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 1s3s_1_F DATA FIRST_RESID 18 DATA SEQUENCE KQKNRPNRLI VDEAINEDNS VVSLSQPKMD ELQLFRGDTV LLKGKKRREA DATA SEQUENCE VCIVLSDDTC SDEKIRMNRV VRNNLRVRLG DVISIQPCPD VKYGKRIHVL DATA SEQUENCE PIDDTVEGIT GNLFEVYLKP YFLEAYRPIR KGDIFLVRGG MRAVEFKVVE DATA SEQUENCE TDPSPYCIVA PDTVIHCEGE PIKREDEEES LNEVGYDDVG GCRKQLAQIK DATA SEQUENCE EMVELPLRHP ALFKAIGVKP PRGILLYGPP GTGKTLIARA VANETGAFFF DATA SEQUENCE LINGPEIMSK LAGESESNLR KAFEEAEKNA PAIIFIDELD AIAPKREKTH DATA SEQUENCE GEVERRIVSQ LLTLMDGLKQ RAHVIVMAAT NRPNSIDPAL RRFGRFDREV DATA SEQUENCE DIGIPDATGR LEILQIHTKN MKLADDVDLE QVANETHGHV GADLAALCSE DATA SEQUENCE AALQAIRKKM DLIDLEDETI DAEVMNSLAV TMDDFRWALS Q 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 18 K HA 0.000 nan 4.320 nan 0.000 0.191 18 K C 0.000 176.596 176.600 -0.006 0.000 0.988 18 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 18 K CB 0.000 32.496 32.500 -0.007 0.000 1.064 19 Q N 0.284 120.081 119.800 -0.006 0.000 2.057 19 Q HA 0.278 4.634 4.340 0.026 0.000 0.279 19 Q C 0.014 176.011 176.000 -0.005 0.000 0.842 19 Q CA 1.210 57.010 55.803 -0.005 0.000 0.524 19 Q CB -2.560 26.175 28.738 -0.005 0.000 0.641 19 Q HN 2.207 nan 8.270 nan 0.000 0.321 20 K N -0.445 119.952 120.400 -0.005 0.000 6.536 20 K HA 0.047 4.383 4.320 0.026 0.000 0.703 20 K C 0.170 176.767 176.600 -0.004 0.000 1.892 20 K CA 2.122 58.406 56.287 -0.004 0.000 1.651 20 K CB -1.830 30.667 32.500 -0.005 0.000 1.852 20 K HN 2.703 nan 8.250 nan 0.000 0.324 21 N N 3.376 122.074 118.700 -0.003 0.000 2.387 21 N HA -0.047 4.709 4.740 0.026 0.000 0.292 21 N C 0.290 175.798 175.510 -0.003 0.000 1.490 21 N CA 0.775 53.824 53.050 -0.002 0.000 2.535 21 N CB -0.475 38.011 38.487 -0.003 0.000 1.631 21 N HN 1.152 nan 8.380 nan 0.000 1.037 22 R N -0.920 119.578 120.500 -0.003 0.000 3.387 22 R HA -0.171 4.184 4.340 0.026 0.000 0.254 22 R C -1.757 174.539 176.300 -0.006 0.000 1.006 22 R CA 0.906 57.004 56.100 -0.004 0.000 0.677 22 R CB -2.654 27.645 30.300 -0.002 0.000 1.063 22 R HN 0.408 nan 8.270 nan 0.000 0.453 23 P HA -0.276 nan 4.420 nan 0.000 0.137 23 P C -0.366 176.927 177.300 -0.012 0.000 1.126 23 P CA 2.481 65.575 63.100 -0.011 0.000 0.666 23 P CB -0.727 30.965 31.700 -0.014 0.000 0.964 24 N N -3.877 114.818 118.700 -0.008 0.000 2.143 24 N HA 0.031 4.786 4.740 0.026 0.000 0.222 24 N C 0.071 175.578 175.510 -0.004 0.000 1.264 24 N CA -0.199 52.846 53.050 -0.009 0.000 0.897 24 N CB 0.344 38.826 38.487 -0.009 0.000 1.092 24 N HN -0.186 nan 8.380 nan 0.000 0.516 25 R N 1.230 121.728 120.500 -0.002 0.000 2.216 25 R HA 0.399 4.754 4.340 0.026 0.000 0.332 25 R C -0.557 175.745 176.300 0.003 0.000 1.056 25 R CA -0.237 55.864 56.100 0.002 0.000 0.901 25 R CB 0.484 30.787 30.300 0.003 0.000 1.039 25 R HN 0.282 nan 8.270 nan 0.000 0.456 26 L N 3.259 124.485 121.223 0.005 0.000 2.333 26 L HA 0.575 4.931 4.340 0.026 0.000 0.263 26 L C 0.001 176.879 176.870 0.013 0.000 1.014 26 L CA -1.293 53.551 54.840 0.007 0.000 0.820 26 L CB 1.763 43.824 42.059 0.004 0.000 1.352 26 L HN 0.227 nan 8.230 nan 0.000 0.421 27 I N 2.051 122.630 120.570 0.016 0.000 2.331 27 I HA 0.164 4.349 4.170 0.026 0.000 0.292 27 I C 0.240 176.370 176.117 0.023 0.000 0.998 27 I CA -0.496 60.818 61.300 0.023 0.000 1.267 27 I CB 1.573 39.590 38.000 0.027 0.000 1.386 27 I HN 0.227 nan 8.210 nan 0.000 0.476 28 V N 6.800 126.729 119.914 0.025 0.000 2.446 28 V HA 0.146 4.281 4.120 0.026 0.000 0.276 28 V C 0.095 176.208 176.094 0.032 0.000 1.030 28 V CA 0.323 62.638 62.300 0.025 0.000 1.033 28 V CB 0.606 32.442 31.823 0.022 0.000 0.993 28 V HN 0.813 nan 8.190 nan 0.000 0.477 29 D N 4.367 124.785 120.400 0.030 0.000 2.442 29 D HA 0.326 4.982 4.640 0.026 0.000 0.254 29 D C -0.099 176.225 176.300 0.040 0.000 1.069 29 D CA -0.531 53.490 54.000 0.035 0.000 1.017 29 D CB 1.950 42.765 40.800 0.024 0.000 1.172 29 D HN 0.710 nan 8.370 nan 0.000 0.561 30 E N -0.324 119.905 120.200 0.048 0.000 2.418 30 E HA 0.338 4.704 4.350 0.026 0.000 0.261 30 E C -0.478 176.143 176.600 0.035 0.000 1.070 30 E CA -0.313 56.120 56.400 0.055 0.000 0.931 30 E CB 0.911 30.650 29.700 0.065 0.000 0.954 30 E HN 0.391 nan 8.360 nan 0.000 0.439 31 A N 2.649 125.489 122.820 0.033 0.000 2.322 31 A HA 0.227 4.562 4.320 0.026 0.000 0.269 31 A C 0.611 178.207 177.584 0.020 0.000 1.094 31 A CA -0.428 51.623 52.037 0.024 0.000 0.807 31 A CB 0.424 19.438 19.000 0.023 0.000 1.047 31 A HN 0.543 nan 8.150 nan 0.000 0.487 32 I N 0.228 120.807 120.570 0.015 0.000 3.445 32 I HA 0.064 4.250 4.170 0.026 0.000 0.288 32 I C 0.674 176.798 176.117 0.011 0.000 1.198 32 I CA 0.611 61.918 61.300 0.011 0.000 1.417 32 I CB -0.747 37.258 38.000 0.008 0.000 1.205 32 I HN 0.642 nan 8.210 nan 0.000 0.448 33 N N 2.751 121.458 118.700 0.012 0.000 2.414 33 N HA 0.030 4.785 4.740 0.026 0.000 0.256 33 N C 0.781 176.301 175.510 0.016 0.000 1.029 33 N CA 0.136 53.193 53.050 0.012 0.000 0.948 33 N CB 1.292 39.785 38.487 0.010 0.000 1.102 33 N HN 0.188 nan 8.380 nan 0.000 0.496 34 E N 0.848 121.059 120.200 0.017 0.000 2.463 34 E HA -0.135 4.231 4.350 0.026 0.000 0.201 34 E C -0.169 176.451 176.600 0.033 0.000 1.045 34 E CA 0.464 56.877 56.400 0.022 0.000 0.872 34 E CB 0.175 29.887 29.700 0.020 0.000 0.797 34 E HN 0.542 nan 8.360 nan 0.000 0.538 35 D N 1.126 121.544 120.400 0.031 0.000 2.383 35 D HA 0.011 4.666 4.640 0.026 0.000 0.252 35 D C 0.465 176.794 176.300 0.049 0.000 1.166 35 D CA 0.112 54.135 54.000 0.039 0.000 0.879 35 D CB 0.596 41.404 40.800 0.015 0.000 1.164 35 D HN 0.043 nan 8.370 nan 0.000 0.462 36 N N 1.089 119.838 118.700 0.082 0.000 2.270 36 N HA -0.111 4.644 4.740 0.026 0.000 0.181 36 N C 1.446 176.997 175.510 0.069 0.000 1.016 36 N CA 0.451 53.554 53.050 0.088 0.000 0.870 36 N CB 0.198 38.771 38.487 0.143 0.000 0.979 36 N HN 0.210 nan 8.380 nan 0.000 0.431 37 S N 0.343 116.073 115.700 0.050 0.000 2.515 37 S HA 0.037 4.522 4.470 0.026 0.000 0.231 37 S C 0.643 175.252 174.600 0.014 0.000 0.987 37 S CA 0.266 58.480 58.200 0.023 0.000 0.936 37 S CB 0.256 63.445 63.200 -0.018 0.000 0.766 37 S HN 0.026 nan 8.310 nan 0.000 0.528 38 V N 2.686 122.609 119.914 0.016 0.000 2.539 38 V HA 0.539 4.674 4.120 0.026 0.000 0.292 38 V C -0.015 176.088 176.094 0.015 0.000 1.045 38 V CA -0.588 61.719 62.300 0.012 0.000 0.945 38 V CB 1.439 33.267 31.823 0.009 0.000 0.993 38 V HN 0.215 nan 8.190 nan 0.000 0.464 39 V N 1.626 121.546 119.914 0.011 0.000 3.007 39 V HA 0.877 5.012 4.120 0.026 0.000 0.311 39 V C -0.463 175.636 176.094 0.008 0.000 1.120 39 V CA -0.432 61.875 62.300 0.011 0.000 0.980 39 V CB 2.200 34.029 31.823 0.008 0.000 1.033 39 V HN 0.728 nan 8.190 nan 0.000 0.429 40 S N 3.595 119.300 115.700 0.008 0.000 2.566 40 S HA 0.906 5.391 4.470 0.026 0.000 0.298 40 S C -0.711 173.890 174.600 0.003 0.000 1.083 40 S CA -0.731 57.473 58.200 0.005 0.000 0.978 40 S CB 1.602 64.805 63.200 0.006 0.000 1.073 40 S HN 0.791 nan 8.310 nan 0.000 0.491 41 L N 1.269 122.492 121.223 -0.000 0.000 2.359 41 L HA 0.614 4.970 4.340 0.026 0.000 0.256 41 L C 0.055 176.922 176.870 -0.004 0.000 1.026 41 L CA -1.004 53.834 54.840 -0.003 0.000 0.828 41 L CB 2.226 44.280 42.059 -0.009 0.000 1.406 41 L HN 0.779 nan 8.230 nan 0.000 0.413 42 S N -0.380 115.317 115.700 -0.006 0.000 2.565 42 S HA 0.116 4.602 4.470 0.026 0.000 0.274 42 S C 0.517 175.111 174.600 -0.011 0.000 1.309 42 S CA -0.374 57.822 58.200 -0.006 0.000 1.043 42 S CB 1.895 65.092 63.200 -0.006 0.000 0.939 42 S HN 0.667 nan 8.310 nan 0.000 0.504 43 Q N 2.859 122.653 119.800 -0.010 0.000 2.045 43 Q HA -0.064 4.292 4.340 0.026 0.000 0.206 43 Q C -0.773 175.215 176.000 -0.020 0.000 0.991 43 Q CA 2.602 58.396 55.803 -0.014 0.000 0.851 43 Q CB -1.573 27.159 28.738 -0.009 0.000 0.911 43 Q HN 0.739 nan 8.270 nan 0.000 0.418 44 P HA -0.204 nan 4.420 nan 0.000 0.224 44 P C 0.647 177.934 177.300 -0.022 0.000 1.142 44 P CA 1.280 64.369 63.100 -0.018 0.000 0.778 44 P CB 0.108 31.801 31.700 -0.013 0.000 0.764 45 K N -0.470 119.916 120.400 -0.022 0.000 2.242 45 K HA 0.181 4.517 4.320 0.026 0.000 0.200 45 K C 2.132 178.710 176.600 -0.036 0.000 1.050 45 K CA 0.579 56.851 56.287 -0.025 0.000 0.981 45 K CB -0.468 32.021 32.500 -0.018 0.000 0.795 45 K HN 0.161 nan 8.250 nan 0.000 0.477 46 M N 0.862 120.437 119.600 -0.041 0.000 2.156 46 M HA -0.139 4.356 4.480 0.026 0.000 0.264 46 M C 1.324 177.572 176.300 -0.088 0.000 1.067 46 M CA 1.425 56.688 55.300 -0.063 0.000 1.131 46 M CB -0.190 32.375 32.600 -0.058 0.000 1.368 46 M HN -0.043 nan 8.290 nan 0.000 0.416 47 D N 0.352 120.708 120.400 -0.072 0.000 2.123 47 D HA -0.205 4.451 4.640 0.026 0.000 0.196 47 D C 1.792 178.049 176.300 -0.072 0.000 0.992 47 D CA 1.318 55.272 54.000 -0.078 0.000 0.833 47 D CB -0.304 40.465 40.800 -0.051 0.000 0.954 47 D HN 0.495 nan 8.370 nan 0.000 0.455 48 E N 0.197 120.365 120.200 -0.054 0.000 2.077 48 E HA -0.105 4.260 4.350 0.026 0.000 0.193 48 E C 1.861 178.428 176.600 -0.054 0.000 0.989 48 E CA 0.533 56.906 56.400 -0.045 0.000 0.800 48 E CB -0.001 29.680 29.700 -0.033 0.000 0.746 48 E HN 0.214 nan 8.360 nan 0.000 0.452 49 L N 0.724 121.910 121.223 -0.062 0.000 2.611 49 L HA 0.078 4.434 4.340 0.026 0.000 0.229 49 L C 0.057 176.864 176.870 -0.105 0.000 1.137 49 L CA 0.072 54.871 54.840 -0.067 0.000 0.901 49 L CB 0.029 42.055 42.059 -0.054 0.000 1.098 49 L HN 0.153 nan 8.230 nan 0.000 0.456 50 Q N 0.783 120.499 119.800 -0.140 0.000 2.431 50 Q HA -0.203 4.153 4.340 0.026 0.000 0.344 50 Q C -0.692 175.093 176.000 -0.358 0.000 1.384 50 Q CA 0.470 56.130 55.803 -0.237 0.000 0.984 50 Q CB -1.489 27.136 28.738 -0.189 0.000 1.204 50 Q HN 0.473 nan 8.270 nan 0.000 0.392 51 L N -0.189 120.840 121.223 -0.323 0.000 2.332 51 L HA 0.672 5.027 4.340 0.026 0.000 0.269 51 L C 0.172 176.807 176.870 -0.390 0.000 1.016 51 L CA -0.969 53.696 54.840 -0.293 0.000 0.809 51 L CB 0.884 42.878 42.059 -0.107 0.000 1.280 51 L HN 0.046 nan 8.230 nan 0.000 0.447 52 F N -0.269 119.679 119.950 -0.004 0.000 2.440 52 F HA 0.422 4.964 4.527 0.026 0.000 0.328 52 F C 1.170 176.964 175.800 -0.009 0.000 1.070 52 F CA -0.885 57.112 58.000 -0.006 0.000 1.011 52 F CB 0.795 39.792 39.000 -0.005 0.000 1.226 52 F HN 0.282 nan 8.300 nan 0.000 0.491 53 R N 1.127 121.748 120.500 0.202 0.000 2.425 53 R HA -0.009 4.346 4.340 0.026 0.000 0.206 53 R C 0.864 177.208 176.300 0.073 0.000 1.117 53 R CA 0.742 56.901 56.100 0.098 0.000 1.098 53 R CB -1.297 29.046 30.300 0.073 0.000 0.843 53 R HN 0.930 nan 8.270 nan 0.000 0.480 54 G N -0.838 108.021 108.800 0.098 0.000 3.912 54 G HA2 -0.103 3.872 3.960 0.026 0.000 0.203 54 G HA3 -0.103 3.872 3.960 0.026 0.000 0.203 54 G C -0.272 174.670 174.900 0.070 0.000 1.112 54 G CA -0.478 44.652 45.100 0.051 0.000 0.871 54 G HN 0.116 nan 8.290 nan 0.000 0.549 55 D N 2.553 123.036 120.400 0.139 0.000 2.548 55 D HA 0.146 4.801 4.640 0.026 0.000 0.231 55 D C 0.680 177.028 176.300 0.079 0.000 1.142 55 D CA 1.030 55.125 54.000 0.157 0.000 0.866 55 D CB 1.087 42.011 40.800 0.206 0.000 1.190 55 D HN 0.249 nan 8.370 nan 0.000 0.469 56 T N 0.416 115.009 114.554 0.066 0.000 2.744 56 T HA 0.502 4.868 4.350 0.026 0.000 0.291 56 T C 0.348 175.052 174.700 0.006 0.000 0.957 56 T CA -0.945 61.173 62.100 0.029 0.000 1.002 56 T CB 0.870 69.755 68.868 0.028 0.000 0.919 56 T HN 0.214 nan 8.240 nan 0.000 0.468 57 V N 1.927 121.832 119.914 -0.015 0.000 2.975 57 V HA 0.845 4.981 4.120 0.026 0.000 0.318 57 V C -0.511 175.535 176.094 -0.080 0.000 1.077 57 V CA -1.350 60.928 62.300 -0.036 0.000 1.000 57 V CB 1.453 33.263 31.823 -0.021 0.000 1.066 57 V HN 0.834 nan 8.190 nan 0.000 0.452 58 L N 3.152 124.319 121.223 -0.094 0.000 2.325 58 L HA 0.662 5.017 4.340 0.026 0.000 0.281 58 L C -0.747 176.080 176.870 -0.071 0.000 1.004 58 L CA -0.228 54.533 54.840 -0.131 0.000 0.823 58 L CB 1.075 43.020 42.059 -0.189 0.000 1.236 58 L HN 0.748 nan 8.230 nan 0.000 0.415 59 L N 5.028 126.218 121.223 -0.054 0.000 2.317 59 L HA 0.567 4.923 4.340 0.026 0.000 0.281 59 L C -0.264 176.597 176.870 -0.016 0.000 1.024 59 L CA -0.698 54.126 54.840 -0.026 0.000 0.810 59 L CB 1.517 43.568 42.059 -0.014 0.000 1.240 59 L HN 0.523 nan 8.230 nan 0.000 0.427 60 K N 1.520 121.916 120.400 -0.006 0.000 2.323 60 K HA 0.613 4.948 4.320 0.026 0.000 0.259 60 K C 0.019 176.625 176.600 0.009 0.000 0.947 60 K CA -0.452 55.837 56.287 0.004 0.000 0.819 60 K CB 2.350 34.853 32.500 0.005 0.000 1.109 60 K HN 0.759 nan 8.250 nan 0.000 0.429 61 G N 2.222 111.030 108.800 0.014 0.000 3.247 61 G HA2 0.342 4.317 3.960 0.026 0.000 0.163 61 G HA3 0.342 4.317 3.960 0.026 0.000 0.163 61 G C -0.660 174.250 174.900 0.017 0.000 1.206 61 G CA -0.400 44.709 45.100 0.015 0.000 0.918 61 G HN 0.372 nan 8.290 nan 0.000 0.625 62 K N -0.120 120.290 120.400 0.017 0.000 2.177 62 K HA 0.415 4.751 4.320 0.026 0.000 0.238 62 K C -0.230 176.381 176.600 0.019 0.000 1.015 62 K CA -0.590 55.708 56.287 0.018 0.000 0.922 62 K CB 0.815 33.325 32.500 0.017 0.000 1.127 62 K HN 0.387 nan 8.250 nan 0.000 0.469 63 K N 1.359 121.770 120.400 0.019 0.000 3.012 63 K HA -0.268 4.068 4.320 0.026 0.000 0.259 63 K C -0.758 175.855 176.600 0.022 0.000 0.989 63 K CA 1.132 57.430 56.287 0.020 0.000 0.728 63 K CB -1.641 30.870 32.500 0.019 0.000 1.260 63 K HN 0.854 nan 8.250 nan 0.000 0.480 64 R N -1.722 118.792 120.500 0.022 0.000 3.387 64 R HA -0.272 4.084 4.340 0.026 0.000 0.254 64 R C -0.783 175.535 176.300 0.029 0.000 1.006 64 R CA 1.240 57.355 56.100 0.025 0.000 0.677 64 R CB -1.718 28.597 30.300 0.025 0.000 1.063 64 R HN 0.313 nan 8.270 nan 0.000 0.453 65 R N 0.782 121.299 120.500 0.028 0.000 2.573 65 R HA 0.423 4.778 4.340 0.026 0.000 0.272 65 R C -0.167 176.152 176.300 0.031 0.000 1.009 65 R CA -0.714 55.406 56.100 0.033 0.000 1.059 65 R CB 1.205 31.524 30.300 0.032 0.000 1.112 65 R HN 0.358 nan 8.270 nan 0.000 0.517 66 E N -0.278 119.945 120.200 0.038 0.000 2.369 66 E HA 0.677 5.042 4.350 0.026 0.000 0.270 66 E C -1.433 175.184 176.600 0.028 0.000 0.909 66 E CA -0.903 55.513 56.400 0.027 0.000 0.775 66 E CB 2.464 32.182 29.700 0.031 0.000 1.270 66 E HN 0.623 nan 8.360 nan 0.000 0.445 67 A N 0.911 123.733 122.820 0.003 0.000 2.572 67 A HA 0.630 4.966 4.320 0.026 0.000 0.295 67 A C -1.532 176.029 177.584 -0.038 0.000 1.072 67 A CA -0.572 51.470 52.037 0.008 0.000 0.691 67 A CB 1.633 20.645 19.000 0.020 0.000 1.291 67 A HN 0.267 nan 8.150 nan 0.000 0.404 68 V N 0.836 120.732 119.914 -0.031 0.000 2.376 68 V HA 0.500 4.636 4.120 0.026 0.000 0.287 68 V C -0.389 175.689 176.094 -0.025 0.000 1.015 68 V CA -0.361 61.894 62.300 -0.075 0.000 0.834 68 V CB 0.550 32.314 31.823 -0.098 0.000 1.001 68 V HN 1.049 nan 8.190 nan 0.000 0.428 69 C N 4.913 124.197 119.300 -0.027 0.000 3.108 69 C HA 0.668 5.143 4.460 0.026 0.000 0.321 69 C C -0.139 174.848 174.990 -0.006 0.000 1.357 69 C CA -0.874 58.140 59.018 -0.006 0.000 1.562 69 C CB 2.142 29.884 27.740 0.003 0.000 2.003 69 C HN 0.722 nan 8.230 nan 0.000 0.460 70 I N 1.510 122.082 120.570 0.002 0.000 2.412 70 I HA 0.452 4.638 4.170 0.026 0.000 0.296 70 I C -0.598 175.525 176.117 0.010 0.000 0.987 70 I CA -0.303 61.001 61.300 0.007 0.000 1.180 70 I CB 1.451 39.455 38.000 0.006 0.000 1.340 70 I HN 0.267 nan 8.210 nan 0.000 0.455 71 V N 7.255 127.179 119.914 0.016 0.000 2.472 71 V HA 0.486 4.621 4.120 0.026 0.000 0.290 71 V C 0.039 176.144 176.094 0.019 0.000 1.037 71 V CA -0.472 61.837 62.300 0.015 0.000 0.908 71 V CB 