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 3ej6_1_D DATA FIRST_RESID 36 DATA SEQUENCE EVDARQRLKE VEVDDNGQFM TTDFGGNIEE QFSLKAGGRG STLLEDFIFR DATA SEQUENCE QKLQHFDHER IPERVVHARG AGAHGIFTSY GDWSNITAAS FLGAKDKQTP DATA SEQUENCE VFVRFSTVAG SRGSADTARD VHGFATRFYT DEGNFDIVGN NIPVFFIQDA DATA SEQUENCE IRFPDLIHSV KPSPDNEVPQ AATAHDSAWD FFSSQPSALH TLFWAMSGNG DATA SEQUENCE IPRSYRHMDG FGIHTFRLVT EDGKSKLVKW HWKTKQGKAA LVWEEAQVLA DATA SEQUENCE GKNADFHRQD LWDAIESGNA PSWELAVQLI DEDKAQAYGF DLLDPTKFLP DATA SEQUENCE EEFAPLQVLG EMTLNRNPMN YFAETEQISF QPGHIVRGVD FTEDPLLQGR DATA SEQUENCE LYSYLDTQLN RHRGPNFEQL PINRPVSGVH NNHRDGQGQA WIHKNIHHYS DATA SEQUENCE PSYLNKGYPA QANQTVGRGF FTTPGRTASG VLNRELSATF DDHYTQPRLF DATA SEQUENCE FNSLTPVEQQ FVINAIRFEA SHVTNEQVKK NVLEQLNKIS NDVAKRVAVA DATA SEQUENCE LGLEAPQPDP TYYHNNVTRG VSIFNESLPT IATLRVGVLS TTKGGSLDKA DATA SEQUENCE KALKEQLEKD GLKVTVIAEY LASGVDQTYS AADATAFDAV VVAEGAERVF DATA SEQUENCE SGKGAMSPLF PAGRPSQILT DGYRWGKPVA AVGSAKKALQ SIGVEEKEAG DATA SEQUENCE VYAGAQDEVI KGVEEGLKVF KFLERFAVDG D 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 36 E HA 0.000 nan 4.350 nan 0.000 0.291 36 E C 0.000 176.606 176.600 0.010 0.000 1.382 36 E CA 0.000 56.408 56.400 0.013 0.000 0.976 36 E CB 0.000 29.706 29.700 0.010 0.000 0.812 37 V N 3.026 122.950 119.914 0.016 0.000 2.637 37 V HA 0.145 4.180 4.120 -0.143 0.000 0.296 37 V C 0.476 176.574 176.094 0.008 0.000 1.046 37 V CA -0.213 62.094 62.300 0.012 0.000 1.066 37 V CB 0.990 32.825 31.823 0.020 0.000 0.968 37 V HN 0.229 nan 8.190 nan 0.000 0.483 38 D N 3.046 123.443 120.400 -0.007 0.000 2.424 38 D HA 0.193 4.747 4.640 -0.143 0.000 0.244 38 D C 0.865 177.152 176.300 -0.021 0.000 1.134 38 D CA 0.409 54.396 54.000 -0.021 0.000 0.881 38 D CB 1.932 42.709 40.800 -0.038 0.000 1.191 38 D HN 0.621 nan 8.370 nan 0.000 0.445 39 A N 4.985 127.794 122.820 -0.018 0.000 2.014 39 A HA -0.111 4.124 4.320 -0.143 0.000 0.218 39 A C 1.549 179.097 177.584 -0.061 0.000 1.163 39 A CA 0.827 52.867 52.037 0.005 0.000 0.652 39 A CB 0.067 19.106 19.000 0.065 0.000 0.808 39 A HN 0.629 nan 8.150 nan 0.000 0.449 40 R N -0.776 119.630 120.500 -0.156 0.000 2.609 40 R HA 0.144 4.398 4.340 -0.143 0.000 0.326 40 R C 1.276 177.481 176.300 -0.158 0.000 1.090 40 R CA 0.083 56.027 56.100 -0.259 0.000 1.072 40 R CB 0.040 30.079 30.300 -0.435 0.000 1.330 40 R HN 0.449 nan 8.270 nan 0.000 0.572 41 Q N 2.657 122.395 119.800 -0.103 0.000 2.124 41 Q HA -0.178 4.076 4.340 -0.143 0.000 0.202 41 Q C 2.121 178.077 176.000 -0.073 0.000 0.977 41 Q CA 1.842 57.602 55.803 -0.072 0.000 0.850 41 Q CB 0.026 28.737 28.738 -0.046 0.000 0.901 41 Q HN 0.445 nan 8.270 nan 0.000 0.429 42 R N -0.452 119.995 120.500 -0.088 0.000 2.148 42 R HA -0.071 4.183 4.340 -0.143 0.000 0.227 42 R C 1.687 177.939 176.300 -0.081 0.000 1.103 42 R CA 1.450 57.500 56.100 -0.083 0.000 0.983 42 R CB -0.565 29.673 30.300 -0.104 0.000 0.874 42 R HN 0.306 nan 8.270 nan 0.000 0.451 43 L N 0.750 121.914 121.223 -0.099 0.000 2.554 43 L HA 0.102 4.357 4.340 -0.143 0.000 0.226 43 L C 1.880 178.715 176.870 -0.058 0.000 1.137 43 L CA 0.585 55.376 54.840 -0.082 0.000 0.863 43 L CB -0.086 41.909 42.059 -0.107 0.000 0.985 43 L HN 0.160 nan 8.230 nan 0.000 0.451 44 K N 0.810 121.176 120.400 -0.057 0.000 2.147 44 K HA -0.197 4.037 4.320 -0.143 0.000 0.205 44 K C 1.935 178.520 176.600 -0.025 0.000 1.049 44 K CA 1.589 57.852 56.287 -0.039 0.000 0.936 44 K CB -0.025 32.451 32.500 -0.039 0.000 0.722 44 K HN 0.491 nan 8.250 nan 0.000 0.446 45 E N 1.020 121.205 120.200 -0.025 0.000 2.204 45 E HA -0.137 4.128 4.350 -0.143 0.000 0.194 45 E C 1.613 178.210 176.600 -0.006 0.000 0.989 45 E CA 1.425 57.816 56.400 -0.016 0.000 0.824 45 E CB -0.186 29.503 29.700 -0.019 0.000 0.756 45 E HN 0.245 nan 8.360 nan 0.000 0.477 46 V N -1.185 118.726 119.914 -0.005 0.000 3.649 46 V HA 0.153 4.187 4.120 -0.143 0.000 0.275 46 V C 0.463 176.565 176.094 0.013 0.000 1.281 46 V CA -0.248 62.057 62.300 0.008 0.000 1.143 46 V CB -0.577 31.253 31.823 0.012 0.000 0.892 46 V HN 0.028 nan 8.190 nan 0.000 0.441 47 E N 0.792 120.995 120.200 0.006 0.000 2.354 47 E HA 0.491 4.756 4.350 -0.143 0.000 0.269 47 E C -1.020 175.588 176.600 0.014 0.000 1.036 47 E CA -0.249 56.158 56.400 0.012 0.000 0.876 47 E CB 1.993 31.695 29.700 0.004 0.000 1.009 47 E HN 0.340 nan 8.360 nan 0.000 0.416 48 V N 2.874 122.800 119.914 0.020 0.000 2.444 48 V HA 0.139 4.173 4.120 -0.143 0.000 0.294 48 V C -0.653 175.449 176.094 0.014 0.000 1.022 48 V CA -0.840 61.470 62.300 0.016 0.000 0.850 48 V CB 1.739 33.573 31.823 0.018 0.000 0.992 48 V HN 0.613 nan 8.190 nan 0.000 0.426 49 D N 2.762 123.167 120.400 0.007 0.000 2.329 49 D HA 0.358 4.912 4.640 -0.143 0.000 0.232 49 D C 0.185 176.483 176.300 -0.003 0.000 1.088 49 D CA -0.274 53.728 54.000 0.004 0.000 0.835 49 D CB 1.597 42.398 40.800 0.001 0.000 1.078 49 D HN 0.479 nan 8.370 nan 0.000 0.495 50 D N 2.087 122.483 120.400 -0.006 0.000 2.369 50 D HA -0.007 4.548 4.640 -0.143 0.000 0.211 50 D C 0.289 176.570 176.300 -0.032 0.000 1.077 50 D CA -0.087 53.903 54.000 -0.016 0.000 0.842 50 D CB -0.061 40.730 40.800 -0.014 0.000 0.947 50 D HN 0.467 nan 8.370 nan 0.000 0.509 51 N N 0.618 119.301 118.700 -0.029 0.000 2.497 51 N HA 0.135 4.790 4.740 -0.143 0.000 0.268 51 N C 0.842 176.315 175.510 -0.061 0.000 1.171 51 N CA 0.738 53.764 53.050 -0.041 0.000 0.948 51 N CB 0.630 39.101 38.487 -0.027 0.000 1.069 51 N HN 0.118 nan 8.380 nan 0.000 0.460 52 G N 1.756 110.501 108.800 -0.093 0.000 2.221 52 G HA2 -0.204 3.670 3.960 -0.143 0.000 0.265 52 G HA3 -0.204 3.670 3.960 -0.143 0.000 0.265 52 G C -0.460 174.335 174.900 -0.174 0.000 1.041 52 G CA -0.000 45.022 45.100 -0.130 0.000 0.807 52 G HN 0.635 nan 8.290 nan 0.000 0.502 53 Q N -1.364 118.320 119.800 -0.194 0.000 2.433 53 Q HA 0.704 4.958 4.340 -0.143 0.000 0.279 53 Q C -0.177 175.666 176.000 -0.262 0.000 1.105 53 Q CA -0.797 54.903 55.803 -0.171 0.000 0.815 53 Q CB 1.472 30.179 28.738 -0.052 0.000 1.403 53 Q HN 0.178 nan 8.270 nan 0.000 0.435 54 F N 0.531 120.474 119.950 -0.011 0.000 2.370 54 F HA 0.355 4.788 4.527 -0.157 0.000 0.324 54 F C 0.883 176.669 175.800 -0.023 0.000 1.116 54 F CA -0.848 57.144 58.000 -0.013 0.000 1.123 54 F CB 0.749 39.744 39.000 -0.009 0.000 1.238 54 F HN 0.389 nan 8.300 nan 0.000 0.536 55 M N 2.272 121.982 119.600 0.184 0.000 2.228 55 M HA 0.247 4.641 4.480 -0.143 0.000 0.351 55 M C -0.027 176.301 176.300 0.045 0.000 1.233 55 M CA 0.351 55.694 55.300 0.072 0.000 1.129 55 M CB 0.376 33.003 32.600 0.045 0.000 1.604 55 M HN 0.730 nan 8.290 nan 0.000 0.457 56 T N 0.488 115.035 114.554 -0.011 0.000 2.838 56 T HA 0.801 5.066 4.350 -0.143 0.000 0.292 56 T C -0.008 174.616 174.700 -0.126 0.000 1.113 56 T CA -0.457 61.604 62.100 -0.064 0.000 1.008 56 T CB 1.051 69.883 68.868 -0.060 0.000 1.259 56 T HN 0.759 nan 8.240 nan 0.000 0.520 57 T N -1.151 113.259 114.554 -0.240 0.000 2.810 57 T HA 0.350 4.614 4.350 -0.143 0.000 0.277 57 T C 0.279 174.812 174.700 -0.279 0.000 0.973 57 T CA -0.407 61.491 62.100 -0.335 0.000 0.949 57 T CB 0.183 68.589 68.868 -0.770 0.000 1.075 57 T HN 0.503 nan 8.240 nan 0.000 0.537 58 D N -0.285 120.017 120.400 -0.164 0.000 2.347 58 D HA 0.074 4.628 4.640 -0.143 0.000 0.215 58 D C 0.931 177.269 176.300 0.062 0.000 0.976 58 D CA 0.676 54.661 54.000 -0.024 0.000 0.884 58 D CB -0.299 40.539 40.800 0.062 0.000 0.915 58 D HN 0.707 nan 8.370 nan 0.000 0.526 59 F N -1.324 118.649 119.950 0.039 0.000 2.684 59 F HA 0.575 5.150 4.527 0.080 0.000 0.298 59 F C 0.925 176.744 175.800 0.032 0.000 1.120 59 F CA -0.414 57.605 58.000 0.032 0.000 1.332 59 F CB -0.046 38.971 39.000 0.027 0.000 0.986 59 F HN -0.077 nan 8.300 nan 0.000 0.524 60 G N -0.003 108.671 108.800 -0.211 0.000 2.795 60 G HA2 0.372 4.246 3.960 -0.143 0.000 0.664 60 G HA3 0.372 4.246 3.960 -0.143 0.000 0.664 60 G C -0.095 174.675 174.900 -0.217 0.000 1.381 60 G CA -0.192 44.824 45.100 -0.140 0.000 0.853 60 G HN 2.030 nan 8.290 nan 0.000 0.545 61 G N -0.465 108.280 108.800 -0.091 0.000 3.190 61 G HA2 0.239 4.113 3.960 -0.143 0.000 0.686 61 G HA3 0.239 4.113 3.960 -0.143 0.000 0.686 61 G C -0.343 174.521 174.900 -0.059 0.000 1.033 61 G CA 0.357 45.424 45.100 -0.055 0.000 0.797 61 G HN 1.623 nan 8.290 nan 0.000 0.567 62 N N 0.295 118.976 118.700 -0.032 0.000 2.492 62 N HA 0.681 5.336 4.740 -0.143 0.000 0.260 62 N C 1.030 176.530 175.510 -0.017 0.000 1.215 62 N CA 0.708 53.741 53.050 -0.028 0.000 0.923 62 N CB 1.010 39.444 38.487 -0.089 0.000 1.092 62 N HN 1.110 nan 8.380 nan 0.000 0.448 63 I N -2.908 117.659 120.570 -0.005 0.000 3.352 63 I HA 0.595 4.679 4.170 -0.143 0.000 0.316 63 I C -0.800 175.324 176.117 0.012 0.000 1.214 63 I CA -1.101 60.197 61.300 -0.003 0.000 0.934 63 I CB 2.268 40.248 38.000 -0.034 0.000 1.310 63 I HN 0.442 nan 8.210 nan 0.000 0.475 64 E N 0.799 121.004 120.200 0.009 0.000 2.299 64 E HA 0.633 4.897 4.350 -0.143 0.000 0.265 64 E C -1.473 175.128 176.600 0.001 0.000 0.911 64 E CA -0.647 55.772 56.400 0.032 0.000 0.789 64 E CB 2.300 32.051 29.700 0.086 0.000 1.246 64 E HN 0.728 nan 8.360 nan 0.000 0.427 65 E N 0.938 121.132 120.200 -0.009 0.000 3.918 65 E HA 0.120 4.384 4.350 -0.143 0.000 0.183 65 E C -0.300 176.248 176.600 -0.087 0.000 1.021 65 E CA -0.376 56.002 56.400 -0.036 0.000 1.431 65 E CB 0.444 30.114 29.700 -0.050 0.000 1.140 65 E HN 0.352 nan 8.360 nan 0.000 0.435 66 Q N -0.050 119.660 119.800 -0.150 0.000 2.189 66 Q HA 0.366 4.621 4.340 -0.143 0.000 0.223 66 Q C -0.737 174.781 176.000 -0.803 0.000 0.828 66 Q CA 0.267 55.793 55.803 -0.461 0.000 0.967 66 Q CB 0.802 29.188 28.738 -0.587 0.000 1.139 66 Q HN 0.308 nan 8.270 nan 0.000 0.497 67 F N -0.175 119.767 119.950 -0.013 0.000 2.574 67 F HA 0.360 4.797 4.527 -0.151 0.000 0.313 67 F C 0.211 175.991 175.800 -0.034 0.000 1.130 67 F CA -0.849 57.136 58.000 -0.024 0.000 0.936 67 F CB 1.734 40.718 39.000 -0.027 0.000 1.219 67 F HN -0.373 nan 8.300 nan 0.000 0.445 68 S N 2.412 118.171 115.700 0.098 0.000 2.580 68 S HA 0.354 4.738 4.470 -0.143 0.000 0.274 68 S C -0.598 174.001 174.600 -0.000 0.000 1.329 68 S CA -0.511 57.675 58.200 -0.023 0.000 1.036 68 S CB 1.012 64.096 63.200 -0.194 0.000 0.919 68 S HN 0.489 nan 8.310 nan 0.000 0.515 69 L N 3.696 124.902 121.223 -0.029 0.000 2.369 69 L HA 0.319 4.573 4.340 -0.143 0.000 0.279 69 L C -0.314 176.535 176.870 -0.035 0.000 1.108 69 L CA 0.691 55.521 54.840 -0.015 0.000 0.852 69 L CB -0.273 41.786 42.059 0.001 0.000 1.169 69 L HN 0.520 nan 8.230 nan 0.000 0.452 70 K N 4.166 124.550 120.400 -0.027 0.000 2.267 70 K HA 0.726 4.961 4.320 -0.143 0.000 0.246 70 K C -0.622 175.965 176.600 -0.022 0.000 0.954 70 K CA -0.779 55.489 56.287 -0.031 0.000 0.824 70 K CB 1.763 34.245 32.500 -0.030 0.000 1.167 70 K HN 0.598 nan 8.250 nan 0.000 0.431 71 A N 1.938 124.746 122.820 -0.020 0.000 3.015 71 A HA 0.578 4.813 4.320 -0.143 0.000 0.293 71 A C 0.358 177.933 177.584 -0.015 0.000 1.572 71 A CA 0.364 52.393 52.037 -0.013 0.000 1.274 71 A CB -1.048 17.946 19.000 -0.010 0.000 1.156 71 A HN 0.854 nan 8.150 nan 0.000 0.562 72 G N -0.122 108.668 108.800 -0.017 0.000 2.479 72 G HA2 0.266 4.141 3.960 -0.143 0.000 0.686 72 G HA3 0.266 4.141 3.960 -0.143 0.000 0.686 72 G C 0.763 175.650 174.900 -0.022 0.000 1.295 72 G CA -0.267 44.822 45.100 -0.018 0.000 0.922 72 G HN 1.255 nan 8.290 nan 0.000 0.582 73 G N -0.583 108.204 108.800 -0.022 0.000 2.418 73 G HA2 0.053 3.927 3.960 -0.143 0.000 0.217 73 G HA3 0.053 3.927 3.960 -0.143 0.000 0.217 73 G C 1.062 175.951 174.900 -0.019 0.000 1.158 73 G CA 1.307 46.392 45.100 -0.024 0.000 0.771 73 G HN 0.743 nan 8.290 nan 0.000 0.545 74 R N 0.390 120.881 120.500 -0.015 0.000 3.220 74 R HA 0.395 4.649 4.340 -0.143 0.000 0.324 74 R C 0.365 176.656 176.300 -0.015 0.000 1.283 74 R CA -0.190 55.902 56.100 -0.013 0.000 1.387 74 R CB 1.078 31.372 30.300 -0.010 0.000 1.413 74 R HN 0.259 nan 8.270 nan 0.000 0.610 75 G N -0.362 108.427 108.800 -0.018 0.000 2.552 75 G HA2 0.330 4.204 3.960 -0.143 0.000 0.324 75 G HA3 0.330 4.204 3.960 -0.143 0.000 0.324 75 G C -0.382 174.502 174.900 -0.027 0.000 1.217 75 G CA -0.432 44.656 45.100 -0.020 0.000 0.989 75 G HN 0.172 nan 8.290 nan 0.000 0.490 76 S N -0.581 115.103 115.700 -0.027 0.000 2.592 76 S HA 0.369 4.753 4.470 -0.143 0.000 0.271 76 S C 0.578 175.147 174.600 -0.051 0.000 1.326 76 S CA -0.288 57.891 58.200 -0.037 0.000 1.024 76 S CB 1.032 64.216 63.200 -0.026 0.000 0.921 76 S HN 0.594 nan 8.310 nan 0.000 0.527 77 T N 3.400 117.905 114.554 -0.082 0.000 2.901 77 T HA 0.233 4.497 4.350 -0.143 0.000 0.301 77 T C 0.283 174.936 174.700 -0.079 0.000 1.012 77 T CA -0.166 61.862 62.100 -0.121 0.000 1.135 77 T CB -0.065 68.658 68.868 -0.241 0.000 0.936 77 T HN 0.307 nan 8.240 nan 0.000 0.539 78 L N 3.390 124.580 121.223 -0.055 0.000 2.395 78 L HA 0.272 4.527 4.340 -0.143 0.000 0.269 78 L C 1.430 178.311 176.870 0.019 0.000 1.133 78 L CA -0.683 54.153 54.840 -0.008 0.000 0.812 78 L CB 0.591 42.658 42.059 0.013 0.000 1.125 78 L HN 0.519 nan 8.230 nan 0.000 0.452 79 L N 1.877 123.127 121.223 0.044 0.000 2.291 79 L HA -0.124 4.130 4.340 -0.143 0.000 0.214 79 L C 2.207 179.144 176.870 0.111 0.000 1.120 79 L CA 1.428 56.316 54.840 0.079 0.000 0.799 79 L CB -0.503 41.596 42.059 0.066 0.000 0.925 79 L HN 0.773 nan 8.230 nan 0.000 0.446 80 E N -1.637 118.625 120.200 0.103 0.000 2.516 80 E HA -0.154 4.110 4.350 -0.143 0.000 0.199 80 E C 0.219 176.946 176.600 0.212 0.000 1.069 80 E CA 0.205 56.690 56.400 0.141 0.000 0.876 80 E CB -0.467 29.300 29.700 0.113 0.000 0.843 80 E HN 0.324 nan 8.360 nan 0.000 0.530 81 D N 1.170 121.670 120.400 0.166 0.000 2.441 81 D HA -0.053 4.501 4.640 -0.143 0.000 0.243 81 D C 0.387 176.801 176.300 0.188 0.000 1.257 81 D CA -0.450 53.633 54.000 0.139 0.000 1.027 81 D CB -0.119 40.730 40.800 0.081 0.000 1.084 81 D HN 0.331 nan 8.370 nan 0.000 0.514 82 F N 2.096 122.137 119.950 0.152 0.000 2.325 82 F HA 0.087 4.491 4.527 -0.206 0.000 0.299 82 F C 1.594 177.501 175.800 0.178 0.000 1.090 82 F CA 0.227 58.323 58.000 0.160 0.000 1.392 82 F CB -0.473 38.621 39.000 0.157 0.000 1.053 82 F HN 0.195 nan 8.300 nan 0.000 0.521 83 I N -0.273 119.898 120.570 -0.665 0.000 2.353 83 I HA -0.175 3.910 4.170 -0.143 0.000 0.248 83 I C 2.413 178.478 176.117 -0.087 0.000 1.119 83 I CA 1.197 62.239 61.300 -0.431 0.000 1.417 83 I CB -0.546 37.140 38.000 -0.523 0.000 1.078 83 I HN 0.263 nan 8.210 nan 0.000 0.421 84 F N 2.131 122.003 119.950 -0.130 0.000 2.113 84 F HA -0.149 4.289 4.527 -0.149 0.000 0.297 84 F C 2.652 178.457 175.800 0.009 0.000 1.103 84 F CA 1.580 59.551 58.000 -0.049 0.000 1.248 84 F CB -0.291 38.690 39.000 -0.032 0.000 0.999 84 F HN -0.200 nan 8.300 nan 0.000 0.475 85 R N 0.025 120.466 120.500 -0.098 0.000 2.075 85 R HA -0.166 4.088 4.340 -0.143 0.000 0.232 85 R C 2.264 178.508 176.300 -0.094 0.000 1.126 85 R CA 1.584 57.584 56.100 -0.166 0.000 0.963 85 R CB -0.499 29.857 30.300 0.094 0.000 0.858 85 R HN 0.510 nan 8.270 nan 0.000 0.435 86 Q N 0.941 120.757 119.800 0.027 0.000 2.167 86 Q HA -0.161 4.094 4.340 -0.143 0.000 0.202 86 Q C 1.788 177.807 176.000 0.032 0.000 0.970 86 Q CA 1.640 57.496 55.803 0.089 0.000 0.855 86 Q CB -0.130 28.744 28.738 0.226 0.000 0.911 86 Q HN 0.156 nan 8.270 nan 0.000 0.438 87 K N 0.012 120.382 120.400 -0.051 0.000 2.031 87 K HA -0.043 4.191 4.320 -0.143 0.000 0.205 87 K C 1.913 178.482 176.600 -0.051 0.000 1.049 87 K CA 0.958 57.209 56.287 -0.061 0.000 0.939 87 K CB -0.024 32.414 32.500 -0.102 0.000 0.717 87 K HN 0.229 nan 8.250 nan 0.000 0.438 88 L N 1.479 122.572 121.223 -0.218 0.000 2.109 88 L HA -0.132 4.122 4.340 -0.143 0.000 0.207 88 L C 2.609 179.499 176.870 0.034 0.000 1.086 88 L CA 1.609 56.347 54.840 -0.170 0.000 0.760 88 L CB -1.092 40.645 42.059 -0.537 0.000 0.910 88 L HN 0.475 nan 8.230 nan 0.000 0.437 89 Q N -0.927 118.876 119.800 0.005 0.000 2.096 89 Q HA -0.262 3.993 4.340 -0.143 0.000 0.204 89 Q C 2.336 178.415 176.000 0.131 0.000 0.982 89 Q CA 1.625 57.475 55.803 0.078 0.000 0.850 89 Q CB -0.120 28.624 28.738 0.009 0.000 0.901 89 Q HN 0.475 nan 8.270 nan 0.000 0.422 90 H N -0.692 118.407 119.070 0.049 0.000 2.357 90 H HA -0.144 4.335 4.556 -0.128 0.000 0.301 90 H C 1.838 177.217 175.328 0.085 0.000 1.082 90 H CA 1.621 57.701 56.048 0.054 0.000 1.342 90 H CB -0.183 29.602 29.762 0.038 0.000 1.389 90 H HN 0.401 nan 8.280 nan 0.000 0.511 91 F N 2.046 122.051 119.950 0.092 0.000 2.102 91 F HA -0.179 4.259 4.527 -0.147 0.000 0.298 91 F C 1.962 177.755 175.800 -0.012 0.000 1.105 91 F CA 1.625 59.639 58.000 0.024 0.000 1.239 91 F CB -0.280 38.717 39.000 -0.004 0.000 0.991 91 F HN 0.053 nan 8.300 nan 0.000 0.474 92 D N -1.099 119.311 120.400 0.016 0.000 2.218 92 D HA -0.164 4.391 4.640 -0.143 0.000 0.204 92 D C 1.257 177.407 176.300 -0.249 0.000 0.976 92 D CA 1.364 55.298 54.000 -0.110 0.000 0.853 92 D CB -0.503 40.344 40.800 0.078 0.000 0.939 92 D HN 0.531 nan 8.370 nan 0.000 0.481 93 H N -0.079 118.861 119.070 -0.217 0.000 2.488 93 H HA 0.207 4.678 4.556 -0.141 0.000 0.294 93 H C 0.939 176.096 175.328 -0.286 0.000 1.088 93 H CA -0.094 55.824 56.048 -0.216 0.000 1.086 93 H CB 0.670 30.327 29.762 -0.175 0.000 1.569 93 H HN 0.243 nan 8.280 nan 0.000 0.548 94 E N 0.746 120.781 120.200 -0.276 0.000 2.072 94 E HA -0.031 4.233 4.350 -0.143 0.000 0.190 94 E C 0.547 176.973 176.600 -0.291 0.000 0.982 94 E CA 0.442 56.642 56.400 -0.334 0.000 0.803 94 E CB 0.454 29.928 29.700 -0.375 0.000 0.755 94 E HN 0.195 nan 8.360 nan 0.000 0.453 95 R N 1.535 121.901 120.500 -0.224 0.000 2.438 95 R HA 0.257 4.512 4.340 -0.143 0.000 0.287 95 R C 0.483 176.762 176.300 -0.035 0.000 1.077 95 R CA -0.029 56.001 56.100 -0.116 0.000 1.034 95 R CB 0.365 30.589 30.300 -0.127 0.000 0.993 95 R HN 0.225 nan 8.270 nan 0.000 0.459 96 I N -0.486 120.124 120.570 0.067 0.000 2.910 96 I HA 0.596 4.680 4.170 -0.143 0.000 0.310 96 I C -2.155 173.963 176.117 0.002 0.000 1.043 96 I CA -2.993 58.334 61.300 0.044 0.000 1.053 96 I CB 1.643 39.693 38.000 0.084 0.000 1.242 96 I HN 0.244 nan 8.210 nan 0.000 0.452 97 P HA 0.126 nan 4.420 nan 0.000 0.268 97 P C -0.833 176.434 177.300 -0.055 0.000 1.204 97 P CA -0.125 62.945 63.100 -0.050 0.000 0.768 97 P CB 0.469 32.127 31.700 -0.070 0.000 0.842 98 E N 2.808 122.991 120.200 -0.028 0.000 2.391 98 E HA 0.158 4.422 4.350 -0.143 0.000 0.255 98 E C -0.483 176.094 176.600 -0.038 0.000 1.187 98 E CA -0.785 55.606 56.400 -0.016 0.000 0.941 98 E CB 0.579 30.287 29.700 0.013 0.000 1.010 98 E HN 0.266 nan 8.360 nan 0.000 0.458 99 R N 0.609 121.095 120.500 -0.024 0.000 2.570 99 R HA -0.006 4.248 4.340 -0.143 0.000 0.277 99 R C 1.053 177.347 176.300 -0.010 0.000 1.039 99 R CA 0.010 56.091 56.100 -0.031 0.000 1.065 99 R CB 0.851 31.154 30.300 0.004 0.000 0.964 99 R HN 0.541 nan 8.270 nan 0.000 0.428 100 V N 3.974 123.871 119.914 -0.029 0.000 2.469 100 V HA -0.128 3.907 4.120 -0.143 0.000 0.251 100 V C 0.559 176.676 176.094 0.037 0.000 1.064 100 V CA 1.824 64.121 62.300 -0.005 0.000 1.066 100 V CB 0.198 32.013 31.823 -0.014 0.000 0.667 100 V HN 0.546 nan 8.190 nan 0.000 0.461 101 V N -4.066 115.901 119.914 0.089 0.000 3.078 101 V HA 0.586 4.620 4.120 -0.143 0.000 0.311 101 V C 0.038 176.289 176.094 0.262 0.000 1.138 101 V CA -0.689 61.712 62.300 0.168 0.000 1.007 101 V CB 1.476 33.493 31.823 0.325 0.000 1.045 101 V HN 0.501 nan 8.190 nan 0.000 0.432 102 H N 0.694 119.801 119.070 0.063 0.000 2.819 102 H HA -0.202 4.268 4.556 -0.143 0.000 0.315 102 H C 1.381 176.738 175.328 0.048 0.000 1.242 102 H CA 0.656 56.739 56.048 0.058 0.000 1.157 102 H CB -1.095 28.696 29.762 0.049 0.000 1.451 102 H HN 1.187 nan 8.280 nan 0.000 0.430 103 A N 0.821 123.707 122.820 0.109 0.000 1.929 103 A HA -0.067 4.167 4.320 -0.143 0.000 0.216 103 A C 1.669 179.322 177.584 0.115 0.000 1.176 103 A CA 1.128 53.219 52.037 0.090 0.000 0.628 103 A CB 0.042 19.075 19.000 0.055 0.000 0.816 103 A HN 0.267 nan 8.150 nan 0.000 0.444 104 R N 0.248 120.815 120.500 0.113 0.000 2.196 104 R HA 0.511 4.765 4.340 -0.143 0.000 0.340 104 R C -0.052 176.366 176.300 0.197 0.000 1.043 104 R CA 0.769 56.956 56.100 0.144 0.000 0.883 104 R CB 0.132 30.502 30.300 0.115 0.000 1.078 104 R HN 0.419 nan 8.270 nan 0.000 0.462 105 G N 0.962 109.908 108.800 0.242 0.000 2.550 105 G HA2 0.692 4.566 3.960 -0.143 0.000 0.293 105 G HA3 0.692 4.566 3.960 -0.143 0.000 0.293 105 G C -1.886 173.207 174.900 0.321 0.000 1.402 105 G CA -0.154 45.098 45.100 0.253 0.000 0.784 105 G HN 0.762 nan 8.290 nan 0.000 0.482 106 A N -1.602 121.360 122.820 0.236 0.000 2.609 106 A HA 1.050 5.284 4.320 -0.143 0.000 0.291 106 A C -0.073 177.567 177.584 0.092 0.000 1.096 106 A CA 0.232 52.453 52.037 0.307 0.000 0.684 106 A CB 1.629 20.914 19.000 0.475 0.000 1.282 106 A HN 2.380 nan 8.150 nan 0.000 0.412 107 G N -1.377 107.474 108.800 0.085 0.000 2.663 107 G HA2 0.999 4.873 3.960 -0.143 0.000 0.299 107 G HA3 0.999 4.873 3.960 -0.143 0.000 0.299 107 G C -0.798 173.952 174.900 -0.250 0.000 1.372 107 G CA 0.234 45.204 45.100 -0.217 0.000 0.781 107 G HN 2.297 nan 8.290 nan 0.000 0.491 108 A N -1.049 121.321 122.820 -0.750 0.000 2.566 108 A HA 0.750 4.984 4.320 -0.143 0.000 0.290 108 A C -1.157 175.997 177.584 -0.717 0.000 1.071 108 A CA -0.736 51.023 52.037 -0.462 0.000 0.658 108 A CB 0.633 19.550 19.000 -0.139 0.000 1.285 108 A HN 0.783 nan 8.150 nan 0.000 0.427 109 H N -0.515 118.445 119.070 -0.183 0.000 2.508 109 H HA 0.673 5.143 4.556 -0.143 0.000 0.358 109 H C 0.580 175.879 175.328 -0.048 0.000 1.212 109 H CA 0.635 56.675 56.048 -0.015 0.000 1.356 109 H CB 1.787 31.614 29.762 0.108 0.000 1.525 109 H HN 1.141 nan 8.280 nan 0.000 0.578 110 G N 0.221 109.096 108.800 0.124 0.000 2.554 110 G HA2 0.385 4.259 3.960 -0.143 0.000 0.306 110 G HA3 0.385 4.259 3.960 -0.143 0.000 0.306 110 G C -1.798 173.181 174.900 0.132 0.000 1.320 110 G CA -0.525 44.631 45.100 0.093 0.000 0.800 110 G HN 0.378 nan 8.290 nan 0.000 0.481 111 I N 0.490 121.150 120.570 0.150 0.000 2.499 111 I HA 0.429 4.513 4.170 -0.143 0.000 0.288 111 I C -1.352 174.932 176.117 0.279 0.000 1.048 111 I CA -0.734 60.684 61.300 0.197 0.000 1.062 111 I CB 1.571 39.657 38.000 0.145 0.000 1.238 111 I HN 0.493 nan 8.210 nan 0.000 0.426 112 F N 5.438 125.520 119.950 0.221 0.000 2.421 112 F HA 0.636 5.077 4.527 -0.143 0.000 0.337 112 F C -0.163 175.807 175.800 0.282 0.000 1.105 112 F CA 0.035 58.221 58.000 0.311 0.000 1.049 112 F CB 1.462 40.774 39.000 0.520 0.000 1.139 112 F HN 0.400 nan 8.300 nan 0.000 0.479 113 T N 4.315 118.466 114.554 -0.671 0.000 2.841 113 T HA 0.250 4.514 4.350 -0.143 0.000 0.285 113 T C -0.724 173.500 174.700 -0.793 0.000 0.991 113 T CA -0.641 61.175 62.100 -0.473 0.000 0.966 113 T CB 1.314 70.105 68.868 -0.128 0.000 0.962 113 T HN 0.616 nan 8.240 nan 0.000 0.438 114 S N 1.956 117.431 115.700 -0.376 0.000 2.523 114 S HA 0.242 4.627 4.470 -0.143 0.000 0.275 114 S C 0.556 175.232 174.600 0.127 0.000 1.281 114 S CA -0.496 57.654 58.200 -0.084 0.000 1.050 114 S CB 0.126 63.432 63.200 0.177 0.000 0.937 114 S HN 0.591 nan 8.310 nan 0.000 0.492 115 Y N 3.708 124.113 120.300 0.175 0.000 2.509 115 Y HA 0.261 4.725 4.550 -0.143 0.000 0.293 115 Y C 1.578 177.479 175.900 0.001 0.000 1.133 115 Y CA 0.313 58.490 58.100 0.130 0.000 1.283 115 Y CB -0.523 38.074 38.460 0.227 0.000 1.001 115 Y HN 0.780 nan 8.280 nan 0.000 0.555 116 G N -1.479 107.327 108.800 0.010 0.000 2.548 116 G HA2 0.177 4.051 3.960 -0.143 0.000 0.301 116 G HA3 0.177 4.051 3.960 -0.143 0.000 0.301 116 G C -1.884 172.544 174.900 -0.786 0.000 1.349 116 G CA -0.817 43.979 45.100 -0.506 0.000 0.792 116 G HN -0.172 nan 8.290 nan 0.000 0.481 117 D N -0.073 119.911 120.400 -0.693 0.000 2.352 117 D HA 0.212 4.766 4.640 -0.143 0.000 0.245 117 D C -0.356 175.603 176.300 -0.567 0.000 1.224 117 D CA -0.411 53.308 54.000 -0.469 0.000 0.879 117 D CB 0.470 41.113 40.800 -0.261 0.000 1.057 117 D HN 0.354 nan 8.370 nan 0.000 0.491 118 W N 2.702 123.974 121.300 -0.047 0.000 2.987 118 