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 2i1v_1_B DATA FIRST_RESID 2 DATA SEQUENCE LELTQSRVQK IWVPVDHRPS LPRSCGPXXX NSPTVIVMVG LPARGKTYIS DATA SEQUENCE KKLTRYLNWI GVPTKVFNVG EYRREAVKQY SSYNFFRPDN EEAMKVRKQC DATA SEQUENCE ALAALRDVKS YLAKEGGQIA VFDATNTTRE RRHMILHFAK ENDFKAFFIE DATA SEQUENCE SVCDDPTVVA SNIMEVKISS PDYKDCNSAE AMDDFMKRIS CYEASYQPLD DATA SEQUENCE PDKCDRDLSL IKVIDVGRRF LVNRVQDHIQ SRIVYYLMNI HVQPRTIYLC DATA SEQUENCE RHGENEHNLQ GRIGGDSGLS SRGKKFASAL SKFVEEQNLK DLRVWTSQLK DATA SEQUENCE STIQTAEALR LPYEQWKALN EIDAGVCEEL TYEEIRDTYP EEYALREQDK DATA SEQUENCE YYYRYPTGES YQDLVQRLEP VIMELERQEN VLVICHQAVL RCLLAYFLDK DATA SEQUENCE SAEEMPYLKC PLHTVLKLTP VAYGCRVESI YLNVESVCTH RERSXXXXXX DATA SEQUENCE XNPLMRRNS 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 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.848 176.870 -0.036 0.000 1.165 2 L CA 0.000 54.815 54.840 -0.041 0.000 0.813 2 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 3 E N 2.200 122.395 120.200 -0.008 0.000 2.182 3 E HA 0.588 4.939 4.350 0.001 0.000 0.258 3 E C -1.476 175.144 176.600 0.033 0.000 0.879 3 E CA -0.389 56.019 56.400 0.013 0.000 0.754 3 E CB 0.946 30.665 29.700 0.032 0.000 1.162 3 E HN 0.105 nan 8.360 nan 0.000 0.419 4 L N 1.778 123.043 121.223 0.070 0.000 2.301 4 L HA 0.671 5.012 4.340 0.001 0.000 0.249 4 L C -0.026 177.007 176.870 0.271 0.000 1.069 4 L CA -0.973 53.955 54.840 0.148 0.000 0.865 4 L CB 0.772 42.950 42.059 0.197 0.000 1.467 4 L HN 0.483 nan 8.230 nan 0.000 0.419 5 T N -0.157 114.552 114.554 0.259 0.000 2.893 5 T HA 0.348 4.698 4.350 0.001 0.000 0.293 5 T C -0.991 173.678 174.700 -0.051 0.000 1.027 5 T CA -0.369 61.831 62.100 0.167 0.000 0.988 5 T CB 1.870 70.758 68.868 0.032 0.000 1.043 5 T HN 0.630 nan 8.240 nan 0.000 0.461 6 Q N 2.977 122.485 119.800 -0.486 0.000 2.294 6 Q HA 0.445 4.785 4.340 0.001 0.000 0.257 6 Q C 0.184 175.922 176.000 -0.436 0.000 0.955 6 Q CA -0.661 54.619 55.803 -0.872 0.000 0.936 6 Q CB 0.651 28.448 28.738 -1.568 0.000 1.188 6 Q HN 0.838 nan 8.270 nan 0.000 0.420 7 S N 3.805 119.310 115.700 -0.324 0.000 2.552 7 S HA 0.022 4.492 4.470 0.001 0.000 0.289 7 S C 0.783 175.265 174.600 -0.197 0.000 1.304 7 S CA -0.159 57.920 58.200 -0.202 0.000 1.063 7 S CB 0.993 64.097 63.200 -0.160 0.000 0.848 7 S HN 0.820 nan 8.310 nan 0.000 0.499 8 R N 1.949 122.376 120.500 -0.123 0.000 2.115 8 R HA -0.032 4.309 4.340 0.001 0.000 0.230 8 R C 1.746 178.014 176.300 -0.052 0.000 1.111 8 R CA 1.287 57.340 56.100 -0.079 0.000 0.976 8 R CB -0.562 29.723 30.300 -0.026 0.000 0.870 8 R HN 0.624 nan 8.270 nan 0.000 0.445 9 V N 0.524 120.412 119.914 -0.044 0.000 2.341 9 V HA -0.124 3.997 4.120 0.001 0.000 0.240 9 V C 1.980 177.986 176.094 -0.148 0.000 1.035 9 V CA 1.340 63.640 62.300 0.001 0.000 1.033 9 V CB -0.284 31.576 31.823 0.062 0.000 0.678 9 V HN 0.252 nan 8.190 nan 0.000 0.464 10 Q N -0.144 119.578 119.800 -0.129 0.000 2.451 10 Q HA -0.001 4.340 4.340 0.001 0.000 0.206 10 Q C 0.095 175.969 176.000 -0.210 0.000 0.947 10 Q CA 0.064 55.776 55.803 -0.151 0.000 0.937 10 Q CB 0.208 28.893 28.738 -0.090 0.000 1.025 10 Q HN 0.398 nan 8.270 nan 0.000 0.511 11 K N 0.177 120.426 120.400 -0.252 0.000 3.069 11 K HA -0.182 4.139 4.320 0.001 0.000 0.267 11 K C -0.528 175.862 176.600 -0.351 0.000 1.082 11 K CA 0.649 56.744 56.287 -0.320 0.000 0.782 11 K CB -1.714 30.619 32.500 -0.279 0.000 1.230 11 K HN 0.232 nan 8.250 nan 0.000 0.488 12 I N 0.321 120.717 120.570 -0.288 0.000 2.353 12 I HA 0.177 4.348 4.170 0.001 0.000 0.293 12 I C 0.731 176.705 176.117 -0.238 0.000 0.992 12 I CA -0.654 60.526 61.300 -0.200 0.000 1.268 12 I CB 0.606 38.547 38.000 -0.098 0.000 1.387 12 I HN 0.059 nan 8.210 nan 0.000 0.478 13 W N 6.963 128.239 121.300 -0.040 0.000 2.437 13 W HA 0.425 5.086 4.660 0.001 0.000 0.312 13 W C 0.248 176.744 176.519 -0.038 0.000 1.242 13 W CA -0.408 56.916 57.345 -0.036 0.000 1.340 13 W CB 0.770 30.211 29.460 -0.031 0.000 1.327 13 W HN 0.295 nan 8.180 nan 0.000 0.476 14 V N 2.788 122.795 119.914 0.155 0.000 2.864 14 V HA 0.679 4.800 4.120 0.001 0.000 0.314 14 V C -2.317 173.827 176.094 0.083 0.000 1.073 14 V CA -3.452 58.897 62.300 0.082 0.000 0.956 14 V CB 1.820 33.648 31.823 0.009 0.000 1.023 14 V HN 0.270 nan 8.190 nan 0.000 0.435 15 P HA 0.177 nan 4.420 nan 0.000 0.276 15 P C 0.035 177.320 177.300 -0.025 0.000 1.230 15 P CA 0.133 63.245 63.100 0.020 0.000 0.776 15 P CB 1.387 33.091 31.700 0.007 0.000 0.888 16 V N 0.966 120.845 119.914 -0.058 0.000 2.485 16 V HA 0.137 4.258 4.120 0.001 0.000 0.287 16 V C 0.260 176.224 176.094 -0.217 0.000 1.022 16 V CA -0.244 61.949 62.300 -0.179 0.000 1.067 16 V CB -0.297 31.354 31.823 -0.287 0.000 0.967 16 V HN 0.586 nan 8.190 nan 0.000 0.479 17 D N 3.876 124.159 120.400 -0.195 0.000 2.499 17 D HA 0.112 4.753 4.640 0.001 0.000 0.225 17 D C 0.131 176.363 176.300 -0.113 0.000 1.124 17 D CA -0.433 53.498 54.000 -0.116 0.000 0.938 17 D CB 0.136 40.903 40.800 -0.056 0.000 1.014 17 D HN 0.692 nan 8.370 nan 0.000 0.517 18 H N 2.547 121.622 119.070 0.009 0.000 3.220 18 H HA 0.107 4.664 4.556 0.001 0.000 0.225 18 H C 0.335 175.666 175.328 0.005 0.000 1.869 18 H CA -0.130 55.923 56.048 0.007 0.000 1.428 18 H CB -0.245 29.522 29.762 0.009 0.000 1.792 18 H HN 0.242 nan 8.280 nan 0.000 0.595 19 R N 2.979 123.533 120.500 0.089 0.000 2.584 19 R HA -0.069 4.272 4.340 0.001 0.000 0.315 19 R C -1.705 174.630 176.300 0.057 0.000 0.863 19 R CA -0.564 55.568 56.100 0.054 0.000 1.139 19 R CB -0.154 30.166 30.300 0.033 0.000 0.880 19 R HN 0.437 nan 8.270 nan 0.000 0.413 20 P HA -0.085 nan 4.420 nan 0.000 0.272 20 P C 0.574 177.888 177.300 0.023 0.000 1.254 20 P CA -0.094 63.025 63.100 0.032 0.000 0.795 20 P CB 0.524 32.238 31.700 0.024 0.000 1.022 21 S N 0.608 116.317 115.700 0.015 0.000 2.451 21 S HA -0.241 4.230 4.470 0.001 0.000 0.272 21 S C 0.941 175.548 174.600 0.011 0.000 1.136 21 S CA 1.665 59.872 58.200 0.011 0.000 1.209 21 S CB -1.338 61.866 63.200 0.007 0.000 1.130 21 S HN 0.370 nan 8.310 nan 0.000 0.440 22 L N 3.487 124.716 121.223 0.010 0.000 2.360 22 L HA 0.468 4.808 4.340 0.001 0.000 0.265 22 L C -2.320 174.555 176.870 0.009 0.000 1.066 22 L CA -2.365 52.480 54.840 0.008 0.000 0.929 22 L CB 0.346 42.409 42.059 0.006 0.000 1.306 22 L HN 0.206 nan 8.230 nan 0.000 0.434 23 P HA 0.025 nan 4.420 nan 0.000 0.261 23 P C -0.181 177.121 177.300 0.005 0.000 1.203 23 P CA -0.077 63.029 63.100 0.009 0.000 0.767 23 P CB 0.662 32.368 31.700 0.010 0.000 0.785 24 R N 2.378 122.880 120.500 0.003 0.000 2.368 24 R HA 0.302 4.643 4.340 0.001 0.000 0.302 24 R C 1.155 177.454 176.300 -0.002 0.000 1.002 24 R CA -0.290 55.811 56.100 0.001 0.000 0.929 24 R CB 1.091 31.392 30.300 0.001 0.000 1.073 24 R HN 0.457 nan 8.270 nan 0.000 0.464 25 S N 2.380 118.078 115.700 -0.004 0.000 2.433 25 S HA 0.125 4.596 4.470 0.001 0.000 0.216 25 S C 0.450 175.045 174.600 -0.009 0.000 1.031 25 S CA 0.760 58.956 58.200 -0.008 0.000 0.931 25 S CB -0.167 63.028 63.200 -0.008 0.000 0.875 25 S HN 0.905 nan 8.310 nan 0.000 0.553 26 C N -0.976 118.319 119.300 -0.008 0.000 0.168 26 C HA 0.266 4.727 4.460 0.001 0.000 0.017 26 C C 1.423 176.407 174.990 -0.010 0.000 0.171 26 C CA -0.278 58.735 59.018 -0.008 0.000 0.499 26 C CB -2.003 25.732 27.740 -0.009 0.000 3.212 26 C HN 1.866 nan 8.230 nan 0.000 1.118 27 G N 1.793 110.586 108.800 -0.012 0.000 2.877 27 G HA2 0.233 4.194 3.960 0.001 0.000 0.279 27 G HA3 0.233 4.194 3.960 0.001 0.000 0.279 27 G C -1.237 173.656 174.900 -0.011 0.000 1.431 27 G CA 0.241 45.333 45.100 -0.014 0.000 0.883 27 G HN 1.462 nan 8.290 nan 0.000 0.547 33 S N 2.242 117.956 115.700 0.024 0.000 2.568 33 S HA 0.296 4.767 4.470 0.001 0.000 0.282 33 S C -1.816 172.797 174.600 0.021 0.000 1.338 33 S CA -0.431 57.799 58.200 0.050 0.000 1.045 33 S CB 0.416 63.666 63.200 0.083 0.000 0.873 33 S HN 0.484 nan 8.310 nan 0.000 0.516 34 P HA 0.260 nan 4.420 nan 0.000 0.276 34 P C -0.882 176.336 177.300 -0.136 0.000 1.244 34 P CA -0.382 62.633 63.100 -0.140 0.000 0.801 34 P CB 0.577 32.080 31.700 -0.328 0.000 1.006 35 T N 0.534 115.012 114.554 -0.126 0.000 2.829 35 T HA 0.337 4.688 4.350 0.001 0.000 0.280 35 T C -0.357 174.311 174.700 -0.053 0.000 0.999 35 T CA -0.431 61.641 62.100 -0.047 0.000 0.983 35 T CB 1.073 69.953 68.868 0.021 0.000 0.968 35 T HN 0.060 nan 8.240 nan 0.000 0.446 36 V N 4.637 124.547 119.914 -0.007 0.000 2.350 36 V HA 0.412 4.533 4.120 0.001 0.000 0.276 36 V C 0.008 176.126 176.094 0.040 0.000 1.028 36 V CA -0.688 61.623 62.300 0.018 0.000 0.860 36 V CB 0.851 32.706 31.823 0.053 0.000 0.990 36 V HN 0.777 nan 8.190 nan 0.000 0.453 37 I N 5.583 126.211 120.570 0.097 0.000 2.325 37 I HA 0.297 4.468 4.170 0.001 0.000 0.291 37 I C -0.302 175.843 176.117 0.046 0.000 1.019 37 I CA -0.409 60.960 61.300 0.114 0.000 1.302 37 I CB 1.647 39.771 38.000 0.207 0.000 1.401 37 I HN 0.276 nan 8.210 nan 0.000 0.485 38 V N 7.428 127.255 119.914 -0.145 0.000 2.333 38 V HA 0.291 4.411 4.120 0.001 0.000 0.274 38 V C 0.438 176.547 176.094 0.025 0.000 1.028 38 V CA -0.666 61.567 62.300 -0.112 0.000 0.851 38 V CB 1.118 32.616 31.823 -0.541 0.000 1.000 38 V HN 0.594 nan 8.190 nan 0.000 0.456 39 M N 5.208 124.868 119.600 0.101 0.000 2.233 39 M HA 0.474 4.955 4.480 0.001 0.000 0.350 39 M C -0.438 175.930 176.300 0.114 0.000 1.176 39 M CA -0.068 55.287 55.300 0.092 0.000 1.150 39 M CB 1.121 33.754 32.600 0.056 0.000 1.530 39 M HN 0.347 nan 8.290 nan 0.000 0.459 40 V N 1.269 121.249 119.914 0.109 0.000 2.760 40 V HA 0.974 5.094 4.120 0.001 0.000 0.309 40 V C 0.165 176.280 176.094 0.035 0.000 1.077 40 V CA -0.519 61.846 62.300 0.107 0.000 0.910 40 V CB 1.898 33.833 31.823 0.187 0.000 1.008 40 V HN 1.092 nan 8.190 nan 0.000 0.424 41 G N 2.868 111.620 108.800 -0.081 0.000 2.345 41 G HA2 0.239 4.200 3.960 0.001 0.000 0.310 41 G HA3 0.239 4.200 3.960 0.001 0.000 0.310 41 G C -1.431 173.218 174.900 -0.419 0.000 1.476 41 G CA -1.084 43.875 45.100 -0.234 0.000 0.978 41 G HN 0.664 nan 8.290 nan 0.000 0.656 42 L N 1.677 122.584 121.223 -0.526 0.000 2.473 42 L HA 0.327 4.667 4.340 0.001 0.000 0.268 42 L C -1.317 175.365 176.870 -0.314 0.000 1.215 42 L CA -1.422 53.134 54.840 -0.473 0.000 0.823 42 L CB 0.484 42.341 42.059 -0.338 0.000 1.099 42 L HN 0.380 nan 8.230 nan 0.000 0.483 43 P HA 0.037 nan 4.420 nan 0.000 0.272 43 P C -0.169 177.155 177.300 0.040 0.000 1.230 43 P CA 0.113 63.120 63.100 -0.156 0.000 0.788 43 P CB 0.866 32.413 31.700 -0.255 0.000 0.949 44 A N 0.955 123.856 122.820 0.136 0.000 2.930 44 A HA -0.203 4.117 4.320 0.001 0.000 0.273 44 A C 0.986 178.583 177.584 0.023 0.000 1.435 44 A CA 0.884 52.982 52.037 0.102 0.000 0.780 44 A CB -2.484 16.623 19.000 0.178 0.000 1.034 44 A HN 0.503 nan 8.150 nan 0.000 0.562 45 R N -0.944 119.560 120.500 0.007 0.000 2.437 45 R HA 0.429 4.769 4.340 0.001 0.000 0.257 45 R C 1.624 177.933 176.300 0.015 0.000 0.927 45 R CA 1.479 57.575 56.100 -0.006 0.000 1.078 45 R CB 0.313 30.598 30.300 -0.026 0.000 1.161 45 R HN 1.870 nan 8.270 nan 0.000 0.529 46 G N 0.659 109.486 108.800 0.045 0.000 2.132 46 G HA2 -0.329 3.631 3.960 0.001 0.000 0.234 46 G HA3 -0.329 3.631 3.960 0.001 0.000 0.234 46 G C 0.784 175.792 174.900 0.180 0.000 0.989 46 G CA 0.533 45.697 45.100 0.107 0.000 0.676 46 G HN 0.347 nan 8.290 nan 0.000 0.522 47 K N -0.524 119.945 120.400 0.115 0.000 2.057 47 K HA -0.037 4.283 4.320 0.001 0.000 0.206 47 K C 2.561 179.219 176.600 0.096 0.000 1.050 47 K CA 1.735 58.078 56.287 0.094 0.000 0.935 47 K CB -0.275 32.244 32.500 0.033 0.000 0.715 47 K HN 0.321 nan 8.250 nan 0.000 0.439 48 T N 0.570 115.177 114.554 0.088 0.000 2.821 48 T HA -0.172 4.179 4.350 0.001 0.000 0.267 48 T C 1.532 176.237 174.700 0.008 0.000 1.046 48 T CA 1.122 63.203 62.100 -0.031 0.000 1.139 48 T CB -0.343 68.433 68.868 -0.153 0.000 0.871 48 T HN 0.265 nan 8.240 nan 0.000 0.454 49 Y N 1.712 122.100 120.300 0.147 0.000 2.070 49 Y HA -0.144 4.407 4.550 0.001 0.000 0.280 49 Y C 2.044 178.016 175.900 0.119 0.000 1.148 49 Y CA 1.185 59.431 58.100 0.243 0.000 1.125 49 Y CB -0.490 38.107 38.460 0.228 0.000 0.975 49 Y HN 0.148 nan 8.280 nan 0.000 0.492 50 I N -0.636 120.083 120.570 0.249 0.000 2.208 50 I HA -0.373 3.797 4.170 0.001 0.000 0.245 50 I C 2.477 178.637 176.117 0.071 0.000 1.097 50 I CA 1.566 62.959 61.300 0.155 0.000 1.363 50 I CB -0.612 37.515 38.000 0.212 0.000 1.051 50 I HN 0.194 nan 8.210 nan 0.000 0.413 51 S N 0.725 116.454 115.700 0.049 0.000 2.351 51 S HA -0.228 4.243 4.470 0.001 0.000 0.220 51 S C 1.969 176.549 174.600 -0.035 0.000 1.035 51 S CA 1.506 59.715 58.200 0.016 0.000 1.031 51 S CB -0.259 62.928 63.200 -0.022 0.000 0.928 51 S HN 0.373 nan 8.310 nan 0.000 0.433 52 K N 0.951 121.284 120.400 -0.111 0.000 2.057 52 K HA -0.111 4.209 4.320 0.001 0.000 0.207 52 K C 2.303 178.833 176.600 -0.118 0.000 1.049 52 K CA 1.273 57.474 56.287 -0.143 0.000 0.931 52 K CB -0.152 32.224 32.500 -0.206 0.000 0.714 52 K HN 0.209 nan 8.250 nan 0.000 0.440 53 K N 0.947 121.256 120.400 -0.152 0.000 2.025 53 K HA -0.141 4.180 4.320 0.001 0.000 0.207 53 K C 2.115 178.759 176.600 0.074 0.000 1.049 53 K CA 0.848 57.075 56.287 -0.100 0.000 0.933 53 K CB -0.110 32.265 32.500 -0.208 0.000 0.714 53 K HN -0.033 nan 8.250 nan 0.000 0.438 54 L N 1.130 122.426 121.223 0.123 0.000 2.042 54 L HA -0.165 4.175 4.340 0.001 0.000 0.210 54 L C 1.945 178.864 176.870 0.082 0.000 1.076 54 L CA 2.000 56.924 54.840 0.140 0.000 0.749 54 L CB -0.794 41.372 42.059 0.178 0.000 0.893 54 L HN 0.214 nan 8.230 nan 0.000 0.432 55 T N -0.889 113.695 114.554 0.050 0.000 2.821 55 T HA -0.194 4.156 4.350 0.001 0.000 0.267 55 T C 1.983 176.697 174.700 0.024 0.000 1.046 55 T CA 1.463 63.582 62.100 0.033 0.000 1.139 55 T CB -0.201 68.662 68.868 -0.008 0.000 0.871 55 T HN 0.322 nan 8.240 nan 0.000 0.454 56 R N -0.319 120.181 120.500 -0.000 0.000 2.070 56 R HA -0.135 4.205 4.340 0.001 0.000 0.233 56 R C 2.294 178.653 176.300 0.099 0.000 1.137 56 R CA 1.473 57.558 56.100 -0.025 0.000 0.945 56 R CB -0.528 29.678 30.300 -0.158 0.000 0.845 56 R HN 0.452 nan 8.270 nan 0.000 0.430 57 Y N 1.182 121.482 120.300 0.001 0.000 2.070 57 Y HA -0.248 4.303 4.550 0.001 0.000 0.280 57 Y C 1.874 177.830 175.900 0.094 0.000 1.148 57 Y CA 2.023 60.167 58.100 0.073 0.000 1.125 57 Y CB -0.573 37.575 38.460 -0.521 0.000 0.975 57 Y HN 0.054 nan 8.280 nan 0.000 0.492 58 L N 0.288 121.463 121.223 -0.079 0.000 2.013 58 L HA -0.329 4.012 4.340 0.001 0.000 0.212 58 L C 2.120 178.950 176.870 -0.067 0.000 1.073 58 L CA 2.199 56.964 54.840 -0.124 0.000 0.753 58 L CB -0.816 41.253 42.059 0.017 0.000 0.890 58 L HN 0.350 nan 8.230 nan 0.000 0.432 59 N N -1.401 117.309 118.700 0.017 0.000 2.188 59 N HA -0.231 4.509 4.740 0.001 0.000 0.184 59 N C 1.586 177.123 175.510 0.045 0.000 1.018 59 N CA 1.144 54.213 53.050 0.031 0.000 0.858 59 N CB -0.194 38.319 38.487 0.045 0.000 0.989 59 N HN 0.326 nan 8.380 nan 0.000 0.426 60 W N 2.465 123.709 121.300 -0.094 0.000 2.355 60 W HA -0.054 4.607 4.660 0.001 0.000 0.309 60 W C 1.640 178.089 176.519 -0.118 0.000 1.206 60 W CA 1.096 58.403 57.345 -0.063 0.000 1.284 60 W CB -0.230 29.260 29.460 0.050 0.000 1.145 60 W HN 0.045 nan 8.180 nan 0.000 0.502 61 I N -1.060 119.399 120.570 -0.186 0.000 3.444 61 I HA 0.320 4.491 4.170 0.001 0.000 0.287 61 I C 1.525 177.503 176.117 -0.233 0.000 1.302 61 I CA 1.137 62.229 61.300 -0.346 0.000 1.368 61 I CB -0.910 36.879 38.000 -0.351 0.000 1.048 61 I HN 0.260 nan 8.210 nan 0.000 0.487 62 G N 1.040 109.742 108.800 -0.163 0.000 2.179 62 G HA2 -0.200 3.761 3.960 0.001 0.000 0.220 62 G