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_F 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 0.000 176.640 176.600 0.066 0.000 0.988 4 K CA 0.000 56.315 56.287 0.047 0.000 0.838 4 K CB 0.000 32.511 32.500 0.018 0.000 1.064 5 C N -0.474 118.866 119.300 0.066 0.000 2.925 5 C HA 0.120 4.579 4.460 -0.000 0.000 0.364 5 C C 0.658 175.689 174.990 0.068 0.000 1.118 5 C CA -1.099 57.962 59.018 0.073 0.000 1.075 5 C CB 0.318 28.117 27.740 0.098 0.000 1.398 5 C HN 0.961 nan 8.230 nan 0.000 0.543 6 D N 0.317 120.757 120.400 0.067 0.000 2.077 6 D HA -0.010 4.630 4.640 -0.000 0.000 0.196 6 D C 0.532 176.902 176.300 0.118 0.000 0.986 6 D CA 1.801 55.852 54.000 0.084 0.000 0.829 6 D CB 0.313 41.159 40.800 0.076 0.000 0.983 6 D HN 0.465 nan 8.370 nan 0.000 0.453 7 V N 1.498 121.472 119.914 0.099 0.000 2.487 7 V HA 0.243 4.362 4.120 -0.000 0.000 0.298 7 V C -0.019 176.114 176.094 0.065 0.000 1.028 7 V CA -0.709 61.651 62.300 0.101 0.000 0.860 7 V CB 2.588 34.448 31.823 0.061 0.000 0.991 7 V HN -0.207 nan 8.190 nan 0.000 0.427 8 V N 5.687 125.636 119.914 0.059 0.000 2.383 8 V HA 0.342 4.462 4.120 -0.000 0.000 0.275 8 V C -0.024 176.072 176.094 0.003 0.000 1.036 8 V CA -0.403 61.906 62.300 0.016 0.000 0.889 8 V CB 1.839 33.667 31.823 0.009 0.000 0.985 8 V HN 0.628 nan 8.190 nan 0.000 0.459 9 V N 6.774 126.677 119.914 -0.019 0.000 2.364 9 V HA 0.294 4.413 4.120 -0.000 0.000 0.272 9 V C 0.096 176.172 176.094 -0.030 0.000 1.036 9 V CA -0.430 61.862 62.300 -0.013 0.000 0.880 9 V CB 1.613 33.430 31.823 -0.010 0.000 0.991 9 V HN 0.604 nan 8.190 nan 0.000 0.460 10 V N 4.420 124.330 119.914 -0.007 0.000 2.432 10 V HA 0.828 4.948 4.120 -0.000 0.000 0.275 10 V C 0.676 176.784 176.094 0.022 0.000 1.043 10 V CA 0.381 62.678 62.300 -0.005 0.000 0.925 10 V CB 0.787 32.624 31.823 0.025 0.000 0.985 10 V HN 1.228 nan 8.190 nan 0.000 0.466 11 G N 3.608 112.411 108.800 0.004 0.000 3.448 11 G HA2 0.123 4.082 3.960 -0.000 0.000 0.685 11 G HA3 0.123 4.082 3.960 -0.000 0.000 0.685 11 G C 0.249 175.156 174.900 0.011 0.000 1.151 11 G CA -0.446 44.669 45.100 0.025 0.000 1.023 11 G HN 1.251 nan 8.290 nan 0.000 0.499 12 G N 0.636 109.437 108.800 0.001 0.000 3.371 12 G HA2 0.598 4.558 3.960 -0.000 0.000 0.248 12 G HA3 0.598 4.558 3.960 -0.000 0.000 0.248 12 G C 1.040 175.953 174.900 0.020 0.000 1.161 12 G CA 1.015 46.113 45.100 -0.002 0.000 0.796 12 G HN 1.288 nan 8.290 nan 0.000 0.539 13 G N 0.086 108.912 108.800 0.043 0.000 2.508 13 G HA2 0.335 4.294 3.960 -0.000 0.000 0.278 13 G HA3 0.335 4.294 3.960 -0.000 0.000 0.278 13 G C 1.143 176.072 174.900 0.049 0.000 1.389 13 G CA -0.673 44.461 45.100 0.058 0.000 1.050 13 G HN 0.081 nan 8.290 nan 0.000 0.522 14 I N -0.584 120.020 120.570 0.056 0.000 2.208 14 I HA -0.201 3.968 4.170 -0.000 0.000 0.245 14 I C 3.030 179.177 176.117 0.050 0.000 1.097 14 I CA 1.573 62.901 61.300 0.046 0.000 