W HA 0.111 4.685 4.660 -0.143 0.000 0.441 118 W C 1.879 178.356 176.519 -0.069 0.000 0.853 118 W CA -0.498 56.811 57.345 -0.060 0.000 2.222 118 W CB 0.038 29.447 29.460 -0.086 0.000 1.139 118 W HN 0.370 nan 8.180 nan 0.000 0.819 119 S N 0.018 115.758 115.700 0.066 0.000 2.453 119 S HA -0.247 4.138 4.470 -0.143 0.000 0.231 119 S C 1.834 176.462 174.600 0.047 0.000 1.005 119 S CA 1.329 59.552 58.200 0.038 0.000 0.949 119 S CB -0.470 62.730 63.200 0.001 0.000 0.774 119 S HN 0.459 nan 8.310 nan 0.000 0.510 120 N N 3.198 121.936 118.700 0.063 0.000 2.381 120 N HA -0.107 4.547 4.740 -0.143 0.000 0.182 120 N C 1.630 177.181 175.510 0.068 0.000 1.025 120 N CA 1.641 54.728 53.050 0.061 0.000 0.888 120 N CB -0.667 37.861 38.487 0.068 0.000 0.965 120 N HN 0.825 nan 8.380 nan 0.000 0.438 121 I N -5.115 115.510 120.570 0.092 0.000 4.312 121 I HA 0.356 4.441 4.170 -0.143 0.000 0.324 121 I C 0.276 176.395 176.117 0.004 0.000 1.298 121 I CA -0.128 61.197 61.300 0.042 0.000 1.231 121 I CB 0.831 38.848 38.000 0.029 0.000 1.152 121 I HN -0.036 nan 8.210 nan 0.000 0.421 122 T N 0.272 114.836 114.554 0.016 0.000 2.932 122 T HA 0.667 4.932 4.350 -0.143 0.000 0.318 122 T C -0.084 174.606 174.700 -0.017 0.000 1.265 122 T CA 0.045 62.129 62.100 -0.027 0.000 1.036 122 T CB 1.941 70.765 68.868 -0.073 0.000 1.209 122 T HN 0.155 nan 8.240 nan 0.000 0.484 123 A N 2.176 124.979 122.820 -0.029 0.000 2.307 123 A HA 0.689 4.924 4.320 -0.143 0.000 0.218 123 A C 1.195 178.762 177.584 -0.028 0.000 1.228 123 A CA 0.398 52.432 52.037 -0.004 0.000 0.857 123 A CB -0.602 18.425 19.000 0.044 0.000 0.897 123 A HN 1.192 nan 8.150 nan 0.000 0.495 124 A N 0.038 122.807 122.820 -0.084 0.000 2.524 124 A HA 0.368 4.602 4.320 -0.143 0.000 0.250 124 A C 1.432 178.971 177.584 -0.075 0.000 1.078 124 A CA 0.573 52.550 52.037 -0.100 0.000 0.761 124 A CB 0.132 18.992 19.000 -0.233 0.000 1.012 124 A HN 0.426 nan 8.150 nan 0.000 0.500 125 S N 1.902 117.629 115.700 0.046 0.000 2.402 125 S HA -0.143 4.241 4.470 -0.143 0.000 0.229 125 S C 1.502 176.170 174.600 0.112 0.000 1.021 125 S CA 1.836 60.082 58.200 0.077 0.000 0.974 125 S CB -0.569 62.698 63.200 0.111 0.000 0.800 125 S HN 1.032 nan 8.310 nan 0.000 0.484 126 F N 0.396 120.363 119.950 0.028 0.000 2.604 126 F HA 0.332 4.774 4.527 -0.142 0.000 0.298 126 F C 1.044 176.953 175.800 0.182 0.000 1.131 126 F CA 0.472 58.532 58.000 0.099 0.000 1.457 126 F CB -0.176 38.852 39.000 0.047 0.000 1.095 126 F HN 0.100 nan 8.300 nan 0.000 0.574 127 L N 0.606 121.510 121.223 -0.531 0.000 2.959 127 L HA 0.396 4.650 4.340 -0.143 0.000 0.259 127 L C 1.928 178.812 176.870 0.024 0.000 1.185 127 L CA 0.188 54.897 54.840 -0.219 0.000 0.998 127 L CB 0.391 42.199 42.059 -0.417 0.000 1.337 127 L HN 0.314 nan 8.230 nan 0.000 0.555 128 G N 0.013 108.804 108.800 -0.014 0.000 3.042 128 G HA2 0.486 4.361 3.960 -0.143 0.000 0.212 128 G HA3 0.486 4.361 3.960 -0.143 0.000 0.212 128 G C 0.382 175.266 174.900 -0.027 0.000 1.166 128 G CA 0.712 45.807 45.100 -0.009 0.000 0.767 128 G HN 0.327 nan 8.290 nan 0.000 0.546 129 A N -0.434 122.372 122.820 -0.025 0.000 2.612 129 A HA 0.661 4.896 4.320 -0.143 0.000 0.293 129 A C -0.731 176.825 177.584 -0.046 0.000 1.075 129 A CA -0.791 51.218 52.037 -0.046 0.000 0.680 129 A CB 1.105 20.101 19.000 -0.006 0.000 1.279 129 A HN 0.077 nan 8.150 nan 0.000 0.411 130 K N 0.899 121.258 120.400 -0.069 0.000 2.322 130 K HA 0.331 4.565 4.320 -0.143 0.000 0.283 130 K C -0.651 175.952 176.600 0.006 0.000 1.042 130 K CA 0.458 56.718 56.287 -0.044 0.000 0.958 130 K CB 0.156 32.615 32.500 -0.069 0.000 0.984 130 K HN 0.606 nan 8.250 nan 0.000 0.473 131 D N 1.253 121.678 120.400 0.040 0.000 3.076 131 D HA -0.183 4.372 4.640 -0.143 0.000 0.218 131 D C -0.531 175.801 176.300 0.052 0.000 1.156 131 D CA 1.003 55.032 54.000 0.049 0.000 0.921 131 D CB -0.750 40.071 40.800 0.034 0.000 1.113 131 D HN 0.602 nan 8.370 nan 0.000 0.418 132 K N 1.097 121.535 120.400 0.063 0.000 2.349 132 K HA 0.167 4.401 4.320 -0.143 0.000 0.288 132 K C 0.147 176.827 176.600 0.133 0.000 1.058 132 K CA 0.110 56.456 56.287 0.098 0.000 0.953 132 K CB 0.580 33.149 32.500 0.115 0.000 0.997 132 K HN 0.046 nan 8.250 nan 0.000 0.477 133 Q N 2.231 122.118 119.800 0.144 0.000 2.256 133 Q HA 0.278 4.533 4.340 -0.143 0.000 0.257 133 Q C -0.957 175.197 176.000 0.257 0.000 0.936 133 Q CA -0.605 55.304 55.803 0.178 0.000 0.903 133 Q CB 2.238 31.052 28.738 0.127 0.000 1.263 133 Q HN 0.524 nan 8.270 nan 0.000 0.440 134 T N 3.316 118.090 114.554 0.367 0.000 2.881 134 T HA 0.401 4.665 4.350 -0.143 0.000 0.290 134 T C -2.584 172.333 174.700 0.363 0.000 1.000 134 T CA -1.573 60.763 62.100 0.394 0.000 0.978 134 T CB 1.605 70.796 68.868 0.539 0.000 0.997 134 T HN 0.298 nan 8.240 nan 0.000 0.443 135 P HA 0.317 nan 4.420 nan 0.000 0.269 135 P C -0.799 176.706 177.300 0.342 0.000 1.209 135 P CA -0.411 62.839 63.100 0.250 0.000 0.776 135 P CB 0.508 32.292 31.700 0.140 0.000 0.876 136 V N -0.325 119.745 119.914 0.261 0.000 3.049 136 V HA 0.710 4.744 4.120 -0.143 0.000 0.309 136 V C -1.392 174.806 176.094 0.172 0.000 1.148 136 V CA -0.992 61.396 62.300 0.147 0.000 0.990 136 V CB 2.241 33.978 31.823 -0.142 0.000 1.039 136 V HN 0.358 nan 8.190 nan 0.000 0.430 137 F N 2.340 122.260 119.950 -0.050 0.000 2.518 137 F HA 0.851 5.293 4.527 -0.142 0.000 0.323 137 F C -0.793 174.868 175.800 -0.232 0.000 1.129 137 F CA -0.565 57.326 58.000 -0.182 0.000 0.920 137 F CB 2.085 40.974 39.000 -0.184 0.000 1.160 137 F HN 0.546 nan 8.300 nan 0.000 0.440 138 V N 6.364 125.799 119.914 -0.799 0.000 2.555 138 V HA 0.561 4.595 4.120 -0.143 0.000 0.302 138 V C -0.680 174.814 176.094 -1.000 0.000 1.038 138 V CA -0.859 60.918 62.300 -0.872 0.000 0.887 138 V CB 1.883 33.037 31.823 -1.115 0.000 0.991 138 V HN 0.733 nan 8.190 nan 0.000 0.434 139 R N 3.390 123.371 120.500 -0.865 0.000 2.439 139 R HA 0.612 4.866 4.340 -0.143 0.000 0.310 139 R C -1.583 174.159 176.300 -0.931 0.000 0.955 139 R CA -0.424 55.285 56.100 -0.651 0.000 0.853 139 R CB 1.043 31.266 30.300 -0.128 0.000 1.171 139 R HN 0.555 nan 8.270 nan 0.000 0.449 140 F N 1.792 121.341 119.950 -0.669 0.000 2.403 140 F HA 0.538 4.979 4.527 -0.143 0.000 0.326 140 F C 0.606 176.131 175.800 -0.457 0.000 1.081 140 F CA -0.140 57.378 58.000 -0.803 0.000 1.041 140 F CB 2.010 40.025 39.000 -1.642 0.000 1.234 140 F HN 0.599 nan 8.300 nan 0.000 0.503 141 S N -1.257 114.474 115.700 0.052 0.000 2.611 141 S HA 0.594 4.979 4.470 -0.143 0.000 0.268 141 S C -0.567 174.198 174.600 0.276 0.000 1.156 141 S CA -0.676 57.658 58.200 0.223 0.000 0.817 141 S CB 1.187 64.530 63.200 0.238 0.000 1.122 141 S HN 0.775 nan 8.310 nan 0.000 0.466 142 T N -1.324 113.310 114.554 0.134 0.000 2.973 142 T HA 0.724 4.988 4.350 -0.143 0.000 0.308 142 T C 0.790 175.309 174.700 -0.300 0.000 1.177 142 T CA 0.170 62.190 62.100 -0.132 0.000 0.938 142 T CB 0.114 68.919 68.868 -0.105 0.000 1.791 142 T HN 0.735 nan 8.240 nan 0.000 0.581 143 V N -0.496 119.221 119.914 -0.329 0.000 3.449 143 V HA 0.397 4.432 4.120 -0.143 0.000 0.208 143 V C 2.724 178.700 176.094 -0.198 0.000 1.269 143 V CA 0.617 62.631 62.300 -0.477 0.000 1.301 143 V CB -0.605 31.054 31.823 -0.272 0.000 1.306 143 V HN 0.985 nan 8.190 nan 0.000 0.531 144 A N 0.463 123.221 122.820 -0.104 0.000 1.930 144 A HA 0.295 4.530 4.320 -0.143 0.000 0.215 144 A C 1.576 179.141 177.584 -0.030 0.000 1.176 144 A CA 1.105 53.109 52.037 -0.056 0.000 0.632 144 A CB -0.997 17.986 19.000 -0.028 0.000 0.819 144 A HN 0.619 nan 8.150 nan 0.000 0.445 145 G N 0.299 109.089 108.800 -0.017 0.000 2.432 145 G HA2 0.395 4.269 3.960 -0.143 0.000 0.239 145 G HA3 0.395 4.269 3.960 -0.143 0.000 0.239 145 G C 0.198 175.105 174.900 0.011 0.000 1.291 145 G CA 0.251 45.354 45.100 0.005 0.000 0.863 145 G HN 0.315 nan 8.290 nan 0.000 0.560 146 S N 0.426 116.133 115.700 0.012 0.000 2.641 146 S HA 0.272 4.656 4.470 -0.143 0.000 0.261 146 S C 0.851 175.471 174.600 0.033 0.000 1.257 146 S CA -0.580 57.631 58.200 0.017 0.000 0.983 146 S CB 0.554 63.758 63.200 0.007 0.000 0.990 146 S HN 0.582 nan 8.310 nan 0.000 0.572 147 R N 0.373 120.895 120.500 0.037 0.000 2.484 147 R HA 0.340 4.594 4.340 -0.143 0.000 0.293 147 R C 1.249 177.568 176.300 0.031 0.000 1.023 147 R CA 0.908 57.037 56.100 0.049 0.000 1.037 147 R CB -0.154 30.179 30.300 0.055 0.000 0.951 147 R HN 1.001 nan 8.270 nan 0.000 0.418 148 G N 1.489 110.308 108.800 0.031 0.000 2.213 148 G HA2 -0.313 3.561 3.960 -0.143 0.000 0.226 148 G HA3 -0.313 3.561 3.960 -0.143 0.000 0.226 148 G C 0.189 175.099 174.900 0.017 0.000 0.992 148 G CA 0.111 45.220 45.100 0.014 0.000 0.632 148 G HN 0.701 nan 8.290 nan 0.000 0.511 149 S N 0.490 116.207 115.700 0.028 0.000 2.600 149 S HA 0.726 5.110 4.470 -0.143 0.000 0.265 149 S C 0.799 175.419 174.600 0.034 0.000 1.325 149 S CA 0.503 58.720 58.200 0.029 0.000 1.002 149 S CB 1.643 64.863 63.200 0.034 0.000 0.921 149 S HN 1.926 nan 8.310 nan 0.000 0.554 150 A N 0.757 123.593 122.820 0.025 0.000 2.407 150 A HA 0.287 4.521 4.320 -0.143 0.000 0.248 150 A C 0.878 178.482 177.584 0.033 0.000 1.082 150 A CA -0.488 51.554 52.037 0.009 0.000 0.785 150 A CB -0.172 18.816 19.000 -0.020 0.000 1.020 150 A HN 0.896 nan 8.150 nan 0.000 0.489 151 D N 0.823 121.223 120.400 -0.000 0.000 2.149 151 D HA -0.094 4.460 4.640 -0.143 0.000 0.201 151 D C 1.773 178.059 176.300 -0.024 0.000 0.972 151 D CA 2.223 56.224 54.000 0.002 0.000 0.835 151 D CB -0.176 40.513 40.800 -0.186 0.000 0.966 151 D HN 0.717 nan 8.370 nan 0.000 0.476 152 T N -1.448 113.028 114.554 -0.130 0.000 3.312 152 T HA 0.520 4.784 4.350 -0.143 0.000 0.251 152 T C 0.531 175.268 174.700 0.061 0.000 1.012 152 T CA -0.508 61.544 62.100 -0.081 0.000 0.925 152 T CB -0.052 68.654 68.868 -0.270 0.000 1.049 152 T HN 0.038 nan 8.240 nan 0.000 0.583 153 A N 1.549 124.449 122.820 0.135 0.000 2.371 153 A HA 0.541 4.775 4.320 -0.143 0.000 0.257 153 A C 0.574 178.346 177.584 0.314 0.000 1.089 153 A CA -0.872 51.305 52.037 0.233 0.000 0.794 153 A CB 0.243 19.342 19.000 0.165 0.000 1.029 153 A HN 0.600 nan 8.150 nan 0.000 0.488 154 R N 1.458 122.196 120.500 0.396 0.000 2.351 154 R HA 0.272 4.526 4.340 -0.143 0.000 0.318 154 R C -1.303 175.091 176.300 0.156 0.000 1.055 154 R CA 0.302 56.547 56.100 0.242 0.000 0.968 154 R CB 0.072 30.358 30.300 -0.023 0.000 0.974 154 R HN 0.828 nan 8.270 nan 0.000 0.439 155 D N 2.352 122.845 120.400 0.155 0.000 2.694 155 D HA 0.116 4.670 4.640 -0.143 0.000 0.260 155 D C -1.134 175.215 176.300 0.081 0.000 1.250 155 D CA -0.482 53.553 54.000 0.059 0.000 0.763 155 D CB 1.901 42.662 40.800 -0.064 0.000 1.311 155 D HN 0.176 nan 8.370 nan 0.000 0.420 156 V N 2.169 122.145 119.914 0.102 0.000 2.740 156 V HA 0.203 4.237 4.120 -0.143 0.000 0.303 156 V C 0.025 176.169 176.094 0.082 0.000 1.054 156 V CA 0.341 62.745 62.300 0.173 0.000 1.106 156 V CB 0.548 32.493 31.823 0.204 0.000 0.957 156 V HN 0.468 nan 8.190 nan 0.000 0.486 157 H N 1.284 120.497 119.070 0.239 0.000 2.529 157 H HA 0.637 5.108 4.556 -0.143 0.000 0.348 157 H C 0.520 176.042 175.328 0.322 0.000 1.152 157 H CA 0.258 56.471 56.048 0.274 0.000 1.202 157 H CB 1.536 31.472 29.762 0.290 0.000 1.562 157 H HN 0.864 nan 8.280 nan 0.000 0.515 158 G N 0.936 109.997 108.800 0.435 0.000 2.420 158 G HA2 0.383 4.257 3.960 -0.143 0.000 0.284 158 G HA3 0.383 4.257 3.960 -0.143 0.000 0.284 158 G C -1.150 173.821 174.900 0.119 0.000 1.177 158 G CA -0.371 44.905 45.100 0.294 0.000 0.841 158 G HN 0.592 nan 8.290 nan 0.000 0.527 159 F N 2.165 122.006 119.950 -0.181 0.000 2.931 159 F HA 0.524 4.965 4.527 -0.142 0.000 0.375 159 F C 0.233 175.679 175.800 -0.589 0.000 1.243 159 F CA -0.872 56.884 58.000 -0.407 0.000 1.206 159 F CB 0.951 39.820 39.000 -0.219 0.000 1.643 159 F HN 0.652 nan 8.300 nan 0.000 0.593 160 A N 2.997 125.438 122.820 -0.631 0.000 2.260 160 A HA 0.737 4.971 4.320 -0.143 0.000 0.314 160 A C -0.466 176.539 177.584 -0.964 0.000 1.257 160 A CA -0.279 51.203 52.037 -0.925 0.000 0.871 160 A CB 0.730 18.803 19.000 -1.544 0.000 1.166 160 A HN 0.455 nan 8.150 nan 0.000 0.522 161 T N 2.286 116.471 114.554 -0.614 0.000 2.848 161 T HA 0.537 4.801 4.350 -0.143 0.000 0.285 161 T C -0.155 174.328 174.700 -0.360 0.000 0.995 161 T CA -0.491 61.306 62.100 -0.506 0.000 0.970 161 T CB 1.247 69.767 68.868 -0.580 0.000 0.976 161 T HN 0.744 nan 8.240 nan 0.000 0.441 162 R N 2.250 122.593 120.500 -0.262 0.000 2.514 162 R HA 0.583 4.837 4.340 -0.143 0.000 0.301 162 R C -1.508 174.402 176.300 -0.651 0.000 0.962 162 R CA -0.683 55.186 56.100 -0.384 0.000 0.882 162 R CB 0.644 30.693 30.300 -0.419 0.000 1.143 162 R HN 0.488 nan 8.270 nan 0.000 0.452 163 F N 4.461 124.165 119.950 -0.411 0.000 2.332 163 F HA 0.301 4.742 4.527 -0.142 0.000 0.368 163 F C -0.567 175.052 175.800 -0.302 0.000 1.110 163 F CA -0.627 57.177 58.000 -0.327 0.000 1.087 163 F CB 0.996 39.664 39.000 -0.554 0.000 1.235 163 F HN 0.492 nan 8.300 nan 0.000 0.470 164 Y N 1.892 122.222 120.300 0.051 0.000 2.603 164 Y HA 0.134 4.598 4.550 -0.143 0.000 0.341 164 Y C 1.298 177.243 175.900 0.076 0.000 1.272 164 Y CA -0.706 57.414 58.100 0.033 0.000 1.891 164 Y CB -0.750 37.724 38.460 0.023 0.000 1.910 164 Y HN 0.519 nan 8.280 nan 0.000 0.432 165 T N -3.501 111.140 114.554 0.145 0.000 2.816 165 T HA 0.085 4.349 4.350 -0.143 0.000 0.282 165 T C 0.867 175.650 174.700 0.138 0.000 0.993 165 T CA -0.540 61.654 62.100 0.156 0.000 0.994 165 T CB 1.044 69.976 68.868 0.107 0.000 1.025 165 T HN 0.542 nan 8.240 nan 0.000 0.529 166 D N -1.120 119.366 120.400 0.143 0.000 2.363 166 D HA 0.027 4.581 4.640 -0.143 0.000 0.226 166 D C 0.560 176.915 176.300 0.093 0.000 1.020 166 D CA 0.190 54.257 54.000 0.110 0.000 0.892 166 D CB -0.147 40.716 40.800 0.106 0.000 0.900 166 D HN 0.809 nan 8.370 nan 0.000 0.531 167 E N 0.274 120.530 120.200 0.093 0.000 3.575 167 E HA 0.455 4.719 4.350 -0.143 0.000 0.201 167 E C 0.106 176.743 176.600 0.061 0.000 0.999 167 E CA -0.497 55.951 56.400 0.079 0.000 1.315 167 E CB 0.775 30.527 29.700 0.086 0.000 1.146 167 E HN 0.315 nan 8.360 nan 0.000 0.453 168 G N 1.496 110.323 108.800 0.044 0.000 2.663 168 G HA2 -0.201 3.673 3.960 -0.143 0.000 0.686 168 G HA3 -0.201 3.673 3.960 -0.143 0.000 0.686 168 G C -0.785 174.098 174.900 -0.028 0.000 1.288 168 G CA -1.146 43.955 45.100 0.003 0.000 0.836 168 G HN 0.170 nan 8.290 nan 0.000 0.584 169 N N -0.325 118.301 118.700 -0.124 0.000 2.470 169 N HA 0.536 5.190 4.740 -0.143 0.000 0.268 169 N C -0.617 174.835 175.510 -0.097 0.000 1.136 169 N CA -0.001 52.916 53.050 -0.221 0.000 0.961 169 N CB 0.869 39.084 38.487 -0.454 0.000 1.067 169 N HN 0.535 nan 8.380 nan 0.000 0.468 170 F N 2.034 121.842 119.950 -0.237 0.000 2.444 170 F HA 0.378 4.820 4.527 -0.143 0.000 0.342 170 F C -0.794 174.934 175.800 -0.120 0.000 1.121 170 F CA -1.187 56.695 58.000 -0.197 0.000 0.997 170 F CB 0.965 39.751 39.000 -0.358 0.000 1.130 170 F HN 0.269 nan 8.300 nan 0.000 0.454 171 D N 6.716 126.714 120.400 -0.670 0.000 2.375 171 D HA 0.396 4.951 4.640 -0.143 0.000 0.247 171 D C -0.367 175.389 176.300 -0.906 0.000 1.061 171 D CA 0.063 53.728 54.000 -0.558 0.000 0.834 171 D CB 2.222 42.943 40.800 -0.131 0.000 1.247 171 D HN 0.446 nan 8.370 nan 0.000 0.489 172 I N 2.314 122.448 120.570 -0.728 0.000 2.377 172 I HA 0.136 4.221 4.170 -0.143 0.000 0.282 172 I C -0.299 175.580 176.117 -0.396 0.000 1.091 172 I CA -0.722 60.189 61.300 -0.648 0.000 1.207 172 I CB 0.994 38.617 38.000 -0.628 0.000 1.429 172 I HN -0.035 nan 8.210 nan 0.000 0.491 173 V N 5.714 125.417 119.914 -0.350 0.000 2.387 173 V HA 0.466 4.501 4.120 -0.143 0.000 0.260 173 V C 0.875 176.844 176.094 -0.209 0.000 1.054 173 V CA -0.047 62.060 62.300 -0.322 0.000 0.967 173 V CB 0.369 31.999 31.823 -0.321 0.000 1.036 173 V HN 0.822 nan 8.190 nan 0.000 0.481 174 G N 4.174 112.873 108.800 -0.168 0.000 3.015 174 G HA2 0.643 4.517 3.960 -0.143 0.000 0.281 174 G HA3 0.643 4.517 3.960 -0.143 0.000 0.281 174 G C -1.072 173.846 174.900 0.030 0.000 1.386 174 G CA -0.701 44.364 45.100 -0.058 0.000 0.959 174 G HN 0.498 nan 8.290 nan 0.000 0.522 175 N N -0.644 118.125 118.700 0.115 0.000 2.577 175 N HA 0.232 4.887 4.740 -0.143 0.000 0.285 175 N C 0.382 176.077 175.510 0.308 0.000 1.309 175 N CA -0.740 52.449 53.050 0.231 0.000 0.798 175 N CB 1.543 40.166 38.487 0.226 0.000 1.463 175 N HN 0.569 nan 8.380 nan 0.000 0.518 176 N N 0.169 119.089 118.700 0.366 0.000 2.398 176 N HA 0.071 4.725 4.740 -0.143 0.000 0.188 176 N C -0.367 175.374 175.510 0.385 0.000 1.122 176 N CA 0.372 53.668 53.050 0.410 0.000 0.866 176 N CB 0.466 39.184 38.487 0.386 0.000 0.970 176 N HN 0.475 nan 8.380 nan 0.000 0.462 177 I N 1.225 121.870 120.570 0.124 0.000 2.465 177 I HA 0.268 4.352 4.170 -0.143 0.000 0.291 177 I C -1.705 173.940 176.117 -0.787 0.000 1.014 177 I CA -2.401 58.619 61.300 -0.466 0.000 1.093 177 I CB 2.843 40.582 38.000 -0.435 0.000 1.267 177 I HN -0.253 nan 8.210 nan 0.000 0.431 178 P HA -0.018 nan 4.420 nan 0.000 0.241 178 P C -0.050 176.813 177.300 -0.728 0.000 1.191 178 P CA 0.646 62.936 63.100 -1.349 0.000 0.771 178 P CB 0.102 30.747 31.700 -1.758 0.000 0.929 179 V N -4.414 115.038 119.914 -0.769 0.000 2.962 179 V HA 0.669 4.703 4.120 -0.143 0.000 0.313 179 V C -0.938 174.951 176.094 -0.341 0.000 1.099 179 V CA -1.392 60.638 62.300 -0.450 0.000 0.971 179 V CB 2.223 33.781 31.823 -0.442 0.000 1.028 179 V HN -0.183 nan 8.190 nan 0.000 0.430 180 F N 1.544 121.311 119.950 -0.306 0.000 2.541 180 F HA 0.709 5.150 4.527 -0.143 0.000 0.331 180 F C 0.879 176.593 175.800 -0.143 0.000 1.057 180 F CA -1.242 56.620 58.000 -0.229 0.000 0.975 180 F CB 1.946 40.927 39.000 -0.030 0.000 1.246 180 F HN 0.560 nan 8.300 nan 0.000 0.484 181 F N 2.114 121.721 119.950 -0.572 0.000 2.069 181 F HA -0.105 4.336 4.527 -0.143 0.000 0.298 181 F C 0.988 176.814 175.800 0.043 0.000 1.113 181 F CA 1.464 59.306 58.000 -0.262 0.000 1.214 181 F CB -0.458 38.348 39.000 -0.323 0.000 0.978 181 F HN 0.167 nan 8.300 nan 0.000 0.474 182 I N -2.343 118.491 120.570 0.439 0.000 2.750 182 I HA 0.344 4.428 4.170 -0.143 0.000 0.308 182 I C 0.345 176.698 176.117 0.394 0.000 1.016 182 I CA -0.783 60.764 61.300 0.411 0.000 1.098 182 I CB 1.655 39.934 38.000 0.465 0.000 1.279 182 I HN -0.023 nan 8.210 nan 0.000 0.454 183 Q N 0.456 120.451 119.800 0.324 0.000 2.378 183 Q HA 0.195 4.449 4.340 -0.143 0.000 0.216 183 Q C -0.470 175.701 176.000 0.285 0.000 0.892 183 Q CA 0.334 56.349 55.803 0.352 0.000 0.931 183 Q CB 0.618 29.616 28.738 0.433 0.000 1.086 183 Q HN 0.632 nan 8.270 nan 0.000 0.528 184 D N -1.084 119.454 120.400 0.231 0.000 2.646 184 D HA 0.342 4.896 4.640 -0.143 0.000 0.245 184 D C -0.208 176.201 176.300 0.182 0.000 1.099 184 D CA -0.277 53.816 54.000 0.155 0.000 0.849 184 D CB 1.929 42.786 40.800 0.096 0.000 1.448 184 D HN 0.002 nan 8.370 nan 0.000 0.489 185 A N 3.829 126.724 122.820 0.125 0.000 2.066 185 A HA -0.078 4.157 4.320 -0.143 0.000 0.218 185 A C 2.111 179.787 177.584 0.153 0.000 1.157 185 A CA 0.515 52.627 52.037 0.126 0.000 0.670 185 A CB -0.415 18.602 19.000 0.029 0.000 0.804 185 A HN 0.734 nan 8.150 nan 0.000 0.453 186 I N -0.787 119.850 120.570 0.111 0.000 2.567 186 I HA -0.195 3.890 4.170 -0.143 0.000 0.257 186 I C 1.900 178.097 176.117 0.133 0.000 1.184 186 I CA 0.991 62.349 61.300 0.098 0.000 1.451 186 I CB -0.028 38.005 38.000 0.054 0.000 1.089 186 I HN 0.265 nan 8.210 nan 0.000 0.441 187 R N -0.642 119.966 120.500 0.179 0.000 2.320 187 R HA -0.015 4.240 4.340 -0.143 0.000 0.211 187 R C 1.643 178.065 176.300 0.203 0.000 0.931 187 R CA 0.130 56.348 56.100 0.197 0.000 1.071 187 R CB -0.133 30.314 30.300 0.246 0.000 1.025 187 R HN 0.281 nan 8.270 nan 0.000 0.495 188 F N 2.684 122.677 119.950 0.072 0.000 2.146 188 F HA -0.001 4.440 4.527 -0.143 0.000 0.298 188 F C -0.929 174.812 175.800 -0.099 0.000 1.096 188 F CA 0.650 58.681 58.000 0.052 0.000 1.275 188 F CB -0.518 38.530 39.000 0.081 0.000 1.008 188 F HN -0.065 nan 8.300 nan 0.000 0.480 189 P HA -0.130 nan 4.420 nan 0.000 0.218 189 P C 1.116 178.071 177.300 -0.574 0.000 1.149 189 P CA 1.725 64.550 63.100 -0.458 0.000 0.817 189 P CB -0.066 31.477 31.700 -0.261 0.000 0.785 190 D N -0.727 119.494 120.400 -0.299 0.000 2.117 190 D HA -0.117 4.437 4.640 -0.143 0.000 0.198 190 D C 1.903 177.735 176.300 -0.779 0.000 0.982 190 D CA 0.909 54.734 54.000 -0.292 0.000 0.828 190 D CB -0.566 40.225 40.800 -0.015 0.000 0.967 190 D HN 0.095 nan 8.370 nan 0.000 0.464 191 L N 0.983 121.692 121.223 -0.857 0.000 2.027 191 L HA -0.118 4.136 4.340 -0.143 0.000 0.206 191 L C 2.027 178.386 176.870 -0.852 0.000 1.074 191 L CA 1.368 55.526 54.840 -1.137 0.000 0.745 191 L CB -0.395 41.329 42.059 -0.559 0.000 0.898 191 L HN -0.088 nan 8.230 nan 0.000 0.433 192 I N -0.743 119.376 120.570 -0.751 0.000 2.353 192 I HA -0.236 3.849 4.170 -0.143 0.000 0.248 192 I C 2.479 178.379 176.117 -0.361 0.000 1.119 192 I CA 1.326 62.271 61.300 -0.592 0.000 1.417 192 I CB -1.471 36.109 38.000 -0.700 0.000 1.078 192 I HN 0.455 nan 8.210 nan 0.000 0.421 193 H N 0.534 119.391 119.070 -0.356 0.000 2.387 193 H HA -0.127 4.344 4.556 -0.143 0.000 0.299 193 H C 2.504 177.684 175.328 -0.246 0.000 1.090 193 H CA 1.576 57.476 56.048 -0.246 0.000 1.332 193 H CB 0.265 29.906 29.762 -0.200 0.000 1.386 193 H HN 0.363 nan 8.280 nan 0.000 0.516 194 S N 0.663 116.204 115.700 -0.265 0.000 2.387 194 S HA -0.131 4.254 4.470 -0.143 0.000 0.226 194 S C 2.325 176.763 174.600 -0.271 0.000 1.026 194 S CA 1.167 59.181 58.200 -0.311 0.000 0.972 194 S CB -0.762 62.108 63.200 -0.551 0.000 0.814 194 S HN 0.351 nan 8.310 nan 0.000 0.477 195 V N -0.818 118.907 119.914 -0.316 0.000 2.649 195 V HA 0.255 4.289 4.120 -0.143 0.000 0.248 195 V C 0.977 177.106 176.094 0.058 0.000 1.054 195 V CA 0.337 62.525 62.300 -0.187 0.000 1.073 195 V CB -0.956 30.711 31.823 -0.260 0.000 0.699 195 V HN 0.255 nan 8.190 nan 0.000 0.463 196 K N 1.185 121.573 120.400 -0.020 0.000 2.149 196 K HA 0.331 4.565 4.320 -0.143 0.000 0.245 196 K C -2.358 174.229 176.600 -0.022 0.000 1.024 196 K CA -1.726 54.553 56.287 -0.013 0.000 0.899 196 K CB -0.004 32.475 32.500 -0.036 0.000 1.038 196 K HN 0.213 nan 8.250 nan 0.000 0.496 197 P HA -0.074 nan 4.420 nan 0.000 0.267 197 P C -0.616 176.616 177.300 -0.113 0.000 1.200 197 P CA 0.088 63.083 63.100 -0.176 0.000 0.772 197 P CB 0.572 32.199 31.700 -0.122 0.000 0.855 198 S N 3.446 119.070 115.700 -0.128 0.000 2.544 198 S HA 0.070 4.454 4.470 -0.143 0.000 0.290 198 S C -1.122 173.441 174.600 -0.061 0.000 1.276 198 S CA -1.020 57.146 58.200 -0.057 0.000 1.075 198 S CB -0.313 62.865 63.200 -0.035 0.000 0.849 198 S HN 0.323 nan 8.310 nan 0.000 0.494 199 P HA -0.073 nan 4.420 nan 0.000 0.226 199 P C 0.688 177.954 177.300 -0.057 0.000 1.153 199 P CA 0.783 63.839 63.100 -0.073 0.000 0.777 199 P CB -0.020 31.617 31.700 -0.104 0.000 0.794 200 D N 1.110 121.482 120.400 -0.046 0.000 2.137 200 D HA -0.135 4.419 4.640 -0.143 0.000 0.202 200 D C 1.246 177.527 176.300 -0.032 0.000 0.970 200 D CA 1.266 55.245 54.000 -0.035 0.000 0.837 200 D CB -1.193 39.591 40.800 -0.027 0.000 0.981 200 D HN 0.226 nan 8.370 nan 0.000 0.475 201 N N -0.249 118.431 118.700 -0.034 0.000 2.181 201 N HA -0.023 4.631 4.740 -0.143 0.000 0.207 201 N C -0.144 175.343 175.510 -0.038 0.000 1.182 201 N CA 0.297 53.328 53.050 -0.031 0.000 0.893 201 N CB -0.128 38.343 38.487 -0.025 0.000 1.032 201 N HN 0.299 nan 8.380 nan 0.000 0.513 202 E N -0.161 120.009 120.200 -0.050 0.000 2.271 202 E HA -0.156 4.108 4.350 -0.143 0.000 0.223 202 E C -1.522 175.037 176.600 -0.069 0.000 1.223 202 E CA 0.091 56.456 56.400 -0.059 0.000 0.704 202 E CB -1.126 28.548 29.700 -0.045 0.000 1.194 202 E HN 0.200 nan 8.360 nan 0.000 0.375 203 V N 1.491 121.350 119.914 -0.093 0.000 2.841 203 V HA 0.596 4.631 4.120 -0.143 0.000 0.310 203 V C -2.181 173.780 176.094 -0.221 0.000 1.090 203 V CA -1.209 61.025 62.300 -0.110 0.000 0.930 203 V CB 2.135 33.922 31.823 -0.060 0.000 1.014 203 V HN 0.196 nan 8.190 