HA3 -0.200 3.761 3.960 0.001 0.000 0.220 62 G C 0.107 174.980 174.900 -0.044 0.000 0.990 62 G CA -0.023 45.026 45.100 -0.084 0.000 0.646 62 G HN 0.268 nan 8.290 nan 0.000 0.517 63 V N 3.569 123.455 119.914 -0.047 0.000 2.339 63 V HA 0.370 4.490 4.120 0.001 0.000 0.261 63 V C -1.498 174.605 176.094 0.015 0.000 1.058 63 V CA -1.513 60.777 62.300 -0.016 0.000 0.897 63 V CB 1.012 32.830 31.823 -0.008 0.000 1.052 63 V HN 0.249 nan 8.190 nan 0.000 0.480 64 P HA 0.085 nan 4.420 nan 0.000 0.258 64 P C -0.131 177.273 177.300 0.174 0.000 1.187 64 P CA 0.577 63.727 63.100 0.083 0.000 0.767 64 P CB 0.372 32.104 31.700 0.054 0.000 0.770 65 T N 3.576 118.256 114.554 0.210 0.000 2.906 65 T HA 0.548 4.899 4.350 0.001 0.000 0.295 65 T C -0.564 174.223 174.700 0.144 0.000 1.061 65 T CA -0.661 61.590 62.100 0.251 0.000 1.000 65 T CB 2.460 71.410 68.868 0.137 0.000 1.103 65 T HN 0.320 nan 8.240 nan 0.000 0.486 66 K N 1.381 121.809 120.400 0.048 0.000 2.527 66 K HA 0.658 4.979 4.320 0.001 0.000 0.260 66 K C -1.595 174.858 176.600 -0.245 0.000 0.937 66 K CA -0.669 55.445 56.287 -0.288 0.000 0.826 66 K CB 2.060 34.071 32.500 -0.815 0.000 1.359 66 K HN 0.383 nan 8.250 nan 0.000 0.434 67 V N 3.706 123.412 119.914 -0.346 0.000 2.509 67 V HA 0.431 4.551 4.120 0.001 0.000 0.284 67 V C -0.778 175.023 176.094 -0.488 0.000 1.047 67 V CA -0.413 61.744 62.300 -0.238 0.000 0.952 67 V CB 0.826 32.539 31.823 -0.182 0.000 0.988 67 V HN 0.562 nan 8.190 nan 0.000 0.469 68 F N 3.040 122.976 119.950 -0.023 0.000 2.359 68 F HA 0.378 4.906 4.527 0.001 0.000 0.370 68 F C 0.363 176.114 175.800 -0.081 0.000 1.077 68 F CA -0.606 57.408 58.000 0.024 0.000 1.136 68 F CB 0.857 39.907 39.000 0.082 0.000 1.387 68 F HN 0.476 nan 8.300 nan 0.000 0.468 69 N N 1.858 120.585 118.700 0.046 0.000 2.406 69 N HA 0.199 4.940 4.740 0.001 0.000 0.251 69 N C 0.841 176.410 175.510 0.098 0.000 1.069 69 N CA -0.114 52.927 53.050 -0.014 0.000 0.947 69 N CB 1.154 39.611 38.487 -0.050 0.000 1.111 69 N HN 0.341 nan 8.380 nan 0.000 0.497 70 V N 3.241 123.108 119.914 -0.078 0.000 2.490 70 V HA -0.123 3.997 4.120 0.001 0.000 0.250 70 V C 2.244 178.419 176.094 0.134 0.000 1.061 70 V CA 2.104 64.386 62.300 -0.030 0.000 1.064 70 V CB -1.061 30.654 31.823 -0.180 0.000 0.670 70 V HN 0.875 nan 8.190 nan 0.000 0.461 71 G N -0.149 108.702 108.800 0.085 0.000 2.440 71 G HA2 -0.257 3.704 3.960 0.001 0.000 0.218 71 G HA3 -0.257 3.704 3.960 0.001 0.000 0.218 71 G C 1.451 176.403 174.900 0.085 0.000 1.154 71 G CA 0.924 46.084 45.100 0.100 0.000 0.767 71 G HN 0.579 nan 8.290 nan 0.000 0.552 72 E N -0.559 119.685 120.200 0.073 0.000 2.150 72 E HA -0.102 4.248 4.350 0.001 0.000 0.193 72 E C 2.139 178.735 176.600 -0.007 0.000 0.985 72 E CA 0.670 57.069 56.400 -0.002 0.000 0.814 72 E CB -0.190 29.469 29.700 -0.069 0.000 0.752 72 E HN 0.607 nan 8.360 nan 0.000 0.466 73 Y N 0.661 120.960 120.300 -0.001 0.000 2.242 73 Y HA -0.146 4.405 4.550 0.001 0.000 0.291 73 Y C 2.477 178.389 175.900 0.020 0.000 1.137 73 Y CA 1.024 59.137 58.100 0.022 0.000 1.181 73 Y CB -0.061 38.428 38.460 0.048 0.000 0.989 73 Y HN -0.070 nan 8.280 nan 0.000 0.527 74 R N 1.024 121.627 120.500 0.173 0.000 2.066 74 R HA -0.108 4.232 4.340 0.001 0.000 0.232 74 R C 2.063 178.357 176.300 -0.011 0.000 1.131 74 R CA 1.323 57.473 56.100 0.084 0.000 0.955 74 R CB -0.294 30.055 30.300 0.082 0.000 0.851 74 R HN 0.275 nan 8.270 nan 0.000 0.432 75 R N 0.215 120.701 120.500 -0.023 0.000 2.152 75 R HA -0.144 4.197 4.340 0.001 0.000 0.232 75 R C 2.014 178.286 176.300 -0.047 0.000 1.117 75 R CA 1.455 57.521 56.100 -0.056 0.000 0.981 75 R CB -0.091 30.174 30.300 -0.058 0.000 0.870 75 R HN 0.198 nan 8.270 nan 0.000 0.451 76 E N 0.461 120.638 120.200 -0.039 0.000 2.158 76 E HA -0.031 4.320 4.350 0.001 0.000 0.191 76 E C 1.525 178.117 176.600 -0.014 0.000 0.982 76 E CA 1.322 57.695 56.400 -0.045 0.000 0.823 76 E CB 0.060 29.707 29.700 -0.088 0.000 0.766 76 E HN 0.274 nan 8.360 nan 0.000 0.468 77 A N -0.201 122.628 122.820 0.014 0.000 2.030 77 A HA 0.175 4.496 4.320 0.001 0.000 0.215 77 A C 0.631 178.225 177.584 0.016 0.000 1.164 77 A CA 0.615 52.672 52.037 0.034 0.000 0.697 77 A CB 0.460 19.506 19.000 0.076 0.000 0.827 77 A HN 0.059 nan 8.150 nan 0.000 0.457 78 V N 1.287 121.190 119.914 -0.019 0.000 2.289 78 V HA 0.163 4.284 4.120 0.001 0.000 0.272 78 V C 0.599 176.659 176.094 -0.057 0.000 1.026 78 V CA -0.681 61.592 62.300 -0.046 0.000 0.807 78 V CB 0.809 32.554 31.823 -0.130 0.000 1.044 78 V HN 0.352 nan 8.190 nan 0.000 0.443 79 K N 1.758 122.139 120.400 -0.032 0.000 2.044 79 K HA -0.221 4.100 4.320 0.001 0.000 0.224 79 K C 1.096 177.678 176.600 -0.030 0.000 1.056 79 K CA 1.884 58.154 56.287 -0.028 0.000 0.962 79 K CB -0.157 32.332 32.500 -0.018 0.000 0.730 79 K HN 0.649 nan 8.250 nan 0.000 0.453 80 Q N -0.906 118.877 119.800 -0.028 0.000 2.353 80 Q HA 0.261 4.602 4.340 0.001 0.000 0.268 80 Q C -1.519 174.474 176.000 -0.011 0.000 1.045 80 Q CA -0.868 54.928 55.803 -0.012 0.000 0.811 80 Q CB 0.950 29.684 28.738 -0.006 0.000 1.305 80 Q HN 0.201 nan 8.270 nan 0.000 0.447 81 Y N 1.950 122.167 120.300 -0.140 0.000 2.379 81 Y HA 0.269 4.820 4.550 0.001 0.000 0.337 81 Y C 0.685 176.527 175.900 -0.095 0.000 1.238 81 Y CA 1.266 59.266 58.100 -0.167 0.000 1.405 81 Y CB 0.974 39.314 38.460 -0.199 0.000 1.310 81 Y HN 0.822 nan 8.280 nan 0.000 0.569 82 S N 0.771 116.059 115.700 -0.687 0.000 3.039 82 S HA 0.373 4.844 4.470 0.001 0.000 0.251 82 S C 0.059 174.305 174.600 -0.590 0.000 1.064 82 S CA 0.309 58.238 58.200 -0.451 0.000 0.822 82 S CB -0.180 62.858 63.200 -0.271 0.000 0.802 82 S HN 0.863 nan 8.310 nan 0.000 0.519 83 S N 0.168 115.331 115.700 -0.895 0.000 2.669 83 S HA 0.358 4.828 4.470 0.001 0.000 0.266 83 S C 0.270 174.755 174.600 -0.191 0.000 1.149 83 S CA -0.270 57.663 58.200 -0.444 0.000 0.842 83 S CB -0.329 62.760 63.200 -0.185 0.000 1.160 83 S HN 0.605 nan 8.310 nan 0.000 0.487 84 Y N 1.127 121.565 120.300 0.230 0.000 2.483 84 Y HA 0.158 4.708 4.550 0.001 0.000 0.291 84 Y C 1.591 177.680 175.900 0.314 0.000 1.143 84 Y CA 1.251 59.594 58.100 0.405 0.000 1.289 84 Y CB -0.991 37.629 38.460 0.266 0.000 0.983 84 Y HN 0.545 nan 8.280 nan 0.000 0.556 85 N N 0.819 119.166 118.700 -0.588 0.000 2.192 85 N HA -0.247 4.494 4.740 0.001 0.000 0.188 85 N C 1.561 177.002 175.510 -0.116 0.000 1.013 85 N CA 1.703 54.512 53.050 -0.403 0.000 0.863 85 N CB -0.690 37.560 38.487 -0.395 0.000 0.990 85 N HN 0.563 nan 8.380 nan 0.000 0.430 86 F N 0.664 120.502 119.950 -0.187 0.000 2.202 86 F HA -0.142 4.386 4.527 0.001 0.000 0.301 86 F C 1.306 176.906 175.800 -0.332 0.000 1.082 86 F CA 1.286 59.120 58.000 -0.277 0.000 1.313 86 F CB -0.223 38.554 39.000 -0.371 0.000 1.024 86 F HN -0.095 nan 8.300 nan 0.000 0.495 87 F N 0.431 120.457 119.950 0.126 0.000 2.732 87 F HA 0.231 4.759 4.527 0.001 0.000 0.303 87 F C 0.963 176.697 175.800 -0.110 0.000 1.110 87 F CA -0.257 57.745 58.000 0.002 0.000 1.355 87 F CB -0.496 38.558 39.000 0.090 0.000 1.081 87 F HN -0.397 nan 8.300 nan 0.000 0.565 88 R N 2.319 122.844 120.500 0.043 0.000 2.570 88 R HA 0.024 4.364 4.340 0.001 0.000 0.277 88 R C -1.315 174.949 176.300 -0.059 0.000 1.039 88 R CA -1.046 55.065 56.100 0.017 0.000 1.065 88 R CB -0.061 30.242 30.300 0.005 0.000 0.964 88 R HN -0.047 nan 8.270 nan 0.000 0.428 89 P HA -0.170 nan 4.420 nan 0.000 0.222 89 P C 0.092 177.358 177.300 -0.056 0.000 1.147 89 P CA 1.226 64.292 63.100 -0.056 0.000 0.790 89 P CB 0.179 31.861 31.700 -0.031 0.000 0.780 90 D N -2.046 118.324 120.400 -0.050 0.000 2.339 90 D HA -0.067 4.573 4.640 0.001 0.000 0.217 90 D C 0.644 176.897 176.300 -0.080 0.000 1.050 90 D CA -0.050 53.919 54.000 -0.051 0.000 0.856 90 D CB -1.318 39.463 40.800 -0.032 0.000 0.922 90 D HN -0.042 nan 8.370 nan 0.000 0.518 91 N N 1.973 120.602 118.700 -0.120 0.000 3.178 91 N HA -0.067 4.674 4.740 0.001 0.000 0.300 91 N C 1.023 176.425 175.510 -0.180 0.000 1.242 91 N CA 0.034 52.980 53.050 -0.173 0.000 1.192 91 N CB 0.023 38.348 38.487 -0.271 0.000 1.463 91 N HN 0.375 nan 8.380 nan 0.000 0.539 92 E N 0.964 121.091 120.200 -0.121 0.000 2.136 92 E HA -0.287 4.064 4.350 0.001 0.000 0.202 92 E C 1.087 177.617 176.600 -0.117 0.000 1.019 92 E CA 1.478 57.818 56.400 -0.100 0.000 0.819 92 E CB 0.132 29.791 29.700 -0.068 0.000 0.739 92 E HN 0.631 nan 8.360 nan 0.000 0.458 93 E N -0.515 119.605 120.200 -0.132 0.000 2.046 93 E HA -0.159 4.192 4.350 0.001 0.000 0.190 93 E C 2.026 178.510 176.600 -0.193 0.000 0.982 93 E CA 0.823 57.148 56.400 -0.125 0.000 0.800 93 E CB -0.153 29.486 29.700 -0.101 0.000 0.756 93 E HN 0.382 nan 8.360 nan 0.000 0.449 94 A N 1.059 123.666 122.820 -0.356 0.000 1.978 94 A HA -0.191 4.130 4.320 0.001 0.000 0.220 94 A C 2.124 179.442 177.584 -0.444 0.000 1.170 94 A CA 1.342 52.974 52.037 -0.676 0.000 0.636 94 A CB -0.384 17.822 19.000 -1.324 0.000 0.810 94 A HN 0.254 nan 8.150 nan 0.000 0.448 95 M N -0.230 119.196 119.600 -0.289 0.000 2.159 95 M HA -0.129 4.352 4.480 0.001 0.000 0.263 95 M C 1.943 178.194 176.300 -0.082 0.000 1.063 95 M CA 1.528 56.734 55.300 -0.157 0.000 1.110 95 M CB -1.036 31.499 32.600 -0.109 0.000 1.374 95 M HN 0.420 nan 8.290 nan 0.000 0.411 96 K N -0.276 120.078 120.400 -0.077 0.000 2.057 96 K HA -0.089 4.231 4.320 0.001 0.000 0.207 96 K C 2.032 178.632 176.600 0.001 0.000 1.049 96 K CA 1.169 57.439 56.287 -0.028 0.000 0.931 96 K CB -0.243 32.242 32.500 -0.025 0.000 0.714 96 K HN 0.163 nan 8.250 nan 0.000 0.440 97 V N 1.451 121.362 119.914 -0.004 0.000 2.343 97 V HA -0.239 3.882 4.120 0.001 0.000 0.247 97 V C 2.250 178.408 176.094 0.106 0.000 1.051 97 V CA 1.642 63.983 62.300 0.070 0.000 1.036 97 V CB -0.478 31.427 31.823 0.137 0.000 0.654 97 V HN 0.287 nan 8.190 nan 0.000 0.451 98 R N 0.112 120.659 120.500 0.078 0.000 2.066 98 R HA -0.175 4.166 4.340 0.001 0.000 0.232 98 R C 2.434 178.796 176.300 0.102 0.000 1.131 98 R CA 1.731 57.905 56.100 0.123 0.000 0.955 98 R CB -0.370 29.987 30.300 0.095 0.000 0.851 98 R HN 0.454 nan 8.270 nan 0.000 0.432 99 K N 1.148 121.589 120.400 0.067 0.000 2.032 99 K HA -0.226 4.095 4.320 0.001 0.000 0.209 99 K C 2.098 178.737 176.600 0.064 0.000 1.048 99 K CA 1.652 57.978 56.287 0.067 0.000 0.927 99 K CB 0.049 32.576 32.500 0.045 0.000 0.712 99 K HN 0.151 nan 8.250 nan 0.000 0.441 100 Q N -0.267 119.570 119.800 0.062 0.000 2.124 100 Q HA -0.178 4.162 4.340 0.001 0.000 0.202 100 Q C 2.284 178.329 176.000 0.074 0.000 0.977 100 Q CA 1.633 57.474 55.803 0.064 0.000 0.850 100 Q CB -0.063 28.714 28.738 0.066 0.000 0.901 100 Q HN 0.452 nan 8.270 nan 0.000 0.429 101 C N -0.371 118.986 119.300 0.094 0.000 2.446 101 C HA -0.085 4.375 4.460 0.001 0.000 0.277 101 C C 2.806 177.790 174.990 -0.010 0.000 1.275 101 C CA 0.729 59.807 59.018 0.100 0.000 1.727 101 C CB -1.072 26.760 27.740 0.153 0.000 2.010 101 C HN 0.642 nan 8.230 nan 0.000 0.486 102 A N 0.348 123.193 122.820 0.042 0.000 1.877 102 A HA -0.101 4.220 4.320 0.001 0.000 0.216 102 A C 2.090 179.701 177.584 0.044 0.000 1.186 102 A CA 1.453 53.551 52.037 0.102 0.000 0.620 102 A CB -0.651 18.464 19.000 0.192 0.000 0.822 102 A HN 0.606 nan 8.150 nan 0.000 0.443 103 L N -0.856 120.365 121.223 -0.002 0.000 2.141 103 L HA -0.169 4.172 4.340 0.001 0.000 0.209 103 L C 3.030 179.859 176.870 -0.069 0.000 1.094 103 L CA 0.892 55.698 54.840 -0.057 0.000 0.763 103 L CB -0.478 41.578 42.059 -0.005 0.000 0.908 103 L HN 0.454 nan 8.230 nan 0.000 0.437 104 A N 0.003 122.800 122.820 -0.039 0.000 1.930 104 A HA -0.096 4.225 4.320 0.001 0.000 0.217 104 A C 2.542 180.058 177.584 -0.113 0.000 1.175 104 A CA 1.487 53.527 52.037 0.004 0.000 0.627 104 A CB -0.554 18.521 19.000 0.126 0.000 0.815 104 A HN 0.374 nan 8.150 nan 0.000 0.443 105 A N -0.127 122.444 122.820 -0.415 0.000 1.902 105 A HA -0.028 4.292 4.320 0.001 0.000 0.217 105 A C 2.154 179.607 177.584 -0.218 0.000 1.181 105 A CA 1.445 53.152 52.037 -0.550 0.000 0.623 105 A CB -0.595 18.065 19.000 -0.567 0.000 0.818 105 A HN 0.464 nan 8.150 nan 0.000 0.443 106 L N -1.152 119.908 121.223 -0.272 0.000 2.046 106 L HA -0.191 4.150 4.340 0.001 0.000 0.208 106 L C 2.764 179.462 176.870 -0.287 0.000 1.077 106 L CA 1.704 56.168 54.840 -0.627 0.000 0.747 106 L CB -0.494 40.875 42.059 -1.149 0.000 0.896 106 L HN 0.467 nan 8.230 nan 0.000 0.432 107 R N 0.386 120.818 120.500 -0.114 0.000 2.096 107 R HA -0.227 4.113 4.340 0.001 0.000 0.240 107 R C 1.843 178.192 176.300 0.083 0.000 1.139 107 R CA 2.275 58.408 56.100 0.055 0.000 0.952 107 R CB -0.192 30.147 30.300 0.066 0.000 0.854 107 R HN 0.309 nan 8.270 nan 0.000 0.436 108 D N -0.433 120.001 120.400 0.056 0.000 2.178 108 D HA -0.100 4.541 4.640 0.001 0.000 0.202 108 D C 1.867 178.113 176.300 -0.091 0.000 0.974 108 D CA 0.841 54.916 54.000 0.125 0.000 0.841 108 D CB -0.009 41.020 40.800 0.382 0.000 0.953 108 D HN 0.104 nan 8.370 nan 0.000 0.478 109 V N 0.804 120.472 119.914 -0.410 0.000 2.358 109 V HA -0.227 3.893 4.120 0.001 0.000 0.246 109 V C 2.416 178.556 176.094 0.077 0.000 1.047 109 V CA 1.543 63.556 62.300 -0.479 0.000 1.035 109 V CB -0.333 31.244 31.823 -0.409 0.000 0.658 109 V HN 0.169 nan 8.190 nan 0.000 0.452 110 K N -0.048 120.530 120.400 0.296 0.000 2.026 110 K HA -0.196 4.125 4.320 0.001 0.000 0.208 110 K C 2.453 179.205 176.600 0.252 0.000 1.048 110 K CA 1.811 58.335 56.287 0.395 0.000 0.929 110 K CB -0.384 32.320 32.500 0.339 0.000 0.713 110 K HN 0.363 nan 8.250 nan 0.000 0.439 111 S N -0.554 115.267 115.700 0.201 0.000 2.399 111 S HA -0.185 4.285 4.470 0.001 0.000 0.231 111 S C 1.800 176.536 174.600 0.225 0.000 1.022 111 S CA 1.077 59.389 58.200 0.186 0.000 0.983 111 S CB -0.433 62.876 63.200 0.181 0.000 0.803 111 S HN 0.538 nan 8.310 nan 0.000 0.480 112 Y N 1.859 122.224 120.300 0.109 0.000 2.176 112 Y HA 0.145 4.696 4.550 0.001 0.000 0.291 112 Y C 1.829 177.764 175.900 0.059 0.000 1.122 112 Y CA 1.475 59.651 58.100 0.127 0.000 1.128 112 Y CB -0.588 38.015 38.460 0.238 0.000 1.005 112 Y HN 0.224 nan 8.280 nan 0.000 0.509 113 L N -0.434 120.717 121.223 -0.119 0.000 2.156 113 L HA -0.039 4.301 4.340 0.001 0.000 0.208 113 L C 2.390 179.207 176.870 -0.088 0.000 1.095 113 L CA 1.130 55.782 54.840 -0.314 0.000 0.770 113 L CB -0.716 40.969 42.059 -0.624 0.000 0.914 113 L HN 0.311 nan 8.230 nan 0.000 0.439 114 A N -0.542 122.331 122.820 0.088 0.000 2.197 114 A HA 0.080 4.400 4.320 0.001 0.000 0.210 114 A C 1.815 179.432 177.584 0.054 0.000 1.180 114 A CA 0.242 52.347 52.037 0.114 0.000 0.846 114 A CB 0.209 19.312 19.000 0.171 0.000 0.884 114 A HN 0.290 nan 8.150 nan 0.000 0.487 115 K N -0.895 119.536 120.400 0.053 0.000 2.517 115 K HA 0.196 4.516 4.320 0.001 0.000 0.210 115 K C 0.061 176.688 176.600 0.045 0.000 1.166 115 K CA 0.191 56.507 56.287 0.048 0.000 1.030 115 K CB 0.907 33.448 32.500 0.068 0.000 0.974 115 K HN 0.347 nan 8.250 nan 0.000 0.585 116 E N 0.220 120.439 120.200 0.032 0.000 2.630 116 E HA 0.122 4.473 4.350 0.001 0.000 0.218 116 E C 0.480 177.061 176.600 -0.031 0.000 0.977 116 E CA 0.146 56.576 56.400 0.051 0.000 1.038 116 E CB 1.317 31.130 29.700 0.189 0.000 1.051 116 E HN 0.370 nan 8.360 nan 0.000 0.487 117 G N 1.379 110.114 108.800 -0.109 0.000 2.179 117 G HA2 -0.277 3.684 3.960 0.001 0.000 0.260 117 G HA3 -0.277 3.684 3.960 0.001 0.000 0.260 117 G C 0.596 175.337 174.900 -0.265 0.000 0.977 117 G CA -0.132 44.885 45.100 -0.138 0.000 0.641 117 G HN 0.447 nan 8.290 nan 0.000 0.533 118 G N -1.166 107.269 108.800 -0.609 0.000 2.544 118 G HA2 0.460 4.420 3.960 0.001 0.000 0.242 118 G HA3 0.460 4.420 3.960 0.001 0.000 0.242 118 G C 0.581 175.148 