1.363 14 I CB -0.145 37.888 38.000 0.055 0.000 1.051 14 I HN 0.459 nan 8.210 nan 0.000 0.413 15 S N 0.605 116.346 115.700 0.069 0.000 2.356 15 S HA -0.133 4.336 4.470 -0.000 0.000 0.223 15 S C 2.126 176.758 174.600 0.054 0.000 1.032 15 S CA 1.635 59.879 58.200 0.073 0.000 1.005 15 S CB -0.658 62.603 63.200 0.101 0.000 0.867 15 S HN 0.571 nan 8.310 nan 0.000 0.449 16 G N 1.980 110.810 108.800 0.051 0.000 2.446 16 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 16 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 16 G C 1.474 176.382 174.900 0.014 0.000 1.168 16 G CA 1.255 46.374 45.100 0.032 0.000 0.771 16 G HN 0.409 nan 8.290 nan 0.000 0.551 17 M N 1.293 120.899 119.600 0.009 0.000 2.067 17 M HA 0.023 4.502 4.480 -0.000 0.000 0.260 17 M C 3.092 179.389 176.300 -0.005 0.000 1.069 17 M CA 1.400 56.696 55.300 -0.006 0.000 1.117 17 M CB -1.628 30.965 32.600 -0.012 0.000 1.334 17 M HN 0.306 nan 8.290 nan 0.000 0.407 18 A N 0.386 123.210 122.820 0.005 0.000 1.958 18 A HA -0.111 4.209 4.320 -0.000 0.000 0.221 18 A C 2.450 180.036 177.584 0.004 0.000 1.178 18 A CA 2.640 54.680 52.037 0.006 0.000 0.642 18 A CB -0.923 18.089 19.000 0.020 0.000 0.816 18 A HN 0.540 nan 8.150 nan 0.000 0.453 19 A N -0.615 122.208 122.820 0.004 0.000 1.861 19 A HA 0.334 4.654 4.320 -0.000 0.000 0.212 19 A C 2.539 180.122 177.584 -0.002 0.000 1.199 19 A CA 1.693 53.727 52.037 -0.005 0.000 0.613 19 A CB -1.186 17.812 19.000 -0.003 0.000 0.846 19 A HN 1.157 nan 8.150 nan 0.000 0.446 20 A N 0.156 122.977 122.820 0.000 0.000 1.927 20 A HA -0.273 4.047 4.320 -0.000 0.000 0.220 20 A C 2.139 179.739 177.584 0.027 0.000 1.185 20 A CA 2.369 54.409 52.037 0.006 0.000 0.639 20 A CB -0.538 18.455 19.000 -0.012 0.000 0.820 20 A HN 0.583 nan 8.150 nan 0.000 0.451 21 K N -0.857 119.549 120.400 0.010 0.000 2.025 21 K HA -0.101 4.219 4.320 -0.000 0.000 0.207 21 K C 1.971 178.608 176.600 0.062 0.000 1.049 21 K CA 1.463 57.767 56.287 0.029 0.000 0.933 21 K CB -0.324 32.175 32.500 -0.002 0.000 0.714 21 K HN 0.339 nan 8.250 nan 0.000 0.438 22 L N 1.494 122.732 121.223 0.026 0.000 2.042 22 L HA -0.178 4.161 4.340 -0.000 0.000 0.210 22 L C 2.026 178.903 176.870 0.012 0.000 1.076 22 L CA 1.467 56.315 54.840 0.012 0.000 0.749 22 L CB -0.188 41.864 42.059 -0.013 0.000 0.893 22 L HN 0.239 nan 8.230 nan 0.000 0.432 23 L N -1.678 119.553 121.223 0.014 0.000 2.044 23 L HA -0.224 4.116 4.340 -0.000 0.000 0.205 23 L C 2.589 179.478 176.870 0.032 0.000 1.075 23 L CA 1.496 56.337 54.840 0.003 0.000 0.747 23 L CB -0.889 41.168 42.059 -0.004 0.000 0.903 23 L HN 0.395 nan 8.230 nan 0.000 0.435 24 H N 0.384 119.442 119.070 -0.021 0.000 2.352 24 H HA -0.218 4.337 4.556 -0.001 0.000 0.299 24 H C 1.728 177.048 175.328 -0.014 0.000 1.097 24 H CA 2.086 58.126 56.048 -0.014 0.000 1.311 24 H CB 0.052 29.807 29.762 -0.011 0.000 1.377 24 H HN 0.223 nan 8.280 nan 0.000 