nan 0.000 0.425 204 P HA 0.392 nan 4.420 nan 0.000 0.285 204 P C -1.461 175.759 177.300 -0.133 0.000 1.269 204 P CA -0.791 62.211 63.100 -0.164 0.000 0.844 204 P CB 1.250 32.879 31.700 -0.119 0.000 1.094 205 Q N 1.937 121.707 119.800 -0.049 0.000 2.288 205 Q HA 0.460 4.715 4.340 -0.143 0.000 0.258 205 Q C 0.122 176.131 176.000 0.013 0.000 0.957 205 Q CA 0.147 55.937 55.803 -0.022 0.000 0.919 205 Q CB -0.454 28.281 28.738 -0.005 0.000 1.185 205 Q HN 0.670 nan 8.270 nan 0.000 0.408 206 A N 2.710 125.539 122.820 0.015 0.000 2.610 206 A HA 0.125 4.359 4.320 -0.143 0.000 0.299 206 A C -0.237 177.402 177.584 0.092 0.000 1.487 206 A CA 1.006 53.070 52.037 0.045 0.000 0.743 206 A CB -1.890 17.140 19.000 0.049 0.000 1.070 206 A HN 1.451 nan 8.150 nan 0.000 0.439 207 A N -0.892 121.989 122.820 0.102 0.000 2.566 207 A HA 0.814 5.048 4.320 -0.143 0.000 0.297 207 A C 0.662 178.407 177.584 0.269 0.000 1.059 207 A CA 0.571 52.712 52.037 0.174 0.000 0.691 207 A CB 0.451 19.557 19.000 0.177 0.000 1.282 207 A HN 1.685 nan 8.150 nan 0.000 0.401 208 T N -1.022 113.689 114.554 0.261 0.000 3.086 208 T HA 0.390 4.654 4.350 -0.143 0.000 0.250 208 T C 0.839 175.744 174.700 0.342 0.000 1.074 208 T CA 0.851 63.090 62.100 0.232 0.000 0.988 208 T CB -0.022 68.942 68.868 0.160 0.000 0.988 208 T HN 1.599 nan 8.240 nan 0.000 0.530 209 A N 2.397 125.458 122.820 0.402 0.000 3.037 209 A HA 0.552 4.786 4.320 -0.143 0.000 0.272 209 A C 0.060 177.825 177.584 0.301 0.000 1.723 209 A CA -0.676 51.535 52.037 0.289 0.000 1.413 209 A CB -1.322 17.625 19.000 -0.089 0.000 1.112 209 A HN 0.951 nan 8.150 nan 0.000 0.606 210 H N -3.393 115.817 119.070 0.233 0.000 2.967 210 H HA 0.462 4.933 4.556 -0.143 0.000 0.318 210 H C -0.221 175.214 175.328 0.179 0.000 1.375 210 H CA -0.742 55.393 56.048 0.144 0.000 1.132 210 H CB 0.154 29.960 29.762 0.073 0.000 1.848 210 H HN 0.076 nan 8.280 nan 0.000 0.524 211 D N 0.374 120.863 120.400 0.150 0.000 2.106 211 D HA -0.234 4.320 4.640 -0.143 0.000 0.191 211 D C 2.110 178.410 176.300 -0.001 0.000 0.997 211 D CA 3.015 57.061 54.000 0.077 0.000 0.834 211 D CB -0.215 40.630 40.800 0.075 0.000 0.956 211 D HN 0.578 nan 8.370 nan 0.000 0.448 212 S N 0.231 115.911 115.700 -0.034 0.000 2.382 212 S HA -0.088 4.296 4.470 -0.143 0.000 0.228 212 S C 2.124 176.539 174.600 -0.309 0.000 1.027 212 S CA 1.074 59.214 58.200 -0.101 0.000 0.991 212 S CB -0.501 62.695 63.200 -0.008 0.000 0.823 212 S HN 0.282 nan 8.310 nan 0.000 0.469 213 A N 1.091 123.547 122.820 -0.607 0.000 1.858 213 A HA 0.025 4.260 4.320 -0.143 0.000 0.216 213 A C 1.867 178.739 177.584 -1.186 0.000 1.190 213 A CA 1.242 52.715 52.037 -0.942 0.000 0.617 213 A CB -1.316 17.125 19.000 -0.932 0.000 0.827 213 A HN 0.738 nan 8.150 nan 0.000 0.443 214 W N -0.150 120.830 121.300 -0.532 0.000 2.800 214 W HA 0.065 4.639 4.660 -0.143 0.000 0.249 214 W C 1.701 178.143 176.519 -0.128 0.000 1.294 214 W CA 0.673 57.908 57.345 -0.185 0.000 1.402 214 W CB -0.089 29.380 29.460 0.015 0.000 1.126 214 W HN 0.495 nan 8.180 nan 0.000 0.652 215 D N -0.380 120.019 120.400 -0.001 0.000 2.123 215 D HA -0.228 4.326 4.640 -0.143 0.000 0.200 215 D C 1.836 178.119 176.300 -0.028 0.000 0.976 215 D CA 1.132 55.138 54.000 0.011 0.000 0.831 215 D CB -0.397 40.406 40.800 0.005 0.000 0.974 215 D HN 0.102 nan 8.370 nan 0.000 0.469 216 F N -0.197 119.567 119.950 -0.310 0.000 2.206 216 F HA -0.046 4.396 4.527 -0.142 0.000 0.298 216 F C 1.717 177.415 175.800 -0.170 0.000 1.090 216 F CA 0.982 58.806 58.000 -0.292 0.000 1.323 216 F CB -0.242 38.497 39.000 -0.436 0.000 1.028 216 F HN -0.118 nan 8.300 nan 0.000 0.492 217 F N 0.543 120.454 119.950 -0.064 0.000 2.171 217 F HA -0.153 4.288 4.527 -0.143 0.000 0.300 217 F C 2.931 178.671 175.800 -0.100 0.000 1.090 217 F CA 1.115 59.037 58.000 -0.131 0.000 1.293 217 F CB -1.778 37.106 39.000 -0.193 0.000 1.013 217 F HN 0.098 nan 8.300 nan 0.000 0.486 218 S N -1.285 114.503 115.700 0.147 0.000 2.395 218 S HA -0.096 4.288 4.470 -0.143 0.000 0.225 218 S C 2.062 176.664 174.600 0.005 0.000 1.027 218 S CA 1.112 59.381 58.200 0.115 0.000 0.965 218 S CB -0.765 62.528 63.200 0.154 0.000 0.812 218 S HN 0.223 nan 8.310 nan 0.000 0.482 219 S N 0.933 116.583 115.700 -0.082 0.000 2.406 219 S HA 0.096 4.481 4.470 -0.143 0.000 0.228 219 S C 1.022 175.474 174.600 -0.248 0.000 1.020 219 S CA 0.779 58.899 58.200 -0.134 0.000 0.965 219 S CB -0.213 62.908 63.200 -0.130 0.000 0.798 219 S HN 0.591 nan 8.310 nan 0.000 0.488 220 Q N 1.411 120.945 119.800 -0.442 0.000 2.644 220 Q HA 0.277 4.531 4.340 -0.143 0.000 0.245 220 Q C -2.213 173.570 176.000 -0.362 0.000 1.064 220 Q CA -2.349 53.146 55.803 -0.514 0.000 0.860 220 Q CB 1.222 29.362 28.738 -0.996 0.000 1.145 220 Q HN 0.077 nan 8.270 nan 0.000 0.515 221 P HA -0.112 nan 4.420 nan 0.000 0.234 221 P C 0.596 177.631 177.300 -0.441 0.000 1.167 221 P CA 0.762 63.687 63.100 -0.293 0.000 0.763 221 P CB 0.327 31.889 31.700 -0.230 0.000 0.835 222 S N 0.160 115.523 115.700 -0.561 0.000 2.419 222 S HA -0.055 4.330 4.470 -0.143 0.000 0.233 222 S C 2.092 176.648 174.600 -0.073 0.000 1.016 222 S CA 0.912 58.919 58.200 -0.323 0.000 0.974 222 S CB -1.152 61.927 63.200 -0.201 0.000 0.786 222 S HN 0.154 nan 8.310 nan 0.000 0.492 223 A N 1.448 124.260 122.820 -0.013 0.000 2.168 223 A HA 0.335 4.569 4.320 -0.143 0.000 0.215 223 A C 2.073 179.685 177.584 0.048 0.000 1.152 223 A CA 0.450 52.589 52.037 0.169 0.000 0.716 223 A CB -0.721 18.523 19.000 0.407 0.000 0.794 223 A HN 0.540 nan 8.150 nan 0.000 0.465 224 L N -1.500 119.712 121.223 -0.017 0.000 2.079 224 L HA -0.257 3.997 4.340 -0.143 0.000 0.210 224 L C 2.553 179.465 176.870 0.070 0.000 1.081 224 L CA 1.857 56.705 54.840 0.013 0.000 0.752 224 L CB -0.683 41.356 42.059 -0.034 0.000 0.896 224 L HN 0.649 nan 8.230 nan 0.000 0.433 225 H N -0.409 118.595 119.070 -0.110 0.000 2.293 225 H HA -0.165 4.306 4.556 -0.143 0.000 0.300 225 H C 2.130 177.454 175.328 -0.007 0.000 1.082 225 H CA 1.685 57.693 56.048 -0.067 0.000 1.308 225 H CB 0.336 30.051 29.762 -0.078 0.000 1.375 225 H HN 0.226 nan 8.280 nan 0.000 0.495 226 T N 1.693 116.089 114.554 -0.264 0.000 2.833 226 T HA -0.132 4.132 4.350 -0.143 0.000 0.269 226 T C 2.149 176.624 174.700 -0.376 0.000 1.054 226 T CA 0.780 62.529 62.100 -0.585 0.000 1.135 226 T CB -0.259 67.805 68.868 -1.339 0.000 0.869 226 T HN 0.271 nan 8.240 nan 0.000 0.466 227 L N -0.230 120.867 121.223 -0.210 0.000 1.989 227 L HA -0.108 4.146 4.340 -0.143 0.000 0.211 227 L C 2.190 179.100 176.870 0.068 0.000 1.071 227 L CA 1.738 56.487 54.840 -0.151 0.000 0.749 227 L CB -0.355 41.528 42.059 -0.294 0.000 0.890 227 L HN 0.269 nan 8.230 nan 0.000 0.431 228 F N -1.362 118.583 119.950 -0.007 0.000 2.134 228 F HA -0.294 4.147 4.527 -0.143 0.000 0.299 228 F C 2.082 177.940 175.800 0.098 0.000 1.097 228 F CA 1.494 59.574 58.000 0.134 0.000 1.264 228 F CB -0.397 38.767 39.000 0.274 0.000 1.001 228 F HN 0.165 nan 8.300 nan 0.000 0.479 229 W N -0.153 121.055 121.300 -0.154 0.000 2.358 229 W HA -0.162 4.412 4.660 -0.143 0.000 0.303 229 W C 2.558 179.055 176.519 -0.036 0.000 1.208 229 W CA 1.540 58.705 57.345 -0.299 0.000 1.274 229 W CB -0.913 28.207 29.460 -0.567 0.000 1.138 229 W HN -0.097 nan 8.180 nan 0.000 0.515 230 A N -0.850 122.063 122.820 0.154 0.000 2.015 230 A HA -0.138 4.096 4.320 -0.143 0.000 0.219 230 A C 1.882 179.532 177.584 0.110 0.000 1.163 230 A CA 1.290 53.402 52.037 0.126 0.000 0.646 230 A CB -0.466 18.575 19.000 0.067 0.000 0.806 230 A HN 0.110 nan 8.150 nan 0.000 0.448 231 M N 0.387 120.040 119.600 0.089 0.000 2.541 231 M HA 0.046 4.440 4.480 -0.143 0.000 0.252 231 M C 1.433 177.794 176.300 0.101 0.000 1.125 231 M CA 0.760 56.091 55.300 0.052 0.000 1.091 231 M CB -1.070 31.526 32.600 -0.008 0.000 1.420 231 M HN 0.561 nan 8.290 nan 0.000 0.486 232 S N -0.397 115.416 115.700 0.189 0.000 2.552 232 S HA 0.449 4.833 4.470 -0.143 0.000 0.271 232 S C 1.509 176.257 174.600 0.247 0.000 1.168 232 S CA -0.031 58.312 58.200 0.238 0.000 1.026 232 S CB 0.099 63.498 63.200 0.332 0.000 1.120 232 S HN 0.323 nan 8.310 nan 0.000 0.514 233 G N 0.518 109.511 108.800 0.322 0.000 2.470 233 G HA2 -0.172 3.702 3.960 -0.143 0.000 0.220 233 G HA3 -0.172 3.702 3.960 -0.143 0.000 0.220 233 G C 1.006 176.039 174.900 0.222 0.000 1.121 233 G CA 0.685 45.975 45.100 0.318 0.000 0.766 233 G HN 0.712 nan 8.290 nan 0.000 0.553 234 N N 0.719 119.583 118.700 0.273 0.000 2.381 234 N HA 0.003 4.658 4.740 -0.143 0.000 0.182 234 N C 2.207 177.888 175.510 0.286 0.000 1.025 234 N CA 1.027 54.250 53.050 0.288 0.000 0.888 234 N CB -0.272 38.469 38.487 0.422 0.000 0.965 234 N HN 0.292 nan 8.380 nan 0.000 0.438 235 G N 0.537 109.501 108.800 0.273 0.000 2.421 235 G HA2 -0.013 3.861 3.960 -0.143 0.000 0.217 235 G HA3 -0.013 3.861 3.960 -0.143 0.000 0.217 235 G C 0.648 175.757 174.900 0.349 0.000 1.143 235 G CA 0.332 45.608 45.100 0.294 0.000 0.784 235 G HN 0.444 nan 8.290 nan 0.000 0.541 236 I N -1.148 119.577 120.570 0.258 0.000 2.833 236 I HA 0.382 4.466 4.170 -0.143 0.000 0.286 236 I C -2.839 173.364 176.117 0.144 0.000 1.287 236 I CA -2.642 58.804 61.300 0.243 0.000 1.046 236 I CB 1.870 40.012 38.000 0.236 0.000 1.612 236 I HN -0.202 nan 8.210 nan 0.000 0.585 237 P HA 0.151 nan 4.420 nan 0.000 0.274 237 P C 0.518 177.822 177.300 0.007 0.000 1.237 237 P CA -0.312 62.758 63.100 -0.049 0.000 0.793 237 P CB 1.540 33.116 31.700 -0.206 0.000 0.977 238 R N 2.200 122.666 120.500 -0.056 0.000 2.080 238 R HA -0.075 4.179 4.340 -0.143 0.000 0.236 238 R C 0.747 177.062 176.300 0.026 0.000 1.137 238 R CA 2.224 58.331 56.100 0.011 0.000 0.943 238 R CB -0.841 29.284 30.300 -0.292 0.000 0.846 238 R HN 0.735 nan 8.270 nan 0.000 0.431 239 S N -3.730 111.823 115.700 -0.245 0.000 2.672 239 S HA 0.256 4.641 4.470 -0.143 0.000 0.271 239 S C 0.245 174.533 174.600 -0.520 0.000 1.171 239 S CA -0.672 57.236 58.200 -0.485 0.000 0.817 239 S CB -0.055 63.045 63.200 -0.167 0.000 1.150 239 S HN 0.068 nan 8.310 nan 0.000 0.478 240 Y N 1.049 121.016 120.300 -0.554 0.000 2.274 240 Y HA 0.102 4.566 4.550 -0.143 0.000 0.290 240 Y C 2.628 178.232 175.900 -0.492 0.000 1.145 240 Y CA 1.153 58.787 58.100 -0.776 0.000 1.203 240 Y CB -0.655 36.994 38.460 -1.352 0.000 0.984 240 Y HN 0.562 nan 8.280 nan 0.000 0.533 241 R N -0.790 119.638 120.500 -0.119 0.000 2.148 241 R HA -0.101 4.153 4.340 -0.143 0.000 0.227 241 R C 0.296 176.438 176.300 -0.264 0.000 1.103 241 R CA 1.189 57.206 56.100 -0.138 0.000 0.983 241 R CB -0.392 29.744 30.300 -0.273 0.000 0.874 241 R HN 0.446 nan 8.270 nan 0.000 0.451 242 H N -0.629 118.365 119.070 -0.128 0.000 2.577 242 H HA 0.296 4.767 4.556 -0.143 0.000 0.306 242 H C -0.270 175.040 175.328 -0.030 0.000 1.109 242 H CA 0.043 56.015 56.048 -0.126 0.000 1.063 242 H CB 0.053 29.683 29.762 -0.220 0.000 1.535 242 H HN -0.049 nan 8.280 nan 0.000 0.532 243 M N 0.157 119.876 119.600 0.198 0.000 2.535 243 M HA 0.266 4.661 4.480 -0.143 0.000 0.314 243 M C -0.677 175.882 176.300 0.432 0.000 1.153 243 M CA -0.956 54.510 55.300 0.277 0.000 0.924 243 M CB 2.145 34.907 32.600 0.270 0.000 1.710 243 M HN 0.068 nan 8.290 nan 0.000 0.451 244 D N 0.999 121.577 120.400 0.296 0.000 2.348 244 D HA 0.617 5.171 4.640 -0.143 0.000 0.249 244 D C -0.140 176.132 176.300 -0.047 0.000 1.110 244 D CA 0.202 54.283 54.000 0.136 0.000 0.967 244 D CB 1.542 42.335 40.800 -0.010 0.000 1.139 244 D HN 0.771 nan 8.370 nan 0.000 0.466 245 G N -0.233 108.259 108.800 -0.514 0.000 2.519 245 G HA2 0.634 4.508 3.960 -0.143 0.000 0.307 245 G HA3 0.634 4.508 3.960 -0.143 0.000 0.307 245 G C -1.521 172.823 174.900 -0.927 0.000 1.266 245 G CA -0.555 44.104 45.100 -0.735 0.000 0.970 245 G HN 0.249 nan 8.290 nan 0.000 0.481 246 F N -0.001 119.840 119.950 -0.181 0.000 2.574 246 F HA 0.474 4.915 4.527 -0.143 0.000 0.313 246 F C 1.134 176.841 175.800 -0.156 0.000 1.130 246 F CA -0.533 57.325 58.000 -0.235 0.000 0.936 246 F CB 2.599 41.429 39.000 -0.284 0.000 1.219 246 F HN 0.610 nan 8.300 nan 0.000 0.445 247 G N 1.615 110.462 108.800 0.080 0.000 2.484 247 G HA2 0.015 3.890 3.960 -0.143 0.000 0.218 247 G HA3 0.015 3.890 3.960 -0.143 0.000 0.218 247 G C 1.273 176.253 174.900 0.135 0.000 1.130 247 G CA 1.022 46.227 45.100 0.174 0.000 0.784 247 G HN 0.824 nan 8.290 nan 0.000 0.543 248 I N -1.353 119.238 120.570 0.035 0.000 4.624 248 I HA -0.314 3.771 4.170 -0.143 0.000 0.049 248 I C 0.502 176.555 176.117 -0.106 0.000 0.621 248 I CA 1.501 62.717 61.300 -0.140 0.000 0.836 248 I CB -1.312 36.493 38.000 -0.324 0.000 0.765 248 I HN 0.258 nan 8.210 nan 0.000 0.159 249 H N 2.481 121.604 119.070 0.089 0.000 2.690 249 H HA 0.232 4.702 4.556 -0.143 0.000 0.365 249 H C 0.124 175.429 175.328 -0.038 0.000 1.142 249 H CA 0.514 56.522 56.048 -0.065 0.000 1.417 249 H CB 0.403 29.960 29.762 -0.341 0.000 1.446 249 H HN 0.182 nan 8.280 nan 0.000 0.599 250 T N 4.208 118.788 114.554 0.044 0.000 2.779 250 T HA 0.207 4.471 4.350 -0.143 0.000 0.296 250 T C 0.245 174.885 174.700 -0.101 0.000 0.938 250 T CA 0.020 62.141 62.100 0.034 0.000 1.119 250 T CB -0.319 68.576 68.868 0.046 0.000 0.891 250 T HN 0.213 nan 8.240 nan 0.000 0.526 251 F N 1.503 121.514 119.950 0.101 0.000 2.525 251 F HA 0.605 5.046 4.527 -0.143 0.000 0.346 251 F C 1.116 176.934 175.800 0.030 0.000 1.072 251 F CA -1.251 56.828 58.000 0.132 0.000 1.033 251 F CB 1.297 40.466 39.000 0.282 0.000 1.324 251 F HN 0.179 nan 8.300 nan 0.000 0.491 252 R N 0.976 121.631 120.500 0.258 0.000 2.562 252 R HA 0.624 4.878 4.340 -0.143 0.000 0.298 252 R C -1.595 174.729 176.300 0.040 0.000 0.961 252 R CA -0.821 55.331 56.100 0.088 0.000 0.881 252 R CB 1.685 32.013 30.300 0.046 0.000 1.159 252 R HN 0.487 nan 8.270 nan 0.000 0.450 253 L N 3.470 124.673 121.223 -0.033 0.000 2.298 253 L HA 0.486 4.740 4.340 -0.143 0.000 0.284 253 L C -0.669 176.155 176.870 -0.076 0.000 1.013 253 L CA -0.981 53.818 54.840 -0.069 0.000 0.824 253 L CB 1.860 43.853 42.059 -0.110 0.000 1.221 253 L HN 0.269 nan 8.230 nan 0.000 0.418 254 V N 1.520 121.368 119.914 -0.111 0.000 2.513 254 V HA 0.463 4.498 4.120 -0.143 0.000 0.299 254 V C 0.585 176.657 176.094 -0.037 0.000 1.035 254 V CA -0.597 61.644 62.300 -0.098 0.000 0.889 254 V CB 1.864 33.542 31.823 -0.242 0.000 0.988 254 V HN 0.871 nan 8.190 nan 0.000 0.440 255 T N 0.604 115.175 114.554 0.030 0.000 2.814 255 T HA 0.299 4.564 4.350 -0.143 0.000 0.284 255 T C 0.911 175.691 174.700 0.134 0.000 0.998 255 T CA -0.495 61.639 62.100 0.057 0.000 0.935 255 T CB 0.917 69.809 68.868 0.039 0.000 1.167 255 T HN 0.570 nan 8.240 nan 0.000 0.545 256 E N 0.897 121.151 120.200 0.091 0.000 2.150 256 E HA -0.091 4.174 4.350 -0.143 0.000 0.193 256 E C 1.521 178.129 176.600 0.014 0.000 0.985 256 E CA 1.408 57.854 56.400 0.076 0.000 0.814 256 E CB -0.435 29.280 29.700 0.024 0.000 0.752 256 E HN 0.897 nan 8.360 nan 0.000 0.466 257 D N -1.119 119.292 120.400 0.018 0.000 2.340 257 D HA 0.104 4.659 4.640 -0.143 0.000 0.220 257 D C 1.299 177.601 176.300 0.003 0.000 1.039 257 D CA 0.758 54.748 54.000 -0.017 0.000 0.866 257 D CB 0.315 41.109 40.800 -0.010 0.000 0.913 257 D HN 0.179 nan 8.370 nan 0.000 0.523 258 G N -0.169 108.686 108.800 0.091 0.000 2.213 258 G HA2 -0.283 3.591 3.960 -0.143 0.000 0.226 258 G HA3 -0.283 3.591 3.960 -0.143 0.000 0.226 258 G C 0.168 175.129 174.900 0.103 0.000 0.992 258 G CA -0.135 45.064 45.100 0.165 0.000 0.632 258 G HN 0.417 nan 8.290 nan 0.000 0.511 259 K N 1.443 121.878 120.400 0.058 0.000 2.382 259 K HA 0.505 4.739 4.320 -0.143 0.000 0.275 259 K C 0.597 177.210 176.600 0.021 0.000 1.009 259 K CA 0.718 57.023 56.287 0.031 0.000 0.970 259 K CB 0.914 33.426 32.500 0.019 0.000 0.934 259 K HN 0.525 nan 8.250 nan 0.000 0.479 260 S N 1.858 117.562 115.700 0.007 0.000 2.632 260 S HA 0.612 4.996 4.470 -0.143 0.000 0.289 260 S C -0.975 173.617 174.600 -0.013 0.000 1.115 260 S CA -1.110 57.085 58.200 -0.009 0.000 0.889 260 S CB 2.020 65.212 63.200 -0.013 0.000 1.116 260 S HN 0.491 nan 8.310 nan 0.000 0.486 261 K N 0.547 120.932 120.400 -0.024 0.000 2.502 261 K HA 0.464 4.698 4.320 -0.143 0.000 0.257 261 K C -1.342 175.239 176.600 -0.032 0.000 0.938 261 K CA -0.653 55.618 56.287 -0.027 0.000 0.819 261 K CB 1.998 34.475 32.500 -0.037 0.000 1.333 261 K HN 0.593 nan 8.250 nan 0.000 0.434 262 L N 2.227 123.438 121.223 -0.020 0.000 2.380 262 L HA 0.416 4.670 4.340 -0.143 0.000 0.273 262 L C -0.160 176.682 176.870 -0.047 0.000 1.138 262 L CA -0.558 54.276 54.840 -0.011 0.000 0.832 262 L CB 0.974 43.039 42.059 0.010 0.000 1.124 262 L HN 0.267 nan 8.230 nan 0.000 0.454 263 V N 4.006 123.878 119.914 -0.070 0.000 2.841 263 V HA 0.506 4.540 4.120 -0.143 0.000 0.310 263 V C -0.920 175.062 176.094 -0.187 0.000 1.090 263 V CA -0.728 61.445 62.300 -0.212 0.000 0.930 263 V CB 2.300 33.855 31.823 -0.448 0.000 1.014 263 V HN 0.635 nan 8.190 nan 0.000 0.425 264 K N 4.987 125.273 120.400 -0.190 0.000 2.292 264 K HA 0.410 4.645 4.320 -0.143 0.000 0.257 264 K C -1.363 175.126 176.600 -0.186 0.000 0.940 264 K CA -0.169 56.073 56.287 -0.074 0.000 0.811 264 K CB 1.903 34.487 32.500 0.140 0.000 1.120 264 K HN 0.703 nan 8.250 nan 0.000 0.428 265 W N 2.519 123.800 121.300 -0.031 0.000 2.315 265 W HA 0.253 4.828 4.660 -0.142 0.000 0.316 265 W C 0.729 177.003 176.519 -0.408 0.000 1.211 265 W CA -0.287 56.937 57.345 -0.201 0.000 1.201 265 W CB 0.792 30.093 29.460 -0.265 0.000 1.184 265 W HN 0.307 nan 8.180 nan 0.000 0.544 266 H N 1.544 120.537 119.070 -0.128 0.000 2.759 266 H HA 0.160 4.630 4.556 -0.143 0.000 0.354 266 H C -1.493 173.560 175.328 -0.459 0.000 1.074 266 H CA -1.326 54.561 56.048 -0.269 0.000 1.226 266 H CB 1.310 31.003 29.762 -0.115 0.000 1.648 266 H HN 0.468 nan 8.280 nan 0.000 0.529 267 W N 3.274 124.395 121.300 -0.299 0.000 2.329 267 W HA 0.313 4.888 4.660 -0.142 0.000 0.312 267 W C 0.043 176.530 176.519 -0.054 0.000 1.054 267 W CA -0.772 56.435 57.345 -0.229 0.000 1.245 267 W CB 1.209 30.251 29.460 -0.698 0.000 1.255 267 W HN 0.128 nan 8.180 nan 0.000 0.436 268 K N 2.841 123.465 120.400 0.372 0.000 2.281 268 K HA 0.202 4.436 4.320 -0.143 0.000 0.272 268 K C 0.042 176.826 176.600 0.305 0.000 1.048 268 K CA -0.530 55.917 56.287 0.267 0.000 0.898 268 K CB 1.660 34.260 32.500 0.166 0.000 1.128 268 K HN 0.317 nan 8.250 nan 0.000 0.460 269 T N 2.739 117.428 114.554 0.226 0.000 2.870 269 T HA 0.068 4.333 4.350 -0.143 0.000 0.300 269 T C 1.066 175.666 174.700 -0.167 0.000 0.989 269 T CA -0.041 62.001 62.100 -0.098 0.000 1.139 269 T CB 0.312 69.137 68.868 -0.071 0.000 0.920 269 T HN 0.303 nan 8.240 nan 0.000 0.537 270 K N 3.711 123.929 120.400 -0.303 0.000 2.400 270 K HA 0.052 4.286 4.320 -0.143 0.000 0.194 270 K C 1.776 178.228 176.600 -0.246 0.000 1.033 270 K CA 0.622 56.787 56.287 -0.203 0.000 1.021 270 K CB 0.201 32.600 32.500 -0.168 0.000 0.808 270 K HN 0.625 nan 8.250 nan 0.000 0.505 271 Q N -0.006 119.564 119.800 -0.385 0.000 2.424 271 Q HA 0.141 4.395 4.340 -0.143 0.000 0.204 271 Q C 0.336 176.148 176.000 -0.313 0.000 0.933 271 Q CA 0.449 56.001 55.803 -0.418 0.000 0.929 271 Q CB 0.542 28.845 28.738 -0.725 0.000 1.037 271 Q HN 0.390 nan 8.270 nan 0.000 0.511 272 G N 0.779 109.448 108.800 -0.219 0.000 2.705 272 G HA2 -0.225 3.649 3.960 -0.143 0.000 0.686 272 G HA3 -0.225 3.649 3.960 -0.143 0.000 0.686 272 G C -1.065 173.788 174.900 -0.078 0.000 1.285 272 G CA -0.868 44.164 45.100 -0.112 0.000 0.800 272 G HN 0.081 nan 8.290 nan 0.000 0.611 273 K N 0.305 120.674 120.400 -0.051 0.000 2.298 273 K HA 0.622 4.856 4.320 -0.143 0.000 0.280 273 K C 0.438 176.924 176.600 -0.190 0.000 1.032 273 K CA 0.492 56.748 56.287 -0.051 0.000 0.958 273 K CB 1.324 33.818 32.500 -0.010 0.000 0.978 273 K HN 1.370 nan 8.250 nan 0.000 0.472 274 A N 1.489 124.152 122.820 -0.262 0.000 2.547 274 A HA 0.751 4.985 4.320 -0.143 0.000 0.297 274 A C -1.657 175.673 177.584 -0.423 0.000 1.056 274 A CA -0.655 51.031 52.037 -0.585 0.000 0.688 274 A CB 1.838 20.181 19.000 -1.095 0.000 1.282 274 A HN 0.680 nan 8.150 nan 0.000 0.400 275 A N 1.488 124.044 122.820 -0.440 0.000 2.498 275 A HA 0.801 5.035 4.320 -0.143 0.000 0.298 275 A C -0.726 176.923 177.584 0.109 0.000 1.075 275 A CA -0.524 51.402 52.037 -0.185 0.000 0.714 275 A CB 0.837 19.700 19.000 -0.229 0.000 1.299 275 A HN 0.920 nan 8.150 nan 0.000 0.407 276 L N 0.740 122.049 121.223 0.143 0.000 2.488 276 L HA 0.634 4.888 4.340 -0.143 0.000 0.249 276 L C 0.466 177.343 176.870 0.012 0.000 1.151 276 L CA -0.973 53.920 54.840 0.089 0.000 0.806 276 L CB 1.012 43.044 42.059 -0.045 0.000 1.261 276 L HN 0.658 nan 8.230 nan 0.000 0.484 277 V N -2.697 117.124 119.914 -0.155 0.000 2.837 277 V HA 0.151 4.185 4.120 -0.143 0.000 0.310 277 V C 0.649 176.623 176.094 -0.199 0.000 1.059 277 V CA -0.617 61.511 62.300 -0.287 0.000 1.004 277 V CB 1.508 33.197 31.823 -0.224 0.000 1.045 277 V HN 0.940 nan 8.190 nan 0.000 0.465 278 W N 2.394 123.507 121.300 -0.313 0.000 2.379 278 W HA -0.117 4.457 4.660 -0.143 0.000 0.307 278 W C 2.187 178.527 176.519 -0.298 0.000 1.200 278 W CA 1.971 59.146 57.345 -0.282 0.000 1.297 278 W CB 0.154 29.445 29.460 -0.281 0.000 1.140 278 W HN 0.962 nan 8.180 nan 0.000 0.507 279 E N 0.715 120.710 120.200 -0.342 0.000 2.160 279 E HA -0.313 3.951 4.350 -0.143 0.000 0.195 279 E C 1.719 177.974 176.600 -0.575 0.000 0.991 279 E CA 1.808 57.995 56.400 -0.354 0.000 0.810 279 E CB -0.995 28.753 29.700 0.081 0.000 0.742 279 E HN 0.538 nan 8.360 nan 0.000 0.466 280 E N 1.116 120.720 120.200 -0.995 0.000 2.072 280 E HA -0.071 4.193 4.350 -0.143 0.000 0.190 280 E C 2.139 178.147 176.600 -0.986 0.000 0.982 280 E CA 0.929 56.339 56.400 -1.650 0.000 0.803 280 E CB -0.096 28.607 29.700 -1.663 0.000 0.755 280 E HN 0.294 nan 8.360 nan 0.000 0.453 281 A N 0.989 123.366 122.820 -0.739 0.000 1.933 281 A HA -0.236 3.998 4.320 -0.143 0.000 0.218 281 A C 2.089 179.274 177.584 -0.665 0.000 1.175 281 A CA 1.537 53.220 52.037 -0.589 0.000 0.628 281 A CB -0.498 18.296 19.000 -0.343 0.000 0.814 281 A HN 0.336 nan 8.150 nan 0.000 0.444 282 Q N -0.566 118.690 119.800 -0.907 0.000 2.050 282 Q HA -0.126 4.129 4.340 -0.143 0.000 0.202 282 Q C 2.190 177.941 176.000 -0.416 0.000 0.980 282 Q CA 1.772 57.135 55.803 -0.733 0.000 0.840 282 Q CB -0.345 27.908 28.738 -0.808 0.000 0.898 282 Q HN 0.512 nan 8.270 nan 0.000 0.424 283 V N 1.022 120.707 119.914 -0.381 0.000 2.343 283 V HA -0.230 3.805 4.120 -0.143 0.000 0.247 283 V C 2.153 178.104 176.094 -0.239 0.000 1.051 283 V CA 1.261 63.431 62.300 -0.215 0.000 1.036 283 V CB -0.477 31.301 31.823 -0.075 0.000 0.654 283 V HN 0.310 nan 8.190 nan 0.000 0.451 284 L N 0.994 121.992 121.223 -0.375 0.000 2.201 284 L HA -0.015 4.239 4.340 -0.143 0.000 0.212 284 L C 2.409 179.103 176.870 -0.294 0.000 1.105 284 L CA 2.063 56.668 54.840 -0.392 0.000 0.775 284 L CB -0.980 40.709 42.059 -0.617 0.000 0.913 284 L HN 0.225 nan 8.230 nan 0.000 0.440 285 A N -0.763 121.897 122.820 -0.267 0.000 1.933 285 A HA -0.051 4.183 4.320 -0.143 0.000 0.218 285 A C 2.282 179.797 177.584 -0.115 0.000 1.175 285 A CA 1.566 53.498 52.037 -0.175 0.000 0.628 285 A CB -1.265 17.640 19.000 -0.158 0.000 0.814 285 A HN 0.505 nan 8.150 nan 0.000 0.444 286 G N -0.940 107.793 108.800 -0.112 0.000 2.441 286 G HA2 -0.038 3.837 3.960 -0.143 0.000 0.212 286 G HA3 -0.038 3.837 3.960 -0.143 0.000 0.212 286 G C 1.586 176.452 174.900 -0.058 0.000 1.164 286 G CA 0.527 45.586 45.100 -0.067 0.000 0.811 286 G HN 0.350 nan 8.290 nan 0.000 0.535 287 K N 0.137 120.492 120.400 -0.075 0.000 2.097 287 K HA -0.022 4.212 4.320 -0.143 0.000 0.205 287 K C 0.225 176.794 176.600 -0.051 0.000 1.050 287 K CA 0.590 56.844 56.287 -0.055 0.000 0.938 287 K CB -0.017 32.445 32.500 -0.063 0.000 0.718 287 K HN 0.307 nan 8.250 nan 0.000 0.442 288 N N -0.965 117.693 118.700 -0.070 0.000 2.747 288 N HA 0.188 4.843 4.740 -0.143 0.000 0.262 288 N C -0.448 175.044 175.510 -0.030 0.000 1.261 288 N CA 0.060 53.093 53.050 -0.028 0.000 0.809 288 N CB 1.170 39.674 38.487 0.029 0.000 1.450 288 N HN -0.059 