1.589 33.418 31.823 0.011 0.000 0.985 71 V HN 0.468 nan 8.190 nan 0.000 0.454 72 L N 3.212 124.442 121.223 0.012 0.000 2.333 72 L HA 0.627 4.983 4.340 0.026 0.000 0.263 72 L C 0.283 177.158 176.870 0.008 0.000 1.014 72 L CA -0.603 54.244 54.840 0.012 0.000 0.820 72 L CB 2.612 44.676 42.059 0.008 0.000 1.352 72 L HN 0.742 nan 8.230 nan 0.000 0.421 73 S N -0.786 114.918 115.700 0.008 0.000 2.617 73 S HA 0.444 4.930 4.470 0.026 0.000 0.269 73 S C -0.834 173.767 174.600 0.002 0.000 1.292 73 S CA -0.637 57.565 58.200 0.003 0.000 1.010 73 S CB 1.858 65.060 63.200 0.003 0.000 0.944 73 S HN 0.613 nan 8.310 nan 0.000 0.536 74 D N -0.205 120.195 120.400 0.001 0.000 2.863 74 D HA 0.249 4.904 4.640 0.026 0.000 0.245 74 D C -0.205 176.095 176.300 -0.000 0.000 1.211 74 D CA -0.493 53.507 54.000 0.001 0.000 0.888 74 D CB 1.935 42.737 40.800 0.002 0.000 1.483 74 D HN 0.661 nan 8.370 nan 0.000 0.533 75 D N 0.781 121.181 120.400 -0.000 0.000 2.277 75 D HA -0.102 4.554 4.640 0.026 0.000 0.208 75 D C 1.279 177.579 176.300 -0.001 0.000 0.962 75 D CA 0.730 54.729 54.000 -0.001 0.000 0.865 75 D CB 0.116 40.915 40.800 -0.001 0.000 0.939 75 D HN 0.275 nan 8.370 nan 0.000 0.510 76 T N -1.126 113.428 114.554 -0.000 0.000 3.069 76 T HA 0.133 4.498 4.350 0.026 0.000 0.252 76 T C 0.431 175.131 174.700 0.001 0.000 1.053 76 T CA -0.364 61.736 62.100 -0.000 0.000 0.964 76 T CB -0.731 68.137 68.868 -0.001 0.000 1.005 76 T HN 0.337 nan 8.240 nan 0.000 0.532 77 C N 2.276 121.577 119.300 0.001 0.000 2.605 77 C HA 0.682 5.157 4.460 0.026 0.000 0.404 77 C C 0.474 175.464 174.990 0.001 0.000 1.284 77 C CA -0.514 58.505 59.018 0.002 0.000 2.199 77 C CB 0.017 27.758 27.740 0.002 0.000 2.647 77 C HN 0.475 nan 8.230 nan 0.000 0.604 78 S N 4.118 119.819 115.700 0.002 0.000 2.462 78 S HA 0.184 4.669 4.470 0.026 0.000 0.294 78 S C 0.602 175.202 174.600 0.001 0.000 1.144 78 S CA -0.382 57.819 58.200 0.002 0.000 1.088 78 S CB 1.510 64.712 63.200 0.004 0.000 1.009 78 S HN 0.886 nan 8.310 nan 0.000 0.484 79 D N 2.488 122.887 120.400 -0.001 0.000 2.339 79 D HA -0.242 4.413 4.640 0.026 0.000 0.189 79 D C 1.487 177.785 176.300 -0.002 0.000 1.022 79 D CA 2.121 56.119 54.000 -0.003 0.000 0.884 79 D CB 0.017 40.815 40.800 -0.004 0.000 0.916 79 D HN 0.642 nan 8.370 nan 0.000 0.453 80 E N 0.162 120.363 120.200 0.001 0.000 2.170 80 E HA 0.062 4.427 4.350 0.026 0.000 0.191 80 E C 0.487 177.091 176.600 0.005 0.000 0.981 80 E CA 0.629 57.031 56.400 0.003 0.000 0.830 80 E CB -0.044 29.659 29.700 0.005 0.000 0.775 80 E HN 0.268 nan 8.360 nan 0.000 0.470 81 K N 0.740 121.145 120.400 0.007 0.000 2.107 81 K HA 0.460 4.795 4.320 0.026 0.000 0.251 81 K C -0.247 176.358 176.600 0.008 0.000 1.012 81 K CA -0.525 55.769 56.287 0.010 0.000 0.920 81 K CB 1.392 33.899 32.500 0.013 0.000 1.033 81 K HN 0.015 nan 8.250 nan 0.000 0.478 82 I N 1.214 121.790 120.570 0.010 0.000 2.497 82 I HA 0.213 4.399 4.170 0.026 0.000 0.284 82 I C -0.824 175.301 176.117 0.013 0.000 1.060 82 I CA -0.742 60.563 61.300 0.009 0.000 1.071 82 I CB 0.963 38.967 38.000 0.007 0.000 1.216 82 I HN 0.505 nan 8.210 nan 0.000 0.442 83 R N 8.463 128.970 120.500 0.012 0.000 2.543 83 R HA 0.642 4.997 4.340 0.026 0.000 0.277 83 R C -0.623 175.686 176.300 0.016 0.000 1.074 83 R CA -0.054 56.055 56.100 0.016 0.000 1.076 83 R CB 1.022 31.330 30.300 0.014 0.000 0.993 83 R HN 0.728 nan 8.270 nan 0.000 0.459 84 M N -0.204 119.408 119.600 0.020 0.000 2.389 84 M HA 0.247 4.742 4.480 0.026 0.000 0.291 84 M C -1.444 174.869 176.300 0.022 0.000 1.128 84 M CA -0.941 54.371 55.300 0.020 0.000 0.942 84 M CB 1.630 34.241 32.600 0.018 0.000 1.783 84 M HN 0.549 nan 8.290 nan 0.000 0.501 85 N N 1.997 120.710 118.700 0.023 0.000 2.399 85 N HA 0.278 5.034 4.740 0.026 0.000 0.250 85 N C 0.204 175.721 175.510 0.012 0.000 1.272 85 N CA -0.855 52.207 53.050 0.019 0.000 0.928 85 N CB 1.107 39.608 38.487 0.022 0.000 1.158 85 N HN 0.775 nan 8.380 nan 0.000 0.463 86 R N 0.279 120.777 120.500 -0.003 0.000 2.154 86 R HA -0.177 4.179 4.340 0.026 0.000 0.248 86 R C 1.652 177.947 176.300 -0.008 0.000 1.155 86 R CA 1.326 57.414 56.100 -0.020 0.000 0.979 86 R CB -0.389 29.883 30.300 -0.047 0.000 0.869 86 R HN 0.551 nan 8.270 nan 0.000 0.452 87 V N -0.239 119.681 119.914 0.010 0.000 2.287 87 V HA -0.242 3.894 4.120 0.026 0.000 0.248 87 V C 2.304 178.423 176.094 0.042 0.000 1.053 87 V CA 1.783 64.102 62.300 0.030 0.000 1.027 87 V CB -0.304 31.555 31.823 0.061 0.000 0.646 87 V HN 0.166 nan 8.190 nan 0.000 0.447 88 V N -0.488 119.451 119.914 0.042 0.000 2.379 88 V HA -0.199 3.936 4.120 0.026 0.000 0.245 88 V C 2.539 178.649 176.094 0.026 0.000 1.044 88 V CA 2.027 64.351 62.300 0.041 0.000 1.036 88 V CB -0.746 31.098 31.823 0.036 0.000 0.664 88 V HN 0.436 nan 8.190 nan 0.000 0.453 89 R N 0.246 120.756 120.500 0.016 0.000 2.105 89 R HA -0.189 4.166 4.340 0.026 0.000 0.239 89 R C 2.142 178.443 176.300 0.003 0.000 1.135 89 R CA 2.150 58.254 56.100 0.006 0.000 0.967 89 R CB -0.281 30.017 30.300 -0.003 0.000 0.861 89 R HN 0.681 nan 8.270 nan 0.000 0.442 90 N N -0.149 118.552 118.700 0.001 0.000 2.092 90 N HA -0.120 4.636 4.740 0.026 0.000 0.189 90 N C 1.406 176.924 175.510 0.014 0.000 1.040 90 N CA 0.954 54.004 53.050 -0.001 0.000 0.845 90 N CB -0.195 38.287 38.487 -0.008 0.000 1.017 90 N HN 0.179 nan 8.380 nan 0.000 0.426 91 N N 1.299 120.016 118.700 0.028 0.000 2.182 91 N HA -0.157 4.598 4.740 0.026 0.000 0.192 91 N C 1.439 176.970 175.510 0.034 0.000 1.007 91 N CA 0.919 53.994 53.050 0.042 0.000 0.873 91 N CB -0.313 38.211 38.487 0.062 0.000 0.998 91 N HN 0.301 nan 8.380 nan 0.000 0.436 92 L N 0.204 121.442 121.223 0.026 0.000 2.558 92 L HA 0.151 4.506 4.340 0.026 0.000 0.225 92 L C 0.097 176.977 176.870 0.017 0.000 1.128 92 L CA 0.004 54.856 54.840 0.021 0.000 0.868 92 L CB 0.103 42.172 42.059 0.017 0.000 1.006 92 L HN 0.028 nan 8.230 nan 0.000 0.454 93 R N 0.118 120.627 120.500 0.014 0.000 3.336 93 R HA -0.125 4.230 4.340 0.026 0.000 0.260 93 R C -0.702 175.602 176.300 0.007 0.000 1.032 93 R CA 0.769 56.874 56.100 0.009 0.000 0.693 93 R CB -2.658 27.650 30.300 0.013 0.000 1.134 93 R HN 0.298 nan 8.270 nan 0.000 0.433 94 V N -2.865 117.051 119.914 0.003 0.000 3.102 94 V HA 0.852 4.988 4.120 0.026 0.000 0.312 94 V C 0.363 176.454 176.094 -0.006 0.000 1.135 94 V CA -1.331 60.971 62.300 0.003 0.000 1.022 94 V CB 3.284 35.112 31.823 0.009 0.000 1.056 94 V HN 0.088 nan 8.190 nan 0.000 0.436 95 R N 1.063 121.559 120.500 -0.005 0.000 2.873 95 R HA 0.667 5.022 4.340 0.026 0.000 0.264 95 R C -0.831 175.472 176.300 0.005 0.000 1.026 95 R CA -1.092 54.999 56.100 -0.014 0.000 1.002 95 R CB 1.772 32.059 30.300 -0.022 0.000 1.174 95 R HN 0.807 nan 8.270 nan 0.000 0.488 96 L N 1.001 122.234 121.223 0.017 0.000 2.540 96 L HA 0.093 4.448 4.340 0.026 0.000 0.276 96 L C 1.468 178.365 176.870 0.045 0.000 1.212 96 L CA 1.366 56.235 54.840 0.049 0.000 0.893 96 L CB 0.151 42.274 42.059 0.106 0.000 1.138 96 L HN 1.060 nan 8.230 nan 0.000 0.491 97 G N 1.285 110.111 108.800 0.044 0.000 2.259 97 G HA2 -0.205 3.770 3.960 0.026 0.000 0.217 97 G HA3 -0.205 3.770 3.960 0.026 0.000 0.217 97 G C 0.232 175.162 174.900 0.050 0.000 1.001 97 G CA -0.229 44.900 45.100 0.048 0.000 0.627 97 G HN 0.576 nan 8.290 nan 0.000 0.501 98 D N 0.170 120.592 120.400 0.037 0.000 2.380 98 D HA 0.507 5.163 4.640 0.026 0.000 0.254 98 D C 0.939 177.260 176.300 0.036 0.000 1.288 98 D CA 0.870 54.893 54.000 0.039 0.000 1.008 98 D CB 1.342 42.157 40.800 0.026 0.000 1.099 98 D HN 1.011 nan 8.370 nan 0.000 0.537 99 V N -1.862 118.071 119.914 0.032 0.000 2.769 99 V HA 0.753 4.889 4.120 0.026 0.000 0.312 99 V C -0.509 175.596 176.094 0.019 0.000 1.061 99 V CA -0.870 61.445 62.300 0.025 0.000 0.931 99 V CB 1.550 33.387 31.823 0.024 0.000 1.010 99 V HN 0.448 nan 8.190 nan 0.000 0.433 100 I N 0.987 121.566 120.570 0.014 0.000 3.174 100 I HA 0.935 5.120 4.170 0.026 0.000 0.313 100 I C -0.047 176.074 176.117 0.006 0.000 1.155 100 I CA -1.274 60.032 61.300 0.010 0.000 0.977 100 I CB 1.905 39.910 38.000 0.009 0.000 1.248 100 I HN 0.829 nan 8.210 nan 0.000 0.453 101 S N 2.590 118.292 115.700 0.004 0.000 2.498 101 S HA 0.746 5.232 4.470 0.026 0.000 0.317 101 S C -0.500 174.097 174.600 -0.005 0.000 1.090 101 S CA -0.504 57.696 58.200 0.000 0.000 1.089 101 S CB 0.850 64.051 63.200 0.002 0.000 0.997 101 S HN 0.856 nan 8.310 nan 0.000 0.470 102 I N 2.540 123.105 120.570 -0.008 0.000 2.428 102 I HA 0.501 4.686 4.170 0.026 0.000 0.296 102 I C -0.547 175.560 176.117 -0.016 0.000 0.985 102 I CA -0.437 60.855 61.300 -0.014 0.000 1.260 102 I CB 1.465 39.457 38.000 -0.013 0.000 1.389 102 I HN 0.882 nan 8.210 nan 0.000 0.484 103 Q N 8.396 128.183 119.800 -0.022 0.000 2.345 103 Q HA 0.542 4.898 4.340 0.026 0.000 0.275 103 Q C -2.718 173.268 176.000 -0.022 0.000 1.063 103 Q CA -1.958 53.833 55.803 -0.020 0.000 0.819 103 Q CB 2.848 31.576 28.738 -0.017 0.000 1.356 103 Q HN 0.348 nan 8.270 nan 0.000 0.418 104 P HA 0.042 nan 4.420 nan 0.000 0.271 104 P C -0.642 176.660 177.300 0.003 0.000 1.218 104 P CA -0.133 62.969 63.100 0.003 0.000 0.780 104 P CB 0.896 32.604 31.700 0.013 0.000 0.901 105 C N 5.330 124.635 119.300 0.009 0.000 3.465 105 C HA 0.299 4.774 4.460 0.026 0.000 0.193 105 C C -1.239 173.788 174.990 0.062 0.000 1.515 105 C CA -1.870 57.150 59.018 0.003 0.000 1.340 105 C CB -0.489 27.191 27.740 -0.101 0.000 1.928 105 C HN 0.452 nan 8.230 nan 0.000 0.510 106 P HA -0.034 nan 4.420 nan 0.000 0.242 106 P C 0.893 178.262 177.300 0.115 0.000 1.197 106 P CA 1.218 64.378 63.100 0.101 0.000 0.765 106 P CB 0.010 31.768 31.700 0.098 0.000 0.936 107 D N -0.447 120.037 120.400 0.140 0.000 2.340 107 D HA -0.010 4.646 4.640 0.026 0.000 0.220 107 D C 0.528 176.955 176.300 0.213 0.000 1.039 107 D CA -0.069 54.026 54.000 0.159 0.000 0.866 107 D CB -0.412 40.488 40.800 0.166 0.000 0.913 107 D HN -0.036 nan 8.370 nan 0.000 0.523 108 V N 1.192 121.263 119.914 0.261 0.000 2.673 108 V HA 0.035 4.171 4.120 0.026 0.000 0.303 108 V C 0.607 176.832 176.094 0.218 0.000 1.046 108 V CA 0.282 62.764 62.300 0.302 0.000 1.126 108 V CB 0.625 32.598 31.823 0.249 0.000 0.934 108 V HN 0.108 nan 8.190 nan 0.000 0.487 109 K N 3.745 124.260 120.400 0.192 0.000 2.422 109 K HA 0.462 4.797 4.320 0.026 0.000 0.251 109 K C -1.345 175.413 176.600 0.263 0.000 0.933 109 K CA -1.021 55.398 56.287 0.220 0.000 0.798 109 K CB 1.694 34.264 32.500 0.116 0.000 1.238 109 K HN 0.376 nan 8.250 nan 0.000 0.428 110 Y N 1.060 121.375 120.300 0.024 0.000 2.895 110 Y HA -0.009 4.556 4.550 0.026 0.000 0.334 110 Y C 1.399 177.282 175.900 -0.027 0.000 1.261 110 Y CA 0.418 58.518 58.100 -0.001 0.000 1.560 110 Y CB -0.176 38.283 38.460 -0.002 0.000 1.253 110 Y HN 0.714 nan 8.280 nan 0.000 0.582 111 G N 3.607 112.443 108.800 0.061 0.000 2.415 111 G HA2 0.244 4.220 3.960 0.026 0.000 0.269 111 G HA3 0.244 4.220 3.960 0.026 0.000 0.269 111 G C 0.453 175.345 174.900 -0.013 0.000 1.209 111 G CA -0.712 44.390 45.100 0.003 0.000 0.835 111 G HN 0.692 nan 8.290 nan 0.000 0.534 112 K N 0.745 121.138 120.400 -0.012 0.000 1.979 112 K HA 0.029 4.365 4.320 0.026 0.000 0.213 112 K C 1.139 177.711 176.600 -0.047 0.000 1.036 112 K CA 0.966 57.242 56.287 -0.019 0.000 0.954 112 K CB -0.024 32.473 32.500 -0.005 0.000 0.743 112 K HN 0.665 nan 8.250 nan 0.000 0.443 113 R N 0.328 120.811 120.500 -0.028 0.000 2.832 113 R HA 0.662 5.018 4.340 0.026 0.000 0.271 113 R C -0.703 175.585 176.300 -0.020 0.000 0.996 113 R CA -0.708 55.372 56.100 -0.034 0.000 0.977 113 R CB 1.384 31.734 30.300 0.083 0.000 1.168 113 R HN 0.058 nan 8.270 nan 0.000 0.482 114 I N 0.518 121.069 120.570 -0.031 0.000 2.722 114 I HA 0.220 4.406 4.170 0.026 0.000 0.292 114 I C -1.219 174.949 176.117 0.085 0.000 1.267 114 I CA -0.781 60.520 61.300 0.000 0.000 1.036 114 I CB 2.715 40.636 38.000 -0.132 0.000 1.281 114 I HN 0.623 nan 8.210 nan 0.000 0.423 115 H N 5.967 125.086 119.070 0.081 0.000 2.646 115 H HA 0.660 5.231 4.556 0.026 0.000 0.328 115 H C -1.537 173.868 175.328 0.127 0.000 0.998 115 H CA -0.401 55.718 56.048 0.119 0.000 1.225 115 H CB 1.817 31.645 29.762 0.110 0.000 1.457 115 H HN 0.411 nan 8.280 nan 0.000 0.505 116 V N 3.364 123.299 119.914 0.036 0.000 2.960 116 V HA 0.716 4.852 4.120 0.026 0.000 0.315 116 V C -0.924 175.271 176.094 0.169 0.000 1.087 116 V CA -0.911 61.505 62.300 0.193 0.000 0.982 116 V CB 2.611 34.598 31.823 0.274 0.000 1.039 116 V HN 0.567 nan 8.190 nan 0.000 0.437 117 L N 3.411 124.798 121.223 0.274 0.000 2.464 117 L HA 0.606 4.961 4.340 0.026 0.000 0.266 117 L C -2.572 174.448 176.870 0.250 0.000 0.965 117 L CA -1.716 53.283 54.840 0.265 0.000 0.833 117 L CB 3.107 45.293 42.059 0.213 0.000 1.296 117 L HN 0.532 nan 8.230 nan 0.000 0.405 118 P HA 0.194 nan 4.420 nan 0.000 0.272 118 P C -0.783 176.405 177.300 -0.186 0.000 1.240 118 P CA -0.151 62.800 63.100 -0.248 0.000 0.791 118 P CB 1.201 32.713 31.700 -0.313 0.000 0.978 119 I N 1.290 121.687 120.570 -0.288 0.000 2.353 119 I HA 0.046 4.231 4.170 0.026 0.000 0.293 119 I C 1.572 177.591 176.117 -0.162 0.000 0.992 119 I CA -0.322 60.869 61.300 -0.182 0.000 1.268 119 I CB 1.063 38.950 38.000 -0.189 0.000 1.387 119 I HN 0.385 nan 8.210 nan 0.000 0.478 120 D N 3.698 124.038 120.400 -0.100 0.000 2.268 120 D HA -0.367 4.289 4.640 0.026 0.000 0.189 120 D C 1.212 177.456 176.300 -0.092 0.000 1.010 120 D CA 2.369 56.321 54.000 -0.079 0.000 0.862 120 D CB -0.439 40.330 40.800 -0.052 0.000 0.943 120 D HN 0.764 nan 8.370 nan 0.000 0.451 121 D N -0.743 119.599 120.400 -0.097 0.000 2.264 121 D HA -0.128 4.528 4.640 0.026 0.000 0.208 121 D C 1.888 178.113 176.300 -0.124 0.000 0.966 121 D CA 1.724 55.666 54.000 -0.095 0.000 0.864 121 D CB -0.841 39.909 40.800 -0.084 0.000 0.933 121 D HN 0.510 nan 8.370 nan 0.000 0.499 122 T N -1.980 112.469 114.554 -0.175 0.000 3.100 122 T HA 0.026 4.392 4.350 0.026 0.000 0.253 122 T C 1.561 176.118 174.700 -0.237 0.000 1.118 122 T CA 0.589 62.551 62.100 -0.229 0.000 1.058 122 T CB -0.119 68.550 68.868 -0.332 0.000 0.953 122 T HN 0.231 nan 8.240 nan 0.000 0.515 123 V N -3.008 116.794 119.914 -0.187 0.000 3.432 123 V HA 0.487 4.622 4.120 0.026 0.000 0.298 123 V C 0.114 176.164 176.094 -0.073 0.000 1.464 123 V CA -0.708 61.507 62.300 -0.141 0.000 1.046 123 V CB -0.164 31.578 31.823 -0.136 0.000 0.887 123 V HN 0.075 nan 8.190 nan 0.000 0.441 124 E N 1.919 122.077 120.200 -0.070 0.000 2.417 124 E HA 0.482 4.847 4.350 0.026 0.000 0.261 124 E C 1.165 177.747 176.600 -0.030 0.000 1.000 124 E CA 1.667 58.041 56.400 -0.043 0.000 0.919 124 E CB 0.532 30.206 29.700 -0.044 0.000 0.955 124 E HN 0.614 nan 8.360 nan 0.000 0.455 125 G N 3.117 111.908 108.800 -0.015 0.000 2.493 125 G HA2 -0.254 3.722 3.960 0.026 0.000 0.206 125 G HA3 -0.254 3.722 3.960 0.026 0.000 0.206 125 G C 0.404 175.308 174.900 0.007 0.000 1.109 125 G CA -0.131 44.965 45.100 -0.005 0.000 0.689 125 G HN 0.650 nan 8.290 nan 0.000 0.516 126 I N 1.271 121.849 120.570 0.013 0.000 2.612 126 I HA 0.818 5.004 4.170 0.026 0.000 0.295 126 I C 0.171 176.314 176.117 0.043 0.000 1.011 126 I CA 0.114 61.437 61.300 0.038 0.000 1.326 126 I CB 1.924 39.966 38.000 0.070 0.000 1.427 126 I HN 0.414 nan 8.210 nan 0.000 0.537 127 T N 1.251 115.837 114.554 0.053 0.000 2.868 127 T HA 0.877 5.242 4.350 0.026 0.000 0.306 127 T C -0.151 174.589 174.700 0.066 0.000 1.224 127 T CA -0.268 61.865 62.100 0.056 0.000 1.012 127 