 0.000 1.160 121 S CA -0.098 58.167 58.200 0.109 0.000 1.051 121 S CB 1.153 64.479 63.200 0.209 0.000 1.037 121 S HN 1.005 nan 8.310 nan 0.000 0.485 122 A N 3.437 126.258 122.820 0.001 0.000 2.325 122 A HA 0.944 5.264 4.320 0.000 0.000 0.333 122 A C -0.063 177.447 177.584 -0.124 0.000 1.155 122 A CA -0.506 51.495 52.037 -0.061 0.000 0.814 122 A CB 1.300 20.273 19.000 -0.044 0.000 1.206 122 A HN 1.352 nan 8.150 nan 0.000 0.482 123 A N 1.390 124.064 122.820 -0.244 0.000 2.319 123 A HA 0.600 4.921 4.320 0.000 0.000 0.310 123 A C -0.917 176.411 177.584 -0.426 0.000 1.152 123 A CA -0.442 51.399 52.037 -0.327 0.000 0.783 123 A CB 0.678 19.360 19.000 -0.529 0.000 1.184 123 A HN 1.453 nan 8.150 nan 0.000 0.474 124 L N 4.169 125.225 121.223 -0.278 0.000 2.257 124 L HA 0.583 4.923 4.340 0.000 0.000 0.290 124 L C -0.704 176.020 176.870 -0.243 0.000 1.044 124 L CA -0.049 54.652 54.840 -0.232 0.000 0.810 124 L CB 1.250 43.250 42.059 -0.098 0.000 1.193 124 L HN 0.391 nan 8.230 nan 0.000 0.425 125 V N 6.392 126.075 119.914 -0.385 0.000 2.406 125 V HA 0.509 4.629 4.120 0.000 0.000 0.272 125 V C -0.247 175.724 176.094 -0.204 0.000 1.043 125 V CA -0.277 61.779 62.300 -0.407 0.000 0.915 125 V CB 0.470 31.938 31.823 -0.591 0.000 0.988 125 V HN 1.065 nan 8.190 nan 0.000 0.466 126 H N 2.144 121.078 119.070 -0.227 0.000 2.960 126 H HA 0.530 5.086 4.556 0.000 0.000 0.323 126 H C -0.386 174.859 175.328 -0.139 0.000 1.326 126 H CA -1.004 54.943 56.048 -0.169 0.000 1.124 126 H CB 1.185 30.872 29.762 -0.125 0.000 1.853 126 H HN 0.213 nan 8.280 nan 0.000 0.536 127 N N -0.395 118.306 118.700 0.001 0.000 2.238 127 N HA 0.230 4.970 4.740 0.000 0.000 0.222 127 N C 0.561 176.102 175.510 0.051 0.000 1.133 127 N CA 0.688 53.713 53.050 -0.041 0.000 0.854 127 N CB 1.594 40.059 38.487 -0.037 0.000 1.041 127 N HN 0.939 nan 8.380 nan 0.000 0.510 128 G N 0.714 109.682 108.800 0.279 0.000 2.901 128 G HA2 -0.193 3.767 3.960 0.000 0.000 0.194 128 G HA3 -0.193 3.767 3.960 0.000 0.000 0.194 128 G C -0.495 174.509 174.900 0.174 0.000 1.020 128 G CA -0.366 44.867 45.100 0.221 0.000 0.787 128 G HN 0.318 nan 8.290 nan 0.000 0.477 129 D N 1.423 121.892 120.400 0.115 0.000 2.460 129 D HA 0.584 5.224 4.640 0.000 0.000 0.232 129 D C -1.160 174.990 176.300 -0.250 0.000 1.079 129 D CA -2.173 51.786 54.000 -0.069 0.000 0.864 129 D CB 2.046 42.830 40.800 -0.027 0.000 1.048 129 D HN 0.065 nan 8.370 nan 0.000 0.523 130 P HA 0.000 nan 4.420 nan 0.000 0.230 130 P C 0.876 178.029 177.300 -0.245 0.000 1.158 130 P CA 0.471 63.209 63.100 -0.604 0.000 0.769 130 P CB 0.217 31.563 31.700 -0.591 0.000 0.807 131 A N -0.882 121.841 122.820 -0.161 0.000 2.206 131 A HA 0.080 4.400 4.320 0.000 0.000 0.211 131 A C 1.193 178.743 177.584 -0.057 0.000 1.158 131 A CA 0.779 52.764 52.037 -0.087 0.000 0.761 131 A CB -0.472 18.492 19.000 -0.061 0.000 0.801 131 A HN 0.119 nan 8.150 nan 0.000 0.473 132 S N 0.191 115.858 115.700 -0.055 0.000 2.204 132 S HA 0.475 4.945 4.470 0.000 0.000 0.178 132 S C 0.431 175.028 174.600 -0.006 0.000 1.493 132 S CA -0.284 57.904 58.200 -0.020 0.000 1.266 132 S CB 0.606 63.803 63.200 -0.006 0.000 1.232 132 S HN 0.616 nan 8.310 nan 0.000 0.406 133 G N 0.560 109.349 108.800 -0.018 0.000 2.580 133 G HA2 0.370 4.330 3.960 0.000 0.000 0.278 133 G HA3 0.370 4.330 3.960 0.000 0.000 0.278 133 G C -0.017 174.867 174.900 -0.025 0.000 1.212 133 G CA -0.348 44.744 45.100 -0.012 0.000 0.939 133 G HN 0.276 nan 8.290 nan 0.000 0.513 134 D N -1.614 118.729 120.400 -0.096 0.000 2.269 134 D HA 0.183 4.823 4.640 0.000 0.000 0.220 134 D C 1.083 177.342 176.300 -0.068 0.000 0.962 134 D CA 1.116 55.033 54.000 -0.138 0.000 0.884 134 D CB 0.515 41.000 40.800 -0.524 0.000 1.023 134 D HN 0.369 nan 8.370 nan 0.000 0.484 135 T N -0.845 113.616 114.554 -0.155 0.000 2.718 135 T HA 0.466 4.816 4.350 0.000 0.000 0.306 135 T C -1.974 172.580 174.700 -0.244 0.000 1.485 135 T CA -0.662 61.366 62.100 -0.121 0.000 0.997 135 T CB 1.054 69.897 68.868 -0.042 0.000 1.504 135 T HN -0.249 nan 8.240 nan 0.000 0.497 136 I N 2.694 123.150 120.570 -0.190 0.000 2.465 136 I HA 0.380 4.550 4.170 0.000 0.000 0.291 136 I C -0.837 175.147 176.117 -0.223 0.000 1.014 136 I CA -0.765 60.386 61.300 -0.249 0.000 1.093 136 I CB 1.404 39.334 38.000 -0.117 0.000 1.267 136 I HN 0.732 nan 8.210 nan 0.000 0.431 137 Y N 3.901 123.877 120.300 -0.541 0.000 2.341 137 Y HA 0.261 4.811 4.550 0.000 0.000 0.340 137 Y C 0.722 176.260 175.900 -0.603 0.000 0.997 137 Y CA -0.998 56.481 58.100 -1.036 0.000 1.149 137 Y CB 1.452 38.815 38.460 -1.828 0.000 1.171 137 Y HN 0.405 nan 8.280 nan 0.000 0.494 138 E N 3.744 123.868 120.200 -0.127 0.000 1.941 138 E HA 0.077 4.427 4.350 0.000 0.000 0.275 138 E C 0.482 177.193 176.600 0.185 0.000 1.113 138 E CA -0.020 56.416 56.400 0.059 0.000 0.878 138 E CB 1.499 31.282 29.700 0.138 0.000 1.070 138 E HN 0.603 nan 8.360 nan 0.000 0.399 139 V N 2.258 122.273 119.914 0.167 0.000 2.719 139 V HA -0.030 4.090 4.120 0.000 0.000 0.252 139 V C 1.310 177.724 176.094 0.534 0.000 1.065 139 V CA 1.822 64.352 62.300 0.383 0.000 1.086 139 V CB -0.054 31.897 31.823 0.212 0.000 0.700 139 V HN 0.604 nan 8.190 nan 0.000 0.467 140 G N -1.005 107.994 108.800 0.332 0.000 3.414 140 G HA2 0.556 4.516 3.960 0.000 0.000 0.196 140 G HA3 0.556 4.516 3.960 0.000 0.000 0.196 140 G C 0.201 175.088 174.900 -0.023 0.000 1.486 140 G CA 0.102 45.254 45.100 0.086 0.000 0.811 140 G HN 0.450 nan 8.290 nan 0.000 0.704 141 A N 0.172 122.962 122.820 -0.050 0.000 2.565 141 A HA 0.447 4.767 4.320 0.000 0.000 0.237 141 A C 0.837 178.420 177.584 -0.001 0.000 1.053 141 A CA 1.400 53.415 52.037 -0.036 0.000 0.755 141 A CB -0.287 18.792 19.000 0.131 0.000 0.980 141 A HN 1.161 nan 8.150 nan 0.000 0.506 142 M N 1.378 120.804 119.600 -0.289 0.000 2.054 142 M HA 0.259 4.739 4.480 0.000 0.000 0.386 142 M C 0.113 175.954 176.300 -0.764 0.000 0.824 142 M CA -0.184 54.933 55.300 -0.304 0.000 1.140 142 M CB 0.534 33.020 32.600 -0.190 0.000 2.218 142 M HN 0.706 nan 8.290 nan 0.000 0.752 143 R N 0.793 120.523 120.500 -1.283 0.000 2.564 143 R HA 0.671 5.011 4.340 0.000 0.000 0.284 143 R C -2.164 173.558 176.300 -0.963 0.000 1.031 143 R CA -0.438 55.036 56.100 -1.042 0.000 0.904 143 R CB 1.135 30.810 30.300 -1.042 0.000 1.199 143 R HN 0.106 nan 8.270 nan 0.000 0.443 144 F N 2.207 122.279 119.950 0.204 0.000 2.499 144 F HA 0.432 4.959 4.527 0.000 0.000 0.333 144 F C -2.185 173.771 175.800 0.260 0.000 1.138 144 F CA -2.722 55.407 58.000 0.215 0.000 0.945 144 F CB 2.297 41.331 39.000 0.057 0.000 1.181 144 F HN 0.294 nan 8.300 nan 0.000 0.435 145 P HA -0.011 nan 4.420 nan 0.000 0.267 145 P C 0.797 178.218 177.300 0.202 0.000 1.200 145 P CA 0.153 63.130 63.100 -0.206 0.000 0.772 145 P CB 0.870 31.919 31.700 -1.085 0.000 0.855 146 E N 2.650 122.952 120.200 0.171 0.000 2.118 146 E HA -0.183 4.167 4.350 0.000 0.000 0.195 146 E C 1.225 177.875 176.600 0.084 0.000 0.992 146 E CA 1.061 57.557 56.400 0.160 0.000 0.804 146 E CB -0.204 29.558 29.700 0.104 0.000 0.741 146 E HN 0.536 nan 8.360 nan 0.000 0.458 147 I N -2.082 118.426 120.570 -0.103 0.000 3.812 147 I HA 0.314 4.484 4.170 0.000 0.000 0.319 147 I C 0.423 176.647 176.117 0.178 0.000 1.353 147 I CA -0.282 60.992 61.300 -0.043 0.000 1.170 147 I CB 0.494 38.411 38.000 -0.137 0.000 1.057 147 I HN -0.120 nan 8.210 nan 0.000 0.411 148 A N 1.605 124.575 122.820 0.250 0.000 2.981 148 A HA 0.482 4.802 4.320 0.000 0.000 0.280 148 A C 1.667 179.555 177.584 0.507 0.000 1.743 148 A CA 0.309 52.655 52.037 0.515 0.000 1.430 148 A CB -0.847 18.351 19.000 0.330 0.000 1.085 148 A HN 0.613 nan 8.150 nan 0.000 0.597 149 G N 0.902 109.999 108.800 0.496 0.000 2.422 149 G HA2 -0.154 3.807 3.960 0.000 0.000 0.218 149 G HA3 -0.154 3.807 3.960 0.000 0.000 0.218 149 G C 1.262 176.357 174.900 0.324 0.000 1.146 149 G CA 1.145 46.487 45.100 0.402 0.000 0.769 149 G HN 0.610 nan 8.290 nan 0.000 0.547 150 L N 0.859 122.263 121.223 0.302 0.000 2.109 150 L HA 0.093 4.433 4.340 0.000 0.000 0.207 150 L C 2.936 179.943 176.870 0.229 0.000 1.086 150 L CA 2.049 57.002 54.840 0.188 0.000 0.760 150 L CB -0.891 41.311 42.059 0.238 0.000 0.910 150 L HN 0.157 nan 8.230 nan 0.000 0.437 151 T N -1.195 113.579 114.554 0.366 0.000 2.635 151 T HA -0.265 4.085 4.350 0.000 0.000 0.267 151 T C 1.464 176.186 174.700 0.037 0.000 1.040 151 T CA 2.323 64.619 62.100 0.326 0.000 1.156 151 T CB -0.577 68.342 68.868 0.084 0.000 0.863 151 T HN 0.499 nan 8.240 nan 0.000 0.430 152 W N 0.716 122.137 121.300 0.202 0.000 2.425 152 W HA -0.025 4.635 4.660 0.000 0.000 0.277 152 W C 2.445 178.983 176.519 0.032 0.000 1.231 152 W CA 0.509 57.895 57.345 0.069 0.000 1.248 152 W CB -0.430 29.053 29.460 0.039 0.000 1.117 152 W HN 0.442 nan 8.180 nan 0.000 0.568 153 H N -0.660 118.475 119.070 0.108 0.000 2.319 153 H HA -0.237 4.319 4.556 0.000 0.000 0.299 153 H C 1.676 176.919 175.328 -0.142 0.000 1.092 153 H CA 2.205 58.210 56.048 -0.073 0.000 1.302 153 H CB -0.542 29.075 29.762 -0.241 0.000 1.373 153 H HN 0.125 nan 8.280 nan 0.000 0.497 154 Y N 0.502 120.715 120.300 -0.143 0.000 2.314 154 Y HA 0.013 4.563 4.550 0.000 0.000 0.293 154 Y C 2.975 178.829 175.900 -0.077 0.000 1.129 154 Y CA 0.866 58.798 58.100 -0.279 0.000 1.201 154 Y CB -0.770 37.410 38.460 -0.466 0.000 0.999 154 Y HN 0.335 nan 8.280 nan 0.000 0.541 155 A N -1.092 121.756 122.820 0.048 0.000 1.933 155 A HA -0.208 4.112 4.320 0.000 0.000 0.218 155 A C 2.533 180.121 177.584 0.008 0.000 1.175 155 A CA 1.917 53.834 52.037 -0.201 0.000 0.628 155 A CB -1.012 17.837 19.000 -0.253 0.000 0.814 155 A HN 0.376 nan 8.150 nan 0.000 0.444 156 S N -0.471 115.234 115.700 0.009 0.000 2.383 156 S HA 0.010 4.480 4.470 0.000 0.000 0.227 156 S C 2.175 176.723 174.600 -0.086 0.000 1.026 156 S CA 1.414 59.607 58.200 -0.010 0.000 0.981 156 S CB -0.455 62.729 63.200 -0.027 0.000 0.818 156 S HN 0.804 nan 8.310 nan 0.000 0.472 157 A N 1.129 123.840 122.820 -0.182 0.000 1.933 157 A HA 0.169 4.489 4.320 0.000 0.000 0.218 157 A C 2.392 179.870 177.584 -0.176 0.000 1.175 157 A CA 1.885 53.814 52.037 -0.180 0.000 0.628 157 A CB -1.191 17.618 19.000 -0.319 0.000 0.814 157 A HN 0.747 nan 8.150 nan 0.000 0.444 158 A N -2.254 120.399 122.820 -0.279 0.000 1.970 158 A HA 0.316 4.636 4.320 0.000 0.000 0.216 158 A C 1.515 178.726 177.584 -0.622 0.000 1.170 158 A CA 1.363 53.077 52.037 -0.539 0.000 0.645 158 A CB -0.254 18.274 19.000 -0.787 0.000 0.816 158 A HN 0.499 nan 8.150 nan 0.000 0.447 159 F N -1.778 118.159 119.950 -0.022 0.000 2.876 159 F HA 0.456 4.983 4.527 0.000 0.000 0.344 159 F C 1.100 176.888 175.800 -0.021 0.000 1.029 159 F CA 0.018 58.003 58.000 -0.025 0.000 1.154 159 F CB 0.133 39.104 39.000 -0.049 0.000 1.040 159 F HN 0.385 nan 8.300 nan 0.000 0.576 160 G N 1.055 109.924 108.800 0.114 0.000 2.721 160 G HA2 -0.195 3.765 3.960 0.000 0.000 0.686 160 G HA3 -0.195 3.765 3.960 0.000 0.000 0.686 160 G C -0.134 174.803 174.900 0.061 0.000 1.236 160 G CA -0.353 44.788 45.100 0.067 0.000 0.786 160 G HN 0.034 nan 8.290 nan 0.000 0.616 161 D N 0.640 121.055 120.400 0.025 0.000 2.218 161 D HA 0.052 4.692 4.640 0.000 0.000 0.204 161 D C 2.593 178.884 176.300 -0.015 0.000 0.976 161 D CA 1.875 55.877 54.000 0.003 0.000 0.853 161 D CB -0.169 40.625 40.800 -0.009 0.000 0.939 161 D HN 0.934 nan 8.370 nan 0.000 0.481 162 A N 0.271 123.089 122.820 -0.004 0.000 2.167 162 A HA 0.321 4.641 4.320 0.000 0.000 0.214 162 A C 1.284 178.855 177.584 -0.021 0.000 1.151 162 A CA 0.491 52.518 52.037 -0.016 0.000 0.735 162 A CB -0.247 18.749 19.000 -0.008 0.000 0.802 162 A HN 0.169 nan 8.150 nan 0.000 0.467 163 A N 1.877 124.693 122.820 -0.007 0.000 2.524 163 A HA 0.474 4.794 4.320 0.000 0.000 0.250 163 A C -2.189 175.359 177.584 -0.059 0.000 1.078 163 A CA -1.022 50.999 52.037 -0.026 0.000 0.761 163 A CB -0.233 18.758 19.000 -0.015 0.000 1.012 163 A HN 0.324 nan 8.150 nan 0.000 0.500 164 P HA 0.372 nan 4.420 nan 0.000 0.275 164 P C -0.467 176.802 177.300 -0.051 0.000 1.227 164 P CA 0.164 63.229 63.100 -0.058 0.000 0.781 164 P CB 0.793 32.468 31.700 -0.041 0.000 0.906 165 I N -1.178 119.367 120.570 -0.042 0.000 3.002 165 I HA 0.662 4.832 4.170 0.000 0.000 0.310 165 I C -0.729 175.453 176.117 0.109 0.000 1.087 165 I CA -1.486 59.836 61.300 0.036 0.000 1.017 165 I CB 2.761 40.756 38.000 -0.008 0.000 1.226 165 I HN 0.139 nan 8.210 nan 0.000 0.443 166 K N 2.355 122.878 120.400 0.205 0.000 2.385 166 K HA 0.579 4.899 4.320 0.000 0.000 0.248 166 K C -1.205 175.534 176.600 0.232 0.000 0.955 166 K CA -0.990 55.403 56.287 0.177 0.000 0.816 166 K CB 2.779 35.330 32.500 0.086 0.000 1.250 166 K HN 0.420 nan 8.250 nan 0.000 0.434 167 V N 2.791 122.746 119.914 0.069 0.000 2.540 167 V HA -0.038 4.082 4.120 0.000 0.000 0.297 167 V C 0.051 176.111 176.094 -0.058 0.000 1.024 167 V CA 0.096 62.304 62.300 -0.153 0.000 1.105 167 V CB -0.409 31.313 31.823 -0.167 0.000 0.938 167 V HN 0.547 nan 8.190 nan 0.000 0.482 168 F N 8.727 128.608 119.950 -0.116 0.000 2.529 168 F HA 0.310 4.837 4.527 0.000 0.000 0.365 168 F C -1.377 174.417 175.800 -0.010 0.000 1.102 168 F CA -2.041 55.943 58.000 -0.027 0.000 1.271 168 F CB 0.963 39.949 39.000 -0.025 0.000 1.120 168 F HN 0.380 nan 8.300 nan 0.000 0.579 169 P HA 0.017 nan 4.420 nan 0.000 0.226 169 P C -0.900 176.446 177.300 0.078 0.000 1.783 169 P CA -0.095 62.857 63.100 -0.248 0.000 0.980 169 P CB -0.239 31.297 31.700 -0.275 0.000 1.967 170 N N 2.530 121.415 118.700 0.308 0.000 2.371 170 N HA 0.119 4.859 4.740 0.000 0.000 0.243 170 N C -2.182 173.457 175.510 0.214 0.000 1.287 170 N CA -1.456 51.854 53.050 0.433 0.000 0.911 170 N CB -0.243 38.447 38.487 0.339 0.000 1.142 170 N HN 0.216 nan 8.380 nan 0.000 0.451 171 P HA 0.013 nan 4.420 nan 0.000 0.261 171 P C 0.794 178.110 177.300 0.026 0.000 1.183 171 P CA 0.626 63.722 63.100 -0.007 0.000 0.761 171 P CB 0.175 31.854 31.700 -0.035 0.000 0.785 172 G N 3.582 112.302 108.800 -0.133 0.000 2.299 172 G HA2 -0.279 3.681 3.960 0.000 0.000 0.237 172 G HA3 -0.279 3.681 3.960 0.000 0.000 0.237 172 G C 1.196 176.108 174.900 0.020 0.000 1.027 172 G CA 0.020 45.117 45.100 -0.004 0.000 0.619 172 G HN 0.475 nan 8.290 nan 0.000 0.513 173 K N 0.602 121.015 120.400 0.022 0.000 2.296 173 K HA 0.287 4.607 4.320 0.000 0.000 0.200 173 K C 1.389 177.977 176.600 -0.021 0.000 1.048 173 K CA 1.462 57.755 56.287 0.011 0.000 0.966 173 K CB 0.017 32.527 32.500 0.016 0.000 0.754 173 K HN 1.099 nan 8.250 nan 0.000 0.466 174 V N -1.910 117.974 119.914 -0.049 0.000 3.126 174 V HA 0.517 4.637 4.120 0.000 0.000 0.314 174 V C -2.931 173.097 176.094 -0.109 0.000 1.138 174 V CA -3.197 59.066 62.300 -0.061 0.000 1.034 174 V CB 1.759 33.552 31.823 -0.050 0.000 1.075 174 V HN -0.239 nan 8.190 nan 0.000 0.442 175 P HA 0.315 nan 4.420 nan 0.000 0.264 175 P C -0.493 176.702 177.300 -0.175 0.000 1.193 175 P CA 0.648 63.706 63.100 -0.071 0.000 0.763 175 P CB 0.298 32.028 31.700 0.051 0.000 0.810 176 T N 2.246 116.578 114.554 -0.371 0.000 2.876 176 T HA 0.382 4.732 4.350 0.000 0.000 0.289 176 T C -0.766 173.796 174.700 -0.230 0.000 1.014 176 T CA -0.642 61.218 62.100 -0.402 0.000 0.986 176 T CB 1.570 69.991 68.868 -0.746 0.000 1.021 176 T HN 0.325 nan 8.240 nan 0.000 0.458 177 E N 1.795 121.992 120.200 -0.005 0.000 2.171 177 E HA 0.546 4.896 4.350 0.000 0.000 0.271 177 E C -1.600 175.161 176.600 0.268 0.000 0.916 177 E CA -0.745 55.764 56.400 0.182 0.000 0.774 177 E CB 0.939 30.854 29.700 0.358 0.000 1.128 177 E HN 0.471 nan 8.360 nan 0.000 0.403 178 F N 5.060 125.127 119.950 0.196 0.000 2.482 178 F HA 0.531 5.058 4.527 0.000 0.000 0.331 178 F C -1.664 174.236 175.800 0.167 0.000 1.115 178 F CA -0.662 57.460 58.000 0.203 0.000 0.955 178 F CB 1.268 40.470 39.000 0.336 0.000 1.136 178 F HN 0.190 nan 8.300 nan 0.000 0.452 179 V N 7.520 127.077 119.914 -0.596 0.000 2.525 179 V HA 0.452 4.572 4.120 0.000 0.000 0.299 179 V C -1.480 174.178 176.094 -0.725 0.000 1.034 179 V CA -0.812 61.121 62.300 -0.611 0.000 0.863 179 V CB 1.557 33.101 31.823 -0.465 0.000 0.999 179 V HN 0.667 nan 8.190 nan 0.000 0.423 180 F N 4.273 123.757 119.950 -0.776 0.000 2.585 180 F HA 0.742 5.269 4.527 0.000 0.000 0.319 180 F C 0.689 176.288 175.800 -0.334 0.000 1.165 180 F CA 0.684 58.377 58.000 -0.512 0.000 0.949 180 F CB 1.519 40.278 39.000 -0.403 0.000 1.218 180 F HN 0.914 nan 8.300 nan 0.000 0.453 181 G N 5.944 114.137 108.800 -1.013 0.000 2.634 181 G HA2 -0.450 3.510 3.960 0.000 0.000 0.309 181 G HA3 -0.450 3.510 3.960 0.000 0.000 0.309 181 G C 0.830 175.497 174.900 -0.388 0.000 1.265 181 G CA 0.608 45.263 45.100 -0.742 0.000 0.998 181 G HN 1.216 nan 8.290 nan 0.000 0.551 182 N N 0.899 119.473 118.700 -0.209 0.000 2.515 182 N HA 0.016 4.756 4.740 0.000 0.000 0.185 182 N C 1.087 176.554 175.510 -0.072 0.000 1.109 182 N CA 1.080 54.055 53.050 -0.124 0.000 0.903 182 N CB 0.054 38.515 38.487 -0.042 0.000 0.969 182 N HN 0.644 nan 8.380 nan 0.000 0.450 183 R N 0.923 121.411 120.500 -0.020 0.000 2.265 183 R HA 0.418 4.758 4.340 0.000 0.000 0.314 183 R C -1.256 175.029 176.300 -0.025 0.000 1.053 183 R CA -0.466 55.681 56.100 0.078 0.000 0.931 183 R CB 0.867 31.328 30.300 0.269 0.000 1.024 183 R HN -0.117 nan 8.270 nan 0.000 0.457 184 V N 4.453 124.392 119.914 0.040 0.000 2.604 184 V HA 0.485 4.605 4.120 0.000 0.000 0.305 184 V C -0.660 175.567 176.094 0.222 0.000 1.043 184 V CA -0.790 61.558 62.300 0.080 0.000 0.888 184 V CB 2.172 34.016 31.823 0.036 0.000 0.995 184 V HN 0.803 nan 8.190 nan 0.000 0.429 185 D N 2.929 123.514 120.400 0.308 0.000 2.879 185 D HA 0.508 5.148 4.640 0.000 0.000 0.236 185 D C -0.772 175.617 176.300 0.149 0.000 1.171 185 D CA -0.642 53.511 54.000 0.256 0.000 0.868 185 D CB 2.906 43.910 40.800 0.340 0.000 1.598 185 D HN 0.396 nan 8.370 nan 0.000 0.497 186 R N 1.599 122.030 120.500 -0.116 0.000 2.494 186 R HA 0.573 4.914 4.340 0.000 0.000 0.305 186 R C -0.981 174.919 176.300 -0.667 0.000 0.959 186 R CA -0.862 55.015 56.100 -0.372 0.000 0.864 186 R CB 1.785 31.747 30.300 -0.564 0.000 1.159 186 R HN 0.533 nan 8.270 nan 0.000 0.446 187 Y N -1.688 118.161 120.300 -0.752 0.000 2.656 187 Y HA 0.699 5.249 4.550 0.000 0.000 0.334 187 Y C -1.878 173.916 175.900 -0.178 0.000 1.179 187 Y CA -1.307 56.362 58.100 -0.717 0.000 1.050 187 Y CB 1.450 38.851 38.460 -1.766 0.000 1.308 187 Y HN 0.296 nan 8.280 nan 0.000 0.456 188 V N 2.600 122.577 119.914 0.104 0.000 2.760 188 V HA 0.846 4.966 4.120 0.000 0.000 0.309 188 V C 0.249 176.509 176.094 0.276 0.000 1.077 188 V CA 0.329 62.674 62.300 0.074 0.000 0.910 188 V CB 0.972 32.859 31.823 0.107 0.000 1.008 188 V HN 2.016 nan 8.190 nan 0.000 0.424 189 G N 5.447 114.428 108.800 0.301 0.000 2.645 189 G HA2 -0.198 3.762 3.960 0.000 0.000 0.246 189 G HA3 -0.198 3.762 3.960 0.000 0.000 0.246 189 G C 0.543 175.791 174.900 0.581 0.000 1.322 189 G CA 0.248 45.567 45.100 0.365 0.000 0.898 189 G HN 1.448 nan 8.290 nan 0.000 0.573 190 S N 0.043 115.994 115.700 0.418 0.000 2.559 190 S HA 0.210 4.680 4.470 0.000 0.000 0.226 190 S C 0.330 175.055 174.600 0.209 0.000 1.000 190 S CA 0.521 58.933 58.200 0.354 0.000 0.948 190 S CB 0.320 63.635 63.200 0.191 0.000 0.870 190 S HN 0.757 nan 8.310 nan 0.000 0.497 191 D N 3.121 123.672 120.400 0.253 0.000 2.358 191 D HA 0.135 4.775 4.640 0.000 0.000 0.258 191 D C -1.704 174.733 176.300 0.228 0.000 1.223 191 D CA -1.883 52.221 54.000 0.173 0.000 0.886 191 D CB 1.416 42.312 40.800 0.161 0.000 1.120 191 D HN 0.034 nan 8.370 nan 0.000 0.482 192 P HA -0.147 nan 4.420 nan 0.000 0.221 192 P C 1.133 178.563 177.300 0.217 0.000 1.145 192 P CA 0.844 63.965 63.100 0.035 0.000 0.795 192 P CB 0.229 31.884 31.700 -0.075 0.000 0.775 193 K N -0.134 120.380 120.400 0.191 0.000 2.280 193 K HA -0.126 4.194 4.320 0.000 0.000 0.202 193 K C 0.442 177.214 176.600 0.285 0.000 1.047 193 K CA 1.128 57.532 56.287 0.196 0.000 0.942 193 K CB -0.149 32.426 32.500 0.124 0.000 0.739 193 K HN 0.018 nan 8.250 nan 0.000 0.457 194 D N -0.925 119.714 120.400 0.399 0.000 2.462 194 D HA 0.045 4.685 4.640 0.000 0.000 0.221 194 D C -0.914 175.842 176.300 0.761 0.000 1.173 194 D CA 0.033 54.329 54.000 0.493 0.000 0.831 194 D CB 0.101 41.103 40.800 0.337 0.000 1.001 