nan 8.380 nan 0.000 0.560 289 A N 1.633 124.435 122.820 -0.030 0.000 2.119 289 A HA 0.003 4.237 4.320 -0.143 0.000 0.217 289 A C 0.589 178.170 177.584 -0.005 0.000 1.153 289 A CA 0.911 52.931 52.037 -0.028 0.000 0.692 289 A CB 0.034 19.020 19.000 -0.022 0.000 0.799 289 A HN 0.632 nan 8.150 nan 0.000 0.458 290 D N -1.134 119.271 120.400 0.007 0.000 2.722 290 D HA 0.130 4.684 4.640 -0.143 0.000 0.239 290 D C 0.571 176.887 176.300 0.027 0.000 1.249 290 D CA -0.239 53.768 54.000 0.012 0.000 0.830 290 D CB 0.017 40.803 40.800 -0.023 0.000 1.025 290 D HN 0.411 nan 8.370 nan 0.000 0.486 291 F N 1.322 121.179 119.950 -0.156 0.000 2.084 291 F HA -0.154 4.287 4.527 -0.143 0.000 0.296 291 F C 2.054 177.782 175.800 -0.120 0.000 1.111 291 F CA 1.745 59.637 58.000 -0.180 0.000 1.224 291 F CB -0.062 38.762 39.000 -0.293 0.000 0.991 291 F HN 0.119 nan 8.300 nan 0.000 0.471 292 H N -0.640 118.323 119.070 -0.177 0.000 2.363 292 H HA -0.058 4.412 4.556 -0.143 0.000 0.301 292 H C 2.302 177.437 175.328 -0.321 0.000 1.074 292 H CA 1.073 56.812 56.048 -0.515 0.000 1.354 292 H CB -0.091 29.084 29.762 -0.979 0.000 1.397 292 H HN 0.252 nan 8.280 nan 0.000 0.516 293 R N 1.025 121.592 120.500 0.112 0.000 2.090 293 R HA -0.126 4.129 4.340 -0.143 0.000 0.228 293 R C 2.087 178.502 176.300 0.191 0.000 1.110 293 R CA 1.585 57.855 56.100 0.283 0.000 0.973 293 R CB -0.252 30.230 30.300 0.303 0.000 0.869 293 R HN 0.325 nan 8.270 nan 0.000 0.440 294 Q N 1.017 120.848 119.800 0.052 0.000 2.172 294 Q HA -0.180 4.074 4.340 -0.143 0.000 0.200 294 Q C 1.355 177.374 176.000 0.032 0.000 0.964 294 Q CA 1.938 57.762 55.803 0.034 0.000 0.855 294 Q CB -0.010 28.698 28.738 -0.050 0.000 0.918 294 Q HN 0.479 nan 8.270 nan 0.000 0.444 295 D N -0.451 119.879 120.400 -0.118 0.000 2.097 295 D HA -0.200 4.355 4.640 -0.143 0.000 0.195 295 D C 1.773 178.066 176.300 -0.013 0.000 0.989 295 D CA 1.046 54.950 54.000 -0.159 0.000 0.827 295 D CB -0.056 40.526 40.800 -0.364 0.000 0.966 295 D HN 0.288 nan 8.370 nan 0.000 0.456 296 L N 0.046 121.305 121.223 0.059 0.000 2.093 296 L HA -0.049 4.206 4.340 -0.143 0.000 0.208 296 L C 1.966 178.938 176.870 0.170 0.000 1.085 296 L CA 1.502 56.419 54.840 0.129 0.000 0.755 296 L CB -0.769 41.436 42.059 0.243 0.000 0.904 296 L HN 0.372 nan 8.230 nan 0.000 0.435 297 W N 0.519 121.848 121.300 0.048 0.000 2.379 297 W HA -0.196 4.377 4.660 -0.144 0.000 0.307 297 W C 1.810 178.347 176.519 0.029 0.000 1.200 297 W CA 1.732 59.110 57.345 0.055 0.000 1.297 297 W CB -0.164 29.335 29.460 0.064 0.000 1.140 297 W HN 0.269 nan 8.180 nan 0.000 0.507 298 D N 0.262 120.825 120.400 0.271 0.000 2.178 298 D HA -0.094 4.460 4.640 -0.143 0.000 0.202 298 D C 2.295 178.624 176.300 0.048 0.000 0.974 298 D CA 1.682 55.775 54.000 0.155 0.000 0.841 298 D CB -0.683 40.186 40.800 0.115 0.000 0.953 298 D HN 0.122 nan 8.370 nan 0.000 0.478 299 A N 0.508 123.343 122.820 0.025 0.000 1.898 299 A HA -0.094 4.140 4.320 -0.143 0.000 0.216 299 A C 2.289 179.851 177.584 -0.037 0.000 1.181 299 A CA 0.786 52.818 52.037 -0.009 0.000 0.620 299 A CB -0.590 18.399 19.000 -0.017 0.000 0.819 299 A HN 0.183 nan 8.150 nan 0.000 0.442 300 I N -0.532 119.997 120.570 -0.068 0.000 2.353 300 I HA -0.158 3.927 4.170 -0.143 0.000 0.248 300 I C 2.334 178.371 176.117 -0.134 0.000 1.119 300 I CA 0.978 62.212 61.300 -0.111 0.000 1.417 300 I CB -0.298 37.602 38.000 -0.168 0.000 1.078 300 I HN 0.280 nan 8.210 nan 0.000 0.421 301 E N 0.752 120.855 120.200 -0.161 0.000 2.106 301 E HA -0.141 4.123 4.350 -0.143 0.000 0.192 301 E C 2.259 178.833 176.600 -0.043 0.000 0.984 301 E CA 1.587 57.915 56.400 -0.120 0.000 0.806 301 E CB -0.211 29.438 29.700 -0.086 0.000 0.750 301 E HN 0.494 nan 8.360 nan 0.000 0.458 302 S N -0.697 114.990 115.700 -0.021 0.000 2.607 302 S HA 0.150 4.534 4.470 -0.143 0.000 0.224 302 S C 1.447 176.039 174.600 -0.012 0.000 0.969 302 S CA 0.615 58.813 58.200 -0.003 0.000 0.927 302 S CB 0.096 63.303 63.200 0.011 0.000 0.772 302 S HN 0.282 nan 8.310 nan 0.000 0.533 303 G N 1.656 110.440 108.800 -0.026 0.000 2.171 303 G HA2 -0.194 3.681 3.960 -0.143 0.000 0.238 303 G HA3 -0.194 3.681 3.960 -0.143 0.000 0.238 303 G C -0.234 174.652 174.900 -0.024 0.000 1.039 303 G CA -0.077 45.008 45.100 -0.024 0.000 0.759 303 G HN 0.525 nan 8.290 nan 0.000 0.501 304 N N 0.600 119.281 118.700 -0.031 0.000 2.757 304 N HA 0.491 5.146 4.740 -0.143 0.000 0.296 304 N C 0.506 175.983 175.510 -0.054 0.000 1.874 304 N CA 0.411 53.438 53.050 -0.038 0.000 0.885 304 N CB 1.128 39.596 38.487 -0.032 0.000 1.242 304 N HN 0.753 nan 8.380 nan 0.000 0.488 305 A N 2.135 124.927 122.820 -0.048 0.000 2.524 305 A HA 0.275 4.509 4.320 -0.143 0.000 0.250 305 A C -1.804 175.729 177.584 -0.085 0.000 1.078 305 A CA -0.584 51.427 52.037 -0.044 0.000 0.761 305 A CB -0.139 18.852 19.000 -0.016 0.000 1.012 305 A HN 0.195 nan 8.150 nan 0.000 0.500 306 P HA 0.296 nan 4.420 nan 0.000 0.274 306 P C -0.426 176.667 177.300 -0.345 0.000 1.231 306 P CA -0.111 62.791 63.100 -0.330 0.000 0.790 306 P CB 1.244 32.703 31.700 -0.401 0.000 0.951 307 S N 0.995 116.355 115.700 -0.567 0.000 2.549 307 S HA 0.699 5.084 4.470 -0.143 0.000 0.280 307 S C -1.339 173.013 174.600 -0.415 0.000 1.109 307 S CA -0.793 57.260 58.200 -0.245 0.000 0.905 307 S CB 1.510 64.680 63.200 -0.049 0.000 1.081 307 S HN 0.509 nan 8.310 nan 0.000 0.477 308 W N 0.553 121.938 121.300 0.142 0.000 2.864 308 W HA 0.464 5.039 4.660 -0.143 0.000 0.343 308 W C -0.354 176.390 176.519 0.376 0.000 1.109 308 W CA -0.586 56.911 57.345 0.252 0.000 1.192 308 W CB 2.000 31.632 29.460 0.287 0.000 1.426 308 W HN 0.700 nan 8.180 nan 0.000 0.529 309 E N 1.840 122.370 120.200 0.550 0.000 2.156 309 E HA 0.207 4.471 4.350 -0.143 0.000 0.279 309 E C -0.852 175.970 176.600 0.371 0.000 0.965 309 E CA -1.035 55.608 56.400 0.405 0.000 0.789 309 E CB 2.144 31.998 29.700 0.256 0.000 1.098 309 E HN 0.093 nan 8.360 nan 0.000 0.397 310 L N 3.496 124.870 121.223 0.252 0.000 2.315 310 L HA 0.359 4.613 4.340 -0.143 0.000 0.283 310 L C -0.740 176.073 176.870 -0.094 0.000 1.089 310 L CA 0.262 54.996 54.840 -0.177 0.000 0.833 310 L CB 0.283 42.244 42.059 -0.163 0.000 1.170 310 L HN 0.570 nan 8.230 nan 0.000 0.442 311 A N 4.876 127.625 122.820 -0.119 0.000 2.384 311 A HA 0.887 5.121 4.320 -0.143 0.000 0.312 311 A C -1.133 176.402 177.584 -0.082 0.000 1.113 311 A CA -0.170 51.816 52.037 -0.085 0.000 0.779 311 A CB 1.897 20.868 19.000 -0.047 0.000 1.307 311 A HN 1.021 nan 8.150 nan 0.000 0.436 312 V N -1.090 118.733 119.914 -0.152 0.000 2.888 312 V HA 0.624 4.658 4.120 -0.143 0.000 0.309 312 V C -0.918 175.084 176.094 -0.154 0.000 1.114 312 V CA -0.750 61.434 62.300 -0.194 0.000 0.940 312 V CB 1.458 33.031 31.823 -0.417 0.000 1.021 312 V HN 0.863 nan 8.190 nan 0.000 0.426 313 Q N 3.656 123.406 119.800 -0.083 0.000 2.360 313 Q HA 0.629 4.883 4.340 -0.143 0.000 0.254 313 Q C -1.161 174.794 176.000 -0.075 0.000 0.975 313 Q CA -0.305 55.465 55.803 -0.055 0.000 0.912 313 Q CB 1.861 30.623 28.738 0.040 0.000 1.212 313 Q HN 0.725 nan 8.270 nan 0.000 0.452 314 L N 5.299 126.474 121.223 -0.080 0.000 2.282 314 L HA 0.570 4.824 4.340 -0.143 0.000 0.288 314 L C -0.189 176.672 176.870 -0.015 0.000 1.033 314 L CA -0.757 54.039 54.840 -0.073 0.000 0.807 314 L CB 0.710 42.715 42.059 -0.091 0.000 1.209 314 L HN 0.518 nan 8.230 nan 0.000 0.423 315 I N -1.479 119.094 120.570 0.005 0.000 2.994 315 I HA 0.551 4.635 4.170 -0.143 0.000 0.306 315 I C -0.793 175.340 176.117 0.026 0.000 1.195 315 I CA -0.765 60.563 61.300 0.047 0.000 1.001 315 I CB 1.829 39.901 38.000 0.122 0.000 1.244 315 I HN 0.347 nan 8.210 nan 0.000 0.437 316 D N 2.564 122.980 120.400 0.027 0.000 2.371 316 D HA 0.118 4.673 4.640 -0.143 0.000 0.242 316 D C 1.193 177.487 176.300 -0.011 0.000 1.218 316 D CA -0.201 53.801 54.000 0.003 0.000 0.945 316 D CB 1.117 41.915 40.800 -0.003 0.000 1.137 316 D HN 0.471 nan 8.370 nan 0.000 0.464 317 E N 0.373 120.562 120.200 -0.017 0.000 2.153 317 E HA -0.156 4.108 4.350 -0.143 0.000 0.194 317 E C 0.978 177.550 176.600 -0.046 0.000 0.988 317 E CA 0.919 57.305 56.400 -0.024 0.000 0.811 317 E CB -0.053 29.637 29.700 -0.016 0.000 0.746 317 E HN 0.485 nan 8.360 nan 0.000 0.466 318 D N 0.194 120.561 120.400 -0.055 0.000 2.363 318 D HA -0.083 4.471 4.640 -0.143 0.000 0.226 318 D C 0.844 177.058 176.300 -0.142 0.000 1.020 318 D CA 0.369 54.319 54.000 -0.083 0.000 0.892 318 D CB -0.009 40.749 40.800 -0.070 0.000 0.900 318 D HN -0.088 nan 8.370 nan 0.000 0.531 319 K N 0.271 120.581 120.400 -0.150 0.000 2.437 319 K HA 0.378 4.612 4.320 -0.143 0.000 0.205 319 K C 1.402 177.827 176.600 -0.293 0.000 1.026 319 K CA 0.133 56.250 56.287 -0.283 0.000 1.153 319 K CB 0.624 33.030 32.500 -0.156 0.000 0.863 319 K HN 0.195 nan 8.250 nan 0.000 0.502 320 A N 1.092 123.794 122.820 -0.197 0.000 1.902 320 A HA -0.156 4.079 4.320 -0.143 0.000 0.217 320 A C 1.316 178.754 177.584 -0.244 0.000 1.181 320 A CA 1.299 53.239 52.037 -0.162 0.000 0.623 320 A CB -0.029 18.917 19.000 -0.090 0.000 0.818 320 A HN 0.374 nan 8.150 nan 0.000 0.443 321 Q N -1.764 117.871 119.800 -0.274 0.000 2.217 321 Q HA 0.554 4.808 4.340 -0.143 0.000 0.340 321 Q C 0.680 176.454 176.000 -0.377 0.000 0.893 321 Q CA 0.264 55.894 55.803 -0.289 0.000 1.142 321 Q CB 1.013 29.652 28.738 -0.164 0.000 1.288 321 Q HN 0.525 nan 8.270 nan 0.000 0.426 322 A N -0.426 122.036 122.820 -0.596 0.000 2.035 322 A HA 0.100 4.335 4.320 -0.143 0.000 0.208 322 A C 0.601 177.710 177.584 -0.791 0.000 1.206 322 A CA 0.426 52.016 52.037 -0.745 0.000 0.773 322 A CB 0.098 18.480 19.000 -1.029 0.000 0.878 322 A HN 0.453 nan 8.150 nan 0.000 0.469 323 Y N -0.208 119.781 120.300 -0.518 0.000 2.801 323 Y HA 0.426 4.890 4.550 -0.143 0.000 0.318 323 Y C 1.546 177.218 175.900 -0.379 0.000 1.073 323 Y CA 0.143 57.870 58.100 -0.622 0.000 1.360 323 Y CB 0.183 38.183 38.460 -0.766 0.000 1.220 323 Y HN 0.383 nan 8.280 nan 0.000 0.536 324 G N 0.573 109.267 108.800 -0.176 0.000 2.179 324 G HA2 -0.331 3.544 3.960 -0.143 0.000 0.260 324 G HA3 -0.331 3.544 3.960 -0.143 0.000 0.260 324 G C -0.203 174.758 174.900 0.102 0.000 0.977 324 G CA 0.531 45.624 45.100 -0.012 0.000 0.641 324 G HN 0.527 nan 8.290 nan 0.000 0.533 325 F N -1.836 118.053 119.950 -0.101 0.000 2.779 325 F HA 0.760 5.202 4.527 -0.143 0.000 0.316 325 F C -1.113 174.611 175.800 -0.126 0.000 1.164 325 F CA -1.733 56.192 58.000 -0.126 0.000 0.924 325 F CB 0.811 39.722 39.000 -0.148 0.000 1.348 325 F HN -0.047 nan 8.300 nan 0.000 0.467 326 D N 1.452 121.834 120.400 -0.031 0.000 2.249 326 D HA 0.311 4.866 4.640 -0.143 0.000 0.246 326 D C 0.744 177.024 176.300 -0.034 0.000 1.114 326 D CA -0.144 53.777 54.000 -0.131 0.000 0.854 326 D CB 1.751 42.463 40.800 -0.147 0.000 1.132 326 D HN 0.754 nan 8.370 nan 0.000 0.461 327 L N 3.394 124.564 121.223 -0.089 0.000 2.275 327 L HA -0.078 4.176 4.340 -0.143 0.000 0.215 327 L C 2.099 179.012 176.870 0.072 0.000 1.119 327 L CA 0.547 55.413 54.840 0.044 0.000 0.790 327 L CB -0.010 42.048 42.059 -0.002 0.000 0.919 327 L HN 0.444 nan 8.230 nan 0.000 0.443 328 L N -1.073 120.184 121.223 0.057 0.000 2.478 328 L HA -0.039 4.216 4.340 -0.143 0.000 0.223 328 L C 0.565 177.514 176.870 0.132 0.000 1.140 328 L CA 0.064 54.986 54.840 0.137 0.000 0.842 328 L CB -0.360 41.855 42.059 0.259 0.000 0.953 328 L HN 0.129 nan 8.230 nan 0.000 0.452 329 D N 1.271 121.560 120.400 -0.185 0.000 2.325 329 D HA 0.088 4.642 4.640 -0.143 0.000 0.251 329 D C -1.490 174.786 176.300 -0.040 0.000 1.196 329 D CA -2.225 51.538 54.000 -0.395 0.000 0.866 329 D CB 1.457 41.756 40.800 -0.835 0.000 1.101 329 D HN -0.066 nan 8.370 nan 0.000 0.476 330 P HA -0.048 nan 4.420 nan 0.000 0.236 330 P C 0.885 178.215 177.300 0.050 0.000 1.177 330 P CA 0.625 63.793 63.100 0.113 0.000 0.773 330 P CB -0.028 31.816 31.700 0.240 0.000 0.878 331 T N -3.848 110.732 114.554 0.043 0.000 3.148 331 T HA 0.109 4.373 4.350 -0.143 0.000 0.253 331 T C 0.711 175.428 174.700 0.027 0.000 1.134 331 T CA 0.068 62.193 62.100 0.041 0.000 1.051 331 T CB -0.307 68.602 68.868 0.069 0.000 0.959 331 T HN -0.070 nan 8.240 nan 0.000 0.525 332 K N 1.599 121.940 120.400 -0.099 0.000 2.316 332 K HA 0.542 4.776 4.320 -0.143 0.000 0.251 332 K C -0.821 175.640 176.600 -0.230 0.000 0.934 332 K CA -0.879 55.209 56.287 -0.331 0.000 0.802 332 K CB 1.969 34.060 32.500 -0.681 0.000 1.171 332 K HN 0.372 nan 8.250 nan 0.000 0.426 333 F N -0.272 119.506 119.950 -0.286 0.000 2.523 333 F HA 0.614 5.055 4.527 -0.143 0.000 0.329 333 F C -0.491 175.255 175.800 -0.090 0.000 1.061 333 F CA -1.608 56.303 58.000 -0.149 0.000 0.967 333 F CB 0.679 39.604 39.000 -0.125 0.000 1.218 333 F HN 0.227 nan 8.300 nan 0.000 0.480 334 L N 4.425 125.882 121.223 0.389 0.000 2.255 334 L HA 0.575 4.829 4.340 -0.143 0.000 0.289 334 L C -2.528 174.618 176.870 0.460 0.000 1.046 334 L CA -2.492 52.632 54.840 0.473 0.000 0.816 334 L CB 0.254 42.570 42.059 0.429 0.000 1.197 334 L HN 0.418 nan 8.230 nan 0.000 0.427 335 P HA 0.032 nan 4.420 nan 0.000 0.265 335 P C 0.035 177.388 177.300 0.088 0.000 1.187 335 P CA 0.171 63.437 63.100 0.276 0.000 0.766 335 P CB 0.493 32.217 31.700 0.040 0.000 0.820 336 E N 1.240 121.476 120.200 0.059 0.000 2.409 336 E HA -0.190 4.075 4.350 -0.143 0.000 0.198 336 E C 1.044 177.582 176.600 -0.103 0.000 1.024 336 E CA 0.868 57.258 56.400 -0.016 0.000 0.861 336 E CB -0.050 29.645 29.700 -0.008 0.000 0.788 336 E HN 0.522 nan 8.360 nan 0.000 0.521 337 E N -0.188 119.869 120.200 -0.239 0.000 2.204 337 E HA -0.117 4.147 4.350 -0.143 0.000 0.194 337 E C 1.170 177.569 176.600 -0.336 0.000 0.989 337 E CA 0.914 57.111 56.400 -0.340 0.000 0.824 337 E CB -0.053 29.343 29.700 -0.506 0.000 0.756 337 E HN 0.355 nan 8.360 nan 0.000 0.477 338 F N -0.501 119.379 119.950 -0.117 0.000 2.530 338 F HA 0.326 4.768 4.527 -0.143 0.000 0.292 338 F C 0.691 176.345 175.800 -0.243 0.000 1.109 338 F CA 0.011 57.848 58.000 -0.272 0.000 1.450 338 F CB 0.565 39.170 39.000 -0.658 0.000 1.114 338 F HN -0.132 nan 8.300 nan 0.000 0.560 339 A N 1.161 123.973 122.820 -0.015 0.000 2.547 339 A HA 0.466 4.700 4.320 -0.143 0.000 0.279 339 A C -2.777 174.792 177.584 -0.026 0.000 1.088 339 A CA -1.332 50.696 52.037 -0.015 0.000 0.796 339 A CB 0.455 19.447 19.000 -0.013 0.000 1.308 339 A HN -0.193 nan 8.150 nan 0.000 0.415 340 P HA 0.394 nan 4.420 nan 0.000 0.276 340 P C -0.353 176.905 177.300 -0.069 0.000 1.244 340 P CA -0.293 62.781 63.100 -0.044 0.000 0.801 340 P CB 0.822 32.507 31.700 -0.025 0.000 1.006 341 L N 1.318 122.486 121.223 -0.092 0.000 2.416 341 L HA 0.199 4.454 4.340 -0.143 0.000 0.272 341 L C 1.103 177.926 176.870 -0.078 0.000 1.161 341 L CA 0.304 55.070 54.840 -0.124 0.000 0.845 341 L CB -0.086 41.887 42.059 -0.143 0.000 1.119 341 L HN 0.401 nan 8.230 nan 0.000 0.464 342 Q N 2.665 122.403 119.800 -0.104 0.000 2.381 342 Q HA 0.342 4.596 4.340 -0.143 0.000 0.263 342 Q C -1.229 174.687 176.000 -0.140 0.000 1.030 342 Q CA -0.618 55.123 55.803 -0.103 0.000 0.772 342 Q CB 1.750 30.403 28.738 -0.143 0.000 1.232 342 Q HN 0.441 nan 8.270 nan 0.000 0.476 343 V N 6.264 126.159 119.914 -0.032 0.000 2.479 343 V HA 0.003 4.038 4.120 -0.143 0.000 0.281 343 V C 1.042 177.127 176.094 -0.016 0.000 1.031 343 V CA 0.517 62.831 62.300 0.024 0.000 1.038 343 V CB 0.725 32.660 31.823 0.186 0.000 0.981 343 V HN 0.885 nan 8.190 nan 0.000 0.478 344 L N 3.901 125.030 121.223 -0.155 0.000 2.388 344 L HA 0.495 4.750 4.340 -0.143 0.000 0.209 344 L C 1.166 178.080 176.870 0.074 0.000 1.061 344 L CA 0.920 55.591 54.840 -0.282 0.000 0.834 344 L CB 0.048 41.780 42.059 -0.545 0.000 1.029 344 L HN 0.815 nan 8.230 nan 0.000 0.473 345 G N -0.727 107.985 108.800 -0.147 0.000 2.570 345 G HA2 0.372 4.246 3.960 -0.143 0.000 0.310 345 G HA3 0.372 4.246 3.960 -0.143 0.000 0.310 345 G C -1.923 172.635 174.900 -0.570 0.000 1.266 345 G CA -0.300 44.398 45.100 -0.670 0.000 0.825 345 G HN -0.103 nan 8.290 nan 0.000 0.483 346 E N -0.551 119.348 120.200 -0.502 0.000 2.308 346 E HA 0.539 4.803 4.350 -0.143 0.000 0.275 346 E C -1.241 175.500 176.600 0.235 0.000 0.890 346 E CA -0.664 55.751 56.400 0.025 0.000 0.754 346 E CB 2.172 31.895 29.700 0.039 0.000 1.207 346 E HN 0.563 nan 8.360 nan 0.000 0.426 347 M N 2.787 122.721 119.600 0.556 0.000 2.436 347 M HA 0.472 4.866 4.480 -0.143 0.000 0.331 347 M C -1.452 175.066 176.300 0.362 0.000 1.135 347 M CA -0.157 55.452 55.300 0.515 0.000 0.987 347 M CB 1.927 34.815 32.600 0.479 0.000 1.687 347 M HN 0.433 nan 8.290 nan 0.000 0.445 348 T N 5.560 120.269 114.554 0.258 0.000 2.937 348 T HA 0.462 4.726 4.350 -0.143 0.000 0.297 348 T C -0.761 174.034 174.700 0.158 0.000 0.991 348 T CA -0.592 61.625 62.100 0.195 0.000 0.990 348 T CB 1.087 70.027 68.868 0.120 0.000 0.991 348 T HN 0.604 nan 8.240 nan 0.000 0.440 349 L N 4.615 125.943 121.223 0.176 0.000 2.268 349 L HA 0.464 4.718 4.340 -0.143 0.000 0.289 349 L C 1.232 178.134 176.870 0.053 0.000 1.064 349 L CA -0.341 54.561 54.840 0.103 0.000 0.824 349 L CB 0.228 42.368 42.059 0.136 0.000 1.202 349 L HN 0.812 nan 8.230 nan 0.000 0.433 350 N N 1.666 120.385 118.700 0.032 0.000 2.143 350 N HA 0.133 4.787 4.740 -0.143 0.000 0.222 350 N C -0.144 175.348 175.510 -0.029 0.000 1.264 350 N CA -0.643 52.407 53.050 -0.000 0.000 0.897 350 N CB 0.929 39.423 38.487 0.012 0.000 1.092 350 N HN 0.379 nan 8.380 nan 0.000 0.516 351 R N 1.377 121.867 120.500 -0.015 0.000 2.502 351 R HA 0.333 4.587 4.340 -0.143 0.000 0.298 351 R C -0.982 175.298 176.300 -0.033 0.000 1.018 351 R CA -0.600 55.475 56.100 -0.041 0.000 0.899 351 R CB 1.180 31.467 30.300 -0.021 0.000 1.181 351 R HN 0.124 nan 8.270 nan 0.000 0.444 352 N N 3.426 122.014 118.700 -0.186 0.000 2.467 352 N HA 0.281 4.936 4.740 -0.143 0.000 0.262 352 N C -2.114 173.402 175.510 0.011 0.000 1.234 352 N CA -1.212 51.687 53.050 -0.252 0.000 0.952 352 N CB 0.483 38.371 38.487 -0.998 0.000 1.158 352 N HN 0.262 nan 8.380 nan 0.000 0.463 353 P HA 0.173 nan 4.420 nan 0.000 0.274 353 P C 0.250 177.747 177.300 0.328 0.000 1.237 353 P CA -0.108 63.200 63.100 0.347 0.000 0.793 353 P CB 1.073 33.045 31.700 0.452 0.000 0.977 354 M N -0.074 119.667 119.600 0.236 0.000 2.466 354 M HA 0.065 4.460 4.480 -0.143 0.000 0.265 354 M C 0.979 177.428 176.300 0.248 0.000 1.122 354 M CA 0.858 56.294 55.300 0.226 0.000 1.157 354 M CB 0.083 32.757 32.600 0.124 0.000 1.352 354 M HN 0.409 nan 8.290 nan 0.000 0.464 355 N N -0.490 118.353 118.700 0.237 0.000 2.448 355 N HA 0.071 4.725 4.740 -0.143 0.000 0.279 355 N C -0.229 175.462 175.510 0.303 0.000 1.025 355 N CA -0.141 53.062 53.050 0.255 0.000 0.898 355 N CB 1.634 40.246 38.487 0.209 0.000 1.303 355 N HN 0.064 nan 8.380 nan 0.000 0.495 356 Y N 4.695 125.131 120.300 0.227 0.000 2.114 356 Y HA -0.224 4.239 4.550 -0.145 0.000 0.284 356 Y C 1.750 177.777 175.900 0.212 0.000 1.143 356 Y CA 1.739 59.976 58.100 0.228 0.000 1.135 356 Y CB -0.156 38.414 38.460 0.184 0.000 0.980 356 Y HN 0.687 nan 8.280 nan 0.000 0.499 357 F N 0.511 120.634 119.950 0.288 0.000 2.075 357 F HA -0.183 4.260 4.527 -0.139 0.000 0.297 357 F C 2.374 178.208 175.800 0.057 0.000 1.113 357 F CA 1.882 59.985 58.000 0.172 0.000 1.218 357 F CB -0.913 38.188 39.000 0.168 0.000 0.984 357 F HN 0.084 nan 8.300 nan 0.000 0.472 358 A N -0.360 122.595 122.820 0.224 0.000 1.940 358 A HA -0.182 4.052 4.320 -0.143 0.000 0.219 358 A C 2.043 179.578 177.584 -0.082 0.000 1.176 358 A CA 2.113 54.204 52.037 0.090 0.000 0.631 358 A CB -0.680 18.421 19.000 0.168 0.000 0.814 358 A HN 0.612 nan 8.150 nan 0.000 0.446 359 E N -1.730 118.423 120.200 -0.080 0.000 2.075 359 E HA -0.011 4.254 4.350 -0.143 0.000 0.193 359 E C 2.150 178.545 176.600 -0.342 0.000 0.950 359 E CA 1.009 57.296 56.400 -0.189 0.000 0.859 359 E CB -0.196 29.498 29.700 -0.010 0.000 0.846 359 E HN 0.466 nan 8.360 nan 0.000 0.467 360 T N 1.190 115.581 114.554 -0.272 0.000 2.701 360 T HA -0.150 4.114 4.350 -0.143 0.000 0.263 360 T C 1.870 176.364 174.700 -0.342 0.000 1.040 360 T CA 1.576 63.504 62.100 -0.286 0.000 1.147 360 T CB -0.186 68.315 68.868 -0.611 0.000 0.865 360 T HN 0.038 nan 8.240 nan 0.000 0.426 361 E N 1.346 121.282 120.200 -0.440 0.000 2.072 361 E HA -0.086 4.179 4.350 -0.143 0.000 0.191 361 E C 2.232 178.623 176.600 -0.348 0.000 0.985 361 E CA 1.271 57.485 56.400 -0.310 0.000 0.801 361 E CB -0.167 29.381 29.700 -0.253 0.000 0.750 361 E HN 0.481 nan 8.360 nan 0.000 0.452 362 Q N -0.270 119.275 119.800 -0.425 0.000 2.378 362 Q HA 0.086 4.341 4.340 -0.143 0.000 0.205 362 Q C 0.552 176.488 176.000 -0.108 0.000 0.954 362 Q CA -0.061 55.587 55.803 -0.257 0.000 0.901 362 Q CB 0.099 28.685 28.738 -0.253 0.000 0.981 362 Q HN 0.373 nan 8.270 nan 0.000 0.483 363 I N 1.022 121.451 120.570 -0.235 0.000 2.752 363 I HA -0.088 3.997 4.170 -0.143 0.000 0.287 363 I C -0.565 175.429 176.117 -0.205 0.000 1.188 363 I CA 0.634 61.745 61.300 -0.315 0.000 1.427 363 I CB 0.693 38.371 38.000 -0.536 0.000 1.365 363 I HN -0.117 nan 8.210 nan 0.000 0.585 364 S N 7.490 123.048 115.700 -0.236 0.000 2.399 364 S HA 0.398 4.782 4.470 -0.143 0.000 0.215 364 S C -0.527 174.002 174.600 -0.118 0.000 1.456 364 S CA -0.476 57.671 58.200 -0.088 0.000 1.199 364 S CB 0.095 63.302 63.200 0.012 0.000 1.063 364 S HN 0.385 nan 8.310 nan 0.000 0.476 365 F N 2.360 122.297 119.950 -0.022 0.000 2.506 365 F HA 0.312 4.754 4.527 -0.142 0.000 0.351 365 F C 1.174 176.929 175.800 -0.075 0.000 1.136 365 F CA 0.291 58.262 58.000 -0.047 0.000 1.298 365 F CB 0.574 39.521 39.000 -0.088 0.000 1.145 365 F HN 0.307 nan 8.300 nan 0.000 0.593 366 Q N 3.749 123.498 119.800 -0.085 0.000 2.284 366 Q HA 0.202 4.456 4.340 -0.143 0.000 0.269 366 Q C -2.041 173.730 176.000 -0.381 0.000 1.026 366 Q CA -1.744 53.843 55.803 -0.361 0.000 0.831 366 Q CB 2.828 31.113 28.738 -0.755 0.000 1.322 366 Q HN 0.247 nan 8.270 nan 0.000 0.419 367 P HA -0.084 nan 4.420 nan 0.000 0.229 367 P C 0.897 178.181 177.300 -0.026 0.000 1.160 367 P CA 0.848 63.782 63.100 -0.277 0.000 0.777 367 P CB 0.274 31.747 31.700 -0.378 0.000 0.814 368 G N -1.034 107.696 108.800 -0.118 0.000 2.534 368 G HA2 -0.151 3.724 3.960 -0.143 0.000 0.217 368 G HA3 -0.151 3.724 3.960 -0.143 0.000 0.217 368 G C 0.487 175.487 174.900 0.167 0.000 1.128 368 G CA -0.020 45.112 45.100 0.053 0.000 0.784 368 G HN 0.411 nan 8.290 nan 0.000 0.542 369 H N 0.141 119.235 119.070 0.040 0.000 3.356 369 H HA 0.328 4.798 4.556 -0.143 0.000 0.260 369 H C -0.421 174.962 175.328 0.092 0.000 1.570 369 H CA -0.503 55.555 56.048 0.017 0.000 1.547 369 H CB 0.201 29.928 29.762 -0.059 0.000 1.774 369 H HN 0.178 nan 8.280 nan 0.000 0.542 370 I N 3.228 123.929 120.570 0.219 0.000 2.646 370 I HA 0.369 4.454 4.170 -0.143 0.000 0.299 370 I C -0.408 175.767 176.117 0.096 0.000 1.036 370 I CA -1.052 60.367 61.300 0.197 0.000 1.074 370 I CB 1.310 39.291 38.000 -0.032 0.000 1.258 370 I HN 0.233 nan 8.210 nan 0.000 0.430 371 V N 3.770 123.731 119.914 0.079 0.000 3.103 371 V HA 0.593 4.628 4.120 -0.143 0.000 0.318 371 V C 0.042 176.206 176.094 0.117 0.000 1.114 371 V CA -1.060 61.281 62.300 0.070 0.000 1.020 371 V CB 1.492 33.301 31.823 -0.023 0.000 1.085 371 V HN 0.899 nan 8.190 nan 0.000 0.446 372 R N 0.416 120.989 120.500 0.121 0.000 2.538 372 R HA 0.388 4.643 4.340 -0.143 0.000 0.282 372 R C 1.148 177.381 176.300 -0.112 0.000 1.009 372 R CA 1.434 57.531 56.100 -0.005 0.000 1.063 372 R CB 0.024 30.368 30.300 0.072 0.000 0.945 372 R HN 1.905 nan 8.270 nan 0.000 0.414 373 G N 2.077 110.722 108.800 -0.259 0.000 2.195 373 G HA2 -0.228 3.646 3.960 -0.143 0.000 0.224 373 G HA3 -0.228 3.646 3.960 -0.143 0.000 0.224 373 G C -0.457 174.312 174.900 -0.218 0.000 0.990 373 G CA -0.007 44.967 45.100 -0.209 0.000 0.639 373 G HN 0.563 nan 8.290 nan 0.000 0.514 374 V N 0.090 119.867 119.914 -0.228 0.000 3.001 374 V HA 0.893 4.927 4.120 -0.143 0.000 0.314 374 V C -0.556 175.453 176.094 -0.142 0.000 1.099 374 V CA -0.476 61.740 62.300 -0.139 0.000 0.989 374 V CB 2.115 33.850 31.823 -0.146 0.000 1.040 374 