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 1ojd_1_A DATA FIRST_RESID 4 DATA SEQUENCE KCDVVVVGGG ISGMAAAKLL HDSGLNVVVL EARDRVGGRT YTLRNQKVKY DATA SEQUENCE VDLGGSYVGP TQNRILRLAK ELGLETYKVN EVERLIHHVK GKSYPFRGPF DATA SEQUENCE PPVWNPITYL DHNNFWRTMD DMGREIPSDA PWKAPLAEEW DNMTMKELLD DATA SEQUENCE KLCWTESAKQ LATLFVNLCV TAETHEVSAL WFLWYVKQCG GTTRIISTTN DATA SEQUENCE GGQERKFVGG SGQVSERIMD LLGDRVKLER PVIYIDQTRE NVLVETLNHE DATA SEQUENCE MYEAKYVISA IPPTLGMKIH FNPPLPMMRN QMITRVPLGS VIKCIVYYKE DATA SEQUENCE PFWRKKDYCG TMIIDGEEAP VAYTLDDTKP EGNYAAIMGF ILAHKARKLA DATA SEQUENCE RLTKEERLKK LCELYAKVLG SLEALEPVHY EEKNWCEEQY SGGCYTTYFP DATA SEQUENCE PGILTQYGRV LRQPVDRIYF AGTETATHWS GYMEGAVEAG ERAAREILHA DATA SEQUENCE MGKIPEDEIW QSEPESVDVP AQPITTTFLE RHLPSVPGLL RLIGLTT 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.648 176.600 0.081 0.000 0.988 4 K CA 0.000 56.325 56.287 0.063 0.000 0.838 4 K CB 0.000 32.532 32.500 0.053 0.000 1.064 5 C N 1.845 121.191 119.300 0.076 0.000 2.679 5 C HA 0.266 4.374 4.460 -0.587 0.000 0.354 5 C C 1.070 176.102 174.990 0.071 0.000 1.067 5 C CA -1.037 58.032 59.018 0.086 0.000 1.317 5 C CB 0.609 28.424 27.740 0.125 0.000 1.843 5 C HN 0.806 nan 8.230 nan 0.000 0.459 6 D N 0.872 121.315 120.400 0.072 0.000 2.106 6 D HA 0.006 4.293 4.640 -0.587 0.000 0.203 6 D C 0.521 176.895 176.300 0.123 0.000 0.977 6 D CA 1.595 55.648 54.000 0.089 0.000 0.844 6 D CB 0.493 41.341 40.800 0.081 0.000 1.002 6 D HN 0.404 nan 8.370 nan 0.000 0.461 7 V N 1.606 121.582 119.914 0.103 0.000 2.540 7 V HA 0.259 4.027 4.120 -0.587 0.000 0.302 7 V C 0.013 176.147 176.094 0.067 0.000 1.035 7 V CA -0.724 61.639 62.300 0.105 0.000 0.873 7 V CB 2.568 34.431 31.823 0.066 0.000 0.992 7 V HN -0.209 nan 8.190 nan 0.000 0.428 8 V N 5.605 125.555 119.914 0.060 0.000 2.383 8 V HA 0.344 4.111 4.120 -0.587 0.000 0.275 8 V C -0.023 176.072 176.094 0.002 0.000 1.036 8 V CA -0.387 61.921 62.300 0.013 0.000 0.889 8 V CB 1.841 33.666 31.823 0.003 0.000 0.985 8 V HN 0.632 nan 8.190 nan 0.000 0.459 9 V N 6.710 126.611 119.914 -0.022 0.000 2.364 9 V HA 0.310 4.077 4.120 -0.587 0.000 0.272 9 V C 0.085 176.159 176.094 -0.033 0.000 1.036 9 V CA -0.450 61.841 62.300 -0.014 0.000 0.880 9 V CB 1.649 33.466 31.823 -0.010 0.000 0.991 9 V HN 0.603 nan 8.190 nan 0.000 0.460 10 V N 4.264 124.173 119.914 -0.008 0.000 2.432 10 V HA 0.834 4.601 4.120 -0.587 0.000 0.275 10 V C 0.669 176.775 176.094 0.020 0.000 1.043 10 V CA 0.366 62.663 62.300 -0.006 0.000 0.925 10 V CB 0.810 32.648 31.823 0.026 0.000 0.985 10 V HN 1.243 nan 8.190 nan 0.000 0.466 11 G N 3.534 112.336 108.800 0.003 0.000 3.448 11 G HA2 0.132 3.740 3.960 -0.587 0.000 0.685 11 G HA3 0.132 3.740 3.960 -0.587 0.000 0.685 11 G C 0.184 175.090 174.900 0.010 0.000 1.151 11 G CA -0.464 44.651 45.100 0.025 0.000 1.023 11 G HN 1.288 nan 8.290 nan 0.000 0.499 12 G N 0.670 109.470 108.800 0.001 0.000 3.609 12 G HA2 0.629 4.237 3.960 -0.587 0.000 0.280 12 G HA3 0.629 4.237 3.960 -0.587 0.000 0.280 12 G C 0.967 175.878 174.900 0.020 0.000 1.155 12 G CA 0.954 46.053 45.100 -0.003 0.000 0.876 12 G HN 1.253 nan 8.290 nan 0.000 0.535 13 G N -0.040 108.784 108.800 0.040 0.000 2.509 13 G HA2 0.356 3.963 3.960 -0.587 0.000 0.269 13 G HA3 0.356 3.963 3.960 -0.587 0.000 0.269 13 G C 1.116 176.043 174.900 0.045 0.000 1.416 13 G CA -0.704 44.429 45.100 0.055 0.000 1.052 13 G HN 0.086 nan 8.290 nan 0.000 0.542 14 I N -0.593 120.008 120.570 0.052 0.000 2.226 14 I HA -0.184 3.634 4.170 -0.587 0.000 0.245 14 I C 3.028 179.172 176.117 0.045 0.000 1.100 14 I CA 1.426 62.751 61.300 0.041 0.000 1.374 14 I CB -0.098 37.931 38.000 0.048 0.000 1.057 14 I HN 0.449 nan 8.210 nan 0.000 0.413 15 S N 0.599 116.337 115.700 0.065 0.000 2.348 15 S HA -0.138 3.980 4.470 -0.587 0.000 0.221 15 S C 2.127 176.758 174.600 0.051 0.000 1.033 15 S CA 1.665 59.907 58.200 0.070 0.000 1.010 15 S CB -0.655 62.605 63.200 0.099 0.000 0.891 15 S HN 0.572 nan 8.310 nan 0.000 0.442 16 G N 1.901 110.730 108.800 0.049 0.000 2.446 16 G HA2 -0.213 3.395 3.960 -0.587 0.000 0.217 16 G HA3 -0.213 3.395 3.960 -0.587 0.000 0.217 16 G C 1.462 176.370 174.900 0.013 0.000 1.168 16 G CA 1.233 46.351 45.100 0.031 0.000 0.771 16 G HN 0.410 nan 8.290 nan 0.000 0.551 17 M N 1.184 120.789 119.600 0.009 0.000 2.077 17 M HA 0.064 4.191 4.480 -0.587 0.000 0.261 17 M C 3.106 179.402 176.300 -0.005 0.000 1.070 17 M CA 1.336 56.632 55.300 -0.007 0.000 1.125 17 M CB -1.567 31.025 32.600 -0.013 0.000 1.339 17 M HN 0.303 nan 8.290 nan 0.000 0.409 18 A N 0.627 123.449 122.820 0.004 0.000 1.927 18 A HA -0.146 3.821 4.320 -0.587 0.000 0.220 18 A C 2.467 180.053 177.584 0.004 0.000 1.185 18 A CA 2.755 54.796 52.037 0.006 0.000 0.639 18 A CB -0.999 18.013 19.000 0.020 0.000 0.820 18 A HN 0.532 nan 8.150 nan 0.000 0.451 19 A N -0.577 122.246 122.820 0.005 0.000 1.854 19 A HA 0.279 4.247 4.320 -0.587 0.000 0.214 19 A C 2.563 180.146 177.584 -0.002 0.000 1.192 19 A CA 1.926 53.961 52.037 -0.004 0.000 0.611 19 A CB -1.222 17.777 19.000 -0.002 0.000 0.832 19 A HN 1.203 nan 8.150 nan 0.000 0.442 20 A N 0.044 122.864 122.820 0.001 0.000 1.927 20 A HA -0.272 3.696 4.320 -0.587 0.000 0.220 20 A C 2.154 179.754 177.584 0.028 0.000 1.185 20 A CA 2.359 54.400 52.037 0.007 0.000 0.639 20 A CB -0.548 18.446 19.000 -0.011 0.000 0.820 20 A HN 0.581 nan 8.150 nan 0.000 0.451 21 K N -0.846 119.560 120.400 0.011 0.000 2.025 21 K HA -0.106 3.862 4.320 -0.587 0.000 0.207 21 K C 1.973 178.611 176.600 0.063 0.000 1.049 21 K CA 1.476 57.781 56.287 0.030 0.000 0.933 21 K CB -0.304 32.196 32.500 -0.002 0.000 0.714 21 K HN 0.360 nan 8.250 nan 0.000 0.438 22 L N 1.436 122.675 121.223 0.027 0.000 2.042 22 L HA -0.166 3.822 4.340 -0.587 0.000 0.210 22 L C 2.024 178.902 176.870 0.013 0.000 1.076 22 L CA 1.408 56.257 54.840 0.013 0.000 0.749 22 L CB -0.173 41.879 42.059 -0.011 0.000 0.893 22 L HN 0.220 nan 8.230 nan 0.000 0.432 23 L N -1.516 119.715 121.223 0.015 0.000 2.027 23 L HA -0.235 3.753 4.340 -0.587 0.000 0.206 23 L C 2.602 179.491 176.870 0.031 0.000 1.074 23 L CA 1.557 56.399 54.840 0.003 0.000 0.745 23 L CB -0.911 41.147 42.059 -0.002 0.000 0.898 23 L HN 0.408 nan 8.230 nan 0.000 0.433 24 H N 0.315 119.373 119.070 -0.020 0.000 2.352 24 H HA -0.216 3.987 4.556 -0.587 0.000 0.299 24 H C 1.760 177.081 175.328 -0.013 0.000 1.097 24 H CA 2.098 58.138 56.048 -0.013 0.000 1.311 24 H CB 0.055 29.811 29.762 -0.010 0.000 1.377 24 H HN 0.220 nan 8.280 nan 0.000 0.504 25 D N -0.594 119.843 120.400 0.062 0.000 2.264 25 D HA -0.067 4.221 4.640 -0.587 0.000 0.208 25 D C 1.330 177.596 176.300 -0.055 0.000 0.966 25 D CA 1.085 55.090 54.000 0.008 0.000 0.864 25 D CB -0.097 40.730 40.800 0.046 0.000 0.933 25 D HN 0.313 nan 8.370 nan 0.000 0.499 26 S N -0.843 114.824 115.700 -0.055 0.000 2.614 26 S HA 0.333 4.450 4.470 -0.587 0.000 0.230 26 S C 1.290 175.845 174.600 -0.076 0.000 0.952 26 S CA 0.294 58.461 58.200 -0.056 0.000 0.949 26 S CB 0.592 63.766 63.200 -0.043 0.000 0.786 26 S HN 0.374 nan 8.310 nan 0.000 0.478 27 G N 1.661 110.386 108.800 -0.125 0.000 2.176 27 G HA2 -0.228 3.379 3.960 -0.587 0.000 0.252 27 G HA3 -0.228 3.379 3.960 -0.587 0.000 0.252 27 G C -0.153 174.691 174.900 -0.094 0.000 1.024 27 G CA -0.109 44.913 45.100 -0.130 0.000 0.755 27 G HN 0.477 nan 8.290 nan 0.000 0.507 28 L N -0.073 121.101 121.223 -0.082 0.000 2.334 28 L HA 0.452 4.440 4.340 -0.587 0.000 0.272 28 L C 0.060 176.925 176.870 -0.009 0.000 1.020 28 L CA -1.206 53.614 54.840 -0.032 0.000 0.812 28 L CB 1.168 43.218 42.059 -0.014 0.000 1.264 28 L HN 0.027 nan 8.230 nan 0.000 0.439 29 N N 2.455 121.166 118.700 0.020 0.000 2.406 29 N HA 0.250 4.637 4.740 -0.587 0.000 0.251 29 N C -0.365 175.186 175.510 0.068 0.000 1.069 29 N CA -0.083 52.998 53.050 0.051 0.000 0.947 29 N CB 1.604 40.119 38.487 0.047 0.000 1.111 29 N HN 0.357 nan 8.380 nan 0.000 0.497 30 V N 0.069 120.037 119.914 0.089 0.000 3.193 30 V HA 0.772 4.539 4.120 -0.587 0.000 0.320 30 V C 0.144 176.272 176.094 0.057 0.000 1.112 30 V CA -0.709 61.633 62.300 0.069 0.000 1.026 30 V CB 1.994 33.856 31.823 0.065 0.000 1.128 30 V HN 0.203 nan 8.190 nan 0.000 0.452 31 V N 0.926 120.854 119.914 0.025 0.000 2.777 31 V HA 0.480 4.248 4.120 -0.587 0.000 0.306 31 V C -0.793 175.264 176.094 -0.062 0.000 1.112 31 V CA -0.378 61.915 62.300 -0.012 0.000 0.917 31 V CB 2.346 34.166 31.823 -0.005 0.000 1.018 31 V HN 0.861 nan 8.190 nan 0.000 0.426 32 V N 6.394 126.263 119.914 -0.074 0.000 2.370 32 V HA 0.510 4.278 4.120 -0.587 0.000 0.283 32 V C -0.267 175.744 176.094 -0.138 0.000 1.023 32 V CA -0.479 61.769 62.300 -0.086 0.000 0.857 32 V CB 1.577 33.367 31.823 -0.056 0.000 0.985 32 V HN 0.607 nan 8.190 nan 0.000 0.443 33 L N 4.599 125.721 121.223 -0.169 0.000 2.280 33 L HA 0.642 4.630 4.340 -0.587 0.000 0.287 33 L C -0.295 176.493 176.870 -0.137 0.000 1.023 33 L CA -0.369 54.346 54.840 -0.208 0.000 0.819 33 L CB 1.597 43.481 42.059 -0.291 0.000 1.212 33 L HN 0.651 nan 8.230 nan 0.000 0.420 34 E N 2.378 122.502 120.200 -0.126 0.000 2.199 34 E HA 0.513 4.510 4.350 -0.587 0.000 0.265 34 E C 0.156 176.654 176.600 -0.170 0.000 0.882 34 E CA -0.340 55.988 56.400 -0.120 0.000 0.759 34 E CB 2.076 31.727 29.700 -0.083 0.000 1.148 34 E HN 0.549 nan 8.360 nan 0.000 0.412 35 A N 5.395 128.056 122.820 -0.266 0.000 1.898 35 A HA -0.011 3.956 4.320 -0.587 0.000 0.216 35 A C 1.222 178.577 177.584 -0.382 0.000 1.181 35 A CA 0.933 52.690 52.037 -0.466 0.000 0.620 35 A CB -0.200 18.181 19.000 -1.033 0.000 0.819 35 A HN 0.593 nan 8.150 nan 0.000 0.442 36 R N -0.006 120.330 120.500 -0.273 0.000 2.649 36 R HA 0.173 4.161 4.340 -0.587 0.000 0.270 36 R C -0.043 176.199 176.300 -0.096 0.000 1.105 36 R CA 0.284 56.296 56.100 -0.146 0.000 1.193 36 R CB 0.160 30.410 30.300 -0.084 0.000 1.120 36 R HN 0.511 nan 8.270 nan 0.000 0.561 37 D N 0.599 120.959 120.400 -0.066 0.000 2.352 37 D HA -0.000 4.287 4.640 -0.587 0.000 0.236 37 D C -0.451 175.831 176.300 -0.030 0.000 1.148 37 D CA -0.123 53.851 54.000 -0.043 0.000 0.844 37 D CB -0.049 40.733 40.800 -0.030 0.000 0.933 37 D HN 0.412 nan 8.370 nan 0.000 0.507 38 R N -1.441 119.039 120.500 -0.034 0.000 2.629 38 R HA 0.537 4.524 4.340 -0.587 0.000 0.266 38 R C -0.464 175.836 176.300 -0.001 0.000 1.051 38 R CA -1.129 54.967 56.100 -0.006 0.000 0.895 38 R CB 0.996 31.295 30.300 -0.001 0.000 1.246 38 R HN -0.100 nan 8.270 nan 0.000 0.459 39 V N -0.769 119.155 119.914 0.017 0.000 3.403 39 V HA 0.858 4.626 4.120 -0.587 0.000 0.305 39 V C 1.056 177.186 176.094 0.060 0.000 1.060 39 V CA 0.653 62.966 62.300 0.022 0.000 1.053 39 V CB 0.689 32.517 31.823 0.009 0.000 1.198 39 V HN 1.188 nan 8.190 nan 0.000 0.447 40 G N -1.004 107.836 108.800 0.067 0.000 2.493 40 G HA2 0.143 3.751 3.960 -0.587 0.000 0.206 40 G HA3 0.143 3.751 3.960 -0.587 0.000 0.206 40 G C 1.747 176.724 174.900 0.128 0.000 1.109 40 G CA 0.911 46.075 45.100 0.106 0.000 0.689 40 G HN 2.669 nan 8.290 nan 0.000 0.516 41 G N 0.498 109.382 108.800 0.141 0.000 2.675 41 G HA2 -0.396 3.212 3.960 -0.587 0.000 0.312 41 G HA3 -0.396 3.212 3.960 -0.587 0.000 0.312 41 G C 0.932 175.983 174.900 0.251 0.000 1.186 41 G CA 1.440 46.643 45.100 0.171 0.000 0.965 41 G HN 1.218 nan 8.290 nan 0.000 0.548 42 R N 1.914 122.475 120.500 0.101 0.000 2.310 42 R HA 0.260 4.247 4.340 -0.587 0.000 0.202 42 R C 0.867 177.082 176.300 -0.142 0.000 0.933 42 R CA 0.973 56.966 56.100 -0.179 0.000 1.054 42 R CB 0.015 30.177 30.300 -0.230 0.000 0.985 42 R HN 0.697 nan 8.270 nan 0.000 0.489 43 T N -2.158 112.455 114.554 0.098 0.000 2.824 43 T HA 0.339 4.336 4.350 -0.587 0.000 0.280 43 T C -0.987 173.935 174.700 0.369 0.000 0.995 43 T CA -0.614 61.596 62.100 0.184 0.000 1.009 43 T CB 1.616 70.560 68.868 0.127 0.000 0.955 43 T HN 0.048 nan 8.240 nan 0.000 0.452 44 Y N 1.494 121.947 120.300 0.254 0.000 2.330 44 Y HA 0.452 4.650 4.550 -0.587 0.000 0.324 44 Y C -1.122 174.888 175.900 0.183 0.000 1.093 44 Y CA -1.115 57.126 58.100 0.235 0.000 1.103 44 Y CB 1.680 40.332 38.460 0.319 0.000 1.183 44 Y HN 0.841 nan 8.280 nan 0.000 0.433 45 T N 8.061 122.604 114.554 -0.018 0.000 2.781 45 T HA 0.341 4.338 4.350 -0.587 0.000 0.305 45 T C -0.635 173.851 174.700 -0.356 0.000 1.001 45 T CA -0.353 61.661 62.100 -0.143 0.000 0.950 45 T CB 0.200 69.065 68.868 -0.005 0.000 0.955 45 T HN 0.573 nan 8.240 nan 0.000 0.471 46 L N 4.906 125.848 121.223 -0.468 0.000 2.367 46 L HA 0.453 4.440 4.340 -0.587 0.000 0.275 46 L C 0.073 176.866 176.870 -0.128 0.000 1.129 46 L CA 0.214 54.824 54.840 -0.382 0.000 0.839 46 L CB 0.272 42.139 42.059 -0.321 0.000 1.133 46 L HN 0.500 nan 8.230 nan 0.000 0.453 47 R N 4.064 124.519 120.500 -0.075 0.000 2.439 47 R HA 0.552 4.539 4.340 -0.587 0.000 0.310 47 R C -1.128 175.151 176.300 -0.036 0.000 0.955 47 R CA -0.677 55.406 56.100 -0.028 0.000 0.853 47 R CB 1.237 31.537 30.300 0.000 0.000 1.171 47 R HN 0.893 nan 8.270 nan 0.000 0.449 48 N N -0.434 118.228 118.700 -0.063 0.000 3.020 48 N HA 0.023 4.410 4.740 -0.587 0.000 0.248 48 N C -0.046 175.402 175.510 -0.103 0.000 1.480 48 N CA -0.826 52.183 53.050 -0.067 0.000 0.874 48 N CB 0.802 39.255 38.487 -0.057 0.000 1.433 48 N HN 0.161 nan 8.380 nan 0.000 0.530 49 Q N -0.448 119.297 119.800 -0.092 0.000 2.172 49 Q HA 0.090 4.078 4.340 -0.587 0.000 0.200 49 Q C 0.535 176.489 176.000 -0.077 0.000 0.964 49 Q CA 0.961 56.724 55.803 -0.067 0.000 0.855 49 Q CB 0.004 28.714 28.738 -0.046 0.000 0.918 49 Q HN 0.521 nan 8.270 nan 0.000 0.444 50 K N -0.014 120.257 120.400 -0.216 0.000 2.366 50 K HA 0.013 3.981 4.320 -0.587 0.000 0.198 50 K C 1.506 177.936 176.600 -0.285 0.000 1.044 50 K CA 0.387 56.474 56.287 -0.333 0.000 0.973 50 K CB 0.499 32.485 32.500 -0.856 0.000 0.767 50 K HN 0.021 nan 8.250 nan 0.000 0.475 51 V N -0.522 119.193 119.914 -0.331 0.000 3.497 51 V HA -0.014 3.754 4.120 -0.587 0.000 0.272 51 V C 1.056 176.739 176.094 -0.684 0.000 1.474 51 V CA 0.458 62.464 62.300 -0.490 0.000 1.025 51 V CB 0.287 31.893 31.823 -0.361 0.000 0.820 51 V HN 0.278 nan 8.190 nan 0.000 0.437 52 K N 0.813 120.863 120.400 -0.583 0.000 10.248 52 K HA -0.305 3.662 4.320 -0.587 0.000 0.479 52 K C 0.098 176.577 176.600 -0.202 0.000 0.461 52 K CA 2.616 58.621 56.287 -0.471 0.000 1.712 52 K CB -1.120 30.889 32.500 -0.818 0.000 0.800 52 K HN 0.640 nan 8.250 nan 0.000 1.182 53 Y N -1.499 118.647 120.300 -0.257 0.000 2.512 53 Y HA 0.766 4.963 4.550 -0.588 0.000 0.348 53 Y C -1.051 174.793 175.900 -0.093 0.000 0.990 53 Y CA -0.970 57.043 58.100 -0.145 0.000 1.033 53 Y CB 2.110 40.512 38.460 -0.097 0.000 1.259 53 Y HN 0.056 nan 8.280 nan 0.000 0.461 54 V N 2.568 122.520 119.914 0.064 0.000 2.808 54 V HA 0.337 4.104 4.120 -0.587 0.000 0.308 54 V C -1.479 174.658 176.094 0.071 0.000 1.099 54 V CA -0.722 61.619 62.300 0.069 0.000 0.920 54 V CB 2.012 33.886 31.823 0.085 0.000 1.014 54 V HN 0.927 nan 8.190 nan 0.000 0.425 55 D N 5.844 126.304 120.400 0.100 0.000 2.336 55 D HA 0.274 4.561 4.640 -0.587 0.000 0.249 55 D C 0.843 177.212 176.300 0.115 0.000 1.213 55 D CA 0.139 54.191 54.000 0.086 0.000 0.870 55 D CB 1.829 42.663 40.800 0.058 0.000 1.076 55 D HN 0.456 nan 8.370 nan 0.000 0.483 56 L N 1.456 122.776 121.223 0.161 0.000 2.529 56 L HA 0.168 4.156 4.340 -0.587 0.000 0.223 56 L C 1.558 178.776 176.870 0.580 0.000 1.113 56 L CA 0.174 55.194 54.840 0.300 0.000 0.861 56 L CB 0.306 42.516 42.059 0.251 0.000 1.012 56 L HN 0.325 nan 8.230 nan 0.000 0.461 57 G N -0.930 108.161 108.800 0.486 0.000 3.247 57 G HA2 0.413 4.021 3.960 -0.587 0.000 0.163 57 G HA3 0.413 4.021 3.960 -0.587 0.000 0.163 57 G C -0.168 174.792 174.900 0.100 0.000 1.206 57 G CA -0.013 45.267 45.100 0.301 0.000 0.918 57 G HN 0.094 nan 8.290 nan 0.000 0.625 58 G N -0.635 108.162 108.800 -0.006 0.000 2.340 58 G HA2 0.390 3.997 3.960 -0.587 0.000 0.245 58 G HA3 0.390 3.997 3.960 -0.587 0.000 0.245 58 G C 0.390 175.296 174.900 0.009 0.000 1.294 58 G CA 0.902 45.993 45.100 -0.014 0.000 0.896 58 G HN 0.727 nan 8.290 nan 0.000 0.522 59 S N 1.268 116.933 115.700 -0.058 0.000 3.624 59 S HA 0.210 4.328 4.470 -0.587 0.000 0.244 59 S C 0.023 174.413 174.600 -0.350 0.000 1.115 59 S CA -0.283 57.779 58.200 -0.230 0.000 0.820 59 S CB -0.139 62.776 63.200 -0.474 0.000 0.964 59 S HN 0.470 nan 8.310 nan 0.000 0.508 60 Y N 2.884 123.149 120.300 -0.058 0.000 2.304 60 Y HA 0.525 4.721 4.550 -0.590 0.000 0.327 60 Y C 0.293 176.063 175.900 -0.217 0.000 1.209 60 Y CA -0.490 57.520 58.100 -0.150 0.000 1.299 60 Y CB 0.858 39.265 38.460 -0.088 0.000 1.249 60 Y HN 0.137 nan 8.280 nan 0.000 0.519 61 V N -0.538 119.243 119.914 -0.222 0.000 2.962 61 V HA 1.088 4.856 4.120 -0.587 0.000 0.313 61 V C -0.290 175.604 176.094 -0.332 0.000 1.099 61 V CA -0.584 61.515 62.300 -0.335 0.000 0.971 61 V CB 1.619 33.172 31.823 -0.450 0.000 1.028 61 V HN 0.955 nan 8.190 nan 0.000 0.430 62 G N 1.004 109.558 108.800 -0.411 0.000 2.766 62 G HA2 0.796 4.403 3.960 -0.587 0.000 0.288 62 G HA3 0.796 4.403 3.960 -0.587 0.000 0.288 62 G C -3.284 171.452 174.900 -0.273 0.000 1.408 62 G CA -1.615 43.293 45.100 -0.319 0.000 0.852 62 G HN 0.721 nan 8.290 nan 0.000 0.487 63 P HA 0.078 nan 4.420 nan 0.000 0.265 63 P C 0.721 177.995 177.300 -0.042 0.000 1.187 63 P CA 1.858 64.909 63.100 -0.081 0.000 0.766 63 P CB 0.999 32.677 31.700 -0.037 0.000 0.820 64 T N -1.349 113.218 114.554 0.022 0.000 7.013 64 T HA -0.246 3.752 4.350 -0.587 0.000 