194 D HN 0.088 nan 8.370 nan 0.000 0.499 195 W N 1.179 122.723 121.300 0.408 0.000 2.496 195 W HA 0.290 4.950 4.660 0.000 0.000 0.327 195 W C 1.724 178.389 176.519 0.243 0.000 1.086 195 W CA -0.885 56.635 57.345 0.292 0.000 1.222 195 W CB 1.020 30.563 29.460 0.139 0.000 1.304 195 W HN -0.110 nan 8.180 nan 0.000 0.547 196 E N 0.690 120.874 120.200 -0.027 0.000 2.110 196 E HA -0.239 4.111 4.350 0.000 0.000 0.193 196 E C -0.108 176.575 176.600 0.137 0.000 0.988 196 E CA 1.182 57.499 56.400 -0.140 0.000 0.804 196 E CB 0.143 29.466 29.700 -0.628 0.000 0.745 196 E HN 0.264 nan 8.360 nan 0.000 0.458 197 D N -0.425 120.096 120.400 0.202 0.000 2.464 197 D HA 0.106 4.746 4.640 0.000 0.000 0.243 197 D C -1.946 174.485 176.300 0.218 0.000 1.104 197 D CA -2.497 51.622 54.000 0.198 0.000 0.883 197 D CB 1.523 42.428 40.800 0.176 0.000 1.050 197 D HN -0.050 nan 8.370 nan 0.000 0.524 198 P HA -0.024 nan 4.420 nan 0.000 0.230 198 P C 0.400 177.702 177.300 0.003 0.000 1.158 198 P CA 0.486 63.638 63.100 0.087 0.000 0.769 198 P CB 0.509 32.265 31.700 0.094 0.000 0.807 199 D N -0.470 119.951 120.400 0.035 0.000 2.358 199 D HA 0.033 4.673 4.640 0.000 0.000 0.224 199 D C 0.201 176.512 176.300 0.017 0.000 1.123 199 D CA -0.163 53.842 54.000 0.009 0.000 0.833 199 D CB -0.361 40.456 40.800 0.028 0.000 0.946 199 D HN -0.107 nan 8.370 nan 0.000 0.505 200 S N 0.546 116.259 115.700 0.021 0.000 2.552 200 S HA 0.032 4.502 4.470 0.000 0.000 0.289 200 S C -1.221 173.388 174.600 0.015 0.000 1.304 200 S CA -0.989 57.250 58.200 0.065 0.000 1.063 200 S CB 0.994 64.276 63.200 0.136 0.000 0.848 200 S HN 0.111 nan 8.310 nan 0.000 0.499 201 P HA -0.039 nan 4.420 nan 0.000 0.221 201 P C 1.277 178.643 177.300 0.110 0.000 1.150 201 P CA 1.069 64.272 63.100 0.172 0.000 0.800 201 P CB -0.319 31.562 31.700 0.302 0.000 0.787 202 T N 0.786 115.372 114.554 0.054 0.000 2.708 202 T HA -0.120 4.230 4.350 0.000 0.000 0.266 202 T C 1.806 176.255 174.700 -0.417 0.000 1.037 202 T CA 0.894 62.914 62.100 -0.134 0.000 1.146 202 T CB -0.859 67.957 68.868 -0.086 0.000 0.865 202 T HN -0.022 nan 8.240 nan 0.000 0.435 203 L N 1.282 122.159 121.223 -0.576 0.000 2.079 203 L HA -0.024 4.316 4.340 0.000 0.000 0.210 203 L C 2.216 178.834 176.870 -0.419 0.000 1.081 203 L CA 1.703 56.084 54.840 -0.765 0.000 0.752 203 L CB -0.656 40.764 42.059 -1.064 0.000 0.896 203 L HN 0.185 nan 8.230 nan 0.000 0.433 204 K N -1.672 118.569 120.400 -0.265 0.000 2.026 204 K HA -0.141 4.179 4.320 0.000 0.000 0.208 204 K C 2.056 178.541 176.600 -0.192 0.000 1.048 204 K CA 1.408 57.580 56.287 -0.192 0.000 0.929 204 K CB -0.565 31.860 32.500 -0.126 0.000 0.713 204 K HN 0.224 nan 8.250 nan 0.000 0.439 205 V N 1.689 121.515 119.914 -0.147 0.000 2.427 205 V HA -0.188 3.932 4.120 0.000 0.000 0.248 205 V C 2.060 178.057 176.094 -0.161 0.000 1.051 205 V CA 1.249 63.475 62.300 -0.123 0.000 1.048 205 V CB -0.178 31.678 31.823 0.056 0.000 0.666 205 V HN 0.248 nan 8.190 nan 0.000 0.456 206 L N 1.118 122.235 121.223 -0.176 0.000 2.042 206 L HA -0.005 4.335 4.340 0.000 0.000 0.210 206 L C 2.331 179.103 176.870 -0.163 0.000 1.076 206 L CA 2.614 57.365 54.840 -0.148 0.000 0.749 206 L CB -1.295 40.628 42.059 -0.228 0.000 0.893 206 L HN 0.317 nan 8.230 nan 0.000 0.432 207 G N -1.424 107.266 108.800 -0.183 0.000 2.408 207 G HA2 -0.165 3.795 3.960 0.000 0.000 0.217 207 G HA3 -0.165 3.795 3.960 0.000 0.000 0.217 207 G C 1.540 176.356 174.900 -0.139 0.000 1.150 207 G CA 0.887 45.901 45.100 -0.145 0.000 0.776 207 G HN 0.317 nan 8.290 nan 0.000 0.542 208 V N 0.560 120.373 119.914 -0.169 0.000 2.287 208 V HA -0.177 3.943 4.120 0.000 0.000 0.248 208 V C 3.023 179.010 176.094 -0.178 0.000 1.053 208 V CA 1.612 63.813 62.300 -0.165 0.000 1.027 208 V CB -0.330 31.381 31.823 -0.187 0.000 0.646 208 V HN 0.252 nan 8.190 nan 0.000 0.447 209 V N 0.007 119.755 119.914 -0.277 0.000 2.453 209 V HA -0.169 3.951 4.120 0.000 0.000 0.247 209 V C 2.635 178.628 176.094 -0.169 0.000 1.048 209 V CA 1.705 63.789 62.300 -0.360 0.000 1.049 209 V CB -0.989 30.277 31.823 -0.927 0.000 0.672 209 V HN 0.545 nan 8.190 nan 0.000 0.457 210 A N 0.782 123.537 122.820 -0.108 0.000 1.877 210 A HA -0.095 4.225 4.320 0.000 0.000 0.216 210 A C 2.454 180.041 177.584 0.005 0.000 1.186 210 A CA 1.966 54.010 52.037 0.012 0.000 0.620 210 A CB -1.348 17.666 19.000 0.023 0.000 0.822 210 A HN 0.506 nan 8.150 nan 0.000 0.443 211 G N -0.666 108.113 108.800 -0.034 0.000 2.469 211 G HA2 -0.047 3.913 3.960 0.000 0.000 0.219 211 G HA3 -0.047 3.913 3.960 0.000 0.000 0.219 211 G C 1.490 176.376 174.900 -0.023 0.000 1.150 211 G CA 1.374 46.456 45.100 -0.031 0.000 0.763 211 G HN 0.761 nan 8.290 nan 0.000 0.561 212 G N 0.059 108.838 108.800 -0.035 0.000 2.430 212 G HA2 0.068 4.028 3.960 0.000 0.000 0.216 212 G HA3 0.068 4.028 3.960 0.000 0.000 0.216 212 G C 1.739 176.667 174.900 0.046 0.000 1.146 212 G CA 0.497 45.579 45.100 -0.030 0.000 0.793 212 G HN 0.426 nan 8.290 nan 0.000 0.537 213 L N -0.323 120.955 121.223 0.093 0.000 2.221 213 L HA 0.132 4.472 4.340 0.000 0.000 0.202 213 L C 2.599 179.551 176.870 0.137 0.000 1.074 213 L CA 0.257 55.199 54.840 0.170 0.000 0.795 213 L CB 0.069 42.250 42.059 0.204 0.000 0.960 213 L HN 0.076 nan 8.230 nan 0.000 0.458 214 V N -1.170 118.807 119.914 0.105 0.000 2.788 214 V HA 0.367 4.487 4.120 0.000 0.000 0.241 214 V C 1.287 177.415 176.094 0.057 0.000 1.083 214 V CA 0.648 63.000 62.300 0.086 0.000 1.103 214 V CB -0.378 31.502 31.823 0.095 0.000 0.800 214 V HN 0.555 nan 8.190 nan 0.000 0.476 215 G N 1.423 110.246 108.800 0.040 0.000 2.598 215 G HA2 -0.228 3.732 3.960 0.000 0.000 0.244 215 G HA3 -0.228 3.732 3.960 0.000 0.000 0.244 215 G C -0.494 174.417 174.900 0.017 0.000 1.302 215 G CA 0.025 45.137 45.100 0.020 0.000 0.903 215 G HN 0.447 nan 8.290 nan 0.000 0.575 216 N N 1.829 120.535 118.700 0.010 0.000 2.362 216 N HA 0.510 5.250 4.740 0.000 0.000 0.298 216 N C -1.398 174.118 175.510 0.008 0.000 1.048 216 N CA -1.293 51.761 53.050 0.007 0.000 0.858 216 N CB 2.402 40.889 38.487 -0.000 0.000 1.218 216 N HN 0.302 nan 8.380 nan 0.000 0.488 217 P HA -0.062 nan 4.420 nan 0.000 0.229 217 P C -0.377 176.926 177.300 0.005 0.000 1.160 217 P CA 1.156 64.262 63.100 0.009 0.000 0.777 217 P CB 0.927 32.634 31.700 0.012 0.000 0.814 218 Q N -1.246 118.556 119.800 0.003 0.000 2.451 218 Q HA 0.529 4.869 4.340 0.000 0.000 0.281 218 Q C 0.269 176.268 176.000 -0.002 0.000 1.099 218 Q CA -0.588 55.215 55.803 0.000 0.000 0.806 218 Q CB 2.420 31.158 28.738 0.001 0.000 1.419 218 Q HN 0.074 nan 8.270 nan 0.000 0.427 219 G N 1.255 110.054 108.800 -0.003 0.000 2.553 219 G HA2 -0.298 3.662 3.960 0.000 0.000 0.242 219 G HA3 -0.298 3.662 3.960 0.000 0.000 0.242 219 G C -0.378 174.518 174.900 -0.006 0.000 1.277 219 G CA -0.009 45.088 45.100 -0.005 0.000 0.910 219 G HN 0.760 nan 8.290 nan 0.000 0.576 220 E N 0.522 120.716 120.200 -0.008 0.000 2.437 220 E HA 0.070 4.420 4.350 0.000 0.000 0.263 220 E C 0.054 176.648 176.600 -0.010 0.000 1.030 220 E CA -0.112 56.282 56.400 -0.010 0.000 0.934 220 E CB 0.089 29.781 29.700 -0.013 0.000 0.943 220 E HN 0.410 nan 8.360 nan 0.000 0.444 221 N N 3.224 121.918 118.700 -0.010 0.000 2.408 221 N HA 0.062 4.802 4.740 0.000 0.000 0.257 221 N C 0.360 175.861 175.510 -0.015 0.000 1.064 221 N CA 0.025 53.070 53.050 -0.008 0.000 0.952 221 N CB 1.706 40.190 38.487 -0.005 0.000 1.093 221 N HN 0.416 nan 8.380 nan 0.000 0.490 222 V N -0.646 119.258 119.914 -0.017 0.000 3.556 222 V HA 0.446 4.566 4.120 0.000 0.000 0.287 222 V C 0.820 176.891 176.094 -0.038 0.000 1.422 222 V CA -0.297 61.986 62.300 -0.029 0.000 1.038 222 V CB -0.096 31.709 31.823 -0.030 0.000 0.850 222 V HN 0.462 nan 8.190 nan 0.000 0.437 223 A N 0.475 123.281 122.820 -0.023 0.000 2.351 223 A HA 0.606 4.926 4.320 0.000 0.000 0.257 223 A C 0.999 178.530 177.584 -0.089 0.000 1.087 223 A CA 0.061 52.082 52.037 -0.026 0.000 0.798 223 A CB 0.871 19.889 19.000 0.030 0.000 1.033 223 A HN 0.396 nan 8.150 nan 0.000 0.488 224 M N 0.136 119.616 119.600 -0.200 0.000 2.447 224 M HA 0.076 4.556 4.480 0.000 0.000 0.264 224 M C -0.721 175.184 176.300 -0.657 0.000 1.095 224 M CA 1.238 56.242 55.300 -0.493 0.000 1.125 224 M CB 0.044 32.168 32.600 -0.794 0.000 1.389 224 M HN 0.731 nan 8.290 nan 0.000 0.459 225 Y N 0.565 120.850 120.300 -0.026 0.000 2.748 225 Y HA 0.397 4.947 4.550 0.000 0.000 0.359 225 Y C -2.283 173.737 175.900 0.200 0.000 1.030 225 Y CA -3.114 54.945 58.100 -0.068 0.000 1.169 225 Y CB -0.365 37.870 38.460 -0.375 0.000 1.127 225 Y HN 0.078 nan 8.280 nan 0.000 0.644 226 P HA 0.201 nan 4.420 nan 0.000 0.272 226 P C -0.258 177.290 177.300 0.413 0.000 1.230 226 P CA 0.027 63.281 63.100 0.257 0.000 0.788 226 P CB 1.680 33.471 31.700 0.152 0.000 0.949 227 I N 0.221 120.943 120.570 0.254 0.000 2.436 227 I HA 0.429 4.599 4.170 0.000 0.000 0.289 227 I C 0.461 176.599 176.117 0.035 0.000 1.010 227 I CA -0.845 60.598 61.300 0.240 0.000 1.098 227 I CB 1.459 39.545 38.000 0.145 0.000 1.266 227 I HN 0.503 nan 8.210 nan 0.000 0.434 228 A N 5.368 128.150 122.820 -0.064 0.000 2.832 228 A HA -0.259 4.061 4.320 0.000 0.000 0.280 228 A C 0.891 178.313 177.584 -0.270 0.000 1.464 228 A CA 1.060 52.742 52.037 -0.592 0.000 0.804 228 A CB -1.913 16.522 19.000 -0.941 0.000 1.020 228 A HN 0.988 nan 8.150 nan 0.000 0.563 229 N N -4.034 114.629 118.700 -0.062 0.000 2.828 229 N HA -0.225 4.515 4.740 0.000 0.000 0.248 229 N C 0.181 175.682 175.510 -0.015 0.000 1.044 229 N CA 1.777 54.820 53.050 -0.013 0.000 0.851 229 N CB -2.219 36.254 38.487 -0.024 0.000 1.136 229 N HN 2.120 nan 8.380 nan 0.000 0.572 230 V N -3.725 116.179 119.914 -0.017 0.000 3.141 230 V HA 0.672 4.792 4.120 0.000 0.000 0.312 230 V C -0.086 176.021 176.094 0.021 0.000 1.157 230 V CA -0.994 61.301 62.300 -0.008 0.000 1.041 230 V CB 2.264 34.066 31.823 -0.034 0.000 1.071 230 V HN -0.131 nan 8.190 nan 0.000 0.441 231 D N 2.349 122.759 120.400 0.017 0.000 2.399 231 D HA 0.297 4.937 4.640 0.000 0.000 0.241 231 D C -1.799 174.519 176.300 0.030 0.000 1.133 231 D CA -1.513 52.506 54.000 0.031 0.000 0.890 231 D CB 1.539 42.351 40.800 0.020 0.000 1.201 231 D HN 0.431 nan 8.370 nan 0.000 0.432 232 P HA -0.147 nan 4.420 nan 0.000 0.218 232 P C 0.970 178.281 177.300 0.018 0.000 1.148 232 P CA 1.501 64.615 63.100 0.023 0.000 0.822 232 P CB 0.188 31.909 31.700 0.034 0.000 0.784 233 A N 0.038 122.874 122.820 0.027 0.000 1.940 233 A HA -0.257 4.063 4.320 0.000 0.000 0.219 233 A C 2.080 179.674 177.584 0.017 0.000 1.176 233 A CA 1.800 53.853 52.037 0.026 0.000 0.631 233 A CB -0.988 18.027 19.000 0.026 0.000 0.814 233 A HN 0.188 nan 8.150 nan 0.000 0.446 234 K N -0.653 119.752 120.400 0.009 0.000 2.062 234 K HA -0.017 4.303 4.320 0.000 0.000 0.205 234 K C 1.741 178.336 176.600 -0.007 0.000 1.051 234 K CA 1.138 57.425 56.287 0.000 0.000 0.941 234 K CB -0.235 32.261 32.500 -0.007 0.000 0.719 234 K HN 0.377 nan 8.250 nan 0.000 0.440 235 I N 1.405 121.966 120.570 -0.015 0.000 2.315 235 I HA -0.186 3.984 4.170 0.000 0.000 0.248 235 I C 2.495 178.593 176.117 -0.031 0.000 1.117 235 I CA 1.095 62.375 61.300 -0.034 0.000 1.404 235 I CB -1.437 36.534 38.000 -0.048 0.000 1.071 235 I HN 0.076 nan 8.210 nan 0.000 0.419 236 A N 1.061 123.883 122.820 0.003 0.000 1.908 236 A HA -0.176 4.144 4.320 0.000 0.000 0.218 236 A C 2.565 180.195 177.584 0.077 0.000 1.181 236 A CA 2.180 54.257 52.037 0.067 0.000 0.627 236 A CB -0.750 18.297 19.000 0.078 0.000 0.818 236 A HN 0.422 nan 8.150 nan 0.000 0.445 237 A N -0.381 122.463 122.820 0.039 0.000 1.930 237 A HA -0.008 4.312 4.320 0.000 0.000 0.217 237 A C 2.110 179.704 177.584 0.017 0.000 1.175 237 A CA 1.390 53.449 52.037 0.035 0.000 0.627 237 A CB -0.524 18.489 19.000 0.021 0.000 0.815 237 A HN 0.501 nan 8.150 nan 0.000 0.443 238 I N -0.324 120.242 120.570 -0.006 0.000 2.202 238 I HA -0.239 3.931 4.170 0.000 0.000 0.242 238 I C 2.262 178.343 176.117 -0.059 0.000 1.091 238 I CA 1.053 62.337 61.300 -0.025 0.000 1.368 238 I CB -0.302 37.681 38.000 -0.029 0.000 1.058 238 I HN 0.272 nan 8.210 nan 0.000 0.410 239 L N 0.386 121.543 121.223 -0.110 0.000 2.131 239 L HA -0.214 4.126 4.340 0.000 0.000 0.210 239 L C 1.821 178.558 176.870 -0.222 0.000 1.092 239 L CA 1.190 55.866 54.840 -0.273 0.000 0.759 239 L CB -0.593 41.170 42.059 -0.494 0.000 0.903 239 L HN 0.308 nan 8.230 nan 0.000 0.435 240 N N -0.071 118.640 118.700 0.018 0.000 2.336 240 N HA 0.103 4.843 4.740 0.000 0.000 0.189 240 N C 0.259 175.809 175.510 0.066 0.000 1.113 240 N CA 0.114 53.248 53.050 0.141 0.000 0.858 240 N CB 0.258 38.890 38.487 0.241 0.000 0.970 240 N HN 0.187 nan 8.380 nan 0.000 0.471 241 A N -0.355 122.477 122.820 0.020 0.000 2.354 241 A HA 0.593 4.914 4.320 0.000 0.000 0.269 241 A C 1.398 178.990 177.584 0.014 0.000 1.109 241 A CA 0.097 52.144 52.037 0.017 0.000 0.800 241 A CB 0.458 19.460 19.000 0.004 0.000 1.045 241 A HN 0.285 nan 8.150 nan 0.000 0.489 242 A N 1.819 124.650 122.820 0.018 0.000 1.902 242 A HA 0.104 4.424 4.320 0.000 0.000 0.217 242 A C 1.138 178.727 177.584 0.008 0.000 1.181 242 A CA 2.010 54.056 52.037 0.015 0.000 0.623 242 A CB -0.281 18.728 19.000 0.015 0.000 0.818 242 A HN 0.806 nan 8.150 nan 0.000 0.443 243 T N 1.752 116.310 114.554 0.006 0.000 3.226 243 T HA 0.452 4.802 4.350 0.000 0.000 0.378 243 T C -2.804 171.898 174.700 0.002 0.000 1.380 243 T CA -1.005 61.097 62.100 0.004 0.000 1.396 243 T CB 1.292 70.163 68.868 0.004 0.000 1.044 243 T HN 0.214 nan 8.240 nan 0.000 0.586 244 P HA 0.391 nan 4.420 nan 0.000 0.272 244 P C -2.576 174.726 177.300 0.004 0.000 1.240 244 P CA -1.435 61.664 63.100 -0.002 0.000 0.791 244 P CB -0.404 31.290 31.700 -0.010 0.000 0.978 245 P HA 0.121 nan 4.420 nan 0.000 0.268 245 P C -0.445 176.865 177.300 0.016 0.000 1.208 245 P CA 0.009 63.117 63.100 0.012 0.000 0.777 245 P CB 0.066 31.776 31.700 0.016 0.000 0.875 246 A N 2.410 125.240 122.820 0.016 0.000 2.531 246 A HA 0.098 4.418 4.320 0.000 0.000 0.236 246 A C 0.910 178.509 177.584 0.026 0.000 1.062 246 A CA 0.442 52.489 52.037 0.017 0.000 0.760 246 A CB -0.598 18.411 19.000 0.015 0.000 0.995 246 A HN 0.773 nan 8.150 nan 0.000 0.501 247 D N -0.138 120.278 120.400 0.026 0.000 2.837 247 D HA -0.304 4.336 4.640 0.000 0.000 0.195 247 D C 1.228 177.558 176.300 0.050 0.000 1.033 247 D CA 1.908 55.929 54.000 0.034 0.000 1.021 247 D CB -1.642 39.180 40.800 0.037 0.000 1.101 247 D HN 0.912 nan 8.370 nan 0.000 0.431 248 A N 0.669 123.518 122.820 0.049 0.000 1.873 248 A HA -0.041 4.279 4.320 0.000 0.000 0.215 248 A C 2.540 180.162 177.584 0.064 0.000 1.186 248 A CA 1.648 53.725 52.037 0.067 0.000 0.616 248 A CB -0.643 18.381 19.000 0.039 0.000 0.823 248 A HN 0.331 nan 8.150 nan 0.000 0.442 249 L N -0.734 120.506 121.223 0.029 0.000 2.046 249 L HA -0.214 4.126 4.340 0.000 0.000 0.208 249 L C 2.648 179.539 176.870 0.036 0.000 1.077 249 L CA 1.814 56.664 54.840 0.017 0.000 0.747 249 L CB -0.590 41.467 42.059 -0.005 0.000 0.896 249 L HN 0.518 nan 8.230 nan 0.000 0.432 250 E N 0.534 120.756 120.200 0.036 0.000 2.077 250 E HA -0.201 4.149 4.350 0.000 0.000 0.193 250 E C 2.331 178.952 176.600 0.035 0.000 0.989 250 E CA 1.294 57.714 56.400 0.034 0.000 0.800 250 E CB 0.022 29.736 29.700 0.023 0.000 0.746 250 E HN 0.164 nan 8.360 nan 0.000 0.452 251 R N 0.133 120.662 120.500 0.048 0.000 2.092 251 R HA -0.028 4.312 4.340 0.000 0.000 0.231 251 R C 2.550 178.896 176.300 0.078 0.000 1.119 251 R CA 1.208 57.317 56.100 0.015 0.000 0.970 251 R CB -0.665 29.680 30.300 0.075 0.000 0.864 251 R HN 0.375 nan 8.270 nan 0.000 0.440 252 I N 0.953 121.639 120.570 0.194 0.000 2.179 252 I HA -0.319 3.851 4.170 0.000 0.000 0.242 252 I C 2.711 178.937 176.117 0.183 0.000 1.088 252 I CA 1.397 62.837 61.300 0.232 0.000 1.357 252 I CB -0.307 37.772 38.000 0.132 0.000 1.051 252 I HN 0.086 nan 8.210 nan 0.000 0.409 253 Q N 0.842 120.710 119.800 0.114 0.000 2.050 253 Q HA -0.211 4.130 4.340 0.000 0.000 0.202 253 Q C 2.187 178.267 176.000 0.132 0.000 0.980 253 Q CA 2.893 58.771 55.803 0.126 0.000 0.840 253 Q CB -0.352 28.442 28.738 0.093 0.000 0.898 253 Q HN 0.617 nan 8.270 nan 0.000 0.424 254 T N -3.325 111.271 114.554 0.070 0.000 3.040 254 T HA 0.189 4.539 4.350 0.000 0.000 0.252 254 T C 1.624 176.319 174.700 -0.008 0.000 1.064 254 T CA 0.702 62.824 62.100 0.037 0.000 1.110 254 T CB 0.170 69.046 68.868 0.013 0.000 0.921 254 T HN 0.240 nan 8.240 nan 0.000 0.480 255 K N -1.049 119.305 120.400 -0.076 0.000 2.378 255 K HA 0.231 4.551 4.320 0.000 0.000 0.222 255 K C 1.678 178.223 176.600 -0.091 0.000 1.178 255 K CA -0.122 56.042 56.287 -0.204 0.000 0.827 255 K CB 0.091 32.280 32.500 -0.520 0.000 1.412 255 K HN 0.141 nan 8.250 nan 0.000 0.443 256 Y N 0.197 120.576 120.300 0.132 0.000 2.220 256 Y HA -0.164 4.386 4.550 0.000 0.000 0.291 256 Y C 2.197 178.251 175.900 0.256 0.000 1.129 256 Y CA 1.171 59.371 58.100 0.167 0.000 1.161 256 Y CB -0.580 37.974 38.460 0.157 0.000 0.997 256 Y HN 0.369 nan 8.280 nan 0.000 0.522 257 W N 1.911 123.322 121.300 0.185 0.000 2.388 257 W HA -0.092 4.568 4.660 0.000 0.000 0.294 257 W C -1.146 175.433 176.519 0.100 0.000 1.212 257 W CA 0.950 58.368 57.345 0.121 0.000 1.271 257 W CB -1.052 28.429 29.460 0.035 0.000 1.126 257 W HN 0.115 nan 8.180 nan 0.000 0.535 258 P HA -0.199 nan 4.420 nan 0.000 0.216 258 P C 1.075 178.321 177.300 -0.090 0.000 1.150 258 P CA 2.267 65.331 63.100 -0.060 0.000 0.837 258 P CB -0.269 31.444 31.700 0.022 0.000 0.786 259 E N -1.858 118.345 120.200 0.005 0.000 2.106 259 E HA -0.169 4.181 4.350 0.000 0.000 0.192 259 E C 1.794 178.352 176.600 -0.069 0.000 0.984 259 E CA 0.683 57.076 56.400 -0.012 0.000 0.806 259 E CB -0.577 29.170 29.700 0.079 0.000 0.750 259 E HN 0.211 nan 8.360 nan 0.000 0.458 260 F N 1.420 121.284 119.950 -0.144 0.000 2.102 260 F HA -0.202 4.325 4.527 0.000 0.000 0.298 260 F C 1.991 177.576 175.800 -0.359 0.000 1.105 260 F CA 1.389 59.284 58.000 -0.175 0.000 1.239 260 F CB -0.056 38.835 39.000 -0.181 0.000 0.991 260 F HN -0.089 nan 8.300 nan 0.000 0.474 261 I N 0.219 120.543 120.570 -0.410 0.000 2.208 261 I HA -0.343 3.827 4.170 0.000 0.000 0.245 261 I C 2.698 178.606 176.117 -0.347 0.000 1.097 261 I CA 1.257 62.263 61.300 -0.490 0.000 1.363 261 I CB -1.010 36.566 38.000 -0.706 0.000 1.051 261 I HN 0.237 nan 8.210 nan 0.000 0.413 262 A N 0.225 122.881 122.820 -0.273 0.000 1.908 262 A HA -0.268 4.052 4.320 0.000 0.000 0.218 262 A C 2.270 179.686 177.584 -0.279 0.000 1.181 262 A CA 1.754 53.674 52.037 -0.195 0.000 0.627 262 A CB -0.592 18.328 19.000 -0.134 0.000 0.818 262 A HN 0.515 nan 8.150 nan 0.000 0.445 263 Q N -2.460 117.057 119.800 -0.472 0.000 2.137 263 Q HA -0.084 4.256 4.340 0.000 0.000 0.198 263 Q C 0.850 176.406 176.000 -0.740 0.000 0.960 263 Q CA 1.450 56.810 55.803 -0.739 0.000 0.847 263 Q CB -0.038 27.948 28.738 -1.253 0.000 0.915 263 Q HN 0.859 nan 8.270 nan 0.000 0.448 264 Y N -1.532 118.522 120.300 -0.411 0.000 2.527 264 Y HA 0.139 4.689 4.550 0.000 0.000 0.247 264 Y C 0.857 176.571 175.900 -0.310 0.000 1.138 264 Y CA -0.551 57.284 58.100 -0.443 0.000 1.228 264 Y CB 0.430 38.421 38.460 -0.783 0.000 1.252 264 Y HN 0.025 nan 8.280 nan 0.000 0.531 265 D N 0.123 120.441 120.400 -0.136 0.000 2.350 265 D HA -0.046 4.594 4.640 0.000 0.000 0.216 265 D C 2.178 178.469 176.300 -0.016 0.000 0.968 265 D CA 1.267 55.224 54.000 -0.073 0.000 0.894 265 D CB -0.048 40.701 40.800 -0.086 0.000 0.909 265 D HN 0.355 nan 8.370 nan 0.000 0.520 266 G N -0.430 108.355 108.800 -0.026 0.000 3.284 266 G HA2 0.202 4.162 3.960 0.000 0.000 0.236 266 G HA3 0.202 4.162 3.960 0.000 0.000 0.236 266 G C -0.038 174.854 174.900 -0.012 0.000 1.158 266 G CA -0.256 44.838 45.100 -0.010 0.000 0.774 266 G HN 0.195 nan 8.290 nan 0.000 0.545 267 L N 2.264 123.473 121.223 -0.023 0.000 2.333 267 L HA 0.547 4.887 4.340 0.000 0.000 0.280 267 L C 0.575 177.410 176.870 -0.059 0.000 1.004 267 L CA -0.555 54.261 54.840 -0.040 0.000 0.820 267 L CB 1.668 43.691 42.059 -0.061 0.000 1.247 267 L HN 0.072 nan 8.230 nan 0.000 0.416 268 T N 1.427 115.953 114.554 -0.047 0.000 2.868 268 T HA 0.197 4.547 4.350 0.000 0.000 0.292 268 T C 1.170 175.826 174.700 -0.073 0.000 1.028 268 T CA -0.432 61.645 62.100 -0.038 0.000 1.059 268 T CB 0.824 69.684 68.868 -0.013 0.000 0.991 268 T HN 0.626 nan 8.240 nan 0.000 0.531 269 L N 2.517 123.721 121.223 -0.032 0.000 2.012 269 L HA 0.126 4.466 4.340 0.000 0.000 0.210 269 L C 2.533 179.270 176.870 -0.221 0.000 1.073 269 L CA 2.599 57.422 54.840 -0.028 0.000 0.748 269 L CB -1.461 40.687 42.059 0.148 0.000 0.891 269 L HN 0.963 nan 8.230 nan 0.000 0.431 270 G N -1.191 107.388 108.800 -0.367 0.000 2.418 270 G HA2 -0.250 3.710 3.960 0.000 0.000 0.217 270 G HA3 -0.250 3.710 3.960 0.000 0.000 0.217 270 G C 1.600 176.311 174.900 -0.316 0.000 1.158 270 G CA 0.885 45.539 45.100 -0.744 0.000 0.771 270 G HN 0.683 nan 8.290 nan 0.000 0.545 271 A N 1.122 123.855 122.820 -0.146 0.000 1.902 271 A HA 0.277 4.597 4.320 0.000 0.000 0.217 271 A C 2.809 180.359 177.584 -0.056 0.000 1.181 271 A CA 2.235 54.230 52.037 -0.070 0.000 0.623 271 A CB -0.738 18.240 19.000 -0.036 0.000 0.818 271 A HN 0.762 nan 8.150 nan 0.000 0.443 272 A N -0.595 122.167 122.820 -0.098 0.000 1.898 272 A HA 0.025 4.345 4.320 0.000 0.000 0.216 272 A C 2.214 179.811 177.584 0.021 0.000 1.181 272 A CA 1.693 53.700 52.037 -0.050 0.000 0.620 272 A CB -0.912 17.927 19.000 -0.269 0.000 0.819 272 A HN 0.379 nan 8.150 nan 0.000 0.442 273 V N 0.044 119.921 119.914 -0.062 0.000 2.343 273 V HA -0.259 3.861 4.120 0.000 0.000 0.247 273 V C 2.651 178.734 176.094 -0.018 0.000 1.051 273 V CA 2.331 64.600 62.300 -0.052 0.000 1.036 273 V CB -0.791 30.994 31.823 -0.065 0.000 0.654 273 V HN 0.667 nan 8.190 nan 0.000 0.451 274 R N -0.148 120.340 120.500 -0.019 0.000 2.092 274 R HA -0.158 4.182 4.340 0.000 0.000 0.231 274 R C 2.276 178.595 176.300 0.031 0.000 1.119 274 R CA 1.574 57.686 56.100 0.020 0.000 0.970 274 R CB -0.128 30.183 30.300 0.019 0.000 0.864 274 R HN 0.623 nan 8.270 nan 0.000 0.440 275 E N 0.266 120.494 120.200 0.047 0.000 2.051 275 E HA -0.205 4.145 4.350 0.000 0.000 0.192 275 E C 2.035 178.655 176.600 0.032 0.000 0.991 275 E CA 1.535 57.971 56.400 0.061 0.000 0.799 275 E CB -0.104 29.672 29.700 0.126 0.000 0.748 275 E HN 0.394 nan 8.360 nan 0.000 0.449 276 I N 0.658 121.247 120.570 0.031 0.000 2.179 276 I HA -0.263 3.907 4.170 0.000 0.000 0.242 276 I C 2.406 178.506 176.117 -0.027 0.000 1.088 276 I CA 0.815 62.105 61.300 -0.017 0.000 1.357 276 I CB -0.223 37.764 38.000 -0.023 0.000 1.051 276 I HN -0.014 nan 8.210 nan 0.000 0.409 277 V N 0.492 120.398 119.914 -0.015 0.000 2.332 277 V HA -0.309 3.811 4.120 0.000 0.000 0.248 277 V C 2.506 178.631 176.094 0.052 0.000 1.055 277 V CA 2.529 64.830 62.300 0.001 0.000 1.038 277 V CB -1.009 30.841 31.823 0.044 0.000 0.651 277 V HN 0.483 nan 8.190 nan 0.000 0.450 278 T N 0.032 114.618 114.554 0.054 0.000 2.684 278 T HA -0.186 4.164 4.350 0.000 0.000 0.267 278 T C 1.947 176.704 174.700 0.095 0.000 1.036 278 T CA 1.787 63.935 62.100 0.080 0.000 1.148 278 T CB -0.310 68.589 68.868 0.050 0.000 0.863 278 T HN 0.288 nan 8.240 nan 0.000 0.436 279 V N 1.664 121.602 119.914 0.040 0.000 2.343 279 V HA -0.179 3.941 4.120 0.000 0.000 0.247 279 V C 2.861 178.960 176.094 0.009 0.000 1.051 279 V CA 1.730 64.039 62.300 0.015 0.000 1.036 279 V CB -1.179 30.631 31.823 -0.023 0.000 0.654 279 V HN 0.545 nan 8.190 nan 0.000 0.451 280 A N -0.921 121.897 122.820 -0.003 0.000 1.930 280 A HA -0.191 4.129 4.320 0.000 0.000 0.217 280 A C 2.093 179.664 177.584 -0.021 0.000 1.175 280 A CA 1.742 53.755 52.037 -0.041 0.000 0.627 280 A CB -0.624 18.325 19.000 -0.085 0.000 0.815 280 A HN 0.524 nan 8.150 nan 0.000 0.443 281 F N 0.783 120.684 119.950 -0.082 0.000 2.206 281 F HA -0.065 4.462 4.527 0.000 0.000 0.298 281 F C 2.172 177.957 175.800 -0.025 0.000 1.090 281 F CA 1.860 59.830 58.000 -0.050 0.000 1.323 281 F CB -0.091 38.912 39.000 0.006 0.000 1.028 281 F HN 0.331 nan 8.300 nan 0.000 0.492 282 E N 0.082 120.348 120.200 0.111 0.000 2.110 282 E HA -0.265 4.085 4.350 0.000 0.000 0.193 282 E C 1.984 178.547 176.600 -0.063 0.000 0.988 282 E CA 1.282 57.701 56.400 0.032 0.000 0.804 282 E CB -0.227 29.512 29.700 0.064 0.000 0.745 282 E HN 0.329 nan 8.360 nan 0.000 0.458 283 K N -0.355 120.005 120.400 -0.066 0.000 2.365 283 K HA -0.082 4.238 4.320 0.000 0.000 0.199 283 K C 0.973 177.500 176.600 -0.123 0.000 1.045 283 K CA 0.899 57.136 56.287 -0.082 0.000 0.962 283 K CB 0.165 32.623 32.500 -0.070 0.000 0.759 283 K HN 0.253 nan 8.250 nan 0.000 0.469 284 G N -0.314 108.371 108.800 -0.192 0.000 2.157 284 G HA2 -0.233 3.727 3.960 0.000 0.000 0.239 284 G HA3 -0.233 3.727 3.960 0.000 0.000 0.239 284 G C 0.707 175.494 174.900 -0.189 0.000 0.982 284 G CA 0.638 45.603 45.100 -0.224 0.000 0.650 284 G HN 0.370 nan 8.290 nan 0.000 0.527 285 T N 0.234 114.688 114.554 -0.167 0.000 2.904 285 T HA 0.236 4.586 4.350 0.000 0.000 0.267 285 T C 1.091 175.685 174.700 -0.177 0.000 1.059 285 T CA 0.911 62.923 62.100 -0.147 0.000 1.137 285 T CB 0.099 68.888 68.868 -0.132 0.000 0.879 285 T HN 0.349 nan 8.240 nan 0.000 0.467 286 L N 3.247 124.339 121.223 -0.220 0.000 2.298 286 L HA 0.408 4.749 4.340 0.000 0.000 0.284 286 L C -2.350 174.430 176.870 -0.150 0.000 1.013 286 L CA -2.364 52.320 54.840 -0.260 0.000 0.824 286 L CB 1.737 43.496 42.059 -0.499 0.000 1.221 286 L HN -0.048 nan 8.230 nan 0.000 0.418 287 P HA 0.329 nan 4.420 nan 0.000 0.278 287 P C -2.700 174.798 177.300 0.330 0.000 1.258 287 P CA -2.084 61.035 63.100 0.031 0.000 0.811 287 P CB 0.044 31.768 31.700 0.041 0.000 1.063 288 P HA -0.047 nan 4.420 nan 0.000 0.265 288 P C 1.230 178.633 177.300 0.173 0.000 1.187 288 P CA 0.237 63.545 63.100 0.346 0.000 0.766 288 P CB 0.193 32.008 31.700 0.193 0.000 0.820 289 V N 1.440 121.378 119.914 0.041 0.000 2.427 289 V HA -0.113 4.007 4.120 0.000 0.000 0.248 289 V C 0.997 177.009 176.094 -0.137 0.000 1.051 289 V CA 2.362 64.555 62.300 -0.178 0.000 1.048 289 V CB -0.852 30.620 31.823 -0.585 0.000 0.666 289 V HN 0.772 nan 8.190 nan 0.000 0.456 290 D N -3.040 117.301 120.400 -0.098 0.000 2.825 290 D HA 0.270 4.910 4.640 0.000 0.000 0.327 290 D C 1.034 177.321 176.300 -0.021 0.000 1.277 290 D CA 0.135 54.103 54.000 -0.054 0.000 0.950 290 D CB 0.792 41.544 40.800 -0.080 0.000 1.438 290 D HN -0.046 nan 8.370 nan 0.000 0.526 291 G N -0.844 107.948 108.800 -0.013 0.000 2.586 291 G HA2 -0.044 3.916 3.960 0.000 0.000 0.215 291 G HA3 -0.044 3.916 3.960 0.000 0.000 0.215 291 G C 1.010 175.908 174.900 -0.003 0.000 1.128 291 G CA 0.772 45.872 45.100 -0.001 0.000 0.774 291 G HN 0.251 nan 8.290 nan 0.000 0.543 292 V N 0.049 119.952 119.914 -0.017 0.000 3.431 292 V HA 0.347 4.467 4.120 0.000 0.000 0.253 292 V C 1.176 177.264 176.094 -0.011 0.000 1.184 292 V CA -0.167 62.125 62.300 -0.012 0.000 1.104 292 V CB 0.050 31.863 31.823 -0.017 0.000 0.799 292 V HN 0.191 nan 8.190 nan 0.000 0.462 293 L N 2.381 123.589 121.223 -0.025 0.000 2.462 293 L HA 0.141 4.481 4.340 0.000 0.000 0.272 293 L C 0.632 177.507 176.870 0.009 0.000 1.166 293 L CA -0.216 54.608 54.840 -0.026 0.000 0.880 293 L CB 0.444 42.459 42.059 -0.073 0.000 1.142 293 L HN 0.445 nan 8.230 nan 0.000 0.473 294 D N 3.146 123.551 120.400 0.008 0.000 2.278 294 D HA -0.054 4.586 4.640 0.000 0.000 0.240 294 D C 1.038 177.336 176.300 -0.002 0.000 1.347 294 D CA -0.383 53.629 54.000 0.020 0.000 0.945 294 D CB 0.659 41.467 40.800 0.014 0.000 1.175 294 D HN 0.168 nan 8.370 nan 0.000 0.519 295 V N 0.028 119.946 119.914 0.006 0.000 2.244 295 V HA -0.214 3.906 4.120 0.000 0.000 0.244 295 V C 2.151 178.104 176.094 -0.235 0.000 1.042 295 V CA 2.431 64.686 62.300 -0.075 0.000 1.006 295 V CB -1.025 30.834 31.823 0.060 0.000 0.641 295 V HN 0.736 nan 8.190 nan 0.000 0.446 296 D N -0.610 119.724 120.400 -0.109 0.000 2.178 296 D HA -0.170 4.470 4.640 0.000 0.000 0.201 296 D C 2.110 178.365 176.300 -0.076 0.000 0.980 296 D CA 0.862 54.805 54.000 -0.095 0.000 0.842 296 D CB 0.064 40.843 40.800 -0.035 0.000 0.948 296 D HN 0.344 nan 8.370 nan 0.000 0.472 297 E N -0.109 120.058 120.200 -0.055 0.000 2.106 297 E HA -0.075 4.275 4.350 0.000 0.000 0.192 297 E C 2.254 178.835 176.600 -0.031 0.000 0.984 297 E CA 0.507 56.895 56.400 -0.018 0.000 0.806 297 E CB -0.476 29.221 29.700 -0.004 0.000 0.750 297 E HN 0.183 nan 8.360 nan 0.000 0.458 298 S N 0.818 116.447 115.700 -0.117 0.000 2.355 298 S HA -0.057 4.413 4.470 0.000 0.000 0.222 298 S C 2.121 176.669 174.600 -0.085 0.000 1.031 298 S CA 0.676 58.792 58.200 -0.140 0.000 0.993 298 S CB -0.211 62.920 63.200 -0.115 0.000 0.859 298 S HN 0.184 nan 8.310 nan 0.000 0.453 299 I N 1.335 121.758 120.570 -0.245 0.000 2.163 299 I HA -0.217 3.953 4.170 0.000 0.000 0.243 299 I C 2.453 178.622 176.117 0.087 0.000 1.085 299 I CA 1.060 62.313 61.300 -0.079 0.000 1.347 299 I CB -0.429 37.458 38.000 -0.190 0.000 1.044 299 I HN 0.218 nan 8.210 nan 0.000 0.408 300 S N -0.227 115.505 115.700 0.055 0.000 2.359 300 S HA -0.263 4.207 4.470 0.000 0.000 0.224 300 S C 1.944 176.638 174.600 0.157 0.000 1.035 300 S CA 1.440 59.703 58.200 0.105 0.000 1.018 300 S CB -0.573 62.679 63.200 0.087 0.000 0.876 300 S HN 0.438 nan 8.310 nan 0.000 0.448 301 Y N 0.894 121.199 120.300 0.008 0.000 2.114 301 Y HA -0.301 4.249 4.550 0.000 0.000 0.282 301 Y C 2.101 177.977 175.900 -0.041 0.000 1.165 301 Y CA 1.755 59.856 58.100 0.001 0.000 1.148 301 Y CB -0.393 37.995 38.460 -0.120 0.000 0.972 301 Y HN 0.219 nan 8.280 nan 0.000 0.504 302 Y N -1.150 119.312 120.300 0.271 0.000 2.200 302 Y HA -0.230 4.320 4.550 0.000 0.000 0.290 302 Y C 2.529 178.485 175.900 0.092 0.000 1.137 302 Y CA 1.493 59.694 58.100 0.168 0.000 1.163 302 Y CB -1.023 37.530 38.460 0.155 0.000 0.988 302 Y HN -0.038 nan 8.280 nan 0.000 0.518 303 V N 0.070 120.141 119.914 0.261 0.000 2.332 303 V HA -0.260 3.860 4.120 0.000 0.000 0.248 303 V C 2.170 178.405 176.094 0.235 0.000 1.055 303 V CA 2.076 64.529 62.300 0.255 0.000 1.038 303 V CB -0.387 31.563 31.823 0.212 0.000 0.651 303 V HN 0.379 nan 8.190 nan 0.000 0.450 304 E N -0.453 119.774 120.200 0.044 0.000 2.158 304 E HA -0.099 4.251 4.350 0.000 0.000 0.191 304 E C 2.045 178.208 176.600 -0.728 0.000 0.982 304 E CA 0.693 57.006 56.400 -0.145 0.000 0.823 304 E CB -0.231 29.476 29.700 0.012 0.000 0.766 304 E HN 0.506 nan 8.360 nan 0.000 0.468 305 L N 0.392 121.075 121.223 -0.900 0.000 1.994 305 L HA -0.129 4.211 4.340 0.000 0.000 0.208 305 L C 2.275 178.993 176.870 -0.253 0.000 1.071 305 L CA 1.468 55.742 54.840 -0.945 0.000 0.745 305 L CB -0.659 41.145 42.059 -0.426 0.000 0.892 305 L HN 0.013 nan 8.230 nan 0.000 0.431 306 F N 0.644 120.521 119.950 -0.121 0.000 2.126 306 F HA -0.074 4.454 4.527 0.000 0.000 0.299 306 F C 2.179 177.995 175.800 0.026 0.000 1.096 306 F CA 1.668 59.651 58.000 -0.029 0.000 1.255 306 F CB -1.050 37.953 39.000 0.005 0.000 0.997 306 F HN 0.150 nan 8.300 nan 0.000 0.479 307 G N -0.131 108.603 108.800 -0.111 0.000 2.476 307 G HA2 -0.364 3.596 3.960 0.000 0.000 0.218 307 G HA3 -0.364 3.596 3.960 0.000 0.000 0.218 307 G C 1.725 176.475 174.900 -0.251 0.000 1.164 307 G CA 1.036 45.971 45.100 -0.276 0.000 0.768 307 G HN 0.307 nan 8.290 nan 0.000 0.560 308 R N -0.363 120.056 120.500 -0.134 0.000 2.153 308 R HA 0.139 4.480 4.340 0.000 0.000 0.218 308 R C 2.006 178.425 176.300 0.198 0.000 1.072 308 R CA 0.612 56.776 56.100 0.106 0.000 0.990 308 R CB -0.783 29.677 30.300 0.266 0.000 0.889 308 R HN 0.374 nan 8.270 nan 0.000 0.452 309 F N -0.408 119.431 119.950 -0.184 0.000 2.074 309 F HA 0.202 4.729 4.527 0.000 0.000 0.293 309 F C 1.346 176.915 175.800 -0.384 0.000 1.116 309 F CA 1.870 59.576 58.000 -0.490 0.000 1.212 309 F CB -0.327 38.172 39.000 -0.836 0.000 0.998 309 F HN 0.280 nan 8.300 nan 0.000 0.471 310 G N -0.542 107.921 108.800 -0.561 0.000 2.627 310 G HA2 -0.278 3.682 3.960 0.000 0.000 0.214 310 G HA3 -0.278 3.682 3.960 0.000 0.000 0.214 310 G C -0.143 174.507 174.900 -0.416 0.000 1.331 310 G CA -0.168 44.608 45.100 -0.540 0.000 0.891 310 G HN 0.286 nan 8.290 nan 0.000 0.539 311 F N 1.526 121.394 119.950 -0.136 0.000 2.682 311 F HA 0.481 5.008 4.527 0.000 0.000 0.308 311 F C 1.977 177.798 175.800 0.035 0.000 1.093 311 F CA 1.131 59.150 58.000 0.032 0.000 1.244 311 F CB 1.230 40.216 39.000 -0.023 0.000 1.052 311 F HN 1.594 nan 8.300 nan 0.000 0.573 312 G N -0.043 108.843 108.800 0.144 0.000 2.367 312 G HA2 -0.214 3.746 3.960 0.000 0.000 0.181 312 G HA3 -0.214 3.746 3.960 0.000 0.000 0.181 312 G C 0.720 175.706 174.900 0.144 0.000 1.000 312 G CA 0.249 45.412 45.100 0.105 0.000 0.693 312 G HN 0.257 nan 8.290 nan 0.000 0.480 313 T N -1.580 113.133 114.554 0.265 0.000 3.288 313 T HA 0.618 4.968 4.350 0.000 0.000 0.293 313 T C 1.194 176.187 174.700 0.488 0.000 1.008 313 T CA 1.097 63.465 62.100 0.445 0.000 0.929 313 T CB 0.950 70.198 68.868 0.634 0.000 1.152 313 T HN 2.251 nan 8.240 nan 0.000 0.517 314 G N 0.171 109.126 108.800 0.258 0.000 2.655 314 G HA2 0.309 4.269 3.960 0.000 0.000 0.680 314 G HA3 0.309 4.269 3.960 0.000 0.000 0.680 314 G C 0.067 175.131 174.900 0.273 0.000 1.302 314 G CA -0.510 44.700 45.100 0.183 0.000 0.872 314 G HN 1.011 nan 8.290 nan 0.000 0.540 315 G N -1.323 107.594 108.800 0.194 0.000 2.380 315 G HA2 0.480 4.441 3.960 0.000 0.000 0.242 315 G HA3 0.480 4.441 3.960 0.000 0.000 0.242 315 G C 0.367 175.582 174.900 0.525 0.000 1.298 315 G CA 0.043 45.260 45.100 0.196 0.000 0.878 315 G HN 0.668 nan 8.290 nan 0.000 0.542 316 F N 1.333 121.349 119.950 0.109 0.000 2.693 316 F HA 0.198 4.725 4.527 0.000 0.000 0.303 316 F C 2.128 177.915 175.800 -0.021 0.000 1.097 316 F CA -0.747 57.378 58.000 0.208 0.000 1.330 316 F CB 0.421 39.681 39.000 0.433 0.000 1.067 316 F HN 0.517 nan 8.300 nan 0.000 0.565 317 K N 2.580 122.853 120.400 -0.212 0.000 2.052 317 K HA -0.185 4.135 4.320 0.000 0.000 0.215 317 K C -0.883 175.571 176.600 -0.243 0.000 1.053 317 K CA 2.194 58.078 56.287 -0.673 0.000 0.934 317 K CB -1.660 30.605 32.500 -0.391 0.000 0.717 317 K HN 0.095 nan 8.250 nan 0.000 0.450 318 P HA -0.117 nan 4.420 nan 0.000 0.222 318 P C 0.628 177.964 177.300 0.061 0.000 1.147 318 P CA 1.195 64.335 63.100 0.067 0.000 0.790 318 P CB -0.004 31.796 31.700 0.168 0.000 0.780 319 L N -2.593 118.645 121.223 0.025 0.000 2.653 319 L HA 0.121 4.461 4.340 0.000 0.000 0.231 319 L C 1.899 178.880 176.870 0.185 0.000 1.153 319 L CA -0.191 54.627 54.840 -0.036 0.000 0.933 319 L CB -0.778 41.034 42.059 -0.410 0.000 1.175 319 L HN -0.143 nan 8.230 nan 0.000 0.473 320 Y N 1.132 121.486 120.300 0.090 0.000 2.483 320 Y HA -0.122 4.428 4.550 0.000 0.000 0.291 320 Y C 2.156 178.095 175.900 0.064 0.000 1.143 320 Y CA 0.467 58.637 58.100 0.118 0.000 1.289 320 Y CB -0.485 38.055 38.460 0.133 0.000 0.983 320 Y HN 0.357 nan 8.280 nan 0.000 0.556 321 N N 0.778 119.571 118.700 0.155 0.000 2.412 321 N HA 0.023 4.763 4.740 0.000 0.000 0.184 321 N C 0.824 176.338 175.510 0.006 0.000 1.101 321 N CA 0.221 53.302 53.050 0.051 0.000 0.881 321 N CB 0.027 38.511 38.487 -0.004 0.000 0.969 321 N HN 0.421 nan 8.380 nan 0.000 0.459 322 I N -0.807 119.777 120.570 0.025 0.000 2.892 322 I HA 0.064 4.234 4.170 0.000 0.000 0.287 322 I C 0.922 177.055 176.117 0.027 0.000 1.205 322 I CA -0.333 60.975 61.300 0.013 0.000 1.409 322 I CB 0.539 38.553 38.000 0.022 0.000 1.367 322 I HN -0.202 nan 8.210 nan 0.000 0.597 323 S N 3.455 119.173 115.700 0.030 0.000 2.568 323 S HA 0.032 4.502 4.470 0.000 0.000 0.282 323 S C 0.831 175.451 174.600 0.033 0.000 1.338 323 S CA -0.529 57.686 58.200 0.026 0.000 1.045 323 S CB 0.688 63.914 63.200 0.042 0.000 0.873 323 S HN 0.678 nan 8.310 nan 0.000 0.516 324 L N 6.504 127.721 121.223 -0.010 0.000 2.129 324 L HA -0.060 4.280 4.340 0.000 0.000 0.212 324 L C 2.113 179.057 176.870 0.122 0.000 1.087 324 L CA 1.782 56.613 54.840 -0.015 0.000 0.757 324 L CB -0.719 41.213 42.059 -0.211 0.000 0.896 324 L HN 0.675 nan 8.230 nan 0.000 0.434 325 V N -0.442 119.557 119.914 0.142 0.000 2.332 325 V HA -0.301 3.819 4.120 0.000 0.000 0.248 325 V C 2.616 178.854 176.094 0.241 0.000 1.055 325 V CA 1.929 64.360 62.300 0.218 0.000 1.038 325 V CB -0.661 31.169 31.823 0.011 0.000 0.651 325 V HN 0.524 nan 8.190 nan 0.000 0.450 326 E N -0.184 120.114 120.200 0.162 0.000 2.051 326 E HA -0.259 4.091 4.350 0.000 0.000 0.192 326 E C 2.043 178.718 176.600 0.125 0.000 0.991 326 E CA 1.681 58.172 56.400 0.151 0.000 0.799 326 E CB -0.363 29.407 29.700 0.117 0.000 0.748 326 E HN 0.434 nan 8.360 nan 0.000 0.449 327 M N -0.411 119.251 119.600 0.102 0.000 2.108 327 M HA -0.102 4.378 4.480 0.000 0.000 0.261 327 M C 2.051 178.384 176.300 0.056 0.000 1.066 327 M CA 1.531 56.865 55.300 0.057 0.000 1.107 327 M CB -0.300 32.333 32.600 0.054 0.000 1.356 327 M HN 0.302 nan 8.290 nan 0.000 0.406 328 M N -0.206 119.472 119.600 0.130 0.000 2.213 328 M HA -0.126 4.354 4.480 0.000 0.000 0.263 328 M C 1.913 178.273 176.300 0.100 0.000 1.062 328 M CA 1.770 57.147 55.300 0.127 0.000 1.105 328 M CB -0.353 32.347 32.600 0.168 0.000 1.385 328 M HN 0.243 nan 8.290 nan 0.000 0.417 329 R N -0.563 120.021 120.500 0.139 0.000 2.091 329 R HA -0.138 4.202 4.340 0.000 0.000 0.238 329 R C 2.098 178.446 176.300 0.080 0.000 1.136 329 R CA 1.735 57.862 56.100 0.045 0.000 0.959 329 R CB -0.721 29.618 30.300 0.065 0.000 0.856 329 R HN 0.405 nan 8.270 nan 0.000 0.437 330 L N 0.046 121.330 121.223 0.102 0.000 2.109 330 L HA -0.099 4.241 4.340 0.000 0.000 0.207 330 L C 2.317 179.322 176.870 0.224 0.000 1.086 330 L CA 0.904 55.848 54.840 0.173 0.000 0.760 330 L CB -0.336 41.697 42.059 -0.043 0.000 0.910 330 L HN 0.159 nan 8.230 nan 0.000 0.437 331 I N 0.036 120.671 120.570 0.107 0.000 2.163 331 I HA -0.331 3.839 4.170 0.000 0.000 0.243 331 I C 2.441 178.618 176.117 0.100 0.000 1.085 331 I CA 1.497 62.856 61.300 0.098 0.000 1.347 331 I CB -0.261 37.770 38.000 0.051 0.000 1.044 331 I HN 0.196 nan 8.210 nan 0.000 0.408 332 L N -0.938 120.333 121.223 0.079 0.000 2.079 332 L HA -0.237 4.103 4.340 0.000 0.000 0.210 332 L C 2.259 179.203 176.870 0.124 0.000 1.081 332 L CA 1.200 56.090 54.840 0.083 0.000 0.752 332 L CB -0.547 41.516 42.059 0.006 0.000 0.896 332 L HN 0.458 nan 8.230 nan 0.000 0.433 333 W N 0.729 121.935 121.300 -0.157 0.000 3.047 333 W HA -0.038 4.623 4.660 0.000 0.000 0.250 333 W C 0.759 177.105 176.519 -0.288 0.000 1.314 333 W CA 0.461 57.553 57.345 -0.422 0.000 1.540 333 W CB -0.259 29.026 29.460 -0.291 0.000 1.127 333 W HN 0.242 nan 8.180 nan 0.000 0.679 334 D N -0.903 119.488 120.400 -0.015 0.000 2.699 334 D HA -0.340 4.300 4.640 0.000 0.000 0.239 334 D C 0.890 177.030 176.300 -0.266 0.000 1.136 334 D CA 1.270 55.204 54.000 -0.111 0.000 0.668 334 D CB -1.606 39.106 40.800 -0.146 0.000 1.060 334 D HN 0.526 nan 8.370 nan 0.000 0.429 335 Y N -0.623 119.548 120.300 -0.216 0.000 2.315 335 Y HA -0.189 4.361 4.550 0.000 0.000 0.288 335 Y C 2.173 177.899 175.900 -0.290 0.000 1.154 335 Y CA 1.650 59.496 58.100 -0.422 0.000 1.229 335 Y CB -0.880 37.466 38.460 -0.191 0.000 0.980 335 Y HN 0.183 nan 8.280 nan 0.000 0.540 336 S N -0.199 114.731 115.700 -1.283 0.000 2.515 336 S HA -0.104 4.366 4.470 0.000 0.000 0.231 336 S C 0.794 175.156 174.600 -0.396 0.000 0.987 336 S CA 0.345 57.976 58.200 -0.949 0.000 0.936 336 S CB -0.715 62.057 63.200 -0.713 0.000 0.766 336 S HN 0.524 nan 8.310 nan 0.000 0.528 337 N N 2.612 121.113 118.700 -0.331 0.000 2.555 337 N HA 0.220 4.960 4.740 0.000 0.000 0.244 337 N C -1.020 174.395 175.510 -0.157 0.000 1.114 337 N CA -0.065 52.866 53.050 -0.199 0.000 0.963 337 N CB 0.027 38.431 38.487 -0.140 0.000 1.276 337 N HN 0.497 nan 8.380 nan 0.000 0.510 338 E N 1.655 121.747 120.200 -0.180 0.000 2.277 338 E HA 0.405 4.755 4.350 0.000 0.000 0.266 338 E C -1.038 175.472 176.600 -0.151 0.000 0.901 338 E CA -0.673 55.701 56.400 -0.044 0.000 0.782 338 E CB 1.519 31.208 29.700 -0.018 0.000 1.228 338 E HN 0.396 nan 8.360 nan 0.000 0.424 339 Y N -0.494 119.993 120.300 0.312 0.000 2.633 339 Y HA 0.370 4.920 4.550 0.000 0.000 0.339 339 Y C 0.604 176.820 175.900 0.526 0.000 1.045 339 Y CA -0.936 57.393 58.100 0.381 0.000 1.098 339 Y CB 1.814 40.473 38.460 0.332 0.000 1.296 339 Y HN 0.510 nan 8.280 nan 0.000 0.494 340 T N -0.896 114.031 114.554 0.622 0.000 2.881 340 T HA 0.665 5.015 4.350 0.000 0.000 0.278 340 T C -0.451 174.563 174.700 0.522 0.000 0.982 340 T CA -0.764 61.673 62.100 0.563 