V HN 0.300 nan 8.190 nan 0.000 0.434 375 D N -0.286 120.065 120.400 -0.081 0.000 2.623 375 D HA 0.494 5.049 4.640 -0.143 0.000 0.241 375 D C -1.047 175.247 176.300 -0.009 0.000 1.241 375 D CA -0.438 53.479 54.000 -0.138 0.000 0.788 375 D CB 1.762 42.483 40.800 -0.132 0.000 1.413 375 D HN 0.216 nan 8.370 nan 0.000 0.429 376 F N 0.046 120.157 119.950 0.268 0.000 2.390 376 F HA 0.473 4.914 4.527 -0.143 0.000 0.307 376 F C 1.635 177.469 175.800 0.057 0.000 1.227 376 F CA -0.167 57.940 58.000 0.178 0.000 1.179 376 F CB 0.838 39.901 39.000 0.106 0.000 1.280 376 F HN 0.218 nan 8.300 nan 0.000 0.548 377 T N -3.102 111.548 114.554 0.160 0.000 2.858 377 T HA 0.382 4.647 4.350 -0.143 0.000 0.285 377 T C -0.195 174.517 174.700 0.021 0.000 1.052 377 T CA -0.871 61.263 62.100 0.057 0.000 1.009 377 T CB 1.504 70.366 68.868 -0.010 0.000 1.241 377 T HN 0.411 nan 8.240 nan 0.000 0.542 378 E N 0.845 121.058 120.200 0.021 0.000 2.320 378 E HA 0.148 4.412 4.350 -0.143 0.000 0.189 378 E C -0.153 176.454 176.600 0.012 0.000 1.100 378 E CA -0.146 56.260 56.400 0.010 0.000 1.009 378 E CB -0.250 29.465 29.700 0.024 0.000 1.145 378 E HN 0.523 nan 8.360 nan 0.000 0.454 379 D N 0.986 121.376 120.400 -0.017 0.000 2.389 379 D HA -0.030 4.524 4.640 -0.143 0.000 0.263 379 D C -1.631 174.644 176.300 -0.042 0.000 1.255 379 D CA -1.752 52.253 54.000 0.008 0.000 0.914 379 D CB 1.189 41.935 40.800 -0.090 0.000 1.116 379 D HN -0.026 nan 8.370 nan 0.000 0.502 380 P HA -0.134 nan 4.420 nan 0.000 0.219 380 P C 1.498 178.789 177.300 -0.016 0.000 1.146 380 P CA 0.335 63.428 63.100 -0.011 0.000 0.808 380 P CB 0.272 31.968 31.700 -0.008 0.000 0.779 381 L N -0.971 120.267 121.223 0.025 0.000 2.072 381 L HA -0.067 4.187 4.340 -0.143 0.000 0.205 381 L C 2.143 178.906 176.870 -0.177 0.000 1.079 381 L CA 1.537 56.395 54.840 0.028 0.000 0.752 381 L CB -1.446 40.745 42.059 0.221 0.000 0.906 381 L HN -0.134 nan 8.230 nan 0.000 0.436 382 L N -0.715 120.215 121.223 -0.489 0.000 2.046 382 L HA -0.199 4.055 4.340 -0.143 0.000 0.208 382 L C 2.471 179.114 176.870 -0.379 0.000 1.077 382 L CA 1.700 56.130 54.840 -0.684 0.000 0.747 382 L CB -0.894 40.586 42.059 -0.965 0.000 0.896 382 L HN 0.354 nan 8.230 nan 0.000 0.432 383 Q N -0.163 119.469 119.800 -0.280 0.000 2.112 383 Q HA -0.178 4.076 4.340 -0.143 0.000 0.206 383 Q C 2.083 177.983 176.000 -0.167 0.000 0.987 383 Q CA 1.840 57.512 55.803 -0.219 0.000 0.858 383 Q CB -0.853 27.802 28.738 -0.139 0.000 0.905 383 Q HN 0.692 nan 8.270 nan 0.000 0.420 384 G N 0.288 109.019 108.800 -0.115 0.000 2.464 384 G HA2 -0.192 3.682 3.960 -0.143 0.000 0.217 384 G HA3 -0.192 3.682 3.960 -0.143 0.000 0.217 384 G C 1.523 176.418 174.900 -0.008 0.000 1.138 384 G CA 0.113 45.188 45.100 -0.041 0.000 0.793 384 G HN 0.249 nan 8.290 nan 0.000 0.539 385 R N -0.145 120.302 120.500 -0.087 0.000 2.120 385 R HA 0.074 4.329 4.340 -0.143 0.000 0.234 385 R C 2.472 178.738 176.300 -0.056 0.000 1.123 385 R CA 0.692 56.762 56.100 -0.049 0.000 0.975 385 R CB -0.411 29.774 30.300 -0.191 0.000 0.866 385 R HN 0.329 nan 8.270 nan 0.000 0.446 386 L N -0.536 120.587 121.223 -0.168 0.000 2.079 386 L HA -0.237 4.017 4.340 -0.143 0.000 0.210 386 L C 2.397 179.238 176.870 -0.048 0.000 1.081 386 L CA 1.377 56.100 54.840 -0.195 0.000 0.752 386 L CB -0.534 41.310 42.059 -0.359 0.000 0.896 386 L HN 0.236 nan 8.230 nan 0.000 0.433 387 Y N -0.173 120.070 120.300 -0.095 0.000 2.206 387 Y HA -0.211 4.253 4.550 -0.142 0.000 0.292 387 Y C 2.932 178.823 175.900 -0.016 0.000 1.123 387 Y CA 1.637 59.707 58.100 -0.050 0.000 1.142 387 Y CB -0.274 38.156 38.460 -0.050 0.000 1.006 387 Y HN 0.036 nan 8.280 nan 0.000 0.518 388 S N -0.670 114.992 115.700 -0.062 0.000 2.368 388 S HA -0.216 4.168 4.470 -0.143 0.000 0.225 388 S C 1.858 176.326 174.600 -0.220 0.000 1.030 388 S CA 1.630 59.724 58.200 -0.177 0.000 0.999 388 S CB -0.714 62.473 63.200 -0.022 0.000 0.844 388 S HN 0.604 nan 8.310 nan 0.000 0.459 389 Y N 0.790 120.935 120.300 -0.258 0.000 2.263 389 Y HA 0.093 4.557 4.550 -0.143 0.000 0.292 389 Y C 2.114 177.856 175.900 -0.262 0.000 1.130 389 Y CA 0.767 58.723 58.100 -0.240 0.000 1.179 389 Y CB -0.551 37.776 38.460 -0.221 0.000 0.998 389 Y HN 0.277 nan 8.280 nan 0.000 0.532 390 L N 0.190 121.353 121.223 -0.099 0.000 2.093 390 L HA -0.158 4.096 4.340 -0.143 0.000 0.208 390 L C 1.874 178.626 176.870 -0.196 0.000 1.085 390 L CA 1.985 56.761 54.840 -0.105 0.000 0.755 390 L CB -0.653 41.377 42.059 -0.048 0.000 0.904 390 L HN 0.160 nan 8.230 nan 0.000 0.435 391 D N -1.966 118.231 120.400 -0.339 0.000 2.123 391 D HA -0.207 4.347 4.640 -0.143 0.000 0.200 391 D C 2.080 178.215 176.300 -0.275 0.000 0.976 391 D CA 1.461 55.245 54.000 -0.360 0.000 0.831 391 D CB -0.005 40.407 40.800 -0.646 0.000 0.974 391 D HN 0.267 nan 8.370 nan 0.000 0.469 392 T N -1.001 113.378 114.554 -0.292 0.000 2.962 392 T HA -0.095 4.169 4.350 -0.143 0.000 0.270 392 T C 1.560 176.094 174.700 -0.278 0.000 1.088 392 T CA 0.863 62.809 62.100 -0.257 0.000 1.127 392 T CB -0.177 68.521 68.868 -0.282 0.000 0.883 392 T HN 0.088 nan 8.240 nan 0.000 0.493 393 Q N 0.675 120.249 119.800 -0.376 0.000 2.230 393 Q HA 0.122 4.376 4.340 -0.143 0.000 0.202 393 Q C 2.325 178.089 176.000 -0.394 0.000 0.963 393 Q CA 0.698 56.181 55.803 -0.532 0.000 0.866 393 Q CB -0.447 27.539 28.738 -1.253 0.000 0.931 393 Q HN 0.527 nan 8.270 nan 0.000 0.452 394 L N 0.560 121.629 121.223 -0.257 0.000 2.131 394 L HA -0.179 4.075 4.340 -0.143 0.000 0.210 394 L C 2.139 178.964 176.870 -0.075 0.000 1.092 394 L CA 1.109 55.894 54.840 -0.091 0.000 0.759 394 L CB -0.415 41.615 42.059 -0.048 0.000 0.903 394 L HN 0.219 nan 8.230 nan 0.000 0.435 395 N N 0.292 118.923 118.700 -0.115 0.000 2.173 395 N HA -0.114 4.540 4.740 -0.143 0.000 0.184 395 N C 1.982 177.420 175.510 -0.120 0.000 1.025 395 N CA 1.201 54.193 53.050 -0.096 0.000 0.852 395 N CB 0.100 38.528 38.487 -0.099 0.000 0.998 395 N HN 0.087 nan 8.380 nan 0.000 0.427 396 R N -1.052 119.332 120.500 -0.193 0.000 2.066 396 R HA 0.006 4.260 4.340 -0.143 0.000 0.232 396 R C 1.345 177.438 176.300 -0.345 0.000 1.131 396 R CA 1.185 57.107 56.100 -0.296 0.000 0.955 396 R CB -0.252 29.791 30.300 -0.428 0.000 0.851 396 R HN 0.463 nan 8.270 nan 0.000 0.432 397 H N -0.543 118.461 119.070 -0.110 0.000 2.575 397 H HA 0.178 4.648 4.556 -0.144 0.000 0.267 397 H C 0.287 175.617 175.328 0.003 0.000 0.966 397 H CA 0.022 56.045 56.048 -0.041 0.000 1.165 397 H CB 0.395 30.146 29.762 -0.018 0.000 1.433 397 H HN 0.102 nan 8.280 nan 0.000 0.544 398 R N 0.477 121.016 120.500 0.064 0.000 3.516 398 R HA -0.162 4.092 4.340 -0.143 0.000 0.271 398 R C -0.375 175.972 176.300 0.078 0.000 1.098 398 R CA 0.603 56.734 56.100 0.051 0.000 0.732 398 R CB -1.322 29.001 30.300 0.038 0.000 1.152 398 R HN 0.643 nan 8.270 nan 0.000 0.455 399 G N -1.748 107.123 108.800 0.118 0.000 2.328 399 G HA2 0.280 4.154 3.960 -0.143 0.000 0.295 399 G HA3 0.280 4.154 3.960 -0.143 0.000 0.295 399 G C -2.832 172.197 174.900 0.214 0.000 1.413 399 G CA -0.447 44.725 45.100 0.120 0.000 0.817 399 G HN -0.074 nan 8.290 nan 0.000 0.546 400 P HA 0.073 nan 4.420 nan 0.000 0.235 400 P C 0.387 177.603 177.300 -0.139 0.000 1.177 400 P CA 0.436 63.598 63.100 0.103 0.000 0.785 400 P CB 0.382 32.084 31.700 0.003 0.000 0.885 401 N N 0.425 119.051 118.700 -0.124 0.000 2.575 401 N HA 0.096 4.750 4.740 -0.143 0.000 0.275 401 N C 0.731 176.050 175.510 -0.318 0.000 1.202 401 N CA -0.188 52.682 53.050 -0.300 0.000 0.945 401 N CB -0.507 37.834 38.487 -0.243 0.000 1.247 401 N HN 0.260 nan 8.380 nan 0.000 0.510 402 F N -0.248 119.569 119.950 -0.221 0.000 2.615 402 F HA 0.272 4.713 4.527 -0.144 0.000 0.297 402 F C 1.632 177.236 175.800 -0.327 0.000 1.124 402 F CA 0.209 57.976 58.000 -0.388 0.000 1.451 402 F CB 0.032 38.705 39.000 -0.545 0.000 1.103 402 F HN -0.107 nan 8.300 nan 0.000 0.569 403 E N 1.095 120.959 120.200 -0.560 0.000 2.358 403 E HA -0.119 4.146 4.350 -0.143 0.000 0.195 403 E C 1.787 178.260 176.600 -0.213 0.000 1.010 403 E CA 0.614 56.825 56.400 -0.314 0.000 0.856 403 E CB -0.369 29.120 29.700 -0.351 0.000 0.795 403 E HN 0.680 nan 8.360 nan 0.000 0.504 404 Q N 0.219 119.843 119.800 -0.293 0.000 2.378 404 Q HA 0.059 4.314 4.340 -0.143 0.000 0.205 404 Q C 0.612 176.550 176.000 -0.103 0.000 0.954 404 Q CA 0.113 55.773 55.803 -0.239 0.000 0.901 404 Q CB 0.095 28.509 28.738 -0.539 0.000 0.981 404 Q HN 0.228 nan 8.270 nan 0.000 0.483 405 L N 2.057 123.206 121.223 -0.124 0.000 2.490 405 L HA -0.019 4.235 4.340 -0.143 0.000 0.274 405 L C -1.465 175.374 176.870 -0.052 0.000 1.201 405 L CA -1.247 53.544 54.840 -0.082 0.000 0.869 405 L CB 0.077 42.066 42.059 -0.117 0.000 1.123 405 L HN -0.088 nan 8.230 nan 0.000 0.484 406 P HA -0.247 nan 4.420 nan 0.000 0.216 406 P C 1.521 178.783 177.300 -0.063 0.000 1.154 406 P CA 1.275 64.358 63.100 -0.029 0.000 0.865 406 P CB 0.205 31.892 31.700 -0.022 0.000 0.789 407 I N -1.043 119.467 120.570 -0.101 0.000 2.546 407 I HA -0.110 3.974 4.170 -0.143 0.000 0.255 407 I C 1.399 177.458 176.117 -0.098 0.000 1.163 407 I CA 1.519 62.722 61.300 -0.162 0.000 1.457 407 I CB -0.563 37.260 38.000 -0.295 0.000 1.092 407 I HN -0.142 nan 8.210 nan 0.000 0.434 408 N N 0.511 119.156 118.700 -0.093 0.000 2.422 408 N HA 0.056 4.710 4.740 -0.143 0.000 0.181 408 N C 0.385 175.885 175.510 -0.016 0.000 1.080 408 N CA 0.200 53.202 53.050 -0.080 0.000 0.893 408 N CB -0.023 38.405 38.487 -0.098 0.000 0.973 408 N HN 0.323 nan 8.380 nan 0.000 0.456 409 R N 1.740 122.256 120.500 0.026 0.000 2.537 409 R HA 0.151 4.405 4.340 -0.143 0.000 0.280 409 R C -2.030 174.335 176.300 0.109 0.000 1.058 409 R CA -0.949 55.183 56.100 0.054 0.000 1.057 409 R CB 0.261 30.598 30.300 0.061 0.000 0.973 409 R HN 0.120 nan 8.270 nan 0.000 0.438 410 P HA 0.035 nan 4.420 nan 0.000 0.279 410 P C 0.321 177.666 177.300 0.075 0.000 1.276 410 P CA -0.269 62.889 63.100 0.096 0.000 0.801 410 P CB 0.842 32.550 31.700 0.013 0.000 1.127 411 V N -2.649 117.320 119.914 0.092 0.000 3.578 411 V HA 0.090 4.125 4.120 -0.143 0.000 0.290 411 V C 1.392 177.508 176.094 0.038 0.000 1.376 411 V CA 1.169 63.499 62.300 0.050 0.000 1.083 411 V CB -0.971 30.892 31.823 0.066 0.000 0.911 411 V HN 0.589 nan 8.190 nan 0.000 0.433 412 S N -0.297 115.426 115.700 0.039 0.000 2.517 412 S HA 0.577 4.962 4.470 -0.143 0.000 0.214 412 S C 1.148 175.767 174.600 0.031 0.000 0.991 412 S CA 0.460 58.685 58.200 0.043 0.000 0.906 412 S CB 0.095 63.328 63.200 0.055 0.000 0.789 412 S HN 2.006 nan 8.310 nan 0.000 0.513 413 G N 0.148 108.932 108.800 -0.027 0.000 2.712 413 G HA2 0.057 3.931 3.960 -0.143 0.000 0.686 413 G HA3 0.057 3.931 3.960 -0.143 0.000 0.686 413 G C -1.094 173.679 174.900 -0.213 0.000 1.181 413 G CA -0.593 44.428 45.100 -0.131 0.000 0.762 413 G HN 0.828 nan 8.290 nan 0.000 0.641 414 V N 2.835 122.469 119.914 -0.467 0.000 2.407 414 V HA 0.656 4.690 4.120 -0.143 0.000 0.291 414 V C -0.346 175.410 176.094 -0.563 0.000 1.018 414 V CA -0.722 61.385 62.300 -0.323 0.000 0.842 414 V CB 1.680 33.479 31.823 -0.039 0.000 0.996 414 V HN 0.873 nan 8.190 nan 0.000 0.426 415 H N 4.072 123.142 119.070 -0.000 0.000 2.970 415 H HA 0.678 5.148 4.556 -0.142 0.000 0.315 415 H C -0.291 175.040 175.328 0.006 0.000 0.992 415 H CA -0.593 55.464 56.048 0.015 0.000 1.363 415 H CB 1.145 30.909 29.762 0.004 0.000 1.532 415 H HN 0.849 nan 8.280 nan 0.000 0.514 416 N N 0.399 119.151 118.700 0.087 0.000 3.179 416 N HA 0.111 4.765 4.740 -0.143 0.000 0.250 416 N C -0.899 174.638 175.510 0.045 0.000 1.507 416 N CA -1.141 51.919 53.050 0.017 0.000 0.883 416 N CB 0.611 38.981 38.487 -0.194 0.000 1.435 416 N HN 0.333 nan 8.380 nan 0.000 0.532 417 N N -1.907 116.859 118.700 0.111 0.000 2.362 417 N HA 0.053 4.707 4.740 -0.143 0.000 0.211 417 N C -0.710 174.915 175.510 0.192 0.000 1.170 417 N CA -0.194 52.939 53.050 0.138 0.000 0.828 417 N CB -0.247 38.330 38.487 0.150 0.000 1.034 417 N HN 0.376 nan 8.380 nan 0.000 0.475 418 H N 1.225 120.275 119.070 -0.033 0.000 2.899 418 H HA 0.224 4.694 4.556 -0.143 0.000 0.303 418 H C 0.166 175.424 175.328 -0.116 0.000 1.042 418 H CA -0.294 55.730 56.048 -0.040 0.000 1.479 418 H CB 0.650 30.401 29.762 -0.019 0.000 1.493 418 H HN -0.010 nan 8.280 nan 0.000 0.534 419 R N 2.721 123.251 120.500 0.050 0.000 2.854 419 R HA 0.198 4.452 4.340 -0.143 0.000 0.271 419 R C -0.002 176.330 176.300 0.053 0.000 0.996 419 R CA -0.749 55.369 56.100 0.029 0.000 0.961 419 R CB 1.492 31.839 30.300 0.079 0.000 1.182 419 R HN 0.839 nan 8.270 nan 0.000 0.479 420 D N -0.280 120.163 120.400 0.072 0.000 3.455 420 D HA -0.163 4.391 4.640 -0.143 0.000 0.216 420 D C 0.389 176.692 176.300 0.006 0.000 1.510 420 D CA 1.893 55.917 54.000 0.041 0.000 1.128 420 D CB -1.045 39.778 40.800 0.038 0.000 0.680 420 D HN 0.869 nan 8.370 nan 0.000 0.828 421 G N -0.890 107.909 108.800 -0.001 0.000 2.746 421 G HA2 0.138 4.012 3.960 -0.143 0.000 0.685 421 G HA3 0.138 4.012 3.960 -0.143 0.000 0.685 421 G C -0.699 174.191 174.900 -0.017 0.000 1.350 421 G CA 0.371 45.462 45.100 -0.014 0.000 0.837 421 G HN 0.624 nan 8.290 nan 0.000 0.564 422 Q N 0.303 120.098 119.800 -0.009 0.000 2.313 422 Q HA 0.507 4.762 4.340 -0.143 0.000 0.266 422 Q C 1.332 177.318 176.000 -0.023 0.000 0.989 422 Q CA 1.947 57.748 55.803 -0.004 0.000 0.890 422 Q CB 0.558 29.306 28.738 0.015 0.000 1.200 422 Q HN 2.498 nan 8.270 nan 0.000 0.396 423 G N 3.194 111.979 108.800 -0.024 0.000 2.221 423 G HA2 -0.319 3.555 3.960 -0.143 0.000 0.265 423 G HA3 -0.319 3.555 3.960 -0.143 0.000 0.265 423 G C -0.260 174.583 174.900 -0.095 0.000 1.041 423 G CA 0.346 45.422 45.100 -0.041 0.000 0.807 423 G HN 0.641 nan 8.290 nan 0.000 0.502 424 Q N 0.067 119.813 119.800 -0.090 0.000 2.244 424 Q HA 0.592 4.846 4.340 -0.143 0.000 0.276 424 Q C 1.367 177.280 176.000 -0.145 0.000 1.122 424 Q CA 1.168 56.889 55.803 -0.137 0.000 0.920 424 Q CB 0.616 29.322 28.738 -0.054 0.000 1.186 424 Q HN 0.879 nan 8.270 nan 0.000 0.393 425 A N 5.175 127.823 122.820 -0.288 0.000 2.081 425 A HA 0.118 4.352 4.320 -0.143 0.000 0.214 425 A C -0.194 177.400 177.584 0.016 0.000 1.158 425 A CA 0.190 52.119 52.037 -0.180 0.000 0.724 425 A CB 0.018 18.871 19.000 -0.246 0.000 0.826 425 A HN 0.725 nan 8.150 nan 0.000 0.463 426 W N -1.066 120.165 121.300 -0.115 0.000 2.578 426 W HA 0.676 5.249 4.660 -0.144 0.000 0.364 426 W C -0.468 175.914 176.519 -0.228 0.000 1.144 426 W CA -1.570 55.651 57.345 -0.208 0.000 1.242 426 W CB 0.237 29.488 29.460 -0.348 0.000 1.382 426 W HN -0.153 nan 8.180 nan 0.000 0.625 427 I N 2.538 123.110 120.570 0.004 0.000 2.420 427 I HA 0.109 4.193 4.170 -0.143 0.000 0.282 427 I C -0.051 176.014 176.117 -0.086 0.000 1.019 427 I CA -0.794 60.488 61.300 -0.031 0.000 1.130 427 I CB 0.795 38.796 38.000 0.002 0.000 1.262 427 I HN 0.159 nan 8.210 nan 0.000 0.454 428 H N 5.984 125.107 119.070 0.088 0.000 2.683 428 H HA 0.211 4.682 4.556 -0.142 0.000 0.339 428 H C 0.352 175.691 175.328 0.018 0.000 1.081 428 H CA 0.149 56.236 56.048 0.065 0.000 1.432 428 H CB 1.778 31.589 29.762 0.080 0.000 1.462 428 H HN 0.534 nan 8.280 nan 0.000 0.557 429 K N 1.449 121.920 120.400 0.118 0.000 2.211 429 K HA -0.055 4.179 4.320 -0.143 0.000 0.201 429 K C 0.676 177.299 176.600 0.038 0.000 1.052 429 K CA 0.053 56.371 56.287 0.051 0.000 0.973 429 K CB 0.229 32.744 32.500 0.025 0.000 0.766 429 K HN 0.316 nan 8.250 nan 0.000 0.466 430 N N 2.329 121.070 118.700 0.067 0.000 2.416 430 N HA -0.038 4.616 4.740 -0.143 0.000 0.271 430 N C 0.669 176.171 175.510 -0.014 0.000 1.245 430 N CA -0.035 53.042 53.050 0.044 0.000 0.940 430 N CB 0.319 38.856 38.487 0.083 0.000 1.175 430 N HN 0.177 nan 8.380 nan 0.000 0.483 431 I N 0.141 120.640 120.570 -0.118 0.000 3.291 431 I HA 0.108 4.192 4.170 -0.143 0.000 0.279 431 I C -0.280 175.719 176.117 -0.197 0.000 1.294 431 I CA 0.487 61.651 61.300 -0.227 0.000 1.428 431 I CB -0.316 37.509 38.000 -0.292 0.000 1.070 431 I HN 0.384 nan 8.210 nan 0.000 0.478 432 H N 2.918 122.061 119.070 0.122 0.000 2.556 432 H HA 0.250 4.720 4.556 -0.142 0.000 0.240 432 H C -0.219 175.158 175.328 0.082 0.000 1.543 432 H CA -0.600 55.534 56.048 0.144 0.000 1.287 432 H CB -0.093 29.602 29.762 -0.111 0.000 1.529 432 H HN 0.343 nan 8.280 nan 0.000 0.553 433 H N 1.791 120.981 119.070 0.200 0.000 2.768 433 H HA 0.133 4.604 4.556 -0.143 0.000 0.228 433 H C -0.698 174.789 175.328 0.264 0.000 1.812 433 H CA -0.745 55.391 56.048 0.146 0.000 1.273 433 H CB -1.503 28.320 29.762 0.102 0.000 1.631 433 H HN 0.607 nan 8.280 nan 0.000 0.526 434 Y N -1.988 118.355 120.300 0.071 0.000 2.713 434 Y HA 0.618 5.082 4.550 -0.143 0.000 0.335 434 Y C -1.288 174.634 175.900 0.037 0.000 1.222 434 Y CA -1.362 56.739 58.100 -0.000 0.000 1.061 434 Y CB 0.844 39.269 38.460 -0.058 0.000 1.314 434 Y HN 0.200 nan 8.280 nan 0.000 0.453 435 S N 2.007 117.804 115.700 0.161 0.000 2.546 435 S HA 0.726 5.110 4.470 -0.143 0.000 0.272 435 S C -2.907 171.766 174.600 0.123 0.000 1.140 435 S CA -0.957 57.289 58.200 0.076 0.000 0.920 435 S CB 1.019 64.241 63.200 0.036 0.000 1.083 435 S HN 0.809 nan 8.310 nan 0.000 0.476 436 P HA 0.646 nan 4.420 nan 0.000 0.276 436 P C -1.138 176.217 177.300 0.092 0.000 1.252 436 P CA -0.488 62.646 63.100 0.057 0.000 0.802 436 P CB 1.263 32.990 31.700 0.045 0.000 1.035 437 S N -0.622 115.081 115.700 0.005 0.000 2.548 437 S HA 0.199 4.584 4.470 -0.143 0.000 0.278 437 S C -0.253 174.335 174.600 -0.021 0.000 1.150 437 S CA -0.665 57.530 58.200 -0.009 0.000 0.907 437 S CB 0.635 63.627 63.200 -0.348 0.000 1.108 437 S HN 0.533 nan 8.310 nan 0.000 0.459 438 Y N 4.837 125.092 120.300 -0.076 0.000 2.314 438 Y HA 0.293 4.757 4.550 -0.143 0.000 0.294 438 Y C 1.457 177.277 175.900 -0.134 0.000 1.119 438 Y CA 1.386 59.435 58.100 -0.084 0.000 1.179 438 Y CB -0.124 38.308 38.460 -0.047 0.000 1.025 438 Y HN 0.691 nan 8.280 nan 0.000 0.541 439 L N 0.983 122.044 121.223 -0.271 0.000 2.083 439 L HA -0.227 4.027 4.340 -0.143 0.000 0.209 439 L C 1.610 178.194 176.870 -0.477 0.000 1.083 439 L CA 1.744 56.276 54.840 -0.514 0.000 0.752 439 L CB -0.675 40.844 42.059 -0.900 0.000 0.899 439 L HN 0.409 nan 8.230 nan 0.000 0.433 440 N N -1.386 117.091 118.700 -0.372 0.000 2.336 440 N HA -0.091 4.563 4.740 -0.143 0.000 0.189 440 N C 0.141 175.595 175.510 -0.093 0.000 1.113 440 N CA 0.040 53.007 53.050 -0.138 0.000 0.858 440 N CB 0.074 38.503 38.487 -0.096 0.000 0.970 440 N HN -0.087 nan 8.380 nan 0.000 0.471 441 K N -0.524 119.749 120.400 -0.212 0.000 3.129 441 K HA -0.118 4.116 4.320 -0.143 0.000 0.273 441 K C 0.870 177.290 176.600 -0.300 0.000 1.123 441 K CA 0.785 56.956 56.287 -0.194 0.000 0.800 441 K CB -2.542 29.933 32.500 -0.041 0.000 1.238 441 K HN 0.716 nan 8.250 nan 0.000 0.492 442 G N -1.189 107.435 108.800 -0.293 0.000 2.160 442 G HA2 -0.355 3.520 3.960 -0.143 0.000 0.251 442 G HA3 -0.355 3.520 3.960 -0.143 0.000 0.251 442 G C -0.265 174.322 174.900 -0.522 0.000 1.008 442 G CA 0.654 45.525 45.100 -0.383 0.000 0.724 442 G HN 0.398 nan 8.290 nan 0.000 0.514 443 Y N 0.041 120.300 120.300 -0.069 0.000 2.425 443 Y HA 0.539 5.003 4.550 -0.143 0.000 0.344 443 Y C -1.894 173.981 175.900 -0.041 0.000 0.969 443 Y CA -2.512 55.557 58.100 -0.052 0.000 1.052 443 Y CB 2.304 40.730 38.460 -0.057 0.000 1.215 443 Y HN 0.001 nan 8.280 nan 0.000 0.451 444 P HA 0.170 nan 4.420 nan 0.000 0.271 444 P C -0.722 176.641 177.300 0.105 0.000 1.216 444 P CA -0.027 63.173 63.100 0.167 0.000 0.771 444 P CB 1.082 32.858 31.700 0.125 0.000 0.864 445 A N 3.867 126.763 122.820 0.128 0.000 2.286 445 A HA 0.299 4.534 4.320 -0.143 0.000 0.286 445 A C 0.386 177.992 177.584 0.037 0.000 1.097 445 A CA -0.494 51.552 52.037 0.016 0.000 0.821 445 A CB 0.165 19.163 19.000 -0.003 0.000 1.076 445 A HN 0.504 nan 8.150 nan 0.000 0.490 446 Q N -0.161 119.646 119.800 0.012 0.000 2.327 446 Q HA 0.506 4.761 4.340 -0.143 0.000 0.254 446 Q C -0.265 175.760 176.000 0.043 0.000 0.952 446 Q CA 0.198 56.022 55.803 0.034 0.000 0.884 446 Q CB 1.405 30.157 28.738 0.024 0.000 1.224 446 Q HN 0.780 nan 8.270 nan 0.000 0.422 447 A N 3.082 125.941 122.820 0.065 0.000 2.371 447 A HA 0.677 4.911 4.320 -0.143 0.000 0.311 447 A C -0.399 177.237 177.584 0.086 0.000 1.068 447 A CA -0.625 51.454 52.037 0.070 0.000 0.744 447 A CB 0.947 19.998 19.000 0.085 0.000 1.239 447 A HN 0.865 nan 8.150 nan 0.000 0.435 448 N N 0.611 119.347 118.700 0.060 0.000 3.566 448 N HA 0.216 4.870 4.740 -0.143 0.000 0.354 448 N C 0.789 176.295 175.510 -0.006 0.000 1.632 448 N CA -0.180 52.904 53.050 0.056 0.000 0.690 448 N CB 0.051 38.551 38.487 0.021 0.000 2.273 448 N HN 0.515 nan 8.380 nan 0.000 0.643 449 Q N -0.715 118.987 119.800 -0.164 0.000 2.050 449 Q HA -0.128 4.126 4.340 -0.143 0.000 0.202 449 Q C 1.250 177.076 176.000 -0.290 0.000 0.980 449 Q CA 2.960 58.466 55.803 -0.494 0.000 0.840 449 Q CB -0.324 27.874 28.738 -0.900 0.000 0.898 449 Q HN 0.850 nan 8.270 nan 0.000 0.424 450 T N -3.073 111.367 114.554 -0.191 0.000 3.035 450 T HA 0.140 4.405 4.350 -0.143 0.000 0.259 450 T C 0.587 175.248 174.700 -0.064 0.000 1.078 450 T CA 0.128 62.154 62.100 -0.123 0.000 1.132 450 T CB 0.323 69.130 68.868 -0.101 0.000 0.900 450 T HN 0.006 nan 8.240 nan 0.000 0.480 451 V N 0.971 120.859 119.914 -0.042 0.000 2.540 451 V HA 0.701 4.735 4.120 -0.143 0.000 0.302 451 V C 1.231 177.333 176.094 0.014 0.000 1.035 451 V CA -0.270 62.023 62.300 -0.011 0.000 0.873 451 V CB 0.751 32.569 31.823 -0.008 0.000 0.992 451 V HN 0.637 nan 8.190 nan 0.000 0.428 452 G N 3.748 112.562 108.800 0.024 0.000 2.155 452 G HA2 -0.300 3.574 3.960 -0.143 0.000 0.257 452 G HA3 -0.300 3.574 3.960 -0.143 0.000 0.257 452 G C 0.537 175.472 174.900 0.058 0.000 0.983 452 G CA 0.275 45.400 45.100 0.043 0.000 0.676 452 G HN 0.879 nan 8.290 nan 0.000 0.528 453 R N -1.192 119.340 120.500 0.054 0.000 3.251 453 R HA -0.148 4.107 4.340 -0.143 0.000 0.249 453 R C 1.136 177.510 176.300 0.123 0.000 0.949 453 R CA 0.801 56.950 56.100 0.081 0.000 0.645 453 R CB -1.863 28.480 30.300 0.072 0.000 1.065 453 R HN 1.342 nan 8.270 nan 0.000 0.452 454 G N 0.310 109.195 108.800 0.141 0.000 2.451 454 G HA2 0.412 4.286 3.960 -0.143 0.000 0.303 454 G HA3 0.412 4.286 3.960 -0.143 0.000 0.303 454 G C -0.316 174.757 174.900 0.288 0.000 1.166 454 G CA -0.694 44.521 45.100 0.193 0.000 0.884 454 G HN 0.234 nan 8.290 nan 0.000 0.514 455 F N 1.354 121.391 119.950 0.144 0.000 2.595 455 F HA 0.475 4.917 4.527 -0.142 0.000 0.359 455 F C -0.197 175.740 175.800 0.228 0.000 1.147 455 F CA -0.152 57.912 58.000 0.107 0.000 1.341 455 F CB 0.330 39.351 39.000 0.035 0.000 1.104 455 F HN 0.407 nan 8.300 nan 0.000 0.603 456 F N 2.120 121.553 119.950 -0.861 0.000 2.596 456 F HA 0.493 4.934 4.527 -0.143 0.000 0.311 456 F C -0.759 174.572 175.800 -0.781 0.000 1.116 456 F CA -1.155 56.525 58.000 -0.535 0.000 0.957 456 F CB 0.205 39.058 39.000 -0.246 0.000 1.250 456 F HN 0.308 nan 8.300 nan 0.000 0.444 457 T N 1.503 115.928 114.554 -0.216 0.000 2.926 457 T HA 0.179 4.444 4.350 -0.143 0.000 0.307 457 T C 0.120 174.790 174.700 -0.049 0.000 1.059 457 T CA -0.034 62.003 62.100 -0.106 0.000 1.122 457 T CB 0.484 69.433 68.868 0.135 0.000 0.972 457 T HN 0.760 nan 8.240 nan 0.000 0.545 458 T N 5.989 120.499 114.554 -0.074 0.000 2.792 458 T HA 0.057 4.321 4.350 -0.143 0.000 0.286 458 T C -1.359 173.384 174.700 0.072 0.000 0.970 458 T CA -0.905 61.197 62.100 0.003 0.000 1.187 458 T CB 0.443 69.304 68.868 -0.011 0.000 0.915 458 T HN 0.413 nan 8.240 nan 0.000 0.529 459 P HA -0.033 nan 4.420 nan 0.000 0.219 459 P C 1.665 178.995 177.300 0.050 0.000 1.146 459 P CA 0.626 63.774 63.100 0.081 0.000 0.808 459 P CB 0.026 31.764 31.700 0.064 0.000 0.779 460 G N -0.879 107.946 108.800 0.042 0.000 2.650 460 G HA2 -0.106 3.768 3.960 -0.143 0.000 0.214 460 G HA3 -0.106 3.768 3.960 -0.143 0.000 0.214 460 G C 0.787 175.703 174.900 0.027 0.000 1.136 460 G CA -0.172 44.945 45.100 0.028 0.000 0.789 460 G HN 0.211 nan 8.290 nan 0.000 0.536 461 R N 1.156 121.677 120.500 0.035 0.000 2.522 