0.288 64 T C 0.329 175.097 174.700 0.114 0.000 2.146 64 T CA 1.091 63.288 62.100 0.163 0.000 3.498 64 T CB -2.623 66.448 68.868 0.337 0.000 1.517 64 T HN 0.597 nan 8.240 nan 0.000 1.113 65 Q N 1.259 120.943 119.800 -0.194 0.000 3.122 65 Q HA 0.330 4.317 4.340 -0.587 0.000 0.360 65 Q C 1.013 176.944 176.000 -0.115 0.000 1.300 65 Q CA -0.397 55.196 55.803 -0.351 0.000 0.982 65 Q CB 0.116 28.440 28.738 -0.690 0.000 1.534 65 Q HN 0.555 nan 8.270 nan 0.000 0.474 66 N N 0.967 119.674 118.700 0.011 0.000 2.244 66 N HA -0.121 4.267 4.740 -0.587 0.000 0.183 66 N C 1.352 176.887 175.510 0.041 0.000 1.016 66 N CA 0.984 54.052 53.050 0.030 0.000 0.866 66 N CB 0.172 38.692 38.487 0.055 0.000 0.980 66 N HN 0.393 nan 8.380 nan 0.000 0.430 67 R N 0.542 121.078 120.500 0.060 0.000 2.062 67 R HA -0.026 3.962 4.340 -0.587 0.000 0.231 67 R C 2.153 178.485 176.300 0.053 0.000 1.136 67 R CA 0.832 56.970 56.100 0.063 0.000 0.948 67 R CB -0.457 29.896 30.300 0.088 0.000 0.845 67 R HN 0.118 nan 8.270 nan 0.000 0.430 68 I N 1.295 121.895 120.570 0.051 0.000 2.286 68 I HA -0.202 3.615 4.170 -0.587 0.000 0.248 68 I C 1.911 178.105 176.117 0.129 0.000 1.115 68 I CA 1.323 62.672 61.300 0.081 0.000 1.392 68 I CB -0.122 37.937 38.000 0.098 0.000 1.065 68 I HN 0.115 nan 8.210 nan 0.000 0.418 69 L N 0.264 121.548 121.223 0.102 0.000 2.012 69 L HA -0.248 3.739 4.340 -0.587 0.000 0.210 69 L C 2.811 179.736 176.870 0.090 0.000 1.073 69 L CA 1.879 56.791 54.840 0.119 0.000 0.748 69 L CB -0.760 41.319 42.059 0.034 0.000 0.891 69 L HN 0.293 nan 8.230 nan 0.000 0.431 70 R N 0.429 120.961 120.500 0.054 0.000 2.073 70 R HA -0.219 3.769 4.340 -0.587 0.000 0.234 70 R C 2.362 178.676 176.300 0.022 0.000 1.134 70 R CA 1.841 57.963 56.100 0.036 0.000 0.952 70 R CB -0.458 29.860 30.300 0.031 0.000 0.850 70 R HN 0.247 nan 8.270 nan 0.000 0.433 71 L N 1.032 122.265 121.223 0.016 0.000 2.083 71 L HA -0.048 3.939 4.340 -0.587 0.000 0.209 71 L C 2.294 179.135 176.870 -0.047 0.000 1.083 71 L CA 2.126 56.960 54.840 -0.011 0.000 0.752 71 L CB -0.621 41.432 42.059 -0.010 0.000 0.899 71 L HN 0.268 nan 8.230 nan 0.000 0.433 72 A N -0.402 122.384 122.820 -0.057 0.000 1.898 72 A HA -0.235 3.732 4.320 -0.587 0.000 0.216 72 A C 2.436 179.974 177.584 -0.077 0.000 1.181 72 A CA 1.833 53.773 52.037 -0.162 0.000 0.620 72 A CB -0.606 18.241 19.000 -0.254 0.000 0.819 72 A HN 0.524 nan 8.150 nan 0.000 0.442 73 K N -0.078 120.324 120.400 0.004 0.000 1.991 73 K HA -0.237 3.731 4.320 -0.587 0.000 0.212 73 K C 2.095 178.690 176.600 -0.007 0.000 1.049 73 K CA 1.862 58.159 56.287 0.016 0.000 0.932 73 K CB -0.284 32.235 32.500 0.032 0.000 0.717 73 K HN 0.568 nan 8.250 nan 0.000 0.441 74 E N 0.452 120.646 120.200 -0.009 0.000 2.171 74 E HA -0.203 3.794 4.350 -0.587 0.000 0.197 74 E C 1.791 178.375 176.600 -0.026 0.000 0.997 74 E CA 1.089 57.481 56.400 -0.012 0.000 0.810 74 E CB -0.047 29.649 29.700 -0.008 0.000 0.738 74 E HN 0.406 nan 8.360 nan 0.000 0.467 75 L N -0.839 120.355 121.223 -0.048 0.000 2.552 75 L HA 0.094 4.081 4.340 -0.587 0.000 0.227 75 L C 1.511 178.343 176.870 -0.063 0.000 1.146 75 L CA 0.618 55.420 54.840 -0.064 0.000 0.858 75 L CB 0.262 42.261 42.059 -0.099 0.000 0.969 75 L HN 0.478 nan 8.230 nan 0.000 0.451 76 G N -0.635 108.136 108.800 -0.048 0.000 2.184 76 G HA2 -0.202 3.406 3.960 -0.587 0.000 0.206 76 G HA3 -0.202 3.406 3.960 -0.587 0.000 0.206 76 G C 0.188 175.068 174.900 -0.033 0.000 0.995 76 G CA -0.453 44.626 45.100 -0.036 0.000 0.651 76 G HN 0.139 nan 8.290 nan 0.000 0.511 77 L N 0.263 121.455 121.223 -0.053 0.000 2.421 77 L HA 0.758 4.746 4.340 -0.587 0.000 0.263 77 L C 0.570 177.482 176.870 0.069 0.000 1.122 77 L CA -0.546 54.272 54.840 -0.036 0.000 0.804 77 L CB 1.152 43.102 42.059 -0.183 0.000 1.150 77 L HN 0.147 nan 8.230 nan 0.000 0.457 78 E N -0.283 119.997 120.200 0.134 0.000 2.312 78 E HA 0.431 4.429 4.350 -0.587 0.000 0.267 78 E C -1.088 175.659 176.600 0.245 0.000 0.894 78 E CA -0.589 55.909 56.400 0.164 0.000 0.773 78 E CB 2.556 32.322 29.700 0.110 0.000 1.241 78 E HN 0.693 nan 8.360 nan 0.000 0.432 79 T N -1.027 113.626 114.554 0.164 0.000 2.948 79 T HA 0.634 4.632 4.350 -0.587 0.000 0.285 79 T C -0.741 174.045 174.700 0.143 0.000 1.019 79 T CA -0.710 61.430 62.100 0.068 0.000 1.013 79 T CB 0.768 69.556 68.868 -0.132 0.000 1.117 79 T HN 0.491 nan 8.240 nan 0.000 0.533 80 Y N -1.566 118.725 120.300 -0.015 0.000 2.553 80 Y HA 0.710 4.908 4.550 -0.587 0.000 0.347 80 Y C -0.760 175.138 175.900 -0.003 0.000 1.019 80 Y CA -1.559 56.545 58.100 0.008 0.000 1.032 80 Y CB 1.381 39.865 38.460 0.041 0.000 1.284 80 Y HN 0.607 nan 8.280 nan 0.000 0.466 81 K N 2.634 123.088 120.400 0.091 0.000 2.339 81 K HA 0.361 4.328 4.320 -0.587 0.000 0.286 81 K C -0.612 176.003 176.600 0.025 0.000 1.050 81 K CA -0.611 55.671 56.287 -0.009 0.000 0.956 81 K CB 1.294 33.816 32.500 0.037 0.000 0.990 81 K HN 0.570 nan 8.250 nan 0.000 0.475 82 V N 3.135 123.002 119.914 -0.078 0.000 2.788 82 V HA -0.126 3.641 4.120 -0.587 0.000 0.307 82 V C 0.614 176.748 176.094 0.067 0.000 1.069 82 V CA -0.071 62.244 62.300 0.024 0.000 1.173 82 V CB 0.306 32.146 31.823 0.028 0.000 0.925 82 V HN 0.739 nan 8.190 nan 0.000 0.492 83 N N 3.328 122.093 118.700 0.108 0.000 2.416 83 N HA 0.053 4.440 4.740 -0.587 0.000 0.265 83 N C 0.266 175.797 175.510 0.035 0.000 1.195 83 N CA 0.357 53.460 53.050 0.088 0.000 0.943 83 N CB 0.314 38.879 38.487 0.129 0.000 1.115 83 N HN 0.793 nan 8.380 nan 0.000 0.481 84 E N 2.865 123.076 120.200 0.018 0.000 2.968 84 E HA 0.103 4.100 4.350 -0.587 0.000 0.202 84 E C 0.520 177.118 176.600 -0.003 0.000 0.979 84 E CA -0.062 56.332 56.400 -0.011 0.000 1.192 84 E CB 0.332 30.012 29.700 -0.033 0.000 1.059 84 E HN 0.487 nan 8.360 nan 0.000 0.470 85 V N 0.296 120.221 119.914 0.018 0.000 2.307 85 V HA -0.181 3.587 4.120 -0.587 0.000 0.245 85 V C 1.087 177.189 176.094 0.013 0.000 1.045 85 V CA 1.538 63.848 62.300 0.016 0.000 1.024 85 V CB -0.301 31.535 31.823 0.021 0.000 0.651 85 V HN 0.219 nan 8.190 nan 0.000 0.449 86 E N -0.496 119.719 120.200 0.025 0.000 4.034 86 E HA 0.403 4.401 4.350 -0.587 0.000 0.297 86 E C 0.271 176.881 176.600 0.016 0.000 1.372 86 E CA -0.589 55.831 56.400 0.035 0.000 1.555 86 E CB 0.218 29.957 29.700 0.066 0.000 1.488 86 E HN 0.303 nan 8.360 nan 0.000 0.782 87 R N 0.348 120.881 120.500 0.055 0.000 2.457 87 R HA 0.409 4.397 4.340 -0.587 0.000 0.284 87 R C -0.323 175.900 176.300 -0.128 0.000 1.024 87 R CA -0.486 55.608 56.100 -0.011 0.000 1.025 87 R CB 0.443 30.804 30.300 0.101 0.000 1.063 87 R HN 0.302 nan 8.270 nan 0.000 0.493 88 L N 2.371 123.339 121.223 -0.423 0.000 2.439 88 L HA 0.520 4.507 4.340 -0.587 0.000 0.259 88 L C 0.105 176.667 176.870 -0.513 0.000 1.129 88 L CA -0.726 53.762 54.840 -0.585 0.000 0.803 88 L CB 0.452 41.961 42.059 -0.917 0.000 1.161 88 L HN 0.465 nan 8.230 nan 0.000 0.462 89 I N 0.173 120.595 120.570 -0.247 0.000 2.436 89 I HA 0.228 4.045 4.170 -0.587 0.000 0.289 89 I C -0.668 175.690 176.117 0.402 0.000 1.010 89 I CA -0.517 60.797 61.300 0.024 0.000 1.098 89 I CB 1.620 39.510 38.000 -0.184 0.000 1.266 89 I HN 0.506 nan 8.210 nan 0.000 0.434 90 H N 5.457 124.845 119.070 0.530 0.000 2.594 90 H HA 0.307 4.510 4.556 -0.588 0.000 0.304 90 H C -1.095 174.461 175.328 0.379 0.000 1.068 90 H CA -0.349 55.956 56.048 0.429 0.000 1.308 90 H CB 0.397 30.337 29.762 0.297 0.000 1.409 90 H HN 0.486 nan 8.280 nan 0.000 0.460 91 H N 4.419 123.549 119.070 0.099 0.000 2.623 91 H HA 0.519 4.723 4.556 -0.588 0.000 0.299 91 H C -1.354 173.929 175.328 -0.075 0.000 1.052 91 H CA -0.520 55.534 56.048 0.010 0.000 1.231 91 H CB 0.244 30.027 29.762 0.035 0.000 1.389 91 H HN 0.396 nan 8.280 nan 0.000 0.469 92 V N 5.977 125.693 119.914 -0.330 0.000 2.709 92 V HA 0.243 4.010 4.120 -0.587 0.000 0.308 92 V C -0.543 175.471 176.094 -0.134 0.000 1.062 92 V CA -0.919 61.244 62.300 -0.228 0.000 0.901 92 V CB 1.421 33.063 31.823 -0.302 0.000 1.003 92 V HN 1.037 nan 8.190 nan 0.000 0.425 93 K N 4.785 125.129 120.400 -0.093 0.000 3.278 93 K HA -0.228 3.740 4.320 -0.587 0.000 0.270 93 K C 0.933 177.483 176.600 -0.084 0.000 0.955 93 K CA 0.787 57.048 56.287 -0.043 0.000 0.723 93 K CB -1.508 30.997 32.500 0.008 0.000 1.382 93 K HN 1.733 nan 8.250 nan 0.000 0.461 94 G N -0.455 108.236 108.800 -0.182 0.000 2.179 94 G HA2 -0.333 3.274 3.960 -0.587 0.000 0.260 94 G HA3 -0.333 3.274 3.960 -0.587 0.000 0.260 94 G C -0.045 174.711 174.900 -0.240 0.000 0.977 94 G CA 0.905 45.930 45.100 -0.125 0.000 0.641 94 G HN 0.360 nan 8.290 nan 0.000 0.533 95 K N -0.094 120.003 120.400 -0.504 0.000 2.435 95 K HA 0.615 4.582 4.320 -0.587 0.000 0.251 95 K C -0.822 175.455 176.600 -0.538 0.000 0.954 95 K CA -0.569 55.480 56.287 -0.396 0.000 0.820 95 K CB 1.860 34.149 32.500 -0.353 0.000 1.292 95 K HN 0.072 nan 8.250 nan 0.000 0.436 96 S N 1.670 117.164 115.700 -0.342 0.000 2.433 96 S HA 0.417 4.535 4.470 -0.587 0.000 0.310 96 S C -1.351 173.016 174.600 -0.389 0.000 1.097 96 S CA -0.572 57.521 58.200 -0.179 0.000 1.103 96 S CB 0.209 63.422 63.200 0.022 0.000 0.992 96 S HN 0.318 nan 8.310 nan 0.000 0.469 97 Y N 2.637 123.017 120.300 0.134 0.000 2.345 97 Y HA 0.414 4.611 4.550 -0.588 0.000 0.331 97 Y C -2.521 173.553 175.900 0.290 0.000 0.959 97 Y CA -2.664 55.555 58.100 0.199 0.000 1.204 97 Y CB 0.634 39.215 38.460 0.202 0.000 1.135 97 Y HN 0.434 nan 8.280 nan 0.000 0.477 98 P HA 0.343 nan 4.420 nan 0.000 0.274 98 P C -0.910 176.642 177.300 0.421 0.000 1.231 98 P CA -0.181 63.091 63.100 0.287 0.000 0.790 98 P CB 0.748 32.605 31.700 0.262 0.000 0.951 99 F N -1.721 118.322 119.950 0.154 0.000 2.817 99 F HA 0.672 4.846 4.527 -0.588 0.000 0.317 99 F C -1.252 174.604 175.800 0.093 0.000 1.168 99 F CA -1.204 56.874 58.000 0.130 0.000 0.911 99 F CB 1.167 40.240 39.000 0.123 0.000 1.337 99 F HN 0.039 nan 8.300 nan 0.000 0.464 100 R N 0.747 121.397 120.500 0.251 0.000 2.912 100 R HA 0.763 4.750 4.340 -0.587 0.000 0.262 100 R C -0.189 176.261 176.300 0.251 0.000 1.057 100 R CA -0.726 55.441 56.100 0.111 0.000 0.981 100 R CB 1.503 31.856 30.300 0.088 0.000 1.201 100 R HN 1.547 nan 8.270 nan 0.000 0.484 101 G N 0.863 109.742 108.800 0.132 0.000 2.855 101 G HA2 -0.201 3.406 3.960 -0.587 0.000 0.352 101 G HA3 -0.201 3.406 3.960 -0.587 0.000 0.352 101 G C -2.136 172.859 174.900 0.158 0.000 1.415 101 G CA -0.640 44.540 45.100 0.134 0.000 0.871 101 G HN 0.417 nan 8.290 nan 0.000 0.543 102 P HA 0.203 nan 4.420 nan 0.000 0.220 102 P C 0.482 177.614 177.300 -0.280 0.000 1.152 102 P CA 0.950 63.933 63.100 -0.195 0.000 0.812 102 P CB 0.152 31.562 31.700 -0.485 0.000 0.792 103 F N 0.021 119.935 119.950 -0.060 0.000 2.458 103 F HA 0.417 4.592 4.527 -0.588 0.000 0.336 103 F C -2.138 173.413 175.800 -0.416 0.000 1.114 103 F CA -2.984 54.878 58.000 -0.230 0.000 0.987 103 F CB 0.741 39.564 39.000 -0.295 0.000 1.130 103 F HN -0.303 nan 8.300 nan 0.000 0.458 104 P HA 0.135 nan 4.420 nan 0.000 0.271 104 P C -2.480 174.483 177.300 -0.563 0.000 1.216 104 P CA -0.966 61.352 63.100 -1.302 0.000 0.771 104 P CB -0.033 30.957 31.700 -1.183 0.000 0.864 105 P HA 0.193 nan 4.420 nan 0.000 0.281 105 P C -1.091 175.961 177.300 -0.413 0.000 1.249 105 P CA -0.227 62.638 63.100 -0.391 0.000 0.810 105 P CB 1.068 32.515 31.700 -0.422 0.000 1.008 106 V N 2.781 122.422 119.914 -0.454 0.000 2.656 106 V HA 0.399 4.167 4.120 -0.587 0.000 0.307 106 V C -0.433 175.429 176.094 -0.386 0.000 1.051 106 V CA -0.534 61.550 62.300 -0.360 0.000 0.893 106 V CB 1.867 33.459 31.823 -0.385 0.000 0.999 106 V HN 0.631 nan 8.190 nan 0.000 0.426 107 W N 2.552 123.789 121.300 -0.104 0.000 2.699 107 W HA 0.310 4.618 4.660 -0.587 0.000 0.267 107 W C 1.308 177.783 176.519 -0.074 0.000 1.182 107 W CA 0.040 57.325 57.345 -0.100 0.000 1.453 107 W CB 0.246 29.653 29.460 -0.088 0.000 1.054 107 W HN 0.628 nan 8.180 nan 0.000 0.595 108 N N 2.033 120.839 118.700 0.177 0.000 2.359 108 N HA -0.062 4.326 4.740 -0.587 0.000 0.261 108 N C -1.825 173.753 175.510 0.113 0.000 1.267 108 N CA -0.227 52.894 53.050 0.118 0.000 0.864 108 N CB 1.291 39.828 38.487 0.082 0.000 1.063 108 N HN -0.098 nan 8.380 nan 0.000 0.474 109 P HA -0.059 nan 4.420 nan 0.000 0.217 109 P C 1.591 178.974 177.300 0.139 0.000 1.151 109 P CA 0.604 63.776 63.100 0.119 0.000 0.828 109 P CB 0.386 32.136 31.700 0.083 0.000 0.788 110 I N -0.284 120.344 120.570 0.096 0.000 2.090 110 I HA -0.198 3.620 4.170 -0.587 0.000 0.236 110 I C 2.023 178.196 176.117 0.093 0.000 1.064 110 I CA 1.966 63.312 61.300 0.077 0.000 1.324 110 I CB -2.067 35.972 38.000 0.065 0.000 1.044 110 I HN 0.016 nan 8.210 nan 0.000 0.399 111 T N 0.626 115.242 114.554 0.102 0.000 2.680 111 T HA -0.308 3.689 4.350 -0.587 0.000 0.268 111 T C 1.845 176.612 174.700 0.112 0.000 1.033 111 T CA 2.079 64.250 62.100 0.118 0.000 1.152 111 T CB -0.841 68.072 68.868 0.074 0.000 0.859 111 T HN 0.399 nan 8.240 nan 0.000 0.452 112 Y N 1.430 121.706 120.300 -0.040 0.000 2.165 112 Y HA -0.130 4.068 4.550 -0.587 0.000 0.286 112 Y C 2.100 178.001 175.900 0.001 0.000 1.155 112 Y CA 1.177 59.235 58.100 -0.070 0.000 1.164 112 Y CB -0.353 38.052 38.460 -0.091 0.000 0.978 112 Y HN 0.137 nan 8.280 nan 0.000 0.513 113 L N -0.111 121.097 121.223 -0.025 0.000 2.017 113 L HA -0.230 3.758 4.340 -0.587 0.000 0.208 113 L C 2.203 178.999 176.870 -0.123 0.000 1.073 113 L CA 1.770 56.538 54.840 -0.121 0.000 0.745 113 L CB -0.653 41.385 42.059 -0.036 0.000 0.894 113 L HN 0.241 nan 8.230 nan 0.000 0.432 114 D N -0.870 119.517 120.400 -0.022 0.000 2.097 114 D HA -0.219 4.069 4.640 -0.587 0.000 0.195 114 D C 2.165 178.480 176.300 0.025 0.000 0.989 114 D CA 1.393 55.407 54.000 0.023 0.000 0.827 114 D CB 0.029 40.888 40.800 0.100 0.000 0.966 114 D HN 0.303 nan 8.370 nan 0.000 0.456 115 H N -0.358 118.653 119.070 -0.097 0.000 2.293 115 H HA -0.118 4.086 4.556 -0.586 0.000 0.300 115 H C 2.158 177.451 175.328 -0.059 0.000 1.082 115 H CA 1.325 57.331 56.048 -0.070 0.000 1.308 115 H CB -0.181 29.562 29.762 -0.033 0.000 1.375 115 H HN 0.299 nan 8.280 nan 0.000 0.495 116 N N 1.072 119.701 118.700 -0.119 0.000 2.166 116 N HA -0.170 4.218 4.740 -0.587 0.000 0.186 116 N C 1.772 177.206 175.510 -0.127 0.000 1.019 116 N CA 0.816 53.737 53.050 -0.215 0.000 0.856 116 N CB -0.214 37.946 38.487 -0.545 0.000 0.993 116 N HN 0.397 nan 8.380 nan 0.000 0.426 117 N N 0.313 118.941 118.700 -0.121 0.000 2.142 117 N HA -0.189 4.199 4.740 -0.587 0.000 0.186 117 N C 1.884 177.343 175.510 -0.085 0.000 1.023 117 N CA 0.758 53.747 53.050 -0.100 0.000 0.852 117 N CB -0.437 37.997 38.487 -0.088 0.000 0.998 117 N HN 0.259 nan 8.380 nan 0.000 0.424 118 F N 0.820 120.642 119.950 -0.213 0.000 2.043 118 F HA -0.176 3.997 4.527 -0.590 0.000 0.297 118 F C 1.860 177.483 175.800 -0.295 0.000 1.121 118 F CA 1.883 59.697 58.000 -0.311 0.000 1.199 118 F CB -0.978 37.712 39.000 -0.516 0.000 0.968 118 F HN 0.066 nan 8.300 nan 0.000 0.478 119 W N 0.611 121.649 121.300 -0.437 0.000 2.350 119 W HA -0.134 4.173 4.660 -0.589 0.000 0.289 119 W C 2.776 179.030 176.519 -0.441 0.000 1.215 119 W CA 1.283 58.304 57.345 -0.539 0.000 1.236 119 W CB -0.413 28.858 29.460 -0.315 0.000 1.130 119 W HN -0.021 nan 8.180 nan 0.000 0.541 120 R N -0.012 120.405 120.500 -0.137 0.000 2.119 120 R HA -0.065 3.923 4.340 -0.587 0.000 0.222 120 R C 1.571 177.767 176.300 -0.173 0.000 1.088 120 R CA 1.705 57.721 56.100 -0.141 0.000 0.984 120 R CB -0.554 29.660 30.300 -0.144 0.000 0.884 120 R HN 0.053 nan 8.270 nan 0.000 0.447 121 T N 1.425 115.846 114.554 -0.221 0.000 2.942 121 T HA -0.024 3.974 4.350 -0.587 0.000 0.265 121 T C 1.857 176.410 174.700 -0.246 0.000 1.062 121 T CA 0.699 62.679 62.100 -0.199 0.000 1.139 121 T CB 0.016 68.783 68.868 -0.168 0.000 0.883 121 T HN 0.083 nan 8.240 nan 0.000 0.468 122 M N 1.806 121.190 119.600 -0.360 0.000 2.082 122 M HA -0.102 4.026 4.480 -0.587 0.000 0.258 122 M C 1.752 177.936 176.300 -0.194 0.000 1.069 122 M CA 1.502 56.624 55.300 -0.296 0.000 1.102 122 M CB -1.120 31.290 32.600 -0.317 0.000 1.336 122 M HN 0.126 nan 8.290 nan 0.000 0.404 123 D N 0.190 120.491 120.400 -0.165 0.000 2.194 123 D HA -0.098 4.190 4.640 -0.587 0.000 0.204 123 D C 1.647 177.882 176.300 -0.107 0.000 0.964 123 D CA 0.847 54.772 54.000 -0.125 0.000 0.846 123 D CB -0.155 40.581 40.800 -0.106 0.000 0.962 123 D HN 0.265 nan 8.370 nan 0.000 0.490 124 D N 0.136 120.472 120.400 -0.107 0.000 2.078 124 D HA -0.089 4.198 4.640 -0.587 0.000 0.193 124 D C 2.185 178.472 176.300 -0.021 0.000 0.990 124 D CA 0.701 54.662 54.000 -0.065 0.000 0.827 124 D CB -0.257 40.505 40.800 -0.064 0.000 0.975 124 D HN 0.176 nan 8.370 nan 0.000 0.451 125 M N 0.288 119.853 119.600 -0.058 0.000 2.144 125 M HA -0.128 3.999 4.480 -0.587 0.000 0.260 125 M C 2.199 178.510 176.300 0.018 0.000 1.067 125 M CA 1.790 57.057 55.300 -0.055 0.000 1.095 125 M CB -0.427 31.911 32.600 -0.436 0.000 1.365 125 M HN 0.065 nan 8.290 nan 0.000 0.406 126 G N -0.517 108.248 108.800 -0.059 0.000 2.408 126 G HA2 -0.191 3.417 3.960 -0.587 0.000 0.217 126 G HA3 -0.191 3.417 3.960 -0.587 0.000 0.217 126 G C 1.582 176.478 174.900 -0.008 0.000 1.150 126 G CA 0.432 45.504 45.100 -0.047 0.000 0.776 126 G HN 0.378 nan 8.290 nan 0.000 0.542 127 R N -0.223 120.271 120.500 -0.012 0.000 2.241 127 R HA -0.027 3.960 4.340 -0.587 0.000 0.224 127 R C 1.874 178.182 176.300 0.013 0.000 1.101 127 R CA 0.853 56.943 56.100 -0.017 0.000 0.995 127 R CB 0.048 30.332 30.300 -0.026 0.000 0.870 127 R HN 0.208 nan 8.270 nan 0.000 0.463 128 E N -0.285 119.961 120.200 0.077 0.000 2.489 128 E HA 0.126 4.124 4.350 -0.587 0.000 0.193 128 E C -0.458 176.188 176.600 0.077 0.000 1.057 128 E CA 0.326 56.779 56.400 0.089 0.000 0.866 128 E CB 0.415 30.221 29.700 0.177 0.000 0.916 128 E HN 0.209 nan 8.360 nan 0.000 0.500 129 I N 1.611 122.232 120.570 0.085 0.000 2.382 129 I HA 0.302 4.120 4.170 -0.587 0.000 0.286 129 I C -2.364 173.762 176.117 0.016 0.000 1.002 129 I CA -2.605 58.741 61.300 0.076 0.000 1.135 129 I CB 1.863 39.964 38.000 0.169 0.000 1.288 129 I HN -0.231 nan 8.210 nan 0.000 0.448 130 P HA 0.216 nan 4.420 nan 0.000 0.276 130 P C 0.248 177.519 177.300 -0.047 0.000 1.235 130 P CA -0.145 62.898 63.100 -0.095 0.000 0.772 130 P CB 1.160 32.753 31.700 -0.178 0.000 0.871 131 S N 2.119 117.821 115.700 0.003 0.000 2.343 131 S HA -0.209 3.908 4.470 -0.587 0.000 0.219 131 S C 1.462 176.134 174.600 0.120 0.000 1.033 131 S CA 1.578 59.884 58.200 0.177 0.000 1.014 131 S CB -1.068 62.148 63.200 0.027 0.000 0.915 131 S HN 0.543 nan 8.310 nan 0.000 0.435 132 D N 1.651 122.002 120.400 -0.081 0.000 3.866 132 D HA -0.227 4.061 4.640 -0.587 0.000 0.210 132 D C 0.395 176.479 176.300 -0.359 0.000 1.279 132 D CA 2.031 55.904 54.000 -0.212 0.000 0.868 132 D CB -0.139 40.515 40.800 -0.242 0.000 0.938 132 D HN 0.512 nan 8.370 nan 0.000 0.571 133 A N -2.393 120.061 122.820 -0.610 0.000 2.893 133 A HA 0.337 4.304 4.320 -0.587 0.000 0.298 133 A C -2.047 174.716 177.584 -1.369 0.000 1.227 133 A CA -0.684 50.504 52.037 -1.416 0.000 0.845 133 A CB 0.933 19.349 19.000 -0.973 0.000 1.430 133 A HN 0.021 nan 8.150 nan 0.000 0.493 134 P HA -0.167 nan 4.420 nan 0.000 0.219 134 P C 1.093 178.186 177.300 -0.344 0.000 1.146 134 P CA 1.405 64.167 63.100 -0.563 0.000 0.808 134 P CB -0.246 31.079 31.700 -0.625 0.000 0.779 135 W N 0.710 121.945 121.300 -0.107 0.000 2.825 135 W HA 0.173 4.478 4.660 -0.593 0.000 0.243 135 W C 1.296 177.782 176.519 -0.055 0.000 1.293 135 W CA 0.266 57.571 57.345 -0.068 0.000 1.403 135 W CB -1.343 28.071 29.460 -0.076 0.000 1.134 135 W HN -0.120 nan 8.180 nan 0.000 0.666 136 K N 0.852 121.144 120.400 -0.180 0.000 2.417 136 K HA 0.337 4.305 4.320 -0.587 0.000 0.196 136 K C 0.948 177.491 176.600 -0.095 0.000 1.023 136 K CA 0.064 56.302 56.287 -0.081 0.000 1.122 136 K CB 0.027 32.442 32.500 -0.142 0.000 0.850 136 K HN 0.088 nan 8.250 nan 0.000 0.521 137 A N 2.190 124.952 122.820 -0.097 0.000 2.531 137 A HA 0.095 4.063 4.320 -0.587 0.000 0.236 137 A C -1.596 175.896 177.584 -0.153 0.000 1.062 137 A CA -1.019 50.956 52.037 -0.103 0.000 0.760 137 A CB 0.087 19.058 19.000 -0.048 0.000 0.995 137 A HN 0.005 nan 8.150 nan 0.000 0.501 138 P HA -0.153 nan 4.420 nan 0.000 0.216 138 P C 0.565 177.681 177.300 -0.305 0.000 1.154 138 P CA 1.299 64.274 63.100 -0.208 0.000 0.865 138 P CB 0.057 31.636 31.700 -0.200 0.000 0.789 139 L N -2.324 118.568 121.223 -0.552 0.000 2.928 139 L HA 0.336 4.324 4.340 -0.587 0.000 0.246 139 L C 1.875 178.436 176.870 -0.515 0.000 1.239 139 L CA -0.263 54.160 54.840 -0.694 0.000 1.035 139 L CB -0.493 40.815 42.059 -1.252 0.000 1.360 139 L HN -0.092 nan 8.230 nan 0.000 0.529 140 A N 0.614 123.291 122.820 -0.239 0.000 1.884 140 A HA -0.242 3.725 4.320 -0.587 0.000 0.219 140 A C 2.182 179.790 177.584 0.040 0.000 1.197 140 A CA 1.842 53.865 52.037 -0.023 0.000 0.637 140 A CB -0.202 18.820 19.000 0.037 0.000 0.827 140 A HN 0.486 nan 8.150 nan 0.000 0.450 141 E N -0.862 119.336 120.200 -0.002 0.000 2.038 141 E HA -0.248 3.749 4.350 -0.587 0.000 0.195 141 E C 2.123 178.761 176.600 0.064 0.000 1.000 141 E CA 1.417 57.838 56.400 0.034 0.000 0.803 141 E CB -0.358 29.344 29.700 0.004 0.000 0.750 141 E HN 0.831 nan 8.360 nan 0.000 0.448 142 E N -0.124 120.085 120.200 0.016 0.000 2.058 142 E HA -0.191 3.807 4.350 -0.587 0.000 0.194 142 E C 1.905 178.660 176.600 0.257 0.000 0.997 142 E CA 1.066 57.516 56.400 0.083 0.000 0.801 142 E CB -0.014 29.692 29.700 0.009 0.000 0.746 142 E HN 0.267 nan 8.360 nan 0.000 0.450 143 W N 1.070 122.411 121.300 0.068 0.000 2.381 143 W HA -0.081 4.225 4.660 -0.590 0.000 0.301 143 W C 2.033 178.619 176.519 0.112 0.000 1.205 143 W CA 1.005 58.401 57.345 0.086 0.000 1.285 143 W CB -1.117 28.394 29.460 0.085 0.000 1.133 143 W HN 0.227 nan 8.180 nan 0.000 0.521 144 D N -0.428 120.176 120.400 0.341 0.000 2.269 144 D HA -0.139 4.149 4.640 -0.587 0.000 0.208 144 D C 1.342 177.767 176.300 0.208 0.000 0.963 144 D CA 0.951 55.111 54.000 0.266 0.000 0.864 144 D CB -0.249 40.687 40.800 0.228 0.000 0.936 144 D HN -0.134 nan 8.370 nan 0.000 0.505 145 N N -0.214 118.594 118.700 0.180 0.000 2.449 145 N HA 0.059 4.447 4.740 -0.587 0.000 0.191 145 N C -0.097 175.491 175.510 0.130 0.000 1.161 145 N CA 0.152 53.283 53.050 0.135 0.000 0.863 145 N CB 0.142 38.692 38.487 0.105 0.000 0.980 145 N HN 0.385 nan 8.380 nan 0.000 0.458 146 M N 0.239 119.933 119.600 0.156 0.000 2.446 146 M HA 0.270 4.397 4.480 -0.587 0.000 0.294 146 M C -0.728 175.648 176.300 0.127 0.000 1.158 146 M CA -0.518 54.861 55.300 0.131 0.000 0.899 146 M CB 1.901 34.588 32.600 0.146 0.000 1.687 146 M HN -0.012 nan 8.290 nan 0.000 0.455 147 T N 0.874 115.484 114.554 0.094 0.000 2.816 147 T HA 0.272 4.269 4.350 -0.587 0.000 0.282 147 T C 1.046 175.776 174.700 0.050 0.000 0.993 147 T CA -0.814 61.337 62.100 0.085 0.000 0.994 147 T CB 0.883 69.794 68.868 0.072 0.000 1.025 147 T HN 0.781 nan 8.240 nan 0.000 0.529 148 M N 0.242 119.850 119.600 0.015 0.000 2.229 148 M HA 0.031 4.158 4.480 -0.587 0.000 0.264 148 M C 2.128 178.387 176.300 -0.068 0.000 1.063 148 M CA 1.515 56.780 55.300 -0.058 0.000 1.114 148 M CB -1.371 31.104 32.600 -0.208 0.000 1.387 148 M HN 0.901 nan 8.290 nan 0.000 0.420 149 K N 0.326 120.698 120.400 -0.046 0.000 2.097 149 K HA -0.125 3.842 4.320 -0.587 0.000 0.205 149 K C 1.789 178.372 176.600 -0.028 0.000 1.050 149 K CA 1.481 57.747 56.287 -0.036 0.000 0.938 149 K CB -0.113 32.396 32.500 0.015 0.000 0.718 149 K HN 0.328 nan 8.250 nan 0.000 0.442 150 E N 0.006 120.202 120.200 -0.006 0.000 2.031 150 E HA -0.176 3.821 4.350 -0.587 0.000 0.193 150 E C 1.904 178.499 176.600 -0.009 0.000 0.994 150 E CA 1.244 57.642 56.400 -0.002 0.000 0.800 150 E CB -0.153 29.561 29.700 0.023 0.000 0.752 150 E HN 0.273 nan 8.360 nan 0.000 0.447 151 L N 1.139 122.358 121.223 -0.005 0.000 2.079 151 L HA -0.179 3.809 4.340 -0.587 0.000 0.210 151 L C 2.007 178.870 176.870 -0.011 0.000 1.081 151 L CA 1.534 56.367 54.840 -0.012 0.000 0.752 151 L CB -0.378 41.661 42.059 -0.035 0.000 0.896 151 L HN 0.145 nan 8.230 nan 0.000 0.433 152 L N -0.931 120.275 121.223 -0.028 0.000 2.056 152 L HA -0.169 3.818 4.340 -0.587 0.000 0.207 152 L C 2.205 179.031 176.870 -0.073 0.000 1.078 152 L CA 1.237 56.045 54.840 -0.053 0.000 0.749 152 L CB -0.831 41.162 42.059 -0.110 0.000 0.901 152 L HN 0.244 nan 8.230 nan 0.000 0.433 153 D N 0.105 120.462 120.400 -0.073 0.000 2.182 153 D HA -0.199 4.089 4.640 -0.587 0.000 0.201 153 D C 2.121 178.357 176.300 -0.105 0.000 0.986 153 D CA 1.199 55.143 54.000 -0.093 0.000 0.847 153 D CB 0.080 40.832 40.800 -0.080 0.000 0.942 153 D HN 0.219 nan 8.370 nan 0.000 0.467 154 K N -0.389 119.975 120.400 -0.061 0.000 2.098 154 K HA -0.009 3.958 4.320 -0.587 0.000 0.203 154 K C 1.816 178.421 176.600 0.009 0.000 1.051 154 K CA 0.224 56.487 56.287 -0.039 0.000 0.957 154 K CB 0.077 32.581 32.500 0.007 0.000 0.738 154 K HN -0.037 nan 8.250 nan 0.000 0.447 155 L N 0.448 121.695 121.223 0.040 0.000 2.341 155 L HA 0.077 4.065 4.340 -0.587 0.000 0.214 155 L C -0.198 176.779 176.870 0.178 0.000 1.115 155 L CA 0.718 55.629 54.840 0.118 0.000 0.820 155 L CB 0.373 42.495 42.059 0.105 0.000 0.944 155 L HN 0.118 nan 8.230 nan 0.000 0.452 156 C N -0.993 118.347 119.300 0.067 0.000 2.264 156 C HA 0.196 4.304 4.460 -0.587 0.000 0.324 156 C C 0.753 175.778 174.990 0.059 0.000 1.267 156 C CA -0.926 58.119 59.018 0.045 0.000 1.618 156 C CB -0.443 27.223 27.740 -0.122 0.000 2.278 156 C HN 0.555 nan 8.230 nan 0.000 0.499 157 W N 1.872 123.140 121.300 -0.052 0.000 2.863 157 W HA 0.111 4.418 4.660 -0.587 0.000 0.258 157 W C 1.416 177.920 176.519 -0.025 0.000 1.298 157 W CA 0.210 57.537 57.345 -0.030 0.000 1.451 157 W CB -0.089 29.362 29.460 -0.015 0.000 1.107 157 W HN 0.646 nan 8.180 nan 0.000 0.641 158 T N -3.130 111.505 114.554 0.134 0.000 2.856 158 T HA 0.283 4.280 4.350 -0.587 0.000 0.283 158 T C 0.842 175.550 174.700 0.014 0.000 1.008 158 T CA -0.641 61.509 62.100 0.083 0.000 0.997 158 T CB 2.548 71.487 68.868 0.118 0.000 0.992 158 T HN -0.197 nan 8.240 nan 0.000 0.454 159 E N 1.340 121.547 120.200 0.011 0.000 2.160 159 E HA -0.149 3.849 4.350 -0.587 0.000 0.195 159 E C 2.204 178.804 176.600 -0.001 0.000 0.991 159 E CA 1.510 57.903 56.400 -0.011 0.000 0.810 159 E CB -0.317 29.383 29.700 -0.000 0.000 0.742 159 E HN 0.809 nan 8.360 nan 0.000 0.466 160 S N 0.377 116.111 115.700 0.057 0.000 2.382 160 S HA -0.115 4.002 4.470 -0.587 0.000 0.228 160 S C 2.055 176.698 174.600 0.072 0.000 1.027 160 S CA 1.364 59.641 58.200 0.129 0.000 0.991 160 S CB 0.024 63.355 63.200 0.219 0.000 0.823 160 S HN 0.250 nan 8.310 nan 0.000 0.469 161 A N 0.979 123.739 122.820 -0.101 0.000 1.935 161 A HA 0.177 4.145 4.320 -0.587 0.000 0.214 161 A C 2.176 179.440 177.584 -0.533 0.000 1.178 161 A CA 1.191 52.890 52.037 -0.564 0.000 0.640 161 A CB -0.583 18.084 19.000 -0.555 0.000 0.825 161 A HN 0.590 nan 8.150 nan 0.000 0.447 162 K N -0.370 119.841 120.400 -0.316 0.000 2.063 162 K HA -0.189 3.779 4.320 -0.587 0.000 0.208 162 K C 2.280 178.734 176.600 -0.244 0.000 1.048 162 K CA 1.696 57.811 56.287 -0.287 0.000 0.928 162 K CB -0.141 32.257 32.500 -0.169 0.000 0.713 162 K HN 0.610 nan 8.250 nan 0.000 0.442 163 Q N 0.074 119.784 119.800 -0.150 0.000 2.046 163 Q HA -0.162 3.825 4.340 -0.587 0.000 0.200 163 Q C 2.129 178.098 176.000 -0.052 0.000 0.975 163 Q CA 1.041 56.806 55.803 -0.063 0.000 0.836 163 Q CB -0.076 28.669 28.738 0.011 0.000 0.896 163 Q HN 0.198 nan 8.270 nan 0.000 0.428 164 L N 0.744 121.916 121.223 -0.086 0.000 2.046 164 L HA -0.125 3.862 4.340 -0.587 0.000 0.208 164 L C 2.169 178.971 176.870 -0.114 0.000 1.077 164 L CA 1.979 56.804 54.840 -0.026 0.000 0.747 164 L CB -0.861 41.195 42.059 -0.004 0.000 0.896 164 L HN 0.124 nan 8.230 nan 0.000 0.432 165 A N -1.783 120.748 122.820 -0.482 0.000 1.877 165 A HA -0.222 3.745 4.320 -0.587 0.000 0.216 165 A C 2.279 179.779 177.584 -0.139 0.000 1.186 165 A CA 2.347 54.040 52.037 -0.573 0.000 0.620 165 A CB -1.208 17.052 19.000 -1.233 0.000 0.822 165 A HN 0.475 nan 8.150 nan 0.000 0.443 166 T N 0.190 114.644 114.554 -0.167 0.000 2.635 166 T HA -0.191 3.806 4.350 -0.587 0.000 0.267 166 T C 1.868 176.554 174.700 -0.022 0.000 1.040 166 T CA 1.572 63.610 62.100 -0.103 0.000 1.156 166 T CB -0.501 68.319 68.868 -0.080 0.000 0.863 166 T HN 0.392 nan 8.240 nan 0.000 0.430 167 L N 0.193 121.449 121.223 0.055 0.000 1.990 167 L HA -0.144 3.843 4.340 -0.587 0.000 0.213 167 L C 2.259 179.242 176.870 0.187 0.000 1.072 167 L CA 1.744 56.661 54.840 0.129 0.000 0.755 167 L CB -0.457 41.713 42.059 0.186 0.000 0.889 167 L HN 0.232 nan 8.230 nan 0.000 0.432 168 F N -0.311 119.698 119.950 0.099 0.000 2.115 168 F HA -0.259 3.922 4.527 -0.578 0.000 0.300 168 F C 2.056 177.963 175.800 0.178 0.000 1.092 168 F CA 2.081 60.202 58.000 0.202 0.000 1.245 168 F CB -0.800 38.404 39.000 0.341 0.000 0.995 168 F HN -0.091 nan 8.300 nan 0.000 0.481 169 V N 0.902 120.683 119.914 -0.222 0.000 2.244 169 V HA -0.324 3.444 4.120 -0.587 0.000 0.244 169 V C 2.072 178.017 176.094 -0.248 0.000 1.042 169 V CA 2.303 64.304 62.300 -0.500 0.000 1.006 169 V CB -1.048 30.345 31.823 -0.716 0.000 0.641 169 V HN 0.376 nan 8.190 nan 0.000 0.446 170 N N 0.252 118.855 118.700 -0.161 0.000 2.069 170 N HA -0.276 4.111 4.740 -0.587 0.000 0.196 170 N C 1.684 177.151 175.510 -0.071 0.000 1.024 170 N CA 1.642 54.629 53.050 -0.104 0.000 0.869 170 N CB -0.285 38.184 38.487 -0.032 0.000 1.035 170 N HN 0.320 nan 8.380 nan 0.000 0.434 171 L N 0.350 121.570 121.223 -0.005 0.000 2.179 171 L HA 0.041 4.029 4.340 -0.587 0.000 0.208 171 L C 1.920 178.836 176.870 0.078 0.000 1.096 171 L CA 1.327 56.185 54.840 0.031 0.000 0.779 171 L CB -0.466 41.620 42.059 0.044 0.000 0.922 171 L HN 0.253 nan 8.230 nan 0.000 0.443 172 C N -1.588 117.752 119.300 0.066 0.000 2.467 172 C HA 0.050 4.157 4.460 -0.587 0.000 0.279 172 C C 2.193 177.301 174.990 0.196 0.000 1.347 172 C CA 0.863 59.986 59.018 0.176 0.000 1.748 172 C CB -0.316 27.488 27.740 0.107 0.000 1.977 172 C HN 0.548 nan 8.230 nan 0.000 0.501 173 V N -2.299 117.630 119.914 0.024 0.000 3.337 173 V HA 0.294 4.062 4.120 -0.587 0.000 0.307 173 V C 0.700 176.675 176.094 -0.199 0.000 1.505 173 V CA 0.816 63.089 62.300 -0.045 0.000 1.072 173 V CB -1.251 30.647 31.823 0.125 0.000 0.929 173 V HN 0.479 nan 8.190 nan 0.000 0.455 174 T N -1.344 113.029 114.554 -0.301 0.000 3.946 174 T HA -0.043 3.954 4.350 -0.587 0.000 0.356 174 T C 0.099 174.631 174.700 -0.280 0.000 0.758 174 T CA 1.325 63.213 62.100 -0.352 0.000 1.911 174 T CB -2.631 65.897 68.868 -0.566 0.000 1.835 174 T HN 2.464 nan 8.240 nan 0.000 0.807 175 A N -0.365 122.276 122.820 -0.297 0.000 2.593 175 A HA 0.753 4.721 4.320 -0.587 0.000 0.290 175 A C -0.524 176.843 177.584 -0.362 0.000 1.126 175 A CA -1.069 50.719 52.037 -0.415 0.000 0.695 175 A CB 1.194 19.735 19.000 -0.765 0.000 1.290 175 A HN 0.336 nan 8.150 nan 0.000 0.414 176 E N 0.323 120.262 120.200 -0.434 0.000 2.349 176 E HA 0.293 4.290 4.350 -0.587 0.000 0.262 176 E C 1.063 177.378 176.600 -0.474 0.000 1.088 176 E CA 0.459 56.581 56.400 -0.463 0.000 0.899 176 E CB 0.952 30.197 29.700 -0.759 0.000 1.044 176 E HN 0.771 nan 8.360 nan 0.000 0.420 177 T N -1.709 112.638 114.554 -0.346 0.000 2.867 177 T HA -0.165 3.832 4.350 -0.587 0.000 0.268 177 T C 1.411 176.001 174.700 -0.184 0.000 1.057 177 T CA 1.380 63.321 62.100 -0.265 0.000 1.136 177 T CB -0.341 68.411 68.868 -0.194 0.000 0.874 177 T HN 0.604 nan 8.240 nan 0.000 0.466 178 H N 0.656 119.664 119.070 -0.104 0.000 2.556 178 H HA 0.260 4.465 4.556 -0.585 0.000 0.268 178 H C 1.326 176.624 175.328 -0.050 0.000 0.996 178 H CA 0.659 56.667 56.048 -0.067 0.000 1.157 178 H CB -0.139 29.585 29.762 -0.063 0.000 1.355 178 H HN 0.490 nan 8.280 nan 0.000 0.597 179 E N 1.279 121.290 120.200 -0.316 0.000 2.276 179 E HA 0.055 4.052 4.350 -0.587 0.000 0.193 179 E C 0.734 177.311 176.600 -0.037 0.000 0.983 179 E CA 0.405 56.694 56.400 -0.185 0.000 0.861 179 E CB 0.886 30.342 29.700 -0.407 0.000 0.817 179 E HN 0.360 nan 8.360 nan 0.000 0.485 180 V N -0.712 119.169 119.914 -0.056 0.000 2.667 180 V HA 0.436 4.204 4.120 -0.587 0.000 0.308 180 V C -0.045 176.176 176.094 0.212 0.000 1.048 180 V CA -1.200 61.170 62.300 0.116 0.000 0.928 180 V CB 1.811 33.738 31.823 0.173 0.000 1.004 180 V HN 0.001 nan 8.190 nan 0.000 0.444 181 S N 3.427 119.321 115.700 0.324 0.000 2.531 181 S HA 0.508 4.626 4.470 -0.587 0.000 0.279 181 S C 1.441 176.273 174.600 0.386 0.000 1.305 181 S CA 0.132 58.528 58.200 0.327 0.000 1.058 181 S CB 1.021 64.434 63.200 0.355 0.000 0.899 181 S HN 1.837 nan 8.310 nan 0.000 0.493 182 A N 4.827 127.805 122.820 0.263 0.000 1.892 182 A HA -0.095 3.873 4.320 -0.587 0.000 0.218 182 A C 2.054 179.788 177.584 0.250 0.000 1.188 182 A CA 1.885 54.048 52.037 0.210 0.000 0.631 182 A CB -1.107 17.944 19.000 0.085 0.000 0.822 182 A HN 1.088 nan 8.150 nan 0.000 0.447 183 L N -1.447 119.966 121.223 0.317 0.000 2.013 183 L HA -0.186 3.802 4.340 -0.587 0.000 0.212 183 L C 2.242 179.320 176.870 0.346 0.000 1.073 183 L CA 2.726 57.780 54.840 0.357 0.000 0.753 183 L CB -0.849 41.441 42.059 0.386 0.000 0.890 183 L HN 0.669 nan 8.230 nan 0.000 0.432 184 W N -0.619 120.822 121.300 0.236 0.000 2.358 184 W HA -0.267 4.094 4.660 -0.499 0.000 0.303 184 W C 2.336 179.086 176.519 0.384 0.000 1.208 184 W CA 1.809 59.307 57.345 0.255 0.000 1.274 184 W CB -0.681 28.897 29.460 0.197 0.000 1.138 184 W HN 0.290 nan 8.180 nan 0.000 0.515 185 F N 0.853 120.855 119.950 0.086 0.000 2.134 185 F HA -0.170 4.000 4.527 -0.596 0.000 0.299 185 F C 2.044 177.724 175.800 -0.201 0.000 1.097 185 F CA 2.147 59.991 58.000 -0.260 0.000 1.264 185 F CB -0.653 38.323 39.000 -0.039 0.000 1.001 185 F HN -0.159 nan 8.300 nan 0.000 0.479 186 L N -1.418 119.775 121.223 -0.050 0.000 2.093 186 L HA -0.190 3.798 4.340 -0.587 0.000 0.208 186 L C 2.256 179.018 176.870 -0.178 0.000 1.085 186 L CA 1.436 56.190 54.840 -0.144 0.000 0.755 186 L CB -0.982 41.018 42.059 -0.098 0.000 0.904 186 L HN 0.423 nan 8.230 nan 0.000 0.435 187 W N 0.120 121.263 121.300 -0.261 0.000 2.333 187 W HA -0.319 3.983 4.660 -0.595 0.000 0.316 187 W C 2.635 178.922 176.519 -0.387 0.000 1.215 187 W CA 1.620 58.801 57.345 -0.273 0.000 1.278 187 W CB -0.700 28.630 29.460 -0.216 0.000 1.154 187 W HN 0.111 nan 8.180 nan 0.000 0.486 188 Y N 0.735 120.535 120.300 -0.834 0.000 2.069 188 Y HA -0.350 3.857 4.550 -0.572 0.000 0.278 188 Y C 2.425 177.755 175.900 -0.951 0.000 1.175 188 Y CA 3.200 60.617 58.100 -1.138 0.000 1.134 188 Y CB -0.954 36.803 38.460 -1.171 0.000 0.965 188 Y HN -0.129 nan 8.280 nan 0.000 0.498 189 V N 0.784 120.240 119.914 -0.763 0.000 2.358 189 V HA -0.300 3.467 4.120 -0.587 0.000 0.246 189 V C 2.267 178.011 176.094 -0.584 0.000 