T CB 1.358 70.249 68.868 0.038 0.000 1.221 127 T HN 1.717 nan 8.240 nan 0.000 0.499 128 G N 1.115 109.960 108.800 0.074 0.000 2.331 128 G HA2 0.129 4.104 3.960 0.026 0.000 0.402 128 G HA3 0.129 4.104 3.960 0.026 0.000 0.402 128 G C -1.424 173.540 174.900 0.107 0.000 1.275 128 G CA -1.010 44.135 45.100 0.076 0.000 1.003 128 G HN 0.908 nan 8.290 nan 0.000 0.500 129 N N 1.036 119.800 118.700 0.107 0.000 2.421 129 N HA 0.270 5.026 4.740 0.026 0.000 0.260 129 N C 1.837 177.462 175.510 0.191 0.000 1.173 129 N CA -0.268 52.873 53.050 0.151 0.000 0.960 129 N CB 0.250 38.828 38.487 0.151 0.000 1.273 129 N HN 0.479 nan 8.380 nan 0.000 0.497 130 L N 2.428 123.806 121.223 0.259 0.000 2.353 130 L HA -0.124 4.231 4.340 0.026 0.000 0.220 130 L C 1.725 178.803 176.870 0.346 0.000 1.133 130 L CA 0.639 55.712 54.840 0.389 0.000 0.798 130 L CB -0.407 41.929 42.059 0.461 0.000 0.922 130 L HN 0.448 nan 8.230 nan 0.000 0.445 131 F N 1.298 121.328 119.950 0.133 0.000 2.074 131 F HA -0.153 4.389 4.527 0.026 0.000 0.293 131 F C 2.490 178.333 175.800 0.070 0.000 1.116 131 F CA 1.521 59.567 58.000 0.077 0.000 1.212 131 F CB -0.134 38.889 39.000 0.037 0.000 0.998 131 F HN -0.018 nan 8.300 nan 0.000 0.471 132 E N -0.047 120.084 120.200 -0.114 0.000 2.409 132 E HA -0.083 4.282 4.350 0.026 0.000 0.198 132 E C 2.211 178.692 176.600 -0.198 0.000 1.024 132 E CA 0.946 57.210 56.400 -0.227 0.000 0.861 132 E CB -0.012 29.695 29.700 0.013 0.000 0.788 132 E HN 0.371 nan 8.360 nan 0.000 0.521 133 V N -0.537 119.279 119.914 -0.163 0.000 3.125 133 V HA -0.060 4.076 4.120 0.026 0.000 0.249 133 V C 1.026 176.820 176.094 -0.499 0.000 1.113 133 V CA 1.029 63.134 62.300 -0.325 0.000 1.106 133 V CB -0.122 31.483 31.823 -0.363 0.000 0.768 133 V HN 0.151 nan 8.190 nan 0.000 0.468 134 Y N -2.081 118.209 120.300 -0.016 0.000 3.011 134 Y HA 0.301 4.866 4.550 0.025 0.000 0.231 134 Y C 1.911 177.795 175.900 -0.028 0.000 0.983 134 Y CA -0.318 57.797 58.100 0.024 0.000 1.429 134 Y CB -0.363 38.200 38.460 0.171 0.000 1.491 134 Y HN -0.120 nan 8.280 nan 0.000 0.444 135 L N 0.849 122.121 121.223 0.083 0.000 2.127 135 L HA -0.202 4.154 4.340 0.026 0.000 0.211 135 L C 2.089 178.968 176.870 0.015 0.000 1.089 135 L CA 1.844 56.737 54.840 0.088 0.000 0.757 135 L CB -1.134 41.015 42.059 0.150 0.000 0.899 135 L HN 0.213 nan 8.230 nan 0.000 0.434 136 K N 0.508 120.662 120.400 -0.410 0.000 1.991 136 K HA -0.057 4.278 4.320 0.026 0.000 0.207 136 K C -0.437 176.079 176.600 -0.139 0.000 1.045 136 K CA 1.039 57.063 56.287 -0.438 0.000 0.937 136 K CB -1.319 30.734 32.500 -0.745 0.000 0.720 136 K HN 0.106 nan 8.250 nan 0.000 0.438 137 P HA -0.113 nan 4.420 nan 0.000 0.220 137 P C 0.799 178.099 177.300 -0.000 0.000 1.148 137 P CA 0.897 63.970 63.100 -0.044 0.000 0.803 137 P CB -0.081 31.594 31.700 -0.041 0.000 0.782 138 Y N -0.328 119.901 120.300 -0.118 0.000 2.070 138 Y HA -0.169 4.396 4.550 0.025 0.000 0.279 138 Y C 1.932 177.658 175.900 -0.289 0.000 1.134 138 Y CA 1.636 59.606 58.100 -0.216 0.000 1.113 138 Y CB -1.086 37.189 38.460 -0.308 0.000 0.981 138 Y HN -0.182 nan 8.280 nan 0.000 0.487 139 F N -0.021 119.815 119.950 -0.190 0.000 2.558 139 F HA 0.020 4.563 4.527 0.026 0.000 0.298 139 F C 0.870 176.534 175.800 -0.227 0.000 1.119 139 F CA 0.121 57.946 58.000 -0.291 0.000 1.451 139 F CB -0.713 38.183 39.000 -0.175 0.000 1.091 139 F HN -0.091 nan 8.300 nan 0.000 0.563 140 L N 1.799 123.022 121.223 -0.000 0.000 2.780 140 L HA -0.131 4.224 4.340 0.026 0.000 0.275 140 L C 0.889 177.740 176.870 -0.031 0.000 1.153 140 L CA 0.561 55.387 54.840 -0.024 0.000 0.993 140 L CB -0.391 41.651 42.059 -0.027 0.000 1.319 140 L HN 0.337 nan 8.230 nan 0.000 0.479 141 E N 1.748 121.922 120.200 -0.042 0.000 2.660 141 E HA -0.366 3.999 4.350 0.026 0.000 0.260 141 E C 1.024 177.738 176.600 0.189 0.000 1.122 141 E CA 0.474 56.908 56.400 0.057 0.000 0.755 141 E CB -0.925 28.838 29.700 0.104 0.000 1.345 141 E HN 0.855 nan 8.360 nan 0.000 0.421 142 A N -0.506 122.351 122.820 0.062 0.000 1.924 142 A HA 0.140 4.476 4.320 0.026 0.000 0.211 142 A C 0.396 178.143 177.584 0.272 0.000 1.198 142 A CA 1.128 53.220 52.037 0.090 0.000 0.657 142 A CB 0.152 19.081 19.000 -0.119 0.000 0.852 142 A HN 0.430 nan 8.150 nan 0.000 0.454 143 Y N -0.731 119.504 120.300 -0.108 0.000 3.402 143 Y HA -0.142 4.423 4.550 0.026 0.000 0.211 143 Y C 0.109 175.931 175.900 -0.129 0.000 1.681 143 Y CA 0.117 58.126 58.100 -0.151 0.000 1.562 143 Y CB -2.148 36.214 38.460 -0.163 0.000 1.579 143 Y HN 0.401 nan 8.280 nan 0.000 0.539 144 R N 2.368 122.853 120.500 -0.024 0.000 2.248 144 R HA 0.261 4.616 4.340 0.026 0.000 0.328 144 R C -2.313 173.987 176.300 -0.000 0.000 1.067 144 R CA -1.513 54.578 56.100 -0.016 0.000 0.924 144 R CB 0.498 30.773 30.300 -0.042 0.000 1.013 144 R HN 0.058 nan 8.270 nan 0.000 0.454 145 P HA 0.076 nan 4.420 nan 0.000 0.281 145 P C -0.515 176.807 177.300 0.036 0.000 1.286 145 P CA 0.015 63.121 63.100 0.010 0.000 0.772 145 P CB 0.476 32.182 31.700 0.010 0.000 0.862 146 I N 1.168 121.768 120.570 0.050 0.000 2.530 146 I HA 0.657 4.843 4.170 0.026 0.000 0.297 146 I C -0.346 175.848 176.117 0.128 0.000 1.011 146 I CA -1.343 60.003 61.300 0.078 0.000 1.107 146 I CB 2.747 40.781 38.000 0.056 0.000 1.285 146 I HN 0.109 nan 8.210 nan 0.000 0.436 147 R N 4.311 124.898 120.500 0.145 0.000 2.691 147 R HA 0.419 4.774 4.340 0.026 0.000 0.259 147 R C -0.832 175.565 176.300 0.162 0.000 1.048 147 R CA -0.761 55.451 56.100 0.187 0.000 1.086 147 R CB 1.627 32.020 30.300 0.155 0.000 1.166 147 R HN 0.857 nan 8.270 nan 0.000 0.526 148 K N 0.172 120.664 120.400 0.153 0.000 2.276 148 K HA 0.241 4.577 4.320 0.026 0.000 0.283 148 K C 0.298 176.973 176.600 0.125 0.000 1.044 148 K CA 0.976 57.340 56.287 0.128 0.000 0.944 148 K CB 0.449 33.008 32.500 0.097 0.000 1.012 148 K HN 0.776 nan 8.250 nan 0.000 0.472 149 G N 3.260 112.140 108.800 0.133 0.000 2.232 149 G HA2 -0.204 3.771 3.960 0.026 0.000 0.226 149 G HA3 -0.204 3.771 3.960 0.026 0.000 0.226 149 G C -0.243 174.735 174.900 0.129 0.000 0.996 149 G CA -0.010 45.160 45.100 0.116 0.000 0.626 149 G HN 0.693 nan 8.290 nan 0.000 0.509 150 D N 0.381 120.877 120.400 0.161 0.000 2.378 150 D HA 0.512 5.167 4.640 0.026 0.000 0.238 150 D C 0.778 177.215 176.300 0.229 0.000 1.180 150 D CA 0.438 54.546 54.000 0.181 0.000 0.895 150 D CB 0.766 41.687 40.800 0.202 0.000 1.192 150 D HN 0.358 nan 8.370 nan 0.000 0.438 151 I N 1.612 122.301 120.570 0.199 0.000 2.447 151 I HA 0.282 4.468 4.170 0.026 0.000 0.287 151 I C -0.672 175.570 176.117 0.209 0.000 1.023 151 I CA -0.922 60.467 61.300 0.148 0.000 1.083 151 I CB 0.866 38.883 38.000 0.029 0.000 1.245 151 I HN 0.195 nan 8.210 nan 0.000 0.434 152 F N 5.999 125.995 119.950 0.075 0.000 2.575 152 F HA 0.834 5.377 4.527 0.025 0.000 0.330 152 F C -1.288 174.480 175.800 -0.054 0.000 1.056 152 F CA -1.481 56.535 58.000 0.026 0.000 0.964 152 F CB 0.992 40.030 39.000 0.063 0.000 1.258 152 F HN 0.214 nan 8.300 nan 0.000 0.484 153 L N 2.084 123.297 121.223 -0.016 0.000 2.346 153 L HA 0.831 5.186 4.340 0.026 0.000 0.274 153 L C -1.339 175.399 176.870 -0.220 0.000 1.007 153 L CA -0.773 53.963 54.840 -0.173 0.000 0.818 153 L CB 2.042 44.032 42.059 -0.114 0.000 1.284 153 L HN 0.619 nan 8.230 nan 0.000 0.424 154 V N 4.860 124.623 119.914 -0.252 0.000 2.525 154 V HA 0.588 4.724 4.120 0.026 0.000 0.299 154 V C -0.157 175.890 176.094 -0.077 0.000 1.034 154 V CA -0.760 61.426 62.300 -0.191 0.000 0.863 154 V CB 1.607 33.372 31.823 -0.097 0.000 0.999 154 V HN 0.703 nan 8.190 nan 0.000 0.423 155 R N 2.411 122.940 120.500 0.049 0.000 2.486 155 R HA 0.859 5.215 4.340 0.026 0.000 0.286 155 R C 0.300 176.750 176.300 0.249 0.000 0.999 155 R CA -0.204 55.956 56.100 0.100 0.000 0.993 155 R CB 1.905 32.239 30.300 0.056 0.000 1.084 155 R HN 1.064 nan 8.270 nan 0.000 0.487 156 G N -1.002 107.959 108.800 0.268 0.000 2.353 156 G HA2 0.285 4.260 3.960 0.026 0.000 0.308 156 G HA3 0.285 4.260 3.960 0.026 0.000 0.308 156 G C 0.003 175.027 174.900 0.206 0.000 1.418 156 G CA -0.239 44.986 45.100 0.207 0.000 0.966 156 G HN 0.811 nan 8.290 nan 0.000 0.638 157 G N -0.312 108.517 108.800 0.049 0.000 2.341 157 G HA2 -0.012 3.964 3.960 0.026 0.000 0.292 157 G HA3 -0.012 3.964 3.960 0.026 0.000 0.292 157 G C 1.015 175.967 174.900 0.087 0.000 1.021 157 G CA 1.165 46.294 45.100 0.049 0.000 0.905 157 G HN 2.048 nan 8.290 nan 0.000 0.508 158 M N -2.555 117.088 119.600 0.072 0.000 2.249 158 M HA -0.263 4.232 4.480 0.026 0.000 0.198 158 M C 0.809 177.140 176.300 0.052 0.000 0.394 158 M CA 2.072 57.406 55.300 0.056 0.000 0.427 158 M CB -1.538 31.085 32.600 0.038 0.000 1.307 158 M HN 1.141 nan 8.290 nan 0.000 0.924 159 R N -1.610 118.930 120.500 0.067 0.000 2.789 159 R HA 0.888 5.244 4.340 0.026 0.000 0.279 159 R C -1.748 174.548 176.300 -0.005 0.000 1.010 159 R CA -0.704 55.406 56.100 0.017 0.000 0.855 159 R CB 1.168 31.469 30.300 0.002 0.000 1.312 159 R HN 0.316 nan 8.270 nan 0.000 0.479 160 A N 0.859 123.614 122.820 -0.107 0.000 2.381 160 A HA 0.650 4.985 4.320 0.026 0.000 0.299 160 A C -1.090 176.292 177.584 -0.337 0.000 1.049 160 A CA -0.750 51.175 52.037 -0.187 0.000 0.715 160 A CB 1.919 20.837 19.000 -0.137 0.000 1.222 160 A HN 0.359 nan 8.150 nan 0.000 0.428 161 V N 2.216 121.799 119.914 -0.553 0.000 2.532 161 V HA 0.370 4.505 4.120 0.026 0.000 0.295 161 V C 0.171 175.802 176.094 -0.772 0.000 1.041 161 V CA -0.477 61.380 62.300 -0.739 0.000 0.926 161 V CB 1.575 32.743 31.823 -1.091 0.000 0.992 161 V HN 0.952 nan 8.190 nan 0.000 0.457 162 E N 2.792 122.548 120.200 -0.741 0.000 2.216 162 E HA 0.582 4.947 4.350 0.026 0.000 0.279 162 E C -1.621 174.451 176.600 -0.881 0.000 0.997 162 E CA -0.303 55.719 56.400 -0.629 0.000 0.817 162 E CB 1.645 31.120 29.700 -0.375 0.000 1.096 162 E HN 0.490 nan 8.360 nan 0.000 0.393 163 F N 1.607 121.162 119.950 -0.658 0.000 2.556 163 F HA 0.344 4.886 4.527 0.026 0.000 0.314 163 F C 0.022 175.537 175.800 -0.475 0.000 1.106 163 F CA -0.857 56.748 58.000 -0.659 0.000 0.911 163 F CB 1.783 40.118 39.000 -1.109 0.000 1.190 163 F HN 0.137 nan 8.300 nan 0.000 0.448 164 K N 2.739 123.165 120.400 0.044 0.000 2.307 164 K HA 0.581 4.917 4.320 0.026 0.000 0.263 164 K C -1.221 175.528 176.600 0.248 0.000 0.973 164 K CA -0.582 55.782 56.287 0.128 0.000 0.846 164 K CB 1.421 33.969 32.500 0.079 0.000 1.100 164 K HN 0.504 nan 8.250 nan 0.000 0.438 165 V N 6.042 126.154 119.914 0.330 0.000 2.409 165 V HA -0.056 4.080 4.120 0.026 0.000 0.270 165 V C 1.347 177.569 176.094 0.213 0.000 1.019 165 V CA 0.047 62.535 62.300 0.312 0.000 1.066 165 V CB 0.622 32.622 31.823 0.296 0.000 1.021 165 V HN 0.720 nan 8.190 nan 0.000 0.476 166 V N 3.611 123.656 119.914 0.218 0.000 2.283 166 V HA 0.008 4.143 4.120 0.026 0.000 0.243 166 V C 0.833 177.005 176.094 0.131 0.000 1.039 166 V CA 1.428 63.832 62.300 0.173 0.000 1.016 166 V CB -0.123 31.834 31.823 0.225 0.000 0.650 166 V HN 0.898 nan 8.190 nan 0.000 0.449 167 E N -0.373 119.918 120.200 0.152 0.000 2.335 167 E HA 0.438 4.804 4.350 0.026 0.000 0.280 167 E C -0.669 175.989 176.600 0.097 0.000 0.918 167 E CA -0.322 56.141 56.400 0.103 0.000 0.765 167 E CB 1.877 31.621 29.700 0.073 0.000 1.218 167 E HN 0.347 nan 8.360 nan 0.000 0.425 168 T N 0.313 114.902 114.554 0.059 0.000 2.823 168 T HA 0.601 4.966 4.350 0.026 0.000 0.279 168 T C 0.850 175.556 174.700 0.011 0.000 0.998 168 T CA 0.150 62.268 62.100 0.029 0.000 0.994 168 T CB 1.323 70.204 68.868 0.022 0.000 0.960 168 T HN 0.372 nan 8.240 nan 0.000 0.448 169 D N 3.041 123.443 120.400 0.003 0.000 2.157 169 D HA -0.021 4.635 4.640 0.026 0.000 0.197 169 D C -1.201 175.087 176.300 -0.021 0.000 0.995 169 D CA 1.168 55.168 54.000 -0.000 0.000 0.860 169 D CB -2.289 38.510 40.800 -0.002 0.000 1.016 169 D HN 0.654 nan 8.370 nan 0.000 0.452 170 P HA 0.227 nan 4.420 nan 0.000 0.262 170 P C 0.728 177.956 177.300 -0.120 0.000 1.647 170 P CA 0.809 63.873 63.100 -0.061 0.000 0.865 170 P CB 0.116 31.791 31.700 -0.042 0.000 1.834 171 S N 1.791 117.437 115.700 -0.091 0.000 4.158 171 S HA -0.235 4.250 4.470 0.026 0.000 0.538 171 S C -0.497 174.034 174.600 -0.115 0.000 1.570 171 S CA 2.282 60.424 58.200 -0.097 0.000 3.943 171 S CB -1.911 61.231 63.200 -0.095 0.000 1.469 171 S HN 0.284 nan 8.310 nan 0.000 0.455 172 P HA 0.107 nan 4.420 nan 0.000 0.214 172 P C 0.280 177.578 177.300 -0.003 0.000 1.162 172 P CA 1.837 64.862 63.100 -0.125 0.000 0.874 172 P CB -0.272 31.338 31.700 -0.151 0.000 0.784 173 Y N -1.306 119.012 120.300 0.029 0.000 2.588 173 Y HA 0.651 5.217 4.550 0.026 0.000 0.343 173 Y C -0.439 175.472 175.900 0.018 0.000 1.065 173 Y CA -1.783 56.333 58.100 0.025 0.000 1.038 173 Y CB 0.797 39.274 38.460 0.029 0.000 1.297 173 Y HN 0.203 nan 8.280 nan 0.000 0.467 174 C N 0.494 119.890 119.300 0.161 0.000 3.239 174 C HA 0.786 5.261 4.460 0.026 0.000 0.329 174 C C -1.224 173.783 174.990 0.028 0.000 1.252 174 C CA -1.141 57.923 59.018 0.077 0.000 1.323 174 C CB 0.754 28.498 27.740 0.006 0.000 1.663 174 C HN 0.975 nan 8.230 nan 0.000 0.487 175 I N 2.543 123.096 120.570 -0.028 0.000 2.315 175 I HA 0.293 4.478 4.170 0.026 0.000 0.291 175 I C 0.182 176.149 176.117 -0.250 0.000 1.006 175 I CA -0.436 60.774 61.300 -0.151 0.000 1.265 175 I CB 1.725 39.559 38.000 -0.277 0.000 1.387 175 I HN 0.592 nan 8.210 nan 0.000 0.475 176 V N 7.530 127.290 119.914 -0.258 0.000 2.382 176 V HA 0.099 4.235 4.120 0.026 0.000 0.250 176 V C 1.020 176.871 176.094 -0.406 0.000 1.069 176 V CA -0.171 61.924 62.300 -0.341 0.000 1.130 176 V CB -0.527 30.993 31.823 -0.504 0.000 1.165 176 V HN 0.837 nan 8.190 nan 0.000 0.483 177 A N 8.515 131.113 122.820 -0.370 0.000 2.280 177 A HA 0.549 4.885 4.320 0.026 0.000 0.268 177 A C -0.417 177.001 177.584 -0.277 0.000 1.111 177 A CA -1.138 50.663 52.037 -0.393 0.000 0.814 177 A CB -0.009 19.000 19.000 0.015 0.000 1.093 177 A HN 0.590 nan 8.150 nan 0.000 0.498 178 P HA -0.094 nan 4.420 nan 0.000 0.226 178 P C 0.213 177.476 177.300 -0.061 0.000 1.153 178 P CA 1.184 64.211 63.100 -0.122 0.000 0.777 178 P CB 0.173 31.835 31.700 -0.064 0.000 0.794 179 D N -0.777 119.598 120.400 -0.041 0.000 2.360 179 D HA 0.025 4.680 4.640 0.026 0.000 0.210 179 D C 0.189 176.456 176.300 -0.056 0.000 1.047 179 D CA 0.430 54.412 54.000 -0.030 0.000 0.854 179 D CB 0.112 40.910 40.800 -0.003 0.000 0.936 179 D HN 0.120 nan 8.370 nan 0.000 0.514 180 T N 1.589 116.092 114.554 -0.085 0.000 2.867 180 T HA 0.098 4.463 4.350 0.026 0.000 0.297 180 T C 0.596 175.201 174.700 -0.158 0.000 0.989 180 T CA -0.155 61.873 62.100 -0.120 0.000 1.159 180 T CB 1.648 70.413 68.868 -0.172 0.000 0.928 180 T HN -0.222 nan 8.240 nan 0.000 0.538 181 V N 5.983 125.790 119.914 -0.179 0.000 2.508 181 V HA 0.227 4.362 4.120 0.026 0.000 0.281 181 V C 0.501 176.350 176.094 -0.408 0.000 1.041 181 V CA -0.242 61.885 62.300 -0.288 0.000 1.016 181 V CB 0.182 31.824 31.823 -0.301 0.000 0.984 181 V HN 0.735 nan 8.190 nan 0.000 0.478 182 I N 5.270 125.579 120.570 -0.435 0.000 2.330 182 I HA 0.389 4.574 4.170 0.026 0.000 0.289 182 I C -0.244 175.581 176.117 -0.488 0.000 1.001 182 I CA -0.335 60.734 61.300 -0.385 0.000 1.193 182 I CB 0.792 38.699 38.000 -0.156 0.000 1.345 182 I HN 0.658 nan 8.210 nan 0.000 0.461 183 H N 4.869 123.816 119.070 -0.204 0.000 2.459 183 H HA 0.360 4.931 4.556 0.026 0.000 0.332 183 H C -0.167 174.837 175.328 -0.541 0.000 1.094 183 H CA -0.665 55.219 