0.504 25 D N -0.663 119.778 120.400 0.068 0.000 2.263 25 D HA -0.069 4.570 4.640 -0.000 0.000 0.208 25 D C 1.285 177.552 176.300 -0.055 0.000 0.971 25 D CA 1.084 55.090 54.000 0.009 0.000 0.867 25 D CB -0.076 40.752 40.800 0.046 0.000 0.929 25 D HN 0.301 nan 8.370 nan 0.000 0.492 26 S N -1.031 114.635 115.700 -0.057 0.000 2.582 26 S HA 0.348 4.818 4.470 -0.000 0.000 0.234 26 S C 1.270 175.824 174.600 -0.076 0.000 0.961 26 S CA 0.268 58.434 58.200 -0.056 0.000 0.953 26 S CB 0.777 63.951 63.200 -0.043 0.000 0.800 26 S HN 0.367 nan 8.310 nan 0.000 0.471 27 G N 1.677 110.402 108.800 -0.125 0.000 2.160 27 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.244 27 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.244 27 G C -0.144 174.698 174.900 -0.095 0.000 1.022 27 G CA -0.119 44.903 45.100 -0.130 0.000 0.741 27 G HN 0.466 nan 8.290 nan 0.000 0.508 28 L N -0.028 121.146 121.223 -0.082 0.000 2.344 28 L HA 0.463 4.803 4.340 -0.000 0.000 0.272 28 L C 0.098 176.962 176.870 -0.010 0.000 1.035 28 L CA -1.218 53.602 54.840 -0.032 0.000 0.807 28 L CB 1.096 43.147 42.059 -0.014 0.000 1.237 28 L HN 0.026 nan 8.230 nan 0.000 0.442 29 N N 2.243 120.954 118.700 0.018 0.000 2.406 29 N HA 0.276 5.016 4.740 -0.000 0.000 0.251 29 N C -0.407 175.143 175.510 0.067 0.000 1.069 29 N CA -0.093 52.987 53.050 0.049 0.000 0.947 29 N CB 1.680 40.194 38.487 0.045 0.000 1.111 29 N HN 0.354 nan 8.380 nan 0.000 0.497 30 V N -0.029 119.939 119.914 0.090 0.000 3.177 30 V HA 0.788 4.908 4.120 -0.000 0.000 0.319 30 V C 0.097 176.226 176.094 0.058 0.000 1.125 30 V CA -0.736 61.606 62.300 0.070 0.000 1.029 30 V CB 2.035 33.898 31.823 0.066 0.000 1.119 30 V HN 0.212 nan 8.190 nan 0.000 0.452 31 V N 0.699 120.629 119.914 0.026 0.000 2.817 31 V HA 0.458 4.578 4.120 -0.000 0.000 0.303 31 V C -0.875 175.184 176.094 -0.058 0.000 1.151 31 V CA -0.350 61.945 62.300 -0.008 0.000 0.929 31 V CB 2.295 34.122 31.823 0.007 0.000 1.030 31 V HN 0.852 nan 8.190 nan 0.000 0.427 32 V N 6.479 126.350 119.914 -0.072 0.000 2.370 32 V HA 0.518 4.637 4.120 -0.000 0.000 0.283 32 V C -0.268 175.745 176.094 -0.135 0.000 1.023 32 V CA -0.467 61.783 62.300 -0.084 0.000 0.857 32 V CB 1.592 33.382 31.823 -0.056 0.000 0.985 32 V HN 0.617 nan 8.190 nan 0.000 0.443 33 L N 4.661 125.784 121.223 -0.167 0.000 2.287 33 L HA 0.682 5.021 4.340 -0.000 0.000 0.287 33 L C -0.299 176.487 176.870 -0.139 0.000 1.022 33 L CA -0.358 54.357 54.840 -0.209 0.000 0.814 33 L CB 1.603 43.486 42.059 -0.295 0.000 1.217 33 L HN 0.646 nan 8.230 nan 0.000 0.420 34 E N 2.331 122.451 120.200 -0.132 0.000 2.246 34 E HA 0.522 4.872 4.350 -0.000 0.000 0.266 34 E C 0.010 176.504 176.600 -0.176 0.000 0.880 34 E CA -0.349 55.976 56.400 -0.125 0.000 0.762 34 E CB 2.065 31.713 29.700 -0.087 0.000 1.180 34 E HN 0.542 nan 8.360 nan 0.000 0.416 35 A N 5.288 127.945 122.820 -0.273 0.000 1.898 35 A HA 