1.047 189 V CA 2.335 64.273 62.300 -0.603 0.000 1.035 189 V CB -0.785 30.771 31.823 -0.444 0.000 0.658 189 V HN 0.474 nan 8.190 nan 0.000 0.452 190 K N 1.938 122.014 120.400 -0.540 0.000 2.148 190 K HA -0.245 3.722 4.320 -0.587 0.000 0.204 190 K C 1.921 178.182 176.600 -0.565 0.000 1.050 190 K CA 1.930 57.946 56.287 -0.452 0.000 0.942 190 K CB -0.453 31.866 32.500 -0.303 0.000 0.724 190 K HN 0.597 nan 8.250 nan 0.000 0.446 191 Q N -0.404 118.909 119.800 -0.811 0.000 2.482 191 Q HA 0.051 4.038 4.340 -0.587 0.000 0.209 191 Q C 1.141 176.551 176.000 -0.983 0.000 0.961 191 Q CA 0.985 56.309 55.803 -0.798 0.000 0.945 191 Q CB -0.261 27.870 28.738 -1.011 0.000 1.012 191 Q HN 0.347 nan 8.270 nan 0.000 0.515 192 C N -0.581 118.016 119.300 -1.172 0.000 2.780 192 C HA 0.602 4.709 4.460 -0.587 0.000 0.267 192 C C 1.504 175.726 174.990 -1.280 0.000 1.266 192 C CA 0.144 58.061 59.018 -1.835 0.000 1.709 192 C CB -0.410 26.205 27.740 -1.874 0.000 1.975 192 C HN 0.790 nan 8.230 nan 0.000 0.582 193 G N -0.052 108.328 108.800 -0.699 0.000 2.147 193 G HA2 0.405 4.013 3.960 -0.587 0.000 0.128 193 G HA3 0.405 4.013 3.960 -0.587 0.000 0.128 193 G C 0.372 175.103 174.900 -0.281 0.000 1.026 193 G CA -0.081 44.789 45.100 -0.383 0.000 0.693 193 G HN 1.534 nan 8.290 nan 0.000 0.499 194 G N -1.512 107.103 108.800 -0.309 0.000 2.757 194 G HA2 0.249 3.856 3.960 -0.587 0.000 0.638 194 G HA3 0.249 3.856 3.960 -0.587 0.000 0.638 194 G C 1.212 176.029 174.900 -0.139 0.000 1.344 194 G CA 0.964 45.944 45.100 -0.198 0.000 0.855 194 G HN 1.883 nan 8.290 nan 0.000 0.537 195 T N -3.028 111.493 114.554 -0.054 0.000 2.652 195 T HA -0.164 3.833 4.350 -0.587 0.000 0.267 195 T C 2.342 176.967 174.700 -0.125 0.000 1.039 195 T CA 3.016 65.106 62.100 -0.017 0.000 1.153 195 T CB -0.905 68.020 68.868 0.095 0.000 0.863 195 T HN 1.024 nan 8.240 nan 0.000 0.428 196 T N 1.178 115.678 114.554 -0.090 0.000 2.684 196 T HA -0.069 3.928 4.350 -0.587 0.000 0.267 196 T C 2.155 176.772 174.700 -0.138 0.000 1.036 196 T CA 1.682 63.706 62.100 -0.126 0.000 1.148 196 T CB -0.362 68.492 68.868 -0.024 0.000 0.863 196 T HN 0.342 nan 8.240 nan 0.000 0.436 197 R N 0.767 121.208 120.500 -0.098 0.000 2.081 197 R HA 0.099 4.087 4.340 -0.587 0.000 0.235 197 R C 2.220 178.517 176.300 -0.005 0.000 1.131 197 R CA 1.313 57.382 56.100 -0.052 0.000 0.960 197 R CB -0.832 29.428 30.300 -0.066 0.000 0.856 197 R HN 0.463 nan 8.270 nan 0.000 0.436 198 I N 0.275 120.813 120.570 -0.054 0.000 2.353 198 I HA -0.162 3.656 4.170 -0.587 0.000 0.248 198 I C 1.741 177.894 176.117 0.060 0.000 1.119 198 I CA 1.227 62.551 61.300 0.040 0.000 1.417 198 I CB 0.049 38.059 38.000 0.016 0.000 1.078 198 I HN 0.351 nan 8.210 nan 0.000 0.421 199 I N -2.682 117.851 120.570 -0.062 0.000 3.226 199 I HA 0.109 3.927 4.170 -0.587 0.000 0.277 199 I C 0.874 176.882 176.117 -0.182 0.000 1.243 199 I CA 0.052 61.264 61.300 -0.147 0.000 1.459 199 I CB -0.171 37.606 38.000 -0.372 0.000 1.093 199 I HN -0.102 nan 8.210 nan 0.000 0.453 200 S N 1.611 117.210 115.700 -0.168 0.000 2.528 200 S HA 0.211 4.329 4.470 -0.587 0.000 0.277 200 S C 1.004 175.552 174.600 -0.086 0.000 1.297 200 S CA -0.225 57.888 58.200 -0.146 0.000 1.052 200 S CB 1.421 64.542 63.200 -0.132 0.000 0.917 200 S HN 0.338 nan 8.310 nan 0.000 0.492 201 T N 2.926 117.434 114.554 -0.076 0.000 2.697 201 T HA -0.011 3.987 4.350 -0.587 0.000 0.244 201 T C 0.780 175.439 174.700 -0.068 0.000 1.090 201 T CA 0.771 62.827 62.100 -0.073 0.000 1.255 201 T CB -0.330 68.499 68.868 -0.065 0.000 0.931 201 T HN 0.579 nan 8.240 nan 0.000 0.406 202 T N 3.311 117.831 114.554 -0.057 0.000 2.871 202 T HA 0.087 4.084 4.350 -0.587 0.000 0.296 202 T C 0.670 175.341 174.700 -0.048 0.000 0.998 202 T CA 0.394 62.466 62.100 -0.046 0.000 1.162 202 T CB -0.233 68.615 68.868 -0.032 0.000 0.947 202 T HN 0.542 nan 8.240 nan 0.000 0.536 203 N N 1.126 119.800 118.700 -0.045 0.000 2.725 203 N HA -0.156 4.232 4.740 -0.587 0.000 0.249 203 N C 0.120 175.607 175.510 -0.039 0.000 1.103 203 N CA 1.320 54.347 53.050 -0.038 0.000 0.707 203 N CB -0.999 37.472 38.487 -0.026 0.000 1.043 203 N HN 0.956 nan 8.380 nan 0.000 0.553 204 G N -2.938 105.831 108.800 -0.051 0.000 2.846 204 G HA2 0.552 4.160 3.960 -0.587 0.000 0.299 204 G HA3 0.552 4.160 3.960 -0.587 0.000 0.299 204 G C 0.891 175.750 174.900 -0.067 0.000 1.242 204 G CA -0.011 45.071 45.100 -0.030 0.000 0.800 204 G HN 0.304 nan 8.290 nan 0.000 0.538 205 G N -0.841 107.943 108.800 -0.027 0.000 2.443 205 G HA2 0.085 3.693 3.960 -0.587 0.000 0.219 205 G HA3 0.085 3.693 3.960 -0.587 0.000 0.219 205 G C 1.105 175.930 174.900 -0.125 0.000 1.131 205 G CA 0.941 45.955 45.100 -0.143 0.000 0.775 205 G HN 0.390 nan 8.290 nan 0.000 0.547 206 Q N -0.200 119.541 119.800 -0.098 0.000 2.211 206 Q HA 0.280 4.267 4.340 -0.587 0.000 0.231 206 Q C 1.529 177.468 176.000 -0.101 0.000 0.865 206 Q CA -0.150 55.562 55.803 -0.152 0.000 0.997 206 Q CB 0.800 29.348 28.738 -0.317 0.000 1.101 206 Q HN 0.618 nan 8.270 nan 0.000 0.468 207 E N 0.766 120.907 120.200 -0.098 0.000 2.077 207 E HA -0.089 3.908 4.350 -0.587 0.000 0.193 207 E C -0.074 176.459 176.600 -0.111 0.000 0.989 207 E CA 0.827 57.169 56.400 -0.097 0.000 0.800 207 E CB 0.436 30.073 29.700 -0.105 0.000 0.746 207 E HN 0.205 nan 8.360 nan 0.000 0.452 208 R N -0.773 119.636 120.500 -0.151 0.000 2.799 208 R HA 0.463 4.450 4.340 -0.587 0.000 0.270 208 R C -0.901 175.169 176.300 -0.383 0.000 1.010 208 R CA -0.834 55.091 56.100 -0.292 0.000 0.916 208 R CB 1.906 32.018 30.300 -0.313 0.000 1.228 208 R HN -0.159 nan 8.270 nan 0.000 0.469 209 K N 0.928 120.938 120.400 -0.650 0.000 2.400 209 K HA 0.430 4.397 4.320 -0.587 0.000 0.246 209 K C -0.959 175.331 176.600 -0.517 0.000 0.995 209 K CA -0.791 55.126 56.287 -0.618 0.000 0.840 209 K CB 1.646 33.830 32.500 -0.527 0.000 1.293 209 K HN 0.251 nan 8.250 nan 0.000 0.445 210 F N 1.010 120.906 119.950 -0.090 0.000 2.410 210 F HA 0.113 4.286 4.527 -0.589 0.000 0.348 210 F C 0.685 176.557 175.800 0.121 0.000 1.106 210 F CA -0.955 57.045 58.000 -0.001 0.000 1.163 210 F CB 1.014 39.990 39.000 -0.041 0.000 1.129 210 F HN 0.027 nan 8.300 nan 0.000 0.516 211 V N 3.781 123.910 119.914 0.358 0.000 2.493 211 V HA 0.193 3.960 4.120 -0.587 0.000 0.292 211 V C 0.949 176.973 176.094 -0.117 0.000 1.016 211 V CA 1.298 63.723 62.300 0.208 0.000 1.097 211 V CB 0.044 31.957 31.823 0.149 0.000 0.947 211 V HN 1.112 nan 8.190 nan 0.000 0.479 212 G N 3.246 111.635 108.800 -0.684 0.000 2.195 212 G HA2 0.153 3.761 3.960 -0.587 0.000 0.246 212 G HA3 0.153 3.761 3.960 -0.587 0.000 0.246 212 G C 0.779 175.185 174.900 -0.823 0.000 0.984 212 G CA -0.062 44.306 45.100 -1.220 0.000 0.633 212 G HN 2.378 nan 8.290 nan 0.000 0.525 213 G N -1.791 106.806 108.800 -0.338 0.000 2.497 213 G HA2 0.427 4.035 3.960 -0.587 0.000 0.686 213 G HA3 0.427 4.035 3.960 -0.587 0.000 0.686 213 G C 0.654 175.575 174.900 0.036 0.000 1.288 213 G CA 0.859 45.934 45.100 -0.042 0.000 0.899 213 G HN 1.851 nan 8.290 nan 0.000 0.608 214 S N -0.856 114.903 115.700 0.098 0.000 2.503 214 S HA 0.287 4.405 4.470 -0.587 0.000 0.215 214 S C 2.430 177.028 174.600 -0.005 0.000 1.003 214 S CA 1.304 59.549 58.200 0.076 0.000 0.910 214 S CB 0.416 63.750 63.200 0.223 0.000 0.790 214 S HN 2.133 nan 8.310 nan 0.000 0.514 215 G N 1.779 110.598 108.800 0.033 0.000 2.475 215 G HA2 -0.234 3.373 3.960 -0.587 0.000 0.220 215 G HA3 -0.234 3.373 3.960 -0.587 0.000 0.220 215 G C 1.436 176.325 174.900 -0.018 0.000 1.125 215 G CA 0.859 45.987 45.100 0.046 0.000 0.755 215 G HN 0.595 nan 8.290 nan 0.000 0.565 216 Q N -0.311 119.446 119.800 -0.073 0.000 2.217 216 Q HA -0.133 3.854 4.340 -0.587 0.000 0.209 216 Q C 2.808 178.724 176.000 -0.140 0.000 0.988 216 Q CA 1.425 57.158 55.803 -0.116 0.000 0.878 216 Q CB -0.280 28.359 28.738 -0.165 0.000 0.909 216 Q HN 0.458 nan 8.270 nan 0.000 0.424 217 V N 0.662 120.467 119.914 -0.182 0.000 2.261 217 V HA -0.279 3.488 4.120 -0.587 0.000 0.246 217 V C 2.222 178.255 176.094 -0.102 0.000 1.047 217 V CA 2.224 64.411 62.300 -0.189 0.000 1.015 217 V CB -0.629 31.064 31.823 -0.216 0.000 0.642 217 V HN 0.423 nan 8.190 nan 0.000 0.446 218 S N -0.889 114.777 115.700 -0.058 0.000 2.436 218 S HA -0.114 4.004 4.470 -0.587 0.000 0.228 218 S C 1.781 176.362 174.600 -0.031 0.000 1.014 218 S CA 0.929 59.111 58.200 -0.031 0.000 0.950 218 S CB -0.242 62.958 63.200 -0.000 0.000 0.784 218 S HN 0.638 nan 8.310 nan 0.000 0.504 219 E N 1.642 121.824 120.200 -0.030 0.000 2.038 219 E HA -0.094 3.904 4.350 -0.587 0.000 0.195 219 E C 2.390 178.965 176.600 -0.043 0.000 1.000 219 E CA 1.100 57.483 56.400 -0.027 0.000 0.803 219 E CB -0.073 29.613 29.700 -0.024 0.000 0.750 219 E HN 0.411 nan 8.360 nan 0.000 0.448 220 R N 0.074 120.539 120.500 -0.060 0.000 2.148 220 R HA -0.077 3.911 4.340 -0.587 0.000 0.227 220 R C 2.340 178.602 176.300 -0.063 0.000 1.103 220 R CA 0.880 56.943 56.100 -0.063 0.000 0.983 220 R CB -0.209 30.045 30.300 -0.078 0.000 0.874 220 R HN 0.283 nan 8.270 nan 0.000 0.451 221 I N 0.623 121.154 120.570 -0.064 0.000 2.315 221 I HA -0.263 3.554 4.170 -0.587 0.000 0.248 221 I C 2.656 178.727 176.117 -0.076 0.000 1.117 221 I CA 1.024 62.283 61.300 -0.069 0.000 1.404 221 I CB -0.195 37.769 38.000 -0.059 0.000 1.071 221 I HN 0.183 nan 8.210 nan 0.000 0.419 222 M N 0.855 120.420 119.600 -0.059 0.000 2.202 222 M HA -0.249 3.879 4.480 -0.587 0.000 0.262 222 M C 1.500 177.764 176.300 -0.060 0.000 1.063 222 M CA 1.915 57.181 55.300 -0.056 0.000 1.097 222 M CB -0.160 32.418 32.600 -0.036 0.000 1.382 222 M HN 0.138 nan 8.290 nan 0.000 0.413 223 D N 0.658 121.024 120.400 -0.056 0.000 2.097 223 D HA -0.103 4.184 4.640 -0.587 0.000 0.197 223 D C 1.997 178.258 176.300 -0.065 0.000 0.984 223 D CA 1.364 55.334 54.000 -0.050 0.000 0.826 223 D CB -0.452 40.323 40.800 -0.041 0.000 0.973 223 D HN 0.422 nan 8.370 nan 0.000 0.460 224 L N 0.248 121.420 121.223 -0.084 0.000 2.353 224 L HA -0.085 3.902 4.340 -0.587 0.000 0.220 224 L C 1.991 178.741 176.870 -0.200 0.000 1.133 224 L CA 0.533 55.306 54.840 -0.113 0.000 0.798 224 L CB -0.151 41.839 42.059 -0.115 0.000 0.922 224 L HN 0.034 nan 8.230 nan 0.000 0.445 225 L N -1.216 119.892 121.223 -0.192 0.000 2.640 225 L HA 0.247 4.235 4.340 -0.587 0.000 0.230 225 L C 1.610 178.413 176.870 -0.111 0.000 1.123 225 L CA 0.141 54.840 54.840 -0.235 0.000 0.900 225 L CB -0.450 41.490 42.059 -0.200 0.000 1.146 225 L HN 0.372 nan 8.230 nan 0.000 0.484 226 G N 2.323 111.081 108.800 -0.070 0.000 2.627 226 G HA2 -0.431 3.177 3.960 -0.587 0.000 0.312 226 G HA3 -0.431 3.177 3.960 -0.587 0.000 0.312 226 G C 0.658 175.545 174.900 -0.021 0.000 1.299 226 G CA 0.563 45.645 45.100 -0.031 0.000 0.989 226 G HN 0.557 nan 8.290 nan 0.000 0.547 227 D N 0.744 121.143 120.400 -0.002 0.000 2.392 227 D HA -0.024 4.264 4.640 -0.587 0.000 0.228 227 D C 2.040 178.348 176.300 0.014 0.000 1.003 227 D CA 0.822 54.827 54.000 0.009 0.000 0.917 227 D CB -0.252 40.559 40.800 0.020 0.000 0.890 227 D HN 0.586 nan 8.370 nan 0.000 0.532 228 R N -0.065 120.436 120.500 0.002 0.000 2.148 228 R HA 0.067 4.055 4.340 -0.587 0.000 0.223 228 R C 0.408 176.702 176.300 -0.010 0.000 1.088 228 R CA 0.249 56.354 56.100 0.008 0.000 0.985 228 R CB 0.309 30.609 30.300 0.000 0.000 0.880 228 R HN 0.059 nan 8.270 nan 0.000 0.451 229 V N 3.110 123.009 119.914 -0.026 0.000 2.432 229 V HA 0.076 3.844 4.120 -0.587 0.000 0.271 229 V C -0.201 175.876 176.094 -0.028 0.000 1.046 229 V CA -0.129 62.149 62.300 -0.037 0.000 0.945 229 V CB 1.371 33.170 31.823 -0.039 0.000 0.992 229 V HN 0.060 nan 8.190 nan 0.000 0.471 230 K N 6.726 127.099 120.400 -0.046 0.000 2.347 230 K HA 0.511 4.478 4.320 -0.587 0.000 0.262 230 K C -0.525 176.046 176.600 -0.048 0.000 1.052 230 K CA -0.318 55.952 56.287 -0.028 0.000 0.946 230 K CB 1.458 33.949 32.500 -0.016 0.000 1.220 230 K HN 0.484 nan 8.250 nan 0.000 0.450 231 L N 1.061 122.264 121.223 -0.034 0.000 2.476 231 L HA 0.099 4.086 4.340 -0.587 0.000 0.255 231 L C 0.888 177.728 176.870 -0.049 0.000 1.218 231 L CA -0.173 54.639 54.840 -0.046 0.000 0.819 231 L CB -0.024 42.015 42.059 -0.033 0.000 1.119 231 L HN 0.701 nan 8.230 nan 0.000 0.485 232 E N -0.099 120.059 120.200 -0.071 0.000 2.440 232 E HA -0.231 3.766 4.350 -0.587 0.000 0.246 232 E C -0.582 175.973 176.600 -0.075 0.000 1.165 232 E CA 0.440 56.796 56.400 -0.074 0.000 0.726 232 E CB -0.495 29.180 29.700 -0.041 0.000 1.271 232 E HN 0.292 nan 8.360 nan 0.000 0.397 233 R N 0.067 120.507 120.500 -0.100 0.000 2.724 233 R HA 0.266 4.254 4.340 -0.587 0.000 0.284 233 R C -2.717 173.506 176.300 -0.129 0.000 1.481 233 R CA -2.067 53.982 56.100 -0.087 0.000 1.652 233 R CB 0.692 30.948 30.300 -0.073 0.000 1.175 233 R HN -0.024 nan 8.270 nan 0.000 0.613 234 P HA 0.051 nan 4.420 nan 0.000 0.276 234 P C -0.191 177.081 177.300 -0.048 0.000 1.253 234 P CA -0.241 62.769 63.100 -0.150 0.000 0.766 234 P CB 0.951 32.574 31.700 -0.128 0.000 0.845 235 V N 5.441 125.336 119.914 -0.032 0.000 2.655 235 V HA -0.006 3.762 4.120 -0.587 0.000 0.300 235 V C 1.720 177.834 176.094 0.033 0.000 1.044 235 V CA 0.707 63.006 62.300 -0.002 0.000 1.095 235 V CB 0.116 31.930 31.823 -0.015 0.000 0.952 235 V HN 0.537 nan 8.190 nan 0.000 0.485 236 I N 1.426 122.024 120.570 0.047 0.000 4.439 236 I HA 0.463 4.281 4.170 -0.587 0.000 0.331 236 I C -0.148 176.045 176.117 0.127 0.000 1.345 236 I CA -0.080 61.269 61.300 0.081 0.000 1.193 236 I CB 0.558 38.587 38.000 0.049 0.000 1.221 236 I HN 0.491 nan 8.210 nan 0.000 0.429 237 Y N 1.708 121.952 120.300 -0.094 0.000 2.390 237 Y HA 0.685 4.882 4.550 -0.588 0.000 0.324 237 Y C -1.902 173.909 175.900 -0.149 0.000 1.151 237 Y CA -1.167 56.859 58.100 -0.123 0.000 1.053 237 Y CB 1.574 39.996 38.460 -0.064 0.000 1.277 237 Y HN -0.007 nan 8.280 nan 0.000 0.432 238 I N 5.755 125.937 120.570 -0.646 0.000 2.406 238 I HA 0.327 4.144 4.170 -0.587 0.000 0.290 238 I C -1.276 174.478 176.117 -0.604 0.000 0.999 238 I CA -0.631 60.385 61.300 -0.472 0.000 1.124 238 I CB 1.719 39.553 38.000 -0.278 0.000 1.289 238 I HN 0.548 nan 8.210 nan 0.000 0.441 239 D N 5.707 125.869 120.400 -0.396 0.000 2.481 239 D HA 0.267 4.554 4.640 -0.587 0.000 0.246 239 D C -0.308 175.954 176.300 -0.064 0.000 1.109 239 D CA -0.231 53.611 54.000 -0.263 0.000 0.845 239 D CB 1.660 42.400 40.800 -0.101 0.000 1.160 239 D HN 0.489 nan 8.370 nan 0.000 0.534 240 Q N 1.892 121.676 119.800 -0.027 0.000 2.179 240 Q HA 0.109 4.097 4.340 -0.587 0.000 0.213 240 Q C 1.012 177.017 176.000 0.007 0.000 0.833 240 Q CA -0.031 55.772 55.803 -0.001 0.000 0.990 240 Q CB 0.845 29.591 28.738 0.014 0.000 1.132 240 Q HN 0.486 nan 8.270 nan 0.000 0.493 241 T N 0.388 114.952 114.554 0.017 0.000 2.746 241 T HA -0.106 3.891 4.350 -0.587 0.000 0.267 241 T C 1.098 175.809 174.700 0.017 0.000 1.039 241 T CA 1.160 63.275 62.100 0.025 0.000 1.142 241 T CB 0.100 68.993 68.868 0.042 0.000 0.866 241 T HN 0.154 nan 8.240 nan 0.000 0.444 242 R N 0.538 121.048 120.500 0.017 0.000 2.611 242 R HA 0.285 4.273 4.340 -0.587 0.000 0.243 242 R C 2.017 178.314 176.300 -0.005 0.000 1.260 242 R CA -0.306 55.800 56.100 0.010 0.000 1.095 242 R CB 0.170 30.479 30.300 0.016 0.000 1.259 242 R HN 0.134 nan 8.270 nan 0.000 0.575 243 E N 0.378 120.572 120.200 -0.009 0.000 2.028 243 E HA -0.099 3.899 4.350 -0.587 0.000 0.191 243 E C -0.262 176.313 176.600 -0.042 0.000 0.988 243 E CA 0.963 57.349 56.400 -0.024 0.000 0.799 243 E CB 0.135 29.824 29.700 -0.018 0.000 0.755 243 E HN 0.304 nan 8.360 nan 0.000 0.447 244 N N 0.373 119.055 118.700 -0.030 0.000 2.487 244 N HA 0.139 4.527 4.740 -0.587 0.000 0.292 244 N C -0.775 174.722 175.510 -0.021 0.000 1.108 244 N CA -0.229 52.798 53.050 -0.037 0.000 0.956 244 N CB 2.005 40.481 38.487 -0.018 0.000 1.176 244 N HN -0.165 nan 8.380 nan 0.000 0.484 245 V N 2.480 122.377 119.914 -0.028 0.000 2.508 245 V HA 0.202 3.969 4.120 -0.587 0.000 0.281 245 V C 0.562 176.671 176.094 0.025 0.000 1.041 245 V CA -0.400 61.897 62.300 -0.006 0.000 1.016 245 V CB 0.247 32.066 31.823 -0.007 0.000 0.984 245 V HN 0.372 nan 8.190 nan 0.000 0.478 246 L N 5.644 126.889 121.223 0.037 0.000 2.289 246 L HA 0.576 4.564 4.340 -0.587 0.000 0.285 246 L C -0.483 176.434 176.870 0.079 0.000 1.049 246 L CA -0.436 54.451 54.840 0.078 0.000 0.804 246 L CB 1.732 43.858 42.059 0.112 0.000 1.195 246 L HN 0.406 nan 8.230 nan 0.000 0.428 247 V N 2.698 122.686 119.914 0.123 0.000 2.444 247 V HA 0.411 4.179 4.120 -0.587 0.000 0.294 247 V C -0.321 175.893 176.094 0.199 0.000 1.022 247 V CA -0.677 61.692 62.300 0.116 0.000 0.850 247 V CB 1.698 33.568 31.823 0.079 0.000 0.992 247 V HN 0.725 nan 8.190 nan 0.000 0.426 248 E N 2.583 122.899 120.200 0.193 0.000 2.212 248 E HA 0.638 4.636 4.350 -0.587 0.000 0.268 248 E C -0.402 176.277 176.600 0.131 0.000 0.902 248 E CA -0.464 56.053 56.400 0.195 0.000 0.779 248 E CB 2.140 31.959 29.700 0.198 0.000 1.172 248 E HN 0.863 nan 8.360 nan 0.000 0.409 249 T N 0.748 115.373 114.554 0.118 0.000 2.936 249 T HA 0.195 4.193 4.350 -0.587 0.000 0.282 249 T C 0.999 175.674 174.700 -0.042 0.000 1.003 249 T CA -0.785 61.342 62.100 0.045 0.000 1.005 249 T CB 1.034 69.945 68.868 0.071 0.000 1.097 249 T HN 0.424 nan 8.240 nan 0.000 0.532 250 L N 1.534 122.710 121.223 -0.078 0.000 2.191 250 L HA 0.024 4.012 4.340 -0.587 0.000 0.212 250 L C 1.989 178.636 176.870 -0.373 0.000 1.103 250 L CA 2.059 