174.900 -0.555 0.000 1.247 118 G CA 0.618 45.122 45.100 -0.992 0.000 0.840 118 G HN 0.200 nan 8.290 nan 0.000 0.578 119 Q N -0.268 119.361 119.800 -0.285 0.000 2.462 119 Q HA 0.159 4.500 4.340 0.001 0.000 0.224 119 Q C 0.534 176.473 176.000 -0.102 0.000 0.911 119 Q CA 0.641 56.346 55.803 -0.163 0.000 0.925 119 Q CB 0.385 29.075 28.738 -0.079 0.000 1.063 119 Q HN 0.460 nan 8.270 nan 0.000 0.572 120 I N 0.829 121.413 120.570 0.023 0.000 2.474 120 I HA 0.533 4.704 4.170 0.001 0.000 0.294 120 I C -0.616 175.681 176.117 0.300 0.000 1.005 120 I CA -0.900 60.464 61.300 0.107 0.000 1.113 120 I CB 1.510 39.579 38.000 0.114 0.000 1.289 120 I HN -0.089 nan 8.210 nan 0.000 0.436 121 A N 6.173 129.143 122.820 0.250 0.000 2.335 121 A HA 0.680 5.001 4.320 0.001 0.000 0.304 121 A C -0.836 176.928 177.584 0.299 0.000 1.118 121 A CA -0.509 51.760 52.037 0.386 0.000 0.757 121 A CB 1.275 20.448 19.000 0.289 0.000 1.188 121 A HN 0.394 nan 8.150 nan 0.000 0.460 122 V N 3.141 123.254 119.914 0.331 0.000 2.348 122 V HA 0.229 4.350 4.120 0.001 0.000 0.270 122 V C -0.527 175.758 176.094 0.318 0.000 1.037 122 V CA -0.160 62.291 62.300 0.251 0.000 0.872 122 V CB 0.456 32.371 31.823 0.154 0.000 1.002 122 V HN 0.745 nan 8.190 nan 0.000 0.464 123 F N 4.642 124.653 119.950 0.100 0.000 2.423 123 F HA 0.363 4.891 4.527 0.001 0.000 0.356 123 F C 0.394 176.225 175.800 0.051 0.000 1.170 123 F CA -1.018 57.021 58.000 0.066 0.000 1.163 123 F CB 0.446 39.432 39.000 -0.023 0.000 1.318 123 F HN 0.531 nan 8.300 nan 0.000 0.569 124 D N 5.042 125.314 120.400 -0.214 0.000 2.428 124 D HA 0.603 5.243 4.640 0.001 0.000 0.221 124 D C -0.856 175.266 176.300 -0.297 0.000 1.123 124 D CA 0.090 53.981 54.000 -0.182 0.000 0.869 124 D CB 0.575 41.312 40.800 -0.105 0.000 1.032 124 D HN 0.649 nan 8.370 nan 0.000 0.506 125 A N 2.179 124.861 122.820 -0.230 0.000 2.564 125 A HA 0.482 4.802 4.320 0.001 0.000 0.291 125 A C 1.087 178.614 177.584 -0.095 0.000 1.102 125 A CA -0.067 51.862 52.037 -0.180 0.000 0.660 125 A CB 0.516 19.364 19.000 -0.252 0.000 1.283 125 A HN 0.377 nan 8.150 nan 0.000 0.430 126 T N -1.049 113.437 114.554 -0.114 0.000 2.777 126 T HA -0.106 4.245 4.350 0.001 0.000 0.266 126 T C 0.697 175.383 174.700 -0.023 0.000 1.040 126 T CA 1.566 63.562 62.100 -0.174 0.000 1.141 126 T CB -0.624 67.992 68.868 -0.420 0.000 0.868 126 T HN 1.050 nan 8.240 nan 0.000 0.444 127 N N 1.940 120.690 118.700 0.084 0.000 2.708 127 N HA -0.148 4.593 4.740 0.001 0.000 0.251 127 N C 0.684 176.297 175.510 0.170 0.000 1.017 127 N CA 1.219 54.374 53.050 0.174 0.000 0.742 127 N CB -1.743 36.886 38.487 0.236 0.000 0.943 127 N HN 0.892 nan 8.380 nan 0.000 0.539 128 T N -3.951 110.695 114.554 0.154 0.000 3.148 128 T HA 0.041 4.392 4.350 0.001 0.000 0.253 128 T C 1.025 175.906 174.700 0.303 0.000 1.134 128 T CA 0.665 62.906 62.100 0.235 0.000 1.051 128 T CB 0.014 68.951 68.868 0.115 0.000 0.959 128 T HN 0.444 nan 8.240 nan 0.000 0.525 129 T N -1.349 113.326 114.554 0.202 0.000 2.887 129 T HA 0.516 4.866 4.350 0.001 0.000 0.288 129 T C 0.854 175.599 174.700 0.075 0.000 1.021 129 T CA -1.208 60.977 62.100 0.143 0.000 1.000 129 T CB 2.283 71.231 68.868 0.134 0.000 1.034 129 T HN -0.014 nan 8.240 nan 0.000 0.467 130 R N 0.511 121.018 120.500 0.011 0.000 2.120 130 R HA -0.089 4.252 4.340 0.001 0.000 0.234 130 R C 2.268 178.531 176.300 -0.061 0.000 1.123 130 R CA 1.350 57.385 56.100 -0.110 0.000 0.975 130 R CB -0.144 30.083 30.300 -0.122 0.000 0.866 130 R HN 0.802 nan 8.270 nan 0.000 0.446 131 E N 1.171 121.408 120.200 0.063 0.000 2.072 131 E HA -0.235 4.115 4.350 0.001 0.000 0.191 131 E C 1.998 178.680 176.600 0.136 0.000 0.985 131 E CA 1.190 57.666 56.400 0.126 0.000 0.801 131 E CB 0.101 29.865 29.700 0.106 0.000 0.750 131 E HN 0.049 nan 8.360 nan 0.000 0.452 132 R N 1.038 121.614 120.500 0.128 0.000 2.075 132 R HA -0.047 4.293 4.340 0.001 0.000 0.232 132 R C 2.367 178.769 176.300 0.170 0.000 1.126 132 R CA 1.658 57.849 56.100 0.152 0.000 0.963 132 R CB -0.370 30.034 30.300 0.174 0.000 0.858 132 R HN 0.077 nan 8.270 nan 0.000 0.435 133 R N -1.063 119.530 120.500 0.156 0.000 2.081 133 R HA -0.117 4.224 4.340 0.001 0.000 0.235 133 R C 2.345 178.775 176.300 0.217 0.000 1.131 133 R CA 1.920 58.144 56.100 0.207 0.000 0.960 133 R CB -0.578 29.785 30.300 0.104 0.000 0.856 133 R HN 0.529 nan 8.270 nan 0.000 0.436 134 H N 0.120 119.276 119.070 0.144 0.000 2.387 134 H HA -0.109 4.447 4.556 0.001 0.000 0.299 134 H C 2.255 177.678 175.328 0.158 0.000 1.090 134 H CA 1.523 57.649 56.048 0.130 0.000 1.332 134 H CB 0.062 29.872 29.762 0.080 0.000 1.386 134 H HN 0.149 nan 8.280 nan 0.000 0.516 135 M N 0.460 120.221 119.600 0.268 0.000 2.086 135 M HA -0.167 4.314 4.480 0.001 0.000 0.261 135 M C 1.826 178.266 176.300 0.232 0.000 1.067 135 M CA 1.693 57.125 55.300 0.220 0.000 1.116 135 M CB -0.011 32.677 32.600 0.148 0.000 1.348 135 M HN 0.248 nan 8.290 nan 0.000 0.407 136 I N 0.383 121.057 120.570 0.174 0.000 2.226 136 I HA -0.311 3.860 4.170 0.001 0.000 0.245 136 I C 2.216 178.483 176.117 0.249 0.000 1.100 136 I CA 0.696 62.065 61.300 0.116 0.000 1.374 136 I CB -0.532 37.481 38.000 0.022 0.000 1.057 136 I HN 0.353 nan 8.210 nan 0.000 0.413 137 L N 0.333 121.737 121.223 0.303 0.000 2.012 137 L HA -0.276 4.065 4.340 0.001 0.000 0.210 137 L C 2.689 179.698 176.870 0.232 0.000 1.073 137 L CA 2.155 57.172 54.840 0.296 0.000 0.748 137 L CB -1.833 40.429 42.059 0.338 0.000 0.891 137 L HN 0.367 nan 8.230 nan 0.000 0.431 138 H N -0.374 118.791 119.070 0.158 0.000 2.289 138 H HA -0.294 4.263 4.556 0.001 0.000 0.296 138 H C 2.145 177.519 175.328 0.077 0.000 1.091 138 H CA 2.314 58.419 56.048 0.095 0.000 1.274 138 H CB -0.602 29.213 29.762 0.088 0.000 1.364 138 H HN 0.211 nan 8.280 nan 0.000 0.490 139 F N 1.018 120.865 119.950 -0.171 0.000 2.065 139 F HA -0.264 4.263 4.527 0.001 0.000 0.298 139 F C 2.577 178.240 175.800 -0.229 0.000 1.112 139 F CA 2.367 60.221 58.000 -0.243 0.000 1.212 139 F CB -1.165 37.758 39.000 -0.128 0.000 0.975 139 F HN 0.304 nan 8.300 nan 0.000 0.476 140 A N 0.167 122.934 122.820 -0.090 0.000 1.883 140 A HA -0.277 4.044 4.320 0.001 0.000 0.217 140 A C 2.168 179.587 177.584 -0.274 0.000 1.186 140 A CA 2.172 54.130 52.037 -0.131 0.000 0.624 140 A CB -0.998 18.096 19.000 0.157 0.000 0.822 140 A HN 0.446 nan 8.150 nan 0.000 0.444 141 K N 0.876 121.181 120.400 -0.158 0.000 2.074 141 K HA -0.222 4.098 4.320 0.001 0.000 0.209 141 K C 1.885 178.325 176.600 -0.267 0.000 1.048 141 K CA 2.238 58.439 56.287 -0.144 0.000 0.926 141 K CB -0.378 32.097 32.500 -0.041 0.000 0.713 141 K HN 0.774 nan 8.250 nan 0.000 0.444 142 E N -1.218 118.734 120.200 -0.414 0.000 2.358 142 E HA -0.087 4.264 4.350 0.001 0.000 0.195 142 E C 0.728 177.020 176.600 -0.514 0.000 1.010 142 E CA 0.776 56.924 56.400 -0.420 0.000 0.856 142 E CB -0.048 29.368 29.700 -0.475 0.000 0.795 142 E HN 0.268 nan 8.360 nan 0.000 0.504 143 N N 0.956 119.188 118.700 -0.779 0.000 2.205 143 N HA 0.011 4.751 4.740 0.001 0.000 0.201 143 N C -0.808 174.101 175.510 -1.002 0.000 1.128 143 N CA 0.358 52.766 53.050 -1.070 0.000 0.867 143 N CB 0.580 37.954 38.487 -1.854 0.000 0.996 143 N HN 0.101 nan 8.380 nan 0.000 0.503 144 D N 0.176 120.231 120.400 -0.575 0.000 2.718 144 D HA -0.152 4.489 4.640 0.001 0.000 0.242 144 D C -1.192 175.102 176.300 -0.009 0.000 1.123 144 D CA 0.673 54.526 54.000 -0.246 0.000 0.690 144 D CB -1.362 39.343 40.800 -0.157 0.000 1.059 144 D HN 0.298 nan 8.370 nan 0.000 0.429 145 F N 0.163 120.046 119.950 -0.112 0.000 2.508 145 F HA 0.423 4.950 4.527 0.001 0.000 0.325 145 F C 1.250 177.039 175.800 -0.018 0.000 1.090 145 F CA -1.427 56.531 58.000 -0.071 0.000 0.945 145 F CB 1.444 40.385 39.000 -0.099 0.000 1.156 145 F HN -0.376 nan 8.300 nan 0.000 0.463 146 K N 1.542 122.065 120.400 0.204 0.000 2.126 146 K HA 0.670 4.991 4.320 0.001 0.000 0.257 146 K C -0.665 176.032 176.600 0.162 0.000 1.007 146 K CA -0.570 55.810 56.287 0.155 0.000 0.928 146 K CB 1.292 33.863 32.500 0.118 0.000 1.013 146 K HN 0.658 nan 8.250 nan 0.000 0.473 147 A N 2.083 125.012 122.820 0.182 0.000 2.374 147 A HA 0.598 4.919 4.320 0.001 0.000 0.305 147 A C -1.712 176.011 177.584 0.232 0.000 1.053 147 A CA -0.553 51.563 52.037 0.132 0.000 0.726 147 A CB 0.535 19.627 19.000 0.154 0.000 1.229 147 A HN 0.574 nan 8.150 nan 0.000 0.431 148 F N 2.439 122.336 119.950 -0.088 0.000 2.547 148 F HA 0.791 5.319 4.527 0.001 0.000 0.316 148 F C -1.797 173.955 175.800 -0.081 0.000 1.121 148 F CA -1.626 56.404 58.000 0.048 0.000 0.911 148 F CB 1.324 40.368 39.000 0.075 0.000 1.179 148 F HN 0.450 nan 8.300 nan 0.000 0.443 149 F N 6.413 126.046 119.950 -0.529 0.000 2.443 149 F HA 0.622 5.149 4.527 0.001 0.000 0.335 149 F C -0.301 175.188 175.800 -0.517 0.000 1.104 149 F CA -0.943 56.842 58.000 -0.358 0.000 1.013 149 F CB 1.551 40.457 39.000 -0.156 0.000 1.136 149 F HN 0.195 nan 8.300 nan 0.000 0.470 150 I N 2.404 122.933 120.570 -0.067 0.000 2.448 150 I HA 0.260 4.430 4.170 0.001 0.000 0.281 150 I C -0.648 175.518 176.117 0.082 0.000 1.027 150 I CA -0.441 60.853 61.300 -0.010 0.000 1.111 150 I CB 1.658 39.701 38.000 0.072 0.000 1.236 150 I HN 0.610 nan 8.210 nan 0.000 0.452 151 E N 4.599 124.852 120.200 0.088 0.000 2.179 151 E HA 0.423 4.774 4.350 0.001 0.000 0.275 151 E C -1.010 175.642 176.600 0.087 0.000 0.945 151 E CA -0.421 56.039 56.400 0.100 0.000 0.792 151 E CB 1.744 31.509 29.700 0.109 0.000 1.125 151 E HN 0.466 nan 8.360 nan 0.000 0.397 152 S N 3.593 119.336 115.700 0.073 0.000 2.474 152 S HA 0.412 4.883 4.470 0.001 0.000 0.321 152 S C -1.108 173.519 174.600 0.046 0.000 1.080 152 S CA -0.634 57.597 58.200 0.052 0.000 1.106 152 S CB 0.818 64.046 63.200 0.047 0.000 0.984 152 S HN 0.332 nan 8.310 nan 0.000 0.464 153 V N 4.819 124.755 119.914 0.036 0.000 2.448 153 V HA 0.613 4.734 4.120 0.001 0.000 0.295 153 V C -0.324 175.778 176.094 0.013 0.000 1.025 153 V CA -0.715 61.614 62.300 0.050 0.000 0.859 153 V CB 1.084 32.941 31.823 0.057 0.000 0.988 153 V HN 0.970 nan 8.190 nan 0.000 0.431 154 C N 4.307 123.618 119.300 0.018 0.000 2.727 154 C HA 0.455 4.916 4.460 0.001 0.000 0.369 154 C C -0.262 174.733 174.990 0.008 0.000 1.067 154 C CA -0.566 58.451 59.018 -0.001 0.000 1.273 154 C CB 0.691 28.422 27.740 -0.016 0.000 1.778 154 C HN 0.917 nan 8.230 nan 0.000 0.467 155 D N 3.004 123.409 120.400 0.007 0.000 2.738 155 D HA 0.152 4.793 4.640 0.001 0.000 0.246 155 D C -0.231 176.068 176.300 -0.001 0.000 1.270 155 D CA 0.334 54.341 54.000 0.011 0.000 0.833 155 D CB 0.405 41.214 40.800 0.016 0.000 1.040 155 D HN 0.669 nan 8.370 nan 0.000 0.487 156 D N 1.800 122.195 120.400 -0.008 0.000 2.472 156 D HA 0.096 4.737 4.640 0.001 0.000 0.234 156 D C -1.374 174.917 176.300 -0.015 0.000 1.088 156 D CA -2.043 51.949 54.000 -0.014 0.000 0.882 156 D CB 2.279 43.066 40.800 -0.022 0.000 1.037 156 D HN -0.082 nan 8.370 nan 0.000 0.520 157 P HA -0.188 nan 4.420 nan 0.000 0.217 157 P C 1.282 178.571 177.300 -0.019 0.000 1.148 157 P CA 1.163 64.256 63.100 -0.011 0.000 0.834 157 P CB 0.288 31.982 31.700 -0.009 0.000 0.783 158 T N -0.077 114.463 114.554 -0.023 0.000 2.746 158 T HA -0.065 4.285 4.350 0.001 0.000 0.267 158 T C 2.000 176.677 174.700 -0.039 0.000 1.039 158 T CA 1.305 63.387 62.100 -0.030 0.000 1.142 158 T CB -0.789 68.062 68.868 -0.029 0.000 0.866 158 T HN -0.072 nan 8.240 nan 0.000 0.444 159 V N 1.230 121.120 119.914 -0.039 0.000 2.270 159 V HA -0.136 3.985 4.120 0.001 0.000 0.245 159 V C 2.680 178.743 176.094 -0.052 0.000 1.043 159 V CA 1.318 63.588 62.300 -0.050 0.000 1.014 159 V CB -0.779 31.015 31.823 -0.047 0.000 0.645 159 V HN 0.302 nan 8.190 nan 0.000 0.447 160 V N 0.512 120.407 119.914 -0.033 0.000 2.332 160 V HA -0.279 3.841 4.120 0.001 0.000 0.248 160 V C 2.747 178.824 176.094 -0.028 0.000 1.055 160 V CA 2.082 64.370 62.300 -0.019 0.000 1.038 160 V CB -1.306 30.519 31.823 0.004 0.000 0.651 160 V HN 0.553 nan 8.190 nan 0.000 0.450 161 A N -0.380 122.421 122.820 -0.031 0.000 1.883 161 A HA -0.274 4.047 4.320 0.001 0.000 0.217 161 A C 2.590 180.132 177.584 -0.070 0.000 1.186 161 A CA 2.483 54.495 52.037 -0.041 0.000 0.624 161 A CB -0.943 18.035 19.000 -0.036 0.000 0.822 161 A HN 0.507 nan 8.150 nan 0.000 0.444 162 S N -0.081 115.574 115.700 -0.073 0.000 2.356 162 S HA -0.220 4.250 4.470 0.001 0.000 0.223 162 S C 1.856 176.383 174.600 -0.122 0.000 1.032 162 S CA 1.739 59.884 58.200 -0.092 0.000 1.005 162 S CB -0.782 62.366 63.200 -0.086 0.000 0.867 162 S HN 0.733 nan 8.310 nan 0.000 0.449 163 N N 0.572 119.199 118.700 -0.122 0.000 2.149 163 N HA -0.067 4.674 4.740 0.001 0.000 0.188 163 N C 1.794 177.190 175.510 -0.189 0.000 1.019 163 N CA 1.646 54.605 53.050 -0.151 0.000 0.857 163 N CB -0.299 38.119 38.487 -0.114 0.000 0.997 163 N HN 0.430 nan 8.380 nan 0.000 0.426 164 I N 0.860 121.321 120.570 -0.182 0.000 2.179 164 I HA -0.247 3.924 4.170 0.001 0.000 0.242 164 I C 2.152 178.108 176.117 -0.268 0.000 1.088 164 I CA 0.923 62.053 61.300 -0.283 0.000 1.357 164 I CB -0.135 37.745 38.000 -0.200 0.000 1.051 164 I HN 0.206 nan 8.210 nan 0.000 0.409 165 M N -0.292 119.194 119.600 -0.189 0.000 2.229 165 M HA -0.171 4.310 4.480 0.001 0.000 0.264 165 M C 2.113 178.313 176.300 -0.168 0.000 1.063 165 M CA 1.505 56.706 55.300 -0.165 0.000 1.114 165 M CB -1.096 31.430 32.600 -0.123 0.000 1.387 165 M HN 0.295 nan 8.290 nan 0.000 0.420 166 E N 0.148 120.237 120.200 -0.184 0.000 2.112 166 E HA -0.081 4.270 4.350 0.001 0.000 0.190 166 E C 1.669 178.127 176.600 -0.237 0.000 0.979 166 E CA 1.333 57.616 56.400 -0.195 0.000 0.814 166 E CB 0.534 30.112 29.700 -0.204 0.000 0.762 166 E HN 0.435 nan 8.360 nan 0.000 0.460 167 V N -3.235 116.516 119.914 -0.272 0.000 3.426 167 V HA 0.211 4.332 4.120 0.001 0.000 0.271 167 V C 1.557 177.528 176.094 -0.206 0.000 1.530 167 V CA -0.330 61.798 62.300 -0.287 0.000 1.021 167 V CB 0.514 32.050 31.823 -0.478 0.000 0.824 167 V HN -0.109 nan 8.190 nan 0.000 0.432 168 K N 2.318 122.537 120.400 -0.301 0.000 1.991 168 K HA 0.264 4.584 4.320 0.001 0.000 0.208 168 K C 2.292 178.758 176.600 -0.224 0.000 1.038 168 K CA 1.958 58.002 56.287 -0.404 0.000 0.943 168 K CB -0.829 31.095 32.500 -0.960 0.000 0.736 168 K HN 0.699 nan 8.250 nan 0.000 0.440 169 I N 0.750 121.144 120.570 -0.294 0.000 2.381 169 I HA -0.231 3.939 4.170 0.001 0.000 0.255 169 I C 1.528 177.620 176.117 -0.041 0.000 1.140 169 I CA 1.951 63.109 61.300 -0.237 0.000 1.404 169 I CB -0.698 37.162 38.000 -0.234 0.000 1.075 169 I HN -0.028 nan 8.210 nan 0.000 0.433 170 S N 0.253 115.928 115.700 -0.043 0.000 2.660 170 S HA 0.168 4.639 4.470 0.001 0.000 0.227 170 S C 0.830 175.451 174.600 0.035 0.000 0.948 170 S CA -0.177 58.022 58.200 -0.002 0.000 0.948 170 S CB -0.493 62.685 63.200 -0.037 0.000 0.779 170 S HN 0.569 nan 8.310 nan 0.000 0.487 171 S N 2.718 118.466 115.700 0.082 0.000 2.603 171 S HA 0.297 4.768 4.470 0.001 0.000 0.268 171 S C -1.285 173.344 174.600 0.048 0.000 1.317 171 S CA -1.287 56.952 58.200 0.065 0.000 1.012 171 S CB 0.763 64.005 63.200 0.070 0.000 0.926 171 S HN 0.215 nan 8.310 nan 0.000 0.539 172 P HA 0.008 nan 4.420 nan 0.000 0.230 172 P C 0.308 177.575 177.300 -0.055 0.000 1.158 172 P CA 0.642 63.733 63.100 -0.015 0.000 0.769 172 P CB 0.043 31.728 31.700 -0.025 0.000 0.807 173 D N -0.677 119.618 120.400 -0.174 0.000 2.224 173 D HA -0.100 4.541 4.640 0.001 0.000 0.205 173 D C 0.747 176.857 176.300 -0.317 0.000 0.965 173 D CA 1.111 54.885 54.000 -0.376 0.000 0.852 173 D CB -0.303 39.915 40.800 -0.969 0.000 0.947 173 D HN 0.384 nan 8.370 nan 0.000 0.494 174 Y N 0.742 