56.048 -0.274 0.000 1.224 183 H CB 1.269 30.996 29.762 -0.057 0.000 1.449 183 H HN 0.740 nan 8.280 nan 0.000 0.484 184 C N 1.358 120.484 119.300 -0.291 0.000 3.074 184 C HA 0.342 4.818 4.460 0.026 0.000 0.224 184 C C -0.146 174.795 174.990 -0.082 0.000 1.988 184 C CA -1.150 57.713 59.018 -0.258 0.000 1.470 184 C CB -1.565 26.150 27.740 -0.042 0.000 2.762 184 C HN 0.679 nan 8.230 nan 0.000 0.502 185 E N 2.040 122.223 120.200 -0.029 0.000 2.608 185 E HA 0.385 4.751 4.350 0.026 0.000 0.259 185 E C 1.283 177.970 176.600 0.145 0.000 0.951 185 E CA 1.143 57.634 56.400 0.151 0.000 0.945 185 E CB 0.420 30.303 29.700 0.305 0.000 0.916 185 E HN 0.816 nan 8.360 nan 0.000 0.477 186 G N 3.074 111.934 108.800 0.099 0.000 2.134 186 G HA2 0.116 4.092 3.960 0.026 0.000 0.253 186 G HA3 0.116 4.092 3.960 0.026 0.000 0.253 186 G C -0.228 174.725 174.900 0.089 0.000 0.960 186 G CA 0.395 45.546 45.100 0.085 0.000 0.922 186 G HN 0.468 nan 8.290 nan 0.000 0.394 187 E N 1.486 121.736 120.200 0.084 0.000 3.797 187 E HA 0.109 4.475 4.350 0.026 0.000 0.349 187 E C -3.033 173.609 176.600 0.070 0.000 1.177 187 E CA -0.596 55.846 56.400 0.069 0.000 1.289 187 E CB 0.333 30.074 29.700 0.068 0.000 1.033 187 E HN 0.360 nan 8.360 nan 0.000 0.488 188 P HA 0.538 nan 4.420 nan 0.000 0.304 188 P C -0.669 176.634 177.300 0.005 0.000 1.406 188 P CA -0.728 62.378 63.100 0.010 0.000 0.948 188 P CB 0.601 32.292 31.700 -0.015 0.000 0.972 189 I N -0.562 120.011 120.570 0.006 0.000 3.021 189 I HA 0.564 4.749 4.170 0.026 0.000 0.303 189 I C 0.262 176.369 176.117 -0.017 0.000 1.044 189 I CA -0.928 60.375 61.300 0.005 0.000 1.266 189 I CB 0.869 38.882 38.000 0.022 0.000 1.447 189 I HN 0.013 nan 8.210 nan 0.000 0.593 190 K N 2.413 122.806 120.400 -0.012 0.000 2.144 190 K HA 0.291 4.626 4.320 0.026 0.000 0.270 190 K C -0.417 176.169 176.600 -0.023 0.000 1.005 190 K CA -0.446 55.829 56.287 -0.020 0.000 0.932 190 K CB 0.903 33.396 32.500 -0.012 0.000 1.021 190 K HN 0.691 nan 8.250 nan 0.000 0.462 191 R N 2.879 123.360 120.500 -0.032 0.000 2.298 191 R HA 0.097 4.452 4.340 0.026 0.000 0.310 191 R C -0.564 175.724 176.300 -0.021 0.000 1.068 191 R CA -0.087 55.992 56.100 -0.034 0.000 0.957 191 R CB 0.474 30.745 30.300 -0.047 0.000 1.003 191 R HN 0.731 nan 8.270 nan 0.000 0.454 192 E N 2.068 122.259 120.200 -0.014 0.000 2.376 192 E HA -0.015 4.351 4.350 0.026 0.000 0.254 192 E C 0.349 176.945 176.600 -0.007 0.000 1.213 192 E CA -0.586 55.810 56.400 -0.006 0.000 0.945 192 E CB 0.691 30.391 29.700 0.001 0.000 1.057 192 E HN 0.606 nan 8.360 nan 0.000 0.479 193 D N 1.242 121.641 120.400 -0.002 0.000 2.084 193 D HA -0.178 4.477 4.640 0.026 0.000 0.194 193 D C 1.404 177.704 176.300 0.001 0.000 0.990 193 D CA 1.152 55.153 54.000 0.001 0.000 0.826 193 D CB -0.122 40.681 40.800 0.005 0.000 0.971 193 D HN 0.522 nan 8.370 nan 0.000 0.453 194 E N 1.467 121.669 120.200 0.003 0.000 2.463 194 E HA -0.065 4.301 4.350 0.026 0.000 0.191 194 E C -0.323 176.276 176.600 -0.003 0.000 1.083 194 E CA 0.251 56.652 56.400 0.003 0.000 0.872 194 E CB -0.391 29.314 29.700 0.007 0.000 0.966 194 E HN 0.333 nan 8.360 nan 0.000 0.491 195 E N 1.926 122.121 120.200 -0.008 0.000 2.121 195 E HA 0.184 4.550 4.350 0.026 0.000 0.255 195 E C -0.741 175.842 176.600 -0.028 0.000 0.906 195 E CA -0.308 56.083 56.400 -0.016 0.000 0.745 195 E CB 0.893 30.585 29.700 -0.014 0.000 1.155 195 E HN 0.239 nan 8.360 nan 0.000 0.424 196 E N 1.133 121.313 120.200 -0.033 0.000 2.408 196 E HA 0.087 4.452 4.350 0.026 0.000 0.259 196 E C -0.090 176.473 176.600 -0.061 0.000 1.110 196 E CA -0.057 56.315 56.400 -0.047 0.000 0.929 196 E CB 0.937 30.605 29.700 -0.052 0.000 0.971 196 E HN 0.170 nan 8.360 nan 0.000 0.438 197 S N 1.069 116.726 115.700 -0.071 0.000 2.537 197 S HA 0.143 4.628 4.470 0.026 0.000 0.275 197 S C 0.802 175.346 174.600 -0.093 0.000 1.272 197 S CA -0.632 57.516 58.200 -0.086 0.000 1.050 197 S CB 0.341 63.488 63.200 -0.088 0.000 0.961 197 S HN 0.457 nan 8.310 nan 0.000 0.496 198 L N 4.242 125.405 121.223 -0.100 0.000 2.650 198 L HA 0.097 4.452 4.340 0.026 0.000 0.235 198 L C 1.714 178.522 176.870 -0.103 0.000 1.149 198 L CA 0.211 54.993 54.840 -0.097 0.000 0.887 198 L CB -0.605 41.398 42.059 -0.093 0.000 1.021 198 L HN 0.647 nan 8.230 nan 0.000 0.441 199 N N -0.491 118.145 118.700 -0.106 0.000 2.353 199 N HA -0.047 4.708 4.740 0.026 0.000 0.185 199 N C 0.650 176.100 175.510 -0.100 0.000 1.098 199 N CA 0.124 53.113 53.050 -0.102 0.000 0.872 199 N CB 0.422 38.849 38.487 -0.100 0.000 0.970 199 N HN 0.105 nan 8.380 nan 0.000 0.467 200 E N -0.038 120.099 120.200 -0.106 0.000 2.392 200 E HA 0.056 4.421 4.350 0.026 0.000 0.256 200 E C -0.244 176.275 176.600 -0.136 0.000 1.145 200 E CA -0.258 56.071 56.400 -0.119 0.000 0.929 200 E CB 1.066 30.693 29.700 -0.122 0.000 0.998 200 E HN -0.108 nan 8.360 nan 0.000 0.442 201 V N 0.997 120.814 119.914 -0.162 0.000 2.530 201 V HA 0.481 4.616 4.120 0.026 0.000 0.282 201 V C 0.784 176.756 176.094 -0.204 0.000 1.048 201 V CA 0.062 62.260 62.300 -0.169 0.000 0.997 201 V CB 1.075 32.786 31.823 -0.187 0.000 0.987 201 V HN 0.702 nan 8.190 nan 0.000 0.477 202 G N 1.944 110.637 108.800 -0.178 0.000 2.818 202 G HA2 0.481 4.457 3.960 0.026 0.000 0.286 202 G HA3 0.481 4.457 3.960 0.026 0.000 0.286 202 G C -0.399 174.422 174.900 -0.131 0.000 1.364 202 G CA -0.421 44.535 45.100 -0.240 0.000 0.938 202 G HN 0.447 nan 8.290 nan 0.000 0.490 203 Y N 0.192 120.449 120.300 -0.071 0.000 2.497 203 Y HA -0.030 4.538 4.550 0.030 0.000 0.292 203 Y C 2.423 178.293 175.900 -0.051 0.000 1.137 203 Y CA 1.069 59.133 58.100 -0.060 0.000 1.285 203 Y CB -0.177 38.255 38.460 -0.047 0.000 0.991 203 Y HN 0.599 nan 8.280 nan 0.000 0.556 204 D N -1.759 118.687 120.400 0.077 0.000 2.363 204 D HA -0.095 4.561 4.640 0.026 0.000 0.220 204 D C 0.756 177.054 176.300 -0.004 0.000 0.994 204 D CA 0.718 54.737 54.000 0.031 0.000 0.890 204 D CB -0.256 40.547 40.800 0.005 0.000 0.906 204 D HN 0.164 nan 8.370 nan 0.000 0.530 205 D N 0.009 120.401 120.400 -0.014 0.000 2.349 205 D HA 0.081 4.737 4.640 0.026 0.000 0.214 205 D C -0.223 176.073 176.300 -0.006 0.000 1.063 205 D CA 0.091 54.063 54.000 -0.048 0.000 0.847 205 D CB 1.174 41.928 40.800 -0.076 0.000 0.933 205 D HN 0.110 nan 8.370 nan 0.000 0.513 206 V N 0.539 120.468 119.914 0.025 0.000 2.448 206 V HA 0.707 4.843 4.120 0.026 0.000 0.295 206 V C 0.607 176.718 176.094 0.030 0.000 1.025 206 V CA -0.826 61.495 62.300 0.034 0.000 0.859 206 V CB 1.863 33.707 31.823 0.035 0.000 0.988 206 V HN 0.020 nan 8.190 nan 0.000 0.431 207 G N 1.694 110.516 108.800 0.036 0.000 2.519 207 G HA2 0.602 4.578 3.960 0.026 0.000 0.307 207 G HA3 0.602 4.578 3.960 0.026 0.000 0.307 207 G C 0.612 175.523 174.900 0.018 0.000 1.266 207 G CA -0.096 45.021 45.100 0.028 0.000 0.970 207 G HN 1.544 nan 8.290 nan 0.000 0.481 208 G N -1.465 107.340 108.800 0.008 0.000 2.179 208 G HA2 -0.219 3.756 3.960 0.026 0.000 0.260 208 G HA3 -0.219 3.756 3.960 0.026 0.000 0.260 208 G C 0.256 175.150 174.900 -0.011 0.000 0.977 208 G CA 0.566 45.667 45.100 0.002 0.000 0.641 208 G HN 1.309 nan 8.290 nan 0.000 0.533 209 C N -0.828 118.461 119.300 -0.019 0.000 2.446 209 C HA 0.811 5.286 4.460 0.026 0.000 0.329 209 C C 0.835 175.796 174.990 -0.048 0.000 1.166 209 C CA -0.674 58.322 59.018 -0.036 0.000 1.341 209 C CB 1.475 29.190 27.740 -0.043 0.000 1.970 209 C HN 0.589 nan 8.230 nan 0.000 0.452 210 R N 1.170 121.639 120.500 -0.051 0.000 3.059 210 R HA 0.125 4.481 4.340 0.026 0.000 0.161 210 R C 1.549 177.810 176.300 -0.065 0.000 0.758 210 R CA -0.129 55.934 56.100 -0.062 0.000 1.064 210 R CB -0.317 29.958 30.300 -0.042 0.000 1.538 210 R HN 0.371 nan 8.270 nan 0.000 0.574 211 K N 2.208 122.580 120.400 -0.047 0.000 2.001 211 K HA -0.183 4.152 4.320 0.026 0.000 0.214 211 K C 2.024 178.595 176.600 -0.049 0.000 1.050 211 K CA 1.969 58.232 56.287 -0.040 0.000 0.934 211 K CB -0.569 31.915 32.500 -0.028 0.000 0.718 211 K HN 0.240 nan 8.250 nan 0.000 0.443 212 Q N 0.970 120.738 119.800 -0.055 0.000 2.084 212 Q HA -0.091 4.264 4.340 0.026 0.000 0.202 212 Q C 2.278 178.233 176.000 -0.076 0.000 0.978 212 Q CA 1.310 57.076 55.803 -0.061 0.000 0.844 212 Q CB -0.719 27.975 28.738 -0.073 0.000 0.898 212 Q HN 0.354 nan 8.270 nan 0.000 0.426 213 L N 0.545 121.709 121.223 -0.099 0.000 2.191 213 L HA -0.127 4.228 4.340 0.026 0.000 0.212 213 L C 2.381 179.143 176.870 -0.181 0.000 1.103 213 L CA 0.991 55.737 54.840 -0.157 0.000 0.769 213 L CB -0.346 41.597 42.059 -0.194 0.000 0.908 213 L HN 0.291 nan 8.230 nan 0.000 0.438 214 A N -0.895 121.849 122.820 -0.127 0.000 1.898 214 A HA -0.204 4.131 4.320 0.026 0.000 0.214 214 A C 2.083 179.627 177.584 -0.067 0.000 1.183 214 A CA 1.033 53.008 52.037 -0.104 0.000 0.622 214 A CB -0.315 18.643 19.000 -0.070 0.000 0.824 214 A HN 0.465 nan 8.150 nan 0.000 0.444 215 Q N -0.280 119.493 119.800 -0.046 0.000 2.030 215 Q HA -0.166 4.190 4.340 0.026 0.000 0.204 215 Q C 2.045 178.039 176.000 -0.010 0.000 0.986 215 Q CA 1.810 57.603 55.803 -0.016 0.000 0.843 215 Q CB -0.407 28.328 28.738 -0.005 0.000 0.904 215 Q HN 0.735 nan 8.270 nan 0.000 0.420 216 I N 0.764 121.319 120.570 -0.025 0.000 2.226 216 I HA -0.304 3.882 4.170 0.026 0.000 0.245 216 I C 2.229 178.339 176.117 -0.013 0.000 1.100 216 I CA 1.253 62.547 61.300 -0.010 0.000 1.374 216 I CB -0.291 37.697 38.000 -0.020 0.000 1.057 216 I HN 0.148 nan 8.210 nan 0.000 0.413 217 K N 0.935 121.299 120.400 -0.060 0.000 2.044 217 K HA -0.255 4.081 4.320 0.026 0.000 0.210 217 K C 2.031 178.633 176.600 0.004 0.000 1.049 217 K CA 2.197 58.454 56.287 -0.050 0.000 0.927 217 K CB -0.304 32.117 32.500 -0.132 0.000 0.713 217 K HN 0.554 nan 8.250 nan 0.000 0.443 218 E N 0.785 120.988 120.200 0.005 0.000 2.152 218 E HA -0.171 4.195 4.350 0.026 0.000 0.192 218 E C 2.049 178.682 176.600 0.055 0.000 0.983 218 E CA 0.889 57.309 56.400 0.035 0.000 0.818 218 E CB -0.248 29.470 29.700 0.031 0.000 0.758 218 E HN 0.246 nan 8.360 nan 0.000 0.467 219 M N 1.481 121.108 119.600 0.045 0.000 2.080 219 M HA -0.152 4.343 4.480 0.026 0.000 0.260 219 M C 2.575 178.908 176.300 0.054 0.000 1.068 219 M CA 2.144 57.477 55.300 0.054 0.000 1.109 219 M CB -0.283 32.346 32.600 0.048 0.000 1.342 219 M HN 0.269 nan 8.290 nan 0.000 0.405 220 V N -2.782 117.161 119.914 0.048 0.000 3.129 220 V HA -0.055 4.081 4.120 0.026 0.000 0.259 220 V C 1.801 177.926 176.094 0.052 0.000 1.116 220 V CA 1.322 63.648 62.300 0.043 0.000 1.127 220 V CB -0.679 31.174 31.823 0.050 0.000 0.742 220 V HN 0.316 nan 8.190 nan 0.000 0.474 221 E N 1.735 121.973 120.200 0.063 0.000 2.082 221 E HA -0.256 4.109 4.350 0.026 0.000 0.215 221 E C 1.892 178.540 176.600 0.081 0.000 1.048 221 E CA 2.880 59.317 56.400 0.062 0.000 0.869 221 E CB -0.713 29.035 29.700 0.080 0.000 0.773 221 E HN 0.659 nan 8.360 nan 0.000 0.466 222 L N -0.271 121.068 121.223 0.194 0.000 2.005 222 L HA -0.086 4.269 4.340 0.026 0.000 0.207 222 L C -0.474 176.637 176.870 0.403 0.000 1.072 222 L CA 1.482 56.539 54.840 0.361 0.000 0.744 222 L CB -1.534 40.816 42.059 0.485 0.000 0.895 222 L HN 0.223 nan 8.230 nan 0.000 0.433 223 P HA -0.167 nan 4.420 nan 0.000 0.218 223 P C 1.716 179.023 177.300 0.013 0.000 1.148 223 P CA 1.476 64.545 63.100 -0.051 0.000 0.822 223 P CB 0.116 31.662 31.700 -0.257 0.000 0.784 224 L N -2.248 118.984 121.223 0.015 0.000 2.463 224 L HA 0.139 4.495 4.340 0.026 0.000 0.219 224 L C 2.299 179.135 176.870 -0.056 0.000 1.088 224 L CA 0.455 55.292 54.840 -0.006 0.000 0.849 224 L CB -0.155 41.914 42.059 0.016 0.000 1.012 224 L HN -0.142 nan 8.230 nan 0.000 0.468 225 R N -1.103 119.326 120.500 -0.119 0.000 2.225 225 R HA 0.165 4.521 4.340 0.026 0.000 0.194 225 R C 0.164 176.195 176.300 -0.448 0.000 0.957 225 R CA 0.492 56.406 56.100 -0.310 0.000 1.042 225 R CB 0.409 30.437 30.300 -0.454 0.000 1.004 225 R HN 0.307 nan 8.270 nan 0.000 0.509 226 H N -0.064 119.047 119.070 0.069 0.000 2.386 226 H HA 0.277 4.848 4.556 0.025 0.000 0.232 226 H C -2.008 173.377 175.328 0.096 0.000 1.416 226 H CA -2.279 53.804 56.048 0.058 0.000 1.285 226 H CB 1.196 30.989 29.762 0.053 0.000 1.625 226 H HN -0.090 nan 8.280 nan 0.000 0.521 227 P HA -0.199 nan 4.420 nan 0.000 0.214 227 P C 1.785 179.145 177.300 0.100 0.000 1.163 227 P CA 2.152 65.188 63.100 -0.107 0.000 0.889 227 P CB 0.291 31.590 31.700 -0.668 0.000 0.790 228 A N -0.825 122.027 122.820 0.054 0.000 1.971 228 A HA -0.274 4.061 4.320 0.026 0.000 0.222 228 A C 2.118 179.750 177.584 0.080 0.000 1.182 228 A CA 1.974 54.062 52.037 0.086 0.000 0.649 228 A CB -1.802 17.229 19.000 0.053 0.000 0.818 228 A HN 0.158 nan 8.150 nan 0.000 0.458 229 L N -1.108 120.141 121.223 0.042 0.000 1.951 229 L HA -0.198 4.157 4.340 0.026 0.000 0.222 229 L C 2.217 178.978 176.870 -0.182 0.000 1.078 229 L CA 2.461 57.215 54.840 -0.142 0.000 0.778 229 L CB -0.961 40.912 42.059 -0.311 0.000 0.893 229 L HN 0.416 nan 8.230 nan 0.000 0.436 230 F N -0.260 119.742 119.950 0.087 0.000 2.494 230 F HA -0.147 4.395 4.527 0.024 0.000 0.298 230 F C 2.405 178.263 175.800 0.096 0.000 1.106 230 F CA 1.212 59.269 58.000 0.093 0.000 1.452 230 F CB -0.674 38.398 39.000 0.120 0.000 1.085 230 F HN 0.201 nan 8.300 nan 0.000 0.569 231 K N 0.891 121.428 120.400 0.229 0.000 2.062 231 K HA -0.010 4.325 4.320 0.026 0.000 0.205 231 K C 1.849 178.503 176.600 0.090 0.000 1.051 231 K CA 1.174 57.562 56.287 0.169 0.000 0.941 231 K CB -0.145 32.451 32.500 0.161 0.000 0.719 231 K HN 0.225 nan 8.250 nan 0.000 0.440 232 A N 0.921 123.769 122.820 0.047 0.000 2.379 232 A HA 0.299 4.634 4.320 0.026 0.000 0.236 232 A C 0.533 178.109 177.584 -0.013 0.000 1.272 232 A CA -0.302 51.742 52.037 0.011 0.000 0.886 232 A CB 0.044 19.039 19.000 -0.008 0.000 0.962 232 A HN 0.164 nan 8.150 nan 0.000 0.504 233 I N -2.253 118.311 120.570 -0.010 0.000 2.910 233 I HA 0.440 4.625 4.170 0.026 0.000 0.310 233 I C 1.267 177.405 176.117 0.034 0.000 1.043 233 I CA -0.627 60.654 61.300 -0.030 0.000 1.053 233 I CB 2.215 40.126 38.000 -0.149 0.000 1.242 233 I HN 0.088 nan 8.210 nan 0.000 0.452 234 G N 2.416 111.233 108.800 0.029 0.000 3.192 234 G HA2 0.258 4.234 3.960 0.026 0.000 0.239 234 G HA3 0.258 4.234 3.960 0.026 0.000 0.239 234 G C 0.168 175.112 174.900 0.073 0.000 1.084 234 G CA 0.104 45.234 45.100 0.050 0.000 0.784 234 G HN 0.261 nan 8.290 nan 0.000 0.540 235 V N 0.603 120.570 119.914 0.088 0.000 2.775 235 V HA 0.270 4.405 4.120 0.026 0.000 0.299 235 V C 0.265 176.498 176.094 0.231 0.000 1.062 235 V CA -0.456 61.921 62.300 0.128 0.000 1.063 235 V CB 1.615 33.503 31.823 0.107 0.000 0.994 235 V HN 0.238 nan 8.190 nan 0.000 0.483 236 K N 6.523 127.029 120.400 0.176 0.000 2.281 236 K HA 0.424 4.759 4.320 0.026 0.000 0.272 236 K C -2.188 174.490 176.600 0.129 0.000 1.048 236 K CA -1.412 54.962 56.287 0.145 0.000 0.898 236 K CB 1.023 33.570 32.500 0.078 0.000 1.128 236 K HN 0.538 nan 8.250 nan 0.000 0.460 237 P HA 0.253 nan 4.420 nan 0.000 0.276 237 P C -2.639 174.618 177.300 -0.072 0.000 1.261 237 P CA -1.264 61.775 63.100 -0.101 0.000 0.800 237 P CB 0.235 31.515 31.700 -0.700 0.000 1.066 238 P HA 0.240 nan 4.420 nan 0.000 0.278 238 P C 0.272 177.538 177.300 -0.056 0.000 1.238 238 P CA -0.095 62.994 63.100 -0.018 0.000 0.794 238 P CB 0.942 32.653 31.700 0.018 0.000 0.955 239 R N 2.118 122.584 120.500 -0.056 0.000 2.098 239 R HA 0.359 4.714 4.340 0.026 0.000 0.203 239 R C 1.390 177.626 176.300 -0.105 0.000 1.166 239 R CA 1.093 57.143 56.100 -0.085 0.000 1.090 239 R CB -0.970 29.271 30.300 -0.099 0.000 0.992 239 R HN 0.661 nan 8.270 nan 0.000 0.477 240 G N 0.345 109.038 108.800 -0.178 0.000 2.372 240 G HA2 0.583 4.558 3.960 0.026 0.000 0.323 240 G HA3 0.583 4.558 3.960 0.026 0.000 0.323 240 G C -0.666 174.279 174.900 0.075 0.000 1.152 240 G CA -0.420 44.532 45.100 -0.246 0.000 0.906 240 G HN 0.353 nan 8.290 nan 0.000 0.460 241 I N 1.941 122.671 120.570 0.267 0.000 2.436 241 I HA 0.262 4.447 4.170 0.026 0.000 0.289 241 I C -0.956 175.390 176.117 0.383 0.000 1.010 241 I CA -0.836 60.628 61.300 0.274 0.000 1.098 241 I CB 2.227 40.340 38.000 0.188 0.000 1.266 241 I HN 0.212 nan 8.210 nan 0.000 0.434 242 L N 7.600 129.014 121.223 0.319 0.000 2.272 242 L HA 0.468 4.823 4.340 0.026 0.000 0.289 242 L C -1.040 175.981 176.870 0.251 0.000 1.032 242 L CA -0.315 54.671 54.840 0.243 0.000 0.810 242 L CB 1.027 43.201 42.059 0.192 0.000 1.205 242 L HN 0.383 nan 8.230 nan 0.000 0.422 243 L N 7.103 128.455 121.223 0.214 0.000 2.276 243 L HA 0.424 4.779 4.340 0.026 0.000 0.286 243 L C -0.733 176.244 176.870 0.178 0.000 1.024 243 L CA -0.189 54.745 54.840 0.156 0.000 0.826 243 L CB 0.576 42.727 42.059 0.153 0.000 1.211 243 L HN 0.537 nan 8.230 nan 0.000 0.422 244 Y N 1.055 121.379 120.300 0.041 0.000 2.446 244 Y HA 0.999 5.557 4.550 0.013 0.000 0.338 244 Y C 0.398 176.313 175.900 0.024 0.000 1.055 244 Y CA -1.108 57.005 58.100 0.022 0.000 1.101 244 Y CB 1.977 40.442 38.460 0.007 0.000 1.221 244 Y HN 0.651 nan 8.280 nan 0.000 0.460 245 G N 1.786 110.660 108.800 0.123 0.000 2.328 245 G HA2 0.373 4.348 3.960 0.026 0.000 0.299 245 G HA3 0.373 4.348 3.960 0.026 0.000 0.299 245 G C -3.508 171.424 174.900 0.053 0.000 1.435 245 G CA -1.385 43.742 45.100 0.045 0.000 0.865 245 G HN 0.468 nan 8.290 nan 0.000 0.601 246 P HA 0.285 nan 4.420 nan 0.000 0.272 246 P C -2.452 174.858 177.300 0.016 0.000 1.248 246 P CA -0.669 62.443 63.100 0.019 0.000 0.799 246 P CB 0.101 31.803 31.700 0.003 0.000 0.997 247 P HA 0.186 nan 4.420 nan 0.000 0.278 247 P C 0.536 177.837 177.300 0.002 0.000 1.238 247 P CA 0.639 63.745 63.100 0.010 0.000 0.794 247 P CB 0.276 31.977 31.700 0.001 0.000 0.955 248 G N 1.285 110.093 108.800 0.012 0.000 2.143 248 G HA2 -0.270 3.706 3.960 0.026 0.000 0.249 248 G HA3 -0.270 3.706 3.960 0.026 0.000 0.249 248 G C 1.049 175.950 174.900 0.002 0.000 0.981 248 G CA 0.536 45.638 45.100 0.003 0.000 0.665 248 G HN 0.499 nan 8.290 nan 0.000 0.528 249 T N -0.166 114.393 114.554 0.008 0.000 3.085 249 T HA 0.371 4.736 4.350 0.026 0.000 0.263 249 T C 2.102 176.804 174.700 0.003 0.000 1.127 249 T CA 2.241 64.342 62.100 0.002 0.000 1.103 249 T CB -0.306 68.560 68.868 -0.003 0.000 0.921 249 T HN 2.044 nan 8.240 nan 0.000 0.510 250 G N 1.220 110.027 108.800 0.011 0.000 2.163 250 G HA2 -0.212 3.763 3.960 0.026 0.000 0.213 250 G HA3 -0.212 3.763 3.960 0.026 0.000 0.213 250 G C 0.871 175.759 174.900 -0.021 0.000 0.991 250 G CA 0.371 45.471 45.100 0.001 0.000 0.653 250 G HN 0.467 nan 8.290 nan 0.000 0.518 251 K N -0.043 120.362 120.400 0.009 0.000 2.009 251 K HA -0.067 4.269 4.320 0.026 0.000 0.210 251 K C 2.546 179.054 176.600 -0.153 0.000 1.049 251 K CA 1.908 58.196 56.287 0.003 0.000 0.929 251 K CB -0.446 32.142 32.500 0.147 0.000 0.714 251 K HN 0.319 nan 8.250 nan 0.000 0.440 252 T N 2.331 116.857 114.554 -0.047 0.000 2.684 252 T HA -0.155 4.211 4.350 0.026 0.000 0.267 252 T C 1.811 176.334 174.700 -0.294 0.000 1.036 252 T CA 1.315 63.285 62.100 -0.217 0.000 1.148 252 T CB -0.336 68.633 68.868 0.167 0.000 0.863 252 T HN 0.117 nan 8.240 nan 0.000 0.436 253 L N 1.132 122.269 121.223 -0.143 0.000 2.013 253 L HA -0.078 4.278 4.340 0.026 0.000 0.212 253 L C 2.194 178.955 176.870 -0.182 0.000 1.073 253 L CA 1.630 56.389 54.840 -0.136 0.000 0.753 253 L CB -0.748 41.278 42.059 -0.054 0.000 0.890 253 L HN 0.290 nan 8.230 nan 0.000 0.432 254 I N -0.393 120.083 120.570 -0.158 0.000 2.127 254 I HA -0.349 3.836 4.170 0.026 0.000 0.241 254 I C 2.637 178.644 176.117 -0.184 0.000 1.075 254 I CA 1.417 62.645 61.300 -0.121 0.000 1.334 254 I CB -0.754 37.192 38.000 -0.090 0.000 1.040 254 I HN 0.424 nan 8.210 nan 0.000 0.405 255 A N 0.651 123.270 122.820 -0.335 0.000 1.917 255 A HA -0.292 4.043 4.320 0.026 0.000 0.219 255 A C 2.317 179.638 177.584 -0.440 0.000 1.182 255 A CA 2.268 54.098 52.037 -0.345 0.000 0.633 255 A CB -0.585 17.976 19.000 -0.732 0.000 0.819 255 A HN 0.340 nan 8.150 nan 0.000 0.448 256 R N -0.144 119.941 120.500 -0.692 0.000 2.090 256 R HA 0.123 4.478 4.340 0.026 0.000 0.228 256 R C 2.100 178.045 176.300 -0.592 0.000 1.110 256 R CA 1.672 57.129 56.100 -1.071 0.000 0.973 256 R CB -0.761 29.035 30.300 -0.841 0.000 0.869 256 R HN 0.368 nan 8.270 nan 0.000 0.440 257 A N -0.184 122.424 122.820 -0.353 0.000 1.930 257 A HA -0.048 4.288 4.320 0.026 0.000 0.217 257 A C 2.198 179.639 177.584 -0.237 0.000 1.175 257 A CA 1.594 53.480 52.037 -0.252 0.000 0.627 257 A CB -0.548 18.399 19.000 -0.088 0.000 0.815 257 A HN 0.172 nan 8.150 nan 0.000 0.443 258 V N -0.155 119.722 119.914 -0.062 0.000 2.427 258 V HA -0.200 3.935 4.120 0.026 0.000 0.248 258 V C 2.990 179.059 176.094 -0.042 0.000 1.051 258 V CA 1.732 64.080 62.300 0.080 0.000 1.048 258 V CB -1.248 30.641 31.823 0.110 0.000 0.666 258 V HN 0.607 nan 8.190 nan 0.000 0.456 259 A N 0.994 123.742 122.820 -0.119 0.000 1.845 259 A HA -0.214 4.121 4.320 0.026 0.000 0.215 259 A C 2.104 179.623 177.584 -0.108 0.000 1.195 259 A CA 2.076 54.072 52.037 -0.068 0.000 0.616 259 A CB -0.734 18.223 19.000 -0.072 0.000 0.832 259 A HN 0.585 nan 8.150 nan 0.000 0.443 260 N N 0.015 118.592 118.700 -0.205 0.000 2.043 260 N HA -0.179 4.577 4.740 0.026 0.000 0.193 260 N C 1.521 176.916 175.510 -0.192 0.000 1.037 260 N CA 1.686 54.626 53.050 -0.184 0.000 0.851 260 N CB -0.734 37.617 38.487 -0.227 0.000 1.027 260 N HN 0.575 nan 8.380 nan 0.000 0.422 261 E N -0.132 119.883 120.200 -0.308 0.000 2.455 261 E HA -0.093 4.272 4.350 0.026 0.000 0.202 261 E C 0.720 177.219 176.600 -0.169 0.000 1.045 261 E CA 1.054 57.230 56.400 -0.374 0.000 0.872 261 E CB -0.137 28.999 29.700 -0.940 0.000 0.792 261 E HN 0.587 nan 8.360 nan 0.000 0.542 262 T N -5.529 108.969 114.554 -0.094 0.000 3.209 262 T HA 0.310 4.675 4.350 0.026 0.000 0.295 262 T C 1.167 175.854 174.700 -0.023 0.000 0.977 262 T CA 0.046 62.127 62.100 -0.033 0.000 0.922 262 T CB 0.511 69.383 68.868 0.007 0.000 1.152 262 T HN 0.135 nan 8.240 nan 0.000 0.527 263 G N 1.485 110.265 108.800 -0.033 0.000 2.341 263 G HA2 0.010 3.985 3.960 0.026 0.000 0.292 263 G HA3 0.010 3.985 3.960 0.026 0.000 0.292 263 G C 0.307 175.232 174.900 0.041 0.000 1.021 263 G CA 0.091 45.189 45.100 -0.003 0.000 0.905 263 G HN 1.273 nan 8.290 nan 0.000 0.508 264 A N -0.693 122.160 122.820 0.055 0.000 2.282 264 A HA 0.784 5.119 4.320 0.026 0.000 0.319 264 A C -0.003 177.696 177.584 0.191 0.000 1.121 264 A CA -0.681 51.428 52.037 0.120 0.000 0.836 264 A CB 0.880 19.946 19.000 0.110 0.000 1.146 264 A HN 1.245 nan 8.150 nan 0.000 0.494 265 F N 1.011 121.019 119.950 0.096 0.000 2.484 265 F HA 0.489 5.031 4.527 0.026 0.000 0.360 265 F C -0.692 175.229 175.800 0.203 0.000 1.101 265 F CA -0.487 57.587 58.000 0.123 0.000 1.251 265 F CB 0.380 39.438 39.000 0.097 0.000 1.132 265 F HN 0.389 nan 8.300 nan 0.000 0.570 266 F N 8.178 127.687 119.950 -0.735 0.000 2.477 266 F HA 0.460 5.002 4.527 0.024 0.000 0.335 266 F C -1.965 173.408 175.800 -0.713 0.000 1.130 266 F CA -1.208 56.488 58.000 -0.507 0.000 0.948 266 F CB 0.771 39.599 39.000 -0.286 0.000 1.154 266 F HN 0.342 nan 8.300 nan 0.000 0.439 267 F N 7.492 126.780 119.950 -1.102 0.000 2.482 267 F HA 0.652 5.194 4.527 0.025 0.000 0.331 267 F C -1.876 173.451 175.800 -0.789 0.000 1.115 267 F CA -1.257 56.285 58.000 -0.764 0.000 0.955 267 F CB 1.511 40.304 39.000 -0.346 0.000 1.136 267 F HN 0.398 nan 8.300 nan 0.000 0.452 268 L N 7.187 128.223 121.223 -0.311 0.000 2.313 268 L HA 0.636 4.991 4.340 0.026 0.000 0.283 268 L C -1.307 175.650 176.870 0.144 0.000 1.013 268 L CA -0.238 54.541 54.840 -0.102 0.000 0.816 268 L CB 1.068 43.087 42.059 -0.066 0.000 1.236 268 L HN 0.528 nan 8.230 nan 0.000 0.419 269 I N 5.057 125.679 120.570 0.086 0.000 2.406 269 I HA 0.385 4.570 4.170 0.026 0.000 0.290 269 I C -0.511 175.589 176.117 -0.028 0.000 0.999 269 I CA -0.549 60.793 61.300 0.069 0.000 1.124 269 I CB 1.601 39.615 38.000 0.022 0.000 1.289 269 I HN 0.580 nan 8.210 nan 0.000 0.441 270 N N 4.103 122.802 118.700 -0.002 0.000 2.392 270 N HA 0.250 5.005 4.740 0.026 0.000 0.283 270 N C 0.855 176.346 175.510 -0.033 0.000 1.003 270 N CA -0.037 52.996 53.050 -0.029 0.000 0.892 270 N CB 2.422 40.911 38.487 0.003 0.000 1.193 270 N HN 0.812 nan 8.380 nan 0.000 0.487 271 G N 4.638 113.402 108.800 -0.060 0.000 2.599 271 G HA2 -0.240 3.735 3.960 0.026 0.000 0.219 271 G HA3 -0.240 3.735 3.960 0.026 0.000 0.219 271 G C -1.023 173.859 174.900 -0.030 0.000 1.193 271 G CA 0.955 46.024 45.100 -0.051 0.000 0.778 271 G HN 0.524 nan 8.290 nan 0.000 0.589 272 P HA -0.056 nan 4.420 nan 0.000 0.215 272 P C 1.619 178.915 177.300 -0.006 0.000 1.153 272 P CA 1.599 64.690 63.100 -0.015 0.000 0.853 272 P CB 0.017 31.710 31.700 -0.011 0.000 0.788 273 E N -0.229 119.971 120.200 -0.000 0.000 2.033 273 E HA -0.200 4.165 4.350 0.026 0.000 0.199 273 E C 1.949 178.555 176.600 0.010 0.000 1.011 273 E CA 1.421 57.827 56.400 0.009 0.000 0.815 273 E CB -1.082 28.629 29.700 0.018 0.000 0.755 273 E HN -0.014 nan 8.360 nan 0.000 0.451 274 I N 0.314 120.889 120.570 0.009 0.000 2.208 274 I HA -0.236 3.949 4.170 0.026 0.000 0.245 274 I C 1.871 177.989 176.117 0.001 0.000 1.097 274 I CA 1.283 62.589 61.300 0.009 0.000 1.363 274 I CB -0.824 37.178 38.000 0.003 0.000 1.051 274 I HN 0.319 nan 8.210 nan 0.000 0.413 275 M N 0.008 119.604 119.600 -0.006 0.000 2.618 275 M HA 0.020 4.515 4.480 0.026 0.000 0.240 275 M C 2.152 178.450 176.300 -0.005 0.000 1.123 275 M CA 0.591 55.885 55.300 -0.009 0.000 1.060 275 M CB -1.240 31.350 32.600 -0.018 0.000 1.535 275 M HN 0.297 nan 8.290 nan 0.000 0.507 276 S N -0.912 114.787 115.700 -0.001 0.000 2.478 276 S HA 0.090 4.575 4.470 0.026 0.000 0.222 276 S C 1.056 175.658 174.600 0.004 0.000 1.008 276 S CA -0.039 58.161 58.200 0.001 0.000 0.928 276 S CB 0.312 63.514 63.200 0.003 0.000 0.781 276 S HN 0.188 nan 8.310 nan 0.000 0.518 277 K N 1.094 121.498 120.400 0.006 0.000 2.118 277 K HA 0.378 4.713 4.320 0.026 0.000 0.240 277 K C -0.171 176.432 176.600 0.005 0.000 1.035 277 K CA -0.830 55.462 56.287 0.008 0.000 0.899 277 K CB 0.117 32.624 32.500 0.012 0.000 1.085 277 K HN 0.239 nan 8.250 nan 0.000 0.498 278 L N 1.151 122.378 121.223 0.006 0.000 2.418 278 L HA 0.186 4.542 4.340 0.026 0.000 0.265 278 L C 1.354 178.226 176.870 0.003 0.000 1.143 278 L CA 0.560 55.403 54.840 0.004 0.000 0.809 278 L CB 0.708 42.770 42.059 0.005 0.000 1.124 278 L HN 0.804 nan 8.230 nan 0.000 0.456 279 A N 3.846 126.667 122.820 0.002 0.000 1.882 279 A HA -0.248 4.087 4.320 0.026 0.000 0.220 279 A C 1.930 179.512 177.584 -0.002 0.000 1.253 279 A CA 2.466 54.502 52.037 -0.001 0.000 0.664 279 A CB -1.774 17.225 19.000 -0.001 0.000 0.838 279 A HN 1.037 nan 8.150 nan 0.000 0.460 280 G N -0.997 107.802 108.800 -0.001 0.000 2.418 280 G HA2 -0.236 3.740 3.960 0.026 0.000 0.217 280 G HA3 -0.236 3.740 3.960 0.026 0.000 0.217 280 G C 1.422 176.322 174.900 0.000 0.000 1.158 280 G CA 1.496 46.594 45.100 -0.002 0.000 0.771 280 G HN 0.632 nan 8.290 nan 0.000 0.545 281 E N 1.158 121.360 120.200 0.004 0.000 2.085 281 E HA -0.109 4.256 4.350 0.026 0.000 0.194 281 E C 2.710 179.316 176.600 0.011 0.000 0.994 281 E CA 1.596 58.002 56.400 0.010 0.000 0.801 281 E CB -0.529 29.178 29.700 0.012 0.000 0.743 281 E HN 0.304 nan 8.360 nan 0.000 0.453 282 S N 0.353 116.057 115.700 0.008 0.000 2.359 282 S HA -0.232 4.253 4.470 0.026 0.000 0.223 282 S C 1.852 176.454 174.600 0.003 0.000 1.039 282 S CA 1.624 59.828 58.200 0.007 0.000 1.042 282 S CB -0.447 62.753 63.200 0.001 0.000 0.915 282 S HN 0.374 nan 8.310 nan 0.000 0.439 283 E N 0.957 121.153 120.200 -0.007 0.000 2.038 283 E HA -0.146 4.220 4.350 0.026 0.000 0.195 283 E C 2.335 178.926 176.600 -0.014 0.000 1.000 283 E CA 1.283 57.671 56.400 -0.019 0.000 0.803 283 E CB -0.336 29.349 29.700 -0.025 0.000 0.750 283 E HN 0.425 nan 8.360 nan 0.000 0.448 284 S N 0.887 116.585 115.700 -0.004 0.000 2.393 284 S HA -0.317 4.168 4.470 0.026 0.000 0.235 284 S C 1.815 176.424 174.600 0.015 0.000 1.061 284 S CA 2.002 60.204 58.200 0.004 0.000 1.129 284 S CB -0.464 62.742 63.200 0.011 0.000 1.011 284 S HN 0.208 nan 8.310 nan 0.000 0.436 285 N N 1.534 120.250 118.700 0.027 0.000 2.104 285 N HA -0.025 4.731 4.740 0.026 0.000 0.190 285 N C 1.871 177.402 175.510 0.034 0.000 1.024 285 N CA 1.462 54.540 53.050 0.048 0.000 0.853 285 N CB -0.830 37.692 38.487 0.060 0.000 1.008 285 N HN 0.440 nan 8.380 nan 0.000 0.424 286 L N 1.322 122.558 121.223 0.022 0.000 1.970 286 L HA -0.201 4.155 4.340 0.026 0.000 0.212 286 L C 2.532 179.426 176.870 0.040 0.000 1.071 286 L CA 1.564 56.423 54.840 0.031 0.000 0.751 286 L CB -0.431 41.621 42.059 -0.012 0.000 0.889 286 L HN 0.310 nan 8.230 nan 0.000 0.432 287 R N 0.155 120.643 120.500 -0.020 0.000 2.152 287 R HA -0.201 4.154 4.340 0.026 0.000 0.232 287 R C 2.133 178.447 176.300 0.024 0.000 1.117 287 R CA 1.238 57.325 56.100 -0.021 0.000 0.981 287 R CB -0.520 29.748 30.300 -0.052 0.000 0.870 287 R HN 0.336 nan 8.270 nan 0.000 0.451 288 K N 1.438 121.844 120.400 0.011 0.000 2.057 288 K HA -0.078 4.257 4.320 0.026 0.000 0.206 288 K C 2.115 178.660 176.600 -0.091 0.000 1.050 288 K CA 1.296 57.589 56.287 0.010 0.000 0.935 288 K CB -0.142 32.392 32.500 0.055 0.000 0.715 288 K HN 0.258 nan 8.250 nan 0.000 0.439 289 A N 0.798 123.463 122.820 -0.258 0.000 1.877 289 A HA -0.137 4.198 4.320 0.026 0.000 0.216 289 A C 1.943 179.178 177.584 -0.581 0.000 1.186 289 A CA 1.337 52.804 52.037 -0.950 0.000 0.620 289 A CB -0.828 17.641 19.000 -0.885 0.000 0.822 289 A HN 0.337 nan 8.150 nan 0.000 0.443 290 F N 0.045 119.793 119.950 -0.337 0.000 2.171 290 F HA -0.102 4.440 4.527 0.025 0.000 0.300 290 F C 2.345 178.069 175.800 -0.126 0.000 1.090 290 F CA 1.591 59.477 58.000 -0.190 0.000 1.293 290 F CB -0.307 38.618 39.000 -0.126 0.000 1.013 290 F HN 0.442 nan 8.300 nan 0.000 0.486 291 E N 0.395 120.630 120.200 0.059 0.000 2.017 291 E HA -0.264 4.101 4.350 0.026 0.000 0.193 291 E C 2.218 178.822 176.600 0.007 0.000 0.997 291 E CA 1.457 57.875 56.400 0.030 0.000 0.804 291 E CB -0.280 29.435 29.700 0.025 0.000 0.757 291 E HN 0.465 nan 8.360 nan 0.000 0.448 292 E N -0.251 119.958 120.200 0.015 0.000 2.118 292 E HA -0.231 4.134 4.350 0.026 0.000 0.195 292 E C 1.900 178.530 176.600 0.051 0.000 0.992 292 E CA 0.919 57.362 56.400 0.073 0.000 0.804 292 E CB -0.117 29.762 29.700 0.299 0.000 0.741 292 E HN 0.372 nan 8.360 nan 0.000 0.458 293 A N 1.196 124.059 122.820 0.071 0.000 1.858 293 A HA -0.244 4.091 4.320 0.026 0.000 0.216 293 A C 2.046 179.654 177.584 0.040 0.000 1.190 293 A CA 1.872 53.996 52.037 0.144 0.000 0.617 293 A CB -0.614 18.362 19.000 -0.039 0.000 0.827 293 A HN 0.269 nan 8.150 nan 0.000 0.443 294 E N 0.512 120.712 120.200 -0.001 0.000 2.153 294 E HA -0.170 4.196 4.350 0.026 0.000 0.194 294 E C 1.814 178.399 176.600 -0.025 0.000 0.988 294 E CA 1.814 58.212 56.400 -0.004 0.000 0.811 294 E