56.803 54.840 -0.160 0.000 0.769 250 L CB -1.063 40.949 42.059 -0.078 0.000 0.908 250 L HN 0.929 nan 8.230 nan 0.000 0.438 251 N N -2.447 116.085 118.700 -0.280 0.000 2.398 251 N HA -0.079 4.308 4.740 -0.587 0.000 0.188 251 N C 0.376 175.728 175.510 -0.265 0.000 1.122 251 N CA 1.004 53.869 53.050 -0.308 0.000 0.866 251 N CB -0.193 38.247 38.487 -0.079 0.000 0.970 251 N HN 0.587 nan 8.380 nan 0.000 0.462 252 H N -3.433 115.650 119.070 0.020 0.000 3.823 252 H HA -0.109 4.096 4.556 -0.586 0.000 0.147 252 H C -0.933 174.396 175.328 0.002 0.000 0.743 252 H CA 0.439 56.488 56.048 0.001 0.000 1.233 252 H CB -1.622 28.130 29.762 -0.017 0.000 0.773 252 H HN 0.316 nan 8.280 nan 0.000 0.535 253 E N 2.261 122.522 120.200 0.101 0.000 2.415 253 E HA 0.184 4.182 4.350 -0.587 0.000 0.262 253 E C 0.157 176.772 176.600 0.025 0.000 1.038 253 E CA 0.242 56.657 56.400 0.025 0.000 0.921 253 E CB 0.547 30.274 29.700 0.045 0.000 0.950 253 E HN 0.104 nan 8.360 nan 0.000 0.438 254 M N 2.642 122.166 119.600 -0.127 0.000 2.364 254 M HA 0.345 4.473 4.480 -0.587 0.000 0.334 254 M C -1.185 174.973 176.300 -0.237 0.000 1.107 254 M CA -0.550 54.720 55.300 -0.049 0.000 0.988 254 M CB 0.981 33.566 32.600 -0.025 0.000 1.673 254 M HN 0.453 nan 8.290 nan 0.000 0.441 255 Y N 0.241 120.559 120.300 0.032 0.000 2.446 255 Y HA 0.465 4.663 4.550 -0.586 0.000 0.345 255 Y C -0.007 175.907 175.900 0.025 0.000 0.984 255 Y CA -0.684 57.431 58.100 0.025 0.000 1.058 255 Y CB 1.853 40.326 38.460 0.022 0.000 1.220 255 Y HN 0.571 nan 8.280 nan 0.000 0.455 256 E N 1.587 121.876 120.200 0.148 0.000 2.222 256 E HA 0.847 4.844 4.350 -0.587 0.000 0.267 256 E C -1.369 175.278 176.600 0.078 0.000 0.884 256 E CA -0.830 55.622 56.400 0.087 0.000 0.764 256 E CB 1.831 31.558 29.700 0.044 0.000 1.169 256 E HN 0.740 nan 8.360 nan 0.000 0.413 257 A N 2.829 125.679 122.820 0.049 0.000 2.606 257 A HA 0.329 4.297 4.320 -0.587 0.000 0.293 257 A C 0.041 177.607 177.584 -0.029 0.000 1.082 257 A CA -0.634 51.425 52.037 0.036 0.000 0.685 257 A CB 1.434 20.473 19.000 0.066 0.000 1.284 257 A HN 0.638 nan 8.150 nan 0.000 0.408 258 K N -0.623 119.744 120.400 -0.055 0.000 2.148 258 K HA 0.028 3.996 4.320 -0.587 0.000 0.204 258 K C -0.626 175.642 176.600 -0.553 0.000 1.050 258 K CA 1.611 57.737 56.287 -0.268 0.000 0.942 258 K CB -0.108 32.284 32.500 -0.180 0.000 0.724 258 K HN 0.617 nan 8.250 nan 0.000 0.446 259 Y N -1.518 118.804 120.300 0.036 0.000 2.615 259 Y HA 0.395 4.592 4.550 -0.588 0.000 0.341 259 Y C -0.753 175.174 175.900 0.044 0.000 1.089 259 Y CA -1.264 56.868 58.100 0.055 0.000 1.049 259 Y CB 2.031 40.502 38.460 0.017 0.000 1.296 259 Y HN -0.444 nan 8.280 nan 0.000 0.470 260 V N 3.339 123.400 119.914 0.245 0.000 2.686 260 V HA 0.425 4.192 4.120 -0.587 0.000 0.306 260 V C -0.692 175.455 176.094 0.089 0.000 1.065 260 V CA -0.823 61.549 62.300 0.120 0.000 0.894 260 V CB 1.969 33.832 31.823 0.066 0.000 1.004 260 V HN 0.542 nan 8.190 nan 0.000 0.424 261 I N 3.391 123.987 120.570 0.043 0.000 2.321 261 I HA 0.346 4.163 4.170 -0.587 0.000 0.291 261 I C 0.380 176.501 176.117 0.007 0.000 0.998 261 I CA -0.034 61.272 61.300 0.011 0.000 1.227 261 I CB 1.769 39.779 38.000 0.016 0.000 1.368 261 I HN 0.620 nan 8.210 nan 0.000 0.466 262 S N 5.484 121.172 115.700 -0.020 0.000 2.422 262 S HA 0.580 4.698 4.470 -0.587 0.000 0.298 262 S C 0.292 174.996 174.600 0.173 0.000 1.118 262 S CA -0.419 57.842 58.200 0.102 0.000 1.083 262 S CB 0.893 64.218 63.200 0.208 0.000 0.971 262 S HN 0.731 nan 8.310 nan 0.000 0.478 263 A N 5.647 128.551 122.820 0.141 0.000 2.749 263 A HA 0.457 4.425 4.320 -0.587 0.000 0.299 263 A C 0.256 177.924 177.584 0.140 0.000 1.105 263 A CA -0.669 51.452 52.037 0.140 0.000 0.987 263 A CB -0.510 18.547 19.000 0.096 0.000 1.180 263 A HN 0.932 nan 8.150 nan 0.000 0.528 264 I N -3.629 117.038 120.570 0.162 0.000 2.822 264 I HA 0.695 4.512 4.170 -0.587 0.000 0.312 264 I C -2.874 173.334 176.117 0.151 0.000 1.011 264 I CA -3.047 58.343 61.300 0.150 0.000 1.105 264 I CB 1.307 39.398 38.000 0.152 0.000 1.291 264 I HN -0.151 nan 8.210 nan 0.000 0.474 265 P HA 0.169 nan 4.420 nan 0.000 0.265 265 P C -2.194 175.151 177.300 0.074 0.000 1.193 265 P CA -0.754 62.409 63.100 0.105 0.000 0.765 265 P CB 0.056 31.809 31.700 0.087 0.000 0.823 266 P HA -0.260 nan 4.420 nan 0.000 0.216 266 P C 1.647 178.917 177.300 -0.049 0.000 1.167 266 P CA 2.036 65.125 63.100 -0.018 0.000 0.914 266 P CB -0.408 31.256 31.700 -0.060 0.000 0.793 267 T N -1.299 113.202 114.554 -0.088 0.000 2.897 267 T HA -0.113 3.884 4.350 -0.587 0.000 0.271 267 T C 1.419 176.095 174.700 -0.039 0.000 1.084 267 T CA 0.779 62.816 62.100 -0.105 0.000 1.123 267 T CB -0.838 67.941 68.868 -0.148 0.000 0.865 267 T HN -0.031 nan 8.240 nan 0.000 0.496 268 L N 0.264 121.495 121.223 0.013 0.000 2.610 268 L HA 0.197 4.184 4.340 -0.587 0.000 0.232 268 L C 2.552 179.483 176.870 0.101 0.000 1.149 268 L CA 0.467 55.341 54.840 0.056 0.000 0.872 268 L CB -0.465 41.649 42.059 0.092 0.000 0.992 268 L HN 0.331 nan 8.230 nan 0.000 0.447 269 G N -0.576 108.289 108.800 0.109 0.000 2.511 269 G HA2 -0.181 3.426 3.960 -0.587 0.000 0.217 269 G HA3 -0.181 3.426 3.960 -0.587 0.000 0.217 269 G C 1.587 176.613 174.900 0.210 0.000 1.133 269 G CA -0.073 45.152 45.100 0.209 0.000 0.792 269 G HN 0.112 nan 8.290 nan 0.000 0.539 270 M N 0.530 120.184 119.600 0.090 0.000 2.267 270 M HA -0.021 4.106 4.480 -0.587 0.000 0.263 270 M C 1.975 178.296 176.300 0.035 0.000 1.063 270 M CA 1.049 56.373 55.300 0.040 0.000 1.090 270 M CB -0.445 32.143 32.600 -0.020 0.000 1.392 270 M HN 0.163 nan 8.290 nan 0.000 0.422 271 K N -0.057 120.385 120.400 0.070 0.000 2.487 271 K HA 0.197 4.165 4.320 -0.587 0.000 0.192 271 K C 0.307 176.974 176.600 0.111 0.000 1.027 271 K CA 0.344 56.680 56.287 0.082 0.000 1.054 271 K CB 0.273 32.837 32.500 0.106 0.000 0.824 271 K HN 0.328 nan 8.250 nan 0.000 0.510 272 I N 0.918 121.528 120.570 0.066 0.000 2.433 272 I HA 0.138 3.956 4.170 -0.587 0.000 0.292 272 I C 0.059 176.074 176.117 -0.171 0.000 1.001 272 I CA -0.748 60.506 61.300 -0.076 0.000 1.119 272 I CB 1.595 39.412 38.000 -0.304 0.000 1.289 272 I HN 0.029 nan 8.210 nan 0.000 0.438 273 H N 5.951 124.905 119.070 -0.193 0.000 2.580 273 H HA 0.334 4.540 4.556 -0.584 0.000 0.322 273 H C -1.064 174.083 175.328 -0.300 0.000 1.082 273 H CA -0.146 55.868 56.048 -0.057 0.000 1.383 273 H CB 1.130 30.976 29.762 0.141 0.000 1.450 273 H HN 0.300 nan 8.280 nan 0.000 0.505 274 F N 1.766 121.743 119.950 0.045 0.000 2.458 274 F HA 0.195 4.368 4.527 -0.591 0.000 0.330 274 F C 0.575 176.331 175.800 -0.074 0.000 1.082 274 F CA -0.704 57.252 58.000 -0.073 0.000 0.995 274 F CB 1.410 40.386 39.000 -0.040 0.000 1.170 274 F HN 0.488 nan 8.300 nan 0.000 0.478 275 N N 3.177 121.889 118.700 0.020 0.000 2.519 275 N HA 0.368 4.756 4.740 -0.587 0.000 0.291 275 N C -3.156 172.372 175.510 0.031 0.000 1.107 275 N CA -2.093 50.977 53.050 0.035 0.000 0.904 275 N CB 2.189 40.699 38.487 0.038 0.000 1.500 275 N HN 0.057 nan 8.380 nan 0.000 0.510 276 P HA 0.308 nan 4.420 nan 0.000 0.272 276 P C -2.571 174.778 177.300 0.082 0.000 1.240 276 P CA -0.886 62.251 63.100 0.062 0.000 0.791 276 P CB -0.372 31.351 31.700 0.039 0.000 0.978 277 P HA -0.031 nan 4.420 nan 0.000 0.268 277 P C 0.060 177.361 177.300 0.003 0.000 1.189 277 P CA 0.664 63.803 63.100 0.064 0.000 0.771 277 P CB 0.123 31.847 31.700 0.040 0.000 0.822 278 L N 3.843 125.025 121.223 -0.069 0.000 2.467 278 L HA 0.184 4.172 4.340 -0.587 0.000 0.270 278 L C -1.632 175.181 176.870 -0.095 0.000 1.205 278 L CA -1.720 53.021 54.840 -0.166 0.000 0.828 278 L CB -0.716 41.157 42.059 -0.311 0.000 1.101 278 L HN 0.309 nan 8.230 nan 0.000 0.479 279 P HA -0.104 nan 4.420 nan 0.000 0.264 279 P C 0.701 177.966 177.300 -0.059 0.000 1.179 279 P CA 0.103 63.166 63.100 -0.061 0.000 0.763 279 P CB 0.437 32.099 31.700 -0.062 0.000 0.806 280 M N 2.697 122.274 119.600 -0.038 0.000 2.088 280 M HA -0.252 3.876 4.480 -0.587 0.000 0.256 280 M C 1.278 177.575 176.300 -0.005 0.000 1.071 280 M CA 2.315 57.602 55.300 -0.023 0.000 1.097 280 M CB -0.436 32.155 32.600 -0.014 0.000 1.315 280 M HN 0.197 nan 8.290 nan 0.000 0.406 281 M N -0.005 119.592 119.600 -0.006 0.000 2.073 281 M HA -0.239 3.889 4.480 -0.587 0.000 0.258 281 M C 2.319 178.645 176.300 0.043 0.000 1.070 281 M CA 2.254 57.581 55.300 0.045 0.000 1.103 281 M CB -1.637 30.945 32.600 -0.030 0.000 1.321 281 M HN 0.427 nan 8.290 nan 0.000 0.405 282 R N 0.293 120.756 120.500 -0.062 0.000 2.070 282 R HA -0.180 3.807 4.340 -0.587 0.000 0.233 282 R C 2.039 178.247 176.300 -0.154 0.000 1.137 282 R CA 2.027 58.043 56.100 -0.140 0.000 0.945 282 R CB -0.438 29.737 30.300 -0.208 0.000 0.845 282 R HN 0.393 nan 8.270 nan 0.000 0.430 283 N N 0.157 118.776 118.700 -0.134 0.000 2.096 283 N HA -0.260 4.127 4.740 -0.587 0.000 0.195 283 N C 1.571 177.005 175.510 -0.126 0.000 1.017 283 N CA 2.167 55.144 53.050 -0.121 0.000 0.870 283 N CB -0.027 38.410 38.487 -0.082 0.000 1.024 283 N HN 0.431 nan 8.380 nan 0.000 0.434 284 Q N -1.428 118.304 119.800 -0.114 0.000 2.250 284 Q HA 0.010 3.998 4.340 -0.587 0.000 0.200 284 Q C 1.939 177.691 176.000 -0.414 0.000 0.941 284 Q CA 0.397 56.087 55.803 -0.189 0.000 0.872 284 Q CB -0.036 28.657 28.738 -0.075 0.000 0.965 284 Q HN 0.488 nan 8.270 nan 0.000 0.480 285 M N 1.570 120.930 119.600 -0.399 0.000 2.080 285 M HA -0.171 3.957 4.480 -0.587 0.000 0.260 285 M C 1.977 178.027 176.300 -0.416 0.000 1.068 285 M CA 1.707 56.698 55.300 -0.515 0.000 1.109 285 M CB -0.486 31.996 32.600 -0.196 0.000 1.342 285 M HN 0.306 nan 8.290 nan 0.000 0.405 286 I N -1.170 119.222 120.570 -0.296 0.000 3.241 286 I HA -0.080 3.738 4.170 -0.587 0.000 0.280 286 I C 1.275 177.247 176.117 -0.242 0.000 1.320 286 I CA 1.340 62.492 61.300 -0.247 0.000 1.413 286 I CB -0.931 36.965 38.000 -0.174 0.000 1.060 286 I HN 0.324 nan 8.210 nan 0.000 0.500 287 T N -2.848 111.538 114.554 -0.280 0.000 3.054 287 T HA 0.301 4.299 4.350 -0.587 0.000 0.255 287 T C 1.440 175.957 174.700 -0.305 0.000 1.035 287 T CA -0.260 61.691 62.100 -0.247 0.000 0.941 287 T CB -0.018 68.729 68.868 -0.202 0.000 1.026 287 T HN 0.391 nan 8.240 nan 0.000 0.533 288 R N 1.208 121.463 120.500 -0.408 0.000 2.509 288 R HA 0.332 4.320 4.340 -0.587 0.000 0.300 288 R C -0.044 175.922 176.300 -0.555 0.000 0.985 288 R CA -0.031 55.799 56.100 -0.450 0.000 1.092 288 R CB 1.132 31.107 30.300 -0.543 0.000 1.237 288 R HN 0.429 nan 8.270 nan 0.000 0.546 289 V N -0.900 118.677 119.914 -0.562 0.000 2.313 289 V HA 0.475 4.242 4.120 -0.587 0.000 0.262 289 V C -2.674 173.067 176.094 -0.588 0.000 1.011 289 V CA -2.432 59.429 62.300 -0.731 0.000 0.858 289 V CB 0.591 31.942 31.823 -0.787 0.000 1.104 289 V HN -0.108 nan 8.190 nan 0.000 0.456 290 P HA 0.521 nan 4.420 nan 0.000 0.276 290 P C -0.565 176.462 177.300 -0.454 0.000 1.252 290 P CA -0.349 62.434 63.100 -0.528 0.000 0.802 290 P CB 1.872 33.223 31.700 -0.581 0.000 1.035 291 L N 0.237 121.355 121.223 -0.175 0.000 2.358 291 L HA 0.613 4.600 4.340 -0.587 0.000 0.268 291 L C 1.453 178.387 176.870 0.106 0.000 1.032 291 L CA -0.310 54.519 54.840 -0.019 0.000 0.805 291 L CB 0.696 42.759 42.059 0.006 0.000 1.253 291 L HN 0.452 nan 8.230 nan 0.000 0.452 292 G N -0.264 108.602 108.800 0.110 0.000 2.653 292 G HA2 0.450 4.058 3.960 -0.587 0.000 0.265 292 G HA3 0.450 4.058 3.960 -0.587 0.000 0.265 292 G C -0.870 174.018 174.900 -0.020 0.000 1.237 292 G CA -0.354 44.763 45.100 0.029 0.000 0.946 292 G HN 0.492 nan 8.290 nan 0.000 0.522 293 S N -1.363 114.294 115.700 -0.071 0.000 2.561 293 S HA 0.601 4.719 4.470 -0.587 0.000 0.303 293 S C -1.030 173.537 174.600 -0.055 0.000 1.110 293 S CA -0.538 57.647 58.200 -0.025 0.000 1.034 293 S CB 1.704 64.903 63.200 -0.002 0.000 1.010 293 S HN 0.839 nan 8.310 nan 0.000 0.482 294 V N 4.617 124.547 119.914 0.027 0.000 3.000 294 V HA 0.566 4.333 4.120 -0.587 0.000 0.300 294 V C -1.965 174.267 176.094 0.230 0.000 1.251 294 V CA -0.762 61.584 62.300 0.077 0.000 0.972 294 V CB 1.776 33.579 31.823 -0.034 0.000 1.065 294 V HN 0.898 nan 8.190 nan 0.000 0.431 295 I N 5.217 125.939 120.570 0.254 0.000 2.389 295 I HA 0.512 4.329 4.170 -0.587 0.000 0.288 295 I C -0.195 176.145 176.117 0.371 0.000 0.999 295 I CA -0.675 60.794 61.300 0.281 0.000 1.129 295 I CB 1.740 39.849 38.000 0.182 0.000 1.288 295 I HN 0.509 nan 8.210 nan 0.000 0.444 296 K N 5.633 126.284 120.400 0.418 0.000 2.227 296 K HA 0.562 4.530 4.320 -0.587 0.000 0.280 296 K C -1.402 175.302 176.600 0.173 0.000 1.041 296 K CA -0.328 56.180 56.287 0.368 0.000 0.905 296 K CB 0.971 33.745 32.500 0.457 0.000 1.068 296 K HN 0.694 nan 8.250 nan 0.000 0.470 297 C N 5.564 124.923 119.300 0.098 0.000 2.397 297 C HA 0.532 4.640 4.460 -0.587 0.000 0.325 297 C C -0.749 174.258 174.990 0.028 0.000 1.201 297 C CA -1.171 57.885 59.018 0.063 0.000 1.377 297 C CB -0.174 27.703 27.740 0.227 0.000 2.038 297 C HN 0.706 nan 8.230 nan 0.000 0.457 298 I N 3.064 123.590 120.570 -0.074 0.000 2.389 298 I HA 0.479 4.297 4.170 -0.587 0.000 0.288 298 I C -0.260 175.797 176.117 -0.099 0.000 0.999 298 I CA -0.190 61.024 61.300 -0.144 0.000 1.129 298 I CB 1.501 39.374 38.000 -0.212 0.000 1.288 298 I HN 0.357 nan 8.210 nan 0.000 0.444 299 V N 6.972 126.816 119.914 -0.116 0.000 2.384 299 V HA 0.371 4.139 4.120 -0.587 0.000 0.287 299 V C -0.716 175.103 176.094 -0.459 0.000 1.020 299 V CA -0.710 61.533 62.300 -0.094 0.000 0.850 299 V CB 0.960 32.795 31.823 0.019 0.000 0.987 299 V HN 0.416 nan 8.190 nan 0.000 0.436 300 Y N 4.458 124.672 120.300 -0.143 0.000 2.308 300 Y HA 0.589 4.787 4.550 -0.588 0.000 0.329 300 Y C -0.222 175.562 175.900 -0.194 0.000 1.111 300 Y CA -0.150 57.924 58.100 -0.043 0.000 1.179 300 Y CB 1.130 39.673 38.460 0.139 0.000 1.201 300 Y HN 0.525 nan 8.280 nan 0.000 0.483 301 Y N 0.670 121.214 120.300 0.408 0.000 2.512 301 Y HA 0.244 4.442 4.550 -0.587 0.000 0.348 301 Y C 1.119 177.166 175.900 0.245 0.000 0.990 301 Y CA -1.374 56.940 58.100 0.357 0.000 1.033 301 Y CB 2.045 40.810 38.460 0.508 0.000 1.259 301 Y HN 0.535 nan 8.280 nan 0.000 0.461 302 K N 0.639 121.257 120.400 0.363 0.000 2.127 302 K HA -0.166 3.801 4.320 -0.587 0.000 0.208 302 K C -0.245 176.425 176.600 0.116 0.000 1.047 302 K CA 1.822 58.217 56.287 0.180 0.000 0.927 302 K CB 0.200 32.776 32.500 0.127 0.000 0.716 302 K HN 0.696 nan 8.250 nan 0.000 0.450 303 E N -1.466 118.816 120.200 0.137 0.000 2.413 303 E HA 0.186 4.184 4.350 -0.587 0.000 0.277 303 E C -2.715 173.761 176.600 -0.206 0.000 0.958 303 E CA -2.143 54.248 56.400 -0.016 0.000 0.779 303 E CB 2.307 31.990 29.700 -0.029 0.000 1.278 303 E HN -0.104 nan 8.360 nan 0.000 0.456 304 P HA 0.017 nan 4.420 nan 0.000 0.231 304 P C 0.559 177.006 177.300 -1.422 0.000 1.756 304 P CA 0.134 62.417 63.100 -1.361 0.000 0.990 304 P CB -1.021 30.173 31.700 -0.844 0.000 1.973 305 F N 0.303 119.685 119.950 -0.947 0.000 2.154 305 F HA -0.194 3.981 4.527 -0.587 0.000 0.301 305 F C 1.914 177.527 175.800 -0.311 0.000 1.087 305 F CA 0.293 58.019 58.000 -0.457 0.000 1.274 305 F CB -1.989 36.874 39.000 -0.227 0.000 1.009 305 F HN 0.133 nan 8.300 nan 0.000 0.485 306 W N 1.572 122.554 121.300 -0.531 0.000 2.321 306 W HA -0.132 4.176 4.660 -0.585 0.000 0.306 306 W C 2.149 178.601 176.519 -0.112 0.000 1.217 306 W CA 1.404 58.607 57.345 -0.237 0.000 1.257 306 W CB -1.230 28.046 29.460 -0.306 0.000 1.145 306 W HN -0.095 nan 8.180 nan 0.000 0.509 307 R N 1.050 121.333 120.500 -0.361 0.000 2.096 307 R HA -0.085 3.902 4.340 -0.587 0.000 0.235 307 R C 2.079 178.298 176.300 -0.135 0.000 1.127 307 R CA 1.712 57.708 56.100 -0.173 0.000 0.968 307 R CB -0.609 29.547 30.300 -0.239 0.000 0.861 307 R HN 0.271 nan 8.270 nan 0.000 0.440 308 K N 0.956 121.264 120.400 -0.153 0.000 2.209 308 K HA -0.108 3.859 4.320 -0.587 0.000 0.204 308 K C 1.436 177.964 176.600 -0.122 0.000 1.048 308 K CA 1.135 57.357 56.287 -0.109 0.000 0.940 308 K CB 0.102 32.553 32.500 -0.083 0.000 0.729 308 K HN 0.074 nan 8.250 nan 0.000 0.451 309 K N 0.544 120.844 120.400 -0.166 0.000 2.476 309 K HA -0.045 3.923 4.320 -0.587 0.000 0.196 309 K C -0.395 175.915 176.600 -0.484 0.000 1.025 309 K CA 0.198 56.283 56.287 -0.337 0.000 1.138 309 K CB 0.310 32.542 32.500 -0.448 0.000 0.860 309 K HN 0.053 nan 8.250 nan 0.000 0.515 310 D N 0.078 120.337 120.400 -0.236 0.000 2.772 310 D HA -0.231 4.057 4.640 -0.587 0.000 0.233 310 D C -1.322 174.982 176.300 0.007 0.000 1.143 310 D CA 0.933 54.864 54.000 -0.115 0.000 0.700 310 D CB -1.326 39.424 40.800 -0.084 0.000 1.076 310 D HN 0.357 nan 8.370 nan 0.000 0.430 311 Y N -0.859 119.476 120.300 0.058 0.000 2.377 311 Y HA 0.315 4.513 4.550 -0.586 0.000 0.339 311 Y C 2.026 177.992 175.900 0.110 0.000 1.011 311 Y CA -0.976 57.156 58.100 0.053 0.000 1.093 311 Y CB 1.278 39.781 38.460 0.072 0.000 1.201 311 Y HN 0.268 nan 8.280 nan 0.000 0.455 312 C N -0.980 118.435 119.300 0.190 0.000 2.495 312 C HA 0.476 4.583 4.460 -0.587 0.000 0.275 312 C C 1.667 176.731 174.990 0.123 0.000 1.392 312 C CA 0.714 59.824 59.018 0.154 0.000 1.766 312 C CB -0.793 26.968 27.740 0.034 0.000 1.933 312 C HN 1.196 nan 8.230 nan 0.000 0.519 313 G N -0.394 108.326 108.800 -0.135 0.000 2.421 313 G HA2 -0.102 3.506 3.960 -0.587 0.000 0.188 313 G HA3 -0.102 3.506 3.960 -0.587 0.000 0.188 313 G C 0.076 174.665 174.900 -0.519 0.000 1.001 313 G CA 0.154 44.895 45.100 -0.597 