121.083 120.300 0.069 0.000 2.756 174 Y HA 0.130 4.681 4.550 0.001 0.000 0.300 174 Y C 1.763 177.703 175.900 0.067 0.000 1.113 174 Y CA -0.569 57.594 58.100 0.105 0.000 1.291 174 Y CB 0.208 38.713 38.460 0.075 0.000 1.175 174 Y HN -0.096 nan 8.280 nan 0.000 0.534 175 K N -0.665 119.817 120.400 0.137 0.000 2.160 175 K HA -0.155 4.166 4.320 0.001 0.000 0.206 175 K C -0.297 176.359 176.600 0.094 0.000 1.047 175 K CA 1.837 58.178 56.287 0.092 0.000 0.930 175 K CB 0.013 32.545 32.500 0.053 0.000 0.720 175 K HN 0.183 nan 8.250 nan 0.000 0.450 176 D N 0.873 121.341 120.400 0.113 0.000 3.123 176 D HA 0.211 4.852 4.640 0.001 0.000 0.305 176 D C -0.846 175.528 176.300 0.124 0.000 1.373 176 D CA -0.259 53.798 54.000 0.096 0.000 0.889 176 D CB 0.358 41.203 40.800 0.074 0.000 1.070 176 D HN 0.158 nan 8.370 nan 0.000 0.494 177 C N 0.623 120.007 119.300 0.140 0.000 3.086 177 C HA 0.393 4.854 4.460 0.001 0.000 0.311 177 C C -0.129 174.907 174.990 0.078 0.000 1.260 177 C CA -1.142 57.960 59.018 0.139 0.000 1.426 177 C CB 1.711 29.596 27.740 0.242 0.000 1.826 177 C HN 0.486 nan 8.230 nan 0.000 0.474 178 N N 0.104 118.832 118.700 0.046 0.000 2.477 178 N HA 0.402 5.142 4.740 0.001 0.000 0.284 178 N C 0.555 176.053 175.510 -0.019 0.000 1.182 178 N CA -0.494 52.564 53.050 0.013 0.000 0.949 178 N CB 0.579 39.074 38.487 0.012 0.000 1.204 178 N HN 0.485 nan 8.380 nan 0.000 0.526 179 S N 0.265 115.942 115.700 -0.039 0.000 2.380 179 S HA -0.304 4.167 4.470 0.001 0.000 0.229 179 S C 1.979 176.536 174.600 -0.071 0.000 1.050 179 S CA 1.886 60.043 58.200 -0.072 0.000 1.100 179 S CB -1.105 62.058 63.200 -0.062 0.000 0.984 179 S HN 0.779 nan 8.310 nan 0.000 0.434 180 A N 2.163 124.960 122.820 -0.039 0.000 1.915 180 A HA -0.302 4.019 4.320 0.001 0.000 0.220 180 A C 2.158 179.730 177.584 -0.020 0.000 1.198 180 A CA 2.228 54.249 52.037 -0.026 0.000 0.647 180 A CB -0.798 18.196 19.000 -0.009 0.000 0.825 180 A HN 0.828 nan 8.150 nan 0.000 0.456 181 E N -0.724 119.472 120.200 -0.007 0.000 2.086 181 E HA 0.138 4.488 4.350 0.001 0.000 0.190 181 E C 2.151 178.748 176.600 -0.006 0.000 0.975 181 E CA 0.803 57.218 56.400 0.026 0.000 0.813 181 E CB -0.533 29.208 29.700 0.069 0.000 0.768 181 E HN 0.482 nan 8.360 nan 0.000 0.457 182 A N 1.842 124.585 122.820 -0.129 0.000 1.908 182 A HA -0.191 4.130 4.320 0.001 0.000 0.218 182 A C 2.294 179.634 177.584 -0.407 0.000 1.181 182 A CA 2.121 53.839 52.037 -0.531 0.000 0.627 182 A CB -0.609 17.945 19.000 -0.744 0.000 0.818 182 A HN 0.358 nan 8.150 nan 0.000 0.445 183 M N 0.260 119.729 119.600 -0.218 0.000 2.117 183 M HA -0.143 4.338 4.480 0.001 0.000 0.262 183 M C 1.625 177.921 176.300 -0.008 0.000 1.065 183 M CA 2.466 57.701 55.300 -0.107 0.000 1.114 183 M CB -0.578 31.970 32.600 -0.087 0.000 1.361 183 M HN 0.502 nan 8.290 nan 0.000 0.408 184 D N -0.471 119.927 120.400 -0.003 0.000 2.144 184 D HA -0.216 4.425 4.640 0.001 0.000 0.200 184 D C 1.551 177.883 176.300 0.054 0.000 0.978 184 D CA 1.524 55.536 54.000 0.021 0.000 0.833 184 D CB -0.234 40.581 40.800 0.025 0.000 0.961 184 D HN 0.598 nan 8.370 nan 0.000 0.470 185 D N -0.484 120.001 120.400 0.141 0.000 2.178 185 D HA -0.168 4.473 4.640 0.001 0.000 0.202 185 D C 2.019 178.497 176.300 0.297 0.000 0.974 185 D CA 0.401 54.580 54.000 0.297 0.000 0.841 185 D CB -0.246 40.885 40.800 0.551 0.000 0.953 185 D HN 0.167 nan 8.370 nan 0.000 0.478 186 F N 0.876 120.892 119.950 0.110 0.000 2.186 186 F HA -0.102 4.425 4.527 0.001 0.000 0.299 186 F C 2.393 178.204 175.800 0.018 0.000 1.090 186 F CA 0.836 58.893 58.000 0.096 0.000 1.307 186 F CB -0.140 38.857 39.000 -0.005 0.000 1.019 186 F HN -0.109 nan 8.300 nan 0.000 0.489 187 M N 0.186 119.832 119.600 0.076 0.000 2.117 187 M HA -0.214 4.266 4.480 0.001 0.000 0.262 187 M C 2.001 178.229 176.300 -0.119 0.000 1.065 187 M CA 1.603 56.894 55.300 -0.016 0.000 1.114 187 M CB -1.191 31.405 32.600 -0.007 0.000 1.361 187 M HN 0.113 nan 8.290 nan 0.000 0.408 188 K N -0.624 119.658 120.400 -0.197 0.000 2.148 188 K HA -0.137 4.184 4.320 0.001 0.000 0.204 188 K C 2.149 178.599 176.600 -0.250 0.000 1.050 188 K CA 0.921 56.971 56.287 -0.394 0.000 0.942 188 K CB -0.217 31.674 32.500 -1.015 0.000 0.724 188 K HN 0.266 nan 8.250 nan 0.000 0.446 189 R N 1.373 121.783 120.500 -0.150 0.000 2.081 189 R HA -0.058 4.282 4.340 0.001 0.000 0.235 189 R C 2.218 178.439 176.300 -0.133 0.000 1.131 189 R CA 1.111 57.141 56.100 -0.117 0.000 0.960 189 R CB -0.179 29.909 30.300 -0.354 0.000 0.856 189 R HN 0.104 nan 8.270 nan 0.000 0.436 190 I N 0.756 121.192 120.570 -0.223 0.000 2.286 190 I HA -0.275 3.896 4.170 0.001 0.000 0.248 190 I C 2.372 178.494 176.117 0.009 0.000 1.115 190 I CA 1.482 62.719 61.300 -0.106 0.000 1.392 190 I CB -0.288 37.636 38.000 -0.127 0.000 1.065 190 I HN 0.342 nan 8.210 nan 0.000 0.418 191 S N -0.015 115.666 115.700 -0.031 0.000 2.382 191 S HA -0.206 4.265 4.470 0.001 0.000 0.228 191 S C 2.155 176.769 174.600 0.024 0.000 1.027 191 S CA 1.176 59.373 58.200 -0.006 0.000 0.991 191 S CB -1.095 62.077 63.200 -0.047 0.000 0.823 191 S HN 0.478 nan 8.310 nan 0.000 0.469 192 C N 0.607 119.916 119.300 0.014 0.000 2.413 192 C HA -0.031 4.429 4.460 0.001 0.000 0.277 192 C C 2.354 177.301 174.990 -0.072 0.000 1.265 192 C CA 0.707 59.712 59.018 -0.023 0.000 1.752 192 C CB -1.711 26.006 27.740 -0.038 0.000 1.998 192 C HN 0.692 nan 8.230 nan 0.000 0.489 193 Y N 0.560 120.860 120.300 -0.000 0.000 2.519 193 Y HA -0.026 4.525 4.550 0.001 0.000 0.287 193 Y C 2.356 178.282 175.900 0.043 0.000 1.128 193 Y CA 0.820 58.922 58.100 0.003 0.000 1.282 193 Y CB -0.447 37.965 38.460 -0.081 0.000 1.027 193 Y HN 0.425 nan 8.280 nan 0.000 0.551 194 E N 0.215 120.525 120.200 0.183 0.000 2.110 194 E HA -0.220 4.130 4.350 0.001 0.000 0.193 194 E C 2.390 179.092 176.600 0.169 0.000 0.988 194 E CA 0.960 57.470 56.400 0.183 0.000 0.804 194 E CB -0.180 29.591 29.700 0.118 0.000 0.745 194 E HN 0.474 nan 8.360 nan 0.000 0.458 195 A N 1.235 124.122 122.820 0.111 0.000 1.908 195 A HA -0.172 4.148 4.320 0.001 0.000 0.218 195 A C 2.191 179.830 177.584 0.092 0.000 1.181 195 A CA 1.933 54.019 52.037 0.082 0.000 0.627 195 A CB -0.334 18.697 19.000 0.052 0.000 0.818 195 A HN 0.305 nan 8.150 nan 0.000 0.445 196 S N -2.336 113.436 115.700 0.119 0.000 2.582 196 S HA 0.214 4.684 4.470 0.001 0.000 0.234 196 S C 0.124 174.839 174.600 0.192 0.000 0.961 196 S CA -0.495 57.777 58.200 0.119 0.000 0.953 196 S CB -0.397 62.861 63.200 0.097 0.000 0.800 196 S HN 0.414 nan 8.310 nan 0.000 0.471 197 Y N 3.743 124.084 120.300 0.069 0.000 2.531 197 Y HA 0.364 4.914 4.550 0.001 0.000 0.347 197 Y C -0.183 175.740 175.900 0.039 0.000 1.024 197 Y CA -1.125 57.016 58.100 0.069 0.000 1.306 197 Y CB -0.051 38.453 38.460 0.074 0.000 1.149 197 Y HN 0.316 nan 8.280 nan 0.000 0.527 198 Q N 9.539 129.339 119.800 0.001 0.000 2.462 198 Q HA 0.308 4.649 4.340 0.001 0.000 0.247 198 Q C -2.355 173.487 176.000 -0.263 0.000 1.044 198 Q CA -2.256 53.427 55.803 -0.200 0.000 0.803 198 Q CB 1.146 29.850 28.738 -0.055 0.000 1.190 198 Q HN 0.535 nan 8.270 nan 0.000 0.507 199 P HA -0.075 nan 4.420 nan 0.000 0.270 199 P C -0.243 176.987 177.300 -0.117 0.000 1.227 199 P CA -0.032 62.895 63.100 -0.288 0.000 0.788 199 P CB 1.042 32.525 31.700 -0.361 0.000 0.926 200 L N 1.296 122.493 121.223 -0.044 0.000 2.485 200 L HA 0.089 4.429 4.340 0.001 0.000 0.275 200 L C 1.009 177.833 176.870 -0.076 0.000 1.207 200 L CA 0.698 55.491 54.840 -0.079 0.000 0.855 200 L CB -0.227 41.788 42.059 -0.074 0.000 1.114 200 L HN 0.383 nan 8.230 nan 0.000 0.485 201 D N 3.995 124.344 120.400 -0.085 0.000 2.404 201 D HA 0.218 4.858 4.640 0.001 0.000 0.267 201 D C -1.716 174.555 176.300 -0.049 0.000 1.194 201 D CA -1.881 52.083 54.000 -0.060 0.000 0.910 201 D CB 1.383 42.147 40.800 -0.060 0.000 1.090 201 D HN 0.143 nan 8.370 nan 0.000 0.511 202 P HA -0.047 nan 4.420 nan 0.000 0.217 202 P C 0.337 177.636 177.300 -0.002 0.000 1.151 202 P CA 0.660 63.751 63.100 -0.015 0.000 0.828 202 P CB 0.569 32.272 31.700 0.004 0.000 0.788 203 D N -0.587 119.813 120.400 -0.001 0.000 2.332 203 D HA 0.066 4.707 4.640 0.001 0.000 0.244 203 D C 1.238 177.538 176.300 -0.000 0.000 1.136 203 D CA 0.572 54.575 54.000 0.004 0.000 0.884 203 D CB 0.468 41.271 40.800 0.006 0.000 0.906 203 D HN 0.339 nan 8.370 nan 0.000 0.520 204 K N -1.227 119.169 120.400 -0.006 0.000 2.548 204 K HA 0.038 4.359 4.320 0.001 0.000 0.301 204 K C 1.281 177.877 176.600 -0.007 0.000 1.874 204 K CA -0.354 55.929 56.287 -0.006 0.000 1.033 204 K CB -0.441 32.052 32.500 -0.011 0.000 3.154 204 K HN 0.015 nan 8.250 nan 0.000 0.919 205 C N 2.619 121.909 119.300 -0.016 0.000 2.411 205 C HA -0.047 4.414 4.460 0.001 0.000 0.279 205 C C 0.966 175.939 174.990 -0.027 0.000 1.288 205 C CA 1.388 60.397 59.018 -0.014 0.000 1.764 205 C CB -0.739 26.985 27.740 -0.027 0.000 1.974 205 C HN 0.410 nan 8.230 nan 0.000 0.498 206 D N -0.394 119.974 120.400 -0.055 0.000 2.427 206 D HA 0.101 4.742 4.640 0.001 0.000 0.224 206 D C 1.866 178.141 176.300 -0.042 0.000 1.157 206 D CA -0.076 53.874 54.000 -0.084 0.000 0.828 206 D CB -0.245 40.463 40.800 -0.155 0.000 0.974 206 D HN 0.600 nan 8.370 nan 0.000 0.498 207 R N 0.634 121.128 120.500 -0.009 0.000 2.119 207 R HA -0.144 4.197 4.340 0.001 0.000 0.246 207 R C 0.713 177.030 176.300 0.029 0.000 1.146 207 R CA 1.131 57.239 56.100 0.013 0.000 0.962 207 R CB -0.067 30.244 30.300 0.019 0.000 0.863 207 R HN 0.083 nan 8.270 nan 0.000 0.442 208 D N 0.183 120.603 120.400 0.033 0.000 2.349 208 D HA 0.074 4.714 4.640 0.001 0.000 0.224 208 D C 0.366 176.711 176.300 0.075 0.000 1.029 208 D CA 0.476 54.510 54.000 0.057 0.000 0.879 208 D CB 0.110 40.947 40.800 0.062 0.000 0.906 208 D HN 0.135 nan 8.370 nan 0.000 0.528 209 L N 0.624 121.870 121.223 0.039 0.000 2.350 209 L HA 0.233 4.573 4.340 0.001 0.000 0.275 209 L C 0.458 177.408 176.870 0.133 0.000 1.099 209 L CA -0.332 54.542 54.840 0.056 0.000 0.808 209 L CB 1.297 43.253 42.059 -0.172 0.000 1.149 209 L HN -0.282 nan 8.230 nan 0.000 0.442 210 S N 4.354 120.217 115.700 0.271 0.000 2.430 210 S HA 0.624 5.094 4.470 0.001 0.000 0.289 210 S C -0.395 174.372 174.600 0.279 0.000 1.143 210 S CA -0.563 57.855 58.200 0.362 0.000 1.067 210 S CB 0.407 63.912 63.200 0.508 0.000 0.964 210 S HN 0.396 nan 8.310 nan 0.000 0.485 211 L N 1.411 122.716 121.223 0.136 0.000 2.720 211 L HA 0.784 5.125 4.340 0.001 0.000 0.261 211 L C -1.115 175.743 176.870 -0.020 0.000 1.046 211 L CA -1.001 53.745 54.840 -0.157 0.000 0.886 211 L CB 1.579 43.610 42.059 -0.046 0.000 1.493 211 L HN 0.533 nan 8.230 nan 0.000 0.407 212 I N 0.849 121.369 120.570 -0.083 0.000 2.569 212 I HA 0.509 4.679 4.170 0.001 0.000 0.290 212 I C -1.330 174.857 176.117 0.117 0.000 1.088 212 I CA -0.564 60.812 61.300 0.128 0.000 1.047 212 I CB 1.691 39.852 38.000 0.268 0.000 1.237 212 I HN 0.846 nan 8.210 nan 0.000 0.421 213 K N 7.701 128.188 120.400 0.146 0.000 2.334 213 K HA 0.452 4.772 4.320 0.001 0.000 0.265 213 K C -1.524 175.135 176.600 0.099 0.000 1.039 213 K CA -0.557 55.792 56.287 0.103 0.000 0.920 213 K CB 1.308 33.847 32.500 0.065 0.000 1.160 213 K HN 0.522 nan 8.250 nan 0.000 0.451 214 V N 6.772 126.734 119.914 0.081 0.000 2.427 214 V HA 0.240 4.361 4.120 0.001 0.000 0.268 214 V C 0.246 176.258 176.094 -0.137 0.000 1.046 214 V CA -0.268 61.992 62.300 -0.067 0.000 0.970 214 V CB 0.426 32.281 31.823 0.054 0.000 1.001 214 V HN 0.648 nan 8.190 nan 0.000 0.476 215 I N 3.877 124.285 120.570 -0.270 0.000 2.474 215 I HA 0.438 4.609 4.170 0.001 0.000 0.294 215 I C -0.074 175.932 176.117 -0.185 0.000 1.005 215 I CA -0.720 60.478 61.300 -0.170 0.000 1.113 215 I CB 1.666 39.590 38.000 -0.126 0.000 1.289 215 I HN 0.536 nan 8.210 nan 0.000 0.436 216 D N 5.286 125.622 120.400 -0.107 0.000 2.803 216 D HA -0.139 4.501 4.640 0.001 0.000 0.233 216 D C 0.388 176.626 176.300 -0.103 0.000 1.182 216 D CA 0.589 54.536 54.000 -0.088 0.000 0.726 216 D CB -0.714 40.041 40.800 -0.076 0.000 0.987 216 D HN 0.495 nan 8.370 nan 0.000 0.412 217 V N -1.480 118.378 119.914 -0.092 0.000 5.479 217 V HA -0.241 3.880 4.120 0.001 0.000 0.289 217 V C 1.842 177.884 176.094 -0.087 0.000 0.595 217 V CA 2.136 64.393 62.300 -0.072 0.000 0.649 217 V CB -1.984 29.808 31.823 -0.051 0.000 0.390 217 V HN 1.216 nan 8.190 nan 0.000 0.974 218 G N -0.303 108.363 108.800 -0.224 0.000 2.176 218 G HA2 -0.395 3.566 3.960 0.001 0.000 0.253 218 G HA3 -0.395 3.566 3.960 0.001 0.000 0.253 218 G C 0.648 175.336 174.900 -0.354 0.000 0.979 218 G CA 0.964 45.848 45.100 -0.361 0.000 0.641 218 G HN 0.842 nan 8.290 nan 0.000 0.530 219 R N 0.507 120.868 120.500 -0.231 0.000 2.105 219 R HA 0.056 4.396 4.340 0.001 0.000 0.239 219 R C 1.335 177.547 176.300 -0.146 0.000 1.135 219 R CA 2.138 58.163 56.100 -0.124 0.000 0.967 219 R CB -0.053 30.193 30.300 -0.090 0.000 0.861 219 R HN 0.601 nan 8.270 nan 0.000 0.442 220 R N -1.228 119.078 120.500 -0.325 0.000 2.668 220 R HA 0.322 4.662 4.340 0.001 0.000 0.272 220 R C -1.629 174.400 176.300 -0.453 0.000 1.019 220 R CA -0.631 55.339 56.100 -0.217 0.000 0.894 220 R CB 0.899 31.147 30.300 -0.087 0.000 1.228 220 R HN -0.007 nan 8.270 nan 0.000 0.460 221 F N 2.809 122.790 119.950 0.051 0.000 2.563 221 F HA 0.534 5.062 4.527 0.001 0.000 0.316 221 F C -0.599 175.237 175.800 0.060 0.000 1.076 221 F CA -0.864 57.173 58.000 0.062 0.000 0.921 221 F CB 2.165 41.212 39.000 0.078 0.000 1.209 221 F HN 0.230 nan 8.300 nan 0.000 0.462 222 L N 3.701 125.074 121.223 0.251 0.000 2.415 222 L HA 0.708 5.048 4.340 0.001 0.000 0.268 222 L C -1.718 175.258 176.870 0.176 0.000 0.984 222 L CA -0.589 54.350 54.840 0.164 0.000 0.853 222 L CB 1.096 43.214 42.059 0.098 0.000 1.215 222 L HN 0.425 nan 8.230 nan 0.000 0.419 223 V N 4.431 124.447 119.914 0.170 0.000 2.435 223 V HA 0.472 4.592 4.120 0.001 0.000 0.290 223 V C -0.210 175.970 176.094 0.144 0.000 1.030 223 V CA -0.652 61.753 62.300 0.175 0.000 0.881 223 V CB 1.662 33.588 31.823 0.172 0.000 0.983 223 V HN 0.727 nan 8.190 nan 0.000 0.445 224 N N 4.802 123.596 118.700 0.156 0.000 2.399 224 N HA 0.286 5.026 4.740 0.001 0.000 0.284 224 N C -0.010 175.599 175.510 0.165 0.000 1.025 224 N CA -0.742 52.386 53.050 0.130 0.000 0.885 224 N CB 1.611 40.153 38.487 0.092 0.000 1.339 224 N HN 0.824 nan 8.380 nan 0.000 0.487 225 R N 1.070 121.650 120.500 0.134 0.000 2.788 225 R HA -0.127 4.214 4.340 0.001 0.000 0.258 225 R C -1.048 175.353 176.300 0.167 0.000 0.895 225 R CA 0.139 56.318 56.100 0.132 0.000 0.702 225 R CB -2.450 27.919 30.300 0.114 0.000 1.661 225 R HN 0.108 nan 8.270 nan 0.000 0.520 226 V N 2.909 122.910 119.914 0.146 0.000 2.673 226 V HA -0.085 4.036 4.120 0.001 0.000 0.303 226 V C 1.769 177.909 176.094 0.076 0.000 1.046 226 V CA 0.480 62.848 62.300 0.114 0.000 1.126 226 V CB 1.344 33.198 31.823 0.053 0.000 0.934 226 V HN 0.706 nan 8.190 nan 0.000 0.487 227 Q N 2.068 121.902 119.800 0.057 0.000 2.304 227 Q HA 0.122 4.462 4.340 0.001 0.000 0.204 227 Q C -0.071 175.948 176.000 0.030 0.000 0.936 227 Q CA 0.722 56.558 55.803 0.056 0.000 0.878 227 Q CB 0.383 29.168 28.738 0.079 0.000 0.983 227 Q HN 1.018 nan 8.270 nan 0.000 0.516 228 D N -2.324 118.076 120.400 0.001 0.000 2.781 228 D HA 0.038 4.679 4.640 0.001 0.000 0.295 228 D C 0.427 176.742 176.300 0.025 0.000 1.143 228 D CA -0.696 53.319 54.000 0.024 0.000 1.076 228 D CB 0.080 40.902 40.800 0.036 0.000 1.444 228 D HN -0.007 nan 8.370 nan 0.000 0.567 229 H N -0.769 118.287 119.070 -0.025 0.000 2.321 229 H HA -0.066 4.490 4.556 0.001 0.000 0.300 229 H C 1.752 177.066 175.328 -0.023 0.000 1.087 229 H CA 