0.000 0.989 340 T CB 0.641 69.720 68.868 0.351 0.000 1.058 340 T HN 0.469 nan 8.240 nan 0.000 0.529 341 L N 1.280 122.693 121.223 0.317 0.000 2.387 341 L HA 0.456 4.796 4.340 0.000 0.000 0.266 341 L C -1.731 175.076 176.870 -0.104 0.000 1.059 341 L CA -2.722 52.134 54.840 0.027 0.000 0.801 341 L CB 1.548 43.490 42.059 -0.194 0.000 1.223 341 L HN 0.575 nan 8.230 nan 0.000 0.456 342 P HA 0.106 nan 4.420 nan 0.000 0.220 342 P C -0.946 176.072 177.300 -0.471 0.000 1.806 342 P CA 0.107 62.973 63.100 -0.389 0.000 0.976 342 P CB -0.122 31.303 31.700 -0.458 0.000 1.952 343 V N -2.349 117.412 119.914 -0.254 0.000 3.159 343 V HA 0.486 4.606 4.120 0.000 0.000 0.308 343 V C 1.003 177.069 176.094 -0.047 0.000 1.190 343 V CA -0.615 61.596 62.300 -0.149 0.000 1.037 343 V CB 1.371 33.139 31.823 -0.091 0.000 1.060 343 V HN -0.107 nan 8.190 nan 0.000 0.437 344 T N 1.534 116.077 114.554 -0.017 0.000 2.894 344 T HA 0.183 4.533 4.350 0.000 0.000 0.258 344 T C 0.163 174.870 174.700 0.011 0.000 1.043 344 T CA 1.582 63.681 62.100 -0.002 0.000 1.141 344 T CB -0.163 68.701 68.868 -0.006 0.000 0.873 344 T HN 0.863 nan 8.240 nan 0.000 0.449 345 E N 0.770 120.984 120.200 0.023 0.000 2.272 345 E HA 0.401 4.751 4.350 0.000 0.000 0.269 345 E C 0.023 176.668 176.600 0.074 0.000 0.877 345 E CA -0.573 55.848 56.400 0.036 0.000 0.755 345 E CB 1.113 30.820 29.700 0.011 0.000 1.192 345 E HN -0.154 nan 8.360 nan 0.000 0.422 346 N N 1.107 119.872 118.700 0.107 0.000 2.289 346 N HA -0.142 4.598 4.740 0.000 0.000 0.184 346 N C 1.632 177.223 175.510 0.135 0.000 1.016 346 N CA 0.545 53.689 53.050 0.157 0.000 0.872 346 N CB 0.022 38.645 38.487 0.227 0.000 0.973 346 N HN 0.302 nan 8.380 nan 0.000 0.433 347 V N 1.666 121.618 119.914 0.063 0.000 2.546 347 V HA -0.246 3.875 4.120 0.000 0.000 0.254 347 V C 1.771 177.821 176.094 -0.073 0.000 1.076 347 V CA 1.734 64.018 62.300 -0.028 0.000 1.087 347 V CB -0.282 31.526 31.823 -0.025 0.000 0.674 347 V HN 0.299 nan 8.190 nan 0.000 0.470 348 E N -0.772 119.454 120.200 0.043 0.000 2.153 348 E HA -0.226 4.124 4.350 0.000 0.000 0.194 348 E C 1.999 178.702 176.600 0.172 0.000 0.988 348 E CA 1.432 57.883 56.400 0.085 0.000 0.811 348 E CB -0.266 29.541 29.700 0.178 0.000 0.746 348 E HN 0.717 nan 8.360 nan 0.000 0.466 349 F N 1.805 121.817 119.950 0.104 0.000 2.095 349 F HA -0.229 4.298 4.527 0.000 0.000 0.298 349 F C 1.868 177.554 175.800 -0.190 0.000 1.104 349 F CA 1.193 59.199 58.000 0.010 0.000 1.232 349 F CB -0.275 38.787 39.000 0.104 0.000 0.987 349 F HN -0.063 nan 8.300 nan 0.000 0.475 350 I N 0.374 120.771 120.570 -0.288 0.000 2.286 350 I HA -0.194 3.976 4.170 0.000 0.000 0.245 350 I C 2.580 178.367 176.117 -0.550 0.000 1.104 350 I CA 1.184 62.198 61.300 -0.476 0.000 1.397 350 I CB -1.517 36.233 38.000 -0.415 0.000 1.072 350 I HN 0.175 nan 8.210 nan 0.000 0.417 351 R N 1.265 121.314 120.500 -0.751 0.000 2.081 351 R HA -0.183 4.157 4.340 0.000 0.000 0.235 351 R C 2.046 178.272 176.300 -0.123 0.000 1.131 351 R CA 1.769 57.470 56.100 -0.664 0.000 0.960 351 R CB -0.066 29.950 30.300 -0.474 0.000 0.856 351 R HN 0.292 nan 8.270 nan 0.000 0.436 352 N N 0.620 119.243 118.700 -0.128 0.000 2.166 352 N HA -0.167 4.573 4.740 0.000 0.000 0.186 352 N C 1.523 176.973 175.510 -0.101 0.000 1.019 352 N CA 0.881 53.868 53.050 -0.106 0.000 0.856 352 N CB -0.271 38.075 38.487 -0.235 0.000 0.993 352 N HN 0.154 nan 8.380 nan 0.000 0.426 353 L N -0.140 120.994 121.223 -0.148 0.000 2.056 353 L HA -0.008 4.332 4.340 0.000 0.000 0.207 353 L C 1.945 178.827 176.870 0.021 0.000 1.078 353 L CA 1.264 56.009 54.840 -0.159 0.000 0.749 353 L CB -0.775 41.078 42.059 -0.343 0.000 0.901 353 L HN 0.111 nan 8.230 nan 0.000 0.433 354 F N -0.464 119.459 119.950 -0.045 0.000 2.134 354 F HA -0.218 4.309 4.527 0.000 0.000 0.299 354 F C 2.010 177.853 175.800 0.073 0.000 1.097 354 F CA 1.764 59.809 58.000 0.075 0.000 1.264 354 F CB -0.347 38.794 39.000 0.236 0.000 1.001 354 F HN 0.037 nan 8.300 nan 0.000 0.479 355 L N 0.044 121.255 121.223 -0.022 0.000 2.056 355 L HA -0.198 4.142 4.340 0.000 0.000 0.207 355 L C 2.474 179.276 176.870 -0.113 0.000 1.078 355 L CA 1.628 56.390 54.840 -0.131 0.000 0.749 355 L CB -0.749 41.319 42.059 0.014 0.000 0.901 355 L HN 0.071 nan 8.230 nan 0.000 0.433 356 K N 0.595 120.979 120.400 -0.027 0.000 2.097 356 K HA -0.103 4.217 4.320 0.000 0.000 0.206 356 K C 2.040 178.679 176.600 0.065 0.000 1.049 356 K CA 1.359 57.674 56.287 0.047 0.000 0.933 356 K CB -0.335 32.234 32.500 0.115 0.000 0.717 356 K HN 0.229 nan 8.250 nan 0.000 0.442 357 A N 0.689 123.554 122.820 0.075 0.000 1.892 357 A HA -0.274 4.046 4.320 0.000 0.000 0.218 357 A C 2.105 179.597 177.584 -0.153 0.000 1.188 357 A CA 1.988 54.002 52.037 -0.038 0.000 0.631 357 A CB -0.654 18.339 19.000 -0.012 0.000 0.822 357 A HN 0.527 nan 8.150 nan 0.000 0.447 358 Q N -1.185 118.486 119.800 -0.214 0.000 2.119 358 Q HA -0.199 4.142 4.340 0.000 0.000 0.201 358 Q C 2.078 178.002 176.000 -0.127 0.000 0.972 358 Q CA 1.514 57.198 55.803 -0.199 0.000 0.847 358 Q CB -0.255 28.315 28.738 -0.280 0.000 0.903 358 Q HN 0.822 nan 8.270 nan 0.000 0.433 359 N N 0.242 118.880 118.700 -0.104 0.000 2.142 359 N HA -0.152 4.588 4.740 0.000 0.000 0.186 359 N C 1.778 177.245 175.510 -0.072 0.000 1.023 359 N CA 1.468 54.477 53.050 -0.068 0.000 0.852 359 N CB 0.066 38.529 38.487 -0.040 0.000 0.998 359 N HN 0.171 nan 8.380 nan 0.000 0.424 360 V N -1.969 117.886 119.914 -0.098 0.000 2.626 360 V HA 0.148 4.268 4.120 0.000 0.000 0.252 360 V C 2.158 178.172 176.094 -0.133 0.000 1.067 360 V CA 1.784 64.005 62.300 -0.131 0.000 1.081 360 V CB -1.462 30.220 31.823 -0.234 0.000 0.686 360 V HN 0.283 nan 8.190 nan 0.000 0.468 361 G N -0.024 108.698 108.800 -0.130 0.000 2.498 361 G HA2 0.120 4.080 3.960 0.000 0.000 0.219 361 G HA3 0.120 4.080 3.960 0.000 0.000 0.219 361 G C 1.227 176.086 174.900 -0.069 0.000 1.119 361 G CA 0.774 45.813 45.100 -0.102 0.000 0.766 361 G HN 1.854 nan 8.290 nan 0.000 0.552 362 A N -1.724 121.058 122.820 -0.062 0.000 2.872 362 A HA 0.195 4.515 4.320 0.000 0.000 0.273 362 A C 2.123 179.688 177.584 -0.031 0.000 1.442 362 A CA 1.626 53.637 52.037 -0.042 0.000 0.801 362 A CB -1.651 17.325 19.000 -0.039 0.000 1.031 362 A HN 2.351 nan 8.150 nan 0.000 0.582 363 G N -1.632 107.148 108.800 -0.033 0.000 2.212 363 G HA2 -0.368 3.592 3.960 0.000 0.000 0.266 363 G HA3 -0.368 3.592 3.960 0.000 0.000 0.266 363 G C 0.814 175.706 174.900 -0.013 0.000 0.978 363 G CA 1.208 46.295 45.100 -0.022 0.000 0.632 363 G HN 1.021 nan 8.290 nan 0.000 0.537 364 K N -0.863 119.528 120.400 -0.015 0.000 2.365 364 K HA 0.255 4.575 4.320 0.000 0.000 0.197 364 K C 0.720 177.323 176.600 0.005 0.000 1.042 364 K CA 0.274 56.561 56.287 -0.000 0.000 0.987 364 K CB 0.361 32.860 32.500 -0.002 0.000 0.779 364 K HN 0.413 nan 8.250 nan 0.000 0.484 365 L N 1.390 122.604 121.223 -0.015 0.000 2.287 365 L HA 0.272 4.612 4.340 0.000 0.000 0.287 365 L C -0.955 175.909 176.870 -0.010 0.000 1.022 365 L CA -0.564 54.269 54.840 -0.013 0.000 0.814 365 L CB 1.612 43.643 42.059 -0.046 0.000 1.217 365 L HN -0.302 nan 8.230 nan 0.000 0.420 366 V N 5.716 125.638 119.914 0.014 0.000 2.555 366 V HA 0.633 4.753 4.120 0.000 0.000 0.302 366 V C -0.571 175.541 176.094 0.031 0.000 1.038 366 V CA -0.665 61.645 62.300 0.016 0.000 0.887 366 V CB 2.002 33.841 31.823 0.026 0.000 0.991 366 V HN 0.523 nan 8.190 nan 0.000 0.434 367 V N 4.650 124.582 119.914 0.030 0.000 2.531 367 V HA 0.533 4.653 4.120 0.000 0.000 0.301 367 V C -0.531 175.607 176.094 0.074 0.000 1.034 367 V CA -0.620 61.718 62.300 0.063 0.000 0.865 367 V CB 1.744 33.614 31.823 0.078 0.000 0.995 367 V HN 0.921 nan 8.190 nan 0.000 0.424 368 Q N 2.546 122.384 119.800 0.064 0.000 2.353 368 Q HA 0.678 5.018 4.340 0.000 0.000 0.268 368 Q C -1.342 174.661 176.000 0.005 0.000 1.045 368 Q CA -0.739 55.086 55.803 0.036 0.000 0.811 368 Q CB 3.091 31.835 28.738 0.011 0.000 1.305 368 Q HN 0.593 nan 8.270 nan 0.000 0.447 369 V N 2.884 122.795 119.914 -0.006 0.000 2.427 369 V HA 0.426 4.546 4.120 0.000 0.000 0.286 369 V C -0.236 175.820 176.094 -0.065 0.000 1.034 369 V CA -0.567 61.706 62.300 -0.045 0.000 0.893 369 V CB 1.299 33.086 31.823 -0.061 0.000 0.982 369 V HN 0.633 nan 8.190 nan 0.000 0.452 370 R N 3.382 123.804 120.500 -0.129 0.000 2.343 370 R HA 0.382 4.722 4.340 0.000 0.000 0.320 370 R C -0.332 175.944 176.300 -0.039 0.000 0.956 370 R CA -0.501 55.487 56.100 -0.186 0.000 0.836 370 R CB 1.683 31.677 30.300 -0.510 0.000 1.151 370 R HN 0.706 nan 8.270 nan 0.000 0.450 371 Q N 3.260 123.021 119.800 -0.065 0.000 2.844 371 Q HA 0.079 4.419 4.340 0.000 0.000 0.235 371 Q C -0.997 174.980 176.000 -0.039 0.000 1.336 371 Q CA 0.301 56.022 55.803 -0.138 0.000 1.026 371 Q CB 0.349 28.790 28.738 -0.495 0.000 1.513 371 Q HN 0.509 nan 8.270 nan 0.000 0.577 372 E N 1.624 121.865 120.200 0.068 0.000 2.356 372 E HA 0.318 4.668 4.350 0.000 0.000 0.275 372 E C -1.373 175.362 176.600 0.226 0.000 0.904 372 E CA -0.929 55.558 56.400 0.146 0.000 0.757 372 E CB 2.058 31.849 29.700 0.151 0.000 1.232 372 E HN 0.266 nan 8.360 nan 0.000 0.442 373 R N 2.244 122.874 120.500 0.218 0.000 2.207 373 R HA 0.302 4.642 4.340 0.000 0.000 0.334 373 R C -0.827 175.579 176.300 0.177 0.000 1.013 373 R CA -0.418 55.799 56.100 0.196 0.000 0.858 373 R CB 0.752 31.164 30.300 0.188 0.000 1.094 373 R HN 0.270 nan 8.270 nan 0.000 0.457 374 V N 4.829 124.794 119.914 0.084 0.000 2.572 374 V HA 0.093 4.213 4.120 0.000 0.000 0.291 374 V C 1.007 177.126 176.094 0.041 0.000 1.039 374 V CA 0.673 62.955 62.300 -0.030 0.000 1.055 374 V CB 1.101 32.805 31.823 -0.199 0.000 0.969 374 V HN 1.039 nan 8.190 nan 0.000 0.482 375 A N 4.516 127.368 122.820 0.054 0.000 2.055 375 A HA 0.345 4.665 4.320 0.000 0.000 0.205 375 A C 0.672 178.279 177.584 0.038 0.000 1.235 375 A CA 0.218 52.322 52.037 0.111 0.000 0.822 375 A CB 0.073 19.241 19.000 0.280 0.000 0.903 375 A HN 0.792 nan 8.150 nan 0.000 0.473 376 N N -2.046 116.643 118.700 -0.017 0.000 2.331 376 N HA 0.627 5.367 4.740 0.000 0.000 0.280 376 N C -1.059 174.375 175.510 -0.127 0.000 1.155 376 N CA 0.151 53.163 53.050 -0.062 0.000 0.822 376 N CB 2.065 40.538 38.487 -0.024 0.000 1.619 376 N HN 0.333 nan 8.380 nan 0.000 0.476 377 A N 0.322 123.016 122.820 -0.210 0.000 2.401 377 A HA 0.913 5.233 4.320 0.000 0.000 0.310 377 A C -0.595 176.738 177.584 -0.418 0.000 1.075 377 A CA -0.652 51.208 52.037 -0.294 0.000 0.746 377 A CB 0.410 19.148 19.000 -0.436 0.000 1.277 377 A HN 1.078 nan 8.150 nan 0.000 0.425 378 C N 0.021 119.090 119.300 -0.385 0.000 3.306 378 C HA 0.735 5.195 4.460 0.000 0.000 0.335 378 C C -0.979 173.918 174.990 -0.155 0.000 1.382 378 C CA -0.905 57.907 59.018 -0.342 0.000 1.254 378 C CB 0.561 28.110 27.740 -0.319 0.000 1.555 378 C HN 0.934 nan 8.230 nan 0.000 0.463 379 H N 1.306 120.423 119.070 0.077 0.000 2.473 379 H HA 0.759 5.315 4.556 0.000 0.000 0.327 379 H C 0.194 175.593 175.328 0.118 0.000 1.105 379 H CA 0.845 56.996 56.048 0.171 0.000 1.280 379 H CB 1.945 31.829 29.762 0.203 0.000 1.450 379 H HN 1.060 nan 8.280 nan 0.000 0.492 380 S N 1.448 117.285 115.700 0.228 0.000 2.588 380 S HA 0.622 5.092 4.470 0.000 0.000 0.269 380 S C 0.100 174.821 174.600 0.201 0.000 1.157 380 S CA 0.033 58.358 58.200 0.209 0.000 0.824 380 S CB 2.073 65.382 63.200 0.182 0.000 1.126 380 S HN 1.132 nan 8.310 nan 0.000 0.464 381 G N 0.974 109.888 108.800 0.191 0.000 2.693 381 G HA2 0.001 3.961 3.960 0.000 0.000 0.226 381 G HA3 0.001 3.961 3.960 0.000 0.000 0.226 381 G C 0.318 175.296 174.900 0.130 0.000 1.354 381 G CA 0.713 45.903 45.100 0.150 0.000 0.873 381 G HN 2.278 nan 8.290 nan 0.000 0.562 382 T N -2.356 112.254 114.554 0.093 0.000 3.170 382 T HA 0.744 5.094 4.350 0.000 0.000 0.288 382 T C 0.878 175.606 174.700 0.047 0.000 0.992 382 T CA 1.331 63.474 62.100 0.071 0.000 0.909 382 T CB 0.392 69.299 68.868 0.064 0.000 1.133 382 T HN 2.132 nan 8.240 nan 0.000 0.530 383 A N 1.074 123.920 122.820 0.044 0.000 2.272 383 A HA 0.731 5.051 4.320 0.000 0.000 0.275 383 A C 1.808 179.395 177.584 0.005 0.000 1.096 383 A CA 0.102 52.150 52.037 0.018 0.000 0.822 383 A CB 0.472 19.480 19.000 0.012 0.000 1.088 383 A HN 0.221 nan 8.150 nan 0.000 0.495 384 S N -0.199 115.491 115.700 -0.018 0.000 2.359 384 S HA -0.074 4.396 4.470 0.000 0.000 0.224 384 S C 1.133 175.694 174.600 -0.064 0.000 1.035 384 S CA 1.475 59.651 58.200 -0.041 0.000 1.018 384 S CB -0.503 62.664 63.200 -0.055 0.000 0.876 384 S HN 1.469 nan 8.310 nan 0.000 0.448 385 A N 1.218 123.999 122.820 -0.064 0.000 2.666 385 A HA 0.498 4.818 4.320 0.000 0.000 0.312 385 A C 0.856 178.423 177.584 -0.029 0.000 1.471 385 A CA -0.572 51.416 52.037 -0.081 0.000 1.134 385 A CB -0.044 18.898 19.000 -0.098 0.000 1.129 385 A HN 0.598 nan 8.150 nan 0.000 0.539 386 R N 2.012 122.510 120.500 -0.005 0.000 2.334 386 R HA 0.212 4.552 4.340 0.000 0.000 0.212 386 R C 0.603 176.961 176.300 0.097 0.000 0.897 386 R CA 0.544 56.690 56.100 0.077 0.000 1.056 386 R CB 0.555 30.931 30.300 0.126 0.000 1.046 386 R HN 0.623 nan 8.270 nan 0.000 0.513 387 A N 2.362 125.186 122.820 0.007 0.000 2.310 387 A HA 0.192 4.512 4.320 0.000 0.000 0.300 387 A C -0.222 177.415 177.584 0.088 0.000 1.269 387 A CA -0.358 51.631 52.037 -0.080 0.000 0.909 387 A CB 0.356 19.065 19.000 -0.485 0.000 1.144 387 A HN 0.012 nan 8.150 nan 0.000 0.540 388 Q N 1.851 121.725 119.800 0.123 0.000 2.230 388 Q HA 0.595 4.936 4.340 0.000 0.000 0.253 388 Q C -1.027 175.030 176.000 0.095 0.000 0.919 388 Q CA -0.151 55.686 55.803 0.058 0.000 0.908 388 Q CB 2.112 30.723 28.738 -0.212 0.000 1.245 388 Q HN 0.700 nan 8.270 nan 0.000 0.437 389 L N 2.784 124.094 121.223 0.144 0.000 2.381 389 L HA 0.441 4.782 4.340 0.000 0.000 0.274 389 L C -0.920 175.984 176.870 0.057 0.000 0.988 389 L CA -0.976 53.894 54.840 0.050 0.000 0.824 389 L CB 1.817 43.858 42.059 -0.030 0.000 1.263 389 L HN 0.328 nan 8.230 nan 0.000 0.410 390 L N 3.448 124.671 121.223 -0.001 0.000 2.296 390 L HA 0.683 5.023 4.340 0.000 0.000 0.286 390 L C -0.027 176.779 176.870 -0.108 0.000 1.023 390 L CA 0.307 55.136 54.840 -0.018 0.000 0.812 390 L CB 1.597 43.684 42.059 0.046 0.000 1.223 390 L HN 0.742 nan 8.230 nan 0.000 0.421 391 S N 2.809 118.427 115.700 -0.137 0.000 2.661 391 S HA 0.756 5.226 4.470 0.000 0.000 0.285 391 S C -1.328 173.107 174.600 -0.275 0.000 1.138 391 S CA -0.714 57.438 58.200 -0.081 0.000 0.855 391 S CB 1.430 64.761 63.200 0.220 0.000 1.136 391 S HN 0.351 nan 8.310 nan 0.000 0.484 392 Y N 0.858 121.288 120.300 0.217 0.000 2.425 392 Y HA 0.495 5.045 4.550 0.000 0.000 0.344 392 Y C -0.002 176.023 175.900 0.208 0.000 0.969 392 Y CA -0.805 57.427 58.100 0.219 0.000 1.052 392 Y CB 1.471 40.011 38.460 0.134 0.000 1.215 392 Y HN 0.919 nan 8.280 nan 0.000 0.451 393 D N -0.950 119.688 120.400 0.396 0.000 2.506 393 D HA 0.154 4.794 4.640 0.000 0.000 0.272 393 D C 1.043 177.465 176.300 0.204 0.000 1.214 393 D CA -0.318 53.833 54.000 0.252 0.000 1.067 393 D CB 0.438 41.407 40.800 0.281 0.000 1.117 393 D HN 0.369 nan 8.370 nan 0.000 0.578 394 S N -1.830 113.949 115.700 0.132 0.000 2.555 394 S HA -0.145 4.325 4.470 0.000 0.000 0.230 394 S C 0.803 175.357 174.600 -0.077 0.000 0.978 394 S CA 0.548 58.758 58.200 0.017 0.000 0.934 394 S CB -0.754 62.413 63.200 -0.056 0.000 0.766 394 S HN 0.532 nan 8.310 nan 0.000 0.533 395 H N 1.550 120.663 119.070 0.073 0.000 2.529 395 H HA 0.408 4.964 4.556 0.000 0.000 0.277 395 H C 0.370 175.742 175.328 0.074 0.000 1.004 395 H CA -0.093 55.992 56.048 0.062 0.000 1.167 395 H CB -0.011 29.788 29.762 0.060 0.000 1.445 395 H HN 0.229 nan 8.280 nan 0.000 0.554 396 N N -0.497 118.314 118.700 0.186 0.000 2.782 396 N HA -0.159 4.581 4.740 0.000 0.000 0.251 396 N C -0.292 175.369 175.510 0.251 0.000 1.101 396 N CA 0.765 53.911 53.050 0.160 0.000 0.764 396 N CB -1.341 37.161 38.487 0.024 0.000 1.122 396 N HN 0.478 nan 8.380 nan 0.000 0.561 397 A N -0.126 122.859 122.820 0.275 0.000 2.354 397 A HA 0.559 4.879 4.320 0.000 0.000 0.269 397 A C 0.668 178.364 177.584 0.187 0.000 1.109 397 A CA -0.234 51.913 52.037 0.184 0.000 0.800 397 A CB 1.139 20.182 19.000 0.072 0.000 1.045 397 A HN 0.143 nan 8.150 nan 0.000 0.489 398 V N 2.873 122.819 119.914 0.054 0.000 2.732 398 V HA 0.434 4.554 4.120 0.000 0.000 0.297 398 V C -0.501 175.347 176.094 -0.410 0.000 1.060 398 V CA 0.128 62.337 62.300 -0.151 0.000 1.038 398 V CB 0.675 32.461 31.823 -0.062 0.000 1.003 398 V HN 0.993 nan 8.190 nan 0.000 0.481 399 H N 2.801 121.803 119.070 -0.113 0.000 2.771 399 H HA 0.583 5.139 4.556 0.000 0.000 0.361 399 H C -0.726 174.555 175.328 -0.078 0.000 1.108 399 H CA -0.317 55.703 56.048 -0.046 0.000 1.201 399 H CB 1.922 31.698 29.762 0.024 0.000 1.681 399 H HN 0.624 nan 8.280 nan 0.000 0.534 400 S N 2.223 117.925 115.700 0.003 0.000 2.502 400 S HA 0.504 4.974 4.470 0.000 0.000 0.304 400 S C -1.187 173.417 174.600 0.006 0.000 1.097 400 S CA -0.691 57.452 58.200 -0.095 0.000 1.045 400 S CB 0.583 63.442 63.200 -0.568 0.000 1.019 400 S HN 0.560 nan 8.310 nan 0.000 0.481 401 E N 1.693 121.934 120.200 0.067 0.000 2.331 401 E HA 0.560 4.910 4.350 0.000 0.000 0.275 401 E C -1.130 175.391 176.600 -0.132 0.000 0.895 401 E CA -0.741 55.641 56.400 -0.030 0.000 0.753 401 E CB 2.049 31.790 29.700 0.069 0.000 1.216 401 E HN 0.637 nan 8.360 nan 0.000 0.434 402 A N 2.501 125.113 122.820 -0.347 0.000 2.324 402 A HA 0.777 5.097 4.320 0.000 0.000 0.330 402 A C -1.409 175.790 177.584 -0.642 0.000 1.165 402 A CA -0.392 51.468 52.037 -0.295 0.000 0.813 402 A CB 0.565 19.493 19.000 -0.119 0.000 1.197 402 A HN 0.515 nan 8.150 nan 0.000 0.484 403 Y N -0.122 120.155 120.300 -0.038 0.000 2.576 403 Y HA 0.320 4.870 4.550 0.000 0.000 0.346 403 Y C 0.663 176.457 175.900 -0.176 0.000 1.018 403 Y CA -0.828 57.229 58.100 -0.071 0.000 1.050 403 Y CB 1.760 40.186 38.460 -0.056 0.000 1.280 403 Y HN 0.707 nan 8.280 nan 0.000 0.474 404 D N 0.753 121.116 120.400 -0.062 0.000 2.123 404 D HA -0.026 4.614 4.640 0.000 0.000 0.200 404 D C -0.444 175.335 176.300 -0.869 0.000 0.976 404 D CA 1.874 55.606 54.000 -0.446 0.000 0.831 404 D CB 0.184 40.753 40.800 -0.384 0.000 0.974 404 D HN 0.192 nan 8.370 nan 0.000 0.469 405 F N -0.824 119.195 119.950 0.116 0.000 2.613 405 F HA 0.437 4.964 4.527 0.000 0.000 0.310 405 F C -0.322 175.430 175.800 -0.081 0.000 1.085 405 F CA -1.102 56.922 58.000 0.040 0.000 0.945 405 F CB 2.000 41.081 39.000 0.135 0.000 1.298 405 F HN -0.444 nan 8.300 nan 0.000 0.455 406 V N 3.189 123.087 119.914 -0.027 0.000 2.760 406 V HA 0.505 4.625 4.120 0.000 0.000 0.309 406 V C -0.612 175.569 176.094 0.146 0.000 1.077 406 V CA -0.769 61.469 62.300 -0.103 0.000 0.910 406 V CB 2.473 34.086 31.823 -0.350 0.000 1.008 406 V HN 0.573 nan 8.190 nan 0.000 0.424 407 I N 4.969 125.628 120.570 0.148 0.000 2.355 407 I HA 0.397 4.567 4.170 0.000 0.000 0.288 407 I C -0.621 175.596 176.117 0.166 0.000 0.999 407 I CA -0.380 61.048 61.300 0.212 0.000 1.163 407 I CB 1.434 39.536 38.000 0.170 0.000 1.316 407 I HN 0.366 nan 8.210 nan 0.000 0.454 408 L N 6.837 128.180 121.223 0.200 0.000 2.302 408 L HA 0.426 4.766 4.340 0.000 0.000 0.285 408 L C 0.718 177.696 176.870 0.181 0.000 1.090 408 L CA -0.154 54.776 54.840 0.149 0.000 0.866 408 L CB 0.795 42.921 42.059 0.112 0.000 1.244 408 L HN 0.695 nan 8.230 nan 0.000 0.435 409 A N 4.478 127.393 122.820 0.159 0.000 3.290 409 A HA 0.552 4.872 4.320 0.000 0.000 0.297 409 A C -0.130 177.537 177.584 0.139 0.000 1.285 409 A CA -0.375 51.762 52.037 0.167 0.000 1.060 409 A CB 0.033 19.113 19.000 0.133 0.000 1.114 409 A HN 0.436 nan 8.150 nan 0.000 0.601 410 V N -2.584 117.436 119.914 0.175 0.000 2.876 410 V HA 0.800 4.920 4.120 0.000 0.000 0.312 410 V C -3.046 173.134 176.094 0.143 0.000 1.085 410 V CA -2.438 59.938 62.300 0.125 0.000 0.945 410 V CB 2.265 34.150 31.823 0.103 0.000 1.017 410 V HN 0.259 nan 8.190 nan 0.000 0.428 411 P HA 0.261 nan 4.420 nan 0.000 0.275 411 P C 0.378 177.696 177.300 0.030 0.000 1.266 411 P CA 0.354 63.415 63.100 -0.066 0.000 0.793 411 P CB 0.469 32.089 31.700 -0.134 0.000 1.074 412 H N -1.428 117.660 119.070 0.029 0.000 2.353 412 H HA -0.096 4.460 4.556 0.000 0.000 0.300 412 H C 1.100 