0.019 4.338 4.320 -0.000 0.000 0.216 35 A C 1.230 178.583 177.584 -0.385 0.000 1.181 35 A CA 0.889 52.642 52.037 -0.472 0.000 0.620 35 A CB -0.195 18.185 19.000 -1.032 0.000 0.819 35 A HN 0.588 nan 8.150 nan 0.000 0.442 36 R N -0.010 120.322 120.500 -0.281 0.000 2.652 36 R HA 0.167 4.507 4.340 -0.000 0.000 0.271 36 R C -0.007 176.231 176.300 -0.102 0.000 1.129 36 R CA 0.297 56.306 56.100 -0.151 0.000 1.200 36 R CB 0.121 30.369 30.300 -0.087 0.000 1.146 36 R HN 0.511 nan 8.270 nan 0.000 0.581 37 D N 0.471 120.827 120.400 -0.072 0.000 2.352 37 D HA 0.000 4.640 4.640 -0.000 0.000 0.236 37 D C -0.471 175.805 176.300 -0.040 0.000 1.148 37 D CA -0.107 53.863 54.000 -0.050 0.000 0.844 37 D CB -0.058 40.720 40.800 -0.035 0.000 0.933 37 D HN 0.398 nan 8.370 nan 0.000 0.507 38 R N -1.448 119.025 120.500 -0.045 0.000 2.663 38 R HA 0.538 4.878 4.340 -0.000 0.000 0.267 38 R C -0.454 175.838 176.300 -0.013 0.000 1.038 38 R CA -1.146 54.941 56.100 -0.021 0.000 0.886 38 R CB 1.004 31.286 30.300 -0.031 0.000 1.249 38 R HN -0.094 nan 8.270 nan 0.000 0.463 39 V N -0.867 119.051 119.914 0.008 0.000 3.441 39 V HA 0.857 4.977 4.120 -0.000 0.000 0.300 39 V C 0.998 177.124 176.094 0.054 0.000 1.062 39 V CA 0.706 63.016 62.300 0.017 0.000 1.064 39 V CB 0.755 32.582 31.823 0.007 0.000 1.197 39 V HN 1.179 nan 8.190 nan 0.000 0.451 40 G N -1.000 107.840 108.800 0.067 0.000 2.491 40 G HA2 0.192 4.152 3.960 -0.000 0.000 0.203 40 G HA3 0.192 4.152 3.960 -0.000 0.000 0.203 40 G C 1.669 176.648 174.900 0.131 0.000 1.052 40 G CA 0.823 45.988 45.100 0.108 0.000 0.675 40 G HN 2.611 nan 8.290 nan 0.000 0.504 41 G N 0.617 109.501 108.800 0.140 0.000 2.620 41 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.315 41 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.315 41 G C 0.904 175.959 174.900 0.259 0.000 1.179 41 G CA 1.422 46.627 45.100 0.176 0.000 0.971 41 G HN 1.175 nan 8.290 nan 0.000 0.544 42 R N 1.944 122.505 120.500 0.102 0.000 2.320 42 R HA 0.271 4.611 4.340 -0.000 0.000 0.211 42 R C 0.772 176.984 176.300 -0.148 0.000 0.931 42 R CA 0.926 56.910 56.100 -0.193 0.000 1.071 42 R CB 0.007 30.167 30.300 -0.234 0.000 1.025 42 R HN 0.699 nan 8.270 nan 0.000 0.495 43 T N -2.260 112.354 114.554 0.100 0.000 2.824 43 T HA 0.375 4.725 4.350 -0.000 0.000 0.280 43 T C -1.016 173.918 174.700 0.390 0.000 0.995 43 T CA -0.656 61.557 62.100 0.189 0.000 1.009 43 T CB 1.766 70.715 68.868 0.135 0.000 0.955 43 T HN 0.052 nan 8.240 nan 0.000 0.452 44 Y N 1.189 121.647 120.300 0.263 0.000 2.358 44 Y HA 0.465 5.014 4.550 -0.000 0.000 0.324 44 Y C -1.257 174.757 175.900 0.191 0.000 1.123 44 Y CA -1.096 57.151 58.100 0.244 0.000 1.067 44 Y CB 1.710 40.368 38.460 0.331 0.000 1.230 44 Y HN 0.853 nan 8.280 nan 0.000 0.429 45 T N 8.020 122.585 114.554 0.018 0.000 2.801 45 T HA 0.362 4.711 4.350 -0.000 0.000 0.306 45 T C -0.732 173.771 174.700 -0.328 