0.000 0.693 313 G HN 0.512 nan 8.290 nan 0.000 0.479 314 T N 2.740 117.078 114.554 -0.361 0.000 2.834 314 T HA 0.581 4.579 4.350 -0.587 0.000 0.298 314 T C 0.292 174.794 174.700 -0.330 0.000 0.966 314 T CA 0.732 62.602 62.100 -0.384 0.000 1.141 314 T CB 0.570 69.256 68.868 -0.302 0.000 0.905 314 T HN 0.293 nan 8.240 nan 0.000 0.535 315 M N 4.109 123.506 119.600 -0.338 0.000 2.327 315 M HA 0.499 4.627 4.480 -0.587 0.000 0.298 315 M C -0.892 175.407 176.300 -0.003 0.000 1.065 315 M CA -0.610 54.602 55.300 -0.146 0.000 0.916 315 M CB 2.281 34.784 32.600 -0.161 0.000 1.630 315 M HN 0.393 nan 8.290 nan 0.000 0.442 316 I N 4.352 125.062 120.570 0.234 0.000 2.355 316 I HA 0.446 4.263 4.170 -0.587 0.000 0.288 316 I C -0.905 175.460 176.117 0.413 0.000 0.999 316 I CA -0.330 61.212 61.300 0.402 0.000 1.163 316 I CB 1.191 39.476 38.000 0.475 0.000 1.316 316 I HN 0.608 nan 8.210 nan 0.000 0.454 317 I N 5.661 126.436 120.570 0.342 0.000 2.420 317 I HA 0.250 4.067 4.170 -0.587 0.000 0.282 317 I C -0.115 176.165 176.117 0.272 0.000 1.019 317 I CA -0.515 60.965 61.300 0.300 0.000 1.130 317 I CB 0.874 39.006 38.000 0.221 0.000 1.262 317 I HN 0.464 nan 8.210 nan 0.000 0.454 318 D N 4.834 125.388 120.400 0.256 0.000 2.368 318 D HA 0.453 4.741 4.640 -0.587 0.000 0.240 318 D C 0.459 176.856 176.300 0.161 0.000 1.169 318 D CA 0.942 55.062 54.000 0.200 0.000 0.906 318 D CB 1.586 42.481 40.800 0.159 0.000 1.187 318 D HN 0.804 nan 8.370 nan 0.000 0.435 319 G N 1.197 110.076 108.800 0.132 0.000 2.617 319 G HA2 -0.164 3.444 3.960 -0.587 0.000 0.686 319 G HA3 -0.164 3.444 3.960 -0.587 0.000 0.686 319 G C 0.491 175.458 174.900 0.112 0.000 1.214 319 G CA 0.024 45.190 45.100 0.111 0.000 0.796 319 G HN 0.446 nan 8.290 nan 0.000 0.654 320 E N 0.323 120.584 120.200 0.101 0.000 2.107 320 E HA -0.019 3.979 4.350 -0.587 0.000 0.191 320 E C 2.136 178.795 176.600 0.099 0.000 0.982 320 E CA 2.371 58.841 56.400 0.116 0.000 0.809 320 E CB -0.045 29.719 29.700 0.107 0.000 0.756 320 E HN 0.648 nan 8.360 nan 0.000 0.459 321 E N 0.639 120.888 120.200 0.082 0.000 2.204 321 E HA 0.079 4.076 4.350 -0.587 0.000 0.194 321 E C 0.373 177.006 176.600 0.054 0.000 0.989 321 E CA 0.875 57.313 56.400 0.064 0.000 0.824 321 E CB -0.377 29.358 29.700 0.058 0.000 0.756 321 E HN 0.305 nan 8.360 nan 0.000 0.477 322 A N 2.691 125.553 122.820 0.070 0.000 2.451 322 A HA 0.174 4.141 4.320 -0.587 0.000 0.266 322 A C -1.330 176.280 177.584 0.043 0.000 1.119 322 A CA -1.131 50.940 52.037 0.058 0.000 0.786 322 A CB 0.170 19.227 19.000 0.094 0.000 1.061 322 A HN -0.000 nan 8.150 nan 0.000 0.503 323 P HA -0.031 nan 4.420 nan 0.000 0.220 323 P C 0.142 177.468 177.300 0.044 0.000 1.148 323 P CA 0.984 64.089 63.100 0.007 0.000 0.803 323 P CB 0.137 31.822 31.700 -0.024 0.000 0.782 324 V N -0.293 119.664 119.914 0.073 0.000 2.588 324 V HA 0.496 4.264 4.120 -0.587 0.000 0.304 324 V C 0.970 177.175 176.094 0.185 0.000 1.042 324 V CA -0.202 62.186 62.300 0.147 0.000 0.877 324 V CB 1.710 33.634 31.823 0.168 0.000 0.996 324 V HN -0.075 nan 8.190 nan 0.000 0.425 325 A N 4.062 127.025 122.820 0.238 0.000 2.115 325 A HA 0.322 4.290 4.320 -0.587 0.000 0.211 325 A C 0.131 177.934 177.584 0.366 0.000 1.169 325 A CA 0.629 52.828 52.037 0.271 0.000 0.787 325 A CB 0.209 19.361 19.000 0.253 0.000 0.858 325 A HN 0.766 nan 8.150 nan 0.000 0.474 326 Y N 0.369 120.792 120.300 0.206 0.000 2.433 326 Y HA 0.484 4.683 4.550 -0.586 0.000 0.337 326 Y C -0.379 175.581 175.900 0.100 0.000 1.026 326 Y CA -0.512 57.696 58.100 0.180 0.000 1.037 326 Y CB 1.668 40.281 38.460 0.256 0.000 1.245 326 Y HN 0.119 nan 8.280 nan 0.000 0.443 327 T N 4.301 118.593 114.554 -0.437 0.000 2.907 327 T HA 0.841 4.838 4.350 -0.587 0.000 0.292 327 T C -1.318 172.981 174.700 -0.668 0.000 1.043 327 T CA -0.834 60.990 62.100 -0.459 0.000 1.003 327 T CB 1.849 70.452 68.868 -0.441 0.000 1.084 327 T HN 0.601 nan 8.240 nan 0.000 0.483 328 L N 0.917 121.857 121.223 -0.472 0.000 2.350 328 L HA 0.551 4.539 4.340 -0.587 0.000 0.260 328 L C -0.733 175.952 176.870 -0.309 0.000 1.015 328 L CA -1.245 53.373 54.840 -0.370 0.000 0.821 328 L CB 2.232 44.149 42.059 -0.236 0.000 1.370 328 L HN 0.737 nan 8.230 nan 0.000 0.416 329 D N 0.392 120.657 120.400 -0.226 0.000 2.348 329 D HA 0.043 4.331 4.640 -0.587 0.000 0.253 329 D C -0.279 176.032 176.300 0.018 0.000 1.161 329 D CA 0.273 54.189 54.000 -0.140 0.000 0.876 329 D CB 1.426 42.242 40.800 0.028 0.000 1.160 329 D HN 0.432 nan 8.370 nan 0.000 0.459 330 D N 1.797 122.211 120.400 0.022 0.000 2.402 330 D HA 0.067 4.355 4.640 -0.587 0.000 0.216 330 D C -0.320 176.066 176.300 0.144 0.000 1.128 330 D CA -0.037 54.010 54.000 0.079 0.000 0.833 330 D CB 0.305 41.091 40.800 -0.023 0.000 0.971 330 D HN 0.283 nan 8.370 nan 0.000 0.503 331 T N 1.882 116.559 114.554 0.205 0.000 2.908 331 T HA -0.006 3.992 4.350 -0.587 0.000 0.301 331 T C 0.623 175.398 174.700 0.125 0.000 1.019 331 T CA -0.024 62.193 62.100 0.195 0.000 1.152 331 T CB 0.753 69.743 68.868 0.204 0.000 0.966 331 T HN -0.017 nan 8.240 nan 0.000 0.540 332 K N 4.403 124.838 120.400 0.060 0.000 2.397 332 K HA 0.037 4.004 4.320 -0.587 0.000 0.265 332 K C -1.448 175.053 176.600 -0.165 0.000 0.982 332 K CA -1.458 54.767 56.287 -0.103 0.000 0.931 332 K CB -0.014 32.439 32.500 -0.078 0.000 0.943 332 K HN 0.343 nan 8.250 nan 0.000 0.501 333 P HA -0.122 nan 4.420 nan 0.000 0.228 333 P C 0.362 177.600 177.300 -0.104 0.000 1.151 333 P CA 1.280 64.198 63.100 -0.304 0.000 0.770 333 P CB 0.325 31.749 31.700 -0.459 0.000 0.786 334 E N -0.611 119.548 120.200 -0.068 0.000 2.060 334 E HA 0.146 4.144 4.350 -0.587 0.000 0.189 334 E C 1.759 178.351 176.600 -0.013 0.000 0.974 334 E CA 1.545 57.932 56.400 -0.021 0.000 0.808 334 E CB -0.584 29.120 29.700 0.007 0.000 0.768 334 E HN 0.304 nan 8.360 nan 0.000 0.453 335 G N -0.653 108.146 108.800 -0.003 0.000 2.425 335 G HA2 -0.156 3.451 3.960 -0.587 0.000 0.177 335 G HA3 -0.156 3.451 3.960 -0.587 0.000 0.177 335 G C 0.050 174.949 174.900 -0.001 0.000 0.999 335 G CA -0.440 44.652 45.100 -0.012 0.000 0.723 335 G HN 0.047 nan 8.290 nan 0.000 0.491 336 N N 0.238 118.957 118.700 0.032 0.000 2.415 336 N HA 0.374 4.762 4.740 -0.587 0.000 0.248 336 N C 0.401 176.019 175.510 0.179 0.000 1.271 336 N CA 0.113 53.190 53.050 0.046 0.000 0.913 336 N CB -0.191 38.428 38.487 0.218 0.000 1.129 336 N HN 0.317 nan 8.380 nan 0.000 0.444 337 Y N -2.138 118.186 120.300 0.041 0.000 2.980 337 Y HA -0.265 3.933 4.550 -0.587 0.000 0.199 337 Y C 0.730 176.755 175.900 0.208 0.000 1.319 337 Y CA 0.221 58.391 58.100 0.116 0.000 0.877 337 Y CB -1.926 36.568 38.460 0.057 0.000 1.259 337 Y HN 0.478 nan 8.280 nan 0.000 0.437 338 A N 0.773 123.767 122.820 0.291 0.000 2.445 338 A HA 0.757 4.725 4.320 -0.587 0.000 0.242 338 A C 0.615 178.439 177.584 0.399 0.000 1.075 338 A CA 0.416 52.636 52.037 0.305 0.000 0.777 338 A CB 0.500 19.608 19.000 0.181 0.000 1.013 338 A HN 1.490 nan 8.150 nan 0.000 0.493 339 A N 1.490 124.533 122.820 0.371 0.000 2.608 339 A HA 0.644 4.612 4.320 -0.587 0.000 0.292 339 A C -1.203 176.350 177.584 -0.052 0.000 1.066 339 A CA -0.480 51.577 52.037 0.034 0.000 0.676 339 A CB 0.949 19.683 19.000 -0.442 0.000 1.277 339 A HN 0.699 nan 8.150 nan 0.000 0.413 340 I N 2.029 122.444 120.570 -0.258 0.000 2.436 340 I HA 0.395 4.213 4.170 -0.587 0.000 0.289 340 I C -0.387 175.539 176.117 -0.318 0.000 1.010 340 I CA -0.371 60.659 61.300 -0.451 0.000 1.098 340 I CB 1.742 39.305 38.000 -0.728 0.000 1.266 340 I HN 0.757 nan 8.210 nan 0.000 0.434 341 M N 5.269 124.696 119.600 -0.288 0.000 2.264 341 M HA 0.684 4.812 4.480 -0.587 0.000 0.352 341 M C -0.386 175.764 176.300 -0.249 0.000 1.173 341 M CA -0.179 54.990 55.300 -0.217 0.000 1.075 341 M CB 1.408 33.914 32.600 -0.155 0.000 1.621 341 M HN 0.728 nan 8.290 nan 0.000 0.457 342 G N 3.988 112.672 108.800 -0.193 0.000 2.718 342 G HA2 0.662 4.270 3.960 -0.587 0.000 0.295 342 G HA3 0.662 4.270 3.960 -0.587 0.000 0.295 342 G C -2.110 172.712 174.900 -0.131 0.000 1.421 342 G CA -0.563 44.458 45.100 -0.130 0.000 0.902 342 G HN 0.630 nan 8.290 nan 0.000 0.501 343 F N 0.317 120.406 119.950 0.232 0.000 2.443 343 F HA 0.555 4.734 4.527 -0.579 0.000 0.335 343 F C 0.498 176.398 175.800 0.166 0.000 1.104 343 F CA -0.785 57.348 58.000 0.221 0.000 1.013 343 F CB 2.327 41.483 39.000 0.261 0.000 1.136 343 F HN 0.051 nan 8.300 nan 0.000 0.470 344 I N 5.050 125.819 120.570 0.332 0.000 2.328 344 I HA 0.287 4.105 4.170 -0.587 0.000 0.287 344 I C -0.763 175.433 176.117 0.132 0.000 1.012 344 I CA -0.349 61.062 61.300 0.184 0.000 1.195 344 I CB 0.892 38.970 38.000 0.129 0.000 1.350 344 I HN 0.368 nan 8.210 nan 0.000 0.464 345 L N 6.188 127.453 121.223 0.070 0.000 2.334 345 L HA 0.721 4.708 4.340 -0.587 0.000 0.275 345 L C 1.055 177.879 176.870 -0.076 0.000 1.036 345 L CA -0.207 54.629 54.840 -0.007 0.000 0.807 345 L CB 1.449 43.509 42.059 0.003 0.000 1.231 345 L HN 0.859 nan 8.230 nan 0.000 0.438 346 A N 1.884 124.652 122.820 -0.087 0.000 5.395 346 A HA -0.372 3.596 4.320 -0.587 0.000 0.324 346 A C 1.738 179.294 177.584 -0.046 0.000 1.813 346 A CA 1.655 53.647 52.037 -0.075 0.000 0.714 346 A CB -1.629 17.326 19.000 -0.075 0.000 1.374 346 A HN 1.115 nan 8.150 nan 0.000 0.390 347 H N 0.723 119.774 119.070 -0.032 0.000 2.460 347 H HA -0.088 4.113 4.556 -0.593 0.000 0.297 347 H C 1.727 177.065 175.328 0.016 0.000 1.103 347 H CA 1.945 57.992 56.048 -0.002 0.000 1.292 347 H CB -0.318 29.452 29.762 0.013 0.000 1.376 347 H HN 0.713 nan 8.280 nan 0.000 0.531 348 K N 0.606 120.673 120.400 -0.556 0.000 2.155 348 K HA 0.086 4.054 4.320 -0.587 0.000 0.203 348 K C 2.567 179.098 176.600 -0.114 0.000 1.052 348 K CA 0.790 56.858 56.287 -0.366 0.000 0.948 348 K CB 0.031 32.317 32.500 -0.357 0.000 0.728 348 K HN 0.335 nan 8.250 nan 0.000 0.448 349 A N 1.496 124.276 122.820 -0.067 0.000 2.019 349 A HA -0.180 3.788 4.320 -0.587 0.000 0.219 349 A C 1.947 179.540 177.584 0.015 0.000 1.164 349 A CA 1.314 53.353 52.037 0.003 0.000 0.644 349 A CB -0.274 18.741 19.000 0.024 0.000 0.805 349 A HN 0.220 nan 8.150 nan 0.000 0.449 350 R N -0.709 119.798 120.500 0.012 0.000 2.100 350 R HA 0.041 4.029 4.340 -0.587 0.000 0.220 350 R C 2.284 178.603 176.300 0.031 0.000 1.091 350 R CA 1.168 57.287 56.100 0.031 0.000 0.986 350 R CB -0.193 30.136 30.300 0.048 0.000 0.888 350 R HN 0.490 nan 8.270 nan 0.000 0.444 351 K N 1.199 121.616 120.400 0.027 0.000 2.062 351 K HA -0.048 3.920 4.320 -0.587 0.000 0.205 351 K C 1.604 178.217 176.600 0.022 0.000 1.051 351 K CA 1.146 57.453 56.287 0.034 0.000 0.941 351 K CB 0.141 32.666 32.500 0.042 0.000 0.719 351 K HN 0.164 nan 8.250 nan 0.000 0.440 352 L N 0.196 121.427 121.223 0.013 0.000 2.567 352 L HA 0.130 4.118 4.340 -0.587 0.000 0.225 352 L C 2.133 179.019 176.870 0.026 0.000 1.119 352 L CA 0.156 55.006 54.840 0.017 0.000 0.871 352 L CB -0.017 42.050 42.059 0.013 0.000 1.036 352 L HN 0.130 nan 8.230 nan 0.000 0.459 353 A N 0.294 123.131 122.820 0.028 0.000 2.121 353 A HA -0.107 3.860 4.320 -0.587 0.000 0.218 353 A C 2.358 179.957 177.584 0.025 0.000 1.154 353 A CA 0.807 52.863 52.037 0.031 0.000 0.679 353 A CB -0.306 18.712 19.000 0.030 0.000 0.795 353 A HN 0.303 nan 8.150 nan 0.000 0.458 354 R N -0.544 119.969 120.500 0.022 0.000 2.115 354 R HA 0.028 4.016 4.340 -0.587 0.000 0.230 354 R C 0.351 176.661 176.300 0.017 0.000 1.111 354 R CA 0.430 56.541 56.100 0.019 0.000 0.976 354 R CB -0.477 29.834 30.300 0.018 0.000 0.870 354 R HN 0.455 nan 8.270 nan 0.000 0.445 355 L N 0.466 121.699 121.223 0.018 0.000 2.475 355 L HA 0.077 4.064 4.340 -0.587 0.000 0.250 355 L C 0.982 177.865 176.870 0.020 0.000 1.224 355 L CA -0.292 54.557 54.840 0.015 0.000 0.821 355 L CB 0.277 42.342 42.059 0.010 0.000 1.141 355 L HN 0.139 nan 8.230 nan 0.000 0.494 356 T N -3.257 111.308 114.554 0.018 0.000 2.902 356 T HA 0.170 4.168 4.350 -0.587 0.000 0.280 356 T C 0.833 175.556 174.700 0.038 0.000 0.992 356 T CA -0.840 61.276 62.100 0.025 0.000 1.015 356 T CB 1.554 70.434 68.868 0.019 0.000 1.044 356 T HN 0.617 nan 8.240 nan 0.000 0.520 357 K N 0.373 120.811 120.400 0.063 0.000 2.077 357 K HA -0.268 3.699 4.320 -0.587 0.000 0.213 357 K C 1.839 178.475 176.600 0.059 0.000 1.051 357 K CA 2.210 58.570 56.287 0.121 0.000 0.929 357 K CB -0.192 32.390 32.500 0.137 0.000 0.715 357 K HN 0.693 nan 8.250 nan 0.000 0.451 358 E N 0.435 120.642 120.200 0.013 0.000 2.107 358 E HA -0.126 3.871 4.350 -0.587 0.000 0.191 358 E C 1.793 178.344 176.600 -0.080 0.000 0.982 358 E CA 1.288 57.661 56.400 -0.044 0.000 0.809 358 E CB 0.043 29.732 29.700 -0.018 0.000 0.756 358 E HN 0.395 nan 8.360 nan 0.000 0.459 359 E N 0.238 120.412 120.200 -0.045 0.000 2.153 359 E HA -0.129 3.868 4.350 -0.587 0.000 0.194 359 E C 2.081 178.637 176.600 -0.072 0.000 0.988 359 E CA 0.671 57.042 56.400 -0.048 0.000 0.811 359 E CB -0.004 29.683 29.700 -0.022 0.000 0.746 359 E HN 0.118 nan 8.360 nan 0.000 0.466 360 R N 0.449 120.909 120.500 -0.067 0.000 2.075 360 R HA -0.051 3.936 4.340 -0.587 0.000 0.232 360 R C 2.522 178.690 176.300 -0.219 0.000 1.126 360 R CA 0.667 56.720 56.100 -0.078 0.000 0.963 360 R CB -0.337 29.979 30.300 0.027 0.000 0.858 360 R HN 0.213 nan 8.270 nan 0.000 0.435 361 L N 1.317 122.294 121.223 -0.411 0.000 2.013 361 L HA -0.279 3.709 4.340 -0.587 0.000 0.212 361 L C 2.506 179.171 176.870 -0.342 0.000 1.073 361 L CA 1.726 56.165 54.840 -0.668 0.000 0.753 361 L CB -0.288 41.324 42.059 -0.745 0.000 0.890 361 L HN 0.171 nan 8.230 nan 0.000 0.432 362 K N -0.222 120.047 120.400 -0.218 0.000 2.063 362 K HA -0.226 3.742 4.320 -0.587 0.000 0.208 362 K C 2.148 178.668 176.600 -0.134 0.000 1.048 362 K CA 1.496 57.702 56.287 -0.135 0.000 0.928 362 K CB 0.050 32.497 32.500 -0.088 0.000 0.713 362 K HN 0.245 nan 8.250 nan 0.000 0.442 363 K N 0.402 120.717 120.400 -0.141 0.000 2.097 363 K HA -0.082 3.886 4.320 -0.587 0.000 0.205 363 K C 2.103 178.573 176.600 -0.216 0.000 1.050 363 K CA 0.914 57.121 56.287 -0.134 0.000 0.938 363 K CB -0.016 32.425 32.500 -0.098 0.000 0.718 363 K HN 0.244 nan 8.250 nan 0.000 0.442 364 L N 0.256 121.301 121.223 -0.298 0.000 2.109 364 L HA -0.184 3.804 4.340 -0.587 0.000 0.207 364 L C 2.605 179.071 176.870 -0.673 0.000 1.086 364 L CA 0.861 55.364 54.840 -0.561 0.000 0.760 364 L CB -0.539 41.230 42.059 -0.482 0.000 0.910 364 L HN 0.266 nan 8.230 nan 0.000 0.437 365 C N 0.193 119.319 119.300 -0.290 0.000 2.453 365 C HA -0.127 3.980 4.460 -0.587 0.000 0.277 365 C C 2.634 177.610 174.990 -0.024 0.000 1.262 365 C CA 0.540 59.530 59.018 -0.046 0.000 1.718 365 C CB -0.609 27.149 27.740 0.029 0.000 2.031 365 C HN 0.508 nan 8.230 nan 0.000 0.480 366 E N 0.396 120.554 120.200 -0.070 0.000 2.118 366 E HA -0.256 3.741 4.350 -0.587 0.000 0.195 366 E C 1.953 178.524 176.600 -0.049 0.000 0.992 366 E CA 1.181 57.557 56.400 -0.041 0.000 0.804 366 E CB -0.278 29.394 29.700 -0.047 0.000 0.741 366 E HN 0.529 nan 8.360 nan 0.000 0.458 367 L N 0.067 121.215 121.223 -0.125 0.000 2.027 367 L HA -0.176 3.812 4.340 -0.587 0.000 0.206 367 L C 2.000 178.868 176.870 -0.004 0.000 1.074 367 L CA 1.702 56.474 54.840 -0.115 0.000 0.745 367 L CB -0.530 41.414 42.059 -0.191 0.000 0.898 367 L HN 0.182 nan 8.230 nan 0.000 0.433 368 Y N -0.794 119.497 120.300 -0.015 0.000 2.293 368 Y HA -0.182 4.015 4.550 -0.588 0.000 0.291 368 Y C 2.507 178.429 175.900 0.037 0.000 1.137 368 Y CA 0.225 58.323 58.100 -0.003 0.000 1.202 368 Y CB -0.401 38.098 38.460 0.065 0.000 0.990 368 Y HN 0.389 nan 8.280 nan 0.000 0.537 369 A N 0.689 123.628 122.820 0.199 0.000 1.877 369 A HA -0.245 3.723 4.320 -0.587 0.000 0.216 369 A C 2.129 179.758 177.584 0.076 0.000 1.186 369 A CA 1.942 54.053 52.037 0.124 0.000 0.620 369 A CB -0.607 18.437 19.000 0.072 0.000 0.822 369 A HN 0.382 nan 8.150 nan 0.000 0.443 370 K N -0.488 119.929 120.400 0.029 0.000 2.057 370 K HA -0.098 3.870 4.320 -0.587 0.000 0.207 370 K C 1.795 178.371 176.600 -0.039 0.000 1.049 370 K CA 1.678 57.965 56.287 0.000 0.000 0.931 370 K CB -0.233 32.253 32.500 -0.023 0.000 0.714 370 K HN 0.230 nan 8.250 nan 0.000 0.440 371 V N 1.158 120.999 119.914 -0.121 0.000 2.379 371 V HA -0.179 3.589 4.120 -0.587 0.000 0.245 371 V C 2.104 178.163 176.094 -0.057 0.000 1.044 371 V CA 1.431 63.598 62.300 -0.222 0.000 1.036 371 V CB -0.224 31.432 31.823 -0.279 0.000 0.664 371 V HN 0.313 nan 8.190 nan 0.000 0.453 372 L N 0.346 121.592 121.223 0.038 0.000 2.492 372 L HA 0.253 4.240 4.340 -0.587 0.000 0.223 372 L C 1.554 178.592 176.870 0.280 0.000 1.132 372 L CA 0.757 55.698 54.840 0.168 0.000 0.850 372 L CB -0.673 41.557 42.059 0.286 0.000 0.966 372 L HN 0.552 nan 8.230 nan 0.000 0.454 373 G N 1.241 110.142 108.800 0.168 0.000 2.372 373 G HA2 -0.254 3.354 3.960 -0.587 0.000 0.297 373 G HA3 -0.254 3.354 3.960 -0.587 0.000 0.297 373 G C -0.160 174.821 174.900 0.135 0.000 1.005 373 G CA 0.520 45.705 45.100 0.141 0.000 1.173 373 G HN 0.402 nan 8.290 nan 0.000 0.511 374 S N -0.234 115.534 115.700 0.114 0.000 2.649 374 S HA 0.468 4.586 4.470 -0.587 0.000 0.274 374 S C 0.925 175.479 174.600 -0.077 0.000 1.176 374 S CA -0.636 57.575 58.200 0.020 0.000 0.988 374 S CB 1.920 65.134 63.200 0.024 0.000 1.071 374 S HN 0.247 nan 8.310 nan 0.000 0.478 375 L N 1.615 122.782 121.223 -0.092 0.000 2.197 375 L HA -0.221 3.767 4.340 -0.587 0.000 0.215 375 L C 2.301 179.052 176.870 -0.199 0.000 1.095 375 L