CB -0.312 29.388 29.700 -0.001 0.000 0.746 294 E HN 0.641 nan 8.360 nan 0.000 0.466 295 K N -0.090 120.276 120.400 -0.056 0.000 2.097 295 K HA -0.019 4.316 4.320 0.026 0.000 0.206 295 K C 0.989 177.514 176.600 -0.125 0.000 1.049 295 K CA 1.313 57.552 56.287 -0.080 0.000 0.933 295 K CB -0.077 32.370 32.500 -0.090 0.000 0.717 295 K HN 0.206 nan 8.250 nan 0.000 0.442 296 N N 0.889 119.447 118.700 -0.237 0.000 2.279 296 N HA 0.119 4.874 4.740 0.026 0.000 0.226 296 N C -0.386 175.085 175.510 -0.064 0.000 1.126 296 N CA -0.171 52.710 53.050 -0.281 0.000 0.846 296 N CB 0.767 38.772 38.487 -0.804 0.000 1.050 296 N HN 0.081 nan 8.380 nan 0.000 0.502 297 A N 2.152 124.989 122.820 0.028 0.000 2.492 297 A HA 0.230 4.565 4.320 0.026 0.000 0.236 297 A C -1.968 175.694 177.584 0.130 0.000 1.078 297 A CA -0.490 51.624 52.037 0.129 0.000 0.773 297 A CB -0.348 18.751 19.000 0.165 0.000 1.023 297 A HN 0.027 nan 8.150 nan 0.000 0.504 298 P HA 0.429 nan 4.420 nan 0.000 0.268 298 P C -0.454 176.955 177.300 0.182 0.000 1.205 298 P CA 0.541 63.728 63.100 0.146 0.000 0.771 298 P CB 1.015 32.755 31.700 0.066 0.000 0.858 299 A N 2.906 125.837 122.820 0.186 0.000 2.566 299 A HA 0.796 5.131 4.320 0.026 0.000 0.292 299 A C -1.253 176.417 177.584 0.144 0.000 1.112 299 A CA -0.627 51.553 52.037 0.238 0.000 0.707 299 A CB 1.238 20.447 19.000 0.348 0.000 1.302 299 A HN 0.435 nan 8.150 nan 0.000 0.409 300 I N 1.540 122.193 120.570 0.138 0.000 2.439 300 I HA 0.335 4.521 4.170 0.026 0.000 0.285 300 I C -1.028 175.092 176.117 0.004 0.000 1.021 300 I CA -0.189 61.179 61.300 0.115 0.000 1.091 300 I CB 1.604 39.745 38.000 0.236 0.000 1.242 300 I HN 0.477 nan 8.210 nan 0.000 0.439 301 I N 6.038 126.572 120.570 -0.060 0.000 2.331 301 I HA 0.257 4.443 4.170 0.026 0.000 0.292 301 I C -0.798 175.329 176.117 0.017 0.000 0.998 301 I CA -0.437 60.765 61.300 -0.163 0.000 1.267 301 I CB 1.230 38.983 38.000 -0.413 0.000 1.386 301 I HN 0.389 nan 8.210 nan 0.000 0.476 302 F N 8.257 128.078 119.950 -0.214 0.000 2.427 302 F HA 0.538 5.079 4.527 0.024 0.000 0.348 302 F C -0.393 175.396 175.800 -0.017 0.000 1.125 302 F CA -0.979 56.993 58.000 -0.046 0.000 0.989 302 F CB 0.808 39.849 39.000 0.069 0.000 1.165 302 F HN 0.198 nan 8.300 nan 0.000 0.442 303 I N 5.525 125.756 120.570 -0.564 0.000 2.291 303 I HA 0.153 4.339 4.170 0.026 0.000 0.290 303 I C -0.500 175.058 176.117 -0.932 0.000 1.050 303 I CA -0.516 60.474 61.300 -0.518 0.000 1.245 303 I CB 0.678 38.535 38.000 -0.239 0.000 1.405 303 I HN 0.454 nan 8.210 nan 0.000 0.478 304 D N 6.492 126.428 120.400 -0.775 0.000 2.249 304 D HA 0.136 4.791 4.640 0.026 0.000 0.246 304 D C 0.058 176.208 176.300 -0.250 0.000 1.114 304 D CA 0.146 53.814 54.000 -0.555 0.000 0.854 304 D CB 0.725 41.411 40.800 -0.189 0.000 1.132 304 D HN 0.534 nan 8.370 nan 0.000 0.461 305 E N 1.684 121.781 120.200 -0.172 0.000 2.264 305 E HA -0.218 4.147 4.350 0.026 0.000 0.223 305 E C 0.601 177.124 176.600 -0.127 0.000 1.220 305 E CA -0.102 56.235 56.400 -0.105 0.000 0.692 305 E CB -0.807 28.853 29.700 -0.066 0.000 1.203 305 E HN 0.482 nan 8.360 nan 0.000 0.384 306 L N 1.073 122.197 121.223 -0.165 0.000 2.131 306 L HA -0.154 4.201 4.340 0.026 0.000 0.210 306 L C 1.785 178.577 176.870 -0.131 0.000 1.092 306 L CA 2.762 57.496 54.840 -0.176 0.000 0.759 306 L CB -0.132 41.773 42.059 -0.255 0.000 0.903 306 L HN 0.411 nan 8.230 nan 0.000 0.435 307 D N -0.581 119.754 120.400 -0.108 0.000 2.310 307 D HA -0.127 4.528 4.640 0.026 0.000 0.212 307 D C 1.898 178.153 176.300 -0.075 0.000 0.965 307 D CA 1.007 54.955 54.000 -0.086 0.000 0.879 307 D CB -0.388 40.370 40.800 -0.069 0.000 0.921 307 D HN 0.394 nan 8.370 nan 0.000 0.510 308 A N 0.020 122.796 122.820 -0.073 0.000 2.067 308 A HA 0.123 4.458 4.320 0.026 0.000 0.217 308 A C 2.142 179.690 177.584 -0.059 0.000 1.156 308 A CA 0.577 52.576 52.037 -0.062 0.000 0.683 308 A CB -0.382 18.585 19.000 -0.055 0.000 0.808 308 A HN 0.318 nan 8.150 nan 0.000 0.455 309 I N -1.770 118.762 120.570 -0.064 0.000 3.039 309 I HA 0.142 4.327 4.170 0.026 0.000 0.270 309 I C 1.266 177.352 176.117 -0.052 0.000 1.150 309 I CA 0.742 62.010 61.300 -0.053 0.000 1.448 309 I CB 0.276 38.246 38.000 -0.051 0.000 1.197 309 I HN 0.215 nan 8.210 nan 0.000 0.450 310 A N 2.299 125.080 122.820 -0.065 0.000 2.938 310 A HA 0.548 4.883 4.320 0.026 0.000 0.344 310 A C -2.574 174.972 177.584 -0.064 0.000 1.142 310 A CA -1.318 50.684 52.037 -0.058 0.000 0.841 310 A CB -0.464 18.500 19.000 -0.059 0.000 1.083 310 A HN -0.047 nan 8.150 nan 0.000 0.479 311 P HA 0.195 nan 4.420 nan 0.000 0.273 311 P C 0.235 177.506 177.300 -0.049 0.000 1.250 311 P CA -0.463 62.601 63.100 -0.061 0.000 0.793 311 P CB 0.577 32.236 31.700 -0.069 0.000 1.011 312 K N 0.971 121.343 120.400 -0.046 0.000 2.457 312 K HA -0.089 4.246 4.320 0.026 0.000 0.269 312 K C 1.497 178.083 176.600 -0.023 0.000 0.969 312 K CA 0.846 57.111 56.287 -0.036 0.000 0.921 312 K CB 0.135 32.614 32.500 -0.035 0.000 0.940 312 K HN 0.272 nan 8.250 nan 0.000 0.517 313 R N 1.382 121.871 120.500 -0.017 0.000 2.134 313 R HA -0.215 4.141 4.340 0.026 0.000 0.248 313 R C 0.496 176.800 176.300 0.006 0.000 1.143 313 R CA 2.237 58.333 56.100 -0.007 0.000 0.957 313 R CB -0.415 29.881 30.300 -0.008 0.000 0.867 313 R HN 0.588 nan 8.270 nan 0.000 0.441 314 E N 0.517 120.722 120.200 0.007 0.000 2.338 314 E HA 0.080 4.445 4.350 0.026 0.000 0.231 314 E C 0.045 176.670 176.600 0.041 0.000 1.231 314 E CA 0.007 56.422 56.400 0.026 0.000 1.490 314 E CB 0.644 30.355 29.700 0.019 0.000 1.360 314 E HN 0.099 nan 8.360 nan 0.000 0.435 315 K N -0.453 119.965 120.400 0.029 0.000 2.477 315 K HA 0.070 4.405 4.320 0.026 0.000 0.208 315 K C 0.220 176.829 176.600 0.015 0.000 1.117 315 K CA 0.060 56.341 56.287 -0.011 0.000 1.039 315 K CB 0.463 32.925 32.500 -0.064 0.000 0.937 315 K HN 0.226 nan 8.250 nan 0.000 0.570 316 T N -0.398 114.211 114.554 0.092 0.000 2.853 316 T HA 0.139 4.505 4.350 0.026 0.000 0.298 316 T C 0.480 175.357 174.700 0.294 0.000 0.978 316 T CA 0.301 62.470 62.100 0.115 0.000 1.152 316 T CB 0.572 69.478 68.868 0.064 0.000 0.914 316 T HN 0.099 nan 8.240 nan 0.000 0.539 317 H N 1.368 120.430 119.070 -0.014 0.000 3.058 317 H HA 0.508 5.079 4.556 0.026 0.000 0.266 317 H C 0.959 176.281 175.328 -0.011 0.000 1.135 317 H CA 0.302 56.343 56.048 -0.012 0.000 1.174 317 H CB 0.762 30.517 29.762 -0.012 0.000 1.581 317 H HN 1.159 nan 8.280 nan 0.000 0.553 318 G N -0.438 108.411 108.800 0.082 0.000 2.340 318 G HA2 -0.003 3.972 3.960 0.026 0.000 0.300 318 G HA3 -0.003 3.972 3.960 0.026 0.000 0.300 318 G C 0.289 175.203 174.900 0.022 0.000 1.488 318 G CA -0.216 44.905 45.100 0.035 0.000 0.878 318 G HN 0.109 nan 8.290 nan 0.000 0.618 319 E N -0.545 119.661 120.200 0.009 0.000 2.301 319 E HA -0.196 4.170 4.350 0.026 0.000 0.202 319 E C 1.555 178.157 176.600 0.004 0.000 1.017 319 E CA 2.256 58.658 56.400 0.004 0.000 0.831 319 E CB 0.000 29.700 29.700 -0.001 0.000 0.742 319 E HN 0.286 nan 8.360 nan 0.000 0.491 320 V N 0.887 120.806 119.914 0.008 0.000 2.575 320 V HA -0.094 4.042 4.120 0.026 0.000 0.242 320 V C 2.196 178.293 176.094 0.005 0.000 1.045 320 V CA 1.250 63.553 62.300 0.005 0.000 1.065 320 V CB -0.078 31.750 31.823 0.007 0.000 0.717 320 V HN 0.200 nan 8.190 nan 0.000 0.467 321 E N 1.215 121.424 120.200 0.014 0.000 2.012 321 E HA -0.243 4.123 4.350 0.026 0.000 0.197 321 E C 2.296 178.897 176.600 0.002 0.000 1.007 321 E CA 1.447 57.853 56.400 0.010 0.000 0.816 321 E CB -0.601 29.117 29.700 0.029 0.000 0.762 321 E HN 0.456 nan 8.360 nan 0.000 0.451 322 R N 1.658 122.163 120.500 0.008 0.000 2.285 322 R HA -0.054 4.302 4.340 0.026 0.000 0.213 322 R C 1.962 178.258 176.300 -0.007 0.000 1.068 322 R CA 0.886 56.986 56.100 0.001 0.000 1.004 322 R CB -0.211 30.092 30.300 0.005 0.000 0.873 322 R HN 0.047 nan 8.270 nan 0.000 0.467 323 R N 0.360 120.856 120.500 -0.007 0.000 2.119 323 R HA 0.086 4.441 4.340 0.026 0.000 0.222 323 R C 2.189 178.478 176.300 -0.019 0.000 1.088 323 R CA 0.837 56.930 56.100 -0.012 0.000 0.984 323 R CB -0.012 30.282 30.300 -0.010 0.000 0.884 323 R HN 0.261 nan 8.270 nan 0.000 0.447 324 I N -0.018 120.542 120.570 -0.017 0.000 2.277 324 I HA -0.204 3.981 4.170 0.026 0.000 0.243 324 I C 2.100 178.201 176.117 -0.027 0.000 1.094 324 I CA 0.758 62.044 61.300 -0.022 0.000 1.393 324 I CB -0.155 37.835 38.000 -0.018 0.000 1.078 324 I HN -0.023 nan 8.210 nan 0.000 0.417 325 V N 0.437 120.337 119.914 -0.022 0.000 2.332 325 V HA -0.297 3.838 4.120 0.026 0.000 0.248 325 V C 2.574 178.654 176.094 -0.023 0.000 1.055 325 V CA 2.184 64.472 62.300 -0.020 0.000 1.038 325 V CB -0.820 30.993 31.823 -0.017 0.000 0.651 325 V HN 0.366 nan 8.190 nan 0.000 0.450 326 S N -0.530 115.155 115.700 -0.025 0.000 2.359 326 S HA -0.331 4.155 4.470 0.026 0.000 0.224 326 S C 2.045 176.616 174.600 -0.049 0.000 1.035 326 S CA 2.024 60.206 58.200 -0.030 0.000 1.018 326 S CB -0.404 62.781 63.200 -0.026 0.000 0.876 326 S HN 0.655 nan 8.310 nan 0.000 0.448 327 Q N 1.171 120.938 119.800 -0.056 0.000 2.096 327 Q HA -0.085 4.270 4.340 0.026 0.000 0.204 327 Q C 2.011 177.932 176.000 -0.131 0.000 0.982 327 Q CA 1.416 57.168 55.803 -0.086 0.000 0.850 327 Q CB -0.647 28.048 28.738 -0.072 0.000 0.901 327 Q HN 0.480 nan 8.270 nan 0.000 0.422 328 L N -0.602 120.563 121.223 -0.097 0.000 2.093 328 L HA -0.052 4.304 4.340 0.026 0.000 0.208 328 L C 1.956 178.770 176.870 -0.093 0.000 1.085 328 L CA 1.511 56.290 54.840 -0.102 0.000 0.755 328 L CB -0.345 41.712 42.059 -0.004 0.000 0.904 328 L HN 0.359 nan 8.230 nan 0.000 0.435 329 L N -1.217 119.977 121.223 -0.048 0.000 2.056 329 L HA -0.178 4.177 4.340 0.026 0.000 0.207 329 L C 2.364 179.184 176.870 -0.082 0.000 1.078 329 L CA 1.690 56.512 54.840 -0.030 0.000 0.749 329 L CB -1.081 40.971 42.059 -0.012 0.000 0.901 329 L HN 0.256 nan 8.230 nan 0.000 0.433 330 T N 0.409 114.901 114.554 -0.105 0.000 2.684 330 T HA -0.199 4.166 4.350 0.026 0.000 0.267 330 T C 1.975 176.566 174.700 -0.181 0.000 1.036 330 T CA 1.349 63.379 62.100 -0.117 0.000 1.148 330 T CB -0.377 68.425 68.868 -0.110 0.000 0.863 330 T HN 0.170 nan 8.240 nan 0.000 0.436 331 L N 0.270 121.308 121.223 -0.308 0.000 2.042 331 L HA -0.122 4.234 4.340 0.026 0.000 0.210 331 L C 2.752 179.377 176.870 -0.408 0.000 1.076 331 L CA 0.989 55.508 54.840 -0.536 0.000 0.749 331 L CB -0.543 40.837 42.059 -1.133 0.000 0.893 331 L HN 0.260 nan 8.230 nan 0.000 0.432 332 M N -1.001 118.436 119.600 -0.271 0.000 2.229 332 M HA -0.164 4.331 4.480 0.026 0.000 0.264 332 M C 1.652 177.905 176.300 -0.078 0.000 1.063 332 M CA 1.474 56.710 55.300 -0.107 0.000 1.114 332 M CB -0.953 31.590 32.600 -0.096 0.000 1.387 332 M HN 0.224 nan 8.290 nan 0.000 0.420 333 D N -0.411 119.941 120.400 -0.081 0.000 2.249 333 D HA 0.023 4.678 4.640 0.026 0.000 0.205 333 D C 1.924 178.198 176.300 -0.043 0.000 0.962 333 D CA 1.043 55.013 54.000 -0.050 0.000 0.860 333 D CB -0.130 40.645 40.800 -0.041 0.000 0.955 333 D HN 0.416 nan 8.370 nan 0.000 0.505 334 G N 0.433 109.197 108.800 -0.060 0.000 2.880 334 G HA2 -0.007 3.969 3.960 0.026 0.000 0.209 334 G HA3 -0.007 3.969 3.960 0.026 0.000 0.209 334 G C 0.616 175.504 174.900 -0.020 0.000 1.157 334 G CA -0.249 44.825 45.100 -0.044 0.000 0.779 334 G HN 0.131 nan 8.290 nan 0.000 0.539 335 L N 1.912 123.133 121.223 -0.003 0.000 2.515 335 L HA 0.341 4.697 4.340 0.026 0.000 0.281 335 L C 0.322 177.192 176.870 0.001 0.000 1.131 335 L CA -0.512 54.351 54.840 0.039 0.000 0.905 335 L CB -0.234 41.890 42.059 0.108 0.000 1.246 335 L HN -0.062 nan 8.230 nan 0.000 0.463 336 K N 3.622 124.014 120.400 -0.013 0.000 2.090 336 K HA 0.207 4.542 4.320 0.026 0.000 0.250 336 K C 0.793 177.363 176.600 -0.050 0.000 1.004 336 K CA -0.606 55.665 56.287 -0.028 0.000 0.919 336 K CB 1.089 33.572 32.500 -0.030 0.000 1.045 336 K HN 0.631 nan 8.250 nan 0.000 0.471 337 Q N 1.352 121.126 119.800 -0.043 0.000 1.921 337 Q HA -0.225 4.130 4.340 0.026 0.000 0.208 337 Q C 1.821 177.752 176.000 -0.115 0.000 0.994 337 Q CA 1.841 57.613 55.803 -0.052 0.000 0.857 337 Q CB -0.266 28.480 28.738 0.013 0.000 0.925 337 Q HN 0.531 nan 8.270 nan 0.000 0.421 338 R N 0.658 121.096 120.500 -0.104 0.000 2.343 338 R HA -0.234 4.121 4.340 0.026 0.000 0.264 338 R C 1.923 177.823 176.300 -0.666 0.000 1.212 338 R CA 1.290 57.245 56.100 -0.242 0.000 1.037 338 R CB -0.790 29.450 30.300 -0.101 0.000 0.874 338 R HN 0.234 nan 8.270 nan 0.000 0.489 339 A N 1.240 123.813 122.820 -0.410 0.000 1.898 339 A HA -0.147 4.189 4.320 0.026 0.000 0.216 339 A C 0.211 177.584 177.584 -0.351 0.000 1.181 339 A CA 1.384 53.221 52.037 -0.333 0.000 0.620 339 A CB -0.365 18.561 19.000 -0.124 0.000 0.819 339 A HN 0.661 nan 8.150 nan 0.000 0.442 340 H N -2.448 116.617 119.070 -0.009 0.000 2.984 340 H HA -0.106 4.465 4.556 0.025 0.000 0.297 340 H C -0.765 174.556 175.328 -0.012 0.000 1.295 340 H CA 0.474 56.512 56.048 -0.016 0.000 1.158 340 H CB -2.625 27.150 29.762 0.021 0.000 1.361 340 H HN 0.293 nan 8.280 nan 0.000 0.416 341 V N 1.419 121.358 119.914 0.043 0.000 2.680 341 V HA 0.568 4.703 4.120 0.026 0.000 0.309 341 V C 0.826 176.911 176.094 -0.015 0.000 1.052 341 V CA -0.668 61.641 62.300 0.014 0.000 0.908 341 V CB 3.092 34.897 31.823 -0.030 0.000 1.001 341 V HN 0.246 nan 8.190 nan 0.000 0.431 342 I N 3.928 124.496 120.570 -0.004 0.000 2.447 342 I HA 0.428 4.613 4.170 0.026 0.000 0.287 342 I C -0.826 175.300 176.117 0.014 0.000 1.023 342 I CA -0.779 60.522 61.300 0.002 0.000 1.083 342 I CB 2.145 40.164 38.000 0.032 0.000 1.245 342 I HN 0.262 nan 8.210 nan 0.000 0.434 343 V N 7.047 126.963 119.914 0.005 0.000 2.350 343 V HA 0.410 4.546 4.120 0.026 0.000 0.276 343 V C 0.302 176.556 176.094 0.267 0.000 1.028 343 V CA -0.319 62.023 62.300 0.071 0.000 0.860 343 V CB 1.319 33.165 31.823 0.039 0.000 0.990 343 V HN 0.660 nan 8.190 nan 0.000 0.453 344 M N 4.062 123.860 119.600 0.331 0.000 2.423 344 M HA 0.798 5.294 4.480 0.026 0.000 0.335 344 M C -0.125 176.433 176.300 0.429 0.000 1.177 344 M CA -0.336 55.226 55.300 0.437 0.000 1.038 344 M CB 2.012 34.887 32.600 0.458 0.000 1.641 344 M HN 0.706 nan 8.290 nan 0.000 0.455 345 A N 1.737 124.734 122.820 0.294 0.000 2.486 345 A HA 0.915 5.250 4.320 0.026 0.000 0.300 345 A C -1.488 176.124 177.584 0.046 0.000 1.048 345 A CA -0.689 51.322 52.037 -0.044 0.000 0.696 345 A CB 1.524 20.290 19.000 -0.391 0.000 1.278 345 A HN 0.869 nan 8.150 nan 0.000 0.405 346 A N 0.752 123.548 122.820 -0.040 0.000 2.342 346 A HA 0.932 5.268 4.320 0.026 0.000 0.323 346 A C -0.117 177.463 177.584 -0.008 0.000 1.125 346 A CA -0.112 51.980 52.037 0.091 0.000 0.785 346 A CB 1.523 20.680 19.000 0.262 0.000 1.221 346 A HN 1.591 nan 8.150 nan 0.000 0.463 347 T N -0.199 114.380 114.554 0.042 0.000 2.787 347 T HA 0.326 4.692 4.350 0.026 0.000 0.297 347 T C 0.607 175.346 174.700 0.066 0.000 1.221 347 T CA -0.381 61.727 62.100 0.013 0.000 1.006 347 T CB 1.062 69.911 68.868 -0.031 0.000 1.328 347 T HN 0.665 nan 8.240 nan 0.000 0.509 348 N N 0.140 118.864 118.700 0.040 0.000 2.250 348 N HA 0.112 4.868 4.740 0.026 0.000 0.181 348 N C 0.488 176.056 175.510 0.097 0.000 1.017 348 N CA 0.373 53.459 53.050 0.060 0.000 0.866 348 N CB 0.212 38.714 38.487 0.025 0.000 0.985 348 N HN 0.509 nan 8.380 nan 0.000 0.429 349 R N -1.099 119.430 120.500 0.048 0.000 2.753 349 R HA 0.178 4.534 4.340 0.026 0.000 0.272 349 R C -2.762 173.470 176.300 -0.113 0.000 