1.813 57.851 56.048 -0.017 0.000 1.319 229 H CB -0.086 29.671 29.762 -0.008 0.000 1.379 229 H HN 0.292 nan 8.280 nan 0.000 0.501 230 I N 1.014 121.666 120.570 0.136 0.000 2.208 230 I HA -0.270 3.900 4.170 0.001 0.000 0.245 230 I C 2.104 178.158 176.117 -0.106 0.000 1.097 230 I CA 1.626 62.959 61.300 0.055 0.000 1.363 230 I CB -0.447 37.583 38.000 0.050 0.000 1.051 230 I HN 0.464 nan 8.210 nan 0.000 0.413 231 Q N -1.448 118.226 119.800 -0.210 0.000 2.378 231 Q HA -0.101 4.240 4.340 0.001 0.000 0.205 231 Q C 2.303 178.130 176.000 -0.289 0.000 0.954 231 Q CA 1.064 56.588 55.803 -0.465 0.000 0.901 231 Q CB 0.011 28.381 28.738 -0.614 0.000 0.981 231 Q HN 0.452 nan 8.270 nan 0.000 0.483 232 S N 0.088 115.681 115.700 -0.179 0.000 2.362 232 S HA -0.074 4.396 4.470 0.001 0.000 0.221 232 S C 1.825 176.384 174.600 -0.067 0.000 1.032 232 S CA 0.547 58.670 58.200 -0.127 0.000 0.973 232 S CB 0.163 63.259 63.200 -0.173 0.000 0.849 232 S HN 0.243 nan 8.310 nan 0.000 0.465 233 R N 1.140 121.581 120.500 -0.098 0.000 2.082 233 R HA -0.018 4.323 4.340 0.001 0.000 0.234 233 R C 2.289 178.693 176.300 0.175 0.000 1.136 233 R CA 1.615 57.761 56.100 0.078 0.000 0.935 233 R CB -1.509 28.840 30.300 0.082 0.000 0.842 233 R HN 0.498 nan 8.270 nan 0.000 0.430 234 I N 0.730 121.373 120.570 0.120 0.000 2.113 234 I HA -0.331 3.839 4.170 0.001 0.000 0.242 234 I C 2.516 178.748 176.117 0.192 0.000 1.064 234 I CA 1.567 62.969 61.300 0.169 0.000 1.320 234 I CB -0.553 37.522 38.000 0.126 0.000 1.028 234 I HN -0.081 nan 8.210 nan 0.000 0.406 235 V N 0.142 120.139 119.914 0.139 0.000 2.255 235 V HA -0.344 3.776 4.120 0.001 0.000 0.247 235 V C 2.291 178.432 176.094 0.078 0.000 1.051 235 V CA 2.263 64.641 62.300 0.130 0.000 1.018 235 V CB -0.906 30.985 31.823 0.113 0.000 0.641 235 V HN 0.413 nan 8.190 nan 0.000 0.445 236 Y N 0.068 120.351 120.300 -0.029 0.000 2.114 236 Y HA -0.331 4.220 4.550 0.001 0.000 0.282 236 Y C 2.467 178.343 175.900 -0.040 0.000 1.165 236 Y CA 1.832 59.905 58.100 -0.046 0.000 1.148 236 Y CB -0.949 37.504 38.460 -0.013 0.000 0.972 236 Y HN 0.371 nan 8.280 nan 0.000 0.504 237 Y N 0.309 120.473 120.300 -0.226 0.000 2.097 237 Y HA -0.278 4.273 4.550 0.001 0.000 0.282 237 Y C 2.314 178.073 175.900 -0.236 0.000 1.152 237 Y CA 2.252 60.117 58.100 -0.391 0.000 1.136 237 Y CB -0.742 37.444 38.460 -0.456 0.000 0.975 237 Y HN 0.158 nan 8.280 nan 0.000 0.498 238 L N -0.447 120.732 121.223 -0.073 0.000 2.187 238 L HA -0.260 4.080 4.340 0.001 0.000 0.213 238 L C 2.194 178.999 176.870 -0.108 0.000 1.100 238 L CA 1.407 56.220 54.840 -0.045 0.000 0.765 238 L CB -0.512 41.641 42.059 0.156 0.000 0.904 238 L HN 0.350 nan 8.230 nan 0.000 0.437 239 M N -1.001 118.406 119.600 -0.322 0.000 2.618 239 M HA -0.015 4.465 4.480 0.001 0.000 0.240 239 M C 1.048 177.249 176.300 -0.165 0.000 1.123 239 M CA 0.628 55.658 55.300 -0.450 0.000 1.060 239 M CB -0.005 32.205 32.600 -0.651 0.000 1.535 239 M HN 0.233 nan 8.290 nan 0.000 0.507 240 N N 0.662 119.221 118.700 -0.236 0.000 2.227 240 N HA 0.231 4.971 4.740 0.001 0.000 0.196 240 N C 0.384 175.809 175.510 -0.140 0.000 1.142 240 N CA 0.157 53.089 53.050 -0.197 0.000 0.887 240 N CB 1.138 39.412 38.487 -0.356 0.000 1.022 240 N HN 0.378 nan 8.380 nan 0.000 0.500 241 I N -0.053 120.381 120.570 -0.227 0.000 2.532 241 I HA 0.336 4.507 4.170 0.001 0.000 0.292 241 I C 0.283 176.413 176.117 0.022 0.000 1.014 241 I CA -0.509 60.677 61.300 -0.189 0.000 1.340 241 I CB 1.239 39.041 38.000 -0.330 0.000 1.422 241 I HN -0.048 nan 8.210 nan 0.000 0.528 242 H N 3.600 122.681 119.070 0.018 0.000 2.960 242 H HA 0.545 5.102 4.556 0.001 0.000 0.303 242 H C -0.465 174.892 175.328 0.047 0.000 1.412 242 H CA -0.649 55.422 56.048 0.038 0.000 1.227 242 H CB 1.907 31.685 29.762 0.028 0.000 1.912 242 H HN 0.510 nan 8.280 nan 0.000 0.583 243 V N -2.148 117.856 119.914 0.150 0.000 3.252 243 V HA 0.206 4.327 4.120 0.001 0.000 0.320 243 V C 0.041 176.208 176.094 0.121 0.000 1.459 243 V CA -0.561 61.756 62.300 0.028 0.000 1.095 243 V CB 0.366 32.126 31.823 -0.106 0.000 0.997 243 V HN 0.418 nan 8.190 nan 0.000 0.469 244 Q N 3.208 123.239 119.800 0.385 0.000 2.395 244 Q HA 0.330 4.671 4.340 0.001 0.000 0.271 244 Q C -2.303 173.795 176.000 0.164 0.000 1.026 244 Q CA -1.197 54.731 55.803 0.208 0.000 0.900 244 Q CB 0.597 29.392 28.738 0.095 0.000 1.266 244 Q HN 0.393 nan 8.270 nan 0.000 0.430 245 P HA 0.292 nan 4.420 nan 0.000 0.279 245 P C -0.727 176.600 177.300 0.045 0.000 1.239 245 P CA -0.273 62.847 63.100 0.033 0.000 0.789 245 P CB 1.016 32.716 31.700 -0.001 0.000 0.933 246 R N -0.055 120.459 120.500 0.023 0.000 2.780 246 R HA 0.689 5.030 4.340 0.001 0.000 0.280 246 R C -1.472 174.793 176.300 -0.059 0.000 1.016 246 R CA -0.702 55.403 56.100 0.010 0.000 0.854 246 R CB -0.726 29.613 30.300 0.064 0.000 1.293 246 R HN 0.280 nan 8.270 nan 0.000 0.483 247 T N 0.708 115.205 114.554 -0.095 0.000 2.876 247 T HA 0.675 5.025 4.350 0.001 0.000 0.289 247 T C -0.458 174.044 174.700 -0.329 0.000 1.014 247 T CA -0.657 61.287 62.100 -0.260 0.000 0.986 247 T CB 1.068 69.730 68.868 -0.342 0.000 1.021 247 T HN 0.423 nan 8.240 nan 0.000 0.458 248 I N 2.936 123.224 120.570 -0.471 0.000 2.389 248 I HA 0.409 4.580 4.170 0.001 0.000 0.288 248 I C -1.190 174.627 176.117 -0.502 0.000 0.999 248 I CA -0.921 60.128 61.300 -0.419 0.000 1.129 248 I CB 1.225 38.930 38.000 -0.493 0.000 1.288 248 I HN 0.593 nan 8.210 nan 0.000 0.444 249 Y N 6.420 126.639 120.300 -0.134 0.000 2.341 249 Y HA 0.663 5.214 4.550 0.001 0.000 0.337 249 Y C -0.254 175.598 175.900 -0.080 0.000 1.014 249 Y CA -0.744 57.316 58.100 -0.067 0.000 1.111 249 Y CB 1.473 39.948 38.460 0.025 0.000 1.194 249 Y HN 0.285 nan 8.280 nan 0.000 0.462 250 L N 4.427 125.692 121.223 0.070 0.000 2.386 250 L HA 0.832 5.172 4.340 0.001 0.000 0.271 250 L C -0.703 176.203 176.870 0.061 0.000 0.993 250 L CA -0.751 54.118 54.840 0.047 0.000 0.819 250 L CB 1.807 43.877 42.059 0.017 0.000 1.294 250 L HN 0.893 nan 8.230 nan 0.000 0.414 251 C N 0.545 119.881 119.300 0.060 0.000 3.306 251 C HA 0.673 5.133 4.460 0.001 0.000 0.335 251 C C -0.606 174.377 174.990 -0.011 0.000 1.382 251 C CA -1.173 57.871 59.018 0.043 0.000 1.254 251 C CB 2.112 29.935 27.740 0.138 0.000 1.555 251 C HN 0.931 nan 8.230 nan 0.000 0.463 252 R N 0.231 120.653 120.500 -0.129 0.000 2.607 252 R HA 0.602 4.942 4.340 0.001 0.000 0.261 252 R C -0.139 175.973 176.300 -0.313 0.000 1.051 252 R CA -0.390 55.533 56.100 -0.294 0.000 1.110 252 R CB 0.555 30.566 30.300 -0.481 0.000 1.158 252 R HN 0.959 nan 8.270 nan 0.000 0.543 253 H N -1.104 117.903 119.070 -0.105 0.000 2.836 253 H HA 0.223 4.780 4.556 0.001 0.000 0.368 253 H C 0.632 175.977 175.328 0.028 0.000 1.164 253 H CA -0.232 55.812 56.048 -0.006 0.000 1.425 253 H CB 0.028 29.750 29.762 -0.066 0.000 1.414 253 H HN 0.710 nan 8.280 nan 0.000 0.614 254 G N 0.627 109.606 108.800 0.297 0.000 2.630 254 G HA2 -0.017 3.943 3.960 0.001 0.000 0.236 254 G HA3 -0.017 3.943 3.960 0.001 0.000 0.236 254 G C -0.281 174.822 174.900 0.339 0.000 1.248 254 G CA -0.424 44.884 45.100 0.347 0.000 0.844 254 G HN 0.944 nan 8.290 nan 0.000 0.588 255 E N 0.226 120.636 120.200 0.351 0.000 2.604 255 E HA -0.070 4.280 4.350 0.001 0.000 0.267 255 E C 0.396 177.143 176.600 0.246 0.000 0.970 255 E CA 0.225 56.739 56.400 0.189 0.000 0.956 255 E CB 0.213 29.983 29.700 0.118 0.000 0.939 255 E HN 0.613 nan 8.360 nan 0.000 0.465 256 N N 2.319 121.148 118.700 0.217 0.000 2.531 256 N HA 0.088 4.829 4.740 0.001 0.000 0.290 256 N C 0.310 175.896 175.510 0.127 0.000 1.257 256 N CA -0.579 52.550 53.050 0.132 0.000 0.863 256 N CB 0.702 39.200 38.487 0.019 0.000 1.320 256 N HN 0.422 nan 8.380 nan 0.000 0.538 257 E N -0.502 119.769 120.200 0.118 0.000 2.085 257 E HA -0.242 4.109 4.350 0.001 0.000 0.194 257 E C 0.804 177.524 176.600 0.201 0.000 0.994 257 E CA 1.597 58.085 56.400 0.147 0.000 0.801 257 E CB -0.460 29.330 29.700 0.150 0.000 0.743 257 E HN 0.593 nan 8.360 nan 0.000 0.453 258 H N 0.959 120.042 119.070 0.022 0.000 2.421 258 H HA -0.017 4.539 4.556 0.001 0.000 0.298 258 H C 1.911 177.263 175.328 0.039 0.000 1.087 258 H CA 0.927 56.985 56.048 0.017 0.000 1.330 258 H CB -0.192 29.567 29.762 -0.005 0.000 1.388 258 H HN 0.126 nan 8.280 nan 0.000 0.526 259 N N 0.376 119.186 118.700 0.183 0.000 2.069 259 N HA -0.131 4.610 4.740 0.001 0.000 0.191 259 N C 2.033 177.603 175.510 0.100 0.000 1.031 259 N CA 0.894 54.028 53.050 0.139 0.000 0.852 259 N CB -0.419 38.148 38.487 0.134 0.000 1.018 259 N HN 0.329 nan 8.380 nan 0.000 0.423 260 L N 1.007 122.285 121.223 0.091 0.000 2.083 260 L HA -0.159 4.182 4.340 0.001 0.000 0.209 260 L C 1.772 178.671 176.870 0.049 0.000 1.083 260 L CA 1.197 56.077 54.840 0.067 0.000 0.752 260 L CB -0.301 41.798 42.059 0.067 0.000 0.899 260 L HN 0.184 nan 8.230 nan 0.000 0.433 261 Q N -0.332 119.487 119.800 0.032 0.000 2.365 261 Q HA 0.119 4.460 4.340 0.001 0.000 0.203 261 Q C 1.128 177.134 176.000 0.009 0.000 0.929 261 Q CA 0.440 56.242 55.803 -0.003 0.000 0.948 261 Q CB 0.497 29.195 28.738 -0.067 0.000 1.043 261 Q HN 0.560 nan 8.270 nan 0.000 0.505 262 G N 1.956 110.786 108.800 0.050 0.000 2.221 262 G HA2 -0.316 3.644 3.960 0.001 0.000 0.265 262 G HA3 -0.316 3.644 3.960 0.001 0.000 0.265 262 G C -0.249 174.681 174.900 0.050 0.000 1.041 262 G CA 0.007 45.162 45.100 0.093 0.000 0.807 262 G HN 0.219 nan 8.290 nan 0.000 0.502 263 R N -0.091 120.407 120.500 -0.003 0.000 2.312 263 R HA 0.579 4.919 4.340 0.001 0.000 0.311 263 R C 1.249 177.561 176.300 0.020 0.000 1.004 263 R CA -0.528 55.530 56.100 -0.070 0.000 0.902 263 R CB 1.117 31.229 30.300 -0.314 0.000 1.073 263 R HN 0.589 nan 8.270 nan 0.000 0.457 264 I N -0.655 119.865 120.570 -0.082 0.000 2.713 264 I HA 0.554 4.724 4.170 0.001 0.000 0.300 264 I C 0.881 176.981 176.117 -0.028 0.000 1.009 264 I CA 0.015 61.263 61.300 -0.085 0.000 1.305 264 I CB 0.859 38.700 38.000 -0.265 0.000 1.430 264 I HN 0.773 nan 8.210 nan 0.000 0.546 265 G N 2.931 111.691 108.800 -0.066 0.000 2.574 265 G HA2 0.160 4.121 3.960 0.001 0.000 0.282 265 G HA3 0.160 4.121 3.960 0.001 0.000 0.282 265 G C 0.534 175.376 174.900 -0.098 0.000 1.257 265 G CA 0.218 45.252 45.100 -0.109 0.000 0.956 265 G HN 2.599 nan 8.290 nan 0.000 0.560 266 G N -1.350 107.376 108.800 -0.124 0.000 2.693 266 G HA2 0.294 4.255 3.960 0.001 0.000 0.226 266 G HA3 0.294 4.255 3.960 0.001 0.000 0.226 266 G C -0.138 174.609 174.900 -0.256 0.000 1.354 266 G CA 1.065 46.050 45.100 -0.192 0.000 0.873 266 G HN 2.187 nan 8.290 nan 0.000 0.562 267 D N -0.429 119.792 120.400 -0.297 0.000 3.100 267 D HA 0.456 5.097 4.640 0.001 0.000 0.350 267 D C 0.832 176.997 176.300 -0.225 0.000 1.310 267 D CA 0.708 54.582 54.000 -0.210 0.000 0.741 267 D CB -0.237 40.492 40.800 -0.117 0.000 1.248 267 D HN 0.856 nan 8.370 nan 0.000 0.527 268 S N -1.285 114.197 115.700 -0.363 0.000 2.603 268 S HA 0.747 5.218 4.470 0.001 0.000 0.268 268 S C 1.010 175.539 174.600 -0.119 0.000 1.317 268 S CA -0.378 57.678 58.200 -0.240 0.000 1.012 268 S CB 1.709 64.740 63.200 -0.281 0.000 0.926 268 S HN 0.188 nan 8.310 nan 0.000 0.539 269 G N 0.153 108.928 108.800 -0.041 0.000 2.543 269 G HA2 0.512 4.472 3.960 0.001 0.000 0.290 269 G HA3 0.512 4.472 3.960 0.001 0.000 0.290 269 G C -0.341 174.576 174.900 0.028 0.000 1.310 269 G CA -1.277 43.819 45.100 -0.005 0.000 1.025 269 G HN 0.767 nan 8.290 nan 0.000 0.502 270 L N 0.747 122.004 121.223 0.056 0.000 2.426 270 L HA 0.238 4.579 4.340 0.001 0.000 0.271 270 L C 1.357 178.282 176.870 0.093 0.000 1.169 270 L CA -0.460 54.439 54.840 0.098 0.000 0.836 270 L CB 1.027 43.152 42.059 0.111 0.000 1.112 270 L HN 0.680 nan 8.230 nan 0.000 0.465 271 S N 0.393 116.162 115.700 0.116 0.000 2.652 271 S HA 0.147 4.618 4.470 0.001 0.000 0.267 271 S C 1.203 175.861 174.600 0.097 0.000 1.201 271 S CA -0.166 58.096 58.200 0.102 0.000 0.996 271 S CB 1.309 64.579 63.200 0.115 0.000 1.054 271 S HN 0.704 nan 8.310 nan 0.000 0.561 272 S N 0.824 116.573 115.700 0.082 0.000 2.383 272 S HA -0.133 4.338 4.470 0.001 0.000 0.227 272 S C 1.804 176.450 174.600 0.077 0.000 1.026 272 S CA 0.768 59.009 58.200 0.068 0.000 0.981 272 S CB -0.602 62.631 63.200 0.054 0.000 0.818 272 S HN 0.736 nan 8.310 nan 0.000 0.472 273 R N 1.417 121.981 120.500 0.107 0.000 2.075 273 R HA 0.120 4.460 4.340 0.001 0.000 0.232 273 R C 2.801 179.185 176.300 0.140 0.000 1.126 273 R CA 1.145 57.323 56.100 0.130 0.000 0.963 273 R CB -1.143 29.277 30.300 0.201 0.000 0.858 273 R HN 0.550 nan 8.270 nan 0.000 0.435 274 G N 1.597 110.527 108.800 0.215 0.000 2.469 274 G HA2 -0.293 3.668 3.960 0.001 0.000 0.219 274 G HA3 -0.293 3.668 3.960 0.001 0.000 0.219 274 G C 1.146 176.156 174.900 0.184 0.000 1.150 274 G CA 0.846 46.108 45.100 0.271 0.000 0.763 274 G HN 0.266 nan 8.290 nan 0.000 0.561 275 K N 0.363 120.830 120.400 0.111 0.000 2.097 275 K HA -0.021 4.299 4.320 0.001 0.000 0.205 275 K C 2.541 179.147 176.600 0.010 0.000 1.050 275 K CA 1.088 57.410 56.287 0.059 0.000 0.938 275 K CB -0.136 32.390 32.500 0.043 0.000 0.718 275 K HN 0.218 nan 8.250 nan 0.000 0.442 276 K N 0.406 120.808 120.400 0.004 0.000 2.057 276 K HA -0.158 4.163 4.320 0.001 0.000 0.207 276 K C 1.966 178.504 176.600 -0.103 0.000 1.049 276 K CA 1.408 57.669 56.287 -0.043 0.000 0.931 276 K CB -0.259 32.224 32.500 -0.028 0.000 0.714 276 K HN 0.073 nan 8.250 nan 0.000 0.440 277 F N 1.788 121.559 119.950 -0.298 0.000 2.161 277 F HA -0.208 4.320 4.527 0.001 0.000 0.300 277 F C 2.064 177.740 175.800 -0.207 0.000 1.089 277 F CA 1.232 58.984 58.000 -0.413 0.000 1.282 277 F CB -0.443 38.093 39.000 -0.774 0.000 1.010 277 F HN -0.019 nan 8.300 nan 0.000 0.485 278 A N -0.305 122.350 122.820 -0.275 0.000 1.883 278 A HA -0.208 4.112 4.320 0.001 0.000 0.217 278 A C 2.423 179.822 177.584 -0.307 0.000 1.186 278 A CA 2.259 54.116 52.037 -0.299 0.000 0.624 278 A CB -1.403 17.546 19.000 -0.084 0.000 0.822 278 A HN 0.449 nan 8.150 nan 0.000 0.444 279 S N -0.423 115.152 115.700 -0.208 0.000 2.368 279 S HA -0.017 4.453 4.470 0.001 0.000 0.225 279 S C 2.330 176.810 174.600 -0.200 0.000 1.030 279 S CA 1.165 59.268 58.200 -0.162 0.000 0.999 279 S CB -0.506 62.631 63.200 -0.106 0.000 0.844 279 S HN 0.815 nan 8.310 nan 0.000 0.459 280 A N 1.457 124.122 122.820 -0.259 0.000 1.883 280 A HA -0.114 4.207 4.320 0.001 0.000 0.217 280 A C 2.126 179.541 177.584 -0.280 0.000 1.186 280 A CA 1.616 53.504 52.037 -0.247 0.000 0.624 280 A CB -0.829 18.008 19.000 -0.272 0.000 0.822 280 A HN 0.433 nan 8.150 nan 0.000 0.444 281 L N -0.116 120.792 121.223 -0.524 0.000 2.042 281 L HA -0.129 4.212 4.340 0.001 0.000 0.210 281 L C 2.608 179.367 176.870 -0.185 0.000 1.076 281 L CA 2.637 57.212 54.840 -0.443 0.000 0.749 281 L CB -0.802 40.840 42.059 -0.696 0.000 0.893 281 L HN 0.368 nan 8.230 nan 0.000 0.432 282 S N -0.813 114.771 115.700 -0.193 0.000 2.370 282 S HA -0.289 4.182 4.470 0.001 0.000 0.226 282 S C 2.230 176.776 174.600 -0.090 0.000 1.033 282 S CA 1.828 59.957 58.200 -0.118 0.000 1.011 282 S CB -0.389 62.748 63.200 -0.105 0.000 0.852 282 S HN 0.560 nan 8.310 nan 0.000 0.457 283 K N -0.655 119.694 120.400 -0.085 0.000 2.057 283 K HA -0.127 4.193 4.320 0.001 0.000 0.207 283 K C 1.977 178.549 176.600 -0.048 0.000 1.049 283 K CA 1.557 57.806 56.287 -0.064 0.000 0.931 283 K CB -0.435 32.032 32.500 -0.055 0.000 0.714 283 K HN 0.465 nan 8.250 nan 0.000 0.440 284 F N 1.446 121.298 119.950 -0.162 0.000 2.069 284 F HA -0.243 4.285 4.527 0.001 0.000 0.298 284 F C 1.860 177.553 175.800 -0.177 0.000 1.113 284 F CA 1.467 59.375 58.000 -0.152 0.000 1.214 