CA 1.653 56.431 54.840 -0.104 0.000 0.764 375 L CB -0.288 41.720 42.059 -0.085 0.000 0.897 375 L HN 0.803 nan 8.230 nan 0.000 0.436 376 E N -0.526 119.426 120.200 -0.413 0.000 2.204 376 E HA -0.208 3.789 4.350 -0.587 0.000 0.195 376 E C 2.100 178.302 176.600 -0.663 0.000 0.990 376 E CA 1.045 57.046 56.400 -0.665 0.000 0.821 376 E CB -0.094 28.880 29.700 -1.210 0.000 0.750 376 E HN 0.540 nan 8.360 nan 0.000 0.477 377 A N 0.432 122.947 122.820 -0.508 0.000 2.121 377 A HA -0.093 3.875 4.320 -0.587 0.000 0.218 377 A C 1.847 179.563 177.584 0.220 0.000 1.154 377 A CA 0.692 52.702 52.037 -0.044 0.000 0.679 377 A CB -0.298 18.863 19.000 0.269 0.000 0.795 377 A HN 0.190 nan 8.150 nan 0.000 0.458 378 L N -1.128 120.140 121.223 0.075 0.000 2.599 378 L HA 0.066 4.053 4.340 -0.587 0.000 0.230 378 L C 0.544 177.492 176.870 0.130 0.000 1.141 378 L CA 0.470 55.368 54.840 0.097 0.000 0.877 378 L CB -0.079 41.998 42.059 0.030 0.000 1.009 378 L HN 0.329 nan 8.230 nan 0.000 0.447 379 E N 0.859 121.178 120.200 0.199 0.000 3.312 379 E HA 0.184 4.182 4.350 -0.587 0.000 0.215 379 E C -2.256 174.544 176.600 0.334 0.000 1.160 379 E CA -1.731 54.787 56.400 0.196 0.000 1.267 379 E CB 0.785 30.546 29.700 0.103 0.000 1.361 379 E HN 0.071 nan 8.360 nan 0.000 0.433 380 P HA -0.013 nan 4.420 nan 0.000 0.275 380 P C 0.429 177.814 177.300 0.141 0.000 1.227 380 P CA -0.117 63.053 63.100 0.117 0.000 0.781 380 P CB 2.019 33.711 31.700 -0.013 0.000 0.906 381 V N 1.675 121.687 119.914 0.163 0.000 3.471 381 V HA 0.114 3.881 4.120 -0.587 0.000 0.258 381 V C 0.614 176.857 176.094 0.249 0.000 1.192 381 V CA 0.953 63.365 62.300 0.187 0.000 1.116 381 V CB -0.743 31.197 31.823 0.194 0.000 0.792 381 V HN 0.698 nan 8.190 nan 0.000 0.459 382 H N -1.572 117.587 119.070 0.147 0.000 2.951 382 H HA 0.269 4.473 4.556 -0.587 0.000 0.292 382 H C -2.393 173.158 175.328 0.373 0.000 1.412 382 H CA -0.442 55.712 56.048 0.177 0.000 1.206 382 H CB 1.562 31.345 29.762 0.035 0.000 1.862 382 H HN 0.002 nan 8.280 nan 0.000 0.502 383 Y N 1.962 121.922 120.300 -0.567 0.000 2.479 383 Y HA 0.364 4.561 4.550 -0.588 0.000 0.338 383 Y C -1.573 174.147 175.900 -0.301 0.000 1.055 383 Y CA -0.544 57.418 58.100 -0.231 0.000 1.023 383 Y CB 1.663 40.038 38.460 -0.141 0.000 1.287 383 Y HN 0.540 nan 8.280 nan 0.000 0.447 384 E N 4.252 124.123 120.200 -0.548 0.000 2.317 384 E HA 0.400 4.397 4.350 -0.587 0.000 0.270 384 E C -1.480 174.709 176.600 -0.686 0.000 0.885 384 E CA -0.796 55.313 56.400 -0.485 0.000 0.760 384 E CB 2.656 32.306 29.700 -0.084 0.000 1.227 384 E HN 0.766 nan 8.360 nan 0.000 0.434 385 E N 0.450 120.385 120.200 -0.442 0.000 2.372 385 E HA 0.642 4.639 4.350 -0.587 0.000 0.279 385 E C -1.284 175.264 176.600 -0.088 0.000 0.946 385 E CA -1.028 55.218 56.400 -0.256 0.000 0.769 385 E CB 2.299 31.845 29.700 -0.256 0.000 1.230 385 E HN 0.116 nan 8.360 nan 0.000 0.442 386 K N 1.535 121.935 120.400 0.001 0.000 2.471 386 K HA 0.341 4.309 4.320 -0.587 0.000 0.252 386 K C -1.526 175.047 176.600 -0.045 0.000 0.938 386 K CA -0.673 55.563 56.287 -0.085 0.000 0.796 386 K CB 1.527 33.918 32.500 -0.181 0.000 1.161 386 K HN 0.497 nan 8.250 nan 0.000 0.425 387 N N 4.397 123.029 118.700 -0.114 0.000 2.678 387 N HA 0.132 4.519 4.740 -0.587 0.000 0.231 387 N C -0.328 175.144 175.510 -0.063 0.000 1.038 387 N CA -0.507 52.541 53.050 -0.004 0.000 0.932 387 N CB 0.170 38.662 38.487 0.008 0.000 1.176 387 N HN 0.670 nan 8.380 nan 0.000 0.511 388 W N 1.839 123.186 121.300 0.079 0.000 2.468 388 W HA -0.076 4.227 4.660 -0.595 0.000 0.262 388 W C 1.962 178.505 176.519 0.039 0.000 1.241 388 W CA 0.091 57.477 57.345 0.068 0.000 1.232 388 W CB -0.364 29.149 29.460 0.088 0.000 1.124 388 W HN 0.554 nan 8.180 nan 0.000 0.597 389 C N 0.480 119.892 119.300 0.187 0.000 2.409 389 C HA -0.173 3.934 4.460 -0.587 0.000 0.288 389 C C 2.195 177.219 174.990 0.057 0.000 1.395 389 C CA 1.503 60.585 59.018 0.107 0.000 1.792 389 C CB -1.596 26.187 27.740 0.073 0.000 1.847 389 C HN 0.501 nan 8.230 nan 0.000 0.534 390 E N 0.349 120.564 120.200 0.025 0.000 2.476 390 E HA 0.072 4.069 4.350 -0.587 0.000 0.196 390 E C -0.236 176.349 176.600 -0.024 0.000 1.029 390 E CA 0.053 56.446 56.400 -0.012 0.000 0.896 390 E CB -0.076 29.605 29.700 -0.032 0.000 1.012 390 E HN 0.462 nan 8.360 nan 0.000 0.475 391 E N 2.131 122.338 120.200 0.012 0.000 2.152 391 E HA 0.006 4.004 4.350 -0.587 0.000 0.285 391 E C 0.416 177.023 176.600 0.011 0.000 1.043 391 E CA -0.017 56.397 56.400 0.023 0.000 0.839 391 E CB 1.684 31.456 29.700 0.120 0.000 1.069 391 E HN 0.343 nan 8.360 nan 0.000 0.399 392 Q N 3.058 122.812 119.800 -0.077 0.000 2.079 392 Q HA -0.160 3.828 4.340 -0.587 0.000 0.200 392 Q C 0.315 176.137 176.000 -0.297 0.000 0.974 392 Q CA 1.466 57.118 55.803 -0.251 0.000 0.840 392 Q CB 0.098 28.566 28.738 -0.451 0.000 0.898 392 Q HN 0.583 nan 8.270 nan 0.000 0.430 393 Y N -0.541 119.787 120.300 0.048 0.000 2.583 393 Y HA 0.238 4.438 4.550 -0.584 0.000 0.294 393 Y C 1.290 177.248 175.900 0.096 0.000 1.170 393 Y CA -0.305 57.830 58.100 0.059 0.000 1.265 393 Y CB 0.726 39.212 38.460 0.044 0.000 1.119 393 Y HN 0.060 nan 8.280 nan 0.000 0.522 394 S N -1.789 114.024 115.700 0.189 0.000 3.056 394 S HA 0.315 4.433 4.470 -0.587 0.000 0.255 394 S C 1.796 176.475 174.600 0.132 0.000 1.079 394 S CA 0.572 58.894 58.200 0.203 0.000 0.810 394 S CB 0.512 63.913 63.200 0.336 0.000 0.810 394 S HN 0.548 nan 8.310 nan 0.000 0.477 395 G N 0.871 109.732 108.800 0.100 0.000 2.268 395 G HA2 0.035 3.643 3.960 -0.587 0.000 0.240 395 G HA3 0.035 3.643 3.960 -0.587 0.000 0.240 395 G C 0.545 175.490 174.900 0.075 0.000 1.010 395 G CA 0.160 45.291 45.100 0.052 0.000 0.618 395 G HN 1.403 nan 8.290 nan 0.000 0.516 396 G N -2.240 106.640 108.800 0.134 0.000 2.351 396 G HA2 0.536 4.144 3.960 -0.587 0.000 0.279 396 G HA3 0.536 4.144 3.960 -0.587 0.000 0.279 396 G C -1.144 173.829 174.900 0.122 0.000 1.297 396 G CA 0.391 45.574 45.100 0.139 0.000 0.886 396 G HN 1.525 nan 8.290 nan 0.000 0.493 397 C N -1.640 117.677 119.300 0.027 0.000 3.307 397 C HA 0.565 4.672 4.460 -0.587 0.000 0.333 397 C C 0.680 175.512 174.990 -0.263 0.000 1.291 397 C CA -0.678 58.283 59.018 -0.095 0.000 1.273 397 C CB 0.610 28.203 27.740 -0.244 0.000 1.580 397 C HN 0.748 nan 8.230 nan 0.000 0.481 398 Y N 0.698 120.929 120.300 -0.115 0.000 2.337 398 Y HA 0.235 4.439 4.550 -0.576 0.000 0.293 398 Y C 1.591 177.453 175.900 -0.062 0.000 1.123 398 Y CA 1.255 59.260 58.100 -0.158 0.000 1.201 398 Y CB -0.405 37.933 38.460 -0.203 0.000 1.011 398 Y HN 0.693 nan 8.280 nan 0.000 0.545 399 T N -1.926 112.708 114.554 0.134 0.000 2.647 399 T HA 0.409 4.407 4.350 -0.587 0.000 0.295 399 T C -0.673 174.128 174.700 0.170 0.000 1.126 399 T CA -0.646 61.571 62.100 0.195 0.000 1.040 399 T CB 1.217 70.286 68.868 0.335 0.000 1.472 399 T HN -0.131 nan 8.240 nan 0.000 0.500 400 T N 2.077 116.758 114.554 0.211 0.000 2.845 400 T HA 0.595 4.592 4.350 -0.587 0.000 0.288 400 T C -1.217 173.530 174.700 0.079 0.000 0.980 400 T CA -0.121 62.023 62.100 0.072 0.000 1.071 400 T CB 0.001 68.896 68.868 0.045 0.000 0.941 400 T HN 0.494 nan 8.240 nan 0.000 0.487 401 Y N 0.988 121.099 120.300 -0.315 0.000 2.509 401 Y HA 0.799 5.234 4.550 -0.192 0.000 0.341 401 Y C -1.555 173.863 175.900 -0.804 0.000 1.038 401 Y CA -2.121 55.471 58.100 -0.847 0.000 1.089 401 Y CB 0.767 38.837 38.460 -0.651 0.000 1.241 401 Y HN 0.389 nan 8.280 nan 0.000 0.468 402 F N 4.027 123.230 119.950 -1.245 0.000 2.404 402 F HA 0.570 4.785 4.527 -0.520 0.000 0.354 402 F C -2.238 173.441 175.800 -0.202 0.000 1.122 402 F CA -2.873 54.750 58.000 -0.629 0.000 1.080 402 F CB 1.306 39.993 39.000 -0.522 0.000 1.131 402 F HN 0.367 nan 8.300 nan 0.000 0.471 403 P HA 0.112 nan 4.420 nan 0.000 0.272 403 P C -2.535 174.848 177.300 0.139 0.000 1.240 403 P CA -1.172 61.988 63.100 0.100 0.000 0.791 403 P CB -0.225 31.481 31.700 0.010 0.000 0.978 404 P HA -0.069 nan 4.420 nan 0.000 0.265 404 P C 0.993 178.377 177.300 0.140 0.000 1.187 404 P CA 1.340 64.533 63.100 0.154 0.000 0.766 404 P CB -0.104 31.669 31.700 0.123 0.000 0.820 405 G N 2.340 111.235 108.800 0.159 0.000 2.234 405 G HA2 -0.272 3.336 3.960 -0.587 0.000 0.260 405 G HA3 -0.272 3.336 3.960 -0.587 0.000 0.260 405 G C 0.780 175.786 174.900 0.176 0.000 0.987 405 G CA 0.146 45.331 45.100 0.142 0.000 0.625 405 G HN 0.466 nan 8.290 nan 0.000 0.532 406 I N -0.070 120.632 120.570 0.220 0.000 2.867 406 I HA 0.209 4.026 4.170 -0.587 0.000 0.265 406 I C 2.526 178.876 176.117 0.388 0.000 1.162 406 I CA 0.962 62.438 61.300 0.294 0.000 1.471 406 I CB -0.898 37.190 38.000 0.146 0.000 1.123 406 I HN 0.268 nan 8.210 nan 0.000 0.440 407 L N 1.416 122.868 121.223 0.382 0.000 2.017 407 L HA -0.188 3.799 4.340 -0.587 0.000 0.208 407 L C 2.643 179.611 176.870 0.164 0.000 1.073 407 L CA 2.590 57.573 54.840 0.239 0.000 0.745 407 L CB -1.014 41.093 42.059 0.081 0.000 0.894 407 L HN 0.389 nan 8.230 nan 0.000 0.432 408 T N -3.850 110.797 114.554 0.156 0.000 2.821 408 T HA -0.170 3.828 4.350 -0.587 0.000 0.267 408 T C 1.818 176.474 174.700 -0.072 0.000 1.046 408 T CA 1.140 63.296 62.100 0.092 0.000 1.139 408 T CB -0.373 68.554 68.868 0.099 0.000 0.871 408 T HN 0.371 nan 8.240 nan 0.000 0.454 409 Q N -0.025 119.737 119.800 -0.063 0.000 2.163 409 Q HA 0.113 4.100 4.340 -0.587 0.000 0.198 409 Q C 1.152 176.862 176.000 -0.484 0.000 0.954 409 Q CA 1.188 56.821 55.803 -0.283 0.000 0.851 409 Q CB -0.037 28.528 28.738 -0.289 0.000 0.928 409 Q HN 0.762 nan 8.270 nan 0.000 0.459 410 Y N -1.048 119.186 120.300 -0.110 0.000 2.500 410 Y HA 0.251 4.462 4.550 -0.566 0.000 0.246 410 Y C 1.904 177.699 175.900 -0.176 0.000 1.146 410 Y CA -0.025 57.996 58.100 -0.132 0.000 1.230 410 Y CB 0.389 38.801 38.460 -0.079 0.000 1.214 410 Y HN 0.093 nan 8.280 nan 0.000 0.526 411 G N 1.774 110.472 108.800 -0.169 0.000 2.586 411 G HA2 -0.294 3.313 3.960 -0.587 0.000 0.218 411 G HA3 -0.294 3.313 3.960 -0.587 0.000 0.218 411 G C 1.696 176.159 174.900 -0.729 0.000 1.216 411 G CA 1.051 45.909 45.100 -0.404 0.000 0.786 411 G HN 0.318 nan 8.290 nan 0.000 0.583 412 R N 0.923 120.724 120.500 -1.165 0.000 2.369 412 R HA 0.104 4.091 4.340 -0.587 0.000 0.200 412 R C 1.706 177.843 176.300 -0.272 0.000 1.046 412 R CA 0.588 56.231 56.100 -0.762 0.000 1.057 412 R CB -0.779 29.131 30.300 -0.650 0.000 0.888 412 R HN 0.353 nan 8.270 nan 0.000 0.474 413 V N 1.126 120.910 119.914 -0.216 0.000 2.788 413 V HA -0.083 3.684 4.120 -0.587 0.000 0.251 413 V C 2.429 178.448 176.094 -0.125 0.000 1.068 413 V CA 0.780 63.002 62.300 -0.130 0.000 1.090 413 V CB -0.355 31.415 31.823 -0.088 0.000 0.710 413 V HN 0.174 nan 8.190 nan 0.000 0.467 414 L N 0.716 121.900 121.223 -0.067 0.000 2.042 414 L HA -0.155 3.833 4.340 -0.587 0.000 0.210 414 L C 2.376 179.218 176.870 -0.047 0.000 1.076 414 L CA 2.015 56.821 54.840 -0.057 0.000 0.749 414 L CB -0.291 41.833 42.059 0.108 0.000 0.893 414 L HN 0.434 nan 8.230 nan 0.000 0.432 415 R N -0.449 120.112 120.500 0.102 0.000 2.577 415 R HA 0.151 4.139 4.340 -0.587 0.000 0.344 415 R C 0.373 176.816 176.300 0.238 0.000 1.037 415 R CA -0.244 55.992 56.100 0.227 0.000 1.102 415 R CB 0.037 30.515 30.300 0.296 0.000 1.313 415 R HN 0.187 nan 8.270 nan 0.000 0.561 416 Q N 2.685 122.570 119.800 0.141 0.000 2.296 416 Q HA 0.224 4.211 4.340 -0.587 0.000 0.263 416 Q C -2.092 174.008 176.000 0.167 0.000 1.026 416 Q CA -2.184 53.689 55.803 0.116 0.000 0.912 416 Q CB 1.004 29.761 28.738 0.032 0.000 1.198 416 Q HN 0.096 nan 8.270 nan 0.000 0.407 417 P HA -0.101 nan 4.420 nan 0.000 0.266 417 P C -1.194 176.068 177.300 -0.063 0.000 1.193 417 P CA 0.132 63.119 63.100 -0.188 0.000 0.770 417 P CB 0.554 31.938 31.700 -0.527 0.000 0.836 418 V N 3.591 123.468 119.914 -0.062 0.000 2.239 418 V HA 0.138 3.905 4.120 -0.587 0.000 0.267 418 V C 0.687 176.731 176.094 -0.084 0.000 1.056 418 V CA 0.227 62.512 62.300 -0.025 0.000 0.830 418 V CB -0.031 31.825 31.823 0.055 0.000 1.090 418 V HN 0.792 nan 8.190 nan 0.000 0.459 419 D N 3.703 124.057 120.400 -0.077 0.000 4.566 419 D HA -0.290 3.997 4.640 -0.587 0.000 0.168 419 D C 1.396 177.680 176.300 -0.026 0.000 0.658 419 D CA 2.346 56.325 54.000 -0.036 0.000 1.285 419 D CB -0.314 40.480 40.800 -0.011 0.000 0.770 419 D HN 0.532 nan 8.370 nan 0.000 0.517 420 R N -0.009 120.500 120.500 0.015 0.000 2.432 420 R HA 0.442 4.430 4.340 -0.587 0.000 0.260 420 R C -0.063 176.347 176.300 0.184 0.000 0.935 420 R CA -0.131 56.068 56.100 0.166 0.000 1.080 420 R CB 0.516 30.832 30.300 0.028 0.000 1.155 420 R HN 0.305 nan 8.270 nan 0.000 0.531 421 I N 1.391 121.924 120.570 -0.061 0.000 2.371 421 I HA 0.179 3.997 4.170 -0.587 0.000 0.290 421 I C -0.569 175.225 176.117 -0.538 0.000 1.028 421 I CA -0.400 60.777 61.300 -0.204 0.000 1.345 421 I CB 0.558 38.401 38.000 -0.262 0.000 1.407 421 I HN -0.077 nan 8.210 nan 0.000 0.501 422 Y N 5.253 125.294 120.300 -0.432 0.000 2.509 422 Y HA 0.528 4.726 4.550 -0.587 0.000 0.341 422 Y C -0.539 175.042 175.900 -0.531 0.000 1.038 422 Y CA -0.769 57.109 58.100 -0.370 0.000 1.089 422 Y CB 1.762 40.141 38.460 -0.135 0.000 1.241 422 Y HN 0.282 nan 8.280 nan 0.000 0.468 423 F N 1.376 121.433 119.950 0.177 0.000 2.449 423 F HA 0.718 4.897 4.527 -0.579 0.000 0.342 423 F C 0.432 176.308 175.800 0.126 0.000 1.127 423 F CA -0.541 57.536 58.000 0.130 0.000 0.975 423 F CB 1.236 40.293 39.000 0.096 0.000 1.146 423 F HN 0.619 nan 8.300 nan 0.000 0.444 424 A N 2.418 125.396 122.820 0.262 0.000 3.687 424 A HA 0.951 4.918 4.320 -0.587 0.000 0.164 424 A C 0.412 178.126 177.584 0.217 0.000 1.564 424 A CA -0.359 51.794 52.037 0.193 0.000 0.896 424 A CB -0.177 18.896 19.000 0.122 0.000 1.731 424 A HN 1.460 nan 8.150 nan 0.000 0.607 425 G N -2.555 106.352 108.800 0.178 0.000 2.705 425 G HA2 0.073 3.681 3.960 -0.587 0.000 0.686 425 G HA3 0.073 3.681 3.960 -0.587 0.000 0.686 425 G C 0.485 175.511 174.900 0.210 0.000 1.285 425 G CA 0.681 45.891 45.100 0.183 0.000 0.800 425 G HN 1.638 nan 8.290 nan 0.000 0.611 426 T N -0.212 114.469 114.554 0.212 0.000 2.833 426 T HA -0.084 3.913 4.350 -0.587 0.000 0.269 426 T C 2.130 177.022 174.700 0.319 0.000 1.054 426 T CA 2.248 64.499 62.100 0.251 0.000 1.135 426 T CB -0.311 68.700 68.868 0.239 0.000 0.869 426 T HN 0.681 nan 8.240 nan 0.000 0.466 427 E N 0.883 121.276 120.200 0.322 0.000 2.401 427 E HA -0.087 3.910 4.350 -0.587 0.000 0.199 427 E C 1.931 178.777 176.600 0.410 0.000 1.023 427 E CA 1.435 58.078 56.400 0.405 0.000 0.859 427 E CB -0.664 29.249 29.700 0.355 0.000 0.780 427 E HN 0.750 nan 8.360 nan 0.000 0.523 428 T N -2.003 112.758 114.554 0.344 0.000 3.086 428 T HA 0.479 4.476 4.350 -0.587 0.000 0.250 428 T C 0.922 175.848 174.700 0.377 0.000 1.074 428 T CA 0.081 62.387 62.100 0.343 0.000 0.988 428 T CB 0.271 69.316 68.868 0.295 0.000 0.988 428 T HN 0.201 nan 8.240 nan 0.000 0.530 429 A N 1.782 124.827 122.820 0.375 0.000 2.346 429 A HA 0.534 4.502 4.320 -0.587 0.000 0.255 429 A C 1.536 179.375 177.584 0.425 0.000 1.113 429 A CA 0.257 52.518 52.037 0.374 0.000 0.798 429 A CB 0.177 19.366 19.000 0.316 0.000 1.073 429 A HN 0.539 nan 8.150 nan 0.000 0.502 430 T N -3.250 111.529 114.554 0.375 0.000 2.975 430 T HA 0.257 4.255 4.350 -0.587 0.000 0.261 430 T C 0.224 175.030 174.700 0.177 0.000 0.984 430 T CA 0.525 62.807 62.100 0.303 0.000 0.911 430 T CB -0.259 68.739 68.868 0.217 0.000 1.127 430 T HN 0.727 nan 8.240 nan 0.000 0.514 431 H N -0.851 118.246 119.070 0.044 0.000 2.744 431 H HA 0.272 4.476 4.556 -0.587 0.000 0.339 431 H C -0.951 174.393 175.328 0.026 0.000 1.004 431 H CA -0.943 55.059 56.048 -0.076 0.000 1.257 431 H CB 1.008 30.787 29.762 0.028 0.000 1.552 431 H HN 0.322 nan 8.280 nan 0.000 0.522 432 W N 2.292 123.297 121.300 -0.493 0.000 5.770 432 W HA -0.240 4.065 4.660 -0.591 0.000 0.389 432 W C 0.399 176.859 176.519 -0.098 0.000 1.469 432 W CA 0.921 57.989 57.345 -0.462 0.000 0.975 432 W CB -1.570 27.574 29.460 -0.527 0.000 2.622 432 W HN 0.366 nan 8.180 nan 0.000 1.500 433 S N 0.460 116.186 115.700 0.043 0.000 2.562 433 S HA 0.470 4.588 4.470 -0.587 0.000 0.281 433 S C 1.307 176.113 174.600 0.344 0.000 1.333 433 S CA 1.398 59.741 58.200 0.239 0.000 1.052 433 S CB 1.089 64.483 63.200 0.323 0.000 0.884 433 S HN 1.331 nan 8.310 nan 0.000 0.506 434 G N 2.901 111.964 108.800 0.438 0.000 2.253 434 G HA2 -0.170 3.437 3.960 -0.587 0.000 0.209 434 G HA3 -0.170 3.437 3.960 -0.587 0.000 0.209 434 G C -0.276 174.730 174.900 0.177 0.000 0.997 434 G CA 0.049 45.404 45.100 0.425 0.000 0.640 434 G HN 0.676 nan 8.290 nan 0.000 0.496 435 Y N -0.171 120.244 120.300 0.191 0.000 2.621 435 Y HA 0.704 4.905 4.550 -0.583 0.000 0.334 435 Y C 2.000 177.952 175.900 0.086 0.000 1.074 435 Y CA -0.759 57.408 58.100 0.112 0.000 1.149 435 Y CB 0.928 39.445 38.460 0.096 0.000 1.302 435 Y HN -0.019 nan 8.280 nan 0.000 0.501 436 M N -0.172 119.547 119.600 0.200 0.000 2.144 436 M HA -0.232 3.895 4.480 -0.587 0.000 0.260 436 M C 1.835 178.211 176.300 0.127 0.000 1.067 436 M CA 2.032 57.414 55.300 0.137 0.000 1.095 436 M CB -0.282 32.391 32.600 0.121 0.000 1.365 436 M HN 0.799 nan 8.290 nan 0.000 0.406 437 E N 0.762 121.021 120.200 0.098 0.000 2.033 437 E HA -0.168 3.829 4.350 -0.587 0.000 0.199 437 E C 1.985 178.681 176.600 0.159 0.000 1.011 437 E CA 2.201 58.642 56.400 0.069 0.000 0.815 437 E CB -0.757 28.896 29.700 -0.078 0.000 0.755 437 E HN 0.434 nan 8.360 