1.034 349 R CA -1.144 54.951 56.100 -0.009 0.000 0.869 349 R CB 0.858 31.158 30.300 0.000 0.000 1.264 349 R HN -0.278 nan 8.270 nan 0.000 0.481 350 P HA -0.337 nan 4.420 nan 0.000 0.214 350 P C 0.387 177.611 177.300 -0.127 0.000 1.164 350 P CA 1.881 64.849 63.100 -0.220 0.000 0.942 350 P CB -0.385 31.164 31.700 -0.252 0.000 0.791 351 N N -0.154 118.486 118.700 -0.099 0.000 2.144 351 N HA -0.156 4.600 4.740 0.026 0.000 0.195 351 N C 1.911 177.384 175.510 -0.061 0.000 1.006 351 N CA 1.743 54.752 53.050 -0.068 0.000 0.880 351 N CB -0.768 37.688 38.487 -0.051 0.000 1.018 351 N HN 0.258 nan 8.380 nan 0.000 0.443 352 S N 0.864 116.527 115.700 -0.062 0.000 2.368 352 S HA -0.116 4.369 4.470 0.026 0.000 0.226 352 S C 1.175 175.736 174.600 -0.066 0.000 1.044 352 S CA 0.749 58.915 58.200 -0.057 0.000 1.062 352 S CB -0.129 63.040 63.200 -0.051 0.000 0.931 352 S HN 0.162 nan 8.310 nan 0.000 0.440 353 I N 2.271 122.793 120.570 -0.080 0.000 2.945 353 I HA 0.144 4.329 4.170 0.026 0.000 0.292 353 I C 0.636 176.713 176.117 -0.067 0.000 1.093 353 I CA -1.492 59.756 61.300 -0.086 0.000 1.336 353 I CB 0.024 37.954 38.000 -0.116 0.000 1.435 353 I HN 0.142 nan 8.210 nan 0.000 0.593 354 D N 5.053 125.418 120.400 -0.058 0.000 2.348 354 D HA 0.115 4.771 4.640 0.026 0.000 0.253 354 D C -1.810 174.469 176.300 -0.035 0.000 1.161 354 D CA -1.505 52.471 54.000 -0.039 0.000 0.876 354 D CB 1.753 42.536 40.800 -0.028 0.000 1.160 354 D HN 0.153 nan 8.370 nan 0.000 0.459 355 P HA -0.172 nan 4.420 nan 0.000 0.217 355 P C 0.859 178.143 177.300 -0.026 0.000 1.148 355 P CA 1.436 64.514 63.100 -0.036 0.000 0.834 355 P CB 0.188 31.869 31.700 -0.033 0.000 0.783 356 A N -1.190 121.623 122.820 -0.012 0.000 2.121 356 A HA -0.101 4.234 4.320 0.026 0.000 0.218 356 A C 1.957 179.559 177.584 0.029 0.000 1.154 356 A CA 0.993 53.031 52.037 0.001 0.000 0.679 356 A CB -1.442 17.560 19.000 0.003 0.000 0.795 356 A HN 0.179 nan 8.150 nan 0.000 0.458 357 L N -1.082 120.173 121.223 0.053 0.000 2.552 357 L HA -0.000 4.355 4.340 0.026 0.000 0.227 357 L C 2.172 179.166 176.870 0.207 0.000 1.146 357 L CA 0.398 55.340 54.840 0.170 0.000 0.858 357 L CB -0.129 42.012 42.059 0.136 0.000 0.969 357 L HN 0.310 nan 8.230 nan 0.000 0.451 358 R N -0.351 120.184 120.500 0.059 0.000 2.362 358 R HA 0.106 4.461 4.340 0.026 0.000 0.227 358 R C 0.769 176.990 176.300 -0.131 0.000 0.905 358 R CA -0.300 55.793 56.100 -0.011 0.000 1.067 358 R CB 0.134 30.394 30.300 -0.068 0.000 1.078 358 R HN 0.216 nan 8.270 nan 0.000 0.516 359 R N 0.771 121.221 120.500 -0.083 0.000 2.638 359 R HA -0.106 4.249 4.340 0.026 0.000 0.268 359 R C 0.446 176.684 176.300 -0.104 0.000 1.006 359 R CA 0.118 56.158 56.100 -0.100 0.000 1.088 359 R CB 0.263 30.561 30.300 -0.004 0.000 0.950 359 R HN -0.021 nan 8.270 nan 0.000 0.419 360 F N 2.161 122.119 119.950 0.014 0.000 2.141 360 F HA -0.226 4.314 4.527 0.021 0.000 0.300 360 F C 2.202 177.997 175.800 -0.009 0.000 1.079 360 F CA 1.974 59.979 58.000 0.008 0.000 1.264 360 F CB -0.171 38.834 39.000 0.009 0.000 1.011 360 F HN 0.805 nan 8.300 nan 0.000 0.487 361 G N -0.994 107.890 108.800 0.140 0.000 3.026 361 G HA2 0.126 4.102 3.960 0.026 0.000 0.208 361 G HA3 0.126 4.102 3.960 0.026 0.000 0.208 361 G C 0.980 175.859 174.900 -0.034 0.000 1.169 361 G CA -0.128 45.004 45.100 0.054 0.000 0.788 361 G HN 0.212 nan 8.290 nan 0.000 0.533 362 R N -1.032 119.432 120.500 -0.061 0.000 2.647 362 R HA 0.426 4.781 4.340 0.026 0.000 0.124 362 R C -0.368 175.760 176.300 -0.286 0.000 1.294 362 R CA -0.871 55.113 56.100 -0.194 0.000 1.060 362 R CB -0.071 30.192 30.300 -0.062 0.000 1.282 362 R HN 0.074 nan 8.270 nan 0.000 0.430 363 F N 2.979 122.936 119.950 0.012 0.000 2.662 363 F HA 0.018 4.558 4.527 0.023 0.000 0.365 363 F C 0.529 176.322 175.800 -0.010 0.000 1.222 363 F CA -0.102 57.909 58.000 0.018 0.000 1.315 363 F CB -0.545 38.467 39.000 0.020 0.000 1.711 363 F HN 0.443 nan 8.300 nan 0.000 0.651 364 D N -1.060 119.366 120.400 0.044 0.000 2.269 364 D HA -0.092 4.564 4.640 0.026 0.000 0.208 364 D C 0.716 177.056 176.300 0.068 0.000 0.963 364 D CA 0.724 54.735 54.000 0.020 0.000 0.864 364 D CB 0.066 40.908 40.800 0.069 0.000 0.936 364 D HN 0.026 nan 8.370 nan 0.000 0.505 365 R N 0.682 121.245 120.500 0.106 0.000 2.393 365 R HA 0.541 4.897 4.340 0.026 0.000 0.310 365 R C -0.467 175.930 176.300 0.160 0.000 0.968 365 R CA -0.470 55.702 56.100 0.120 0.000 0.867 365 R CB 1.303 31.667 30.300 0.108 0.000 1.124 365 R HN 0.199 nan 8.270 nan 0.000 0.450 366 E N 0.795 121.096 120.200 0.169 0.000 2.256 366 E HA 0.570 4.935 4.350 0.026 0.000 0.267 366 E C -1.009 175.743 176.600 0.254 0.000 0.892 366 E CA -0.884 55.672 56.400 0.260 0.000 0.775 366 E CB 2.655 32.517 29.700 0.270 0.000 1.207 366 E HN 0.114 nan 8.360 nan 0.000 0.420 367 V N 1.897 121.945 119.914 0.224 0.000 2.668 367 V HA 0.206 4.341 4.120 0.026 0.000 0.304 367 V C -1.182 174.658 176.094 -0.424 0.000 1.071 367 V CA -0.935 61.361 62.300 -0.006 0.000 0.894 367 V CB 1.997 33.814 31.823 -0.011 0.000 1.008 367 V HN 0.681 nan 8.190 nan 0.000 0.425 368 D N 4.313 124.371 120.400 -0.570 0.000 2.280 368 D HA 0.499 5.155 4.640 0.026 0.000 0.243 368 D C -0.448 175.592 176.300 -0.435 0.000 1.129 368 D CA -0.030 53.392 54.000 -0.964 0.000 0.848 368 D CB 0.948 41.418 40.800 -0.549 0.000 1.107 368 D HN 0.489 nan 8.370 nan 0.000 0.471 369 I N 4.282 124.619 120.570 -0.388 0.000 2.621 369 I HA 0.364 4.549 4.170 0.026 0.000 0.276 369 I C 1.079 177.120 176.117 -0.127 0.000 1.118 369 I CA -0.752 60.438 61.300 -0.184 0.000 1.159 369 I CB 1.278 39.200 38.000 -0.131 0.000 1.357 369 I HN 0.422 nan 8.210 nan 0.000 0.513 370 G N 5.442 114.187 108.800 -0.092 0.000 2.624 370 G HA2 0.528 4.503 3.960 0.026 0.000 0.217 370 G HA3 0.528 4.503 3.960 0.026 0.000 0.217 370 G C 0.188 175.076 174.900 -0.020 0.000 1.506 370 G CA -0.614 44.462 45.100 -0.039 0.000 1.072 370 G HN 0.339 nan 8.290 nan 0.000 0.568 371 I N 1.471 122.040 120.570 -0.002 0.000 2.581 371 I HA 0.217 4.402 4.170 0.026 0.000 0.288 371 I C -1.900 174.224 176.117 0.011 0.000 1.047 371 I CA -1.392 59.907 61.300 -0.002 0.000 1.374 371 I CB 1.410 39.403 38.000 -0.012 0.000 1.423 371 I HN 0.184 nan 8.210 nan 0.000 0.549 372 P HA 0.177 nan 4.420 nan 0.000 0.277 372 P C -1.433 175.893 177.300 0.042 0.000 1.240 372 P CA -0.485 62.627 63.100 0.020 0.000 0.798 372 P CB 0.490 32.199 31.700 0.015 0.000 0.979 373 D N -0.176 120.248 120.400 0.041 0.000 2.432 373 D HA 0.390 5.045 4.640 0.026 0.000 0.258 373 D C 1.137 177.459 176.300 0.037 0.000 1.146 373 D CA -0.766 53.266 54.000 0.054 0.000 1.015 373 D CB 0.159 40.979 40.800 0.033 0.000 1.107 373 D HN 0.218 nan 8.370 nan 0.000 0.529 374 A N 0.197 123.037 122.820 0.033 0.000 1.903 374 A HA -0.242 4.093 4.320 0.026 0.000 0.219 374 A C 2.110 179.696 177.584 0.003 0.000 1.191 374 A CA 2.560 54.605 52.037 0.013 0.000 0.638 374 A CB -1.618 17.384 19.000 0.004 0.000 0.823 374 A HN 0.686 nan 8.150 nan 0.000 0.451 375 T N -0.415 114.140 114.554 0.003 0.000 2.684 375 T HA -0.074 4.292 4.350 0.026 0.000 0.267 375 T C 1.973 176.675 174.700 0.003 0.000 1.036 375 T CA 1.698 63.798 62.100 -0.000 0.000 1.148 375 T CB -0.773 68.095 68.868 -0.001 0.000 0.863 375 T HN 0.637 nan 8.240 nan 0.000 0.436 376 G N 1.330 110.134 108.800 0.007 0.000 2.421 376 G HA2 -0.214 3.761 3.960 0.026 0.000 0.216 376 G HA3 -0.214 3.761 3.960 0.026 0.000 0.216 376 G C 1.694 176.602 174.900 0.013 0.000 1.171 376 G CA 0.349 45.455 45.100 0.010 0.000 0.775 376 G HN 0.408 nan 8.290 nan 0.000 0.543 377 R N -0.369 120.138 120.500 0.011 0.000 2.127 377 R HA 0.069 4.424 4.340 0.026 0.000 0.238 377 R C 2.518 178.822 176.300 0.007 0.000 1.134 377 R CA 0.684 56.789 56.100 0.008 0.000 0.975 377 R CB -0.462 29.835 30.300 -0.005 0.000 0.865 377 R HN 0.346 nan 8.270 nan 0.000 0.447 378 L N 0.864 122.088 121.223 0.000 0.000 2.017 378 L HA -0.209 4.146 4.340 0.026 0.000 0.208 378 L C 2.160 179.037 176.870 0.011 0.000 1.073 378 L CA 1.560 56.396 54.840 -0.006 0.000 0.745 378 L CB -0.220 41.832 42.059 -0.013 0.000 0.894 378 L HN 0.184 nan 8.230 nan 0.000 0.432 379 E N 0.134 120.344 120.200 0.016 0.000 2.065 379 E HA -0.301 4.064 4.350 0.026 0.000 0.201 379 E C 2.065 178.697 176.600 0.053 0.000 1.016 379 E CA 2.331 58.746 56.400 0.025 0.000 0.818 379 E CB -0.168 29.545 29.700 0.021 0.000 0.749 379 E HN 0.493 nan 8.360 nan 0.000 0.453 380 I N 0.315 120.928 120.570 0.071 0.000 2.163 380 I HA -0.310 3.875 4.170 0.026 0.000 0.243 380 I C 2.327 178.563 176.117 0.199 0.000 1.085 380 I CA 0.982 62.368 61.300 0.142 0.000 1.347 380 I CB -0.357 37.701 38.000 0.096 0.000 1.044 380 I HN 0.169 nan 8.210 nan 0.000 0.408 381 L N 0.193 121.482 121.223 0.110 0.000 2.042 381 L HA -0.266 4.089 4.340 0.026 0.000 0.210 381 L C 2.708 179.644 176.870 0.111 0.000 1.076 381 L CA 1.598 56.503 54.840 0.109 0.000 0.749 381 L CB -0.641 41.438 42.059 0.034 0.000 0.893 381 L HN 0.332 nan 8.230 nan 0.000 0.432 382 Q N -0.213 119.626 119.800 0.065 0.000 2.167 382 Q HA -0.156 4.200 4.340 0.026 0.000 0.202 382 Q C 2.261 178.288 176.000 0.045 0.000 0.970 382 Q CA 1.279 57.107 55.803 0.042 0.000 0.855 382 Q CB -0.099 28.650 28.738 0.019 0.000 0.911 382 Q HN 0.569 nan 8.270 nan 0.000 0.438 383 I N -0.235 120.367 120.570 0.053 0.000 2.353 383 I HA -0.207 3.979 4.170 0.026 0.000 0.248 383 I C 1.014 177.055 176.117 -0.126 0.000 1.119 383 I CA 1.054 62.330 61.300 -0.040 0.000 1.417 383 I CB -0.162 37.791 38.000 -0.079 0.000 1.078 383 I HN 0.214 nan 8.210 nan 0.000 0.421 384 H N -0.079 119.016 119.070 0.041 0.000 2.592 384 H HA 0.075 4.646 4.556 0.025 0.000 0.291 384 H C 1.163 176.537 175.328 0.076 0.000 1.052 384 H CA 0.844 56.923 56.048 0.052 0.000 1.175 384 H CB -0.033 29.764 29.762 0.059 0.000 1.378 384 H HN 0.330 nan 8.280 nan 0.000 0.576 385 T N -3.920 110.714 114.554 0.133 0.000 3.080 385 T HA -0.003 4.362 4.350 0.026 0.000 0.280 385 T C 1.661 176.407 174.700 0.078 0.000 0.926 385 T CA -0.350 61.830 62.100 0.134 0.000 0.883 385 T CB 0.200 69.168 68.868 0.165 0.000 1.194 385 T HN 0.346 nan 8.240 nan 0.000 0.541 386 K N 2.083 122.506 120.400 0.040 0.000 2.173 386 K HA -0.118 4.218 4.320 0.026 0.000 0.207 386 K C 1.418 178.038 176.600 0.033 0.000 1.046 386 K CA 1.667 57.968 56.287 0.023 0.000 0.929 386 K CB -0.521 31.975 32.500 -0.007 0.000 0.720 386 K HN 0.181 nan 8.250 nan 0.000 0.453 387 N N 0.877 119.597 118.700 0.033 0.000 2.398 387 N HA 0.101 4.857 4.740 0.026 0.000 0.188 387 N C 0.331 175.877 175.510 0.061 0.000 1.122 387 N CA 0.473 53.549 53.050 0.043 0.000 0.866 387 N CB 0.168 38.670 38.487 0.026 0.000 0.970 387 N HN 0.475 nan 8.380 nan 0.000 0.462 388 M N -1.204 118.436 119.600 0.066 0.000 2.821 388 M HA 0.435 4.931 4.480 0.026 0.000 0.304 388 M C -0.194 176.145 176.300 0.065 0.000 1.233 388 M CA -0.913 54.428 55.300 0.068 0.000 0.851 388 M CB 1.924 34.572 32.600 0.080 0.000 1.723 388 M HN -0.353 nan 8.290 nan 0.000 0.493 389 K N 1.848 122.282 120.400 0.056 0.000 2.292 389 K HA 0.551 4.886 4.320 0.026 0.000 0.270 389 K C -1.703 174.939 176.600 0.070 0.000 1.062 389 K CA -0.320 55.995 56.287 0.048 0.000 0.916 389 K CB 0.512 33.026 32.500 0.024 0.000 1.166 389 K HN 0.713 nan 8.250 nan 0.000 0.458 390 L N 3.828 125.098 121.223 0.078 0.000 2.292 390 L HA 0.387 4.742 4.340 0.026 0.000 0.284 390 L C 0.600 177.511 176.870 0.068 0.000 1.065 390 L CA -0.771 54.130 54.840 0.102 0.000 0.806 390 L CB 1.467 43.578 42.059 0.087 0.000 1.175 390 L HN 0.729 nan 8.230 nan 0.000 0.431 391 A N 2.114 124.984 122.820 0.082 0.000 2.492 391 A HA -0.008 4.327 4.320 0.026 0.000 0.236 391 A C 0.827 178.431 177.584 0.034 0.000 1.078 391 A CA -0.161 51.908 52.037 0.054 0.000 0.773 391 A CB 0.076 19.115 19.000 0.065 0.000 1.023 391 A HN 0.853 nan 8.150 nan 0.000 0.504 392 D N 0.094 120.507 120.400 0.021 0.000 2.371 392 D HA -0.100 4.555 4.640 0.026 0.000 0.221 392 D C 0.614 176.917 176.300 0.004 0.000 0.986 392 D CA 1.179 55.184 54.000 0.009 0.000 0.899 392 D CB 0.088 40.892 40.800 0.006 0.000 0.902 392 D HN 0.771 nan 8.370 nan 0.000 0.530 393 D N 0.243 120.652 120.400 0.014 0.000 2.339 393 D HA -0.045 4.611 4.640 0.026 0.000 0.217 393 D C 0.583 176.883 176.300 -0.000 0.000 1.050 393 D CA -0.051 53.955 54.000 0.010 0.000 0.856 393 D CB 0.378 41.193 40.800 0.024 0.000 0.922 393 D HN -0.101 nan 8.370 nan 0.000 0.518 394 V N 1.808 121.713 119.914 -0.013 0.000 2.455 394 V HA 0.066 4.202 4.120 0.026 0.000 0.273 394 V C 0.146 176.163 176.094 -0.129 0.000 1.045 394 V CA -0.200 62.051 62.300 -0.082 0.000 0.976 394 V CB 1.230 32.989 31.823 -0.106 0.000 0.993 394 V HN 0.094 nan 8.190 nan 0.000 0.475 395 D N 5.005 125.312 120.400 -0.155 0.000 2.477 395 D HA 0.273 4.928 4.640 0.026 0.000 0.239 395 D C 0.907 177.091 176.300 -0.193 0.000 1.102 395 D CA -0.318 53.602 54.000 -0.133 0.000 0.901 395 D CB 1.289 42.041 40.800 -0.080 0.000 1.026 395 D HN 0.410 nan 8.370 nan 0.000 0.515 396 L N 2.108 123.203 121.223 -0.213 0.000 2.083 396 L HA -0.102 4.253 4.340 0.026 0.000 0.209 396 L C 2.296 179.086 176.870 -0.133 0.000 1.083 396 L CA 0.883 55.588 54.840 -0.224 0.000 0.752 396 L CB -0.119 41.834 42.059 -0.177 0.000 0.899 396 L HN 0.469 nan 8.230 nan 0.000 0.433 397 E N -0.094 120.050 120.200 -0.093 0.000 2.110 397 E HA -0.298 4.068 4.350 0.026 0.000 0.193 397 E C 2.168 178.731 176.600 -0.061 0.000 0.988 397 E CA 1.192 57.554 56.400 -0.063 0.000 0.804 397 E CB 0.142 29.814 29.700 -0.047 0.000 0.745 397 E HN 0.290 nan 8.360 nan 0.000 0.458 398 Q N 0.390 120.149 119.800 -0.068 0.000 2.084 398 Q HA -0.116 4.239 4.340 0.026 0.000 0.202 398 Q C 2.065 178.030 176.000 -0.058 0.000 0.978 398 Q CA 1.385 57.156 55.803 -0.054 0.000 0.844 398 Q CB -0.381 28.327 28.738 -0.050 0.000 0.898 398 Q HN 0.183 nan 8.270 nan 0.000 0.426 399 V N 0.758 120.621 119.914 -0.085 0.000 2.287 399 V HA -0.285 3.850 4.120 0.026 0.000 0.248 399 V C 2.275 178.324 176.094 -0.075 0.000 1.053 399 V CA 1.912 64.167 62.300 -0.074 0.000 1.027 399 V CB -1.302 30.454 31.823 -0.112 0.000 0.646 399 V HN 0.498 nan 8.190 nan 0.000 0.447 400 A N -0.076 122.701 122.820 -0.071 0.000 2.070 400 A HA -0.208 4.128 4.320 0.026 0.000 0.220 400 A C 2.032 179.585 177.584 -0.052 0.000 1.159 400 A CA 1.804 53.805 52.037 -0.061 0.000 0.656 400 A CB -0.565 18.410 19.000 -0.042 0.000 0.800 400 A HN 0.612 nan 8.150 nan 0.000 0.453 401 N N 0.246 118.919 118.700 -0.045 0.000 2.300 401 N HA -0.074 4.681 4.740 0.026 0.000 0.179 401 N C 0.786 176.279 175.510 -0.028 0.000 1.016 401 N CA 1.130 54.163 53.050 -0.028 0.000 0.876 401 N CB -0.164 38.308 38.487 -0.025 0.000 0.979 401 N HN 0.690 nan 8.380 nan 0.000 0.432 402 E N -0.170 120.000 120.200 -0.050 0.000 2.368 402 E HA 0.106 4.471 4.350 0.026 0.000 0.188 402 E C -0.011 176.513 176.600 -0.127 0.000 1.061 402 E CA 0.182 56.550 56.400 -0.052 0.000 0.933 402 E CB 0.063 29.739 29.700 -0.040 0.000 1.091 402 E HN 0.094 nan 8.360 nan 0.000 0.458 403 T N -0.158 114.298 114.554 -0.163 0.000 3.182 403 T HA 0.005 4.371 4.350 0.026 0.000 0.277 403 T C -0.096 174.483 174.700 -0.201 0.000 1.013 403 T CA -0.423 61.446 62.100 -0.386 0.000 0.900 403 T CB -0.217 68.419 68.868 -0.387 0.000 1.098 403 T HN 0.281 nan 8.240 nan 0.000 0.543 404 H N 1.097 120.116 119.070 -0.086 0.000 2.972 404 H HA 0.406 4.976 4.556 0.024 0.000 0.343 404 H C 1.489 176.863 175.328 0.075 0.000 1.054 404 H CA 1.725 57.769 56.048 -0.007 0.000 1.412 404 H