176.490 175.328 0.102 0.000 1.090 412 H CA 1.691 57.831 56.048 0.153 0.000 1.327 412 H CB -0.920 28.927 29.762 0.142 0.000 1.383 412 H HN 0.261 nan 8.280 nan 0.000 0.508 413 D N 0.672 120.965 120.400 -0.178 0.000 2.219 413 D HA -0.120 4.520 4.640 0.000 0.000 0.205 413 D C 1.979 178.283 176.300 0.006 0.000 0.970 413 D CA 1.014 54.987 54.000 -0.044 0.000 0.851 413 D CB -0.100 40.632 40.800 -0.114 0.000 0.943 413 D HN 0.639 nan 8.370 nan 0.000 0.488 414 Q N -0.125 119.676 119.800 0.002 0.000 2.230 414 Q HA -0.060 4.280 4.340 0.000 0.000 0.202 414 Q C 2.074 178.108 176.000 0.057 0.000 0.963 414 Q CA 0.335 56.160 55.803 0.038 0.000 0.866 414 Q CB 0.122 28.887 28.738 0.044 0.000 0.931 414 Q HN 0.153 nan 8.270 nan 0.000 0.452 415 L N 0.209 121.484 121.223 0.087 0.000 2.131 415 L HA -0.076 4.264 4.340 0.000 0.000 0.206 415 L C 2.060 178.953 176.870 0.038 0.000 1.087 415 L CA 1.687 56.573 54.840 0.077 0.000 0.767 415 L CB -0.645 41.498 42.059 0.141 0.000 0.917 415 L HN 0.052 nan 8.230 nan 0.000 0.441 416 T N 1.405 115.997 114.554 0.064 0.000 2.620 416 T HA -0.147 4.203 4.350 0.000 0.000 0.267 416 T C -0.652 174.058 174.700 0.017 0.000 1.044 416 T CA 2.285 64.414 62.100 0.048 0.000 1.161 416 T CB -1.259 67.655 68.868 0.076 0.000 0.862 416 T HN 0.383 nan 8.240 nan 0.000 0.438 417 P HA 0.079 nan 4.420 nan 0.000 0.221 417 P C 1.458 178.749 177.300 -0.015 0.000 1.150 417 P CA 0.930 64.036 63.100 0.010 0.000 0.800 417 P CB -0.274 31.442 31.700 0.027 0.000 0.787 418 I N -0.298 120.254 120.570 -0.030 0.000 2.439 418 I HA -0.127 4.043 4.170 0.000 0.000 0.251 418 I C 2.211 178.246 176.117 -0.136 0.000 1.139 418 I CA 1.256 62.513 61.300 -0.071 0.000 1.438 418 I CB -0.299 37.660 38.000 -0.067 0.000 1.085 418 I HN -0.107 nan 8.210 nan 0.000 0.427 419 V N -3.519 116.317 119.914 -0.129 0.000 3.645 419 V HA 0.191 4.311 4.120 0.000 0.000 0.275 419 V C 1.679 177.681 176.094 -0.154 0.000 1.356 419 V CA 0.724 62.915 62.300 -0.182 0.000 1.051 419 V CB 0.225 31.932 31.823 -0.192 0.000 0.828 419 V HN 0.357 nan 8.190 nan 0.000 0.441 420 S N 0.004 115.643 115.700 -0.103 0.000 2.539 420 S HA 0.294 4.764 4.470 0.000 0.000 0.221 420 S C 1.541 176.059 174.600 -0.137 0.000 0.987 420 S CA -0.220 57.933 58.200 -0.078 0.000 0.929 420 S CB -0.138 63.076 63.200 0.023 0.000 0.832 420 S HN 0.602 nan 8.310 nan 0.000 0.492 421 R N 0.611 121.025 120.500 -0.143 0.000 2.432 421 R HA 0.380 4.720 4.340 0.000 0.000 0.260 421 R C 0.482 176.685 176.300 -0.162 0.000 0.935 421 R CA 0.127 56.157 56.100 -0.117 0.000 1.080 421 R CB 0.264 30.532 30.300 -0.053 0.000 1.155 421 R HN 0.254 nan 8.270 nan 0.000 0.531 422 S N 0.440 115.992 115.700 -0.247 0.000 2.568 422 S HA 0.232 4.702 4.470 0.000 0.000 0.232 422 S C 0.662 175.050 174.600 -0.354 0.000 0.975 422 S CA 0.304 58.355 58.200 -0.247 0.000 0.949 422 S CB 0.917 63.981 63.200 -0.227 0.000 0.829 422 S HN 0.659 nan 8.310 nan 0.000 0.479 423 G N 1.577 110.054 108.800 -0.538 0.000 2.645 423 G HA2 -0.259 3.701 3.960 0.000 0.000 0.246 423 G HA3 -0.259 3.701 3.960 0.000 0.000 0.246 423 G C -0.220 174.053 174.900 -1.044 0.000 1.322 423 G CA 0.102 44.754 45.100 -0.747 0.000 0.898 423 G HN 0.417 nan 8.290 nan 0.000 0.573 424 F N 1.775 121.721 119.950 -0.006 0.000 2.817 424 F HA 0.425 4.952 4.527 0.000 0.000 0.319 424 F C 0.829 176.650 175.800 0.036 0.000 1.136 424 F CA 0.528 58.535 58.000 0.013 0.000 1.177 424 F CB 0.662 39.669 39.000 0.012 0.000 1.088 424 F HN 0.897 nan 8.300 nan 0.000 0.520 425 E N -1.912 118.347 120.200 0.098 0.000 2.442 425 E HA 0.164 4.514 4.350 0.000 0.000 0.278 425 E C -1.006 175.561 176.600 -0.055 0.000 1.082 425 E CA -0.960 55.500 56.400 0.100 0.000 0.861 425 E CB 1.043 30.812 29.700 0.114 0.000 1.462 425 E HN 0.030 nan 8.360 nan 0.000 0.458 426 H N 0.448 119.370 119.070 -0.246 0.000 3.038 426 H HA 0.287 4.843 4.556 0.000 0.000 0.338 426 H C -1.350 173.789 175.328 -0.315 0.000 1.041 426 H CA 1.231 56.919 56.048 -0.599 0.000 1.394 426 H CB 0.740 30.198 29.762 -0.508 0.000 1.357 426 H HN 0.589 nan 8.280 nan 0.000 0.600 427 A N 3.701 125.958 122.820 -0.938 0.000 2.393 427 A HA 0.563 4.883 4.320 0.000 0.000 0.306 427 A C 0.812 177.938 177.584 -0.763 0.000 1.050 427 A CA -0.110 51.568 52.037 -0.599 0.000 0.724 427 A CB 1.215 20.032 19.000 -0.306 0.000 1.248 427 A HN 0.880 nan 8.150 nan 0.000 0.424 428 A N 1.577 124.212 122.820 -0.309 0.000 1.908 428 A HA 0.259 4.579 4.320 0.000 0.000 0.218 428 A C 1.232 178.749 177.584 -0.112 0.000 1.181 428 A CA 2.183 54.154 52.037 -0.109 0.000 0.627 428 A CB -0.526 18.489 19.000 0.024 0.000 0.818 428 A HN 2.216 nan 8.150 nan 0.000 0.445 429 S N -2.642 112.997 115.700 -0.102 0.000 2.547 429 S HA 0.647 5.117 4.470 0.000 0.000 0.270 429 S C -1.293 173.281 174.600 -0.043 0.000 1.150 429 S CA -0.904 57.265 58.200 -0.051 0.000 0.850 429 S CB 1.403 64.586 63.200 -0.028 0.000 1.118 429 S HN 0.385 nan 8.310 nan 0.000 0.461 430 Q N 0.740 120.544 119.800 0.006 0.000 2.315 430 Q HA 0.467 4.807 4.340 0.000 0.000 0.273 430 Q C -1.601 174.440 176.000 0.069 0.000 1.053 430 Q CA -0.880 54.938 55.803 0.025 0.000 0.817 430 Q CB 1.979 30.729 28.738 0.020 0.000 1.326 430 Q HN 0.663 nan 8.270 nan 0.000 0.423 431 N N 2.920 121.643 118.700 0.040 0.000 2.645 431 N HA 0.305 5.045 4.740 0.000 0.000 0.233 431 N C -0.918 174.647 175.510 0.090 0.000 1.058 431 N CA 0.018 53.092 53.050 0.040 0.000 0.942 431 N CB 0.572 39.062 38.487 0.005 0.000 1.210 431 N HN 0.412 nan 8.380 nan 0.000 0.512 432 L N 0.689 122.018 121.223 0.177 0.000 2.379 432 L HA 0.763 5.103 4.340 0.000 0.000 0.269 432 L C 1.188 178.171 176.870 0.189 0.000 1.084 432 L CA -0.405 54.548 54.840 0.188 0.000 0.802 432 L CB 1.281 43.499 42.059 0.264 0.000 1.175 432 L HN 0.564 nan 8.230 nan 0.000 0.448 433 G N 1.085 109.987 108.800 0.170 0.000 2.325 433 G HA2 -0.083 3.877 3.960 0.000 0.000 0.285 433 G HA3 -0.083 3.877 3.960 0.000 0.000 0.285 433 G C -1.504 173.527 174.900 0.218 0.000 1.303 433 G CA -0.810 44.436 45.100 0.243 0.000 0.970 433 G HN 0.460 nan 8.290 nan 0.000 0.490 434 D N 1.371 121.937 120.400 0.276 0.000 2.896 434 D HA 0.492 5.132 4.640 0.000 0.000 0.240 434 D C 1.581 177.900 176.300 0.032 0.000 1.193 434 D CA 0.617 54.675 54.000 0.097 0.000 0.983 434 D CB 0.594 41.389 40.800 -0.009 0.000 1.074 434 D HN 0.742 nan 8.370 nan 0.000 0.496 435 A N 0.603 123.456 122.820 0.055 0.000 1.972 435 A HA -0.064 4.256 4.320 0.000 0.000 0.219 435 A C 2.227 179.815 177.584 0.006 0.000 1.169 435 A CA 1.594 53.651 52.037 0.032 0.000 0.635 435 A CB -0.434 18.587 19.000 0.036 0.000 0.810 435 A HN 0.443 nan 8.150 nan 0.000 0.446 436 G N -0.301 108.502 108.800 0.004 0.000 2.448 436 G HA2 -0.089 3.871 3.960 0.000 0.000 0.219 436 G HA3 -0.089 3.871 3.960 0.000 0.000 0.219 436 G C 1.333 176.221 174.900 -0.019 0.000 1.127 436 G CA 0.884 45.981 45.100 -0.005 0.000 0.766 436 G HN 0.468 nan 8.290 nan 0.000 0.552 437 L N 0.250 121.450 121.223 -0.037 0.000 2.599 437 L HA 0.225 4.565 4.340 0.000 0.000 0.230 437 L C 2.033 178.865 176.870 -0.064 0.000 1.141 437 L CA 0.436 55.239 54.840 -0.061 0.000 0.877 437 L CB -0.199 41.797 42.059 -0.106 0.000 1.009 437 L HN 0.362 nan 8.230 nan 0.000 0.447 438 G N 0.632 109.405 108.800 -0.045 0.000 2.136 438 G HA2 -0.262 3.698 3.960 0.000 0.000 0.242 438 G HA3 -0.262 3.698 3.960 0.000 0.000 0.242 438 G C 0.148 175.021 174.900 -0.045 0.000 0.989 438 G CA -0.091 44.987 45.100 -0.035 0.000 0.682 438 G HN 0.238 nan 8.290 nan 0.000 0.522 439 L N 0.017 121.192 121.223 -0.080 0.000 2.399 439 L HA 0.527 4.867 4.340 0.000 0.000 0.265 439 L C 0.989 177.899 176.870 0.066 0.000 1.089 439 L CA -0.883 53.899 54.840 -0.096 0.000 0.802 439 L CB 1.084 42.865 42.059 -0.463 0.000 1.180 439 L HN 0.298 nan 8.230 nan 0.000 0.454 440 E N 0.877 121.177 120.200 0.167 0.000 2.392 440 E HA 0.096 4.446 4.350 0.000 0.000 0.264 440 E C -0.560 176.175 176.600 0.225 0.000 1.024 440 E CA -0.378 56.123 56.400 0.167 0.000 0.903 440 E CB 0.900 30.686 29.700 0.143 0.000 0.963 440 E HN 0.641 nan 8.360 nan 0.000 0.432 441 T N 1.394 116.027 114.554 0.133 0.000 2.936 441 T HA 0.356 4.706 4.350 0.000 0.000 0.282 441 T C -0.638 174.112 174.700 0.082 0.000 1.003 441 T CA -0.733 61.442 62.100 0.125 0.000 1.005 441 T CB 1.237 70.156 68.868 0.086 0.000 1.097 441 T HN 0.615 nan 8.240 nan 0.000 0.532 442 H N -0.886 118.145 119.070 -0.064 0.000 2.679 442 H HA 0.478 5.035 4.556 0.000 0.000 0.360 442 H C -0.864 174.285 175.328 -0.298 0.000 1.105 442 H CA -0.462 55.453 56.048 -0.222 0.000 1.196 442 H CB 1.665 31.224 29.762 -0.340 0.000 1.636 442 H HN 0.724 nan 8.280 nan 0.000 0.531 443 T N 5.269 119.447 114.554 -0.626 0.000 2.749 443 T HA 0.166 4.516 4.350 0.000 0.000 0.295 443 T C -0.902 173.533 174.700 -0.441 0.000 0.936 443 T CA -0.012 61.855 62.100 -0.388 0.000 1.060 443 T CB -0.318 68.381 68.868 -0.281 0.000 0.904 443 T HN 0.314 nan 8.240 nan 0.000 0.500 444 Y N 2.539 122.859 120.300 0.033 0.000 2.387 444 Y HA 0.451 5.001 4.550 0.000 0.000 0.336 444 Y C 0.783 176.685 175.900 0.002 0.000 1.067 444 Y CA -1.135 57.008 58.100 0.072 0.000 1.114 444 Y CB 1.309 39.827 38.460 0.095 0.000 1.208 444 Y HN 0.495 nan 8.280 nan 0.000 0.458 445 N N 2.343 121.142 118.700 0.165 0.000 2.319 445 N HA 0.202 4.942 4.740 0.000 0.000 0.305 445 N C -1.159 174.395 175.510 0.074 0.000 1.103 445 N CA -0.629 52.464 53.050 0.072 0.000 0.815 445 N CB 1.629 40.148 38.487 0.054 0.000 1.288 445 N HN 0.561 nan 8.380 nan 0.000 0.493 446 Q N -0.952 118.847 119.800 -0.001 0.000 2.459 446 Q HA -0.117 4.223 4.340 0.000 0.000 0.322 446 Q C -0.932 175.035 176.000 -0.055 0.000 1.427 446 Q CA 0.469 56.280 55.803 0.013 0.000 0.861 446 Q CB -2.079 26.780 28.738 0.201 0.000 1.137 446 Q HN 0.384 nan 8.270 nan 0.000 0.394 447 V N 0.983 120.712 119.914 -0.309 0.000 2.539 447 V HA 0.561 4.681 4.120 0.000 0.000 0.292 447 V C 0.135 175.996 176.094 -0.387 0.000 1.045 447 V CA -0.359 61.833 62.300 -0.179 0.000 0.945 447 V CB 1.056 32.788 31.823 -0.151 0.000 0.993 447 V HN 0.331 nan 8.190 nan 0.000 0.464 448 Y N 3.751 124.056 120.300 0.007 0.000 2.536 448 Y HA 0.521 5.071 4.550 0.000 0.000 0.347 448 Y C -2.236 173.681 175.900 0.029 0.000 1.000 448 Y CA -2.668 55.450 58.100 0.031 0.000 1.051 448 Y CB 2.230 40.727 38.460 0.062 0.000 1.259 448 Y HN 0.434 nan 8.280 nan 0.000 0.468 449 P HA -0.019 nan 4.420 nan 0.000 0.269 449 P C -2.171 175.159 177.300 0.049 0.000 1.217 449 P CA -1.083 62.016 63.100 -0.002 0.000 0.783 449 P CB 0.532 32.215 31.700 -0.029 0.000 0.898 450 P HA -0.041 nan 4.420 nan 0.000 0.216 450 P C 0.551 177.689 177.300 -0.269 0.000 1.153 450 P CA 1.448 64.128 63.100 -0.700 0.000 0.844 450 P CB 0.231 31.130 31.700 -1.335 0.000 0.787 451 L N 0.612 121.731 121.223 -0.174 0.000 2.466 451 L HA 0.220 4.560 4.340 0.000 0.000 0.248 451 L C 0.422 177.346 176.870 0.089 0.000 1.240 451 L CA -0.789 54.039 54.840 -0.019 0.000 1.180 451 L CB -0.362 41.591 42.059 -0.176 0.000 1.413 451 L HN -0.084 nan 8.230 nan 0.000 0.406 452 L N 2.341 123.610 121.223 0.077 0.000 2.356 452 L HA 0.174 4.514 4.340 0.000 0.000 0.282 452 L C 0.821 177.655 176.870 -0.060 0.000 1.132 452 L CA 0.484 55.337 54.840 0.021 0.000 0.923 452 L CB 0.459 42.501 42.059 -0.029 0.000 1.278 452 L HN 0.473 nan 8.230 nan 0.000 0.436 453 L N 1.699 122.934 121.223 0.019 0.000 2.446 453 L HA 0.219 4.559 4.340 0.000 0.000 0.219 453 L C 0.693 177.567 176.870 0.006 0.000 1.116 453 L CA 0.349 55.194 54.840 0.009 0.000 0.844 453 L CB -0.022 42.081 42.059 0.072 0.000 0.970 453 L HN 0.659 nan 8.230 nan 0.000 0.457 454 S N -1.348 114.364 115.700 0.020 0.000 2.543 454 S HA 0.206 4.676 4.470 0.000 0.000 0.271 454 S C -0.219 174.401 174.600 0.032 0.000 1.148 454 S CA -0.718 57.495 58.200 0.022 0.000 0.914 454 S CB 1.382 64.606 63.200 0.041 0.000 1.096 454 S HN 0.053 nan 8.310 nan 0.000 0.471 455 D N 2.205 122.609 120.400 0.007 0.000 2.349 455 D HA 0.061 4.701 4.640 0.000 0.000 0.224 455 D C 1.408 177.756 176.300 0.080 0.000 1.029 455 D CA 1.047 55.066 54.000 0.032 0.000 0.879 455 D CB 0.398 41.176 40.800 -0.037 0.000 0.906 455 D HN 0.551 nan 8.370 nan 0.000 0.528 456 S N -1.684 114.054 115.700 0.063 0.000 2.628 456 S HA 0.077 4.547 4.470 0.000 0.000 0.246 456 S C 0.683 175.319 174.600 0.060 0.000 1.062 456 S CA -0.482 57.755 58.200 0.060 0.000 1.028 456 S CB 0.809 64.032 63.200 0.038 0.000 0.985 456 S HN -0.018 nan 8.310 nan 0.000 0.551 457 S N 2.675 118.411 115.700 0.061 0.000 2.594 457 S HA 0.572 5.042 4.470 0.000 0.000 0.322 457 S C -2.271 172.370 174.600 0.067 0.000 1.085 457 S CA -1.555 56.675 58.200 0.051 0.000 1.116 457 S CB 1.364 64.584 63.200 0.034 0.000 0.979 457 S HN 0.011 nan 8.310 nan 0.000 0.465 458 P HA -0.011 nan 4.420 nan 0.000 0.218 458 P C 1.440 178.745 177.300 0.008 0.000 1.149 458 P CA 1.146 64.307 63.100 0.102 0.000 0.817 458 P CB 0.056 31.820 31.700 0.106 0.000 0.785 459 A N 0.261 123.064 122.820 -0.029 0.000 1.908 459 A HA -0.142 4.178 4.320 0.000 0.000 0.218 459 A C 2.342 179.895 177.584 -0.052 0.000 1.181 459 A CA 2.202 54.193 52.037 -0.076 0.000 0.627 459 A CB -1.549 17.419 19.000 -0.052 0.000 0.818 459 A HN 0.214 nan 8.150 nan 0.000 0.445 460 A N 0.204 123.025 122.820 0.001 0.000 1.898 460 A HA -0.168 4.152 4.320 0.000 0.000 0.216 460 A C 1.900 179.512 177.584 0.048 0.000 1.181 460 A CA 1.644 53.697 52.037 0.025 0.000 0.620 460 A CB -0.578 18.445 19.000 0.039 0.000 0.819 460 A HN 0.551 nan 8.150 nan 0.000 0.442 461 N N 0.642 119.391 118.700 0.083 0.000 2.166 461 N HA -0.098 4.642 4.740 0.000 0.000 0.186 461 N C 1.827 177.440 175.510 0.171 0.000 1.019 461 N CA 1.509 54.659 53.050 0.167 0.000 0.856 461 N CB -0.544 38.101 38.487 0.263 0.000 0.993 461 N HN 0.479 nan 8.380 nan 0.000 0.426 462 A N 1.432 124.198 122.820 -0.090 0.000 1.930 462 A HA -0.055 4.265 4.320 0.000 0.000 0.217 462 A C 2.280 179.770 177.584 -0.157 0.000 1.175 462 A CA 0.830 52.589 52.037 -0.464 0.000 0.627 462 A CB -0.200 18.283 19.000 -0.861 0.000 0.815 462 A HN 0.040 nan 8.150 nan 0.000 0.443 463 R N -0.642 119.814 120.500 -0.073 0.000 2.083 463 R HA -0.129 4.211 4.340 0.000 0.000 0.237 463 R C 1.978 178.286 176.300 0.015 0.000 1.137 463 R CA 1.657 57.742 56.100 -0.024 0.000 0.951 463 R CB -0.945 29.359 30.300 0.005 0.000 0.851 463 R HN 0.581 nan 8.270 nan 0.000 0.434 464 I N 0.505 121.100 120.570 0.042 0.000 2.252 464 I HA -0.189 3.981 4.170 0.000 0.000 0.245 464 I C 2.052 178.174 176.117 0.008 0.000 1.102 464 I CA 1.108 62.428 61.300 0.033 0.000 1.385 464 I CB -0.236 37.792 38.000 0.046 0.000 1.064 464 I HN -0.163 nan 8.210 nan 0.000 0.414 465 V N 0.864 120.811 119.914 0.056 0.000 2.261 465 V HA -0.307 3.813 4.120 0.000 0.000 0.246 465 V C 2.720 178.857 176.094 0.072 0.000 1.047 465 V CA 2.485 64.838 62.300 0.090 0.000 1.015 465 V CB -1.629 30.355 31.823 0.269 0.000 0.642 465 V HN 0.682 nan 8.190 nan 0.000 0.446 466 T N -0.836 113.746 114.554 0.046 0.000 2.746 466 T HA -0.174 4.176 4.350 0.000 0.000 0.267 466 T C 1.940 176.658 174.700 0.029 0.000 1.039 466 T CA 1.615 63.731 62.100 0.026 0.000 1.142 466 T CB -0.578 68.275 68.868 -0.025 0.000 0.866 466 T HN 0.471 nan 8.240 nan 0.000 0.444 467 A N 1.895 124.731 122.820 0.026 0.000 1.873 467 A HA 0.011 4.331 4.320 0.000 0.000 0.218 467 A C 2.442 180.042 177.584 0.027 0.000 1.193 467 A CA 1.775 53.830 52.037 0.031 0.000 0.629 467 A CB -1.037 17.987 19.000 0.041 0.000 0.826 467 A HN 0.592 nan 8.150 nan 0.000 0.447 468 I N -0.349 120.243 120.570 0.037 0.000 2.163 468 I HA -0.245 3.925 4.170 0.000 0.000 0.243 468 I C 2.609 178.782 176.117 0.095 0.000 1.085 468 I CA 1.346 62.693 61.300 0.078 0.000 1.347 468 I CB -0.545 37.492 38.000 0.063 0.000 1.044 468 I HN 0.419 nan 8.210 nan 0.000 0.408 469 G N -0.508 108.347 108.800 0.092 0.000 2.509 469 G HA2 -0.145 3.815 3.960 0.000 0.000 0.218 469 G HA3 -0.145 3.815 3.960 0.000 0.000 0.218 469 G C 1.363 176.326 174.900 0.104 0.000 1.124 469 G CA 0.326 45.496 45.100 0.117 0.000 0.776 469 G HN 0.311 nan 8.290 nan 0.000 0.547 470 Q N -0.171 119.661 119.800 0.054 0.000 2.179 470 Q HA 0.323 4.663 4.340 0.000 0.000 0.213 470 Q C 0.651 176.650 176.000 -0.002 0.000 0.833 470 Q CA -0.239 55.591 55.803 0.045 0.000 0.990 470 Q CB 0.591 29.354 28.738 0.042 0.000 1.132 470 Q HN 0.399 nan 8.270 nan 0.000 0.493 471 L N 0.908 122.041 121.223 -0.150 0.000 2.473 471 L HA 0.077 4.417 4.340 0.000 0.000 0.268 471 L C 0.872 177.661 176.870 -0.136 0.000 1.215 471 L CA 0.045 54.688 54.840 -0.329 0.000 0.823 471 L CB 0.210 41.753 42.059 -0.861 0.000 1.099 471 L HN 0.167 nan 8.230 nan 0.000 0.483 472 H N 3.093 122.110 119.070 -0.088 0.000 2.594 472 H HA 0.223 4.779 4.556 0.000 0.000 0.304 472 H C -0.892 174.525 175.328 0.148 0.000 1.068 472 H CA -0.983 55.102 56.048 0.061 0.000 1.308 472 H CB 1.493 31.270 29.762 0.025 0.000 1.409 472 H HN 0.412 nan 8.280 nan 0.000 0.460 473 M N 5.038 124.484 119.600 -0.256 0.000 2.077 473 M HA 0.300 4.780 4.480 0.000 0.000 0.348 473 M C -0.386 175.518 176.300 -0.660 0.000 1.252 473 M CA -0.292 54.831 55.300 -0.295 0.000 1.096 473 M CB 0.254 32.731 32.600 -0.206 0.000 1.568 473 M HN 0.638 nan 8.290 nan 0.000 0.456 474 A N 5.159 127.627 122.820 -0.588 0.000 2.511 474 A HA 0.442 4.762 4.320 0.000 0.000 0.242 474 A C -0.063 177.307 177.584 -0.356 0.000 1.069 474 A CA -0.224 51.530 52.037 -0.472 0.000 0.763 474 A CB 0.146 18.799 19.000 -0.580 0.000 1.001 474 A HN 0.835 nan 8.150 nan 0.000 0.498 475 R N 1.166 121.582 120.500 -0.140 0.000 2.490 475 R HA 0.574 4.914 4.340 0.000 0.000 0.280 475 R C 0.051 176.405 176.300 0.089 0.000 1.077 475 R CA 0.319 56.418 56.100 -0.001 0.000 1.065 475 R CB 1.019 31.354 30.300 0.058 0.000 1.003 475 R HN 0.672 nan 8.270 nan 0.000 0.470 476 S N 0.429 116.256 115.700 0.211 0.000 2.537 476 S HA 0.680 5.150 4.470 0.000 0.000 0.271 476 S C -1.522 173.345 174.600 0.444 0.000 1.148 476 S CA -0.664 57.748 58.200 0.353 0.000 0.868 476 S CB 1.211 64.678 63.200 0.444 0.000 1.115 476 S HN 0.507 nan 8.310 nan 0.000 0.461 477 S N 2.424 118.367 115.700 0.404 0.000 2.564 477 S HA 0.619 5.089 4.470 0.000 0.000 0.274 477 S C -1.689 173.078 174.600 0.279 0.000 1.124 477 S CA -1.043 57.340 58.200 0.305 0.000 0.869 477 S CB 1.830 65.186 63.200 0.260 0.000 1.105 477 S HN 0.648 nan 8.310 nan 0.000 0.472 478 K N 1.432 121.935 120.400 0.171 0.000 2.471 478 K HA 0.606 4.926 4.320 0.000 0.000 0.252 478 K C -1.531 175.073 176.600 0.007 0.000 0.938 478 K CA -0.685 55.647 56.287 0.074 0.000 0.796 478 K CB 2.204 34.763 32.500 0.099 0.000 1.161 478 K HN 0.351 nan 8.250 nan 0.000 0.425 479 V N 4.438 124.290 119.914 -0.103 0.000 2.370 479 V HA 0.465 4.585 4.120 0.000 0.000 0.283 479 V C -0.760 175.265 176.094 -0.115 0.000 1.023 479 V CA -0.605 61.675 62.300 -0.033 0.000 0.857 479 V CB 0.254 32.075 31.823 -0.003 0.000 0.985 479 V HN 0.564 nan 8.190 nan 0.000 0.443 480 F N 2.507 122.444 119.950 -0.021 0.000 2.561 480 F HA 0.899 5.426 4.527 0.000 0.000 0.321 480 F C 0.384 175.985 175.800 -0.332 0.000 1.065 480 F CA -0.382 57.389 58.000 -0.381 0.000 0.934 480 F CB 2.229 40.456 39.000 -1.288 0.000 1.215 480 F HN 0.608 nan 8.300 nan 0.000 0.471 481 A N 0.484 123.248 122.820 -0.093 0.000 2.593 481 A HA 0.816 5.136 4.320 0.000 0.000 0.290 481 A C -1.356 176.298 177.584 0.117 0.000 1.126 481 A CA -0.725 51.253 52.037 -0.098 0.000 0.695 481 A CB 1.399 20.136 19.000 -0.438 0.000 1.290 481 A HN 0.552 nan 8.150 nan 0.000 0.414 482 T N 0.597 115.213 114.554 0.103 0.000 2.779 482 T HA 0.585 4.935 4.350 0.000 0.000 0.280 482 T C -1.039 173.727 174.700 0.110 0.000 0.987 482 T CA -0.319 61.859 62.100 0.130 0.000 0.966 482 T CB 1.172 70.039 68.868 -0.003 0.000 0.933 482 T HN 1.112 nan 8.240 nan 0.000 0.442 483 V N 3.722 123.749 119.914 0.188 0.000 2.876 483 V HA 0.493 4.613 4.120 0.000 0.000 0.312 483 V C -0.863 175.378 176.094 0.245 0.000 1.085 483 V CA -1.107 61.303 62.300 0.184 0.000 0.945 483 V CB 1.990 33.898 31.823 0.141 0.000 1.017 483 V HN 0.693 nan 8.190 nan 0.000 0.428 484 K N 3.363 123.867 120.400 0.173 0.000 2.451 484 K HA 0.127 4.447 4.320 0.000 0.000 0.280 484 K C 1.241 177.845 176.600 0.005 0.000 1.020 484 K CA 0.333 56.629 56.287 0.015 0.000 1.008 484 K CB 0.962 33.435 32.500 -0.045 0.000 0.917 484 K HN 0.863 nan 