284 F CB -0.450 38.452 39.000 -0.164 0.000 0.978 284 F HN -0.203 nan 8.300 nan 0.000 0.474 285 V N 0.624 120.444 119.914 -0.157 0.000 2.287 285 V HA -0.344 3.776 4.120 0.001 0.000 0.248 285 V C 2.428 178.350 176.094 -0.288 0.000 1.053 285 V CA 2.333 64.459 62.300 -0.290 0.000 1.027 285 V CB -0.849 30.875 31.823 -0.165 0.000 0.646 285 V HN 0.469 nan 8.190 nan 0.000 0.447 286 E N 0.342 120.425 120.200 -0.195 0.000 2.070 286 E HA -0.314 4.037 4.350 0.001 0.000 0.197 286 E C 2.281 178.770 176.600 -0.184 0.000 1.004 286 E CA 1.834 58.141 56.400 -0.154 0.000 0.805 286 E CB -0.184 29.451 29.700 -0.109 0.000 0.744 286 E HN 0.832 nan 8.360 nan 0.000 0.451 287 E N -0.254 119.806 120.200 -0.233 0.000 2.268 287 E HA -0.222 4.129 4.350 0.001 0.000 0.195 287 E C 1.846 178.276 176.600 -0.283 0.000 0.995 287 E CA 0.692 56.953 56.400 -0.231 0.000 0.836 287 E CB 0.004 29.572 29.700 -0.221 0.000 0.763 287 E HN 0.229 nan 8.360 nan 0.000 0.491 288 Q N 1.062 120.618 119.800 -0.408 0.000 2.291 288 Q HA -0.115 4.225 4.340 0.001 0.000 0.205 288 Q C 0.457 176.350 176.000 -0.178 0.000 0.970 288 Q CA 0.938 56.534 55.803 -0.344 0.000 0.876 288 Q CB -0.641 27.825 28.738 -0.453 0.000 0.935 288 Q HN 0.382 nan 8.270 nan 0.000 0.455 289 N N 0.254 118.856 118.700 -0.163 0.000 2.688 289 N HA -0.195 4.546 4.740 0.001 0.000 0.258 289 N C -1.348 174.120 175.510 -0.070 0.000 1.016 289 N CA 0.258 53.247 53.050 -0.102 0.000 0.747 289 N CB -1.288 37.149 38.487 -0.083 0.000 0.895 289 N HN 0.194 nan 8.380 nan 0.000 0.543 290 L N 0.423 121.604 121.223 -0.069 0.000 2.326 290 L HA 0.204 4.545 4.340 0.001 0.000 0.278 290 L C 1.694 178.549 176.870 -0.025 0.000 1.092 290 L CA -0.726 54.096 54.840 -0.031 0.000 0.810 290 L CB 1.070 43.121 42.059 -0.013 0.000 1.153 290 L HN 0.180 nan 8.230 nan 0.000 0.439 291 K N 1.512 121.904 120.400 -0.014 0.000 2.032 291 K HA -0.065 4.255 4.320 0.001 0.000 0.209 291 K C 0.099 176.696 176.600 -0.005 0.000 1.048 291 K CA 1.649 57.929 56.287 -0.011 0.000 0.927 291 K CB 0.165 32.660 32.500 -0.008 0.000 0.712 291 K HN 0.567 nan 8.250 nan 0.000 0.441 292 D N -1.196 119.206 120.400 0.003 0.000 2.581 292 D HA 0.383 5.024 4.640 0.001 0.000 0.232 292 D C -1.470 174.840 176.300 0.017 0.000 1.143 292 D CA -0.592 53.415 54.000 0.012 0.000 0.881 292 D CB 1.884 42.694 40.800 0.018 0.000 1.500 292 D HN 0.023 nan 8.370 nan 0.000 0.458 293 L N 1.063 122.299 121.223 0.023 0.000 2.676 293 L HA 0.318 4.659 4.340 0.001 0.000 0.262 293 L C -1.518 175.374 176.870 0.038 0.000 0.932 293 L CA -0.436 54.417 54.840 0.021 0.000 0.932 293 L CB 1.569 43.626 42.059 -0.004 0.000 1.355 293 L HN 0.219 nan 8.230 nan 0.000 0.421 294 R N 3.136 123.648 120.500 0.021 0.000 2.457 294 R HA 0.781 5.122 4.340 0.001 0.000 0.284 294 R C -1.191 175.114 176.300 0.009 0.000 1.024 294 R CA -0.698 55.441 56.100 0.065 0.000 1.025 294 R CB 1.904 32.245 30.300 0.068 0.000 1.063 294 R HN 0.463 nan 8.270 nan 0.000 0.493 295 V N 3.237 123.265 119.914 0.190 0.000 2.487 295 V HA 0.404 4.524 4.120 0.001 0.000 0.298 295 V C -0.926 175.506 176.094 0.563 0.000 1.028 295 V CA -0.866 61.572 62.300 0.230 0.000 0.860 295 V CB 1.768 33.740 31.823 0.249 0.000 0.991 295 V HN 0.583 nan 8.190 nan 0.000 0.427 296 W N 2.598 124.045 121.300 0.245 0.000 2.736 296 W HA 0.811 5.472 4.660 0.001 0.000 0.335 296 W C 0.328 176.984 176.519 0.229 0.000 1.059 296 W CA -0.843 56.695 57.345 0.321 0.000 1.226 296 W CB 1.905 31.501 29.460 0.227 0.000 1.416 296 W HN 0.694 nan 8.180 nan 0.000 0.505 297 T N -1.910 112.959 114.554 0.525 0.000 2.804 297 T HA 0.729 5.079 4.350 0.001 0.000 0.290 297 T C 0.298 175.207 174.700 0.348 0.000 1.099 297 T CA -0.547 61.747 62.100 0.324 0.000 1.011 297 T CB 1.400 70.392 68.868 0.207 0.000 1.291 297 T HN 0.328 nan 8.240 nan 0.000 0.523 298 S N 0.002 115.872 115.700 0.283 0.000 2.566 298 S HA 0.347 4.817 4.470 0.001 0.000 0.277 298 S C 0.614 175.361 174.600 0.245 0.000 1.150 298 S CA -0.776 57.604 58.200 0.300 0.000 1.032 298 S CB 0.164 63.609 63.200 0.407 0.000 1.157 298 S HN 0.810 nan 8.310 nan 0.000 0.507 299 Q N -0.326 119.586 119.800 0.187 0.000 2.179 299 Q HA 0.402 4.743 4.340 0.001 0.000 0.213 299 Q C -0.779 175.281 176.000 0.100 0.000 0.833 299 Q CA -0.117 55.767 55.803 0.134 0.000 0.990 299 Q CB 0.109 28.903 28.738 0.093 0.000 1.132 299 Q HN 0.490 nan 8.270 nan 0.000 0.493 300 L N 1.188 122.485 121.223 0.124 0.000 2.305 300 L HA 0.195 4.536 4.340 0.001 0.000 0.281 300 L C 1.449 178.362 176.870 0.071 0.000 1.085 300 L CA -0.233 54.653 54.840 0.076 0.000 0.813 300 L CB 0.867 42.976 42.059 0.084 0.000 1.157 300 L HN 0.059 nan 8.230 nan 0.000 0.436 301 K N 1.414 121.830 120.400 0.027 0.000 2.127 301 K HA -0.285 4.036 4.320 0.001 0.000 0.212 301 K C 2.083 178.693 176.600 0.016 0.000 1.050 301 K CA 2.185 58.484 56.287 0.021 0.000 0.929 301 K CB 0.024 32.523 32.500 -0.002 0.000 0.715 301 K HN 0.692 nan 8.250 nan 0.000 0.457 302 S N -0.391 115.300 115.700 -0.014 0.000 2.368 302 S HA -0.205 4.266 4.470 0.001 0.000 0.226 302 S C 1.964 176.596 174.600 0.054 0.000 1.044 302 S CA 2.456 60.636 58.200 -0.034 0.000 1.062 302 S CB -0.637 62.400 63.200 -0.271 0.000 0.931 302 S HN 0.742 nan 8.310 nan 0.000 0.440 303 T N -0.115 114.471 114.554 0.053 0.000 2.904 303 T HA 0.099 4.450 4.350 0.001 0.000 0.267 303 T C 1.813 176.503 174.700 -0.017 0.000 1.059 303 T CA 1.190 63.321 62.100 0.051 0.000 1.137 303 T CB -0.599 68.294 68.868 0.040 0.000 0.879 303 T HN 0.480 nan 8.240 nan 0.000 0.467 304 I N 1.046 121.604 120.570 -0.021 0.000 2.315 304 I HA -0.131 4.039 4.170 0.001 0.000 0.248 304 I C 3.036 179.065 176.117 -0.145 0.000 1.117 304 I CA 1.208 62.432 61.300 -0.127 0.000 1.404 304 I CB -0.514 37.509 38.000 0.038 0.000 1.071 304 I HN 0.283 nan 8.210 nan 0.000 0.419 305 Q N 0.363 120.142 119.800 -0.035 0.000 2.084 305 Q HA -0.167 4.174 4.340 0.001 0.000 0.202 305 Q C 2.272 178.254 176.000 -0.030 0.000 0.978 305 Q CA 2.094 57.890 55.803 -0.011 0.000 0.844 305 Q CB -0.208 28.546 28.738 0.027 0.000 0.898 305 Q HN 0.481 nan 8.270 nan 0.000 0.426 306 T N 0.837 115.387 114.554 -0.007 0.000 2.684 306 T HA -0.195 4.156 4.350 0.001 0.000 0.267 306 T C 1.886 176.531 174.700 -0.092 0.000 1.036 306 T CA 1.330 63.433 62.100 0.006 0.000 1.148 306 T CB -0.334 68.599 68.868 0.109 0.000 0.863 306 T HN 0.411 nan 8.240 nan 0.000 0.436 307 A N 1.642 124.339 122.820 -0.205 0.000 1.933 307 A HA -0.137 4.183 4.320 0.001 0.000 0.218 307 A C 2.292 179.731 177.584 -0.242 0.000 1.175 307 A CA 1.307 53.142 52.037 -0.336 0.000 0.628 307 A CB -0.442 18.056 19.000 -0.836 0.000 0.814 307 A HN 0.345 nan 8.150 nan 0.000 0.444 308 E N -0.041 120.037 120.200 -0.204 0.000 2.130 308 E HA -0.205 4.146 4.350 0.001 0.000 0.196 308 E C 2.296 178.902 176.600 0.009 0.000 0.998 308 E CA 1.223 57.625 56.400 0.004 0.000 0.806 308 E CB -0.524 29.198 29.700 0.036 0.000 0.738 308 E HN 0.603 nan 8.360 nan 0.000 0.459 309 A N 1.085 123.885 122.820 -0.034 0.000 1.978 309 A HA -0.153 4.168 4.320 0.001 0.000 0.220 309 A C 2.315 179.875 177.584 -0.039 0.000 1.170 309 A CA 1.017 53.030 52.037 -0.040 0.000 0.636 309 A CB -0.625 18.331 19.000 -0.074 0.000 0.810 309 A HN 0.199 nan 8.150 nan 0.000 0.448 310 L N -2.221 118.981 121.223 -0.035 0.000 2.201 310 L HA -0.062 4.279 4.340 0.001 0.000 0.212 310 L C 0.875 177.753 176.870 0.013 0.000 1.105 310 L CA 0.816 55.643 54.840 -0.022 0.000 0.775 310 L CB -0.385 41.666 42.059 -0.013 0.000 0.913 310 L HN 0.426 nan 8.230 nan 0.000 0.440 311 R N -0.169 120.360 120.500 0.048 0.000 3.423 311 R HA -0.135 4.206 4.340 0.001 0.000 0.271 311 R C -0.899 175.443 176.300 0.069 0.000 1.093 311 R CA 0.300 56.435 56.100 0.059 0.000 0.730 311 R CB -2.210 28.105 30.300 0.025 0.000 1.190 311 R HN 0.291 nan 8.270 nan 0.000 0.437 312 L N 0.388 121.682 121.223 0.118 0.000 2.388 312 L HA 0.591 4.932 4.340 0.001 0.000 0.264 312 L C -1.925 175.054 176.870 0.181 0.000 0.998 312 L CA -2.403 52.507 54.840 0.116 0.000 0.817 312 L CB 2.074 44.191 42.059 0.095 0.000 1.338 312 L HN -0.160 nan 8.230 nan 0.000 0.414 313 P HA 0.111 nan 4.420 nan 0.000 0.267 313 P C -1.704 175.691 177.300 0.157 0.000 1.205 313 P CA 0.182 63.310 63.100 0.045 0.000 0.765 313 P CB 0.227 31.938 31.700 0.019 0.000 0.828 314 Y N -1.122 119.252 120.300 0.123 0.000 2.545 314 Y HA 0.684 5.234 4.550 0.001 0.000 0.348 314 Y C -0.552 175.462 175.900 0.190 0.000 1.002 314 Y CA -1.634 56.581 58.100 0.191 0.000 1.039 314 Y CB 1.638 40.203 38.460 0.175 0.000 1.271 314 Y HN 0.347 nan 8.280 nan 0.000 0.467 315 E N 2.022 122.480 120.200 0.431 0.000 2.187 315 E HA 0.313 4.663 4.350 0.001 0.000 0.268 315 E C -1.347 175.450 176.600 0.329 0.000 0.896 315 E CA -0.852 55.676 56.400 0.213 0.000 0.766 315 E CB 1.387 31.130 29.700 0.072 0.000 1.142 315 E HN 0.799 nan 8.360 nan 0.000 0.408 316 Q N 2.778 122.690 119.800 0.187 0.000 2.230 316 Q HA 0.309 4.649 4.340 0.001 0.000 0.248 316 Q C -1.193 174.876 176.000 0.115 0.000 0.915 316 Q CA -0.307 55.649 55.803 0.254 0.000 0.900 316 Q CB 1.357 30.210 28.738 0.193 0.000 1.229 316 Q HN 0.409 nan 8.270 nan 0.000 0.439 317 W N 1.347 122.667 121.300 0.034 0.000 2.715 317 W HA 0.338 4.998 4.660 0.001 0.000 0.331 317 W C 0.766 177.302 176.519 0.027 0.000 1.031 317 W CA -0.720 56.616 57.345 -0.014 0.000 1.237 317 W CB 1.252 30.686 29.460 -0.043 0.000 1.378 317 W HN 0.640 nan 8.180 nan 0.000 0.454 318 K N 2.133 122.660 120.400 0.212 0.000 2.211 318 K HA -0.114 4.207 4.320 0.001 0.000 0.203 318 K C 1.829 178.521 176.600 0.154 0.000 1.050 318 K CA 1.619 57.991 56.287 0.141 0.000 0.945 318 K CB 0.113 32.658 32.500 0.075 0.000 0.732 318 K HN 0.573 nan 8.250 nan 0.000 0.451 319 A N 0.851 123.802 122.820 0.219 0.000 2.070 319 A HA -0.064 4.257 4.320 0.001 0.000 0.220 319 A C 1.778 179.444 177.584 0.136 0.000 1.159 319 A CA 0.907 53.047 52.037 0.171 0.000 0.656 319 A CB -0.298 18.833 19.000 0.219 0.000 0.800 319 A HN 0.311 nan 8.150 nan 0.000 0.453 320 L N -0.155 121.174 121.223 0.177 0.000 2.591 320 L HA 0.028 4.368 4.340 0.001 0.000 0.228 320 L C 0.318 177.303 176.870 0.193 0.000 1.133 320 L CA -0.303 54.638 54.840 0.168 0.000 0.880 320 L CB -0.551 41.617 42.059 0.181 0.000 1.033 320 L HN 0.386 nan 8.230 nan 0.000 0.450 321 N N 1.150 119.912 118.700 0.103 0.000 2.395 321 N HA -0.045 4.696 4.740 0.001 0.000 0.246 321 N C 0.305 175.703 175.510 -0.186 0.000 1.246 321 N CA -0.169 52.853 53.050 -0.047 0.000 0.879 321 N CB 0.534 38.987 38.487 -0.057 0.000 1.098 321 N HN 0.070 nan 8.380 nan 0.000 0.444 322 E N 1.900 121.758 120.200 -0.571 0.000 2.438 322 E HA 0.018 4.369 4.350 0.001 0.000 0.261 322 E C -0.165 176.293 176.600 -0.237 0.000 1.103 322 E CA -0.236 55.919 56.400 -0.408 0.000 0.959 322 E CB 0.495 29.880 29.700 -0.525 0.000 0.958 322 E HN 0.363 nan 8.360 nan 0.000 0.447 323 I N 2.255 122.708 120.570 -0.196 0.000 2.880 323 I HA -0.109 4.061 4.170 0.001 0.000 0.296 323 I C -0.001 176.000 176.117 -0.193 0.000 1.220 323 I CA 0.618 61.798 61.300 -0.201 0.000 1.435 323 I CB 0.431 38.270 38.000 -0.268 0.000 1.339 323 I HN 0.488 nan 8.210 nan 0.000 0.583 324 D N 6.600 126.899 120.400 -0.167 0.000 2.347 324 D HA 0.248 4.888 4.640 0.001 0.000 0.235 324 D C 0.358 176.511 176.300 -0.245 0.000 1.149 324 D CA -0.209 53.680 54.000 -0.185 0.000 0.850 324 D CB 1.641 42.362 40.800 -0.132 0.000 1.061 324 D HN 0.641 nan 8.370 nan 0.000 0.487 325 A N 3.386 125.928 122.820 -0.463 0.000 2.265 325 A HA 0.399 4.720 4.320 0.001 0.000 0.213 325 A C 1.522 178.757 177.584 -0.582 0.000 1.255 325 A CA 0.680 52.084 52.037 -1.055 0.000 0.862 325 A CB -0.733 17.491 19.000 -1.294 0.000 0.852 325 A HN 0.850 nan 8.150 nan 0.000 0.484 326 G N -0.299 108.353 108.800 -0.246 0.000 2.665 326 G HA2 -0.412 3.548 3.960 0.001 0.000 0.326 326 G HA3 -0.412 3.548 3.960 0.001 0.000 0.326 326 G C 1.277 176.101 174.900 -0.127 0.000 1.231 326 G CA 2.111 47.136 45.100 -0.125 0.000 0.992 326 G HN 1.514 nan 8.290 nan 0.000 0.549 327 V N -1.983 117.867 119.914 -0.107 0.000 3.573 327 V HA 0.266 4.387 4.120 0.001 0.000 0.270 327 V C 2.044 178.070 176.094 -0.113 0.000 1.221 327 V CA 1.794 64.043 62.300 -0.085 0.000 1.163 327 V CB -0.510 31.277 31.823 -0.060 0.000 0.847 327 V HN 0.848 nan 8.190 nan 0.000 0.468 328 C N -0.126 119.060 119.300 -0.191 0.000 2.906 328 C HA 0.313 4.774 4.460 0.001 0.000 0.274 328 C C 1.037 175.913 174.990 -0.190 0.000 1.257 328 C CA -0.651 58.265 59.018 -0.171 0.000 1.695 328 C CB -1.026 26.610 27.740 -0.174 0.000 1.958 328 C HN 0.516 nan 8.230 nan 0.000 0.619 329 E N 1.887 121.971 120.200 -0.195 0.000 2.481 329 E HA -0.046 4.304 4.350 0.001 0.000 0.263 329 E C 0.764 177.323 176.600 -0.069 0.000 0.992 329 E CA 0.864 57.172 56.400 -0.153 0.000 0.938 329 E CB 0.181 29.811 29.700 -0.116 0.000 0.933 329 E HN 0.468 nan 8.360 nan 0.000 0.453 330 E N -1.010 119.174 120.200 -0.026 0.000 3.799 330 E HA -0.281 4.069 4.350 0.001 0.000 0.320 330 E C -0.052 176.516 176.600 -0.053 0.000 0.760 330 E CA 0.518 56.935 56.400 0.028 0.000 1.153 330 E CB -1.233 28.506 29.700 0.064 0.000 1.589 330 E HN 0.176 nan 8.360 nan 0.000 0.448 331 L N 1.584 122.767 121.223 -0.066 0.000 2.379 331 L HA 0.294 4.635 4.340 0.001 0.000 0.269 331 L C 1.217 178.027 176.870 -0.100 0.000 1.084 331 L CA 0.329 55.140 54.840 -0.048 0.000 0.802 331 L CB 1.255 43.324 42.059 0.017 0.000 1.175 331 L HN 0.125 nan 8.230 nan 0.000 0.448 332 T N -1.620 112.902 114.554 -0.054 0.000 2.918 332 T HA 0.247 4.597 4.350 0.001 0.000 0.283 332 T C 1.188 175.892 174.700 0.008 0.000 1.001 332 T CA -0.157 61.918 62.100 -0.042 0.000 1.041 332 T CB 0.311 69.194 68.868 0.026 0.000 1.028 332 T HN 0.389 nan 8.240 nan 0.000 0.511 333 Y N 0.061 120.439 120.300 0.130 0.000 2.256 333 Y HA -0.121 4.430 4.550 0.001 0.000 0.288 333 Y C 2.822 178.829 175.900 0.177 0.000 1.155 333 Y CA 1.703 59.935 58.100 0.220 0.000 1.203 333 Y CB -0.109 38.489 38.460 0.231 0.000 0.980 333 Y HN 0.814 nan 8.280 nan 0.000 0.530 334 E N 1.169 121.503 120.200 0.224 0.000 2.051 334 E HA -0.239 4.111 4.350 0.001 0.000 0.192 334 E C 1.548 178.180 176.600 0.054 0.000 0.991 334 E CA 1.586 58.041 56.400 0.091 0.000 0.799 334 E CB -0.092 29.646 29.700 0.063 0.000 0.748 334 E HN 0.613 nan 8.360 nan 0.000 0.449 335 E N 0.340 120.582 120.200 0.069 0.000 2.153 335 E HA -0.134 4.217 4.350 0.001 0.000 0.194 335 E C 2.298 178.967 176.600 0.114 0.000 0.988 335 E CA 1.056 57.490 56.400 0.057 0.000 0.811 335 E CB -0.071 29.657 29.700 0.047 0.000 0.746 335 E HN 0.389 nan 8.360 nan 0.000 0.466 336 I N 0.594 121.282 120.570 0.195 0.000 2.202 336 I HA -0.236 3.935 4.170 0.001 0.000 0.242 336 I C 2.730 179.018 176.117 0.284 0.000 1.091 336 I CA 0.883 62.394 61.300 0.351 0.000 1.368 336 I CB -0.254 37.991 38.000 0.408 0.000 1.058 336 I HN 0.023 nan 8.210 nan 0.000 0.410 337 R N 0.974 121.515 120.500 0.068 0.000 2.091 337 R HA -0.199 4.141 4.340 0.001 0.000 0.238 337 R C 1.836 178.061 176.300 -0.126 0.000 1.136 337 R CA 1.969 57.888 56.100 -0.303 0.000 0.959 337 R CB -0.164 29.681 30.300 -0.758 0.000 0.856 337 R HN 0.355 nan 8.270 nan 0.000 0.437 338 D N -0.875 119.479 120.400 -0.077 0.000 2.103 338 D HA -0.085 4.556 4.640 0.001 0.000 0.199 338 D C 1.739 177.986 176.300 -0.089 0.000 0.978 338 D CA 1.668 55.624 54.000 -0.073 0.000 0.829 338 D CB -0.244 40.521 40.800 -0.058 0.000 0.981 338 D HN 0.251 nan 8.370 nan 0.000 0.464 339 T N -0.518 113.967 114.554 -0.115 0.000 2.851 339 T HA -0.086 4.264 4.350 0.001 0.000 0.262 339 T C 0.516 174.926 174.700 -0.484 0.000 1.043 339 T CA 0.768 62.663 62.100 -0.342 0.000 1.140 339 T CB -0.082 68.490 68.868 -0.494 0.000 0.872 