CB 0.006 29.767 29.762 -0.001 0.000 1.385 404 H HN 0.278 nan 8.280 nan 0.000 0.600 405 G N 2.834 111.117 108.800 -0.863 0.000 2.317 405 G HA2 -0.283 3.693 3.960 0.026 0.000 0.227 405 G HA3 -0.283 3.693 3.960 0.026 0.000 0.227 405 G C -0.069 174.774 174.900 -0.095 0.000 1.042 405 G CA 0.276 45.078 45.100 -0.497 0.000 0.623 405 G HN 0.864 nan 8.290 nan 0.000 0.509 406 H N 0.841 119.801 119.070 -0.182 0.000 2.790 406 H HA 0.515 5.086 4.556 0.025 0.000 0.358 406 H C 1.095 176.369 175.328 -0.091 0.000 1.103 406 H CA 0.448 56.432 56.048 -0.106 0.000 1.426 406 H CB 1.242 30.961 29.762 -0.071 0.000 1.424 406 H HN 0.822 nan 8.280 nan 0.000 0.599 407 V N -0.109 119.831 119.914 0.044 0.000 3.345 407 V HA 0.595 4.730 4.120 0.026 0.000 0.308 407 V C 1.536 177.633 176.094 0.006 0.000 1.168 407 V CA -0.190 62.115 62.300 0.008 0.000 1.024 407 V CB 1.130 32.941 31.823 -0.019 0.000 1.211 407 V HN 0.777 nan 8.190 nan 0.000 0.461 408 G N -0.319 108.475 108.800 -0.009 0.000 2.476 408 G HA2 -0.206 3.769 3.960 0.026 0.000 0.218 408 G HA3 -0.206 3.769 3.960 0.026 0.000 0.218 408 G C 1.506 176.357 174.900 -0.080 0.000 1.164 408 G CA 1.555 46.636 45.100 -0.031 0.000 0.768 408 G HN 1.474 nan 8.290 nan 0.000 0.560 409 A N 0.703 123.490 122.820 -0.055 0.000 1.940 409 A HA -0.100 4.235 4.320 0.026 0.000 0.219 409 A C 2.114 179.652 177.584 -0.076 0.000 1.176 409 A CA 2.153 54.151 52.037 -0.066 0.000 0.631 409 A CB -0.433 18.545 19.000 -0.037 0.000 0.814 409 A HN 0.324 nan 8.150 nan 0.000 0.446 410 D N 0.053 120.420 120.400 -0.055 0.000 2.084 410 D HA -0.120 4.536 4.640 0.026 0.000 0.194 410 D C 2.022 178.333 176.300 0.019 0.000 0.990 410 D CA 1.360 55.339 54.000 -0.035 0.000 0.826 410 D CB -0.298 40.473 40.800 -0.049 0.000 0.971 410 D HN 0.476 nan 8.370 nan 0.000 0.453 411 L N 0.879 122.108 121.223 0.011 0.000 2.046 411 L HA -0.165 4.190 4.340 0.026 0.000 0.208 411 L C 2.683 179.492 176.870 -0.101 0.000 1.077 411 L CA 1.205 56.042 54.840 -0.005 0.000 0.747 411 L CB -0.538 41.505 42.059 -0.026 0.000 0.896 411 L HN -0.048 nan 8.230 nan 0.000 0.432 412 A N 0.227 122.873 122.820 -0.290 0.000 1.908 412 A HA -0.224 4.112 4.320 0.026 0.000 0.218 412 A C 2.532 180.046 177.584 -0.117 0.000 1.181 412 A CA 2.093 53.880 52.037 -0.417 0.000 0.627 412 A CB -0.778 17.928 19.000 -0.489 0.000 0.818 412 A HN 0.423 nan 8.150 nan 0.000 0.445 413 A N -0.916 121.861 122.820 -0.072 0.000 1.897 413 A HA 0.055 4.390 4.320 0.026 0.000 0.215 413 A C 2.108 179.692 177.584 -0.000 0.000 1.181 413 A CA 1.498 53.520 52.037 -0.024 0.000 0.620 413 A CB -0.613 18.371 19.000 -0.028 0.000 0.821 413 A HN 0.571 nan 8.150 nan 0.000 0.443 414 L N -0.079 121.155 121.223 0.019 0.000 2.043 414 L HA -0.261 4.095 4.340 0.026 0.000 0.212 414 L C 2.571 179.462 176.870 0.035 0.000 1.075 414 L CA 2.314 57.185 54.840 0.052 0.000 0.752 414 L CB -0.637 41.491 42.059 0.115 0.000 0.891 414 L HN 0.511 nan 8.230 nan 0.000 0.432 415 C N -1.818 117.520 119.300 0.063 0.000 2.436 415 C HA -0.152 4.323 4.460 0.026 0.000 0.277 415 C C 2.940 177.917 174.990 -0.022 0.000 1.241 415 C CA 1.159 60.213 59.018 0.060 0.000 1.721 415 C CB -1.078 26.759 27.740 0.161 0.000 2.043 415 C HN 0.615 nan 8.230 nan 0.000 0.472 416 S N 0.243 115.951 115.700 0.015 0.000 2.380 416 S HA -0.202 4.283 4.470 0.026 0.000 0.229 416 S C 1.878 176.478 174.600 -0.000 0.000 1.043 416 S CA 1.448 59.655 58.200 0.011 0.000 1.038 416 S CB -0.359 62.855 63.200 0.023 0.000 0.872 416 S HN 0.577 nan 8.310 nan 0.000 0.456 417 E N 1.154 121.362 120.200 0.014 0.000 2.051 417 E HA -0.084 4.282 4.350 0.026 0.000 0.192 417 E C 2.383 179.015 176.600 0.053 0.000 0.991 417 E CA 1.185 57.634 56.400 0.083 0.000 0.799 417 E CB -0.625 29.140 29.700 0.108 0.000 0.748 417 E HN 0.460 nan 8.360 nan 0.000 0.449 418 A N 1.411 124.160 122.820 -0.118 0.000 1.865 418 A HA -0.184 4.151 4.320 0.026 0.000 0.217 418 A C 2.441 179.885 177.584 -0.233 0.000 1.191 418 A CA 2.667 54.506 52.037 -0.330 0.000 0.623 418 A CB -0.851 17.510 19.000 -1.065 0.000 0.826 418 A HN 0.292 nan 8.150 nan 0.000 0.444 419 A N -0.714 122.001 122.820 -0.176 0.000 1.978 419 A HA -0.022 4.314 4.320 0.026 0.000 0.220 419 A C 2.152 179.693 177.584 -0.071 0.000 1.170 419 A CA 1.571 53.553 52.037 -0.093 0.000 0.636 419 A CB -0.544 18.433 19.000 -0.039 0.000 0.810 419 A HN 0.493 nan 8.150 nan 0.000 0.448 420 L N -1.504 119.685 121.223 -0.057 0.000 2.131 420 L HA -0.126 4.229 4.340 0.026 0.000 0.206 420 L C 2.710 179.511 176.870 -0.116 0.000 1.087 420 L CA 1.314 56.121 54.840 -0.055 0.000 0.767 420 L CB -0.344 41.708 42.059 -0.012 0.000 0.917 420 L HN 0.412 nan 8.230 nan 0.000 0.441 421 Q N 0.491 120.194 119.800 -0.161 0.000 2.224 421 Q HA -0.114 4.242 4.340 0.026 0.000 0.203 421 Q C 2.083 177.933 176.000 -0.249 0.000 0.970 421 Q CA 1.717 57.317 55.803 -0.339 0.000 0.865 421 Q CB -0.080 28.387 28.738 -0.451 0.000 0.922 421 Q HN 0.430 nan 8.270 nan 0.000 0.445 422 A N 0.330 123.054 122.820 -0.160 0.000 1.840 422 A HA -0.098 4.237 4.320 0.026 0.000 0.214 422 A C 2.090 179.614 177.584 -0.100 0.000 1.198 422 A CA 1.388 53.357 52.037 -0.114 0.000 0.608 422 A CB -0.785 18.169 19.000 -0.076 0.000 0.839 422 A HN 0.433 nan 8.150 nan 0.000 0.443 423 I N -0.622 119.897 120.570 -0.084 0.000 2.118 423 I HA -0.336 3.849 4.170 0.026 0.000 0.241 423 I C 2.755 178.823 176.117 -0.082 0.000 1.070 423 I CA 1.739 62.999 61.300 -0.067 0.000 1.327 423 I CB -0.565 37.404 38.000 -0.051 0.000 1.034 423 I HN 0.323 nan 8.210 nan 0.000 0.405 424 R N 0.904 121.339 120.500 -0.109 0.000 2.133 424 R HA -0.218 4.138 4.340 0.026 0.000 0.247 424 R C 2.311 178.541 176.300 -0.115 0.000 1.151 424 R CA 1.587 57.617 56.100 -0.117 0.000 0.971 424 R CB -0.324 29.878 30.300 -0.163 0.000 0.866 424 R HN 0.474 nan 8.270 nan 0.000 0.447 425 K N 0.598 120.919 120.400 -0.132 0.000 2.007 425 K HA -0.111 4.224 4.320 0.026 0.000 0.206 425 K C 1.984 178.539 176.600 -0.075 0.000 1.047 425 K CA 1.358 57.578 56.287 -0.111 0.000 0.937 425 K CB 0.011 32.438 32.500 -0.122 0.000 0.718 425 K HN 0.133 nan 8.250 nan 0.000 0.438 426 K N 0.097 120.458 120.400 -0.065 0.000 2.314 426 K HA 0.014 4.349 4.320 0.026 0.000 0.198 426 K C 1.953 178.530 176.600 -0.040 0.000 1.045 426 K CA 0.642 56.902 56.287 -0.046 0.000 0.988 426 K CB 0.064 32.540 32.500 -0.038 0.000 0.783 426 K HN 0.069 nan 8.250 nan 0.000 0.484 427 M N 1.769 121.343 119.600 -0.044 0.000 2.248 427 M HA -0.075 4.420 4.480 0.026 0.000 0.265 427 M C 1.634 177.913 176.300 -0.034 0.000 1.079 427 M CA 1.783 57.062 55.300 -0.035 0.000 1.150 427 M CB -0.093 32.486 32.600 -0.036 0.000 1.366 427 M HN 0.044 nan 8.290 nan 0.000 0.433 428 D N 0.594 120.968 120.400 -0.042 0.000 2.127 428 D HA -0.256 4.399 4.640 0.026 0.000 0.190 428 D C 1.778 178.059 176.300 -0.030 0.000 1.000 428 D CA 2.381 56.358 54.000 -0.038 0.000 0.839 428 D CB -0.584 40.187 40.800 -0.049 0.000 0.955 428 D HN 0.453 nan 8.370 nan 0.000 0.446 429 L N -0.469 120.735 121.223 -0.031 0.000 2.354 429 L HA 0.215 4.570 4.340 0.026 0.000 0.212 429 L C 1.035 177.893 176.870 -0.020 0.000 1.091 429 L CA 0.453 55.279 54.840 -0.025 0.000 0.828 429 L CB -0.048 41.996 42.059 -0.026 0.000 0.973 429 L HN 0.064 nan 8.230 nan 0.000 0.461 430 I N 1.843 122.400 120.570 -0.022 0.000 3.525 430 I HA 0.038 4.223 4.170 0.026 0.000 0.311 430 I C 0.082 176.190 176.117 -0.015 0.000 1.329 430 I CA -0.312 60.977 61.300 -0.018 0.000 1.382 430 I CB -2.154 35.834 38.000 -0.019 0.000 1.328 430 I HN 0.325 nan 8.210 nan 0.000 0.493 431 D N 1.210 121.601 120.400 -0.014 0.000 2.805 431 D HA -0.265 4.390 4.640 0.026 0.000 0.221 431 D C 0.596 176.890 176.300 -0.010 0.000 1.197 431 D CA 0.538 54.531 54.000 -0.011 0.000 0.606 431 D CB -1.269 39.526 40.800 -0.008 0.000 1.024 431 D HN 0.472 nan 8.370 nan 0.000 0.408 432 L N -1.268 119.948 121.223 -0.012 0.000 2.737 432 L HA 0.260 4.615 4.340 0.026 0.000 0.236 432 L C 1.293 178.158 176.870 -0.009 0.000 1.219 432 L CA 0.086 54.920 54.840 -0.011 0.000 1.021 432 L CB -0.378 41.673 42.059 -0.014 0.000 1.291 432 L HN 0.223 nan 8.230 nan 0.000 0.470 433 E N 0.183 120.377 120.200 -0.009 0.000 2.207 433 E HA 0.665 5.030 4.350 0.026 0.000 0.270 433 E C -0.831 175.767 176.600 -0.004 0.000 0.927 433 E CA -0.562 55.834 56.400 -0.007 0.000 0.799 433 E CB 2.424 32.118 29.700 -0.010 0.000 1.172 433 E HN 0.174 nan 8.360 nan 0.000 0.404 434 D N -0.725 119.674 120.400 -0.003 0.000 2.764 434 D HA 0.353 5.009 4.640 0.026 0.000 0.293 434 D C -0.062 176.238 176.300 0.000 0.000 1.287 434 D CA 0.415 54.415 54.000 -0.000 0.000 0.768 434 D CB 1.100 41.901 40.800 0.002 0.000 1.288 434 D HN 0.542 nan 8.370 nan 0.000 0.426 435 E N -0.382 119.819 120.200 0.001 0.000 2.357 435 E HA 0.332 4.698 4.350 0.026 0.000 0.194 435 E C 0.416 177.017 176.600 0.003 0.000 1.177 435 E CA 0.624 57.025 56.400 0.001 0.000 0.998 435 E CB -0.012 29.689 29.700 0.001 0.000 1.106 435 E HN 0.378 nan 8.360 nan 0.000 0.470 436 T N -1.439 113.117 114.554 0.004 0.000 2.774 436 T HA 0.446 4.811 4.350 0.026 0.000 0.325 436 T C -1.846 172.858 174.700 0.008 0.000 1.753 436 T CA -0.558 61.546 62.100 0.006 0.000 1.024 436 T CB 0.777 69.651 68.868 0.009 0.000 1.628 436 T HN 0.149 nan 8.240 nan 0.000 0.497 437 I N 2.383 122.960 120.570 0.011 0.000 2.603 437 I HA 0.464 4.650 4.170 0.026 0.000 0.300 437 I C -0.139 175.990 176.117 0.020 0.000 1.017 437 I CA -0.645 60.663 61.300 0.013 0.000 1.098 437 I CB 1.720 39.728 38.000 0.013 0.000 1.279 437 I HN 0.789 nan 8.210 nan 0.000 0.437 438 D N 2.866 123.276 120.400 0.017 0.000 2.313 438 D HA 0.493 5.148 4.640 0.026 0.000 0.239 438 D C 1.036 177.349 176.300 0.022 0.000 1.142 438 D CA -0.117 53.896 54.000 0.021 0.000 0.847 438 D CB 1.684 42.491 40.800 0.013 0.000 1.082 438 D HN 0.629 nan 8.370 nan 0.000 0.480 439 A N 3.606 126.451 122.820 0.041 0.000 1.927 439 A HA -0.272 4.063 4.320 0.026 0.000 0.220 439 A C 1.950 179.520 177.584 -0.024 0.000 1.185 439 A CA 1.783 53.848 52.037 0.048 0.000 0.639 439 A CB -0.497 18.573 19.000 0.116 0.000 0.820 439 A HN 0.656 nan 8.150 nan 0.000 0.451 440 E N -0.014 120.170 120.200 -0.027 0.000 2.051 440 E HA -0.116 4.249 4.350 0.026 0.000 0.192 440 E C 1.856 178.431 176.600 -0.041 0.000 0.991 440 E CA 1.610 57.978 56.400 -0.053 0.000 0.799 440 E CB -0.619 29.064 29.700 -0.029 0.000 0.748 440 E HN 0.249 nan 8.360 nan 0.000 0.449 441 V N 0.751 120.653 119.914 -0.020 0.000 2.282 441 V HA -0.338 3.798 4.120 0.026 0.000 0.249 441 V C 2.471 178.552 176.094 -0.020 0.000 1.057 441 V CA 2.143 64.433 62.300 -0.017 0.000 1.032 441 V CB -0.569 31.249 31.823 -0.008 0.000 0.645 441 V HN 0.364 nan 8.190 nan 0.000 0.447 442 M N -0.184 119.407 119.600 -0.016 0.000 2.132 442 M HA -0.125 4.370 4.480 0.026 0.000 0.263 442 M C 2.135 178.420 176.300 -0.025 0.000 1.065 442 M CA 1.419 56.712 55.300 -0.012 0.000 1.122 442 M CB -1.812 30.792 32.600 0.007 0.000 1.365 442 M HN 0.449 nan 8.290 nan 0.000 0.411 443 N N 0.523 119.189 118.700 -0.056 0.000 2.289 443 N HA -0.120 4.635 4.740 0.026 0.000 0.184 443 N C 1.621 177.092 175.510 -0.066 0.000 1.016 443 N CA 1.777 54.771 53.050 -0.094 0.000 0.872 443 N CB 0.220 38.591 38.487 -0.194 0.000 0.973 443 N HN 0.461 nan 8.380 nan 0.000 0.433 444 S N 0.080 115.750 115.700 -0.049 0.000 2.388 444 S HA -0.009 4.477 4.470 0.026 0.000 0.223 444 S C 1.068 175.655 174.600 -0.021 0.000 1.034 444 S CA -0.279 57.900 58.200 -0.035 0.000 0.963 444 S CB -0.444 62.738 63.200 -0.030 0.000 0.827 444 S HN 0.190 nan 8.310 nan 0.000 0.481 445 L N 2.733 123.945 121.223 -0.018 0.000 2.601 445 L HA 0.402 4.757 4.340 0.026 0.000 0.277 445 L C 0.026 176.895 176.870 -0.001 0.000 1.219 445 L CA 0.556 55.389 54.840 -0.012 0.000 0.915 445 L CB 0.093 42.144 42.059 -0.014 0.000 1.160 445 L HN 0.442 nan 8.230 nan 0.000 0.494 446 A N 4.957 127.780 122.820 0.006 0.000 2.356 446 A HA 0.650 4.985 4.320 0.026 0.000 0.310 446 A C -0.931 176.677 177.584 0.040 0.000 1.075 446 A CA -0.693 51.360 52.037 0.027 0.000 0.746 446 A CB 1.336 20.352 19.000 0.027 0.000 1.221 446 A HN 0.430 nan 8.150 nan 0.000 0.443 447 V N 3.197 123.155 119.914 0.074 0.000 2.439 447 V HA 0.345 4.481 4.120 0.026 0.000 0.271 447 V C 1.172 177.377 176.094 0.184 0.000 1.040 447 V CA 0.376 62.737 62.300 0.101 0.000 1.002 447 V CB 0.497 32.388 31.823 0.113 0.000 1.000 447 V HN 1.039 nan 8.190 nan 0.000 0.477 448 T N 2.517 117.155 114.554 0.140 0.000 2.874 448 T HA 0.319 4.685 4.350 0.026 0.000 0.281 448 T C 0.932 175.796 174.700 0.273 0.000 0.994 448 T CA -0.564 61.630 62.100 0.156 0.000 1.015 448 T CB 1.039 69.961 68.868 0.090 0.000 1.028 448 T HN 0.443 nan 8.240 nan 0.000 0.523 449 M N 0.765 120.494 119.600 0.215 0.000 2.358 449 M HA -0.000 4.495 4.480 0.026 0.000 0.264 449 M C 1.508 177.960 176.300 0.254 0.000 1.064 449 M CA 1.529 56.973 55.300 0.240 0.000 1.093 449 M CB -1.270 31.388 32.600 0.096 0.000 1.401 449 M HN 0.879 nan 8.290 nan 0.000 0.440 450 D N -0.044 120.463 120.400 0.179 0.000 2.117 450 D HA -0.182 4.473 4.640 0.026 0.000 0.197 450 D C 1.355 177.766 176.300 0.187 0.000 0.987 450 D CA 1.609 55.699 54.000 0.150 0.000 0.829 450 D CB -0.085 40.770 40.800 0.092 0.000 0.961 450 D HN 0.411 nan 8.370 nan 0.000 0.460 451 D N -0.630 119.858 120.400 0.147 0.000 2.149 451 D HA -0.170 4.485 4.640 0.026 0.000 0.198 451 D C 1.936 178.291 176.300 0.091 0.000 0.990 451 D CA 0.765 54.808 54.000 0.072 0.000 0.839 451 D CB -0.447 40.301 40.800 -0.087 0.000 0.948 451 D HN 0.353 nan 8.370 nan 0.000 0.460 452 F N 1.167 121.195 119.950 0.130 0.000 2.259 452 F HA 0.019 4.561 4.527 0.026 0.000 0.298 452 F C 2.496 178.353 175.800 0.096 0.000 1.088 452 F CA 0.624 58.688 58.000 0.106 0.000 1.358 452 F CB -0.113 38.924 39.000 0.061 0.000 1.040 452 F HN -0.176 nan 8.300 nan 0.000 0.505 453 R N -1.185 119.480 120.500 0.276 0.000 2.115 453 R HA -0.214 4.141 4.340 0.026 0.000 0.230 453 R C 2.031 178.423 176.300 0.152 0.000 1.111 453 R CA 1.589 57.794 56.100 0.174 0.000 0.976 453 R CB -0.960 29.429 30.300 0.149 0.000 0.870 453 R HN 0.416 nan 8.270 nan 0.000 0.445 454 W N 1.558 122.880 121.300 0.036 0.000 2.407 454 W HA -0.068 4.608 4.660 0.026 0.000 0.305 454 W C 2.332 178.851 176.519 0.000 0.000 1.196 454 W CA 1.603 58.953 57.345 0.008 0.000 1.311 454 W CB -0.314 29.137 29.460 -0.014 0.000 1.135 454 W HN 0.073 nan 8.180 nan 0.000 0.514 455 A N 0.449 123.304 122.820 0.059 0.000 1.908 455 A HA -0.219 4.116 4.320 0.026 0.000 0.218 455 A C 2.087 179.556 177.584 -0.192 0.000 1.181 455 A CA 1.995 53.957 52.037 -0.125 0.000 0.627 455 A CB -1.132 17.879 19.000 0.019 0.000 0.818 455 A HN 0.407 nan 8.150 nan 0.000 0.445 456 L N 0.440 121.622 121.223 -0.069 0.000 2.046 456 L HA -0.160 4.195 4.340 0.026 0.000 0.208 456 L C 2.643 179.441 176.870 -0.121 0.000 1.077 456 L CA 1.511 56.325 54.840 -0.043 0.000 0.747 456 L CB -0.503 41.563 42.059 0.011 0.000 0.896 456 L HN 0.578 nan 8.230 nan 0.000 0.432 457 S N -1.230 114.354 115.700 -0.194 0.000 2.711 457 S HA -0.043 4.442 4.470 0.026 0.000 0.237 457 S C 0.753 175.172 174.600 -0.301 0.000 0.971 457 S CA 0.239 58.310 58.200 -0.215 0.000 0.964 457 S CB -0.347 62.729 63.200 -0.206 0.000 0.775 457 S HN 0.295 nan 8.310 nan 0.000 0.540 458 Q N 0.000 119.601 119.800 -0.332 0.000 2.315 458 Q HA 0.000 4.355 4.340 0.026 0.000 0.214 458 Q CA 0.000 55.612 55.803 -0.319 0.000 1.022 458 Q CB 0.000 28.475 28.738 -0.438 0.000 1.108 458 Q HN 0.000 nan 8.270 nan 0.000 0.481