461 R HA 0.282 4.536 4.340 -0.143 0.000 0.284 461 R C 0.014 176.334 176.300 0.034 0.000 1.032 461 R CA 0.638 56.759 56.100 0.036 0.000 1.049 461 R CB 0.357 30.687 30.300 0.049 0.000 0.956 461 R HN 0.310 nan 8.270 nan 0.000 0.422 462 T N -1.058 113.511 114.554 0.026 0.000 2.906 462 T HA 0.716 4.981 4.350 -0.143 0.000 0.295 462 T C -0.726 173.986 174.700 0.019 0.000 1.061 462 T CA -1.011 61.102 62.100 0.022 0.000 1.000 462 T CB 2.209 71.086 68.868 0.014 0.000 1.103 462 T HN 0.558 nan 8.240 nan 0.000 0.486 463 A N 1.542 124.372 122.820 0.017 0.000 2.350 463 A HA 0.899 5.134 4.320 -0.143 0.000 0.324 463 A C -0.037 177.551 177.584 0.007 0.000 1.118 463 A CA -0.713 51.331 52.037 0.012 0.000 0.783 463 A CB 1.096 20.104 19.000 0.013 0.000 1.236 463 A HN 1.835 nan 8.150 nan 0.000 0.457 464 S N 0.710 116.412 115.700 0.002 0.000 2.592 464 S HA 0.844 5.228 4.470 -0.143 0.000 0.275 464 S C -0.299 174.298 174.600 -0.004 0.000 1.169 464 S CA 0.048 58.247 58.200 -0.001 0.000 0.958 464 S CB 0.860 64.059 63.200 -0.001 0.000 1.095 464 S HN 2.785 nan 8.310 nan 0.000 0.471 465 G N 0.562 109.359 108.800 -0.005 0.000 2.354 465 G HA2 0.317 4.191 3.960 -0.143 0.000 0.582 465 G HA3 0.317 4.191 3.960 -0.143 0.000 0.582 465 G C -0.919 173.975 174.900 -0.009 0.000 1.316 465 G CA -0.328 44.767 45.100 -0.008 0.000 0.995 465 G HN 1.771 nan 8.290 nan 0.000 0.573 466 V N 0.719 120.627 119.914 -0.010 0.000 2.924 466 V HA 0.537 4.571 4.120 -0.143 0.000 0.305 466 V C 1.039 177.125 176.094 -0.014 0.000 1.073 466 V CA -0.533 61.760 62.300 -0.011 0.000 1.098 466 V CB 0.826 32.643 31.823 -0.011 0.000 1.000 466 V HN 0.705 nan 8.190 nan 0.000 0.484 467 L N 6.551 127.766 121.223 -0.013 0.000 2.418 467 L HA 0.324 4.578 4.340 -0.143 0.000 0.274 467 L C 0.126 176.985 176.870 -0.019 0.000 1.135 467 L CA 0.183 55.013 54.840 -0.017 0.000 0.870 467 L CB 0.018 42.068 42.059 -0.014 0.000 1.154 467 L HN 0.928 nan 8.230 nan 0.000 0.462 468 N N 1.804 120.489 118.700 -0.025 0.000 2.242 468 N HA 0.447 5.101 4.740 -0.143 0.000 0.292 468 N C -0.795 174.696 175.510 -0.032 0.000 1.125 468 N CA -1.104 51.930 53.050 -0.027 0.000 0.783 468 N CB 1.470 39.939 38.487 -0.031 0.000 1.558 468 N HN 0.322 nan 8.380 nan 0.000 0.472 469 R N 0.826 121.309 120.500 -0.028 0.000 3.785 469 R HA 0.281 4.536 4.340 -0.143 0.000 0.255 469 R C -0.842 175.439 176.300 -0.032 0.000 1.485 469 R CA -0.170 55.912 56.100 -0.029 0.000 1.555 469 R CB 0.144 30.432 30.300 -0.020 0.000 1.362 469 R HN 0.653 nan 8.270 nan 0.000 0.702 470 E N 0.559 120.731 120.200 -0.048 0.000 2.433 470 E HA 0.436 4.700 4.350 -0.143 0.000 0.273 470 E C -0.949 175.589 176.600 -0.103 0.000 0.950 470 E CA -0.899 55.467 56.400 -0.057 0.000 0.796 470 E CB 2.270 31.942 29.700 -0.047 0.000 1.330 470 E HN 0.062 nan 8.360 nan 0.000 0.455 471 L N 0.728 121.879 121.223 -0.120 0.000 2.334 471 L HA 0.419 4.673 4.340 -0.143 0.000 0.272 471 L C 0.260 176.999 176.870 -0.219 0.000 1.020 471 L CA -0.669 54.022 54.840 -0.248 0.000 0.812 471 L CB 1.922 43.847 42.059 -0.223 0.000 1.264 471 L HN 0.443 nan 8.230 nan 0.000 0.439 472 S N 0.640 116.123 115.700 -0.362 0.000 2.579 472 S HA 0.204 4.588 4.470 -0.143 0.000 0.275 472 S C 1.064 175.680 174.600 0.027 0.000 1.345 472 S CA 0.169 58.291 58.200 -0.131 0.000 1.031 472 S CB 1.378 64.542 63.200 -0.061 0.000 0.892 472 S HN 0.693 nan 8.310 nan 0.000 0.529 473 A N 2.428 125.284 122.820 0.060 0.000 2.119 473 A HA 0.017 4.251 4.320 -0.143 0.000 0.217 473 A C 2.049 179.707 177.584 0.123 0.000 1.153 473 A CA 1.586 53.671 52.037 0.079 0.000 0.692 473 A CB -1.150 17.878 19.000 0.047 0.000 0.799 473 A HN 1.015 nan 8.150 nan 0.000 0.458 474 T N -4.194 110.474 114.554 0.189 0.000 3.118 474 T HA 0.056 4.321 4.350 -0.143 0.000 0.260 474 T C 0.934 175.759 174.700 0.209 0.000 1.139 474 T CA 0.530 62.738 62.100 0.179 0.000 1.085 474 T CB -0.501 68.465 68.868 0.163 0.000 0.934 474 T HN 0.225 nan 8.240 nan 0.000 0.518 475 F N 1.644 121.590 119.950 -0.006 0.000 2.765 475 F HA 0.313 4.754 4.527 -0.143 0.000 0.302 475 F C 1.391 177.113 175.800 -0.131 0.000 1.111 475 F CA -1.036 56.958 58.000 -0.012 0.000 1.359 475 F CB -0.024 39.003 39.000 0.045 0.000 1.097 475 F HN 0.111 nan 8.300 nan 0.000 0.577 476 D N -0.518 119.880 120.400 -0.003 0.000 2.224 476 D HA -0.119 4.435 4.640 -0.143 0.000 0.205 476 D C 0.682 176.638 176.300 -0.573 0.000 0.965 476 D CA 0.891 54.780 54.000 -0.185 0.000 0.852 476 D CB -0.184 40.613 40.800 -0.005 0.000 0.947 476 D HN 0.106 nan 8.370 nan 0.000 0.494 477 D N 0.308 120.470 120.400 -0.396 0.000 2.338 477 D HA -0.022 4.532 4.640 -0.143 0.000 0.255 477 D C 0.448 176.389 176.300 -0.598 0.000 1.237 477 D CA 0.084 53.854 54.000 -0.382 0.000 0.883 477 D CB 0.292 41.013 40.800 -0.133 0.000 1.087 477 D HN 0.211 nan 8.370 nan 0.000 0.485 478 H N 3.416 122.206 119.070 -0.466 0.000 2.755 478 H HA 0.062 4.532 4.556 -0.143 0.000 0.273 478 H C 0.158 174.965 175.328 -0.869 0.000 1.055 478 H CA 0.103 55.741 56.048 -0.683 0.000 1.191 478 H CB 0.597 29.858 29.762 -0.835 0.000 1.536 478 H HN 0.513 nan 8.280 nan 0.000 0.529 479 Y N -0.618 119.449 120.300 -0.388 0.000 2.452 479 Y HA 0.101 4.565 4.550 -0.143 0.000 0.262 479 Y C 2.268 178.055 175.900 -0.190 0.000 1.089 479 Y CA 0.230 58.126 58.100 -0.339 0.000 1.262 479 Y CB 0.365 38.527 38.460 -0.496 0.000 1.236 479 Y HN -0.050 nan 8.280 nan 0.000 0.512 480 T N 0.237 114.775 114.554 -0.028 0.000 2.737 480 T HA -0.157 4.108 4.350 -0.143 0.000 0.265 480 T C 1.748 176.506 174.700 0.098 0.000 1.038 480 T CA 1.578 63.757 62.100 0.132 0.000 1.144 480 T CB -0.129 68.766 68.868 0.045 0.000 0.866 480 T HN 0.339 nan 8.240 nan 0.000 0.434 481 Q N 0.216 119.895 119.800 -0.202 0.000 2.083 481 Q HA -0.029 4.226 4.340 -0.143 0.000 0.198 481 Q C -0.474 175.353 176.000 -0.288 0.000 0.969 481 Q CA 1.209 56.797 55.803 -0.358 0.000 0.838 481 Q CB -1.218 27.057 28.738 -0.772 0.000 0.900 481 Q HN 0.409 nan 8.270 nan 0.000 0.436 482 P HA -0.211 nan 4.420 nan 0.000 0.216 482 P C 1.113 178.375 177.300 -0.063 0.000 1.154 482 P CA 1.458 64.435 63.100 -0.204 0.000 0.865 482 P CB -0.049 31.381 31.700 -0.451 0.000 0.789 483 R N -0.334 120.155 120.500 -0.019 0.000 2.075 483 R HA -0.080 4.174 4.340 -0.143 0.000 0.232 483 R C 2.074 178.432 176.300 0.097 0.000 1.126 483 R CA 1.174 57.285 56.100 0.017 0.000 0.963 483 R CB -1.703 28.552 30.300 -0.074 0.000 0.858 483 R HN 0.073 nan 8.270 nan 0.000 0.435 484 L N -0.044 121.333 121.223 0.258 0.000 2.042 484 L HA -0.057 4.198 4.340 -0.143 0.000 0.210 484 L C 2.029 179.093 176.870 0.323 0.000 1.076 484 L CA 1.797 56.851 54.840 0.357 0.000 0.749 484 L CB -0.850 41.419 42.059 0.351 0.000 0.893 484 L HN 0.294 nan 8.230 nan 0.000 0.432 485 F N -0.923 119.176 119.950 0.249 0.000 2.146 485 F HA -0.241 4.201 4.527 -0.143 0.000 0.298 485 F C 2.184 178.048 175.800 0.108 0.000 1.096 485 F CA 1.603 59.712 58.000 0.182 0.000 1.275 485 F CB -0.618 38.496 39.000 0.190 0.000 1.008 485 F HN 0.179 nan 8.300 nan 0.000 0.480 486 F N 1.426 121.361 119.950 -0.025 0.000 2.186 486 F HA -0.170 4.271 4.527 -0.143 0.000 0.299 486 F C 2.031 177.747 175.800 -0.140 0.000 1.090 486 F CA 1.724 59.675 58.000 -0.083 0.000 1.307 486 F CB -0.683 38.417 39.000 0.167 0.000 1.019 486 F HN -0.070 nan 8.300 nan 0.000 0.489 487 N N -0.218 118.477 118.700 -0.008 0.000 2.244 487 N HA -0.115 4.540 4.740 -0.143 0.000 0.183 487 N C 1.627 177.045 175.510 -0.153 0.000 1.016 487 N CA 1.380 54.380 53.050 -0.083 0.000 0.866 487 N CB -0.525 37.965 38.487 0.006 0.000 0.980 487 N HN 0.137 nan 8.380 nan 0.000 0.430 488 S N 0.044 115.648 115.700 -0.159 0.000 2.631 488 S HA 0.207 4.591 4.470 -0.143 0.000 0.217 488 S C 0.643 175.086 174.600 -0.261 0.000 0.958 488 S CA -0.042 58.069 58.200 -0.148 0.000 0.920 488 S CB 0.112 63.285 63.200 -0.046 0.000 0.776 488 S HN 0.170 nan 8.310 nan 0.000 0.517 489 L N 1.747 122.729 121.223 -0.401 0.000 2.375 489 L HA 0.390 4.645 4.340 -0.143 0.000 0.268 489 L C 0.939 177.625 176.870 -0.307 0.000 1.058 489 L CA -0.834 53.768 54.840 -0.396 0.000 0.803 489 L CB 1.014 42.739 42.059 -0.557 0.000 1.212 489 L HN 0.093 nan 8.230 nan 0.000 0.451 490 T N -2.131 112.291 114.554 -0.220 0.000 2.868 490 T HA 0.185 4.450 4.350 -0.143 0.000 0.292 490 T C -1.953 172.600 174.700 -0.245 0.000 1.028 490 T CA -1.510 60.482 62.100 -0.180 0.000 1.059 490 T CB 1.046 69.853 68.868 -0.101 0.000 0.991 490 T HN 0.337 nan 8.240 nan 0.000 0.531 491 P HA -0.123 nan 4.420 nan 0.000 0.216 491 P C 1.696 178.826 177.300 -0.283 0.000 1.154 491 P CA 0.663 63.633 63.100 -0.216 0.000 0.865 491 P CB -0.185 31.430 31.700 -0.142 0.000 0.789 492 V N -0.224 119.500 119.914 -0.317 0.000 2.453 492 V HA -0.201 3.834 4.120 -0.143 0.000 0.247 492 V C 2.267 177.853 176.094 -0.846 0.000 1.048 492 V CA 1.697 63.667 62.300 -0.550 0.000 1.049 492 V CB -1.164 30.371 31.823 -0.479 0.000 0.672 492 V HN 0.172 nan 8.190 nan 0.000 0.457 493 E N -0.177 119.725 120.200 -0.497 0.000 2.106 493 E HA -0.250 4.015 4.350 -0.143 0.000 0.192 493 E C 2.335 178.762 176.600 -0.289 0.000 0.984 493 E CA 1.139 57.362 56.400 -0.295 0.000 0.806 493 E CB -0.114 29.526 29.700 -0.101 0.000 0.750 493 E HN 0.667 nan 8.360 nan 0.000 0.458 494 Q N 0.194 119.761 119.800 -0.389 0.000 2.167 494 Q HA -0.218 4.037 4.340 -0.143 0.000 0.202 494 Q C 2.109 178.024 176.000 -0.142 0.000 0.970 494 Q CA 1.111 56.669 55.803 -0.408 0.000 0.855 494 Q CB -0.013 28.344 28.738 -0.636 0.000 0.911 494 Q HN 0.101 nan 8.270 nan 0.000 0.438 495 Q N 0.066 119.710 119.800 -0.260 0.000 2.079 495 Q HA -0.135 4.119 4.340 -0.143 0.000 0.200 495 Q C 1.442 177.372 176.000 -0.116 0.000 0.974 495 Q CA 1.431 57.113 55.803 -0.202 0.000 0.840 495 Q CB -0.072 28.472 28.738 -0.323 0.000 0.898 495 Q HN 0.271 nan 8.270 nan 0.000 0.430 496 F N -0.802 119.067 119.950 -0.135 0.000 2.134 496 F HA -0.152 4.290 4.527 -0.142 0.000 0.299 496 F C 2.216 177.975 175.800 -0.068 0.000 1.097 496 F CA 0.801 58.716 58.000 -0.142 0.000 1.264 496 F CB -1.001 37.848 39.000 -0.253 0.000 1.001 496 F HN -0.046 nan 8.300 nan 0.000 0.479 497 V N 0.174 120.171 119.914 0.139 0.000 2.358 497 V HA -0.270 3.765 4.120 -0.143 0.000 0.246 497 V C 2.398 178.508 176.094 0.027 0.000 1.047 497 V CA 1.608 63.954 62.300 0.077 0.000 1.035 497 V CB -0.608 31.280 31.823 0.108 0.000 0.658 497 V HN 0.258 nan 8.190 nan 0.000 0.452 498 I N 0.512 121.124 120.570 0.070 0.000 2.202 498 I HA -0.196 3.889 4.170 -0.143 0.000 0.242 498 I C 2.324 178.469 176.117 0.046 0.000 1.091 498 I CA 1.409 62.733 61.300 0.041 0.000 1.368 498 I CB -0.496 37.547 38.000 0.073 0.000 1.058 498 I HN 0.336 nan 8.210 nan 0.000 0.410 499 N N 1.186 119.932 118.700 0.077 0.000 2.223 499 N HA -0.129 4.525 4.740 -0.143 0.000 0.185 499 N C 1.821 177.392 175.510 0.101 0.000 1.016 499 N CA 1.502 54.617 53.050 0.108 0.000 0.863 499 N CB -0.385 38.195 38.487 0.155 0.000 0.983 499 N HN 0.361 nan 8.380 nan 0.000 0.429 500 A N 0.805 123.656 122.820 0.051 0.000 1.898 500 A HA -0.012 4.223 4.320 -0.143 0.000 0.216 500 A C 2.275 179.896 177.584 0.062 0.000 1.181 500 A CA 0.795 52.818 52.037 -0.023 0.000 0.620 500 A CB -0.563 18.399 19.000 -0.063 0.000 0.819 500 A HN 0.201 nan 8.150 nan 0.000 0.442 501 I N -0.949 119.655 120.570 0.057 0.000 2.252 501 I HA -0.259 3.825 4.170 -0.143 0.000 0.245 501 I C 2.768 178.838 176.117 -0.079 0.000 1.102 501 I CA 1.281 62.606 61.300 0.041 0.000 1.385 501 I CB -0.343 37.670 38.000 0.022 0.000 1.064 501 I HN 0.283 nan 8.210 nan 0.000 0.414 502 R N 0.125 120.620 120.500 -0.009 0.000 2.096 502 R HA -0.235 4.020 4.340 -0.143 0.000 0.240 502 R C 2.332 178.651 176.300 0.030 0.000 1.139 502 R CA 2.079 58.176 56.100 -0.005 0.000 0.952 502 R CB -0.606 29.724 30.300 0.051 0.000 0.854 502 R HN 0.266 nan 8.270 nan 0.000 0.436 503 F N 1.934 121.874 119.950 -0.017 0.000 2.075 503 F HA -0.194 4.247 4.527 -0.143 0.000 0.297 503 F C 2.070 177.947 175.800 0.129 0.000 1.113 503 F CA 1.648 59.691 58.000 0.072 0.000 1.218 503 F CB -0.059 38.971 39.000 0.049 0.000 0.984 503 F HN -0.027 nan 8.300 nan 0.000 0.472 504 E N 0.156 120.393 120.200 0.062 0.000 2.107 504 E HA -0.136 4.128 4.350 -0.143 0.000 0.191 504 E C 2.313 178.657 176.600 -0.426 0.000 0.982 504 E CA 0.895 57.249 56.400 -0.076 0.000 0.809 504 E CB -0.419 29.447 29.700 0.277 0.000 0.756 504 E HN 0.508 nan 8.360 nan 0.000 0.459 505 A N 1.663 124.085 122.820 -0.663 0.000 2.015 505 A HA -0.142 4.092 4.320 -0.143 0.000 0.219 505 A C 2.327 179.688 177.584 -0.372 0.000 1.163 505 A CA 1.579 53.160 52.037 -0.760 0.000 0.646 505 A CB -0.417 18.187 19.000 -0.661 0.000 0.806 505 A HN 0.299 nan 8.150 nan 0.000 0.448 506 S N -0.757 114.788 115.700 -0.259 0.000 2.453 506 S HA -0.161 4.224 4.470 -0.143 0.000 0.231 506 S C 1.508 175.944 174.600 -0.273 0.000 1.005 506 S CA 1.296 59.355 58.200 -0.235 0.000 0.949 506 S CB -0.738 62.319 63.200 -0.237 0.000 0.774 506 S HN 0.691 nan 8.310 nan 0.000 0.510 507 H N 0.783 119.689 119.070 -0.273 0.000 2.547 507 H HA 0.312 4.782 4.556 -0.143 0.000 0.272 507 H C 0.201 175.461 175.328 -0.113 0.000 0.989 507 H CA 0.428 56.365 56.048 -0.184 0.000 1.214 507 H CB -0.178 29.479 29.762 -0.175 0.000 1.389 507 H HN 0.234 nan 8.280 nan 0.000 0.577 508 V N 2.553 122.436 119.914 -0.051 0.000 2.446 508 V HA -0.063 3.971 4.120 -0.143 0.000 0.276 508 V C 1.568 177.641 176.094 -0.034 0.000 1.030 508 V CA 0.747 63.025 62.300 -0.035 0.000 1.033 508 V CB 0.915 32.686 31.823 -0.086 0.000 0.993 508 V HN 0.588 nan 8.190 nan 0.000 0.477 509 T N 1.383 115.935 114.554 -0.004 0.000 2.812 509 T HA -0.097 4.167 4.350 -0.143 0.000 0.264 509 T C 1.009 175.704 174.700 -0.009 0.000 1.042 509 T CA 0.461 62.555 62.100 -0.010 0.000 1.140 509 T CB -0.191 68.679 68.868 0.004 0.000 0.870 509 T HN 0.545 nan 8.240 nan 0.000 0.445 510 N N 1.783 120.485 118.700 0.003 0.000 2.468 510 N HA -0.016 4.638 4.740 -0.143 0.000 0.265 510 N C 0.885 176.395 175.510 -0.000 0.000 1.199 510 N CA 0.183 53.236 53.050 0.005 0.000 0.928 510 N CB 1.451 39.948 38.487 0.016 0.000 1.059 510 N HN 0.401 nan 8.380 nan 0.000 0.467 511 E N 2.949 123.148 120.200 -0.001 0.000 2.047 511 E HA -0.218 4.046 4.350 -0.143 0.000 0.191 511 E C 1.469 178.072 176.600 0.006 0.000 0.987 511 E CA 1.435 57.833 56.400 -0.003 0.000 0.799 511 E CB -0.034 29.664 29.700 -0.003 0.000 0.752 511 E HN 0.644 nan 8.360 nan 0.000 0.449 512 Q N -0.140 119.668 119.800 0.012 0.000 2.170 512 Q HA -0.061 4.194 4.340 -0.143 0.000 0.203 512 Q C 1.995 178.014 176.000 0.031 0.000 0.976 512 Q CA 1.478 57.293 55.803 0.020 0.000 0.858 512 Q CB -0.254 28.496 28.738 0.020 0.000 0.907 512 Q HN 0.277 nan 8.270 nan 0.000 0.433 513 V N 0.581 120.515 119.914 0.033 0.000 2.343 513 V HA -0.250 3.784 4.120 -0.143 0.000 0.247 513 V C 2.092 178.223 176.094 0.061 0.000 1.051 513 V CA 2.091 64.423 62.300 0.053 0.000 1.036 513 V CB -0.460 31.396 31.823 0.055 0.000 0.654 513 V HN 0.355 nan 8.190 nan 0.000 0.451 514 K N -0.009 120.407 120.400 0.026 0.000 2.097 514 K HA -0.164 4.070 4.320 -0.143 0.000 0.206 514 K C 2.233 178.848 176.600 0.026 0.000 1.049 514 K CA 1.272 57.561 56.287 0.004 0.000 0.933 514 K CB -0.178 32.300 32.500 -0.035 0.000 0.717 514 K HN 0.433 nan 8.250 nan 0.000 0.442 515 K N 0.690 121.108 120.400 0.029 0.000 2.097 515 K HA -0.087 4.147 4.320 -0.143 0.000 0.205 515 K C 1.692 178.327 176.600 0.059 0.000 1.050 515 K CA 1.384 57.693 56.287 0.037 0.000 0.938 515 K CB -0.146 32.371 32.500 0.028 0.000 0.718 515 K HN 0.242 nan 8.250 nan 0.000 0.442 516 N N 0.296 119.037 118.700 0.068 0.000 2.244 516 N HA -0.130 4.524 4.740 -0.143 0.000 0.183 516 N C 1.697 177.284 175.510 0.129 0.000 1.016 516 N CA 0.727 53.830 53.050 0.088 0.000 0.866 516 N CB 0.080 38.615 38.487 0.081 0.000 0.980 516 N HN -0.074 nan 8.380 nan 0.000 0.430 517 V N 1.556 121.561 119.914 0.151 0.000 2.307 517 V HA -0.160 3.874 4.120 -0.143 0.000 0.245 517 V C 2.152 178.357 176.094 0.185 0.000 1.045 517 V CA 1.320 63.755 62.300 0.224 0.000 1.024 517 V CB -0.463 31.515 31.823 0.259 0.000 0.651 517 V HN 0.292 nan 8.190 nan 0.000 0.449 518 L N -0.114 121.180 121.223 0.118 0.000 2.141 518 L HA -0.181 4.073 4.340 -0.143 0.000 0.209 518 L C 2.555 179.487 176.870 0.103 0.000 1.094 518 L CA 1.641 56.538 54.840 0.096 0.000 0.763 518 L CB -0.505 41.587 42.059 0.055 0.000 0.908 518 L HN 0.443 nan 8.230 nan 0.000 0.437 519 E N -0.272 119.989 120.200 0.101 0.000 2.077 519 E HA -0.235 4.030 4.350 -0.143 0.000 0.193 519 E C 2.203 178.873 176.600 0.117 0.000 0.989 519 E CA 1.035 57.491 56.400 0.092 0.000 0.800 519 E CB 0.200 29.948 29.700 0.080 0.000 0.746 519 E HN 0.433 nan 8.360 nan 0.000 0.452 520 Q N 0.127 120.027 119.800 0.167 0.000 2.123 520 Q HA -0.073 4.181 4.340 -0.143 0.000 0.199 520 Q C 2.453 178.609 176.000 0.260 0.000 0.966 520 Q CA 0.720 56.668 55.803 0.242 0.000 0.845 520 Q CB -0.150 28.750 28.738 0.270 0.000 0.907 520 Q HN 0.390 nan 8.270 nan 0.000 0.439 521 L N 0.981 122.346 121.223 0.237 0.000 2.131 521 L HA -0.192 4.062 4.340 -0.143 0.000 0.210 521 L C 2.155 179.128 176.870 0.171 0.000 1.092 521 L CA 1.061 56.043 54.840 0.237 0.000 0.759 521 L CB -0.426 41.762 42.059 0.215 0.000 0.903 521 L HN 0.233 nan 8.230 nan 0.000 0.435 522 N N 0.398 119.182 118.700 0.141 0.000 2.223 522 N HA -0.183 4.471 4.740 -0.143 0.000 0.185 522 N C 1.706 177.341 175.510 0.208 0.000 1.016 522 N CA 1.279 54.413 53.050 0.140 0.000 0.863 522 N CB 0.084 38.637 38.487 0.109 0.000 0.983 522 N HN 0.203 nan 8.380 nan 0.000 0.429 523 K N -0.305 120.162 120.400 0.112 0.000 2.148 523 K HA 0.001 4.235 4.320 -0.143 0.000 0.204 523 K C 1.802 178.510 176.600 0.181 0.000 1.050 523 K CA 0.869 57.147 56.287 -0.015 0.000 0.942 523 K CB 0.053 32.246 32.500 -0.512 0.000 0.724 523 K HN 0.292 nan 8.250 nan 0.000 0.446 524 I N -0.331 120.379 120.570 0.233 0.000 2.162 524 I HA -0.126 3.958 4.170 -0.143 0.000 0.238 524 I C 1.033 177.249 176.117 0.165 0.000 1.076 524 I CA 0.548 61.966 61.300 0.198 0.000 1.353 524 I CB 0.201 38.216 38.000 0.024 0.000 1.063 524 I HN -0.060 nan 8.210 nan 0.000 0.408 525 S N -0.459 115.272 115.700 0.053 0.000 2.566 525 S HA 0.188 4.572 4.470 -0.143 0.000 0.273 525 S C 0.227 174.727 174.600 -0.167 0.000 1.157 525 S CA -0.799 57.272 58.200 -0.215 0.000 0.938 525 S CB 1.151 64.185 63.200 -0.276 0.000 1.087 525 S HN 0.267 nan 8.310 nan 0.000 0.474 526 N N 2.741 121.251 118.700 -0.317 0.000 2.142 526 N HA -0.153 4.502 4.740 -0.143 0.000 0.186 526 N C 1.058 176.515 175.510 -0.089 0.000 1.023 526 N CA 1.617 54.602 53.050 -0.109 0.000 0.852 526 N CB -0.180 38.254 38.487 -0.088 0.000 0.998 526 N HN 0.748 nan 8.380 nan 0.000 0.424 527 D N 0.204 120.525 120.400 -0.131 0.000 2.117 527 D HA -0.094 4.460 4.640 -0.143 0.000 0.197 527 D C 2.037 178.304 176.300 -0.056 0.000 0.987 527 D CA 0.700 54.660 54.000 -0.067 0.000 0.829 527 D CB 0.061 40.836 40.800 -0.043 0.000 0.961 527 D HN 0.066 nan 8.370 nan 0.000 0.460 528 V N 0.675 120.516 119.914 -0.121 0.000 2.295 528 V HA -0.198 3.836 4.120 -0.143 0.000 0.246 528 V C 2.567 178.630 176.094 -0.053 0.000 1.049 528 V CA 1.784 63.997 62.300 -0.145 0.000 1.024 528 V CB -0.936 30.690 31.823 -0.327 0.000 0.648 528 V HN 0.309 nan 8.190 nan 0.000 0.447 529 A N -0.463 122.343 122.820 -0.023 0.000 1.933 529 A HA -0.232 4.002 4.320 -0.143 0.000 0.218 529 A C 2.299 179.889 177.584 0.010 0.000 1.175 529 A CA 1.955 54.003 52.037 0.018 0.000 0.628 529 A CB -0.420 18.607 19.000 0.045 0.000 0.814 529 A HN 0.536 nan 8.150 nan 0.000 0.444 530 K N -0.609 119.791 120.400 -0.000 0.000 2.002 530 K HA -0.140 4.095 4.320 -0.143 0.000 0.209 530 K C 2.353 178.955 176.600 0.003 0.000 1.048 530 K CA 1.743 58.032 56.287 0.003 0.000 0.930 530 K CB -0.185 32.315 32.500 -0.001 0.000 0.714 530 K HN 0.401 nan 8.250 nan 0.000 0.438 531 R N 0.250 120.751 120.500 0.001 0.000 2.075 531 R HA -0.073 4.181 4.340 -0.143 0.000 0.232 531 R C 2.278 178.581 176.300 0.005 0.000 1.126 531 R CA 1.075 57.180 56.100 0.008 0.000 0.963 531 R CB -0.383 29.927 30.300 0.018 0.000 0.858 531 R HN -0.007 nan 8.270 nan 0.000 0.435 532 V N 1.065 120.978 119.914 -0.002 0.000 2.407 532 V HA -0.219 3.816 4.120 -0.143 0.000 0.248 532 V C 2.330 178.415 176.094 -0.015 0.000 1.055 532 V CA 1.905 64.199 62.300 -0.011 0.000 1.049 532 V CB -0.641 31.173 31.823 -0.015 0.000 0.662 532 V HN 0.419 nan 8.190 nan 0.000 0.455 533 A N -0.247 122.569 122.820 -0.006 0.000 2.015 533 A HA -0.113 4.121 4.320 -0.143 0.000 0.219 533 A C 2.359 179.938 177.584 -0.008 0.000 1.163 533 A CA 1.662 53.694 52.037 -0.007 0.000 0.646 533 A CB -0.505 18.497 19.000 0.003 0.000 0.806 533 A HN 0.357 nan 8.150 nan 0.000 0.448 534 V N -0.133 119.780 119.914 -0.003 0.000 2.295 534 V HA -0.280 3.755 4.120 -0.143 0.000 0.246 534 V C 3.033 179.125 176.094 -0.003 0.000 1.049 534 V CA 2.017 64.317 62.300 0.000 0.000 1.024 534 V CB -1.231 30.596 31.823 0.007 0.000 0.648 534 V HN 0.602 nan 8.190 nan 0.000 0.447 535 A N -0.370 122.447 122.820 -0.006 0.000 1.930 535 A HA -0.073 4.161 4.320 -0.143 0.000 0.217 535 A C 2.125 179.692 177.584 -0.030 0.000 1.175 535 A CA 1.492 53.523 52.037 -0.010 0.000 0.627 535 A CB -0.463 18.535 19.000 -0.004 0.000 0.815 535 A HN 0.533 nan 8.150 nan 0.000 0.443 536 L N -1.258 119.941 121.223 -0.039 0.000 2.478 536 L HA 0.142 4.397 4.340 -0.143 0.000 0.223 536 L C 1.691 178.540 176.870 -0.035 0.000 1.140 536 L CA 0.528 55.337 54.840 -0.051 0.000 0.842 536 L CB -0.420 41.603 42.059 -0.060 0.000 0.953 536 L HN 0.572 nan 8.230 nan 0.000 0.452 537 G N 0.822 109.609 108.800 -0.023 0.000 2.160 537 G HA2 -0.269 3.605 3.960 -0.143 0.000 0.251 537 G HA3 -0.269 3.605 3.960 -0.143 0.000 0.251 537 G C 0.003 174.897 174.900 -0.012 0.000 1.008 537 G CA 0.085 45.176 45.100 -0.015 0.000 0.724 537 G HN 0.242 nan 8.290 nan 0.000 0.514 538 L N -0.584 120.632 121.223 -0.011 0.000 2.313 538 L HA 0.594 4.849 4.340 -0.143 0.000 0.268 538 L C 0.461 177.331 176.870 0.001 0.000 1.010 538 L CA -1.101 53.736 54.840 -0.005 0.000 0.814 538 L CB 1.392 43.447 42.059 -0.005 0.000 1.304 538 L HN 0.110 nan 8.230 nan 0.000 0.441 539 E N 1.188 121.391 120.200 0.005 0.000 2.167 539 E HA 0.418 4.683 4.350 -0.143 0.000 0.284 539 E C -0.525 176.084 176.600 0.014 0.000 1.016 539 E CA -0.571 55.834 56.400 0.009 0.000 0.817 539 E CB 1.644 31.349 29.700 0.009 0.000 1.080 539 E HN 0.602 nan 8.360 nan 0.000 0.397 540 A N 5.057 127.887 122.820 0.017 0.000 2.407 540 A HA 0.337 4.572 4.320 -0.143 0.000 0.248 540 A C -2.035 175.566 177.584 0.029 0.000 1.082 540 A CA -1.108 50.944 52.037 0.025 0.000 0.785 540 A CB -0.204 18.811 19.000 0.025 0.000 1.020 540 A HN 0.382 nan 8.150 nan 0.000 0.489 541 P HA 0.155 nan 4.420 nan 0.000 0.273 541 P C -0.384 176.942 177.300 0.042 0.000 1.250 541 P CA -0.382 62.739 63.100 0.036 0.000 0.793 541 P CB 0.325 32.048 31.700 0.040 0.000 1.011 542 Q N 0.729 120.551 119.800 0.037 0.000 2.421 542 Q HA 0.190 4.444 4.340 -0.143 0.000 0.255 542 Q C -2.008 174.032 176.000 0.066 0.000 1.013 542 Q CA -1.488 54.340 55.803 0.043 0.000 0.895 542 Q CB -0.985 27.771 28.738 0.029 0.000 1.271 542 Q HN 0.315 nan 8.270 nan 0.000 0.460 543 P HA -0.090 nan 4.420 nan 0.000 0.264 543 P C -0.557 176.796 177.300 0.088 0.000 1.183 543 P CA 0.448 63.659 63.100 0.186 0.000 0.763 543 P CB 0.377 32.201 31.700 0.206 0.000 0.807 544 D N 3.889 124.303 120.400 0.024 0.000 2.458 544 D HA 0.223 4.777 4.640 -0.143 0.000 0.258 544 D C -2.027 173.811 176.300 -0.770 0.000 1.134 544 D CA -2.276 51.575 54.000 -0.247 0.000 0.915 544 D CB 0.540 41.233 40.800 -0.178 0.000 1.028 544 D HN 0.088 nan 8.370 nan 0.000 0.508 545 P HA 0.073 nan 4.420 nan 0.000 0.256 545 P C 0.975 177.948 177.300 -0.546 0.000 1.335 545 P CA 0.189 62.872 63.100 -0.696 0.000 0.808 545 P CB 0.341 31.930 31.700 -0.184 0.000 1.305 546 T N -1.563 112.630 114.554 -0.600 0.000 2.777 546 T HA -0.131 4.133 4.350 -0.143 0.000 0.266 546 T C 0.826 175.149 174.700 -0.628 0.000 1.040 546 T CA 1.619 63.339 62.100 -0.633 0.000 1.141 546 T CB -0.611 67.738 68.868 -0.865 0.000 0.868 