8.250 nan 0.000 0.478 485 T N 1.870 116.401 114.554 -0.040 0.000 2.803 485 T HA -0.191 4.159 4.350 0.000 0.000 0.269 485 T C 1.782 176.454 174.700 -0.047 0.000 1.052 485 T CA 1.661 63.748 62.100 -0.022 0.000 1.136 485 T CB -0.011 68.836 68.868 -0.035 0.000 0.864 485 T HN 0.714 nan 8.240 nan 0.000 0.467 486 A N 1.286 124.062 122.820 -0.073 0.000 2.131 486 A HA 0.179 4.499 4.320 0.000 0.000 0.220 486 A C 2.574 180.105 177.584 -0.087 0.000 1.158 486 A CA 1.493 53.481 52.037 -0.081 0.000 0.665 486 A CB -0.888 18.064 19.000 -0.081 0.000 0.795 486 A HN 0.522 nan 8.150 nan 0.000 0.460 487 A N -0.076 122.713 122.820 -0.052 0.000 1.978 487 A HA -0.058 4.262 4.320 0.000 0.000 0.220 487 A C 1.981 179.434 177.584 -0.218 0.000 1.170 487 A CA 1.379 53.374 52.037 -0.070 0.000 0.636 487 A CB -0.527 18.517 19.000 0.073 0.000 0.810 487 A HN 0.513 nan 8.150 nan 0.000 0.448 488 L N -0.437 120.704 121.223 -0.138 0.000 2.362 488 L HA -0.131 4.209 4.340 0.000 0.000 0.219 488 L C 0.995 177.717 176.870 -0.246 0.000 1.134 488 L CA 0.871 55.613 54.840 -0.164 0.000 0.807 488 L CB -0.373 41.643 42.059 -0.072 0.000 0.927 488 L HN 0.300 nan 8.230 nan 0.000 0.447 489 D N -1.104 119.155 120.400 -0.235 0.000 2.339 489 D HA 0.003 4.643 4.640 0.000 0.000 0.217 489 D C 0.887 177.008 176.300 -0.299 0.000 1.050 489 D CA 0.276 54.144 54.000 -0.220 0.000 0.856 489 D CB 0.185 40.895 40.800 -0.150 0.000 0.922 489 D HN 0.264 nan 8.370 nan 0.000 0.518 490 Q N 0.940 120.450 119.800 -0.483 0.000 2.394 490 Q HA 0.082 4.422 4.340 0.000 0.000 0.248 490 Q C -1.410 174.228 176.000 -0.604 0.000 0.992 490 Q CA -1.158 54.266 55.803 -0.632 0.000 0.888 490 Q CB 0.913 28.911 28.738 -1.233 0.000 1.257 490 Q HN 0.045 nan 8.270 nan 0.000 0.462 491 P HA -0.110 nan 4.420 nan 0.000 0.226 491 P C 0.930 178.156 177.300 -0.124 0.000 1.153 491 P CA 1.181 64.167 63.100 -0.190 0.000 0.777 491 P CB -0.121 31.553 31.700 -0.043 0.000 0.794 492 W N -0.259 121.026 121.300 -0.026 0.000 2.800 492 W HA 0.200 4.860 4.660 0.000 0.000 0.249 492 W C -0.433 176.034 176.519 -0.086 0.000 1.294 492 W CA -0.196 57.145 57.345 -0.007 0.000 1.402 492 W CB -0.843 28.659 29.460 0.070 0.000 1.126 492 W HN -0.338 nan 8.180 nan 0.000 0.652 493 V N 5.197 124.877 119.914 -0.390 0.000 2.406 493 V HA 0.175 4.295 4.120 0.000 0.000 0.272 493 V C -1.572 174.163 176.094 -0.599 0.000 1.043 493 V CA -1.709 60.261 62.300 -0.550 0.000 0.915 493 V CB 0.830 32.360 31.823 -0.488 0.000 0.988 493 V HN -0.266 nan 8.190 nan 0.000 0.466 494 P HA 0.184 nan 4.420 nan 0.000 0.271 494 P C -0.835 176.264 177.300 -0.334 0.000 1.218 494 P CA -0.226 62.543 63.100 -0.550 0.000 0.780 494 P CB 0.660 31.965 31.700 -0.658 0.000 0.901 495 Q N 1.221 120.919 119.800 -0.171 0.000 2.306 495 Q HA 0.414 4.754 4.340 0.000 0.000 0.265 495 Q C -0.994 175.062 176.000 0.093 0.000 1.022 495 Q CA -0.193 55.566 55.803 -0.073 0.000 0.853 495 Q CB 2.841 31.524 28.738 -0.092 0.000 1.327 495 Q HN 0.676 nan 8.270 nan 0.000 0.449 496 W N 3.188 124.408 121.300 -0.132 0.000 3.259 496 W HA 0.218 4.878 4.660 0.000 0.000 0.331 496 W C -0.479 175.993 176.519 -0.079 0.000 1.144 496 W CA -0.472 56.815 57.345 -0.097 0.000 1.227 496 W CB 1.070 30.469 29.460 -0.102 0.000 1.371 496 W HN 0.654 nan 8.180 nan 0.000 0.491 497 R N 3.292 123.307 120.500 -0.808 0.000 3.416 497 R HA -0.197 4.143 4.340 0.000 0.000 0.263 497 R C 0.749 176.881 176.300 -0.280 0.000 1.053 497 R CA 1.573 57.319 56.100 -0.592 0.000 0.705 497 R CB -2.074 27.869 30.300 -0.595 0.000 1.124 497 R HN 1.333 nan 8.270 nan 0.000 0.444 498 G N -1.184 107.482 108.800 -0.223 0.000 2.159 498 G HA2 -0.292 3.668 3.960 0.000 0.000 0.256 498 G HA3 -0.292 3.668 3.960 0.000 0.000 0.256 498 G C -0.165 174.670 174.900 -0.109 0.000 0.977 498 G CA 0.611 45.624 45.100 -0.145 0.000 0.652 498 G HN 0.378 nan 8.290 nan 0.000 0.531 499 E N -0.044 120.097 120.200 -0.097 0.000 2.366 499 E HA 0.446 4.796 4.350 0.000 0.000 0.278 499 E C -2.746 173.813 176.600 -0.068 0.000 0.923 499 E CA -1.717 54.638 56.400 -0.076 0.000 0.761 499 E CB 2.570 32.231 29.700 -0.064 0.000 1.231 499 E HN 0.083 nan 8.360 nan 0.000 0.443 500 P HA 0.145 nan 4.420 nan 0.000 0.269 500 P C 0.333 177.596 177.300 -0.062 0.000 1.215 500 P CA -0.063 62.977 63.100 -0.101 0.000 0.780 500 P CB 0.640 32.273 31.700 -0.110 0.000 0.898 501 I N 2.647 123.168 120.570 -0.081 0.000 2.668 501 I HA -0.060 4.110 4.170 0.000 0.000 0.285 501 I C 1.493 177.647 176.117 0.063 0.000 1.168 501 I CA 0.895 62.188 61.300 -0.011 0.000 1.424 501 I CB -0.046 37.958 38.000 0.008 0.000 1.377 501 I HN 0.348 nan 8.210 nan 0.000 0.560 502 K N 4.984 125.401 120.400 0.028 0.000 2.477 502 K HA 0.417 4.737 4.320 0.000 0.000 0.208 502 K C -0.271 176.336 176.600 0.011 0.000 1.117 502 K CA -0.112 56.205 56.287 0.050 0.000 1.039 502 K CB 1.230 33.747 32.500 0.028 0.000 0.937 502 K HN 0.672 nan 8.250 nan 0.000 0.570 503 A N 0.955 123.730 122.820 -0.075 0.000 2.455 503 A HA 0.668 4.988 4.320 0.000 0.000 0.300 503 A C -1.201 176.233 177.584 -0.251 0.000 1.040 503 A CA -0.576 51.326 52.037 -0.225 0.000 0.697 503 A CB 1.699 20.572 19.000 -0.213 0.000 1.265 503 A HN -0.058 nan 8.150 nan 0.000 0.407 504 V N 2.314 122.000 119.914 -0.380 0.000 2.569 504 V HA 0.477 4.597 4.120 0.000 0.000 0.301 504 V C -0.734 175.213 176.094 -0.245 0.000 1.044 504 V CA -0.539 61.546 62.300 -0.358 0.000 0.874 504 V CB 1.701 33.025 31.823 -0.832 0.000 1.002 504 V HN 0.720 nan 8.190 nan 0.000 0.424 505 V N 4.419 124.303 119.914 -0.050 0.000 2.384 505 V HA 0.838 4.958 4.120 0.000 0.000 0.287 505 V C 0.034 176.180 176.094 0.088 0.000 1.020 505 V CA -0.146 62.180 62.300 0.042 0.000 0.850 505 V CB 1.689 33.578 31.823 0.109 0.000 0.987 505 V HN 1.054 nan 8.190 nan 0.000 0.436 506 S N 1.701 117.425 115.700 0.040 0.000 2.570 506 S HA 0.444 4.914 4.470 0.000 0.000 0.270 506 S C -0.314 174.270 174.600 -0.028 0.000 1.149 506 S CA -0.555 57.626 58.200 -0.031 0.000 0.837 506 S CB 2.083 65.328 63.200 0.076 0.000 1.124 506 S HN 0.740 nan 8.310 nan 0.000 0.465 507 D N 0.526 120.863 120.400 -0.106 0.000 2.336 507 D HA 0.057 4.697 4.640 0.000 0.000 0.228 507 D C 1.420 177.657 176.300 -0.104 0.000 1.120 507 D CA 0.366 54.318 54.000 -0.081 0.000 0.839 507 D CB -0.351 40.389 40.800 -0.100 0.000 0.932 507 D HN 0.494 nan 8.370 nan 0.000 0.509 508 S N -1.036 114.615 115.700 -0.083 0.000 2.507 508 S HA 0.183 4.653 4.470 0.000 0.000 0.235 508 S C 1.887 176.496 174.600 0.016 0.000 0.988 508 S CA 0.657 58.833 58.200 -0.041 0.000 0.944 508 S CB -0.378 62.878 63.200 0.094 0.000 0.762 508 S HN 0.571 nan 8.310 nan 0.000 0.526 509 G N 1.006 109.818 108.800 0.020 0.000 2.284 509 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 509 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 509 G C 0.684 175.611 174.900 0.045 0.000 1.009 509 G CA 0.132 45.251 45.100 0.031 0.000 0.625 509 G HN 0.471 nan 8.290 nan 0.000 0.501 510 L N 0.513 121.779 121.223 0.072 0.000 2.217 510 L HA 0.361 4.701 4.340 0.000 0.000 0.211 510 L C 2.785 179.676 176.870 0.035 0.000 1.107 510 L CA 1.321 56.205 54.840 0.073 0.000 0.783 510 L CB -0.484 41.654 42.059 0.131 0.000 0.919 510 L HN 1.349 nan 8.230 nan 0.000 0.442 511 A N -0.160 122.673 122.820 0.021 0.000 1.282 511 A HA -0.284 4.036 4.320 0.000 0.000 0.224 511 A C 0.727 178.287 177.584 -0.040 0.000 0.457 511 A CA 1.280 53.304 52.037 -0.022 0.000 1.095 511 A CB -1.700 17.249 19.000 -0.086 0.000 1.470 511 A HN 0.742 nan 8.150 nan 0.000 0.723 512 A N -1.157 121.627 122.820 -0.060 0.000 2.459 512 A HA 0.744 5.064 4.320 0.000 0.000 0.296 512 A C -0.344 177.203 177.584 -0.062 0.000 1.039 512 A CA 0.777 52.755 52.037 -0.099 0.000 0.698 512 A CB 1.528 20.501 19.000 -0.045 0.000 1.261 512 A HN 1.697 nan 8.150 nan 0.000 0.405 513 S N 0.438 115.968 115.700 -0.283 0.000 2.541 513 S HA 0.830 5.300 4.470 0.000 0.000 0.280 513 S C -1.637 172.743 174.600 -0.368 0.000 1.112 513 S CA -0.355 57.776 58.200 -0.115 0.000 0.925 513 S CB 1.110 64.328 63.200 0.030 0.000 1.067 513 S HN 0.546 nan 8.310 nan 0.000 0.479 514 Y N -0.142 120.217 120.300 0.098 0.000 2.470 514 Y HA 0.498 5.048 4.550 0.000 0.000 0.341 514 Y C -0.618 175.354 175.900 0.120 0.000 1.021 514 Y CA -1.116 57.045 58.100 0.101 0.000 1.025 514 Y CB 1.520 40.060 38.460 0.133 0.000 1.266 514 Y HN 0.372 nan 8.280 nan 0.000 0.448 515 V N 4.086 124.142 119.914 0.237 0.000 2.239 515 V HA 0.325 4.445 4.120 0.000 0.000 0.267 515 V C -0.496 175.686 176.094 0.146 0.000 1.056 515 V CA -0.757 61.660 62.300 0.195 0.000 0.830 515 V CB 0.499 32.430 31.823 0.179 0.000 1.090 515 V HN 0.563 nan 8.190 nan 0.000 0.459 516 V N 7.107 127.116 119.914 0.159 0.000 2.383 516 V HA 0.342 4.462 4.120 0.000 0.000 0.275 516 V C -2.029 174.118 176.094 0.089 0.000 1.036 516 V CA -1.995 60.361 62.300 0.093 0.000 0.889 516 V CB 1.614 33.509 31.823 0.121 0.000 0.985 516 V HN 0.594 nan 8.190 nan 0.000 0.459 517 P HA 0.045 nan 4.420 nan 0.000 0.268 517 P C 0.063 177.398 177.300 0.059 0.000 1.205 517 P CA 0.193 63.321 63.100 0.046 0.000 0.771 517 P CB 0.487 32.195 31.700 0.012 0.000 0.858 518 S N 3.676 119.422 115.700 0.076 0.000 2.552 518 S HA 0.088 4.558 4.470 0.000 0.000 0.289 518 S C -1.264 173.361 174.600 0.041 0.000 1.304 518 S CA -0.868 57.373 58.200 0.069 0.000 1.063 518 S CB -0.352 62.902 63.200 0.090 0.000 0.848 518 S HN 0.347 nan 8.310 nan 0.000 0.499 519 P HA 0.215 nan 4.420 nan 0.000 0.255 519 P C -0.153 177.153 177.300 0.010 0.000 1.248 519 P CA 0.252 63.364 63.100 0.020 0.000 0.807 519 P CB -0.106 31.609 31.700 0.024 0.000 1.150 520 I N 0.719 121.297 120.570 0.012 0.000 2.276 520 I HA 0.291 4.461 4.170 0.000 0.000 0.290 520 I C 0.326 176.454 176.117 0.019 0.000 1.109 520 I CA -0.270 61.035 61.300 0.009 0.000 1.229 520 I CB 0.749 38.752 38.000 0.004 0.000 1.452 520 I HN -0.186 nan 8.210 nan 0.000 0.497 527 P HA 0.288 nan 4.420 nan 0.000 0.275 527 P C 0.582 177.844 177.300 -0.063 0.000 1.228 527 P CA -0.132 62.959 63.100 -0.015 0.000 0.786 527 P CB 1.231 32.944 31.700 0.021 0.000 0.927 528 E N 1.028 121.157 120.200 -0.118 0.000 2.118 528 E HA -0.166 4.184 4.350 0.000 0.000 0.195 528 E C -0.288 176.033 176.600 -0.465 0.000 0.992 528 E CA 1.075 57.280 56.400 -0.325 0.000 0.804 528 E CB -0.014 29.413 29.700 -0.456 0.000 0.741 528 E HN 0.482 nan 8.360 nan 0.000 0.458 529 Y N -0.798 119.505 120.300 0.005 0.000 2.549 529 Y HA 0.426 4.976 4.550 0.000 0.000 0.339 529 Y C -0.131 175.787 175.900 0.030 0.000 1.053 529 Y CA -0.941 57.169 58.100 0.017 0.000 1.105 529 Y CB 2.305 40.770 38.460 0.008 0.000 1.258 529 Y HN -0.248 nan 8.280 nan 0.000 0.478 530 S N -0.033 115.809 115.700 0.236 0.000 2.568 530 S HA 0.475 4.945 4.470 0.000 0.000 0.293 530 S C -1.015 173.719 174.600 0.224 0.000 1.089 530 S CA -1.017 57.294 58.200 0.184 0.000 0.945 530 S CB 1.589 64.873 63.200 0.140 0.000 1.077 530 S HN 0.498 nan 8.310 nan 0.000 0.485 531 S N 2.019 117.863 115.700 0.240 0.000 2.439 531 S HA 0.292 4.762 4.470 0.000 0.000 0.282 531 S C -0.275 174.508 174.600 0.306 0.000 1.170 531 S CA -0.473 57.935 58.200 0.346 0.000 1.054 531 S CB -0.054 63.391 63.200 0.408 0.000 0.956 531 S HN 0.557 nan 8.310 nan 0.000 0.490 532 L N 5.365 126.743 121.223 0.259 0.000 2.356 532 L HA 0.309 4.649 4.340 0.000 0.000 0.282 532 L C -0.460 176.488 176.870 0.129 0.000 1.132 532 L CA -0.646 54.310 54.840 0.194 0.000 0.923 532 L CB 0.304 42.454 42.059 0.153 0.000 1.278 532 L HN 0.511 nan 8.230 nan 0.000 0.436 533 L N 5.171 126.442 121.223 0.080 0.000 2.448 533 L HA 0.200 4.540 4.340 0.000 0.000 0.278 533 L C 1.183 178.035 176.870 -0.031 0.000 1.201 533 L CA 0.476 55.157 54.840 -0.266 0.000 1.036 533 L CB 0.575 42.496 42.059 -0.230 0.000 1.325 533 L HN 0.637 nan 8.230 nan 0.000 0.441 534 A N 2.868 125.669 122.820 -0.032 0.000 1.969 534 A HA 0.063 4.383 4.320 0.000 0.000 0.218 534 A C 1.146 178.765 177.584 0.058 0.000 1.169 534 A CA 1.139 53.212 52.037 0.060 0.000 0.635 534 A CB -0.135 18.903 19.000 0.062 0.000 0.810 534 A HN 0.675 nan 8.150 nan 0.000 0.445 535 S N -2.178 113.524 115.700 0.003 0.000 2.626 535 S HA 0.485 4.955 4.470 0.000 0.000 0.275 535 S C -1.490 173.149 174.600 0.065 0.000 1.175 535 S CA -0.499 57.727 58.200 0.043 0.000 0.982 535 S CB 0.821 64.046 63.200 0.043 0.000 1.093 535 S HN 0.405 nan 8.310 nan 0.000 0.472 536 Y N 4.843 125.092 120.300 -0.086 0.000 2.376 536 Y HA 0.541 5.091 4.550 0.000 0.000 0.326 536 Y C -0.065 175.656 175.900 -0.298 0.000 0.970 536 Y CA -0.594 57.412 58.100 -0.157 0.000 1.248 536 Y CB 1.068 39.457 38.460 -0.119 0.000 1.117 536 Y HN 0.744 nan 8.280 nan 0.000 0.476 537 T N 2.272 116.735 114.554 -0.152 0.000 2.912 537 T HA 0.518 4.868 4.350 0.000 0.000 0.288 537 T C -1.049 173.462 174.700 -0.315 0.000 1.030 537 T CA -0.640 61.286 62.100 -0.290 0.000 1.020 537 T CB 1.579 70.439 68.868 -0.013 0.000 1.056 537 T HN 0.535 nan 8.240 nan 0.000 0.480 538 W N 1.188 122.448 121.300 -0.066 0.000 2.761 538 W HA 0.492 5.152 4.660 0.000 0.000 0.340 538 W C 0.535 177.033 176.519 -0.035 0.000 1.072 538 W CA -0.497 56.802 57.345 -0.076 0.000 1.215 538 W CB 0.907 30.282 29.460 -0.142 0.000 1.420 538 W HN 0.906 nan 8.180 nan 0.000 0.519 539 E N 0.324 120.649 120.200 0.208 0.000 3.259 539 E HA -0.301 4.049 4.350 0.000 0.000 0.332 539 E C 0.834 177.502 176.600 0.114 0.000 1.477 539 E CA 1.856 58.340 56.400 0.140 0.000 1.742 539 E CB -1.006 28.771 29.700 0.129 0.000 1.842 539 E HN 0.413 nan 8.360 nan 0.000 0.499 540 D N 1.263 121.720 120.400 0.094 0.000 2.218 540 D HA -0.088 4.552 4.640 0.000 0.000 0.204 540 D C 1.397 177.735 176.300 0.062 0.000 0.976 540 D CA 1.256 55.298 54.000 0.070 0.000 0.853 540 D CB -0.400 40.434 40.800 0.058 0.000 0.939 540 D HN 0.235 nan 8.370 nan 0.000 0.481 541 D N -0.217 120.226 120.400 0.070 0.000 2.144 541 D HA -0.122 4.518 4.640 0.000 0.000 0.199 541 D C 1.972 178.307 176.300 0.058 0.000 0.984 541 D CA 0.788 54.819 54.000 0.052 0.000 0.834 541 D CB -0.227 40.594 40.800 0.035 0.000 0.955 541 D HN 0.075 nan 8.370 nan 0.000 0.465 542 S N -0.438 115.313 115.700 0.086 0.000 2.371 542 S HA -0.117 4.353 4.470 0.000 0.000 0.224 542 S C 1.982 176.615 174.600 0.054 0.000 1.029 542 S CA 1.648 59.920 58.200 0.120 0.000 0.978 542 S CB -0.324 62.979 63.200 0.171 0.000 0.833 542 S HN 0.170 nan 8.310 nan 0.000 0.466 543 T N 2.266 116.847 114.554 0.045 0.000 2.720 543 T HA -0.092 4.258 4.350 0.000 0.000 0.268 543 T C 1.874 176.567 174.700 -0.011 0.000 1.037 543 T CA 1.482 63.588 62.100 0.011 0.000 1.144 543 T CB -0.311 68.574 68.868 0.029 0.000 0.864 543 T HN 0.444 nan 8.240 nan 0.000 0.444 544 R N 0.430 120.937 120.500 0.011 0.000 2.152 544 R HA 0.087 4.427 4.340 0.000 0.000 0.232 544 R C 2.231 178.530 176.300 -0.002 0.000 1.117 544 R CA 0.876 56.995 56.100 0.032 0.000 0.981 544 R CB -0.350 29.971 30.300 0.036 0.000 0.870 544 R HN 0.387 nan 8.270 nan 0.000 0.451 545 L N -0.550 120.600 121.223 -0.122 0.000 2.375 545 L HA 0.051 4.391 4.340 0.000 0.000 0.215 545 L C 2.501 178.897 176.870 -0.791 0.000 1.108 545 L CA 0.443 55.092 54.840 -0.317 0.000 0.830 545 L CB -0.243 41.766 42.059 -0.084 0.000 0.959 545 L HN 0.103 nan 8.230 nan 0.000 0.457 546 R N 0.531 120.593 120.500 -0.730 0.000 2.120 546 R HA -0.216 4.125 4.340 0.000 0.000 0.234 546 R C 2.398 178.336 176.300 -0.603 0.000 1.123 546 R CA 1.864 57.333 56.100 -1.052 0.000 0.975 546 R CB -0.267 29.809 30.300 -0.374 0.000 0.866 546 R HN 0.602 nan 8.270 nan 0.000 0.446 547 H N -1.669 117.233 119.070 -0.279 0.000 2.489 547 H HA -0.029 4.527 4.556 0.000 0.000 0.295 547 H C 0.803 176.099 175.328 -0.053 0.000 1.082 547 H CA 1.459 57.444 56.048 -0.106 0.000 1.295 547 H CB -0.078 29.634 29.762 -0.083 0.000 1.380 547 H HN 0.165 nan 8.280 nan 0.000 0.548 548 D N -0.335 119.725 120.400 -0.566 0.000 2.349 548 D HA 0.047 4.687 4.640 0.000 0.000 0.214 548 D C 1.032 177.318 176.300 -0.022 0.000 1.063 548 D CA 0.045 53.881 54.000 -0.275 0.000 0.847 548 D CB -0.153 40.447 40.800 -0.334 0.000 0.933 548 D HN 0.501 nan 8.370 nan 0.000 0.513 549 F N 0.295 120.146 119.950 -0.164 0.000 2.367 549 F HA 0.027 4.554 4.527 0.000 0.000 0.298 549 F C 2.297 177.834 175.800 -0.439 0.000 1.094 549 F CA 0.307 58.104 58.000 -0.338 0.000 1.409 549 F CB 0.333 39.036 39.000 -0.493 0.000 1.064 549 F HN 0.114 nan 8.300 nan 0.000 0.528 550 G N 1.286 109.975 108.800 -0.185 0.000 2.708 550 G HA2 -0.335 3.626 3.960 0.000 0.000 0.229 550 G HA3 -0.335 3.626 3.960 0.000 0.000 0.229 550 G C 0.109 174.875 174.900 -0.224 0.000 1.236 550 G CA 0.409 45.432 45.100 -0.129 0.000 0.749 550 G HN 0.222 nan 8.290 nan 0.000 0.515 551 L N -0.668 120.274 121.223 -0.468 0.000 2.388 551 L HA 0.783 5.123 4.340 0.000 0.000 0.264 551 L C -1.008 175.454 176.870 -0.679 0.000 0.998 551 L CA -1.336 53.283 54.840 -0.368 0.000 0.817 551 L CB 2.172 44.112 42.059 -0.198 0.000 1.338 551 L HN 0.181 nan 8.230 nan 0.000 0.414 552 Y N 0.710 120.952 120.300 -0.096 0.000 2.421 552 Y HA 0.369 4.919 4.550 0.000 0.000 0.339 552 Y C -1.697 174.100 175.900 -0.172 0.000 0.996 552 Y CA -1.299 56.715 58.100 -0.144 0.000 1.046 552 Y CB 1.342 39.755 38.460 -0.079 0.000 1.226 552 Y HN 0.411 nan 8.280 nan 0.000 0.445 553 P HA -0.009 nan 4.420 nan 0.000 0.245 553 P C -0.439 176.398 177.300 -0.772 0.000 1.206 553 P CA 0.586 63.383 63.100 -0.506 0.000 0.781 553 P CB 1.070 32.333 31.700 -0.730 0.000 0.994 554 Q N 0.517 120.039 119.800 -0.464 0.000 2.337 554 Q HA 0.419 4.759 4.340 0.000 0.000 0.270 554 Q C -1.352 174.432 176.000 -0.359 0.000 1.043 554 Q CA -0.695 54.856 55.803 -0.420 0.000 0.794 554 Q CB 1.443 30.121 28.738 -0.100 0.000 1.281 554 Q HN -0.199 nan 8.270 nan 0.000 0.446 555 N N 4.653 123.079 118.700 -0.457 0.000 2.448 555 N HA 0.473 5.213 4.740 0.000 0.000 0.279 555 N C -2.822 172.527 175.510 -0.267 0.000 1.025 555 N CA -1.776 51.091 53.050 -0.306 0.000 0.898 555 N CB 2.049 40.358 38.487 -0.298 0.000 1.303 555 N HN 0.357 nan 8.380 nan 0.000 0.495 556 P HA 0.193 nan 4.420 nan 0.000 0.276 556 P C -0.270 176.997 177.300 -0.054 0.000 1.244 556 P CA -0.275 62.788 63.100 -0.062 0.000 0.801 556 P CB 1.280 32.979 31.700 -0.002 0.000 1.006 557 A N 1.537 124.329 122.820 -0.047 0.000 2.218 557 A HA 0.142 4.462 4.320 0.000 0.000 0.209 557 A C 1.067 178.653 177.584 0.003 0.000 1.168 557 A CA 0.916 52.938 52.037 -0.025 0.000 0.804 557 A CB -0.856 18.127 19.000 -0.029 0.000 0.834 557 A HN 0.678 nan 8.150 nan 0.000 0.482 558 T N -4.231 110.325 114.554 0.004 0.000 2.950 558 T HA 0.479 4.829 4.350 0.000 0.000 0.288 558 T C 0.385 175.095 174.700 0.017 0.000 1.035 558 T CA -0.407 61.699 62.100 0.010 0.000 1.028 558 T CB 1.452 70.320 68.868 0.000 0.000 1.109 558 T HN 0.215 nan 8.240 nan 0.000 0.514 559 E N 0.146 120.354 120.200 0.014 0.000 2.285 559 E HA -0.047 4.303 4.350 0.000 0.000 0.194 559 E C 1.757 178.338 176.600 -0.032 0.000 0.997 559 E CA 1.326 57.728 56.400 0.004 0.000 0.845 559 E CB -0.025 29.686 29.700 0.018 0.000 0.782 559 E HN 0.893 nan 8.360 nan 0.000 0.491 560 T N -2.289 112.249 114.554 -0.026 0.000 3.060 560 T HA 0.168 4.519 4.350 0.000 0.000 0.249 560 T C 0.943 175.621 174.700 -0.037 0.000 1.079 560 T CA 0.031 62.106 62.100 -0.041 0.000 1.013 560 T CB 0.528 69.380 68.868 -0.026 0.000 0.975 560 T HN 0.038 nan 8.240 nan 0.000 0.518 561 G N 0.238 109.025 108.800 -0.022 0.000 2.557 561 G HA2 0.511 4.471 3.960 0.000 0.000 0.292 561 G HA3 0.511 4.471 3.960 0.000 0.000 0.292 561 G C -1.035 173.857 174.900 -0.014 0.000 1.237 561 G CA -0.436 44.653 45.100 -0.018 0.000 0.978 561 G HN 0.335 nan 8.290 nan 0.000 0.498 562 T N -1.797 112.749 114.554 -0.014 0.000 2.952 562 T HA 0.510 4.861 4.350 0.000 0.000 0.305 562 T C -0.029 174.666 174.700 -0.008 0.000 1.064 562 T CA 0.175 62.271 62.100 -0.008 0.000 1.008 562 T CB 1.274 70.125 68.868 -0.028 0.000 1.078 562 T HN 1.015 nan 8.240 nan 0.000 0.459 563 A N 3.590 126.410 122.820 0.001 0.000 3.135 563 A HA 0.291 4.611 4.320 0.000 0.000 0.253 563 A C 1.198 178.803 177.584 0.034 0.000 1.638 563 A CA -0.060 51.974 52.037 -0.005 0.000 1.295 563 A CB -0.840 18.140 19.000 -0.033 0.000 1.106 563 A HN 0.935 nan 8.150 nan 0.000 0.648 564 D N 1.235 121.648 120.400 0.022 0.000 2.097 564 D HA -0.086 4.554 4.640 0.000 0.000 0.197 564 D C 2.040 178.385 176.300 0.075 