nan 0.000 0.451 438 G N 0.171 109.110 108.800 0.232 0.000 2.469 438 G HA2 -0.298 3.310 3.960 -0.587 0.000 0.219 438 G HA3 -0.298 3.310 3.960 -0.587 0.000 0.219 438 G C 1.737 176.761 174.900 0.206 0.000 1.150 438 G CA 1.498 46.747 45.100 0.248 0.000 0.763 438 G HN 0.503 nan 8.290 nan 0.000 0.561 439 A N -0.053 122.876 122.820 0.182 0.000 1.940 439 A HA 0.052 4.020 4.320 -0.587 0.000 0.219 439 A C 2.621 180.277 177.584 0.119 0.000 1.176 439 A CA 1.953 54.079 52.037 0.148 0.000 0.631 439 A CB -0.537 18.539 19.000 0.126 0.000 0.814 439 A HN 0.289 nan 8.150 nan 0.000 0.446 440 V N -0.172 119.808 119.914 0.110 0.000 2.270 440 V HA -0.248 3.519 4.120 -0.587 0.000 0.245 440 V C 2.496 178.644 176.094 0.089 0.000 1.043 440 V CA 2.089 64.440 62.300 0.085 0.000 1.014 440 V CB -0.781 31.086 31.823 0.073 0.000 0.645 440 V HN 0.702 nan 8.190 nan 0.000 0.447 441 E N 0.282 120.556 120.200 0.124 0.000 2.086 441 E HA -0.336 3.661 4.350 -0.587 0.000 0.205 441 E C 2.207 178.861 176.600 0.090 0.000 1.027 441 E CA 2.086 58.567 56.400 0.136 0.000 0.830 441 E CB -0.189 29.640 29.700 0.216 0.000 0.751 441 E HN 0.552 nan 8.360 nan 0.000 0.456 442 A N 0.522 123.413 122.820 0.118 0.000 1.872 442 A HA -0.037 3.930 4.320 -0.587 0.000 0.214 442 A C 2.449 180.062 177.584 0.049 0.000 1.187 442 A CA 1.693 53.789 52.037 0.098 0.000 0.614 442 A CB -1.111 17.989 19.000 0.166 0.000 0.826 442 A HN 0.448 nan 8.150 nan 0.000 0.442 443 G N 0.010 108.846 108.800 0.060 0.000 2.491 443 G HA2 -0.278 3.330 3.960 -0.587 0.000 0.218 443 G HA3 -0.278 3.330 3.960 -0.587 0.000 0.218 443 G C 1.430 176.326 174.900 -0.007 0.000 1.180 443 G CA 1.139 46.260 45.100 0.034 0.000 0.774 443 G HN 0.671 nan 8.290 nan 0.000 0.562 444 E N -0.145 120.046 120.200 -0.015 0.000 2.072 444 E HA -0.061 3.936 4.350 -0.587 0.000 0.190 444 E C 2.531 179.069 176.600 -0.105 0.000 0.982 444 E CA 0.354 56.728 56.400 -0.043 0.000 0.803 444 E CB -0.185 29.503 29.700 -0.019 0.000 0.755 444 E HN 0.338 nan 8.360 nan 0.000 0.453 445 R N 1.348 121.755 120.500 -0.155 0.000 2.080 445 R HA -0.173 3.815 4.340 -0.587 0.000 0.236 445 R C 2.344 178.491 176.300 -0.255 0.000 1.137 445 R CA 1.538 57.446 56.100 -0.320 0.000 0.943 445 R CB -0.390 29.565 30.300 -0.574 0.000 0.846 445 R HN 0.145 nan 8.270 nan 0.000 0.431 446 A N 0.970 123.701 122.820 -0.149 0.000 1.903 446 A HA -0.224 3.744 4.320 -0.587 0.000 0.219 446 A C 2.445 179.930 177.584 -0.165 0.000 1.191 446 A CA 2.349 54.332 52.037 -0.089 0.000 0.638 446 A CB -0.988 18.014 19.000 0.003 0.000 0.823 446 A HN 0.611 nan 8.150 nan 0.000 0.451 447 A N -0.687 122.051 122.820 -0.137 0.000 1.908 447 A HA -0.193 3.774 4.320 -0.587 0.000 0.218 447 A C 2.261 179.727 177.584 -0.197 0.000 1.181 447 A CA 1.632 53.578 52.037 -0.153 0.000 0.627 447 A CB -0.491 18.454 19.000 -0.092 0.000 0.818 447 A HN 0.553 nan 8.150 nan 0.000 0.445 448 R N -0.639 119.753 120.500 -0.178 0.000 2.148 448 R HA -0.078 3.909 4.340 -0.587 0.000 0.227 448 R C 2.046 178.230 176.300 -0.193 0.000 1.103 448 R CA 1.146 57.146 56.100 -0.166 0.000 0.983 448 R CB -0.237 29.974 30.300 -0.148 0.000 0.874 448 R HN 0.688 nan 8.270 nan 0.000 0.451 449 E N 0.701 120.750 120.200 -0.252 0.000 2.058 449 E HA -0.201 3.797 4.350 -0.587 0.000 0.194 449 E C 1.993 178.323 176.600 -0.451 0.000 0.997 449 E CA 1.197 57.440 56.400 -0.262 0.000 0.801 449 E CB -0.085 29.496 29.700 -0.198 0.000 0.746 449 E HN 0.299 nan 8.360 nan 0.000 0.450 450 I N 1.077 121.229 120.570 -0.696 0.000 2.226 450 I HA -0.306 3.512 4.170 -0.587 0.000 0.245 450 I C 2.419 178.211 176.117 -0.542 0.000 1.100 450 I CA 0.877 61.656 61.300 -0.868 0.000 1.374 450 I CB -0.215 37.300 38.000 -0.808 0.000 1.057 450 I HN 0.159 nan 8.210 nan 0.000 0.413 451 L N 0.025 121.055 121.223 -0.321 0.000 2.013 451 L HA -0.321 3.666 4.340 -0.587 0.000 0.212 451 L C 2.754 179.544 176.870 -0.133 0.000 1.073 451 L CA 2.102 56.829 54.840 -0.188 0.000 0.753 451 L CB -0.997 40.991 42.059 -0.117 0.000 0.890 451 L HN 0.404 nan 8.230 nan 0.000 0.432 452 H N -0.227 118.731 119.070 -0.187 0.000 2.421 452 H HA -0.100 4.103 4.556 -0.587 0.000 0.298 452 H C 2.043 177.310 175.328 -0.101 0.000 1.087 452 H CA 1.381 57.360 56.048 -0.114 0.000 1.330 452 H CB 0.141 29.854 29.762 -0.081 0.000 1.388 452 H HN 0.307 nan 8.280 nan 0.000 0.526 453 A N 0.455 123.140 122.820 -0.226 0.000 1.969 453 A HA -0.086 3.882 4.320 -0.587 0.000 0.218 453 A C 2.151 179.644 177.584 -0.151 0.000 1.169 453 A CA 1.481 53.400 52.037 -0.195 0.000 0.635 453 A CB -0.477 18.422 19.000 -0.170 0.000 0.810 453 A HN 0.551 nan 8.150 nan 0.000 0.445 454 M N -0.742 118.751 119.600 -0.179 0.000 2.628 454 M HA 0.165 4.293 4.480 -0.587 0.000 0.232 454 M C 1.155 177.403 176.300 -0.086 0.000 1.128 454 M CA 0.617 55.875 55.300 -0.070 0.000 1.040 454 M CB 0.026 32.590 32.600 -0.060 0.000 1.608 454 M HN 0.554 nan 8.290 nan 0.000 0.507 455 G N 1.748 110.452 108.800 -0.161 0.000 2.295 455 G HA2 -0.270 3.337 3.960 -0.587 0.000 0.287 455 G HA3 -0.270 3.337 3.960 -0.587 0.000 0.287 455 G C 0.675 175.529 174.900 -0.077 0.000 1.055 455 G CA 0.387 45.401 45.100 -0.142 0.000 0.922 455 G HN 0.520 nan 8.290 nan 0.000 0.503 456 K N -1.004 119.355 120.400 -0.069 0.000 2.354 456 K HA 0.352 4.320 4.320 -0.587 0.000 0.194 456 K C 1.074 177.665 176.600 -0.014 0.000 1.045 456 K CA 1.125 57.389 56.287 -0.038 0.000 1.026 456 K CB 0.512 32.985 32.500 -0.046 0.000 0.866 456 K HN 0.793 nan 8.250 nan 0.000 0.530 457 I N -2.091 118.485 120.570 0.009 0.000 2.913 457 I HA 0.416 4.233 4.170 -0.587 0.000 0.302 457 I C -3.021 173.180 176.117 0.140 0.000 1.246 457 I CA -2.834 58.495 61.300 0.049 0.000 1.010 457 I CB 2.183 40.202 38.000 0.032 0.000 1.259 457 I HN -0.239 nan 8.210 nan 0.000 0.434 458 P HA 0.095 nan 4.420 nan 0.000 0.274 458 P C 0.229 177.619 177.300 0.150 0.000 1.246 458 P CA -0.044 63.163 63.100 0.179 0.000 0.795 458 P CB 1.076 32.830 31.700 0.090 0.000 1.006 459 E N 0.817 121.036 120.200 0.032 0.000 2.058 459 E HA -0.315 3.682 4.350 -0.587 0.000 0.194 459 E C 1.288 177.838 176.600 -0.083 0.000 0.997 459 E CA 1.774 57.988 56.400 -0.310 0.000 0.801 459 E CB -0.518 29.029 29.700 -0.254 0.000 0.746 459 E HN 0.467 nan 8.360 nan 0.000 0.450 460 D N 0.324 120.724 120.400 -0.000 0.000 3.181 460 D HA -0.266 4.022 4.640 -0.587 0.000 0.190 460 D C 1.359 177.686 176.300 0.046 0.000 1.155 460 D CA 2.185 56.205 54.000 0.032 0.000 0.901 460 D CB -0.082 40.740 40.800 0.036 0.000 0.891 460 D HN 0.319 nan 8.370 nan 0.000 0.498 461 E N -1.615 118.602 120.200 0.027 0.000 2.476 461 E HA 0.200 4.198 4.350 -0.587 0.000 0.196 461 E C 1.637 178.239 176.600 0.002 0.000 1.029 461 E CA -0.280 56.137 56.400 0.027 0.000 0.896 461 E CB 0.331 30.044 29.700 0.023 0.000 1.012 461 E HN 0.432 nan 8.360 nan 0.000 0.475 462 I N -0.345 120.213 120.570 -0.020 0.000 2.193 462 I HA -0.124 3.694 4.170 -0.587 0.000 0.240 462 I C 0.359 176.359 176.117 -0.195 0.000 1.084 462 I CA 0.813 62.031 61.300 -0.136 0.000 1.365 462 I CB 0.056 37.934 38.000 -0.202 0.000 1.064 462 I HN 0.119 nan 8.210 nan 0.000 0.410 463 W N 2.219 123.513 121.300 -0.009 0.000 2.342 463 W HA 0.448 4.753 4.660 -0.591 0.000 0.310 463 W C 0.143 176.663 176.519 0.002 0.000 1.128 463 W CA -0.241 57.108 57.345 0.007 0.000 1.322 463 W CB 0.332 29.797 29.460 0.008 0.000 1.251 463 W HN 0.011 nan 8.180 nan 0.000 0.439 464 Q N 2.076 121.982 119.800 0.176 0.000 2.274 464 Q HA 0.408 4.396 4.340 -0.587 0.000 0.260 464 Q C 0.374 176.444 176.000 0.116 0.000 0.974 464 Q CA -0.517 55.355 55.803 0.115 0.000 0.876 464 Q CB 1.593 30.367 28.738 0.060 0.000 1.297 464 Q HN 0.534 nan 8.270 nan 0.000 0.446 465 S N 1.600 117.348 115.700 0.079 0.000 2.632 465 S HA 0.428 4.546 4.470 -0.587 0.000 0.267 465 S C -0.403 174.224 174.600 0.045 0.000 1.276 465 S CA -0.706 57.526 58.200 0.052 0.000 0.998 465 S CB 1.490 64.704 63.200 0.024 0.000 0.953 465 S HN 0.606 nan 8.310 nan 0.000 0.547 466 E N 0.821 121.044 120.200 0.038 0.000 2.224 466 E HA 0.572 4.569 4.350 -0.587 0.000 0.265 466 E C -2.838 173.780 176.600 0.030 0.000 0.878 466 E CA -2.060 54.364 56.400 0.041 0.000 0.759 466 E CB 1.047 30.782 29.700 0.059 0.000 1.164 466 E HN 0.550 nan 8.360 nan 0.000 0.414 467 P HA 0.066 nan 4.420 nan 0.000 0.268 467 P C -0.759 176.555 177.300 0.023 0.000 1.204 467 P CA -0.153 62.959 63.100 0.020 0.000 0.768 467 P CB 0.538 32.248 31.700 0.018 0.000 0.842 468 E N 2.197 122.409 120.200 0.019 0.000 2.413 468 E HA 0.079 4.077 4.350 -0.587 0.000 0.263 468 E C -0.075 176.535 176.600 0.017 0.000 1.015 468 E CA -0.371 56.042 56.400 0.021 0.000 0.916 468 E CB 0.439 30.149 29.700 0.016 0.000 0.947 468 E HN 0.362 nan 8.360 nan 0.000 0.440 469 S N 2.583 118.292 115.700 0.016 0.000 2.560 469 S HA -0.008 4.109 4.470 -0.587 0.000 0.284 469 S C 0.873 175.478 174.600 0.009 0.000 1.327 469 S CA -0.528 57.680 58.200 0.012 0.000 1.055 469 S CB 1.000 64.203 63.200 0.006 0.000 0.868 469 S HN 0.483 nan 8.310 nan 0.000 0.506 470 V N 3.902 123.822 119.914 0.011 0.000 2.599 470 V HA -0.014 3.753 4.120 -0.587 0.000 0.245 470 V C 1.826 177.924 176.094 0.008 0.000 1.046 470 V CA 1.577 63.883 62.300 0.009 0.000 1.065 470 V CB -0.438 31.391 31.823 0.011 0.000 0.703 470 V HN 0.865 nan 8.190 nan 0.000 0.464 471 D N 0.326 120.732 120.400 0.009 0.000 2.277 471 D HA -0.026 4.262 4.640 -0.587 0.000 0.208 471 D C 0.660 176.959 176.300 -0.002 0.000 0.962 471 D CA 1.010 55.015 54.000 0.008 0.000 0.865 471 D CB 0.528 41.337 40.800 0.016 0.000 0.939 471 D HN 0.400 nan 8.370 nan 0.000 0.510 472 V N 3.057 122.965 119.914 -0.009 0.000 2.405 472 V HA 0.177 3.944 4.120 -0.587 0.000 0.253 472 V C -2.365 173.718 176.094 -0.018 0.000 0.963 472 V CA -1.296 60.989 62.300 -0.024 0.000 1.003 472 V CB 1.081 32.874 31.823 -0.050 0.000 1.251 472 V HN -0.053 nan 8.190 nan 0.000 0.520 473 P HA 0.270 nan 4.420 nan 0.000 0.269 473 P C -0.280 177.017 177.300 -0.005 0.000 1.215 473 P CA 0.124 63.222 63.100 -0.003 0.000 0.780 473 P CB 1.380 33.080 31.700 -0.001 0.000 0.898 474 A N 2.409 125.230 122.820 0.002 0.000 2.294 474 A HA 0.246 4.214 4.320 -0.587 0.000 0.316 474 A C 0.295 177.881 177.584 0.004 0.000 1.359 474 A CA -0.413 51.627 52.037 0.006 0.000 0.956 474 A CB -0.233 18.780 19.000 0.022 0.000 1.155 474 A HN 0.426 nan 8.150 nan 0.000 0.544 475 Q N 3.083 122.882 119.800 -0.001 0.000 2.263 475 Q HA 0.231 4.219 4.340 -0.587 0.000 0.289 475 Q C -1.934 174.066 176.000 -0.000 0.000 1.061 475 Q CA -0.657 55.145 55.803 -0.001 0.000 0.927 475 Q CB 0.467 29.202 28.738 -0.004 0.000 1.154 475 Q HN 0.582 nan 8.270 nan 0.000 0.378 476 P HA 0.117 nan 4.420 nan 0.000 0.274 476 P C -0.642 176.653 177.300 -0.008 0.000 1.246 476 P CA -0.257 62.840 63.100 -0.004 0.000 0.795 476 P CB 0.799 32.495 31.700 -0.005 0.000 1.006 477 I N 1.267 121.829 120.570 -0.014 0.000 2.353 477 I HA 0.258 4.076 4.170 -0.587 0.000 0.293 477 I C 1.016 177.123 176.117 -0.017 0.000 0.992 477 I CA -0.014 61.276 61.300 -0.017 0.000 1.268 477 I CB 0.931 38.913 38.000 -0.029 0.000 1.387 477 I HN 0.443 nan 8.210 nan 0.000 0.478 478 T N 1.398 115.945 114.554 -0.011 0.000 2.916 478 T HA 0.773 4.770 4.350 -0.587 0.000 0.292 478 T C -0.178 174.514 174.700 -0.013 0.000 1.055 478 T CA -0.734 61.361 62.100 -0.008 0.000 1.009 478 T CB 2.131 71.001 68.868 0.003 0.000 1.118 478 T HN 0.651 nan 8.240 nan 0.000 0.497 479 T N -1.070 113.474 114.554 -0.016 0.000 2.876 479 T HA 0.571 4.569 4.350 -0.587 0.000 0.289 479 T C 0.019 174.722 174.700 0.005 0.000 1.014 479 T CA -0.770 61.313 62.100 -0.028 0.000 0.986 479 T CB 1.191 70.020 68.868 -0.066 0.000 1.021 479 T HN 0.672 nan 8.240 nan 0.000 0.458 480 T N 2.661 117.222 114.554 0.012 0.000 2.932 480 T HA 0.112 4.109 4.350 -0.587 0.000 0.312 480 T C 0.863 175.621 174.700 0.096 0.000 1.071 480 T CA -0.215 61.925 62.100 0.066 0.000 1.128 480 T CB 0.046 68.950 68.868 0.059 0.000 0.984 480 T HN 0.608 nan 8.240 nan 0.000 0.549 481 F N 2.249 122.216 119.950 0.028 0.000 2.091 481 F HA -0.144 4.032 4.527 -0.587 0.000 0.299 481 F C 1.949 177.805 175.800 0.092 0.000 1.103 481 F CA 1.569 59.617 58.000 0.080 0.000 1.228 481 F CB -0.348 38.705 39.000 0.088 0.000 0.984 481 F HN 0.501 nan 8.300 nan 0.000 0.477 482 L N 0.006 121.335 121.223 0.177 0.000 2.046 482 L HA -0.219 3.769 4.340 -0.587 0.000 0.208 482 L C 2.447 179.292 176.870 -0.042 0.000 1.077 482 L CA 1.660 56.546 54.840 0.077 0.000 0.747 482 L CB -0.661 41.493 42.059 0.159 0.000 0.896 482 L HN 0.199 nan 8.230 nan 0.000 0.432 483 E N -0.306 119.864 120.200 -0.050 0.000 2.085 483 E HA -0.263 3.735 4.350 -0.587 0.000 0.194 483 E C 2.298 178.771 176.600 -0.211 0.000 0.994 483 E CA 1.122 57.449 56.400 -0.122 0.000 0.801 483 E CB -0.043 29.589 29.700 -0.114 0.000 0.743 483 E HN 0.357 nan 8.360 nan 0.000 0.453 484 R N -0.637 119.688 120.500 -0.293 0.000 2.189 484 R HA -0.064 3.923 4.340 -0.587 0.000 0.223 484 R C 1.438 177.321 176.300 -0.696 0.000 1.092 484 R CA 0.907 56.707 56.100 -0.500 0.000 0.989 484 R CB 0.181 30.109 30.300 -0.620 0.000 0.876 484 R HN 0.261 nan 8.270 nan 0.000 0.457 485 H N -1.586 117.281 119.070 -0.338 0.000 3.360 485 H HA 0.178 4.381 4.556 -0.587 0.000 0.262 485 H C -0.056 175.146 175.328 -0.210 0.000 1.149 485 H CA -0.235 55.612 56.048 -0.336 0.000 1.181 485 H CB 0.522 29.926 29.762 -0.597 0.000 1.564 485 H HN 0.008 nan 8.280 nan 0.000 0.565 486 L N 4.558 125.736 121.223 -0.076 0.000 2.490 486 L HA 0.059 4.047 4.340 -0.587 0.000 0.274 486 L C -1.573 175.259 176.870 -0.064 0.000 1.201 486 L CA -1.331 53.484 54.840 -0.042 0.000 0.869 486 L CB 0.243 42.285 42.059 -0.028 0.000 1.123 486 L HN -0.017 nan 8.230 nan 0.000 0.484 487 P HA 0.037 nan 4.420 nan 0.000 0.269 487 P C -0.562 176.676 177.300 -0.103 0.000 1.217 487 P CA -0.440 62.617 63.100 -0.073 0.000 0.783 487 P CB 0.580 32.240 31.700 -0.066 0.000 0.898 488 S N 0.094 115.718 115.700 -0.127 0.000 2.634 488 S HA 0.133 4.250 4.470 -0.587 0.000 0.261 488 S C 1.483 175.939 174.600 -0.240 0.000 1.271 488 S CA -0.708 57.393 58.200 -0.165 0.000 0.985 488 S CB 0.020 63.124 63.200 -0.160 0.000 0.968 488 S HN 0.216 nan 8.310 nan 0.000 0.568 489 V N 2.419 122.130 119.914 -0.338 0.000 2.295 489 V HA -0.074 3.693 4.120 -0.587 0.000 0.246 489 V C -0.441 175.249 176.094 -0.674 0.000 1.049 489 V CA 1.885 63.910 62.300 -0.460 0.000 1.024 489 V CB -1.822 29.727 31.823 -0.456 0.000 0.648 489 V HN 0.797 nan 8.190 nan 0.000 0.447 490 P HA -0.135 nan 4.420 nan 0.000 0.215 490 P C 1.790 178.881 177.300 -0.348 0.000 1.153 490 P CA 2.073 64.725 63.100 -0.747 0.000 0.853 490 P CB -0.360 31.008 31.700 -0.554 0.000 0.788 491 G N 0.311 108.955 108.800 -0.260 0.000 2.450 491 G HA2 -0.249 3.359 3.960 -0.587 0.000 0.220 491 G HA3 -0.249 3.359 3.960 -0.587 0.000 0.220 491 G C 1.564 176.385 174.900 -0.131 0.000 1.130 491 G CA 0.660 45.669 45.100 -0.152 0.000 0.760 491 G HN 0.273 nan 8.290 nan 0.000 0.557 492 L N 0.111 121.239 121.223 -0.158 0.000 2.072 492 L HA 0.227 4.215 4.340 -0.587 0.000 0.205 492 L C 2.671 179.476 176.870 -0.109 0.000 1.079 492 L CA 1.030 55.803 54.840 -0.113 0.000 0.752 492 L CB -0.210 41.785 42.059 -0.105 0.000 0.906 492 L HN 0.162 nan 8.230 nan 0.000 0.436 493 L N -0.655 120.472 121.223 -0.160 0.000 2.131 493 L HA -0.221 3.767 4.340 -0.587 0.000 0.210 493 L C 2.778 179.601 176.870 -0.078 0.000 1.092 493 L CA 1.366 56.134 54.840 -0.121 0.000 0.759 493 L CB -0.537 41.422 42.059 -0.167 0.000 0.903 493 L HN 0.330 nan 8.230 nan 0.000 0.435 494 R N 0.344 120.792 120.500 -0.086 0.000 2.061 494 R HA -0.167 3.820 4.340 -0.587 0.000 0.230 494 R C 2.362 178.639 176.300 -0.039 0.000 1.140 494 R CA 1.296 57.365 56.100 -0.051 0.000 0.940 494 R CB -0.291 29.979 30.300 -0.051 0.000 0.839 494 R HN 0.151 nan 8.270 nan 0.000 0.429 495 L N 0.661 121.857 121.223 -0.046 0.000 2.189 495 L HA -0.177 3.810 4.340 -0.587 0.000 0.214 495 L C 2.196 179.053 176.870 -0.023 0.000 1.097 495 L CA 1.413 56.234 54.840 -0.031 0.000 0.764 495 L CB -0.156 41.883 42.059 -0.033 0.000 0.900 495 L HN 0.335 nan 8.230 nan 0.000 0.436 496 I N -1.777 118.778 120.570 -0.025 0.000 3.603 496 I HA 0.047 3.865 4.170 -0.587 0.000 0.297 496 I C 1.904 178.015 176.117 -0.011 0.000 1.269 496 I CA 0.599 61.890 61.300 -0.016 0.000 1.361 496 I CB 0.017 38.008 38.000 -0.015 0.000 1.063 496 I HN 0.158 nan 8.210 nan 0.000 0.448 497 G N 0.338 109.130 108.800 -0.013 0.000 2.985 497 G HA2 -0.022 3.586 3.960 -0.587 0.000 0.209 497 G HA3 -0.022 3.586 3.960 -0.587 0.000 0.209 497 G C 1.045 175.942 174.900 -0.005 0.000 1.165 497 G CA -0.041 45.056 45.100 -0.006 0.000 0.776 497 G HN 0.349 nan 8.290 nan 0.000 0.541 498 L N 0.134 121.353 121.223 -0.007 0.000 2.728 498 L HA 0.319 4.307 4.340 -0.587 0.000 0.238 498 L C 2.057 178.925 176.870 -0.003 0.000 1.143 498 L CA 0.531 55.368 54.840 -0.005 0.000 0.937 498 L CB 0.518 42.573 42.059 -0.007 0.000 1.225 498 L HN 0.064 nan 8.230 nan 0.000 0.507 499 T N -2.274 112.278 114.554 -0.003 0.000 3.033 499 T HA 0.178 4.175 4.350 -0.587 0.000 0.248 499 T C 0.854 175.554 174.700 0.000 0.000 1.040 499 T CA 0.640 62.739 62.100 -0.001 0.000 1.133 499 T CB 0.178 69.046 68.868 -0.001 0.000 0.895 499 T HN 0.216 nan 8.240 nan 0.000 0.465 500 T N 0.000 114.554 114.554 0.001 0.000 3.816 500 T HA 0.000 3.998 4.350 -0.587 0.000 0.228 500 T CA 0.000 62.102 62.100 0.002 0.000 1.349 500 T CB 0.000 68.870 68.868 0.004 0.000 0.612 500 T HN 0.000 nan 8.240 nan 0.000 0.658