339 T HN 0.164 nan 8.240 nan 0.000 0.446 340 Y N 1.149 121.487 120.300 0.064 0.000 2.553 340 Y HA 0.296 4.847 4.550 0.001 0.000 0.369 340 Y C -1.760 174.199 175.900 0.098 0.000 0.964 340 Y CA -2.760 55.393 58.100 0.089 0.000 1.156 340 Y CB 0.650 39.189 38.460 0.132 0.000 1.218 340 Y HN 0.097 nan 8.280 nan 0.000 0.630 341 P HA -0.239 nan 4.420 nan 0.000 0.216 341 P C 0.775 178.162 177.300 0.146 0.000 1.153 341 P CA 1.835 64.989 63.100 0.090 0.000 0.858 341 P CB 0.585 32.294 31.700 0.016 0.000 0.789 342 E N -0.330 119.951 120.200 0.134 0.000 2.072 342 E HA -0.156 4.195 4.350 0.001 0.000 0.191 342 E C 2.142 178.821 176.600 0.132 0.000 0.985 342 E CA 0.752 57.222 56.400 0.117 0.000 0.801 342 E CB -0.248 29.510 29.700 0.096 0.000 0.750 342 E HN 0.288 nan 8.360 nan 0.000 0.452 343 E N 0.468 120.778 120.200 0.184 0.000 2.077 343 E HA -0.192 4.159 4.350 0.001 0.000 0.193 343 E C 1.826 178.419 176.600 -0.012 0.000 0.989 343 E CA 0.872 57.364 56.400 0.153 0.000 0.800 343 E CB -0.406 29.422 29.700 0.212 0.000 0.746 343 E HN 0.376 nan 8.360 nan 0.000 0.452 344 Y N 1.284 121.568 120.300 -0.027 0.000 2.097 344 Y HA -0.266 4.285 4.550 0.001 0.000 0.282 344 Y C 2.363 178.187 175.900 -0.127 0.000 1.152 344 Y CA 2.108 60.166 58.100 -0.069 0.000 1.136 344 Y CB -0.353 38.130 38.460 0.037 0.000 0.975 344 Y HN 0.038 nan 8.280 nan 0.000 0.498 345 A N 0.154 123.083 122.820 0.181 0.000 1.908 345 A HA -0.186 4.134 4.320 0.001 0.000 0.218 345 A C 2.274 179.826 177.584 -0.054 0.000 1.181 345 A CA 1.853 53.938 52.037 0.081 0.000 0.627 345 A CB -1.188 17.871 19.000 0.098 0.000 0.818 345 A HN 0.584 nan 8.150 nan 0.000 0.445 346 L N -1.320 119.858 121.223 -0.076 0.000 2.083 346 L HA -0.186 4.155 4.340 0.001 0.000 0.209 346 L C 2.810 179.532 176.870 -0.246 0.000 1.083 346 L CA 1.781 56.577 54.840 -0.074 0.000 0.752 346 L CB -0.380 41.717 42.059 0.062 0.000 0.899 346 L HN 0.457 nan 8.230 nan 0.000 0.433 347 R N 0.147 120.227 120.500 -0.699 0.000 2.090 347 R HA -0.151 4.190 4.340 0.001 0.000 0.228 347 R C 2.113 178.176 176.300 -0.395 0.000 1.110 347 R CA 1.187 56.724 56.100 -0.939 0.000 0.973 347 R CB 0.007 29.445 30.300 -1.436 0.000 0.869 347 R HN 0.340 nan 8.270 nan 0.000 0.440 348 E N 0.134 120.144 120.200 -0.317 0.000 2.204 348 E HA -0.208 4.142 4.350 0.001 0.000 0.194 348 E C 1.648 178.223 176.600 -0.042 0.000 0.989 348 E CA 1.266 57.573 56.400 -0.155 0.000 0.824 348 E CB 0.194 29.810 29.700 -0.139 0.000 0.756 348 E HN 0.575 nan 8.360 nan 0.000 0.477 349 Q N -0.364 119.412 119.800 -0.041 0.000 2.392 349 Q HA 0.008 4.348 4.340 0.001 0.000 0.203 349 Q C 0.102 176.132 176.000 0.051 0.000 0.917 349 Q CA 0.521 56.330 55.803 0.010 0.000 0.939 349 Q CB 0.614 29.357 28.738 0.008 0.000 1.063 349 Q HN -0.112 nan 8.270 nan 0.000 0.516 350 D N 0.536 120.971 120.400 0.059 0.000 3.407 350 D HA 0.119 4.760 4.640 0.001 0.000 0.291 350 D C 0.099 176.482 176.300 0.139 0.000 1.309 350 D CA -0.134 53.950 54.000 0.140 0.000 0.747 350 D CB 0.363 41.263 40.800 0.167 0.000 1.343 350 D HN 0.088 nan 8.370 nan 0.000 0.631 351 K N -0.346 120.088 120.400 0.057 0.000 2.218 351 K HA -0.210 4.110 4.320 0.001 0.000 0.205 351 K C 1.432 178.011 176.600 -0.035 0.000 1.046 351 K CA 1.097 57.355 56.287 -0.048 0.000 0.933 351 K CB 0.093 32.449 32.500 -0.240 0.000 0.728 351 K HN 0.318 nan 8.250 nan 0.000 0.454 352 Y N -0.620 119.593 120.300 -0.145 0.000 2.269 352 Y HA -0.141 4.409 4.550 0.001 0.000 0.294 352 Y C 1.244 177.012 175.900 -0.221 0.000 1.120 352 Y CA 1.372 59.317 58.100 -0.259 0.000 1.159 352 Y CB 0.003 38.209 38.460 -0.422 0.000 1.024 352 Y HN 0.034 nan 8.280 nan 0.000 0.532 353 Y N -1.711 118.617 120.300 0.047 0.000 2.490 353 Y HA -0.022 4.529 4.550 0.001 0.000 0.285 353 Y C 0.466 176.328 175.900 -0.063 0.000 1.117 353 Y CA 0.100 58.170 58.100 -0.050 0.000 1.262 353 Y CB -0.546 37.945 38.460 0.052 0.000 1.043 353 Y HN 0.050 nan 8.280 nan 0.000 0.553 354 Y N 2.852 123.160 120.300 0.013 0.000 2.712 354 Y HA 0.065 4.616 4.550 0.001 0.000 0.333 354 Y C 0.416 176.238 175.900 -0.130 0.000 1.225 354 Y CA -0.476 57.578 58.100 -0.076 0.000 1.499 354 Y CB 0.272 38.651 38.460 -0.135 0.000 1.288 354 Y HN -0.005 nan 8.280 nan 0.000 0.575 355 R N 5.741 125.626 120.500 -1.025 0.000 2.534 355 R HA 0.316 4.656 4.340 0.001 0.000 0.301 355 R C -1.634 174.028 176.300 -1.062 0.000 0.961 355 R CA -0.718 54.937 56.100 -0.742 0.000 0.871 355 R CB 0.785 30.849 30.300 -0.394 0.000 1.170 355 R HN 0.777 nan 8.270 nan 0.000 0.446 356 Y N 4.127 124.114 120.300 -0.523 0.000 2.480 356 Y HA 0.138 4.689 4.550 0.001 0.000 0.338 356 Y C -1.649 174.100 175.900 -0.252 0.000 1.220 356 Y CA -1.467 56.470 58.100 -0.271 0.000 1.430 356 Y CB 0.692 39.094 38.460 -0.096 0.000 1.311 356 Y HN 0.486 nan 8.280 nan 0.000 0.575 357 P HA -0.060 nan 4.420 nan 0.000 0.260 357 P C 0.280 177.560 177.300 -0.033 0.000 1.207 357 P CA 1.280 64.345 63.100 -0.057 0.000 0.780 357 P CB 0.092 31.757 31.700 -0.059 0.000 0.789 358 T N -0.109 114.423 114.554 -0.037 0.000 4.712 358 T HA -0.154 4.196 4.350 0.001 0.000 0.304 358 T C 0.540 175.218 174.700 -0.036 0.000 1.250 358 T CA 0.913 62.998 62.100 -0.025 0.000 2.371 358 T CB -2.207 66.653 68.868 -0.012 0.000 1.829 358 T HN 0.608 nan 8.240 nan 0.000 0.953 359 G N -0.473 108.306 108.800 -0.034 0.000 3.257 359 G HA2 0.730 4.691 3.960 0.001 0.000 0.205 359 G HA3 0.730 4.691 3.960 0.001 0.000 0.205 359 G C -0.975 173.900 174.900 -0.043 0.000 1.234 359 G CA -0.665 44.417 45.100 -0.031 0.000 0.918 359 G HN 0.591 nan 8.290 nan 0.000 0.602 360 E N -1.126 119.061 120.200 -0.021 0.000 2.355 360 E HA 0.592 4.942 4.350 0.001 0.000 0.261 360 E C -0.678 175.883 176.600 -0.064 0.000 0.943 360 E CA -0.789 55.570 56.400 -0.068 0.000 0.806 360 E CB 2.131 31.772 29.700 -0.098 0.000 1.286 360 E HN 0.568 nan 8.360 nan 0.000 0.424 361 S N -0.813 114.802 115.700 -0.142 0.000 2.634 361 S HA 0.287 4.757 4.470 0.001 0.000 0.296 361 S C 0.150 174.601 174.600 -0.249 0.000 1.104 361 S CA -0.637 57.465 58.200 -0.163 0.000 0.920 361 S CB 0.451 63.523 63.200 -0.214 0.000 1.111 361 S HN 0.564 nan 8.310 nan 0.000 0.493 362 Y N 0.680 120.762 120.300 -0.363 0.000 2.256 362 Y HA -0.138 4.413 4.550 0.001 0.000 0.288 362 Y C 2.896 178.436 175.900 -0.599 0.000 1.155 362 Y CA 2.039 59.895 58.100 -0.407 0.000 1.203 362 Y CB -0.239 37.980 38.460 -0.402 0.000 0.980 362 Y HN 0.850 nan 8.280 nan 0.000 0.530 363 Q N 0.235 119.578 119.800 -0.762 0.000 2.124 363 Q HA -0.212 4.129 4.340 0.001 0.000 0.202 363 Q C 1.360 177.165 176.000 -0.326 0.000 0.977 363 Q CA 1.833 57.243 55.803 -0.655 0.000 0.850 363 Q CB -0.020 28.377 28.738 -0.568 0.000 0.901 363 Q HN 0.411 nan 8.270 nan 0.000 0.429 364 D N 0.516 120.760 120.400 -0.261 0.000 2.144 364 D HA -0.143 4.497 4.640 0.001 0.000 0.199 364 D C 2.012 178.217 176.300 -0.159 0.000 0.984 364 D CA 0.803 54.698 54.000 -0.175 0.000 0.834 364 D CB -0.183 40.530 40.800 -0.145 0.000 0.955 364 D HN 0.316 nan 8.370 nan 0.000 0.465 365 L N 0.546 121.660 121.223 -0.181 0.000 2.042 365 L HA -0.179 4.161 4.340 0.001 0.000 0.210 365 L C 2.546 179.360 176.870 -0.093 0.000 1.076 365 L CA 0.800 55.567 54.840 -0.122 0.000 0.749 365 L CB -0.476 41.498 42.059 -0.141 0.000 0.893 365 L HN -0.026 nan 8.230 nan 0.000 0.432 366 V N -0.737 119.049 119.914 -0.213 0.000 2.287 366 V HA -0.289 3.832 4.120 0.001 0.000 0.248 366 V C 2.567 178.455 176.094 -0.343 0.000 1.053 366 V CA 1.582 63.599 62.300 -0.472 0.000 1.027 366 V CB -0.557 30.785 31.823 -0.800 0.000 0.646 366 V HN 0.480 nan 8.190 nan 0.000 0.447 367 Q N -0.338 119.325 119.800 -0.228 0.000 2.124 367 Q HA -0.169 4.172 4.340 0.001 0.000 0.202 367 Q C 2.360 178.348 176.000 -0.021 0.000 0.977 367 Q CA 1.398 57.132 55.803 -0.115 0.000 0.850 367 Q CB -0.479 28.204 28.738 -0.092 0.000 0.901 367 Q HN 0.534 nan 8.270 nan 0.000 0.429 368 R N 0.247 120.735 120.500 -0.019 0.000 2.090 368 R HA 0.018 4.359 4.340 0.001 0.000 0.228 368 R C 2.083 178.441 176.300 0.095 0.000 1.110 368 R CA 0.615 56.736 56.100 0.034 0.000 0.973 368 R CB 0.013 30.319 30.300 0.009 0.000 0.869 368 R HN 0.233 nan 8.270 nan 0.000 0.440 369 L N 0.474 121.774 121.223 0.129 0.000 2.509 369 L HA -0.009 4.332 4.340 0.001 0.000 0.222 369 L C 2.370 179.411 176.870 0.286 0.000 1.123 369 L CA 0.161 55.129 54.840 0.214 0.000 0.856 369 L CB -0.256 41.987 42.059 0.306 0.000 0.985 369 L HN 0.168 nan 8.230 nan 0.000 0.456 370 E N 1.601 121.992 120.200 0.319 0.000 2.108 370 E HA -0.229 4.122 4.350 0.001 0.000 0.203 370 E C -0.639 176.113 176.600 0.253 0.000 1.022 370 E CA 1.945 58.564 56.400 0.366 0.000 0.823 370 E CB -0.888 28.982 29.700 0.284 0.000 0.744 370 E HN 0.336 nan 8.360 nan 0.000 0.456 371 P HA -0.040 nan 4.420 nan 0.000 0.225 371 P C 1.739 179.155 177.300 0.193 0.000 1.156 371 P CA 0.626 63.871 63.100 0.241 0.000 0.787 371 P CB 0.057 31.918 31.700 0.269 0.000 0.802 372 V N 0.569 120.515 119.914 0.053 0.000 2.379 372 V HA -0.179 3.942 4.120 0.001 0.000 0.245 372 V C 2.629 178.728 176.094 0.009 0.000 1.044 372 V CA 1.335 63.505 62.300 -0.218 0.000 1.036 372 V CB -0.920 30.724 31.823 -0.299 0.000 0.664 372 V HN -0.016 nan 8.190 nan 0.000 0.453 373 I N -0.599 119.948 120.570 -0.038 0.000 2.179 373 I HA -0.258 3.913 4.170 0.001 0.000 0.242 373 I C 2.402 178.497 176.117 -0.036 0.000 1.088 373 I CA 1.933 63.117 61.300 -0.193 0.000 1.357 373 I CB -0.956 36.652 38.000 -0.653 0.000 1.051 373 I HN 0.351 nan 8.210 nan 0.000 0.409 374 M N 0.620 120.246 119.600 0.043 0.000 2.149 374 M HA -0.199 4.281 4.480 0.001 0.000 0.261 374 M C 2.039 178.400 176.300 0.102 0.000 1.064 374 M CA 1.696 57.021 55.300 0.042 0.000 1.102 374 M CB -0.457 32.185 32.600 0.069 0.000 1.369 374 M HN 0.073 nan 8.290 nan 0.000 0.408 375 E N -0.311 120.026 120.200 0.229 0.000 2.107 375 E HA -0.077 4.274 4.350 0.001 0.000 0.191 375 E C 2.140 179.004 176.600 0.441 0.000 0.982 375 E CA 1.008 57.635 56.400 0.378 0.000 0.809 375 E CB -0.420 29.610 29.700 0.549 0.000 0.756 375 E HN 0.521 nan 8.360 nan 0.000 0.459 376 L N 1.162 122.626 121.223 0.402 0.000 2.079 376 L HA -0.191 4.149 4.340 0.001 0.000 0.210 376 L C 2.311 179.314 176.870 0.221 0.000 1.081 376 L CA 1.034 56.039 54.840 0.275 0.000 0.752 376 L CB -0.237 41.999 42.059 0.296 0.000 0.896 376 L HN 0.033 nan 8.230 nan 0.000 0.433 377 E N 0.059 120.363 120.200 0.173 0.000 2.106 377 E HA -0.167 4.184 4.350 0.001 0.000 0.192 377 E C 2.265 178.955 176.600 0.150 0.000 0.984 377 E CA 0.964 57.413 56.400 0.082 0.000 0.806 377 E CB -0.099 29.565 29.700 -0.060 0.000 0.750 377 E HN 0.483 nan 8.360 nan 0.000 0.458 378 R N 0.275 120.887 120.500 0.187 0.000 2.153 378 R HA 0.007 4.347 4.340 0.001 0.000 0.218 378 R C 1.237 177.682 176.300 0.242 0.000 1.072 378 R CA 0.465 56.697 56.100 0.222 0.000 0.990 378 R CB 0.181 30.578 30.300 0.162 0.000 0.889 378 R HN 0.172 nan 8.270 nan 0.000 0.452 379 Q N 0.115 120.073 119.800 0.262 0.000 2.189 379 Q HA 0.112 4.453 4.340 0.001 0.000 0.193 379 Q C 0.673 176.786 176.000 0.189 0.000 1.034 379 Q CA 0.240 56.159 55.803 0.193 0.000 1.062 379 Q CB 0.812 29.654 28.738 0.173 0.000 1.118 379 Q HN 0.167 nan 8.270 nan 0.000 0.569 380 E N 0.373 120.626 120.200 0.088 0.000 3.332 380 E HA 0.177 4.527 4.350 0.001 0.000 0.315 380 E C -0.339 176.281 176.600 0.033 0.000 0.803 380 E CA -0.514 55.930 56.400 0.074 0.000 1.261 380 E CB 0.083 29.796 29.700 0.022 0.000 2.649 380 E HN 0.400 nan 8.360 nan 0.000 0.554 381 N N 1.643 120.356 118.700 0.020 0.000 2.458 381 N HA 0.244 4.984 4.740 0.001 0.000 0.270 381 N C -0.880 174.616 175.510 -0.024 0.000 1.102 381 N CA 0.181 53.246 53.050 0.025 0.000 0.967 381 N CB 1.668 40.197 38.487 0.069 0.000 1.078 381 N HN -0.009 nan 8.380 nan 0.000 0.471 382 V N 2.347 122.224 119.914 -0.061 0.000 2.808 382 V HA 0.311 4.432 4.120 0.001 0.000 0.308 382 V C -0.732 175.303 176.094 -0.099 0.000 1.099 382 V CA -0.929 61.237 62.300 -0.223 0.000 0.920 382 V CB 2.311 33.797 31.823 -0.561 0.000 1.014 382 V HN 0.419 nan 8.190 nan 0.000 0.425 383 L N 6.001 127.161 121.223 -0.106 0.000 2.298 383 L HA 0.741 5.081 4.340 0.001 0.000 0.284 383 L C -0.689 176.159 176.870 -0.037 0.000 1.013 383 L CA -0.029 54.816 54.840 0.009 0.000 0.824 383 L CB 1.584 43.648 42.059 0.009 0.000 1.221 383 L HN 0.452 nan 8.230 nan 0.000 0.418 384 V N 7.183 127.096 119.914 -0.001 0.000 2.328 384 V HA 0.415 4.536 4.120 0.001 0.000 0.278 384 V C 0.215 176.363 176.094 0.089 0.000 1.021 384 V CA -0.339 61.998 62.300 0.060 0.000 0.838 384 V CB 1.166 33.017 31.823 0.046 0.000 0.999 384 V HN 0.606 nan 8.190 nan 0.000 0.447 385 I N 6.086 126.722 120.570 0.111 0.000 2.307 385 I HA 0.454 4.624 4.170 0.001 0.000 0.289 385 I C 0.606 176.749 176.117 0.044 0.000 1.021 385 I CA -0.125 61.222 61.300 0.077 0.000 1.224 385 I CB 0.580 38.624 38.000 0.074 0.000 1.376 385 I HN 0.879 nan 8.210 nan 0.000 0.470 386 C N 3.871 123.159 119.300 -0.020 0.000 4.405 386 C HA 0.620 5.081 4.460 0.001 0.000 0.246 386 C C -0.148 174.623 174.990 -0.366 0.000 4.244 386 C CA -0.590 58.364 59.018 -0.105 0.000 1.736 386 C CB 1.553 29.356 27.740 0.105 0.000 5.064 386 C HN 0.614 nan 8.230 nan 0.000 0.503 387 H N -0.163 118.995 119.070 0.146 0.000 2.865 387 H HA 0.358 4.915 4.556 0.001 0.000 0.372 387 H C 0.289 175.675 175.328 0.097 0.000 1.173 387 H CA -0.094 56.047 56.048 0.155 0.000 1.147 387 H CB 1.766 31.610 29.762 0.136 0.000 1.805 387 H HN 0.761 nan 8.280 nan 0.000 0.553 388 Q N 1.460 121.386 119.800 0.210 0.000 1.978 388 Q HA -0.241 4.100 4.340 0.001 0.000 0.211 388 Q C 1.979 178.079 176.000 0.168 0.000 1.013 388 Q CA 2.658 58.551 55.803 0.151 0.000 0.869 388 Q CB -0.145 28.679 28.738 0.143 0.000 0.953 388 Q HN 0.780 nan 8.270 nan 0.000 0.415 389 A N -0.353 122.551 122.820 0.140 0.000 1.883 389 A HA -0.174 4.147 4.320 0.001 0.000 0.217 389 A C 2.268 179.909 177.584 0.095 0.000 1.186 389 A CA 1.774 53.858 52.037 0.079 0.000 0.624 389 A CB -0.992 17.857 19.000 -0.252 0.000 0.822 389 A HN 0.357 nan 8.150 nan 0.000 0.444 390 V N -0.128 119.841 119.914 0.092 0.000 2.255 390 V HA -0.248 3.873 4.120 0.001 0.000 0.247 390 V C 2.498 178.703 176.094 0.184 0.000 1.051 390 V CA 2.043 64.422 62.300 0.132 0.000 1.018 390 V CB -0.793 31.132 31.823 0.171 0.000 0.641 390 V HN 0.593 nan 8.190 nan 0.000 0.445 391 L N 0.371 121.700 121.223 0.177 0.000 2.013 391 L HA -0.195 4.146 4.340 0.001 0.000 0.212 391 L C 2.570 179.560 176.870 0.200 0.000 1.073 391 L CA 1.980 56.920 54.840 0.167 0.000 0.753 391 L CB -1.112 41.019 42.059 0.120 0.000 0.890 391 L HN 0.265 nan 8.230 nan 0.000 0.432 392 R N -1.603 119.029 120.500 0.220 0.000 2.103 392 R HA -0.208 4.133 4.340 0.001 0.000 0.242 392 R C 2.354 178.836 176.300 0.303 0.000 1.142 392 R CA 1.776 58.025 56.100 0.248 0.000 0.960 392 R CB -0.909 29.564 30.300 0.288 0.000 0.858 392 R HN 0.451 nan 8.270 nan 0.000 0.439 393 C N 0.531 120.041 119.300 0.350 0.000 2.429 393 C HA -0.047 4.414 4.460 0.001 0.000 0.277 393 C C 2.598 177.881 174.990 0.488 0.000 1.262 393 C CA 0.509 59.806 59.018 0.465 0.000 1.733 393 C CB -0.877 27.117 27.740 0.424 0.000 2.010 393 C HN 0.431 nan 8.230 nan 0.000 0.483 394 L N 0.055 121.478 121.223 0.332 0.000 2.017 394 L HA -0.144 4.197 4.340 0.001 0.000 0.208 394 L C 2.564 179.621 176.870 0.312 0.000 1.073 394 L CA 1.025 56.012 54.840 0.245 0.000 0.745 394 L CB -0.830 41.401 42.059 0.288 0.000 0.894 394 L HN 0.276 nan 8.230 nan 0.000 0.432 395 L N 0.420 121.827 121.223 0.307 0.000 2.042 395 L HA -0.174 4.167 4.340 0.001 0.000 0.210 395 L C 2.665 179.662 176.870 0.212 0.000 1.076 395 L CA 1.968 56.972 54.840 0.272 0.000 0.749 395 L CB -0.731 41.440 42.059 0.186 0.000 0.893 395 L HN 0.175 nan 8.230 nan 0.000 0.432 396 A N -1.495 121.462 122.820 0.228 0.000 1.940 396 A HA -0.301 4.020 4.320 0.001 0.000 0.219 396 A C 2.276 179.937 177.584 0.127 0.000 1.176 396 A CA 1.908 54.075 52.037 0.217 0.000 0.631 396 A CB -1.119 18.084 19.000 0.337 0.000 0.814 396 A HN 0.641 nan 8.150 nan 0.000 0.446 397 Y N -0.583 119.581 120.300 -0.227 0.000 2.133 397 Y HA -0.172 4.379 4.550 0.001 0.000 0.287 397 Y C 1.929 177.554 175.900 -0.458 0.000 1.134 397 Y CA 1.793 59.457 58.100 -0.727 0.000 1.133 397 Y CB -0.637 36.842 38.460 -1.635 0.000 0.987 397 Y HN 0.262 nan 8.280 nan 0.000 0.502 398 F N -0.614 119.143 119.950 -0.321 0.000 2.171 398 F HA -0.170 4.357 4.527 0.001 0.000 0.300 398 F C 1.644 177.297 175.800 -0.245 0.000 1.090 398 F CA 0.721 58.514 58.000 -0.345 0.000 1.293 398 F CB -0.324 38.594 39.000 -0.136 0.000 1.013 398 F HN 0.068 nan 8.300 nan 0.000 0.486 399 L N -0.150 121.091 121.223 0.029 0.000 2.629 399 L HA 0.079 4.420 4.340 0.001 0.000 0.230 399 L C 0.051 176.903 176.870 -0.030 0.000 1.151 399 L CA 0.159 55.002 54.840 0.005 0.000 0.924 399 L CB -1.418 40.665 42.059 0.040 0.000 1.137 399 L HN 0.083 nan 8.230 nan 0.000 0.457 400 D N 0.387 120.740 120.400 -0.079 0.000 2.697 400 D HA -0.212 4.429 4.640 0.001 0.000 0.238 400 D C 0.043 176.341 176.300 -0.004 0.000 1.152 400 D CA 0.615 54.580 54.000 -0.058 0.000 0.666 400 D CB -0.146 40.607 40.800 -0.078 0.000 1.037 400 D HN -0.006 nan 8.370 nan 0.000 0.423 401 K N 0.437 120.861 120.400 0.039 0.000 2.110 401 K HA 0.495 4.815 4.320 0.001 0.000 0.263 401 K C 0.703 177.328 176.600 0.041 0.000 0.975 401 K CA -0.563 55.749 56.287 0.042 0.000 0.895 401 K CB 1.451 33.990 32.500 0.065 0.000 1.060 401 K HN 0.325 nan 8.250 nan 0.000 0.448 402 S N 0.116 115.813 115.700 -0.005 0.000 2.614 402 S HA 0.234 4.705 4.470 0.001 0.000 0.265 402 S C 1.317 175.832 174.600 -0.142 0.000 1.303 402 S CA -0.045 58.119 58.200 -0.060 0.000 1.000 402 S CB 1.124 64.284 63.200 -0.066 0.000 0.935 402 S HN 0.571 nan 8.310 nan 0.000 0.551 403 A N 0.376 122.999 122.820 -0.329 0.000 1.933 403 A HA -0.100 4.221 4.320 0.001 0.000 0.218 403 A C 2.134 179.393 177.584 -0.542 0.000 1.175 403 A CA 1.588 53.158 52.037 -0.777 0.000 0.628 403 A CB -1.079 17.044 19.000 -1.462 0.000 0.814 403 A HN 0.979 nan 8.150 nan 0.000 0.444 404 E N 0.015 120.045 120.200 -0.284 0.000 2.110 404 E HA -0.229 4.122 4.350 0.001 0.000 0.193 404 E C 1.911 178.520 176.600 0.014 0.000 0.988 404 E CA 1.504 57.848 56.400 -0.094 0.000 0.804 404 E CB -0.067 29.613 29.700 -0.034 0.000 0.745 404 E HN 0.927 nan 8.360 nan 0.000 0.458 405 E N -0.144 120.056 120.200 -0.000 0.000 2.400 405 E HA -0.076 4.274 4.350 0.001 0.000 0.195 405 E C 2.175 178.808 176.600 0.056 0.000 1.012 405 E CA -0.002 56.448 56.400 0.084 0.000 0.875 405 E CB -0.332 29.400 29.700 0.052 0.000 0.859 405 E HN 0.201 nan 8.360 nan 0.000 0.498 406 M N 2.523 122.110 119.600 -0.023 0.000 2.073 406 M HA -0.085 4.396 4.480 0.001 0.000 0.258 406 M C -0.787 175.405 176.300 -0.180 0.000 1.070 406 M CA 1.987 57.279 55.300 -0.013 0.000 1.103 406 M CB -0.787 31.849 32.600 0.059 0.000 1.321 406 M HN -0.023 nan 8.290 nan 0.000 0.405 407 P HA -0.107 nan 4.420 nan 0.000 0.239 407 P C -0.125 176.648 177.300 -0.879 0.000 1.184 407 P CA 1.305 63.743 63.100 -1.104 0.000 0.760 407 P CB -0.397 30.391 31.700 -1.520 0.000 0.884 408 Y N -1.429 118.787 120.300 -0.139 0.000 2.527 408 Y HA 0.248 4.798 4.550 0.001 0.000 0.247 408 Y C 1.467 177.436 175.900 0.114 0.000 1.138 408 Y CA -0.655 57.415 58.100 -0.049 0.000 1.228 408 Y CB 0.153 38.594 38.460 -0.032 0.000 1.252 408 Y HN -0.244 nan 8.280 nan 0.000 0.531 409 L N 1.855 123.188 121.223 0.183 0.000 2.529 409 L HA -0.065 4.276 4.340 0.001 0.000 0.287 409 L C 0.436 177.468 176.870 0.270 0.000 1.241 409 L CA 0.505 55.458 54.840 0.189 0.000 0.857 409 L CB 0.409 42.550 42.059 0.138 0.000 1.113 409 L HN 0.089 nan 8.230 nan 0.000 0.504 410 K N 2.075 122.593 120.400 0.196 0.000 2.284 410 K HA 0.286 4.607 4.320 0.001 0.000 0.287 410 K C -1.178 175.487 176.600 0.108 0.000 1.081 410 K CA -0.398 55.977 56.287 0.146 0.000 0.910 410 K CB 0.409 32.835 32.500 -0.124 0.000 1.088 410 K HN 0.579 nan 8.250 nan 0.000 0.478 411 C N 7.253 126.642 119.300 0.148 0.000 3.188 411 C HA 0.308 4.769 4.460 0.001 0.000 0.230 411 C C -2.165 172.847 174.990 0.036 0.000 1.239 411 C CA -1.645 57.419 59.018 0.077 0.000 1.494 411 C CB -0.349 27.448 27.740 0.096 0.000 1.798 411 C HN 0.731 nan 8.230 nan 0.000 0.458 412 P HA 0.166 nan 4.420 nan 0.000 0.270 412 P C -0.165 177.057 177.300 -0.129 0.000 1.223 412 P CA 0.155 63.215 63.100 -0.066 0.000 0.785 412 P CB 1.136 32.775 31.700 -0.103 0.000 0.923 413 L N 1.424 122.518 121.223 -0.214 0.000 2.474 413 L HA 0.059 4.399 4.340 0.001 0.000 0.259 413 L C 1.283 177.949 176.870 -0.339 0.000 1.232 413 L CA -0.221 54.373 54.840 -0.410 0.000 0.821 413 L CB -0.570 41.125 42.059 -0.606 0.000 1.108 413 L HN 0.557 nan 8.230 nan 0.000 0.495 414 H N -1.264 117.416 119.070 -0.649 0.000 2.845 414 H HA -0.155 4.401 4.556 0.001 0.000 0.296 414 H C -0.305 175.003 175.328 -0.034 0.000 1.116 414 H CA 0.897 56.499 56.048 -0.742 0.000 1.162 414 H CB -2.334 27.309 29.762 -0.198 0.000 1.338 414 H HN 0.530 nan 8.280 nan 0.000 0.370 415 T N 0.389 114.981 114.554 0.063 0.000 2.807 415 T HA 0.581 4.932 4.350 0.001 0.000 0.279 415 T C 0.445 175.178 174.700 0.055 0.000 0.993 415 T CA -0.650 61.532 62.100 0.138 0.000 0.970 415 T CB 2.712 71.638 68.868 0.098 0.000 0.950 415 T HN -0.013 nan 8.240 nan 0.000 0.441 416 V N 4.562 124.471 119.914 -0.008 0.000 2.427 416 V HA 0.423 4.543 4.120 0.001 0.000 0.286 416 V C -0.169 175.913 176.094 -0.020 0.000 1.034 416 V CA -0.791 61.475 62.300 -0.057 0.000 0.893 416 V CB 1.219 32.846 31.823 -0.326 0.000 0.982 416 V HN 0.715 nan 8.190 nan 0.000 0.452 417 L N 5.295 126.527 121.223 0.016 0.000 2.262 417 L HA 0.512 4.853 4.340 0.001 0.000 0.288 417 L C 0.160 177.016 176.870 -0.025 0.000 1.035 417 L CA -0.303 54.536 54.840 -0.003 0.000 0.820 417 L CB 1.116 43.169 42.059 -0.010 0.000 1.204 417 L HN 0.565 nan 8.230 nan 0.000 0.424 418 K N 5.022 125.402 120.400 -0.033 0.000 2.234 418 K HA 0.554 4.875 4.320 0.001 0.000 0.277 418 K C -1.152 175.319 176.600 -0.215 0.000 1.038 418 K CA -0.485 55.707 56.287 -0.157 0.000 0.888 418 K CB 0.796 33.293 32.500 -0.005 0.000 1.091 418 K HN 0.541 nan 8.250 nan 0.000 0.467 419 L N 4.143 125.161 121.223 -0.342 0.000 2.313 419 L HA 0.437 4.777 4.340 0.001 0.000 0.283 419 L C -0.538 176.163 176.870 -0.282 0.000 1.013 419 L CA -0.736 53.924 54.840 -0.300 0.000 0.816 419 L CB 2.003 43.807 42.059 -0.425 0.000 1.236 419 L HN 0.710 nan 8.230 nan 0.000 0.419 420 T N 0.954 115.399 114.554 -0.182 0.000 2.886 420 T HA 0.430 4.780 4.350 0.001 0.000 0.292 420 T C -2.798 171.850 174.700 -0.087 0.000 1.012 420 T CA -1.836 60.181 62.100 -0.138 0.000 0.982 420 T CB 1.888 70.691 68.868 -0.108 0.000 1.018 420 T HN 0.307 nan 8.240 nan 0.000 0.451 421 P HA 0.269 nan 4.420 nan 0.000 0.270 421 P C -0.859 176.426 177.300 -0.024 0.000 1.242 421 P CA -0.158 62.929 63.100 -0.021 0.000 0.768 421 P CB 0.800 32.495 31.700 -0.009 0.000 0.820 422 V N 3.521 123.426 119.914 -0.014 0.000 2.668 422 V HA 0.572 4.693 4.120 0.001 0.000 0.304 422 V C 0.433 176.508 176.094 -0.031 0.000 1.071 422 V CA 0.504 62.784 62.300 -0.034 0.000 0.894 422 V CB 1.124 32.924 31.823 -0.038 0.000 1.008 422 V HN 0.927 nan 8.190 nan 0.000 0.425 423 A N 6.006 128.773 122.820 -0.089 0.000 5.295 423 A HA -0.320 4.000 4.320 0.001 0.000 0.313 423 A C 0.622 178.129 177.584 -0.128 0.000 1.912 423 A CA 2.082 54.006 52.037 -0.188 0.000 0.714 423 A CB -1.865 17.057 19.000 -0.130 0.000 1.319 423 A HN 1.494 nan 8.150 nan 0.000 0.375 424 Y N 1.118 121.464 120.300 0.076 0.000 2.468 424 Y HA 0.463 5.014 4.550 0.001 0.000 0.268 424 Y C 1.643 177.524 175.900 -0.032 0.000 1.177 424 Y CA 0.562 58.709 58.100 0.079 0.000 1.265 424 Y CB 0.304 38.773 38.460 0.015 0.000 1.103 424 Y HN 1.018 nan 8.280 nan 0.000 0.522 425 G N -1.405 107.459 108.800 0.107 0.000 2.933 425 G HA2 0.373 4.334 3.960 0.001 0.000 0.203 425 G HA3 0.373 4.334 3.960 0.001 0.000 0.203 425 G C -1.745 173.164 174.900 0.016 0.000 1.170 425 G CA -0.418 44.695 45.100 0.022 0.000 0.880 425 G HN -0.039 nan 8.290 nan 0.000 0.573 426 C N 0.516 119.814 119.300 -0.004 0.000 2.408 426 C HA 0.777 5.238 4.460 0.001 0.000 0.321 426 C C 0.393 175.365 174.990 -0.029 0.000 1.245 426 C CA -0.660 58.348 59.018 -0.017 0.000 1.523 426 C CB 0.945 28.682 27.740 -0.006 0.000 2.178 426 C HN 0.683 nan 8.230 nan 0.000 0.488 427 R N 2.150 122.623 120.500 -0.046 0.000 2.349 427 R HA 0.687 5.028 4.340 0.001 0.000 0.299 427 R C -1.130 175.133 176.300 -0.061 0.000 1.027 427 R CA -0.137 55.937 56.100 -0.044 0.000 0.958 427 R CB 1.215 31.489 30.300 -0.043 0.000 1.047 427 R HN 0.608 nan 8.270 nan 0.000 0.468 428 V N 3.984 123.871 119.914 -0.045 0.000 2.555 428 V HA 0.425 4.545 4.120 0.001 0.000 0.302 428 V C -1.115 174.961 176.094 -0.030 0.000 1.038 428 V CA -0.467 61.803 62.300 -0.049 0.000 0.887 428 V CB 1.899 33.702 31.823 -0.034 0.000 0.991 428 V HN 0.919 nan 8.190 nan 0.000 0.434 429 E N 3.613 123.797 120.200 -0.026 0.000 2.248 429 E HA 0.465 4.816 4.350 0.001 0.000 0.267 429 E C -1.265 175.343 176.600 0.014 0.000 0.877 429 E CA -0.467 55.935 56.400 0.003 0.000 0.759 429 E CB 2.164 31.878 29.700 0.023 0.000 1.182 429 E HN 0.632 nan 8.360 nan 0.000 0.418 430 S N 2.617 118.329 115.700 0.021 0.000 2.462 430 S HA 0.550 5.021 4.470 0.001 0.000 0.294 430 S C -0.844 173.781 174.600 0.042 0.000 1.144 430 S CA -0.541 57.672 58.200 0.023 0.000 1.088 430 S CB 0.233 63.442 63.200 0.014 0.000 1.009 430 S HN 0.363 nan 8.310 nan 0.000 0.484 431 I N 5.637 126.219 120.570 0.020 0.000 2.476 431 I HA 0.286 4.456 4.170 0.001 0.000 0.281 431 I C -0.971 175.165 176.117 0.032 0.000 1.040 431 I CA -0.523 60.783 61.300 0.010 0.000 1.094 431 I CB 1.243 39.188 38.000 -0.093 0.000 1.219 431 I HN 0.631 nan 8.210 nan 0.000 0.450 432 Y N 6.251 126.535 120.300 -0.027 0.000 2.359 432 Y HA 0.370 4.921 4.550 0.001 0.000 0.334 432 Y C 0.580 176.494 175.900 0.023 0.000 1.058 432 Y CA -0.615 57.488 58.100 0.006 0.000 1.244 432 Y CB 0.983 39.452 38.460 0.015 0.000 1.187 432 Y HN 0.519 nan 8.280 nan 0.000 0.510 433 L N 5.286 126.311 121.223 -0.329 0.000 2.660 433 L HA 0.002 4.343 4.340 0.001 0.000 0.238 433 L C 0.570 177.146 176.870 -0.489 0.000 1.161 433 L CA 0.347 55.002 54.840 -0.308 0.000 0.937 433 L CB -0.879 41.112 42.059 -0.115 0.000 1.122 433 L HN 0.842 nan 8.230 nan 0.000 0.435 434 N N 0.436 118.509 118.700 -1.045 0.000 2.727 434 N HA -0.175 4.565 4.740 0.001 0.000 0.251 434 N C -1.248 174.061 175.510 -0.335 0.000 1.040 434 N CA 0.321 52.974 53.050 -0.662 0.000 0.712 434 N CB -0.727 37.617 38.487 -0.238 0.000 0.912 434 N HN 0.066 nan 8.380 nan 0.000 0.545 435 V N 0.849 120.581 119.914 -0.304 0.000 2.569 435 V HA 0.313 4.433 4.120 0.001 0.000 0.301 435 V C 0.230 176.505 176.094 0.301 0.000 1.044 435 V CA -1.033 61.268 62.300 0.001 0.000 0.874 435 V CB 1.880 33.638 31.823 -0.110 0.000 1.002 435 V HN 0.148 nan 8.190 nan 0.000 0.424 436 E N 2.509 122.863 120.200 0.256 0.000 2.422 436 E HA 0.466 4.816 4.350 0.001 0.000 0.260 436 E C 0.191 176.957 176.600 0.277 0.000 1.108 436 E CA 0.236 56.796 56.400 0.266 0.000 0.943 436 E CB 1.475 31.270 29.700 0.159 0.000 0.961 436 E HN 0.935 nan 8.360 nan 0.000 0.443 437 S N -1.385 114.399 115.700 0.140 0.000 2.643 437 S HA 0.355 4.826 4.470 0.001 0.000 0.266 437 S C -0.320 174.272 174.600 -0.013 0.000 1.130 437 S CA -0.510 57.698 58.200 0.014 0.000 0.817 437 S CB 0.234 63.252 63.200 -0.304 0.000 1.107 437 S HN 0.328 nan 8.310 nan 0.000 0.471 438 V N -1.234 118.667 119.914 -0.023 0.000 3.385 438 V HA 0.707 4.828 4.120 0.001 0.000 0.301 438 V C 0.665 176.742 176.094 -0.029 0.000 1.082 438 V CA -0.499 61.799 62.300 -0.004 0.000 1.085 438 V CB 0.683 32.520 31.823 0.024 0.000 1.152 438 V HN 1.282 nan 8.190 nan 0.000 0.465 439 C N 2.622 121.919 119.300 -0.004 0.000 2.298 439 C HA 0.698 5.158 4.460 0.001 0.000 0.323 439 C C 1.405 176.418 174.990 0.038 0.000 1.284 439 C CA 0.377 59.395 59.018 -0.001 0.000 1.577 439 C CB 0.223 27.962 27.740 -0.002 0.000 2.249 439 C HN 1.199 nan 8.230 nan 0.000 0.497 440 T N 1.099 115.685 114.554 0.053 0.000 3.134 440 T HA 0.164 4.515 4.350 0.001 0.000 0.260 440 T C 0.464 175.206 174.700 0.070 0.000 1.027 440 T CA 0.159 62.308 62.100 0.082 0.000 0.913 440 T CB -0.564 68.367 68.868 0.104 0.000 1.046 440 T HN 0.837 nan 8.240 nan 0.000 0.553 441 H N 2.444 121.514 119.070 -0.000 0.000 2.722 441 H HA 0.386 4.943 4.556 0.001 0.000 0.328 441 H C -0.387 174.928 175.328 -0.023 0.000 1.067 441 H CA -0.071 55.977 56.048 0.000 0.000 1.447 441 H CB 0.588 30.348 29.762 -0.004 0.000 1.469 441 H HN 0.347 nan 8.280 nan 0.000 0.544 442 R N 4.054 124.359 120.500 -0.325 0.000 2.502 442 R HA 0.220 4.561 4.340 0.001 0.000 0.300 442 R C -0.319 175.935 176.300 -0.078 0.000 0.984 442 R CA -0.960 55.050 56.100 -0.150 0.000 0.882 442 R CB 2.110 32.247 30.300 -0.272 0.000 1.180 442 R HN 0.612 nan 8.270 nan 0.000 0.444 443 E N 2.514 122.759 120.200 0.074 0.000 2.351 443 E HA 0.227 4.577 4.350 0.001 0.000 0.255 443 E C 0.253 176.849 176.600 -0.006 0.000 1.188 443 E CA -0.551 55.899 56.400 0.084 0.000 0.940 443 E CB 0.900 30.633 29.700 0.055 0.000 1.094 443 E HN 0.286 nan 8.360 nan 0.000 0.474 444 R N 0.195 120.561 120.500 -0.224 0.000 2.784 444 R HA 0.254 4.595 4.340 0.001 0.000 0.266 444 R C 0.088 176.328 176.300 -0.100 0.000 1.044 444 R CA 0.297 56.261 56.100 -0.227 0.000 1.151 444 R CB 0.364 30.398 30.300 -0.444 0.000 1.037 444 R HN 0.356 nan 8.270 nan 0.000 0.478 454 P HA -0.017 nan 4.420 nan 0.000 0.217 454 P C 1.569 178.870 177.300 0.001 0.000 1.151 454 P CA 1.103 64.204 63.100 0.001 0.000 0.849 454 P CB 0.067 31.767 31.700 0.000 0.000 0.787 455 L N -2.207 119.017 121.223 0.002 0.000 2.313 455 L HA 0.015 4.356 4.340 0.001 0.000 0.214 455 L C 1.958 178.830 176.870 0.003 0.000 1.119 455 L CA 0.739 55.581 54.840 0.002 0.000 0.809 455 L CB -0.577 41.484 42.059 0.002 0.000 0.933 455 L HN 0.021 nan 8.230 nan 0.000 0.449 456 M N 0.907 120.509 119.600 0.003 0.000 2.608 456 M HA 0.093 4.574 4.480 0.001 0.000 0.224 456 M C 0.105 176.407 176.300 0.003 0.000 1.204 456 M CA 0.343 55.645 55.300 0.004 0.000 0.984 456 M CB -0.349 32.254 32.600 0.004 0.000 1.691 456 M HN 0.272 nan 8.290 nan 0.000 0.469 457 R N -0.882 119.620 120.500 0.002 0.000 2.739 457 R HA 0.632 4.973 4.340 0.001 0.000 0.271 457 R C -1.122 175.179 176.300 0.001 0.000 1.010 457 R CA -0.980 55.121 56.100 0.002 0.000 0.897 457 R CB 1.584 31.885 30.300 0.001 0.000 1.236 457 R HN 0.024 nan 8.270 nan 0.000 0.466 458 R N 1.484 121.984 120.500 0.001 0.000 2.531 458 R HA 0.288 4.629 4.340 0.001 0.000 0.273 458 R C -0.533 175.767 176.300 0.001 0.000 1.070 458 R CA -0.678 55.423 56.100 0.001 0.000 1.112 458 R CB 0.343 30.644 30.300 0.001 0.000 1.049 458 R HN 0.742 nan 8.270 nan 0.000 0.508 459 N N 0.884 119.584 118.700 0.000 0.000 2.422 459 N HA -0.183 4.558 4.740 0.001 0.000 0.289 459 N C -1.275 174.235 175.510 -0.000 0.000 1.385 459 N CA 1.112 54.162 53.050 0.000 0.000 0.639 459 N CB -0.403 38.084 38.487 -0.000 0.000 0.914 459 N HN 0.710 nan 8.380 nan 0.000 0.516 460 S N 0.000 115.700 115.700 -0.000 0.000 2.498 460 S HA 0.000 4.471 4.470 0.001 0.000 0.327 460 S CA 0.000 58.200 58.200 -0.000 0.000 1.107 460 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 460 S HN 0.000 nan 8.310 nan 0.000 0.517