0.000 0.984 564 D CA 2.054 56.083 54.000 0.048 0.000 0.826 564 D CB -0.114 40.695 40.800 0.015 0.000 0.973 564 D HN 0.374 nan 8.370 nan 0.000 0.460 565 G N 0.687 109.511 108.800 0.040 0.000 2.446 565 G HA2 -0.296 3.664 3.960 0.000 0.000 0.217 565 G HA3 -0.296 3.664 3.960 0.000 0.000 0.217 565 G C 1.564 176.488 174.900 0.040 0.000 1.168 565 G CA 1.095 46.215 45.100 0.033 0.000 0.771 565 G HN 0.252 nan 8.290 nan 0.000 0.551 566 M N -0.338 119.287 119.600 0.042 0.000 2.065 566 M HA -0.115 4.365 4.480 0.000 0.000 0.259 566 M C 2.383 178.726 176.300 0.072 0.000 1.069 566 M CA 1.644 56.973 55.300 0.047 0.000 1.110 566 M CB -0.852 31.762 32.600 0.024 0.000 1.328 566 M HN 0.329 nan 8.290 nan 0.000 0.405 567 Y N 1.061 121.346 120.300 -0.025 0.000 2.224 567 Y HA -0.190 4.360 4.550 0.000 0.000 0.289 567 Y C 2.336 178.216 175.900 -0.033 0.000 1.146 567 Y CA 2.090 60.172 58.100 -0.030 0.000 1.182 567 Y CB -0.325 38.116 38.460 -0.031 0.000 0.983 567 Y HN 0.290 nan 8.280 nan 0.000 0.524 568 R N -0.704 119.826 120.500 0.049 0.000 2.152 568 R HA -0.147 4.193 4.340 0.000 0.000 0.232 568 R C 2.357 178.618 176.300 -0.066 0.000 1.117 568 R CA 1.752 57.836 56.100 -0.027 0.000 0.981 568 R CB -0.657 29.654 30.300 0.018 0.000 0.870 568 R HN 0.534 nan 8.270 nan 0.000 0.451 569 T N -1.366 113.160 114.554 -0.046 0.000 2.915 569 T HA -0.091 4.259 4.350 0.000 0.000 0.269 569 T C 1.856 176.517 174.700 -0.065 0.000 1.071 569 T CA 0.891 62.969 62.100 -0.037 0.000 1.132 569 T CB 0.031 68.884 68.868 -0.025 0.000 0.878 569 T HN -0.023 nan 8.240 nan 0.000 0.479 570 M N 1.001 120.511 119.600 -0.150 0.000 2.160 570 M HA 0.117 4.597 4.480 0.000 0.000 0.264 570 M C 2.578 178.749 176.300 -0.216 0.000 1.073 570 M CA 0.798 55.984 55.300 -0.191 0.000 1.142 570 M CB -1.437 30.987 32.600 -0.293 0.000 1.358 570 M HN 0.192 nan 8.290 nan 0.000 0.422 571 V N 1.492 121.191 119.914 -0.358 0.000 2.282 571 V HA -0.305 3.815 4.120 0.000 0.000 0.249 571 V C 2.229 178.365 176.094 0.070 0.000 1.057 571 V CA 2.313 64.468 62.300 -0.241 0.000 1.032 571 V CB -1.283 30.346 31.823 -0.323 0.000 0.645 571 V HN 0.480 nan 8.190 nan 0.000 0.447 572 N N 0.020 118.758 118.700 0.063 0.000 2.223 572 N HA -0.149 4.591 4.740 0.000 0.000 0.185 572 N C 1.915 177.523 175.510 0.164 0.000 1.016 572 N CA 1.221 54.360 53.050 0.147 0.000 0.863 572 N CB -0.202 38.325 38.487 0.066 0.000 0.983 572 N HN 0.406 nan 8.380 nan 0.000 0.429 573 R N -0.526 120.035 120.500 0.102 0.000 2.152 573 R HA 0.028 4.368 4.340 0.000 0.000 0.232 573 R C 1.675 178.086 176.300 0.185 0.000 1.117 573 R CA 1.143 57.309 56.100 0.110 0.000 0.981 573 R CB -0.170 30.172 30.300 0.070 0.000 0.870 573 R HN 0.215 nan 8.270 nan 0.000 0.451 574 A N -0.135 122.841 122.820 0.260 0.000 2.208 574 A HA -0.085 4.235 4.320 0.000 0.000 0.209 574 A C 0.444 178.285 177.584 0.427 0.000 1.161 574 A CA 0.020 52.326 52.037 0.448 0.000 0.782 574 A CB -0.163 18.981 19.000 0.240 0.000 0.816 574 A HN 0.330 nan 8.150 nan 0.000 0.477 575 Y N 2.000 122.373 120.300 0.121 0.000 2.623 575 Y HA 0.386 4.936 4.550 0.000 0.000 0.341 575 Y C 0.164 175.994 175.900 -0.117 0.000 1.292 575 Y CA -0.367 57.614 58.100 -0.198 0.000 1.840 575 Y CB -0.623 37.637 38.460 -0.332 0.000 1.865 575 Y HN 0.185 nan 8.280 nan 0.000 0.440 576 R N 2.874 123.172 120.500 -0.337 0.000 2.628 576 R HA 0.272 4.612 4.340 0.000 0.000 0.288 576 R C -1.612 174.450 176.300 -0.398 0.000 0.980 576 R CA -1.071 54.850 56.100 -0.299 0.000 0.891 576 R CB 1.630 31.781 30.300 -0.249 0.000 1.188 576 R HN 0.319 nan 8.270 nan 0.000 0.450 577 Y N 1.455 121.556 120.300 -0.331 0.000 2.436 577 Y HA 0.161 4.711 4.550 0.000 0.000 0.336 577 Y C 0.188 175.933 175.900 -0.259 0.000 1.049 577 Y CA 0.061 58.010 58.100 -0.252 0.000 1.294 577 Y CB 1.041 39.375 38.460 -0.209 0.000 1.179 577 Y HN 0.178 nan 8.280 nan 0.000 0.520 578 V N 5.099 124.906 119.914 -0.178 0.000 2.409 578 V HA 0.286 4.406 4.120 0.000 0.000 0.291 578 V C -0.361 175.549 176.094 -0.307 0.000 1.020 578 V CA -1.258 60.825 62.300 -0.361 0.000 0.848 578 V CB 1.545 33.028 31.823 -0.567 0.000 0.990 578 V HN 0.465 nan 8.190 nan 0.000 0.430 579 K N 4.539 124.760 120.400 -0.299 0.000 2.227 579 K HA 0.482 4.802 4.320 0.000 0.000 0.280 579 K C -1.384 175.058 176.600 -0.263 0.000 1.041 579 K CA -0.033 56.153 56.287 -0.168 0.000 0.905 579 K CB 0.427 32.874 32.500 -0.088 0.000 1.068 579 K HN 0.481 nan 8.250 nan 0.000 0.470 580 Y N 1.818 122.150 120.300 0.054 0.000 2.487 580 Y HA 0.396 4.946 4.550 0.000 0.000 0.337 580 Y C 1.215 177.148 175.900 0.055 0.000 1.076 580 Y CA -0.442 57.697 58.100 0.065 0.000 1.115 580 Y CB 1.971 40.488 38.460 0.095 0.000 1.235 580 Y HN 0.727 nan 8.280 nan 0.000 0.468 581 A N 1.275 124.236 122.820 0.235 0.000 2.070 581 A HA -0.058 4.262 4.320 0.000 0.000 0.220 581 A C 2.073 179.737 177.584 0.133 0.000 1.159 581 A CA 1.813 53.938 52.037 0.147 0.000 0.656 581 A CB -1.097 17.978 19.000 0.125 0.000 0.800 581 A HN 1.010 nan 8.150 nan 0.000 0.453 582 G N -1.790 107.101 108.800 0.151 0.000 2.985 582 G HA2 0.448 4.408 3.960 0.000 0.000 0.209 582 G HA3 0.448 4.408 3.960 0.000 0.000 0.209 582 G C 0.290 175.250 174.900 0.100 0.000 1.165 582 G CA 0.838 45.999 45.100 0.102 0.000 0.776 582 G HN 1.009 nan 8.290 nan 0.000 0.541 583 A N -0.434 122.464 122.820 0.130 0.000 2.520 583 A HA 0.608 4.928 4.320 0.000 0.000 0.298 583 A C 0.894 178.544 177.584 0.110 0.000 1.051 583 A CA 0.346 52.452 52.037 0.115 0.000 0.690 583 A CB 0.886 19.967 19.000 0.135 0.000 1.281 583 A HN 0.382 nan 8.150 nan 0.000 0.402 584 S N 1.076 116.826 115.700 0.085 0.000 2.436 584 S HA 0.022 4.492 4.470 0.000 0.000 0.228 584 S C 0.447 175.090 174.600 0.072 0.000 1.014 584 S CA 0.546 58.788 58.200 0.069 0.000 0.950 584 S CB -0.177 63.055 63.200 0.052 0.000 0.784 584 S HN 0.624 nan 8.310 nan 0.000 0.504 585 N N 2.327 121.080 118.700 0.088 0.000 2.469 585 N HA 0.544 5.284 4.740 0.000 0.000 0.253 585 N C -0.690 174.902 175.510 0.136 0.000 0.970 585 N CA -0.038 53.069 53.050 0.095 0.000 0.940 585 N CB 1.602 40.141 38.487 0.087 0.000 1.128 585 N HN 0.402 nan 8.380 nan 0.000 0.503 586 A N 2.388 125.293 122.820 0.143 0.000 2.498 586 A HA 0.132 4.452 4.320 0.000 0.000 0.239 586 A C 0.339 178.098 177.584 0.291 0.000 1.068 586 A CA 0.233 52.389 52.037 0.198 0.000 0.766 586 A CB 0.412 19.515 19.000 0.171 0.000 1.003 586 A HN 0.515 nan 8.150 nan 0.000 0.497 587 Q N 0.716 120.623 119.800 0.179 0.000 2.496 587 Q HA 0.495 4.835 4.340 0.000 0.000 0.286 587 Q C -2.702 173.062 176.000 -0.394 0.000 1.103 587 Q CA -2.159 53.636 55.803 -0.013 0.000 0.813 587 Q CB 0.636 29.423 28.738 0.082 0.000 1.444 587 Q HN 0.420 nan 8.270 nan 0.000 0.443 588 P HA -0.073 nan 4.420 nan 0.000 0.266 588 P C -0.556 176.686 177.300 -0.097 0.000 1.195 588 P CA -0.090 62.575 63.100 -0.726 0.000 0.768 588 P CB 0.317 31.617 31.700 -0.668 0.000 0.838 589 W N 6.075 127.236 121.300 -0.232 0.000 2.343 589 W HA -0.069 4.591 4.660 0.000 0.000 0.337 589 W C 1.284 177.867 176.519 0.107 0.000 1.320 589 W CA -0.760 56.580 57.345 -0.009 0.000 1.290 589 W CB -0.223 29.180 29.460 -0.096 0.000 1.206 589 W HN 0.598 nan 8.180 nan 0.000 0.565 590 W N 5.506 127.024 121.300 0.364 0.000 2.364 590 W HA -0.268 4.392 4.660 0.000 0.000 0.281 590 W C 1.421 177.978 176.519 0.064 0.000 1.219 590 W CA 0.997 58.471 57.345 0.214 0.000 1.220 590 W CB -1.716 27.899 29.460 0.259 0.000 1.127 590 W HN 0.430 nan 8.180 nan 0.000 0.556 591 F N 1.549 120.555 119.950 -1.575 0.000 2.293 591 F HA -0.148 4.379 4.527 0.000 0.000 0.300 591 F C 2.636 178.001 175.800 -0.725 0.000 1.086 591 F CA 1.203 58.186 58.000 -1.695 0.000 1.375 591 F CB -1.193 36.179 39.000 -2.713 0.000 1.045 591 F HN -0.082 nan 8.300 nan 0.000 0.516 592 Y N 1.027 121.009 120.300 -0.530 0.000 2.114 592 Y HA -0.366 4.184 4.550 0.000 0.000 0.282 592 Y C 2.696 178.426 175.900 -0.283 0.000 1.165 592 Y CA 2.587 60.515 58.100 -0.285 0.000 1.148 592 Y CB -0.892 37.554 38.460 -0.023 0.000 0.972 592 Y HN 0.272 nan 8.280 nan 0.000 0.504 593 Q N -0.518 119.154 119.800 -0.214 0.000 2.084 593 Q HA -0.211 4.129 4.340 0.000 0.000 0.202 593 Q C 2.211 177.990 176.000 -0.368 0.000 0.978 593 Q CA 1.764 57.299 55.803 -0.446 0.000 0.844 593 Q CB -0.339 28.009 28.738 -0.650 0.000 0.898 593 Q HN 0.564 nan 8.270 nan 0.000 0.426 594 L N 0.390 121.578 121.223 -0.058 0.000 2.017 594 L HA -0.145 4.195 4.340 0.000 0.000 0.208 594 L C 2.005 178.766 176.870 -0.182 0.000 1.073 594 L CA 1.591 56.518 54.840 0.144 0.000 0.745 594 L CB -0.512 41.708 42.059 0.268 0.000 0.894 594 L HN 0.315 nan 8.230 nan 0.000 0.432 595 L N -0.541 120.359 121.223 -0.539 0.000 2.042 595 L HA -0.203 4.137 4.340 0.000 0.000 0.210 595 L C 2.521 179.295 176.870 -0.161 0.000 1.076 595 L CA 1.257 55.854 54.840 -0.405 0.000 0.749 595 L CB -0.891 40.786 42.059 -0.638 0.000 0.893 595 L HN 0.382 nan 8.230 nan 0.000 0.432 596 A N -0.679 121.951 122.820 -0.318 0.000 2.168 596 A HA -0.181 4.139 4.320 0.000 0.000 0.215 596 A C 2.087 179.604 177.584 -0.112 0.000 1.152 596 A CA 1.260 53.148 52.037 -0.247 0.000 0.716 596 A CB -0.309 18.398 19.000 -0.488 0.000 0.794 596 A HN 0.350 nan 8.150 nan 0.000 0.465 597 E N 0.248 120.416 120.200 -0.054 0.000 2.358 597 E HA 0.252 4.602 4.350 0.000 0.000 0.195 597 E C 0.902 177.536 176.600 0.057 0.000 1.010 597 E CA 0.521 56.951 56.400 0.050 0.000 0.856 597 E CB -0.322 29.504 29.700 0.210 0.000 0.795 597 E HN 0.534 nan 8.360 nan 0.000 0.504 598 A N 1.471 124.314 122.820 0.038 0.000 2.520 598 A HA 0.113 4.433 4.320 0.000 0.000 0.235 598 A C 0.246 177.809 177.584 -0.034 0.000 1.065 598 A CA 0.086 52.124 52.037 0.001 0.000 0.764 598 A CB -0.021 18.931 19.000 -0.079 0.000 1.002 598 A HN 0.418 nan 8.150 nan 0.000 0.502 599 R N 1.444 121.928 120.500 -0.027 0.000 2.738 599 R HA 0.226 4.566 4.340 0.000 0.000 0.268 599 R C 0.556 176.801 176.300 -0.091 0.000 1.062 599 R CA 0.319 56.398 56.100 -0.036 0.000 1.158 599 R CB -0.196 30.097 30.300 -0.012 0.000 1.046 599 R HN 0.544 nan 8.270 nan 0.000 0.493 600 T N 1.178 115.692 114.554 -0.067 0.000 2.701 600 T HA -0.063 4.287 4.350 0.000 0.000 0.263 600 T C 0.997 175.646 174.700 -0.085 0.000 1.040 600 T CA 1.457 63.514 62.100 -0.072 0.000 1.147 600 T CB -0.248 68.595 68.868 -0.041 0.000 0.865 600 T HN 0.769 nan 8.240 nan 0.000 0.426 601 A N 1.511 124.287 122.820 -0.074 0.000 2.466 601 A HA 0.324 4.644 4.320 0.000 0.000 0.238 601 A C 0.584 178.116 177.584 -0.086 0.000 1.074 601 A CA -0.110 51.880 52.037 -0.079 0.000 0.774 601 A CB -0.189 18.758 19.000 -0.089 0.000 1.015 601 A HN 0.595 nan 8.150 nan 0.000 0.498 602 D N -0.717 119.647 120.400 -0.060 0.000 3.068 602 D HA -0.134 4.506 4.640 0.000 0.000 0.218 602 D C -0.054 176.297 176.300 0.084 0.000 1.145 602 D CA 1.296 55.292 54.000 -0.007 0.000 0.896 602 D CB -1.240 39.511 40.800 -0.081 0.000 1.105 602 D HN 0.755 nan 8.370 nan 0.000 0.423 603 R N -0.186 120.305 120.500 -0.014 0.000 2.543 603 R HA 0.583 4.923 4.340 0.000 0.000 0.277 603 R C 0.135 176.523 176.300 0.148 0.000 1.074 603 R CA 0.086 56.148 56.100 -0.063 0.000 1.076 603 R CB 0.653 30.816 30.300 -0.229 0.000 0.993 603 R HN 0.160 nan 8.270 nan 0.000 0.459 604 F N 1.896 121.837 119.950 -0.014 0.000 2.641 604 F HA 0.485 5.012 4.527 0.000 0.000 0.308 604 F C -1.725 174.065 175.800 -0.016 0.000 1.105 604 F CA -0.901 57.112 58.000 0.021 0.000 0.964 604 F CB 1.583 40.657 39.000 0.124 0.000 1.294 604 F HN 0.250 nan 8.300 nan 0.000 0.442 605 V N 6.316 125.888 119.914 -0.570 0.000 2.841 605 V HA 0.649 4.769 4.120 0.000 0.000 0.310 605 V C -2.178 173.341 176.094 -0.958 0.000 1.090 605 V CA -0.658 61.267 62.300 -0.624 0.000 0.930 605 V CB 2.071 33.455 31.823 -0.732 0.000 1.014 605 V HN 0.707 nan 8.190 nan 0.000 0.425 606 F N 4.633 124.170 119.950 -0.689 0.000 2.493 606 F HA 0.648 5.175 4.527 0.000 0.000 0.329 606 F C -0.567 174.946 175.800 -0.478 0.000 1.126 606 F CA -0.512 57.132 58.000 -0.595 0.000 0.937 606 F CB 1.802 40.565 39.000 -0.394 0.000 1.146 606 F HN 0.601 nan 8.300 nan 0.000 0.442 607 D N 4.836 124.642 120.400 -0.990 0.000 2.454 607 D HA 0.149 4.789 4.640 0.000 0.000 0.225 607 D C 0.248 176.275 176.300 -0.455 0.000 1.081 607 D CA -0.290 53.438 54.000 -0.453 0.000 0.864 607 D CB 0.463 41.204 40.800 -0.098 0.000 1.040 607 D HN 0.570 nan 8.370 nan 0.000 0.517 608 W N 1.984 123.320 121.300 0.060 0.000 2.392 608 W HA -0.132 4.528 4.660 0.000 0.000 0.279 608 W C 2.182 178.737 176.519 0.060 0.000 1.225 608 W CA 0.846 58.291 57.345 0.166 0.000 1.233 608 W CB -0.210 29.389 29.460 0.231 0.000 1.122 608 W HN 0.372 nan 8.180 nan 0.000 0.561 609 T N -1.091 113.588 114.554 0.207 0.000 2.788 609 T HA -0.197 4.153 4.350 0.000 0.000 0.268 609 T C 1.667 176.406 174.700 0.064 0.000 1.044 609 T CA 1.975 64.150 62.100 0.124 0.000 1.139 609 T CB -0.704 68.235 68.868 0.118 0.000 0.867 609 T HN 0.273 nan 8.240 nan 0.000 0.454 610 T N -0.892 113.675 114.554 0.022 0.000 3.086 610 T HA 0.188 4.538 4.350 0.000 0.000 0.250 610 T C 0.628 175.305 174.700 -0.038 0.000 1.074 610 T CA -0.443 61.651 62.100 -0.010 0.000 0.988 610 T CB -0.320 68.563 68.868 0.025 0.000 0.988 610 T HN 0.179 nan 8.240 nan 0.000 0.530 611 N N 1.389 120.067 118.700 -0.036 0.000 2.399 611 N HA 0.158 4.898 4.740 0.000 0.000 0.250 611 N C 0.984 176.563 175.510 0.114 0.000 1.272 611 N CA -0.179 52.911 53.050 0.066 0.000 0.928 611 N CB 0.674 39.309 38.487 0.246 0.000 1.158 611 N HN 0.082 nan 8.380 nan 0.000 0.463 612 K N -0.522 119.955 120.400 0.128 0.000 2.442 612 K HA -0.086 4.234 4.320 0.000 0.000 0.198 612 K C 1.274 177.930 176.600 0.093 0.000 1.042 612 K CA 1.306 57.651 56.287 0.096 0.000 0.958 612 K CB -0.200 32.355 32.500 0.092 0.000 0.766 612 K HN 0.748 nan 8.250 nan 0.000 0.474 613 T N -1.542 113.099 114.554 0.145 0.000 3.007 613 T HA 0.023 4.373 4.350 0.000 0.000 0.270 613 T C 1.142 175.855 174.700 0.022 0.000 1.107 613 T CA 0.557 62.712 62.100 0.093 0.000 1.118 613 T CB -0.260 68.710 68.868 0.171 0.000 0.889 613 T HN 0.210 nan 8.240 nan 0.000 0.506 614 A N 0.129 122.983 122.820 0.056 0.000 2.869 614 A HA 0.309 4.629 4.320 0.000 0.000 0.280 614 A C 1.066 178.646 177.584 -0.007 0.000 1.458 614 A CA 0.787 52.831 52.037 0.011 0.000 0.776 614 A CB -1.876 17.110 19.000 -0.023 0.000 1.028 614 A HN 2.230 nan 8.150 nan 0.000 0.547 615 G N -3.377 105.466 108.800 0.072 0.000 2.347 615 G HA2 0.495 4.455 3.960 0.000 0.000 0.341 615 G HA3 0.495 4.455 3.960 0.000 0.000 0.341 615 G C 0.871 175.820 174.900 0.082 0.000 1.287 615 G CA 0.746 45.878 45.100 0.053 0.000 0.984 615 G HN 1.766 nan 8.290 nan 0.000 0.526 616 G N -1.077 107.676 108.800 -0.079 0.000 2.437 616 G HA2 0.623 4.583 3.960 0.000 0.000 0.212 616 G HA3 0.623 4.583 3.960 0.000 0.000 0.212 616 G C 0.418 175.235 174.900 -0.137 0.000 1.174 616 G CA 1.664 46.644 45.100 -0.201 0.000 0.811 616 G HN 1.848 nan 8.290 nan 0.000 0.537 617 F N -2.656 117.201 119.950 -0.154 0.000 2.793 617 F HA 0.504 5.031 4.527 0.000 0.000 0.316 617 F C -0.768 174.965 175.800 -0.113 0.000 1.147 617 F CA -1.891 56.004 58.000 -0.175 0.000 0.930 617 F CB 0.939 39.790 39.000 -0.248 0.000 1.277 617 F HN -0.055 nan 8.300 nan 0.000 0.443 618 K N 2.179 122.686 120.400 0.178 0.000 2.368 618 K HA 0.638 4.958 4.320 0.000 0.000 0.282 618 K C -1.618 175.093 176.600 0.184 0.000 1.035 618 K CA -0.247 56.130 56.287 0.151 0.000 0.973 618 K CB 0.530 33.096 32.500 0.111 0.000 0.957 618 K HN 0.771 nan 8.250 nan 0.000 0.474 619 L N 3.790 125.123 121.223 0.183 0.000 2.410 619 L HA 0.283 4.623 4.340 0.000 0.000 0.270 619 L C -0.993 175.988 176.870 0.185 0.000 0.983 619 L CA -1.157 53.789 54.840 0.177 0.000 0.822 619 L CB 2.095 44.233 42.059 0.131 0.000 1.285 619 L HN 0.664 nan 8.230 nan 0.000 0.409 620 D N 3.719 124.193 120.400 0.123 0.000 2.312 620 D HA 0.326 4.966 4.640 0.000 0.000 0.252 620 D C 0.297 176.625 176.300 0.047 0.000 1.150 620 D CA -0.154 53.907 54.000 0.101 0.000 0.870 620 D CB 1.107 41.984 40.800 0.129 0.000 1.153 620 D HN 0.171 nan 8.370 nan 0.000 0.457 621 M N 0.625 120.225 119.600 0.000 0.000 2.103 621 M HA 0.116 4.596 4.480 0.000 0.000 0.291 621 M C 1.046 177.358 176.300 0.020 0.000 1.216 621 M CA -0.342 54.935 55.300 -0.038 0.000 1.132 621 M CB -0.286 32.261 32.600 -0.090 0.000 1.396 621 M HN 0.344 nan 8.290 nan 0.000 0.479 622 T N -1.404 113.158 114.554 0.012 0.000 2.934 622 T HA 0.351 4.701 4.350 0.000 0.000 0.306 622 T C 1.195 175.935 174.700 0.066 0.000 1.042 622 T CA 0.291 62.411 62.100 0.033 0.000 1.145 622 T CB 0.298 69.175 68.868 0.015 0.000 0.982 622 T HN 0.989 nan 8.240 nan 0.000 0.544 623 G N 2.668 111.539 108.800 0.118 0.000 2.267 623 G HA2 -0.293 3.667 3.960 0.000 0.000 0.257 623 G HA3 -0.293 3.667 3.960 0.000 0.000 0.257 623 G C 0.671 175.736 174.900 0.275 0.000 0.998 623 G CA 0.408 45.637 45.100 0.214 0.000 0.620 623 G HN 0.719 nan 8.290 nan 0.000 0.529 624 D N -0.293 120.208 120.400 0.168 0.000 2.312 624 D HA 0.073 4.713 4.640 0.000 0.000 0.211 624 D C 1.679 178.065 176.300 0.143 0.000 0.964 624 D CA 1.128 55.213 54.000 0.141 0.000 0.877 624 D CB -0.350 40.508 40.800 0.096 0.000 0.924 624 D HN 0.674 nan 8.370 nan 0.000 0.515 625 H N 0.625 119.719 119.070 0.040 0.000 2.357 625 H HA -0.184 4.372 4.556 0.000 0.000 0.296 625 H C 1.730 177.022 175.328 -0.060 0.000 1.108 625 H CA 1.932 57.957 56.048 -0.037 0.000 1.273 625 H CB -0.003 29.626 29.762 -0.222 0.000 1.367 625 H HN 0.309 nan 8.280 nan 0.000 0.498 626 H N -0.675 118.441 119.070 0.078 0.000 2.456 626 H HA -0.081 4.475 4.556 0.000 0.000 0.296 626 H C 2.009 177.339 175.328 0.004 0.000 1.079 626 H CA 1.411 57.477 56.048 0.031 0.000 1.322 626 H CB 0.194 30.003 29.762 0.079 0.000 1.388 626 H HN 0.509 nan 8.280 nan 0.000 0.538 627 Q N 0.363 120.234 119.800 0.119 0.000 2.061 627 Q HA -0.066 4.274 4.340 0.000 0.000 0.195 627 Q C 2.706 178.732 176.000 0.045 0.000 0.967 627 Q CA 1.507 57.354 55.803 0.075 0.000 0.829 627 Q CB -0.112 28.664 28.738 0.062 0.000 0.900 627 Q HN 0.433 nan 8.270 nan 0.000 0.450 628 S N 0.473 116.184 115.700 0.018 0.000 2.383 628 S HA -0.161 4.309 4.470 0.000 0.000 0.227 628 S C 1.785 176.381 174.600 -0.006 0.000 1.026 628 S CA 1.312 59.512 58.200 -0.001 0.000 0.981 628 S CB -0.496 62.696 63.200 -0.013 0.000 0.818 628 S HN 0.392 nan 8.310 nan 0.000 0.472 629 N N 1.018 119.701 118.700 -0.027 0.000 2.244 629 N HA -0.089 4.651 4.740 0.000 0.000 0.183 629 N C 1.840 177.466 175.510 0.193 0.000 1.016 629 N CA 1.250 54.366 53.050 0.109 0.000 0.866 629 N CB -0.282 38.035 38.487 -0.284 0.000 0.980 629 N HN 0.412 nan 8.380 nan 0.000 0.430 630 L N 1.513 122.810 121.223 0.122 0.000 2.012 630 L HA -0.160 4.180 4.340 0.000 0.000 0.210 630 L C 2.485 179.480 176.870 0.209 0.000 1.073 630 L CA 1.626 56.561 54.840 0.158 0.000 0.748 630 L CB -0.961 41.172 42.059 0.123 0.000 0.891 630 L HN 0.226 nan 8.230 nan 0.000 0.431 631 C N -0.933 118.480 119.300 0.189 0.000 2.429 631 C HA -0.166 4.294 4.460 0.000 0.000 0.277 631 C C 2.564 177.760 174.990 0.343 0.000 1.262 631 C CA 0.750 59.899 59.018 0.219 0.000 1.733 631 C CB -1.435 26.454 27.740 0.247 0.000 2.010 631 C HN 0.693 nan 8.230 nan 0.000 0.483 632 F N 1.994 122.037 119.950 0.154 0.000 2.171 632 F HA -0.108 4.419 4.527 0.000 0.000 0.300 632 F C 2.393 178.409 175.800 0.361 0.000 1.090 632 F CA 1.527 59.639 58.000 0.187 0.000 1.293 632 F CB -0.348 38.673 39.000 0.036 0.000 1.013 632 F HN 0.146 nan 8.300 nan 0.000 0.486 633 R N -1.600 119.052 120.500 0.254 0.000 2.317 633 R HA -0.066 4.274 4.340 0.000 0.000 0.208 633 R C 1.782 178.090 176.300 0.014 0.000 0.914 633 R CA 0.389 56.525 56.100 0.060 0.000 1.060 633 R CB -0.603 29.760 30.300 0.104 0.000 1.015 633 R HN 0.411 nan 8.270 nan 0.000 0.498 634 Y N 2.454 122.826 120.300 0.120 0.000 2.193 634 Y HA -0.306 4.244 4.550 0.000 0.000 0.285 634 Y C 2.477 178.476 175.900 0.165 0.000 1.166 634 Y CA 2.036 60.219 58.100 0.138 0.000 1.181 634 Y CB -0.231 38.316 38.460 0.145 0.000 0.976 634 Y HN 0.235 nan 8.280 nan 0.000 0.520 635 H N -1.341 117.729 119.070 -0.001 0.000 2.543 635 H HA -0.069 4.487 4.556 0.000 0.000 0.286 635 H C 1.745 176.943 175.328 -0.217 0.000 1.037 635 H CA 1.428 57.432 56.048 -0.074 0.000 1.250 635 H CB -1.620 28.209 29.762 0.111 0.000 1.373 635 H HN 0.476 nan 