546 T HN 0.277 nan 8.240 nan 0.000 0.444 547 Y N -0.796 119.366 120.300 -0.229 0.000 2.557 547 Y HA 0.362 4.827 4.550 -0.143 0.000 0.247 547 Y C 0.152 176.179 175.900 0.211 0.000 1.164 547 Y CA -1.214 56.891 58.100 0.008 0.000 1.218 547 Y CB 0.069 38.559 38.460 0.050 0.000 1.210 547 Y HN 0.223 nan 8.280 nan 0.000 0.529 548 Y N 1.423 121.821 120.300 0.164 0.000 2.346 548 Y HA 0.326 4.790 4.550 -0.143 0.000 0.330 548 Y C 0.431 176.440 175.900 0.182 0.000 1.178 548 Y CA -0.441 57.724 58.100 0.107 0.000 1.331 548 Y CB 0.444 38.930 38.460 0.043 0.000 1.253 548 Y HN 0.260 nan 8.280 nan 0.000 0.529 549 H N -1.783 117.429 119.070 0.237 0.000 3.003 549 H HA 0.336 4.806 4.556 -0.143 0.000 0.327 549 H C -1.826 173.572 175.328 0.116 0.000 1.353 549 H CA -1.277 54.862 56.048 0.152 0.000 1.142 549 H CB 0.610 30.453 29.762 0.134 0.000 1.864 549 H HN 0.541 nan 8.280 nan 0.000 0.529 550 N N 0.165 118.981 118.700 0.193 0.000 2.238 550 N HA 0.106 4.760 4.740 -0.143 0.000 0.222 550 N C -0.645 174.967 175.510 0.170 0.000 1.133 550 N CA -0.553 52.563 53.050 0.111 0.000 0.854 550 N CB 0.224 38.761 38.487 0.083 0.000 1.041 550 N HN 0.365 nan 8.380 nan 0.000 0.510 551 N N 1.226 120.141 118.700 0.357 0.000 2.453 551 N HA 0.146 4.801 4.740 -0.143 0.000 0.253 551 N C -0.249 175.383 175.510 0.203 0.000 1.252 551 N CA -0.008 53.207 53.050 0.275 0.000 0.917 551 N CB 1.011 39.666 38.487 0.280 0.000 1.117 551 N HN -0.042 nan 8.380 nan 0.000 0.442 552 V N -2.542 117.450 119.914 0.130 0.000 3.007 552 V HA 0.812 4.846 4.120 -0.143 0.000 0.311 552 V C -0.052 176.096 176.094 0.091 0.000 1.120 552 V CA -0.750 61.608 62.300 0.096 0.000 0.980 552 V CB 1.794 33.643 31.823 0.044 0.000 1.033 552 V HN 0.601 nan 8.190 nan 0.000 0.429 553 T N 1.726 116.347 114.554 0.112 0.000 2.906 553 T HA 0.523 4.787 4.350 -0.143 0.000 0.295 553 T C -0.659 174.101 174.700 0.099 0.000 1.075 553 T CA -0.759 61.418 62.100 0.127 0.000 1.005 553 T CB 1.893 70.927 68.868 0.275 0.000 1.136 553 T HN 1.104 nan 8.240 nan 0.000 0.498 554 R N 1.314 121.862 120.500 0.080 0.000 2.357 554 R HA 0.490 4.744 4.340 -0.143 0.000 0.296 554 R C 0.757 177.107 176.300 0.084 0.000 1.052 554 R CA 0.924 57.058 56.100 0.058 0.000 0.988 554 R CB 0.300 30.617 30.300 0.028 0.000 1.025 554 R HN 1.073 nan 8.270 nan 0.000 0.469 555 G N 2.683 111.528 108.800 0.074 0.000 2.212 555 G HA2 -0.244 3.630 3.960 -0.143 0.000 0.255 555 G HA3 -0.244 3.630 3.960 -0.143 0.000 0.255 555 G C 0.165 175.157 174.900 0.153 0.000 1.062 555 G CA 0.266 45.427 45.100 0.101 0.000 0.815 555 G HN 0.762 nan 8.290 nan 0.000 0.497 556 V N -3.354 116.632 119.914 0.119 0.000 3.214 556 V HA 0.721 4.755 4.120 -0.143 0.000 0.330 556 V C 0.770 176.884 176.094 0.033 0.000 1.403 556 V CA 0.579 62.963 62.300 0.140 0.000 1.143 556 V CB 0.531 32.415 31.823 0.102 0.000 1.098 556 V HN 0.375 nan 8.190 nan 0.000 0.463 557 S N -0.255 115.471 115.700 0.044 0.000 2.704 557 S HA 0.800 5.184 4.470 -0.143 0.000 0.305 557 S C 0.389 175.021 174.600 0.053 0.000 1.107 557 S CA -0.400 57.810 58.200 0.018 0.000 0.993 557 S CB 2.251 65.450 63.200 -0.003 0.000 1.110 557 S HN 0.317 nan 8.310 nan 0.000 0.534 558 I N -1.191 119.411 120.570 0.053 0.000 3.486 558 I HA 0.157 4.241 4.170 -0.143 0.000 0.263 558 I C 0.344 176.398 176.117 -0.105 0.000 1.088 558 I CA 0.142 61.403 61.300 -0.065 0.000 1.548 558 I CB -0.251 37.640 38.000 -0.182 0.000 1.776 558 I HN 0.475 nan 8.210 nan 0.000 0.397 559 F N 2.423 122.404 119.950 0.052 0.000 2.805 559 F HA -0.010 4.431 4.527 -0.143 0.000 0.301 559 F C 1.875 177.695 175.800 0.034 0.000 1.196 559 F CA 0.681 58.724 58.000 0.072 0.000 1.439 559 F CB -0.844 38.236 39.000 0.133 0.000 1.117 559 F HN 0.230 nan 8.300 nan 0.000 0.581 560 N N 0.259 119.043 118.700 0.140 0.000 2.439 560 N HA -0.044 4.610 4.740 -0.143 0.000 0.176 560 N C 0.054 175.589 175.510 0.041 0.000 1.029 560 N CA 0.510 53.606 53.050 0.076 0.000 0.886 560 N CB 0.295 38.809 38.487 0.045 0.000 1.057 560 N HN 0.223 nan 8.380 nan 0.000 0.437 561 E N 0.088 120.302 120.200 0.023 0.000 2.207 561 E HA 0.291 4.556 4.350 -0.143 0.000 0.270 561 E C -0.615 175.983 176.600 -0.004 0.000 0.927 561 E CA -0.770 55.635 56.400 0.008 0.000 0.799 561 E CB 1.670 31.373 29.700 0.005 0.000 1.172 561 E HN 0.283 nan 8.360 nan 0.000 0.404 562 S N 1.783 117.484 115.700 0.001 0.000 2.603 562 S HA 0.297 4.681 4.470 -0.143 0.000 0.268 562 S C 0.068 174.662 174.600 -0.011 0.000 1.317 562 S CA -0.843 57.358 58.200 0.001 0.000 1.012 562 S CB 0.481 63.689 63.200 0.014 0.000 0.926 562 S HN 0.262 nan 8.310 nan 0.000 0.539 563 L N 2.714 123.931 121.223 -0.009 0.000 2.397 563 L HA 0.338 4.593 4.340 -0.143 0.000 0.271 563 L C -0.933 175.931 176.870 -0.010 0.000 1.148 563 L CA -1.528 53.299 54.840 -0.022 0.000 0.825 563 L CB -0.096 41.954 42.059 -0.014 0.000 1.117 563 L HN 0.575 nan 8.230 nan 0.000 0.456 564 P HA -0.023 nan 4.420 nan 0.000 0.227 564 P C 0.245 177.536 177.300 -0.017 0.000 1.161 564 P CA 0.626 63.714 63.100 -0.021 0.000 0.788 564 P CB 0.510 32.189 31.700 -0.035 0.000 0.822 565 T N -0.391 114.151 114.554 -0.019 0.000 2.956 565 T HA 0.465 4.730 4.350 -0.143 0.000 0.312 565 T C 0.295 175.006 174.700 0.018 0.000 1.151 565 T CA -0.779 61.316 62.100 -0.008 0.000 1.024 565 T CB 0.911 69.761 68.868 -0.030 0.000 1.140 565 T HN -0.023 nan 8.240 nan 0.000 0.473 566 I N 1.783 122.375 120.570 0.037 0.000 3.904 566 I HA 0.674 4.759 4.170 -0.143 0.000 0.333 566 I C 0.851 177.006 176.117 0.063 0.000 1.361 566 I CA -0.752 60.590 61.300 0.070 0.000 1.116 566 I CB -0.241 37.806 38.000 0.079 0.000 1.028 566 I HN 0.542 nan 8.210 nan 0.000 0.398 567 A N 1.866 124.707 122.820 0.034 0.000 2.462 567 A HA 0.361 4.595 4.320 -0.143 0.000 0.243 567 A C 1.514 179.121 177.584 0.038 0.000 1.076 567 A CA 0.862 52.914 52.037 0.025 0.000 0.773 567 A CB -0.226 18.773 19.000 -0.002 0.000 1.010 567 A HN 1.031 nan 8.150 nan 0.000 0.493 568 T N -0.778 113.802 114.554 0.043 0.000 6.974 568 T HA -0.194 4.070 4.350 -0.143 0.000 0.287 568 T C 0.050 174.802 174.700 0.087 0.000 2.146 568 T CA 1.361 63.493 62.100 0.052 0.000 3.451 568 T CB -2.620 66.266 68.868 0.032 0.000 1.630 568 T HN 0.812 nan 8.240 nan 0.000 1.173 569 L N 1.022 122.311 121.223 0.111 0.000 2.439 569 L HA 0.506 4.760 4.340 -0.143 0.000 0.269 569 L C 1.194 178.156 176.870 0.153 0.000 1.179 569 L CA -0.516 54.416 54.840 0.153 0.000 0.828 569 L CB 0.438 42.604 42.059 0.178 0.000 1.106 569 L HN 0.230 nan 8.230 nan 0.000 0.467 570 R N 1.560 122.178 120.500 0.197 0.000 2.407 570 R HA 0.611 4.865 4.340 -0.143 0.000 0.303 570 R C -1.191 175.275 176.300 0.276 0.000 0.981 570 R CA -0.574 55.678 56.100 0.254 0.000 0.905 570 R CB 1.859 32.343 30.300 0.307 0.000 1.099 570 R HN 0.303 nan 8.270 nan 0.000 0.459 571 V N 1.585 121.622 119.914 0.205 0.000 2.531 571 V HA 0.493 4.527 4.120 -0.143 0.000 0.301 571 V C 0.151 176.085 176.094 -0.267 0.000 1.034 571 V CA -0.959 61.360 62.300 0.032 0.000 0.865 571 V CB 2.078 33.906 31.823 0.009 0.000 0.995 571 V HN 0.947 nan 8.190 nan 0.000 0.424 572 G N 3.152 111.542 108.800 -0.685 0.000 2.377 572 G HA2 0.523 4.397 3.960 -0.143 0.000 0.316 572 G HA3 0.523 4.397 3.960 -0.143 0.000 0.316 572 G C -0.643 173.947 174.900 -0.516 0.000 1.115 572 G CA -0.326 44.030 45.100 -1.240 0.000 0.952 572 G HN 0.555 nan 8.290 nan 0.000 0.441 573 V N 4.888 124.588 119.914 -0.356 0.000 2.320 573 V HA 0.178 4.213 4.120 -0.143 0.000 0.265 573 V C 0.476 176.473 176.094 -0.163 0.000 1.048 573 V CA -0.456 61.731 62.300 -0.187 0.000 0.865 573 V CB 0.646 32.392 31.823 -0.127 0.000 1.043 573 V HN 0.564 nan 8.190 nan 0.000 0.474 574 L N 4.694 125.867 121.223 -0.084 0.000 2.407 574 L HA 0.363 4.618 4.340 -0.143 0.000 0.282 574 L C 0.624 177.524 176.870 0.051 0.000 1.110 574 L CA 0.725 55.568 54.840 0.003 0.000 0.863 574 L CB 0.627 42.794 42.059 0.179 0.000 1.207 574 L HN 0.679 nan 8.230 nan 0.000 0.454 575 S N 1.970 117.664 115.700 -0.011 0.000 2.806 575 S HA 0.712 5.096 4.470 -0.143 0.000 0.315 575 S C -0.523 174.113 174.600 0.061 0.000 1.127 575 S CA -0.396 57.813 58.200 0.015 0.000 0.918 575 S CB 2.281 65.454 63.200 -0.046 0.000 1.240 575 S HN 0.570 nan 8.310 nan 0.000 0.552 576 T N -0.398 114.181 114.554 0.041 0.000 2.900 576 T HA 0.455 4.719 4.350 -0.143 0.000 0.303 576 T C 1.085 175.780 174.700 -0.009 0.000 1.142 576 T CA 0.169 62.303 62.100 0.056 0.000 1.007 576 T CB 1.160 70.082 68.868 0.091 0.000 1.156 576 T HN 0.794 nan 8.240 nan 0.000 0.490 577 T N 0.868 115.399 114.554 -0.038 0.000 2.951 577 T HA 0.176 4.440 4.350 -0.143 0.000 0.268 577 T C 0.533 175.236 174.700 0.005 0.000 1.073 577 T CA 0.632 62.678 62.100 -0.090 0.000 1.134 577 T CB -0.222 68.513 68.868 -0.222 0.000 0.884 577 T HN 0.545 nan 8.240 nan 0.000 0.479 578 K N 1.646 122.073 120.400 0.045 0.000 2.258 578 K HA 0.500 4.734 4.320 -0.143 0.000 0.284 578 K C 0.722 177.346 176.600 0.040 0.000 1.051 578 K CA 0.007 56.327 56.287 0.056 0.000 0.923 578 K CB 1.075 33.618 32.500 0.071 0.000 1.046 578 K HN 0.360 nan 8.250 nan 0.000 0.474 579 G N 1.960 110.780 108.800 0.034 0.000 2.203 579 G HA2 -0.174 3.701 3.960 -0.143 0.000 0.231 579 G HA3 -0.174 3.701 3.960 -0.143 0.000 0.231 579 G C 0.644 175.556 174.900 0.019 0.000 1.058 579 G CA 0.053 45.169 45.100 0.027 0.000 0.781 579 G HN 1.076 nan 8.290 nan 0.000 0.496 580 G N -0.934 107.875 108.800 0.015 0.000 2.258 580 G HA2 -0.075 3.799 3.960 -0.143 0.000 0.274 580 G HA3 -0.075 3.799 3.960 -0.143 0.000 0.274 580 G C 1.352 176.254 174.900 0.005 0.000 1.021 580 G CA 1.665 46.770 45.100 0.008 0.000 0.798 580 G HN 2.040 nan 8.290 nan 0.000 0.507 581 S N -1.386 114.317 115.700 0.006 0.000 2.446 581 S HA 0.121 4.505 4.470 -0.143 0.000 0.225 581 S C 2.225 176.820 174.600 -0.007 0.000 1.016 581 S CA 1.338 59.541 58.200 0.005 0.000 0.943 581 S CB -0.079 63.132 63.200 0.018 0.000 0.786 581 S HN 0.661 nan 8.310 nan 0.000 0.508 582 L N 1.629 122.841 121.223 -0.017 0.000 2.291 582 L HA 0.124 4.379 4.340 -0.143 0.000 0.214 582 L C 1.573 178.428 176.870 -0.025 0.000 1.120 582 L CA 1.518 56.338 54.840 -0.032 0.000 0.799 582 L CB -0.555 41.473 42.059 -0.051 0.000 0.925 582 L HN 0.154 nan 8.230 nan 0.000 0.446 583 D N -0.069 120.322 120.400 -0.015 0.000 2.117 583 D HA -0.174 4.381 4.640 -0.143 0.000 0.198 583 D C 1.993 178.287 176.300 -0.011 0.000 0.982 583 D CA 1.470 55.463 54.000 -0.011 0.000 0.828 583 D CB 0.101 40.898 40.800 -0.005 0.000 0.967 583 D HN 0.489 nan 8.370 nan 0.000 0.464 584 K N -0.193 120.201 120.400 -0.010 0.000 2.400 584 K HA 0.307 4.542 4.320 -0.143 0.000 0.194 584 K C 1.839 178.430 176.600 -0.015 0.000 1.033 584 K CA 0.610 56.891 56.287 -0.010 0.000 1.021 584 K CB 0.349 32.844 32.500 -0.008 0.000 0.808 584 K HN -0.038 nan 8.250 nan 0.000 0.505 585 A N 2.438 125.247 122.820 -0.019 0.000 1.968 585 A HA -0.134 4.100 4.320 -0.143 0.000 0.217 585 A C 2.162 179.728 177.584 -0.029 0.000 1.169 585 A CA 1.525 53.546 52.037 -0.027 0.000 0.638 585 A CB -0.274 18.705 19.000 -0.035 0.000 0.812 585 A HN 0.312 nan 8.150 nan 0.000 0.446 586 K N 0.367 120.752 120.400 -0.025 0.000 2.155 586 K HA 0.134 4.368 4.320 -0.143 0.000 0.203 586 K C 1.846 178.437 176.600 -0.015 0.000 1.052 586 K CA 1.533 57.807 56.287 -0.020 0.000 0.948 586 K CB -0.448 32.042 32.500 -0.017 0.000 0.728 586 K HN 0.241 nan 8.250 nan 0.000 0.448 587 A N 0.762 123.574 122.820 -0.013 0.000 1.898 587 A HA -0.046 4.189 4.320 -0.143 0.000 0.216 587 A C 2.074 179.650 177.584 -0.012 0.000 1.181 587 A CA 1.385 53.416 52.037 -0.010 0.000 0.620 587 A CB -0.691 18.304 19.000 -0.009 0.000 0.819 587 A HN 0.370 nan 8.150 nan 0.000 0.442 588 L N 0.235 121.449 121.223 -0.016 0.000 2.046 588 L HA -0.127 4.127 4.340 -0.143 0.000 0.208 588 L C 2.298 179.157 176.870 -0.018 0.000 1.077 588 L CA 2.684 57.513 54.840 -0.018 0.000 0.747 588 L CB -0.597 41.449 42.059 -0.022 0.000 0.896 588 L HN 0.491 nan 8.230 nan 0.000 0.432 589 K N -0.461 119.927 120.400 -0.020 0.000 2.026 589 K HA -0.265 3.969 4.320 -0.143 0.000 0.208 589 K C 2.160 178.755 176.600 -0.008 0.000 1.048 589 K CA 1.882 58.159 56.287 -0.017 0.000 0.929 589 K CB -0.312 32.176 32.500 -0.020 0.000 0.713 589 K HN 0.517 nan 8.250 nan 0.000 0.439 590 E N -0.137 120.059 120.200 -0.007 0.000 2.110 590 E HA -0.253 4.011 4.350 -0.143 0.000 0.193 590 E C 2.075 178.674 176.600 -0.002 0.000 0.988 590 E CA 1.193 57.592 56.400 -0.003 0.000 0.804 590 E CB 0.101 29.799 29.700 -0.004 0.000 0.745 590 E HN 0.254 nan 8.360 nan 0.000 0.458 591 Q N 0.301 120.098 119.800 -0.005 0.000 2.137 591 Q HA -0.002 4.252 4.340 -0.143 0.000 0.198 591 Q C 2.132 178.130 176.000 -0.003 0.000 0.960 591 Q CA 0.943 56.743 55.803 -0.005 0.000 0.847 591 Q CB -0.074 28.660 28.738 -0.008 0.000 0.915 591 Q HN 0.345 nan 8.270 nan 0.000 0.448 592 L N 0.044 121.265 121.223 -0.004 0.000 2.141 592 L HA -0.133 4.121 4.340 -0.143 0.000 0.209 592 L C 2.025 178.900 176.870 0.009 0.000 1.094 592 L CA 1.102 55.943 54.840 0.001 0.000 0.763 592 L CB -0.270 41.789 42.059 -0.000 0.000 0.908 592 L HN 0.247 nan 8.230 nan 0.000 0.437 593 E N 0.096 120.301 120.200 0.009 0.000 2.204 593 E HA -0.216 4.048 4.350 -0.143 0.000 0.194 593 E C 2.065 178.672 176.600 0.011 0.000 0.989 593 E CA 0.799 57.207 56.400 0.013 0.000 0.824 593 E CB 0.086 29.793 29.700 0.013 0.000 0.756 593 E HN 0.387 nan 8.360 nan 0.000 0.477 594 K N 0.622 121.026 120.400 0.007 0.000 2.147 594 K HA -0.156 4.078 4.320 -0.143 0.000 0.205 594 K C 1.650 178.254 176.600 0.006 0.000 1.049 594 K CA 1.296 57.586 56.287 0.005 0.000 0.936 594 K CB 0.045 32.546 32.500 0.002 0.000 0.722 594 K HN -0.039 nan 8.250 nan 0.000 0.446 595 D N -1.172 119.232 120.400 0.007 0.000 2.347 595 D HA -0.014 4.540 4.640 -0.143 0.000 0.215 595 D C 0.612 176.920 176.300 0.013 0.000 0.976 595 D CA 1.038 55.043 54.000 0.009 0.000 0.884 595 D CB 0.430 41.234 40.800 0.008 0.000 0.915 595 D HN 0.337 nan 8.370 nan 0.000 0.526 596 G N -0.277 108.533 108.800 0.016 0.000 2.141 596 G HA2 -0.181 3.694 3.960 -0.143 0.000 0.164 596 G HA3 -0.181 3.694 3.960 -0.143 0.000 0.164 596 G C -0.068 174.850 174.900 0.030 0.000 1.009 596 G CA -0.079 45.032 45.100 0.019 0.000 0.677 596 G HN 0.267 nan 8.290 nan 0.000 0.508 597 L N 0.163 121.407 121.223 0.034 0.000 2.343 597 L HA 0.561 4.816 4.340 -0.143 0.000 0.275 597 L C 0.767 177.669 176.870 0.053 0.000 1.056 597 L CA -0.885 53.985 54.840 0.050 0.000 0.804 597 L CB 1.548 43.637 42.059 0.049 0.000 1.203 597 L HN 0.084 nan 8.230 nan 0.000 0.440 598 K N 2.208 122.652 120.400 0.074 0.000 2.267 598 K HA 0.465 4.699 4.320 -0.143 0.000 0.282 598 K C -1.262 175.399 176.600 0.101 0.000 1.078 598 K CA -0.416 55.921 56.287 0.082 0.000 0.903 598 K CB 0.897 33.453 32.500 0.092 0.000 1.111 598 K HN 0.350 nan 8.250 nan 0.000 0.475 599 V N 3.238 123.195 119.914 0.072 0.000 2.581 599 V HA 0.382 4.416 4.120 -0.143 0.000 0.303 599 V C -0.361 175.765 176.094 0.054 0.000 1.041 599 V CA -0.737 61.591 62.300 0.047 0.000 0.907 599 V CB 1.994 33.822 31.823 0.009 0.000 0.994 599 V HN 0.780 nan 8.190 nan 0.000 0.442 600 T N 3.179 117.748 114.554 0.026 0.000 2.906 600 T HA 0.397 4.661 4.350 -0.143 0.000 0.302 600 T C -0.443 174.205 174.700 -0.087 0.000 1.002 600 T CA -0.369 61.755 62.100 0.038 0.000 0.988 600 T CB 1.400 70.415 68.868 0.246 0.000 0.972 600 T HN 0.335 nan 8.240 nan 0.000 0.447 601 V N 5.433 125.302 119.914 -0.074 0.000 2.455 601 V HA 0.291 4.326 4.120 -0.143 0.000 0.273 601 V C 0.161 176.157 176.094 -0.164 0.000 1.045 601 V CA -0.619 61.609 62.300 -0.119 0.000 0.976 601 V CB 0.237 32.007 31.823 -0.088 0.000 0.993 601 V HN 0.683 nan 8.190 nan 0.000 0.475 602 I N 4.402 124.819 120.570 -0.255 0.000 2.392 602 I HA 0.822 4.907 4.170 -0.143 0.000 0.295 602 I C 0.396 176.188 176.117 -0.543 0.000 0.985 602 I CA -0.103 60.934 61.300 -0.438 0.000 1.221 602 I CB 1.127 38.769 38.000 -0.597 0.000 1.366 602 I HN 0.737 nan 8.210 nan 0.000 0.467 603 A N 4.821 127.293 122.820 -0.580 0.000 2.533 603 A HA 0.638 4.873 4.320 -0.143 0.000 0.293 603 A C 0.502 177.978 177.584 -0.179 0.000 1.228 603 A CA -0.342 51.479 52.037 -0.361 0.000 0.689 603 A CB 0.840 19.689 19.000 -0.251 0.000 1.303 603 A HN 0.564 nan 8.150 nan 0.000 0.444 604 E N -0.970 119.288 120.200 0.097 0.000 2.072 604 E HA 0.065 4.329 4.350 -0.143 0.000 0.191 604 E C -0.019 176.769 176.600 0.314 0.000 0.985 604 E CA 2.357 58.972 56.400 0.358 0.000 0.801 604 E CB -0.195 29.757 29.700 0.421 0.000 0.750 604 E HN 0.589 nan 8.360 nan 0.000 0.452 605 Y N -3.313 117.053 120.300 0.111 0.000 2.638 605 Y HA 0.518 4.982 4.550 -0.143 0.000 0.339 605 Y C -0.753 175.167 175.900 0.033 0.000 1.084 605 Y CA -1.616 56.527 58.100 0.071 0.000 1.068 605 Y CB 0.465 38.966 38.460 0.068 0.000 1.294 605 Y HN -0.319 nan 8.280 nan 0.000 0.480 606 L N 2.812 124.157 121.223 0.204 0.000 2.388 606 L HA 0.427 4.681 4.340 -0.143 0.000 0.252 606 L C 0.661 177.597 176.870 0.109 0.000 1.357 606 L CA 0.360 55.255 54.840 0.091 0.000 1.214 606 L CB -1.504 40.612 42.059 0.094 0.000 1.392 606 L HN 0.821 nan 8.230 nan 0.000 0.432 607 A N 0.566 123.353 122.820 -0.056 0.000 2.250 607 A HA 0.425 4.660 4.320 -0.143 0.000 0.283 607 A C 0.663 178.241 177.584 -0.010 0.000 1.206 607 A CA -0.393 51.630 52.037 -0.023 0.000 0.840 607 A CB 0.231 19.092 19.000 -0.231 0.000 1.220 607 A HN 0.364 nan 8.150 nan 0.000 0.505 608 S N -0.854 114.850 115.700 0.006 0.000 2.457 608 S HA 0.425 4.810 4.470 -0.143 0.000 0.294 608 S C 1.124 175.712 174.600 -0.019 0.000 1.201 608 S CA 0.951 59.154 58.200 0.004 0.000 1.112 608 S CB -0.837 62.372 63.200 0.015 0.000 1.018 608 S HN 2.293 nan 8.310 nan 0.000 0.511 609 G N 3.227 112.015 108.800 -0.019 0.000 2.253 609 G HA2 -0.213 3.661 3.960 -0.143 0.000 0.209 609 G HA3 -0.213 3.661 3.960 -0.143 0.000 0.209 609 G C -0.019 174.854 174.900 -0.044 0.000 0.997 609 G CA -0.128 44.955 45.100 -0.028 0.000 0.640 609 G HN 0.892 nan 8.290 nan 0.000 0.496 610 V N 2.462 122.340 119.914 -0.059 0.000 2.455 610 V HA 0.322 4.357 4.120 -0.143 0.000 0.273 610 V C 0.944 177.011 176.094 -0.044 0.000 1.045 610 V CA 0.305 62.557 62.300 -0.080 0.000 0.976 610 V CB 1.476 33.225 31.823 -0.123 0.000 0.993 610 V HN 0.268 nan 8.190 nan 0.000 0.475 611 D N 2.776 123.152 120.400 -0.040 0.000 2.216 611 D HA 0.033 4.587 4.640 -0.143 0.000 0.208 611 D C 0.756 177.057 176.300 0.001 0.000 0.960 611 D CA 0.876 54.872 54.000 -0.006 0.000 0.861 611 D CB 0.765 41.573 40.800 0.012 0.000 0.985 611 D HN 0.640 nan 8.370 nan 0.000 0.493 612 Q N 0.274 120.059 119.800 -0.025 0.000 2.377 612 Q HA 0.273 4.528 4.340 -0.143 0.000 0.279 612 Q C -1.025 174.928 176.000 -0.078 0.000 1.049 612 Q CA -0.538 55.256 55.803 -0.015 0.000 0.825 612 Q CB 2.189 30.949 28.738 0.036 0.000 1.401 612 Q HN 0.060 nan 8.270 nan 0.000 0.404 613 T N -0.763 113.772 114.554 -0.032 0.000 2.849 613 T HA 0.230 4.494 4.350 -0.143 0.000 0.284 613 T C 0.737 175.397 174.700 -0.067 0.000 1.004 613 T CA -0.209 61.872 62.100 -0.031 0.000 1.021 613 T CB 0.363 69.284 68.868 0.088 0.000 1.013 613 T HN 0.609 nan 8.240 nan 0.000 0.527 614 Y N 0.100 120.387 120.300 -0.023 0.000 2.274 614 Y HA -0.094 4.371 4.550 -0.143 0.000 0.290 614 Y C 3.242 179.143 175.900 0.002 0.000 1.145 614 Y CA 1.454 59.484 58.100 -0.117 0.000 1.203 614 Y CB -0.260 37.914 38.460 -0.477 0.000 0.984 614 Y HN 0.753 nan 8.280 nan 0.000 0.533 615 S N -0.141 115.706 115.700 0.245 0.000 2.383 615 S HA -0.200 4.185 4.470 -0.143 0.000 0.229 615 S C 1.983 176.657 174.600 0.123 0.000 1.030 615 S CA 1.192 59.509 58.200 0.196 0.000 1.002 615 S CB -0.373 62.936 63.200 0.183 0.000 0.829 615 S HN 0.421 nan 8.310 nan 0.000 0.467 616 A N -0.084 122.794 122.820 0.096 0.000 2.275 616 A HA 0.727 4.961 4.320 -0.143 0.000 0.212 616 A C 0.695 178.317 177.584 0.063 0.000 1.201 616 A CA 0.354 52.430 52.037 0.066 0.000 0.843 616 A CB -0.306 18.724 19.000 0.051 0.000 0.873 616 A HN 0.597 nan 8.150 nan 0.000 0.492 617 A N -0.253 122.620 122.820 0.088 0.000 2.303 617 A HA 0.632 4.866 4.320 -0.143 0.000 0.317 617 A C -0.739 176.924 177.584 0.133 0.000 1.149 617 A CA -0.337 51.776 52.037 0.126 0.000 0.822 617 A CB 0.667 19.744 19.000 0.128 0.000 1.131 617 A HN 0.287 nan 8.150 nan 0.000 0.493 618 D N -0.296 120.188 120.400 0.141 0.000 2.655 618 D HA 0.565 5.120 4.640 -0.143 0.000 0.229 618 D C 0.665 177.088 176.300 0.206 0.000 1.229 618 D CA 0.205 54.286 54.000 0.135 0.000 0.807 618 D CB 1.757 42.597 40.800 0.067 0.000 1.514 618 D HN 0.477 nan 8.370 nan 0.000 0.444 619 A N 0.743 123.721 122.820 0.264 0.000 1.969 619 A HA -0.073 4.162 4.320 -0.143 0.000 0.218 619 A C 1.889 179.695 177.584 0.370 0.000 1.169 619 A CA 2.198 54.455 52.037 0.366 0.000 0.635 619 A CB -1.023 18.120 19.000 0.237 0.000 0.810 619 A HN 0.703 nan 8.150 nan 0.000 0.445 620 T N -2.423 112.293 114.554 0.269 0.000 2.929 620 T HA 0.110 4.375 4.350 -0.143 0.000 0.271 620 T C 1.531 176.124 174.700 -0.179 0.000 1.085 620 T CA 1.287 63.361 62.100 -0.043 0.000 1.125 620 T CB -0.358 68.359 68.868 -0.253 0.000 0.874 620 T HN 0.560 nan 8.240 nan 0.000 0.494 621 A N 0.030 122.712 122.820 -0.230 0.000 2.278 621 A HA 0.551 4.785 4.320 -0.143 0.000 0.212 621 A C -0.052 177.193 177.584 -0.565 0.000 1.213 621 A CA -0.369 51.450 52.037 -0.363 0.000 0.840 621 A CB -0.433 18.215 19.000 -0.587 0.000 0.866 621 A HN 0.472 nan 8.150 nan 0.000 0.489 622 F N -1.623 118.423 119.950 0.161 0.000 2.599 622 F HA 0.406 4.848 4.527 -0.143 0.000 0.311 622 F C 0.157 176.029 175.800 0.121 0.000 1.076 622 F CA -1.414 56.668 58.000 0.137 0.000 0.937 622 F CB 1.508 40.572 39.000 0.107 0.000 1.282 622 F HN -0.040 nan 8.300 nan 0.000 0.460 623 D N 1.033 121.618 120.400 0.309 0.000 2.354 623 D HA 0.365 4.920 4.640 -0.143 0.000 0.209 623 D C 0.065 176.441 176.300 0.127 0.000 1.015 623 D CA 0.633 54.719 54.000 0.143 0.000 0.867 623 D CB 0.619 41.516 40.800 0.161 0.000 0.933 623 D HN 0.449 nan 8.370 nan 0.000 0.520 624 A N 0.248 123.177 122.820 0.182 0.000 2.513 624 A HA 0.501 4.735 4.320 -0.143 0.000 0.296 624 A C -1.203 176.428 177.584 0.079 0.000 1.052 624 A CA -0.611 51.509 52.037 0.138 0.000 0.714 624 A CB 1.399 20.476 19.000 0.128 0.000 1.279 624 A HN -0.106 nan 8.150 nan 0.000 0.397 625 V N 2.374 122.331 119.914 0.071 0.000 2.370 625 V HA 0.576 4.610 4.120 -0.143 0.000 0.283 625 V C -0.286 175.813 176.094 0.007 0.000 1.023 625 V CA -0.506 61.797 62.300 0.005 0.000 0.857 625 V CB 1.366 33.222 31.823 0.054 0.000 0.985 625 V HN 0.694 nan 8.190 nan 0.000 0.443 626 V N 5.456 125.348 119.914 -0.036 0.000 2.487 626 V HA 0.415 4.449 4.120 -0.143 0.000 0.298 626 V C -0.174 175.914 176.094 -0.010 0.000 1.028 626 V CA -0.711 61.580 62.300 -0.015 0.000 0.860 626 V CB 2.091 33.899 31.823 -0.024 0.000 0.991 626 V HN 0.597 nan 8.190 nan 0.000 0.427 627 V N 4.590 124.504 119.914 -0.001 0.000 2.368 627 V HA 0.580 4.614 4.120 -0.143 0.000 0.266 627 V C 0.839 176.933 176.094 0.001 0.000 1.045 627 V CA -0.341 61.971 62.300 0.021 0.000 0.899 627 V CB 1.130 32.920 31.823 -0.056 0.000 1.006 627 V HN 1.010 nan 8.190 nan 0.000 0.470 628 A N 4.081 126.912 122.820 0.019 0.000 2.386 628 A HA 0.333 4.567 4.320 -0.143 0.000 0.248 628 A C 0.405 177.994 177.584 0.009 0.000 1.082 628 A CA -0.257 51.783 52.037 0.005 0.000 0.789 628 A CB 0.189 19.189 19.000 0.000 0.000 1.025 628 A HN 0.885 nan 8.150 nan 0.000 0.490 629 E N 0.066 120.264 120.200 -0.002 0.000 2.384 629 E HA 0.370 4.635 4.350 -0.143 0.000 0.266 629 E C 1.144 177.750 176.600 0.009 0.000 1.012 629 E CA 0.915 57.313 56.400 -0.004 0.000 0.901 629 E CB 0.129 29.824 29.700 -0.009 0.000 0.967 629 E HN 1.432 nan 8.360 nan 0.000 0.435 630 G N 2.768 111.575 108.800 0.013 0.000 2.176 630 G HA2 -0.308 3.566 3.960 -0.143 0.000 0.253 630 G HA3 -0.308 3.566 3.960 -0.143 0.000 0.253 630 G C 0.517 175.449 174.900 0.054 0.000 0.979 630 G CA 0.276 45.391 45.100 0.026 0.000 0.641 630 G HN 0.744 nan 8.290 nan 0.000 0.530 631 A N -0.381 122.484 122.820 0.076 0.000 2.507 631 A HA 0.631 4.865 4.320 -0.143 0.000 0.270 631 A C 1.486 179.217 177.584 0.245 0.000 