8.280 nan 0.000 0.580 636 T N -0.233 113.942 114.554 -0.632 0.000 3.098 636 T HA -0.181 4.169 4.350 0.000 0.000 0.266 636 T C 1.612 176.173 174.700 -0.232 0.000 1.145 636 T CA 0.942 62.799 62.100 -0.405 0.000 1.092 636 T CB -0.946 67.715 68.868 -0.345 0.000 0.908 636 T HN 0.761 nan 8.240 nan 0.000 0.526 637 H N 0.919 119.849 119.070 -0.234 0.000 2.518 637 H HA 0.339 4.895 4.556 0.000 0.000 0.289 637 H C 2.069 177.345 175.328 -0.087 0.000 1.051 637 H CA 0.771 56.703 56.048 -0.194 0.000 1.280 637 H CB -0.811 28.744 29.762 -0.345 0.000 1.380 637 H HN 0.467 nan 8.280 nan 0.000 0.566 638 A N 1.263 123.933 122.820 -0.250 0.000 2.121 638 A HA 0.022 4.342 4.320 0.000 0.000 0.218 638 A C 2.202 179.783 177.584 -0.005 0.000 1.154 638 A CA 0.953 52.963 52.037 -0.045 0.000 0.679 638 A CB -0.768 18.195 19.000 -0.062 0.000 0.795 638 A HN 0.503 nan 8.150 nan 0.000 0.458 639 L N -0.874 120.328 121.223 -0.036 0.000 2.362 639 L HA -0.038 4.302 4.340 0.000 0.000 0.219 639 L C 1.504 178.376 176.870 0.004 0.000 1.134 639 L CA 0.460 55.288 54.840 -0.020 0.000 0.807 639 L CB -0.337 41.700 42.059 -0.037 0.000 0.927 639 L HN 0.390 nan 8.230 nan 0.000 0.447 640 A N -0.109 122.725 122.820 0.023 0.000 2.506 640 A HA 0.557 4.877 4.320 0.000 0.000 0.320 640 A C 1.224 178.829 177.584 0.036 0.000 1.424 640 A CA 0.181 52.233 52.037 0.025 0.000 1.044 640 A CB 0.550 19.564 19.000 0.023 0.000 1.140 640 A HN 0.248 nan 8.150 nan 0.000 0.538 641 A N 1.754 124.590 122.820 0.028 0.000 2.015 641 A HA 0.001 4.321 4.320 0.000 0.000 0.219 641 A C 2.017 179.616 177.584 0.025 0.000 1.163 641 A CA 1.885 53.942 52.037 0.034 0.000 0.646 641 A CB -0.215 18.801 19.000 0.027 0.000 0.806 641 A HN 0.668 nan 8.150 nan 0.000 0.448 642 S N -1.122 114.583 115.700 0.009 0.000 2.607 642 S HA 0.171 4.641 4.470 0.000 0.000 0.224 642 S C 0.220 174.802 174.600 -0.030 0.000 0.969 642 S CA -0.029 58.166 58.200 -0.008 0.000 0.927 642 S CB -0.312 62.882 63.200 -0.009 0.000 0.772 642 S HN 0.415 nan 8.310 nan 0.000 0.533 643 L N 2.351 123.559 121.223 -0.025 0.000 2.287 643 L HA 0.499 4.840 4.340 0.000 0.000 0.287 643 L C -0.803 176.023 176.870 -0.073 0.000 1.022 643 L CA -0.254 54.549 54.840 -0.062 0.000 0.814 643 L CB 1.407 43.444 42.059 -0.038 0.000 1.217 643 L HN -0.214 nan 8.230 nan 0.000 0.420 644 D N 3.227 123.529 120.400 -0.163 0.000 2.772 644 D HA 0.163 4.803 4.640 0.000 0.000 0.273 644 D C -0.790 175.418 176.300 -0.153 0.000 1.233 644 D CA -0.160 53.776 54.000 -0.106 0.000 0.984 644 D CB -0.022 40.701 40.800 -0.127 0.000 1.000 644 D HN 0.433 nan 8.370 nan 0.000 0.514 645 N N 1.367 120.046 118.700 -0.036 0.000 2.425 645 N HA 0.168 4.908 4.740 0.000 0.000 0.268 645 N C 0.343 176.027 175.510 0.291 0.000 0.991 645 N CA -0.367 52.687 53.050 0.006 0.000 0.931 645 N CB 0.822 39.091 38.487 -0.363 0.000 1.130 645 N HN 0.051 nan 8.380 nan 0.000 0.493 646 R N 2.644 123.456 120.500 0.519 0.000 2.362 646 R HA 0.215 4.555 4.340 0.000 0.000 0.227 646 R C -0.442 175.895 176.300 0.063 0.000 0.905 646 R CA 0.022 56.328 56.100 0.343 0.000 1.067 646 R CB -0.291 30.058 30.300 0.081 0.000 1.078 646 R HN 0.424 nan 8.270 nan 0.000 0.516 647 F N 0.026 119.986 119.950 0.017 0.000 2.469 647 F HA 0.449 4.976 4.527 0.000 0.000 0.332 647 F C 0.085 175.739 175.800 -0.244 0.000 1.103 647 F CA -0.865 57.133 58.000 -0.005 0.000 0.979 647 F CB 1.147 40.125 39.000 -0.036 0.000 1.137 647 F HN -0.254 nan 8.300 nan 0.000 0.463 648 F N 3.086 123.334 119.950 0.496 0.000 2.593 648 F HA 0.666 5.193 4.527 0.000 0.000 0.320 648 F C -0.121 175.864 175.800 0.309 0.000 1.060 648 F CA -1.297 56.981 58.000 0.464 0.000 0.940 648 F CB 1.856 41.009 39.000 0.256 0.000 1.268 648 F HN 0.238 nan 8.300 nan 0.000 0.475 649 I N 0.333 121.145 120.570 0.403 0.000 2.569 649 I HA 0.950 5.120 4.170 0.000 0.000 0.296 649 I C -1.127 175.177 176.117 0.311 0.000 1.028 649 I CA -0.912 60.486 61.300 0.163 0.000 1.082 649 I CB 2.131 39.913 38.000 -0.363 0.000 1.264 649 I HN 0.616 nan 8.210 nan 0.000 0.429 650 A N 4.192 127.234 122.820 0.369 0.000 2.768 650 A HA 0.705 5.025 4.320 0.000 0.000 0.299 650 A C -0.587 177.158 177.584 0.269 0.000 1.171 650 A CA -0.257 51.965 52.037 0.309 0.000 0.759 650 A CB 0.744 19.873 19.000 0.214 0.000 1.267 650 A HN 0.874 nan 8.150 nan 0.000 0.421 651 S N 0.843 116.675 115.700 0.220 0.000 2.587 651 S HA 0.455 4.925 4.470 0.000 0.000 0.269 651 S C 0.240 174.757 174.600 -0.139 0.000 1.154 651 S CA 0.245 58.423 58.200 -0.037 0.000 0.824 651 S CB 1.099 64.176 63.200 -0.205 0.000 1.118 651 S HN 0.816 nan 8.310 nan 0.000 0.462 652 D N 1.768 122.075 120.400 -0.155 0.000 2.263 652 D HA -0.053 4.587 4.640 0.000 0.000 0.208 652 D C 1.420 177.604 176.300 -0.194 0.000 0.971 652 D CA 1.462 55.377 54.000 -0.142 0.000 0.867 652 D CB -0.542 40.184 40.800 -0.124 0.000 0.929 652 D HN 0.266 nan 8.370 nan 0.000 0.492 653 S N -0.547 114.932 115.700 -0.368 0.000 2.419 653 S HA -0.143 4.327 4.470 0.000 0.000 0.233 653 S C 0.275 174.605 174.600 -0.449 0.000 1.016 653 S CA 0.610 58.555 58.200 -0.426 0.000 0.974 653 S CB -0.357 62.556 63.200 -0.477 0.000 0.786 653 S HN 0.408 nan 8.310 nan 0.000 0.492 654 Y N 1.642 121.982 120.300 0.066 0.000 2.801 654 Y HA 0.477 5.027 4.550 0.000 0.000 0.318 654 Y C 0.767 176.737 175.900 0.116 0.000 1.073 654 Y CA -1.223 56.928 58.100 0.084 0.000 1.360 654 Y CB -0.582 37.951 38.460 0.122 0.000 1.220 654 Y HN 0.149 nan 8.280 nan 0.000 0.536 655 S N -2.026 113.671 115.700 -0.005 0.000 2.732 655 S HA 0.421 4.891 4.470 0.000 0.000 0.293 655 S C -0.293 174.018 174.600 -0.482 0.000 1.159 655 S CA -0.776 57.339 58.200 -0.141 0.000 0.847 655 S CB 1.425 64.582 63.200 -0.072 0.000 1.169 655 S HN 0.293 nan 8.310 nan 0.000 0.501 656 H N 0.450 119.299 119.070 -0.368 0.000 2.524 656 H HA 0.462 5.018 4.556 0.000 0.000 0.299 656 H C -0.552 174.624 175.328 -0.252 0.000 1.074 656 H CA 0.085 55.950 56.048 -0.305 0.000 1.115 656 H CB -0.208 29.317 29.762 -0.395 0.000 1.522 656 H HN 0.358 nan 8.280 nan 0.000 0.543 657 L N 0.279 121.418 121.223 -0.140 0.000 2.804 657 L HA 0.284 4.624 4.340 0.000 0.000 0.294 657 L C 0.844 177.773 176.870 0.099 0.000 1.355 657 L CA -0.623 54.200 54.840 -0.029 0.000 0.749 657 L CB 1.169 43.063 42.059 -0.274 0.000 1.103 657 L HN 0.147 nan 8.230 nan 0.000 0.542 658 G N -0.741 108.083 108.800 0.040 0.000 2.353 658 G HA2 0.355 4.315 3.960 0.000 0.000 0.239 658 G HA3 0.355 4.315 3.960 0.000 0.000 0.239 658 G C 1.069 175.868 174.900 -0.168 0.000 1.295 658 G CA 0.880 45.978 45.100 -0.003 0.000 0.884 658 G HN 0.680 nan 8.290 nan 0.000 0.537 659 G N 0.521 109.064 108.800 -0.428 0.000 2.141 659 G HA2 -0.214 3.746 3.960 0.000 0.000 0.242 659 G HA3 -0.214 3.746 3.960 0.000 0.000 0.242 659 G C -0.050 174.007 174.900 -1.405 0.000 0.982 659 G CA 0.311 44.603 45.100 -1.345 0.000 0.662 659 G HN 0.831 nan 8.290 nan 0.000 0.527 660 W N -0.792 120.366 121.300 -0.236 0.000 2.998 660 W HA 0.662 5.322 4.660 0.000 0.000 0.335 660 W C 1.238 177.686 176.519 -0.118 0.000 1.110 660 W CA -1.130 56.170 57.345 -0.075 0.000 1.230 660 W CB 0.737 30.280 29.460 0.137 0.000 1.405 660 W HN -0.073 nan 8.180 nan 0.000 0.493 661 L N 1.017 122.304 121.223 0.106 0.000 2.089 661 L HA -0.271 4.069 4.340 0.000 0.000 0.213 661 L C 2.357 179.074 176.870 -0.254 0.000 1.079 661 L CA 1.700 56.382 54.840 -0.263 0.000 0.758 661 L CB -0.384 41.517 42.059 -0.262 0.000 0.891 661 L HN 0.605 nan 8.230 nan 0.000 0.433 662 E N 0.539 120.857 120.200 0.197 0.000 2.118 662 E HA -0.180 4.170 4.350 0.000 0.000 0.195 662 E C 2.113 178.749 176.600 0.061 0.000 0.992 662 E CA 1.501 58.052 56.400 0.252 0.000 0.804 662 E CB -0.323 29.576 29.700 0.332 0.000 0.741 662 E HN 0.389 nan 8.360 nan 0.000 0.458 663 G N -0.067 108.735 108.800 0.005 0.000 2.402 663 G HA2 -0.183 3.777 3.960 0.000 0.000 0.216 663 G HA3 -0.183 3.777 3.960 0.000 0.000 0.216 663 G C 1.680 176.564 174.900 -0.026 0.000 1.162 663 G CA 0.835 45.900 45.100 -0.060 0.000 0.777 663 G HN 0.428 nan 8.290 nan 0.000 0.539 664 A N 0.540 123.303 122.820 -0.095 0.000 1.902 664 A HA 0.120 4.440 4.320 0.000 0.000 0.217 664 A C 2.129 179.764 177.584 0.084 0.000 1.181 664 A CA 1.355 53.340 52.037 -0.086 0.000 0.623 664 A CB -0.494 18.356 19.000 -0.251 0.000 0.818 664 A HN 0.251 nan 8.150 nan 0.000 0.443 665 F N -0.447 119.564 119.950 0.101 0.000 2.186 665 F HA -0.038 4.489 4.527 0.000 0.000 0.299 665 F C 2.456 178.385 175.800 0.215 0.000 1.090 665 F CA 0.847 58.958 58.000 0.186 0.000 1.307 665 F CB -0.920 38.264 39.000 0.307 0.000 1.019 665 F HN 0.123 nan 8.300 nan 0.000 0.489 666 M N -0.969 118.811 119.600 0.300 0.000 2.086 666 M HA -0.219 4.261 4.480 0.000 0.000 0.261 666 M C 2.528 179.002 176.300 0.291 0.000 1.067 666 M CA 1.892 57.303 55.300 0.185 0.000 1.116 666 M CB -0.665 31.793 32.600 -0.236 0.000 1.348 666 M HN 0.107 nan 8.290 nan 0.000 0.407 667 S N 0.180 116.013 115.700 0.222 0.000 2.368 667 S HA -0.120 4.350 4.470 0.000 0.000 0.225 667 S C 1.966 176.671 174.600 0.176 0.000 1.030 667 S CA 1.405 59.729 58.200 0.208 0.000 0.999 667 S CB -0.178 63.157 63.200 0.225 0.000 0.844 667 S HN 0.493 nan 8.310 nan 0.000 0.459 668 A N 1.001 123.945 122.820 0.206 0.000 1.902 668 A HA 0.008 4.328 4.320 0.000 0.000 0.217 668 A C 2.122 179.783 177.584 0.128 0.000 1.181 668 A CA 1.506 53.647 52.037 0.173 0.000 0.623 668 A CB -0.834 18.291 19.000 0.208 0.000 0.818 668 A HN 0.527 nan 8.150 nan 0.000 0.443 669 L N 0.402 121.739 121.223 0.190 0.000 2.046 669 L HA -0.191 4.149 4.340 0.000 0.000 0.208 669 L C 2.103 178.945 176.870 -0.047 0.000 1.077 669 L CA 1.891 56.801 54.840 0.115 0.000 0.747 669 L CB -0.656 41.536 42.059 0.222 0.000 0.896 669 L HN 0.355 nan 8.230 nan 0.000 0.432 670 N N -0.057 118.584 118.700 -0.098 0.000 2.036 670 N HA -0.220 4.520 4.740 0.000 0.000 0.195 670 N C 1.845 177.117 175.510 -0.397 0.000 1.037 670 N CA 1.773 54.507 53.050 -0.526 0.000 0.855 670 N CB -0.718 37.248 38.487 -0.869 0.000 1.033 670 N HN 0.460 nan 8.380 nan 0.000 0.423 671 A N 0.836 123.564 122.820 -0.152 0.000 1.883 671 A HA -0.127 4.193 4.320 0.000 0.000 0.217 671 A C 2.566 179.964 177.584 -0.311 0.000 1.186 671 A CA 1.882 53.891 52.037 -0.048 0.000 0.624 671 A CB -0.917 18.153 19.000 0.118 0.000 0.822 671 A HN 0.139 nan 8.150 nan 0.000 0.444 672 V N -0.286 119.495 119.914 -0.221 0.000 2.427 672 V HA -0.181 3.939 4.120 0.000 0.000 0.248 672 V C 3.033 178.922 176.094 -0.342 0.000 1.051 672 V CA 1.714 63.847 62.300 -0.279 0.000 1.048 672 V CB -1.306 30.428 31.823 -0.149 0.000 0.666 672 V HN 0.631 nan 8.190 nan 0.000 0.456 673 A N 0.871 123.533 122.820 -0.264 0.000 1.883 673 A HA -0.158 4.162 4.320 0.000 0.000 0.217 673 A C 2.440 179.852 177.584 -0.286 0.000 1.186 673 A CA 2.187 54.085 52.037 -0.232 0.000 0.624 673 A CB -1.333 17.571 19.000 -0.160 0.000 0.822 673 A HN 0.524 nan 8.150 nan 0.000 0.444 674 G N -0.399 108.201 108.800 -0.334 0.000 2.418 674 G HA2 -0.197 3.763 3.960 0.000 0.000 0.217 674 G HA3 -0.197 3.763 3.960 0.000 0.000 0.217 674 G C 1.605 175.986 174.900 -0.866 0.000 1.158 674 G CA 1.037 45.884 45.100 -0.423 0.000 0.771 674 G HN 0.531 nan 8.290 nan 0.000 0.545 675 L N 0.141 120.514 121.223 -1.417 0.000 2.046 675 L HA -0.019 4.321 4.340 0.000 0.000 0.208 675 L C 2.775 179.211 176.870 -0.724 0.000 1.077 675 L CA 1.145 55.238 54.840 -1.246 0.000 0.747 675 L CB -0.189 41.267 42.059 -1.006 0.000 0.896 675 L HN 0.243 nan 8.230 nan 0.000 0.432 676 I N -1.160 119.095 120.570 -0.525 0.000 2.163 676 I HA -0.308 3.862 4.170 0.000 0.000 0.243 676 I C 2.372 178.336 176.117 -0.255 0.000 1.085 676 I CA 1.400 62.485 61.300 -0.358 0.000 1.347 676 I CB -0.387 37.453 38.000 -0.266 0.000 1.044 676 I HN 0.088 nan 8.210 nan 0.000 0.408 677 V N 0.771 120.553 119.914 -0.219 0.000 2.343 677 V HA -0.283 3.837 4.120 0.000 0.000 0.247 677 V C 2.613 178.664 176.094 -0.072 0.000 1.051 677 V CA 2.021 64.248 62.300 -0.123 0.000 1.036 677 V CB -0.795 30.966 31.823 -0.102 0.000 0.654 677 V HN 0.388 nan 8.190 nan 0.000 0.451 678 R N 1.360 121.822 120.500 -0.063 0.000 2.073 678 R HA -0.105 4.235 4.340 0.000 0.000 0.234 678 R C 2.152 178.503 176.300 0.086 0.000 1.134 678 R CA 2.002 58.154 56.100 0.087 0.000 0.952 678 R CB -1.082 29.395 30.300 0.295 0.000 0.850 678 R HN 0.428 nan 8.270 nan 0.000 0.433 679 A N 0.361 123.112 122.820 -0.114 0.000 2.024 679 A HA -0.105 4.215 4.320 0.000 0.000 0.220 679 A C 1.372 179.021 177.584 0.107 0.000 1.164 679 A CA 1.647 53.710 52.037 0.043 0.000 0.643 679 A CB -0.452 18.433 19.000 -0.191 0.000 0.806 679 A HN 0.492 nan 8.150 nan 0.000 0.451 680 N N -0.337 118.377 118.700 0.023 0.000 2.295 680 N HA 0.086 4.826 4.740 0.000 0.000 0.221 680 N C -0.534 175.001 175.510 0.042 0.000 1.129 680 N CA 0.032 53.100 53.050 0.031 0.000 0.836 680 N CB 0.122 38.602 38.487 -0.011 0.000 1.040 680 N HN 0.393 nan 8.380 nan 0.000 0.494 681 R N -0.280 120.262 120.500 0.071 0.000 3.416 681 R HA -0.223 4.117 4.340 0.000 0.000 0.263 681 R C 0.850 177.175 176.300 0.042 0.000 1.053 681 R CA 0.429 56.571 56.100 0.071 0.000 0.705 681 R CB -2.061 28.278 30.300 0.065 0.000 1.124 681 R HN 0.470 nan 8.270 nan 0.000 0.444 682 G N -0.426 108.393 108.800 0.031 0.000 2.176 682 G HA2 -0.296 3.664 3.960 0.000 0.000 0.232 682 G HA3 -0.296 3.664 3.960 0.000 0.000 0.232 682 G C -0.308 174.589 174.900 -0.004 0.000 0.986 682 G CA 0.071 45.178 45.100 0.013 0.000 0.643 682 G HN 0.479 nan 8.290 nan 0.000 0.522 683 D N 1.326 121.722 120.400 -0.007 0.000 2.393 683 D HA 0.410 5.050 4.640 0.000 0.000 0.232 683 D C 1.989 178.271 176.300 -0.030 0.000 1.192 683 D CA 0.298 54.290 54.000 -0.014 0.000 0.882 683 D CB 0.969 41.765 40.800 -0.008 0.000 1.038 683 D HN 0.639 nan 8.370 nan 0.000 0.499 684 V N 2.143 122.038 119.914 -0.032 0.000 2.913 684 V HA -0.148 3.972 4.120 0.000 0.000 0.260 684 V C 1.838 177.907 176.094 -0.042 0.000 1.098 684 V CA 1.711 63.985 62.300 -0.043 0.000 1.121 684 V CB -0.927 30.872 31.823 -0.040 0.000 0.714 684 V HN 0.507 nan 8.190 nan 0.000 0.487 685 S N 1.090 116.771 115.700 -0.033 0.000 2.515 685 S HA 0.157 4.627 4.470 0.000 0.000 0.231 685 S C 1.899 176.477 174.600 -0.036 0.000 0.987 685 S CA 0.911 59.093 58.200 -0.031 0.000 0.936 685 S CB -0.360 62.828 63.200 -0.021 0.000 0.766 685 S HN 1.041 nan 8.310 nan 0.000 0.528 686 A N 1.005 123.799 122.820 -0.043 0.000 2.119 686 A HA 0.379 4.699 4.320 0.000 0.000 0.217 686 A C 0.969 178.512 177.584 -0.068 0.000 1.153 686 A CA 0.139 52.145 52.037 -0.052 0.000 0.692 686 A CB -0.449 18.517 19.000 -0.057 0.000 0.799 686 A HN 0.583 nan 8.150 nan 0.000 0.458 687 L N 1.198 122.377 121.223 -0.072 0.000 2.417 687 L HA 0.201 4.541 4.340 0.000 0.000 0.268 687 L C 1.191 178.022 176.870 -0.065 0.000 1.158 687 L CA -0.440 54.351 54.840 -0.081 0.000 0.819 687 L CB 1.043 43.051 42.059 -0.086 0.000 1.112 687 L HN 0.410 nan 8.230 nan 0.000 0.458 688 S N 0.514 116.174 115.700 -0.068 0.000 2.580 688 S HA -0.005 4.465 4.470 0.000 0.000 0.266 688 S C 1.112 175.680 174.600 -0.053 0.000 1.354 688 S CA -0.205 57.962 58.200 -0.056 0.000 1.008 688 S CB 0.914 64.081 63.200 -0.056 0.000 0.898 688 S HN 0.676 nan 8.310 nan 0.000 0.555 689 T N 1.377 115.905 114.554 -0.043 0.000 2.720 689 T HA -0.091 4.259 4.350 0.000 0.000 0.268 689 T C 1.586 176.258 174.700 -0.045 0.000 1.037 689 T CA 1.648 63.725 62.100 -0.038 0.000 1.144 689 T CB -0.384 68.467 68.868 -0.029 0.000 0.864 689 T HN 0.648 nan 8.240 nan 0.000 0.444 690 E N 0.847 121.017 120.200 -0.051 0.000 2.216 690 E HA 0.153 4.503 4.350 0.000 0.000 0.192 690 E C 2.328 178.876 176.600 -0.087 0.000 0.988 690 E CA 0.692 57.056 56.400 -0.060 0.000 0.834 690 E CB -0.294 29.373 29.700 -0.056 0.000 0.772 690 E HN 0.512 nan 8.360 nan 0.000 0.479 691 A N 0.909 123.672 122.820 -0.095 0.000 2.072 691 A HA -0.036 4.284 4.320 0.000 0.000 0.216 691 A C 2.112 179.628 177.584 -0.114 0.000 1.156 691 A CA 0.591 52.553 52.037 -0.125 0.000 0.701 691 A CB -0.270 18.658 19.000 -0.121 0.000 0.816 691 A HN 0.055 nan 8.150 nan 0.000 0.458 692 R N 0.178 120.628 120.500 -0.083 0.000 2.113 692 R HA -0.150 4.190 4.340 0.000 0.000 0.244 692 R C -1.028 175.234 176.300 -0.064 0.000 1.142 692 R CA 2.155 58.214 56.100 -0.068 0.000 0.953 692 R CB -1.091 29.178 30.300 -0.052 0.000 0.860 692 R HN 0.364 nan 8.270 nan 0.000 0.438 693 P HA -0.124 nan 4.420 nan 0.000 0.223 693 P C 0.800 178.071 177.300 -0.048 0.000 1.144 693 P CA 1.054 64.128 63.100 -0.044 0.000 0.783 693 P CB -0.049 31.630 31.700 -0.035 0.000 0.771 694 L N -1.698 119.459 121.223 -0.109 0.000 2.127 694 L HA -0.163 4.177 4.340 0.000 0.000 0.211 694 L C 2.116 179.013 176.870 0.045 0.000 1.089 694 L CA 1.352 56.124 54.840 -0.113 0.000 0.757 694 L CB -0.734 41.188 42.059 -0.227 0.000 0.899 694 L HN -0.054 nan 8.230 nan 0.000 0.434 695 V N -0.201 119.714 119.914 0.002 0.000 2.521 695 V HA -0.093 4.027 4.120 0.000 0.000 0.239 695 V C 1.946 178.008 176.094 -0.052 0.000 1.053 695 V CA 1.206 63.486 62.300 -0.033 0.000 1.073 695 V CB 0.235 32.025 31.823 -0.054 0.000 0.746 695 V HN 0.426 nan 8.190 nan 0.000 0.476 696 I N -0.699 119.851 120.570 -0.034 0.000 3.578 696 I HA 0.239 4.409 4.170 0.000 0.000 0.295 696 I C 1.812 177.929 176.117 -0.001 0.000 1.280 696 I CA 1.201 62.486 61.300 -0.024 0.000 1.347 696 I CB -0.477 37.508 38.000 -0.025 0.000 1.051 696 I HN 0.207 nan 8.210 nan 0.000 0.460 697 G N 2.027 110.836 108.800 0.014 0.000 2.920 697 G HA2 0.305 4.265 3.960 0.000 0.000 0.208 697 G HA3 0.305 4.265 3.960 0.000 0.000 0.208 697 G C 0.533 175.481 174.900 0.080 0.000 1.159 697 G CA -0.131 44.997 45.100 0.047 0.000 0.784 697 G HN 0.278 nan 8.290 nan 0.000 0.535 698 L N -0.114 121.146 121.223 0.062 0.000 2.330 698 L HA 0.501 4.841 4.340 0.000 0.000 0.271 698 L C 0.214 177.116 176.870 0.054 0.000 1.013 698 L CA -1.225 53.666 54.840 0.085 0.000 0.816 698 L CB 1.809 43.900 42.059 0.054 0.000 1.287 698 L HN -0.083 nan 8.230 nan 0.000 0.435 699 R N 2.294 122.846 120.500 0.085 0.000 2.449 699 R HA 0.154 4.494 4.340 0.000 0.000 0.296 699 R C -2.218 174.099 176.300 0.028 0.000 1.047 699 R CA -1.429 54.708 56.100 0.062 0.000 1.018 699 R CB -0.036 30.319 30.300 0.092 0.000 0.962 699 R HN 0.305 nan 8.270 nan 0.000 0.428 700 P HA -0.046 nan 4.420 nan 0.000 0.272 700 P C 0.730 178.031 177.300 0.002 0.000 1.223 700 P CA -0.073 63.013 63.100 -0.025 0.000 0.784 700 P CB 0.784 32.468 31.700 -0.027 0.000 0.923 701 V N 0.042 119.951 119.914 -0.008 0.000 3.541 701 V HA 0.079 4.199 4.120 0.000 0.000 0.267 701 V C 0.724 176.834 176.094 0.028 0.000 1.213 701 V CA 0.514 62.831 62.300 0.028 0.000 1.149 701 V CB -0.576 31.276 31.823 0.049 0.000 0.822 701 V HN 0.376 nan 8.190 nan 0.000 0.462 702 V N -1.620 118.301 119.914 0.012 0.000 2.680 702 V HA 0.749 4.869 4.120 0.000 0.000 0.309 702 V C -0.445 175.655 176.094 0.009 0.000 1.052 702 V CA -1.299 61.009 62.300 0.014 0.000 0.908 702 V CB 1.737 33.568 31.823 0.014 0.000 1.001 702 V HN 0.258 nan 8.190 nan 0.000 0.431 703 K N 3.691 124.098 120.400 0.011 0.000 2.276 703 K HA 0.685 5.005 4.320 0.000 0.000 0.285 703 K C -0.570 176.034 176.600 0.006 0.000 1.062 703 K CA -0.124 56.168 56.287 0.009 0.000 0.918 703 K CB 0.894 33.401 32.500 0.012 0.000 1.055 703 K HN 1.225 nan 8.250 nan 0.000 0.477 704 V N 1.541 121.457 119.914 0.003 0.000 3.102 704 V HA 0.713 4.833 4.120 0.000 0.000 0.312 704 V C -2.289 173.805 176.094 0.001 0.000 1.135 704 V CA -2.139 60.162 62.300 0.002 0.000 1.022 704 V CB 0.784 32.606 31.823 -0.001 0.000 1.056 704 V HN 0.708 nan 8.190 nan 0.000 0.436 705 P HA 0.446 nan 4.420 nan 0.000 0.270 705 P C -0.012 177.288 177.300 -0.000 0.000 1.223 705 P CA 0.208 63.309 63.100 0.001 0.000 0.785 705 P CB 0.197 31.898 31.700 0.001 0.000 0.923 706 A N 1.769 124.589 122.820 0.001 0.000 2.520 706 A HA 0.414 4.734 4.320 0.000 0.000 0.235 706 A C 0.748 178.331 177.584 -0.002 0.000 1.065 706 A CA 0.362 52.399 52.037 -0.000 0.000 0.764 706 A CB -1.131 17.869 19.000 0.001 0.000 1.002 706 A HN 0.967 nan 8.150 nan 0.000 0.502 707 A N 0.000 122.818 122.820 -0.003 0.000 2.254 707 A HA 0.000 4.320 4.320 0.000 0.000 0.244 707 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 707 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 707 A HN 0.000 nan 8.150 nan 0.000 0.486