1.318 631 A CA 1.186 53.313 52.037 0.150 0.000 0.924 631 A CB -0.048 19.060 19.000 0.180 0.000 1.061 631 A HN 0.439 nan 8.150 nan 0.000 0.516 632 E N 0.560 120.845 120.200 0.143 0.000 2.216 632 E HA -0.165 4.099 4.350 -0.143 0.000 0.192 632 E C 2.067 178.791 176.600 0.208 0.000 0.988 632 E CA 1.142 57.627 56.400 0.143 0.000 0.834 632 E CB -0.251 29.455 29.700 0.010 0.000 0.772 632 E HN 0.783 nan 8.360 nan 0.000 0.479 633 R N 1.060 121.642 120.500 0.137 0.000 2.139 633 R HA -0.131 4.123 4.340 -0.143 0.000 0.243 633 R C 2.024 178.380 176.300 0.094 0.000 1.145 633 R CA 1.726 57.886 56.100 0.100 0.000 0.976 633 R CB -1.050 29.295 30.300 0.075 0.000 0.866 633 R HN 0.310 nan 8.270 nan 0.000 0.449 634 V N -2.715 117.248 119.914 0.081 0.000 3.461 634 V HA 0.094 4.128 4.120 -0.143 0.000 0.267 634 V C 1.177 177.127 176.094 -0.241 0.000 1.186 634 V CA 0.696 62.938 62.300 -0.095 0.000 1.154 634 V CB -0.714 30.927 31.823 -0.303 0.000 0.802 634 V HN 0.138 nan 8.190 nan 0.000 0.474 635 F N 1.465 121.376 119.950 -0.065 0.000 2.746 635 F HA 0.276 4.718 4.527 -0.143 0.000 0.297 635 F C 2.082 177.857 175.800 -0.041 0.000 1.113 635 F CA 0.637 58.597 58.000 -0.067 0.000 1.367 635 F CB 0.170 39.129 39.000 -0.068 0.000 1.111 635 F HN 0.388 nan 8.300 nan 0.000 0.590 636 S N -0.777 115.001 115.700 0.130 0.000 4.041 636 S HA 0.571 4.956 4.470 -0.143 0.000 0.194 636 S C 1.629 176.253 174.600 0.041 0.000 0.942 636 S CA 0.247 58.494 58.200 0.078 0.000 1.642 636 S CB -0.318 62.922 63.200 0.067 0.000 0.665 636 S HN 0.104 nan 8.310 nan 0.000 0.698 637 G N 0.812 109.630 108.800 0.029 0.000 2.618 637 G HA2 0.248 4.122 3.960 -0.143 0.000 0.222 637 G HA3 0.248 4.122 3.960 -0.143 0.000 0.222 637 G C -0.032 174.875 174.900 0.010 0.000 1.520 637 G CA -0.319 44.790 45.100 0.015 0.000 0.930 637 G HN 0.545 nan 8.290 nan 0.000 0.547 638 K N 1.572 121.979 120.400 0.011 0.000 2.262 638 K HA 0.429 4.663 4.320 -0.143 0.000 0.288 638 K C 0.513 177.125 176.600 0.021 0.000 1.090 638 K CA 0.620 56.912 56.287 0.008 0.000 0.918 638 K CB 0.503 33.007 32.500 0.006 0.000 1.139 638 K HN 0.547 nan 8.250 nan 0.000 0.462 639 G N 1.996 110.808 108.800 0.020 0.000 3.006 639 G HA2 -0.212 3.662 3.960 -0.143 0.000 0.195 639 G HA3 -0.212 3.662 3.960 -0.143 0.000 0.195 639 G C 0.749 175.705 174.900 0.092 0.000 1.034 639 G CA 0.051 45.183 45.100 0.053 0.000 0.807 639 G HN 0.553 nan 8.290 nan 0.000 0.469 640 A N 0.686 123.539 122.820 0.055 0.000 2.208 640 A HA 0.549 4.783 4.320 -0.143 0.000 0.209 640 A C 1.657 179.276 177.584 0.057 0.000 1.161 640 A CA 1.552 53.636 52.037 0.077 0.000 0.782 640 A CB -0.621 18.384 19.000 0.008 0.000 0.816 640 A HN 1.112 nan 8.150 nan 0.000 0.477 641 M N -1.152 118.411 119.600 -0.062 0.000 3.080 641 M HA 0.433 4.827 4.480 -0.143 0.000 0.288 641 M C -0.140 175.997 176.300 -0.273 0.000 1.224 641 M CA -0.248 54.958 55.300 -0.157 0.000 0.787 641 M CB 0.508 33.057 32.600 -0.085 0.000 1.368 641 M HN -0.022 nan 8.290 nan 0.000 0.511 642 S N 1.360 116.739 115.700 -0.535 0.000 2.586 642 S HA 0.494 4.879 4.470 -0.143 0.000 0.274 642 S C -1.661 172.594 174.600 -0.575 0.000 1.281 642 S CA -1.092 56.796 58.200 -0.521 0.000 1.035 642 S CB 0.990 63.878 63.200 -0.520 0.000 0.962 642 S HN 0.342 nan 8.310 nan 0.000 0.512 643 P HA 0.091 nan 4.420 nan 0.000 0.233 643 P C 0.997 178.185 177.300 -0.187 0.000 1.167 643 P CA 0.565 63.535 63.100 -0.218 0.000 0.770 643 P CB 0.023 31.650 31.700 -0.122 0.000 0.837 644 L N -1.647 119.457 121.223 -0.199 0.000 2.275 644 L HA -0.004 4.250 4.340 -0.143 0.000 0.215 644 L C 0.860 177.799 176.870 0.115 0.000 1.119 644 L CA 0.778 55.618 54.840 0.002 0.000 0.790 644 L CB -0.544 41.611 42.059 0.160 0.000 0.919 644 L HN 0.035 nan 8.230 nan 0.000 0.443 645 F N -3.685 116.290 119.950 0.041 0.000 2.626 645 F HA 0.706 5.147 4.527 -0.143 0.000 0.311 645 F C -2.880 172.916 175.800 -0.005 0.000 1.088 645 F CA -3.334 54.687 58.000 0.034 0.000 0.949 645 F CB -0.261 38.773 39.000 0.056 0.000 1.322 645 F HN -0.380 nan 8.300 nan 0.000 0.461 646 P HA 0.211 nan 4.420 nan 0.000 0.268 646 P C -0.676 176.706 177.300 0.138 0.000 1.208 646 P CA -0.163 63.002 63.100 0.108 0.000 0.777 646 P CB 0.513 32.274 31.700 0.102 0.000 0.875 647 A N 2.317 125.161 122.820 0.039 0.000 2.522 647 A HA 0.423 4.657 4.320 -0.143 0.000 0.256 647 A C 1.396 179.009 177.584 0.047 0.000 1.086 647 A CA 0.605 52.657 52.037 0.026 0.000 0.763 647 A CB -1.489 17.505 19.000 -0.010 0.000 1.024 647 A HN 0.903 nan 8.150 nan 0.000 0.502 648 G N 2.014 110.848 108.800 0.056 0.000 2.147 648 G HA2 -0.277 3.597 3.960 -0.143 0.000 0.244 648 G HA3 -0.277 3.597 3.960 -0.143 0.000 0.244 648 G C 0.969 175.829 174.900 -0.067 0.000 1.005 648 G CA 0.827 45.918 45.100 -0.015 0.000 0.713 648 G HN 1.060 nan 8.290 nan 0.000 0.515 649 R N 1.018 121.487 120.500 -0.051 0.000 2.066 649 R HA 0.065 4.320 4.340 -0.143 0.000 0.232 649 R C 0.089 176.191 176.300 -0.331 0.000 1.131 649 R CA 1.992 58.013 56.100 -0.132 0.000 0.955 649 R CB -1.175 29.098 30.300 -0.045 0.000 0.851 649 R HN 0.452 nan 8.270 nan 0.000 0.432 650 P HA -0.089 nan 4.420 nan 0.000 0.215 650 P C 1.221 178.143 177.300 -0.629 0.000 1.153 650 P CA 1.586 64.153 63.100 -0.888 0.000 0.853 650 P CB -0.161 30.644 31.700 -1.492 0.000 0.788 651 S N -1.100 114.305 115.700 -0.493 0.000 2.402 651 S HA -0.192 4.192 4.470 -0.143 0.000 0.229 651 S C 2.120 176.709 174.600 -0.019 0.000 1.021 651 S CA 1.168 59.324 58.200 -0.075 0.000 0.974 651 S CB -0.684 62.520 63.200 0.006 0.000 0.800 651 S HN -0.019 nan 8.310 nan 0.000 0.484 652 Q N 1.030 120.782 119.800 -0.079 0.000 2.119 652 Q HA 0.102 4.356 4.340 -0.143 0.000 0.201 652 Q C 1.799 177.754 176.000 -0.075 0.000 0.972 652 Q CA 1.557 57.319 55.803 -0.068 0.000 0.847 652 Q CB -0.414 28.291 28.738 -0.054 0.000 0.903 652 Q HN 0.678 nan 8.270 nan 0.000 0.433 653 I N -0.388 120.161 120.570 -0.035 0.000 2.179 653 I HA -0.250 3.834 4.170 -0.143 0.000 0.242 653 I C 1.948 178.074 176.117 0.016 0.000 1.088 653 I CA 0.759 62.069 61.300 0.017 0.000 1.357 653 I CB -0.251 37.803 38.000 0.090 0.000 1.051 653 I HN 0.268 nan 8.210 nan 0.000 0.409 654 L N 0.182 121.446 121.223 0.068 0.000 2.093 654 L HA -0.146 4.108 4.340 -0.143 0.000 0.208 654 L C 2.462 179.335 176.870 0.005 0.000 1.085 654 L CA 1.995 56.882 54.840 0.078 0.000 0.755 654 L CB -0.721 41.443 42.059 0.175 0.000 0.904 654 L HN 0.155 nan 8.230 nan 0.000 0.435 655 T N -0.659 113.876 114.554 -0.032 0.000 2.708 655 T HA -0.153 4.111 4.350 -0.143 0.000 0.266 655 T C 1.479 176.052 174.700 -0.212 0.000 1.037 655 T CA 1.520 63.575 62.100 -0.075 0.000 1.146 655 T CB -0.326 68.494 68.868 -0.079 0.000 0.865 655 T HN 0.345 nan 8.240 nan 0.000 0.435 656 D N 0.954 121.112 120.400 -0.403 0.000 2.097 656 D HA -0.042 4.512 4.640 -0.143 0.000 0.195 656 D C 2.405 178.174 176.300 -0.885 0.000 0.989 656 D CA 1.334 54.738 54.000 -0.994 0.000 0.827 656 D CB -0.868 39.205 40.800 -1.212 0.000 0.966 656 D HN 0.466 nan 8.370 nan 0.000 0.456 657 G N -0.350 108.261 108.800 -0.315 0.000 2.440 657 G HA2 -0.321 3.553 3.960 -0.143 0.000 0.218 657 G HA3 -0.321 3.553 3.960 -0.143 0.000 0.218 657 G C 1.622 176.542 174.900 0.034 0.000 1.154 657 G CA 0.874 45.971 45.100 -0.004 0.000 0.767 657 G HN 0.323 nan 8.290 nan 0.000 0.552 658 Y N 1.132 121.353 120.300 -0.133 0.000 2.220 658 Y HA 0.064 4.528 4.550 -0.143 0.000 0.291 658 Y C 2.924 178.737 175.900 -0.146 0.000 1.129 658 Y CA 1.514 59.542 58.100 -0.121 0.000 1.161 658 Y CB -0.135 38.238 38.460 -0.144 0.000 0.997 658 Y HN 0.088 nan 8.280 nan 0.000 0.522 659 R N -0.853 119.453 120.500 -0.324 0.000 2.189 659 R HA -0.126 4.128 4.340 -0.143 0.000 0.223 659 R C 1.191 177.383 176.300 -0.180 0.000 1.092 659 R CA 1.353 57.211 56.100 -0.404 0.000 0.989 659 R CB -0.415 29.697 30.300 -0.312 0.000 0.876 659 R HN 0.413 nan 8.270 nan 0.000 0.457 660 W N -0.587 120.679 121.300 -0.057 0.000 3.353 660 W HA 0.403 4.978 4.660 -0.143 0.000 0.304 660 W C 0.839 177.482 176.519 0.207 0.000 1.273 660 W CA 0.436 57.848 57.345 0.112 0.000 1.773 660 W CB -0.351 29.144 29.460 0.058 0.000 1.095 660 W HN 0.292 nan 8.180 nan 0.000 0.676 661 G N 0.998 109.942 108.800 0.241 0.000 2.143 661 G HA2 -0.301 3.573 3.960 -0.143 0.000 0.249 661 G HA3 -0.301 3.573 3.960 -0.143 0.000 0.249 661 G C 0.467 175.553 174.900 0.311 0.000 0.981 661 G CA -0.161 45.121 45.100 0.304 0.000 0.665 661 G HN 0.248 nan 8.290 nan 0.000 0.528 662 K N 1.428 121.959 120.400 0.218 0.000 2.218 662 K HA 0.409 4.643 4.320 -0.143 0.000 0.276 662 K C -2.216 174.524 176.600 0.234 0.000 1.022 662 K CA -1.644 54.758 56.287 0.191 0.000 0.946 662 K CB 1.052 33.645 32.500 0.155 0.000 1.000 662 K HN 0.046 nan 8.250 nan 0.000 0.468 663 P HA -0.057 nan 4.420 nan 0.000 0.260 663 P C -0.338 177.090 177.300 0.213 0.000 1.207 663 P CA -0.059 63.233 63.100 0.320 0.000 0.780 663 P CB 0.278 32.291 31.700 0.522 0.000 0.789 664 V N 1.230 121.209 119.914 0.107 0.000 2.966 664 V HA 0.983 5.018 4.120 -0.143 0.000 0.317 664 V C -0.166 175.983 176.094 0.092 0.000 1.070 664 V CA -1.132 61.217 62.300 0.082 0.000 1.008 664 V CB 1.433 33.279 31.823 0.038 0.000 1.070 664 V HN 0.719 nan 8.190 nan 0.000 0.457 665 A N 1.257 124.114 122.820 0.061 0.000 2.599 665 A HA 1.033 5.267 4.320 -0.143 0.000 0.290 665 A C -0.610 176.968 177.584 -0.009 0.000 1.101 665 A CA -0.406 51.672 52.037 0.069 0.000 0.674 665 A CB 1.426 20.510 19.000 0.139 0.000 1.277 665 A HN 2.633 nan 8.150 nan 0.000 0.419 666 A N 0.266 123.074 122.820 -0.020 0.000 2.513 666 A HA 0.582 4.817 4.320 -0.143 0.000 0.285 666 A C -1.136 176.423 177.584 -0.043 0.000 1.047 666 A CA -0.288 51.712 52.037 -0.061 0.000 0.864 666 A CB 0.595 19.520 19.000 -0.126 0.000 1.373 666 A HN 1.628 nan 8.150 nan 0.000 0.403 667 V N 3.062 122.956 119.914 -0.033 0.000 2.461 667 V HA 0.615 4.649 4.120 -0.143 0.000 0.275 667 V C 1.473 177.549 176.094 -0.029 0.000 1.047 667 V CA 1.254 63.541 62.300 -0.023 0.000 0.955 667 V CB 0.214 32.028 31.823 -0.016 0.000 0.988 667 V HN 2.329 nan 8.190 nan 0.000 0.471 668 G N 5.179 113.964 108.800 -0.025 0.000 2.565 668 G HA2 -0.351 3.524 3.960 -0.143 0.000 0.295 668 G HA3 -0.351 3.524 3.960 -0.143 0.000 0.295 668 G C 1.142 176.020 174.900 -0.037 0.000 1.165 668 G CA 0.812 45.896 45.100 -0.026 0.000 0.977 668 G HN 1.499 nan 8.290 nan 0.000 0.546 669 S N 0.922 116.601 115.700 -0.035 0.000 2.603 669 S HA 0.414 4.799 4.470 -0.143 0.000 0.229 669 S C 2.248 176.810 174.600 -0.064 0.000 0.972 669 S CA 1.257 59.432 58.200 -0.042 0.000 0.935 669 S CB 0.012 63.194 63.200 -0.029 0.000 0.769 669 S HN 1.974 nan 8.310 nan 0.000 0.536 670 A N 2.546 125.323 122.820 -0.071 0.000 2.239 670 A HA 0.017 4.251 4.320 -0.143 0.000 0.209 670 A C 2.118 179.601 177.584 -0.168 0.000 1.171 670 A CA 0.915 52.882 52.037 -0.116 0.000 0.768 670 A CB -0.615 18.329 19.000 -0.092 0.000 0.790 670 A HN 0.799 nan 8.150 nan 0.000 0.478 671 K N 1.002 121.325 120.400 -0.130 0.000 2.362 671 K HA -0.175 4.059 4.320 -0.143 0.000 0.200 671 K C 1.437 177.937 176.600 -0.167 0.000 1.046 671 K CA 1.496 57.698 56.287 -0.142 0.000 0.952 671 K CB -0.311 32.129 32.500 -0.101 0.000 0.753 671 K HN 0.563 nan 8.250 nan 0.000 0.466 672 K N 0.531 120.836 120.400 -0.158 0.000 2.211 672 K HA 0.047 4.282 4.320 -0.143 0.000 0.203 672 K C 2.181 178.641 176.600 -0.233 0.000 1.050 672 K CA 0.998 57.192 56.287 -0.155 0.000 0.945 672 K CB -0.199 32.236 32.500 -0.108 0.000 0.732 672 K HN 0.158 nan 8.250 nan 0.000 0.451 673 A N 2.061 124.657 122.820 -0.373 0.000 1.930 673 A HA -0.030 4.205 4.320 -0.143 0.000 0.217 673 A C 2.182 179.459 177.584 -0.512 0.000 1.175 673 A CA 1.011 52.627 52.037 -0.701 0.000 0.627 673 A CB -0.603 17.642 19.000 -1.258 0.000 0.815 673 A HN 0.256 nan 8.150 nan 0.000 0.443 674 L N -0.784 120.218 121.223 -0.367 0.000 2.093 674 L HA -0.226 4.029 4.340 -0.143 0.000 0.208 674 L C 2.770 179.493 176.870 -0.244 0.000 1.085 674 L CA 1.360 56.024 54.840 -0.293 0.000 0.755 674 L CB -0.566 41.339 42.059 -0.256 0.000 0.904 674 L HN 0.489 nan 8.230 nan 0.000 0.435 675 Q N -0.363 119.315 119.800 -0.203 0.000 2.224 675 Q HA -0.144 4.111 4.340 -0.143 0.000 0.203 675 Q C 2.427 178.350 176.000 -0.130 0.000 0.970 675 Q CA 1.627 57.338 55.803 -0.154 0.000 0.865 675 Q CB -0.144 28.520 28.738 -0.123 0.000 0.922 675 Q HN 0.616 nan 8.270 nan 0.000 0.445 676 S N 1.366 116.986 115.700 -0.133 0.000 2.371 676 S HA -0.117 4.267 4.470 -0.143 0.000 0.224 676 S C 2.068 176.626 174.600 -0.068 0.000 1.029 676 S CA 0.996 59.149 58.200 -0.078 0.000 0.978 676 S CB -0.647 62.529 63.200 -0.040 0.000 0.833 676 S HN 0.569 nan 8.310 nan 0.000 0.466 677 I N -1.739 118.771 120.570 -0.100 0.000 3.111 677 I HA 0.416 4.500 4.170 -0.143 0.000 0.272 677 I C 1.655 177.693 176.117 -0.133 0.000 1.268 677 I CA 0.597 61.838 61.300 -0.098 0.000 1.467 677 I CB -0.764 37.169 38.000 -0.112 0.000 1.087 677 I HN 0.477 nan 8.210 nan 0.000 0.467 678 G N 1.249 109.958 108.800 -0.152 0.000 2.159 678 G HA2 -0.189 3.685 3.960 -0.143 0.000 0.227 678 G HA3 -0.189 3.685 3.960 -0.143 0.000 0.227 678 G C 0.068 174.843 174.900 -0.209 0.000 0.986 678 G CA 0.010 45.022 45.100 -0.146 0.000 0.651 678 G HN 0.279 nan 8.290 nan 0.000 0.523 679 V N 1.539 121.265 119.914 -0.312 0.000 2.432 679 V HA 0.404 4.439 4.120 -0.143 0.000 0.275 679 V C 0.798 176.715 176.094 -0.296 0.000 1.043 679 V CA -0.582 61.457 62.300 -0.436 0.000 0.925 679 V CB 1.464 32.835 31.823 -0.752 0.000 0.985 679 V HN 0.400 nan 8.190 nan 0.000 0.466 680 E N 3.008 123.070 120.200 -0.231 0.000 2.371 680 E HA 0.179 4.443 4.350 -0.143 0.000 0.257 680 E C -0.243 176.250 176.600 -0.178 0.000 1.134 680 E CA -0.348 55.951 56.400 -0.167 0.000 0.919 680 E CB 0.851 30.480 29.700 -0.119 0.000 1.025 680 E HN 0.655 nan 8.360 nan 0.000 0.438 681 E N 1.029 121.144 120.200 -0.142 0.000 2.370 681 E HA 0.034 4.299 4.350 -0.143 0.000 0.194 681 E C -0.056 176.474 176.600 -0.117 0.000 1.057 681 E CA 0.130 56.448 56.400 -0.137 0.000 1.011 681 E CB 0.304 29.939 29.700 -0.108 0.000 1.132 681 E HN 0.256 nan 8.360 nan 0.000 0.450 682 K N 0.470 120.802 120.400 -0.112 0.000 2.325 682 K HA 0.073 4.307 4.320 -0.143 0.000 0.203 682 K C 0.340 176.878 176.600 -0.104 0.000 1.128 682 K CA 0.134 56.368 56.287 -0.088 0.000 0.931 682 K CB 0.115 32.578 32.500 -0.062 0.000 1.125 682 K HN 0.209 nan 8.250 nan 0.000 0.487 683 E N 1.692 121.827 120.200 -0.109 0.000 2.459 683 E HA 0.133 4.397 4.350 -0.143 0.000 0.264 683 E C -0.386 176.102 176.600 -0.187 0.000 1.055 683 E CA -0.252 56.085 56.400 -0.104 0.000 0.957 683 E CB 0.377 30.037 29.700 -0.066 0.000 0.952 683 E HN 0.154 nan 8.360 nan 0.000 0.448 684 A N 2.006 124.729 122.820 -0.161 0.000 2.483 684 A HA 0.423 4.657 4.320 -0.143 0.000 0.238 684 A C 1.381 178.560 177.584 -0.675 0.000 1.070 684 A CA 0.319 52.202 52.037 -0.258 0.000 0.770 684 A CB -0.421 18.571 19.000 -0.014 0.000 1.008 684 A HN 1.304 nan 8.150 nan 0.000 0.497 685 G N 0.131 108.254 108.800 -1.129 0.000 2.179 685 G HA2 -0.149 3.726 3.960 -0.143 0.000 0.260 685 G HA3 -0.149 3.726 3.960 -0.143 0.000 0.260 685 G C 0.103 174.322 174.900 -1.134 0.000 0.977 685 G CA 0.279 44.361 45.100 -1.696 0.000 0.641 685 G HN 1.551 nan 8.290 nan 0.000 0.533 686 V N 0.727 120.033 119.914 -1.014 0.000 2.384 686 V HA 0.643 4.678 4.120 -0.143 0.000 0.287 686 V C -0.608 175.034 176.094 -0.755 0.000 1.020 686 V CA -0.881 61.013 62.300 -0.677 0.000 0.850 686 V CB 1.189 32.792 31.823 -0.368 0.000 0.987 686 V HN 0.266 nan 8.190 nan 0.000 0.436 687 Y N 3.158 123.407 120.300 -0.084 0.000 2.447 687 Y HA 0.748 5.212 4.550 -0.143 0.000 0.325 687 Y C 0.330 176.194 175.900 -0.060 0.000 0.976 687 Y CA -0.591 57.474 58.100 -0.057 0.000 1.280 687 Y CB 1.711 40.152 38.460 -0.031 0.000 1.104 687 Y HN 0.679 nan 8.280 nan 0.000 0.486 688 A N 2.378 125.222 122.820 0.040 0.000 2.331 688 A HA 0.975 5.209 4.320 -0.143 0.000 0.320 688 A C 0.301 177.891 177.584 0.010 0.000 1.138 688 A CA 0.100 52.136 52.037 -0.002 0.000 0.790 688 A CB 0.980 19.948 19.000 -0.053 0.000 1.206 688 A HN 0.997 nan 8.150 nan 0.000 0.470 689 G N -0.121 108.681 108.800 0.003 0.000 2.455 689 G HA2 0.613 4.487 3.960 -0.143 0.000 0.223 689 G HA3 0.613 4.487 3.960 -0.143 0.000 0.223 689 G C -0.073 174.826 174.900 -0.002 0.000 1.226 689 G CA 0.248 45.348 45.100 0.002 0.000 0.948 689 G HN 1.830 nan 8.290 nan 0.000 0.478 690 A N -0.419 122.400 122.820 -0.001 0.000 2.296 690 A HA 0.585 4.820 4.320 -0.143 0.000 0.264 690 A C 1.441 179.023 177.584 -0.005 0.000 1.097 690 A CA 1.114 53.149 52.037 -0.004 0.000 0.811 690 A CB 0.587 19.585 19.000 -0.004 0.000 1.072 690 A HN 0.963 nan 8.150 nan 0.000 0.495 691 Q N -0.180 119.615 119.800 -0.008 0.000 2.084 691 Q HA -0.226 4.028 4.340 -0.143 0.000 0.202 691 Q C 1.412 177.404 176.000 -0.013 0.000 0.978 691 Q CA 2.206 58.003 55.803 -0.010 0.000 0.844 691 Q CB -0.201 28.531 28.738 -0.010 0.000 0.898 691 Q HN 0.940 nan 8.270 nan 0.000 0.426 692 D N -0.591 119.803 120.400 -0.011 0.000 2.144 692 D HA -0.211 4.343 4.640 -0.143 0.000 0.200 692 D C 1.231 177.521 176.300 -0.017 0.000 0.978 692 D CA 1.172 55.165 54.000 -0.013 0.000 0.833 692 D CB -0.224 40.571 40.800 -0.008 0.000 0.961 692 D HN 0.458 nan 8.370 nan 0.000 0.470 693 E N 0.493 120.687 120.200 -0.011 0.000 2.107 693 E HA -0.061 4.203 4.350 -0.143 0.000 0.191 693 E C 2.530 179.116 176.600 -0.024 0.000 0.982 693 E CA 0.417 56.812 56.400 -0.008 0.000 0.809 693 E CB 0.230 29.935 29.700 0.010 0.000 0.756 693 E HN 0.146 nan 8.360 nan 0.000 0.459 694 V N 1.599 121.502 119.914 -0.018 0.000 2.358 694 V HA -0.247 3.788 4.120 -0.143 0.000 0.246 694 V C 2.238 178.280 176.094 -0.088 0.000 1.047 694 V CA 1.447 63.730 62.300 -0.027 0.000 1.035 694 V CB -0.360 31.463 31.823 -0.000 0.000 0.658 694 V HN 0.252 nan 8.190 nan 0.000 0.452 695 I N -0.113 120.419 120.570 -0.063 0.000 2.226 695 I HA -0.275 3.809 4.170 -0.143 0.000 0.245 695 I C 2.575 178.637 176.117 -0.093 0.000 1.100 695 I CA 1.858 63.119 61.300 -0.065 0.000 1.374 695 I CB -0.377 37.601 38.000 -0.038 0.000 1.057 695 I HN 0.264 nan 8.210 nan 0.000 0.413 696 K N 0.986 121.332 120.400 -0.089 0.000 2.097 696 K HA -0.131 4.103 4.320 -0.143 0.000 0.205 696 K C 2.082 178.577 176.600 -0.174 0.000 1.050 696 K CA 1.525 57.758 56.287 -0.091 0.000 0.938 696 K CB -0.270 32.198 32.500 -0.053 0.000 0.718 696 K HN 0.368 nan 8.250 nan 0.000 0.442 697 G N 0.112 108.730 108.800 -0.302 0.000 2.394 697 G HA2 -0.146 3.728 3.960 -0.143 0.000 0.215 697 G HA3 -0.146 3.728 3.960 -0.143 0.000 0.215 697 G C 1.445 175.685 174.900 -1.101 0.000 1.165 697 G CA 0.562 45.221 45.100 -0.736 0.000 0.784 697 G HN 0.173 nan 8.290 nan 0.000 0.535 698 V N 0.777 120.291 119.914 -0.667 0.000 2.343 698 V HA -0.164 3.871 4.120 -0.143 0.000 0.247 698 V C 2.686 178.705 176.094 -0.126 0.000 1.051 698 V CA 2.208 64.315 62.300 -0.322 0.000 1.036 698 V CB -0.460 31.298 31.823 -0.108 0.000 0.654 698 V HN 0.449 nan 8.190 nan 0.000 0.451 699 E N 0.265 120.401 120.200 -0.107 0.000 2.051 699 E HA -0.253 4.011 4.350 -0.143 0.000 0.192 699 E C 2.236 178.839 176.600 0.005 0.000 0.991 699 E CA 1.530 57.915 56.400 -0.025 0.000 0.799 699 E CB -0.165 29.520 29.700 -0.025 0.000 0.748 699 E HN 0.854 nan 8.360 nan 0.000 0.449 700 E N 0.267 120.453 120.200 -0.024 0.000 2.274 700 E HA -0.085 4.180 4.350 -0.143 0.000 0.194 700 E C 2.070 178.739 176.600 0.115 0.000 0.996 700 E CA 1.022 57.442 56.400 0.034 0.000 0.840 700 E CB -0.127 29.588 29.700 0.025 0.000 0.772 700 E HN 0.196 nan 8.360 nan 0.000 0.491 701 G N 1.723 110.606 108.800 0.138 0.000 2.421 701 G HA2 -0.155 3.719 3.960 -0.143 0.000 0.217 701 G HA3 -0.155 3.719 3.960 -0.143 0.000 0.217 701 G C 1.610 176.697 174.900 0.312 0.000 1.143 701 G CA 0.389 45.739 45.100 0.416 0.000 0.784 701 G HN 0.175 nan 8.290 nan 0.000 0.541 702 L N -0.169 121.179 121.223 0.207 0.000 2.201 702 L HA 0.014 4.268 4.340 -0.143 0.000 0.212 702 L C 2.866 179.865 176.870 0.215 0.000 1.105 702 L CA 0.788 55.755 54.840 0.212 0.000 0.775 702 L CB -0.155 42.008 42.059 0.174 0.000 0.913 702 L HN 0.163 nan 8.230 nan 0.000 0.440 703 K N -0.379 120.106 120.400 0.142 0.000 2.057 703 K HA -0.119 4.116 4.320 -0.143 0.000 0.206 703 K C 2.027 178.678 176.600 0.084 0.000 1.050 703 K CA 1.146 57.493 56.287 0.101 0.000 0.935 703 K CB -0.130 32.410 32.500 0.067 0.000 0.715 703 K HN 0.134 nan 8.250 nan 0.000 0.439 704 V N 0.737 120.672 119.914 0.034 0.000 2.427 704 V HA -0.206 3.828 4.120 -0.143 0.000 0.248 704 V C 1.432 177.528 176.094 0.003 0.000 1.051 704 V CA 1.782 64.019 62.300 -0.106 0.000 1.048 704 V CB -0.666 30.877 31.823 -0.467 0.000 0.666 704 V HN 0.390 nan 8.190 nan 0.000 0.456 705 F N -0.550 119.340 119.950 -0.100 0.000 2.544 705 F HA -0.363 4.078 4.527 -0.143 0.000 0.723 705 F C 0.667 176.506 175.800 0.065 0.000 0.486 705 F CA 2.221 60.223 58.000 0.004 0.000 0.738 705 F CB -0.640 38.346 39.000 -0.023 0.000 1.608 705 F HN 0.166 nan 8.300 nan 0.000 0.272 706 K N 0.464 120.951 120.400 0.146 0.000 2.244 706 K HA 0.522 4.756 4.320 -0.143 0.000 0.260 706 K C -1.435 175.222 176.600 0.095 0.000 0.951 706 K CA -0.279 56.131 56.287 0.206 0.000 0.826 706 K CB 0.921 33.699 32.500 0.464 0.000 1.108 706 K HN 0.086 nan 8.250 nan 0.000 0.433 707 F N 4.558 124.665 119.950 0.262 0.000 2.350 707 F HA 0.225 4.667 4.527 -0.143 0.000 0.365 707 F C 0.994 176.976 175.800 0.304 0.000 1.122 707 F CA -0.430 57.703 58.000 0.222 0.000 1.139 707 F CB 0.471 39.549 39.000 0.130 0.000 1.220 707 F HN 0.378 nan 8.300 nan 0.000 0.499 708 L N 2.817 124.266 121.223 0.376 0.000 2.478 708 L HA -0.082 4.172 4.340 -0.143 0.000 0.223 708 L C 2.229 179.298 176.870 0.331 0.000 1.140 708 L CA 0.463 55.524 54.840 0.368 0.000 0.842 708 L CB -0.320 41.822 42.059 0.139 0.000 0.953 708 L HN 0.587 nan 8.230 nan 0.000 0.452 709 E N 0.830 121.177 120.200 0.245 0.000 2.418 709 E HA -0.196 4.068 4.350 -0.143 0.000 0.197 709 E C 1.553 178.193 176.600 0.067 0.000 1.026 709 E CA 0.657 57.140 56.400 0.138 0.000 0.862 709 E CB -0.152 29.620 29.700 0.120 0.000 0.799 709 E HN 0.529 nan 8.360 nan 0.000 0.518 710 R N -0.055 120.454 120.500 0.014 0.000 2.297 710 R HA 0.185 4.439 4.340 -0.143 0.000 0.197 710 R C -0.141 175.917 176.300 -0.403 0.000 0.943 710 R CA 0.094 56.030 56.100 -0.273 0.000 1.038 710 R CB 0.065 30.024 30.300 -0.567 0.000 0.957 710 R HN 0.032 nan 8.270 nan 0.000 0.484 711 F N 0.755 120.702 119.950 -0.005 0.000 2.427 711 F HA 0.419 4.860 4.527 -0.143 0.000 0.346 711 F C 0.513 176.288 175.800 -0.041 0.000 1.120 711 F CA -1.282 56.717 58.000 -0.000 0.000 1.033 711 F CB 1.170 40.185 39.000 0.025 0.000 1.126 711 F HN -0.096 nan 8.300 nan 0.000 0.462 712 A N 3.190 126.080 122.820 0.118 0.000 2.425 712 A HA 0.613 4.848 4.320 -0.143 0.000 0.249 712 A C -0.352 177.250 177.584 0.030 0.000 1.084 712 A CA -0.423 51.647 52.037 0.054 0.000 0.781 712 A CB 0.263 19.289 19.000 0.043 0.000 1.019 712 A HN 0.575 nan 8.150 nan 0.000 0.490 713 V N 2.172 122.086 119.914 -0.000 0.000 2.732 713 V HA 0.228 4.263 4.120 -0.143 0.000 0.310 713 V C -0.083 176.007 176.094 -0.006 0.000 1.053 713 V CA -0.980 61.304 62.300 -0.026 0.000 0.957 713 V CB 1.658 33.454 31.823 -0.045 0.000 1.018 713 V HN 0.873 nan 8.190 nan 0.000 0.452 714 D N 2.638 123.035 120.400 -0.005 0.000 2.417 714 D HA 0.396 4.950 4.640 -0.143 0.000 0.250 714 D C 0.821 177.123 176.300 0.003 0.000 1.166 714 D CA 1.569 55.572 54.000 0.006 0.000 0.881 714 D CB 1.050 41.857 40.800 0.012 0.000 1.164 714 D HN 1.085 nan 8.370 nan 0.000 0.467 715 G N 2.887 111.691 108.800 0.006 0.000 2.956 715 G HA2 -0.120 3.755 3.960 -0.143 0.000 0.263 715 G HA3 -0.120 3.755 3.960 -0.143 0.000 0.263 715 G C -0.318 174.584 174.900 0.003 0.000 1.090 715 G CA -0.249 44.854 45.100 0.004 0.000 1.185 715 G HN 0.637 nan 8.290 nan 0.000 0.566 716 D N 0.000 120.403 120.400 0.005 0.000 6.856 716 D HA 0.000 4.554 4.640 -0.143 0.000 0.175 716 D CA 0.000 54.003 54.000 0.005 0.000 0.868 716 D CB 0.000 40.802 40.800 0.004 0.000 0.688 716 D HN 0.000 nan 8.370 nan 0.000 0.683