0.000 1.020 45 T CA -0.375 61.653 62.100 -0.120 0.000 0.948 45 T CB 0.308 69.187 68.868 0.018 0.000 0.962 45 T HN 0.564 nan 8.240 nan 0.000 0.465 46 L N 4.910 125.860 121.223 -0.455 0.000 2.367 46 L HA 0.474 4.814 4.340 -0.000 0.000 0.275 46 L C 0.035 176.834 176.870 -0.119 0.000 1.129 46 L CA 0.205 54.820 54.840 -0.376 0.000 0.839 46 L CB 0.267 42.126 42.059 -0.333 0.000 1.133 46 L HN 0.510 nan 8.230 nan 0.000 0.453 47 R N 4.065 124.529 120.500 -0.060 0.000 2.480 47 R HA 0.605 4.945 4.340 -0.000 0.000 0.306 47 R C -1.166 175.121 176.300 -0.021 0.000 0.958 47 R CA -0.715 55.376 56.100 -0.015 0.000 0.861 47 R CB 1.362 31.671 30.300 0.014 0.000 1.171 47 R HN 0.892 nan 8.270 nan 0.000 0.445 48 N N -0.370 118.303 118.700 -0.044 0.000 3.227 48 N HA -0.014 4.725 4.740 -0.000 0.000 0.241 48 N C -0.094 175.369 175.510 -0.079 0.000 1.480 48 N CA -0.817 52.203 53.050 -0.049 0.000 0.886 48 N CB 0.723 39.185 38.487 -0.042 0.000 1.406 48 N HN 0.194 nan 8.380 nan 0.000 0.514 49 Q N -0.319 119.439 119.800 -0.070 0.000 2.119 49 Q HA 0.052 4.391 4.340 -0.000 0.000 0.201 49 Q C 0.548 176.519 176.000 -0.048 0.000 0.972 49 Q CA 1.086 56.861 55.803 -0.048 0.000 0.847 49 Q CB -0.042 28.672 28.738 -0.039 0.000 0.903 49 Q HN 0.522 nan 8.270 nan 0.000 0.433 50 K N -0.039 120.253 120.400 -0.180 0.000 2.365 50 K HA 0.004 4.324 4.320 -0.000 0.000 0.199 50 K C 1.559 178.035 176.600 -0.206 0.000 1.045 50 K CA 0.393 56.509 56.287 -0.285 0.000 0.962 50 K CB 0.435 32.450 32.500 -0.807 0.000 0.759 50 K HN 0.031 nan 8.250 nan 0.000 0.469 51 V N -0.601 119.164 119.914 -0.248 0.000 3.497 51 V HA -0.009 4.111 4.120 -0.000 0.000 0.272 51 V C 1.054 176.774 176.094 -0.623 0.000 1.474 51 V CA 0.500 62.550 62.300 -0.417 0.000 1.025 51 V CB 0.282 31.911 31.823 -0.323 0.000 0.820 51 V HN 0.280 nan 8.190 nan 0.000 0.437 52 K N 0.709 120.808 120.400 -0.502 0.000 11.088 52 K HA -0.301 4.018 4.320 -0.000 0.000 0.518 52 K C 0.060 176.555 176.600 -0.175 0.000 0.411 52 K CA 2.554 58.587 56.287 -0.423 0.000 1.873 52 K CB -1.115 30.914 32.500 -0.785 0.000 0.794 52 K HN 0.640 nan 8.250 nan 0.000 1.246 53 Y N -1.602 118.550 120.300 -0.247 0.000 2.524 53 Y HA 0.757 5.307 4.550 -0.000 0.000 0.347 53 Y C -1.147 174.699 175.900 -0.089 0.000 1.005 53 Y CA -0.915 57.102 58.100 -0.138 0.000 1.025 53 Y CB 2.114 40.519 38.460 -0.092 0.000 1.275 53 Y HN 0.057 nan 8.280 nan 0.000 0.460 54 V N 2.635 122.588 119.914 0.066 0.000 2.733 54 V HA 0.341 4.461 4.120 -0.000 0.000 0.306 54 V C -1.462 174.669 176.094 0.061 0.000 1.084 54 V CA -0.707 61.630 62.300 0.061 0.000 0.905 54 V CB 1.952 33.821 31.823 0.076 0.000 1.010 54 V HN 0.917 nan 8.190 nan 0.000 0.424 55 D N 5.945 126.399 120.400 0.090 0.000 2.344 55 D HA 0.242 4.881 4.640 -0.000 0.000 0.253 55 D C 0.951 177.311 176.300 0.100 0.000 1.255 55 D CA 0.194 54.238 54.000 0.073 0.000 0.894 55 D CB 1.666 42.491 40.800 0.042 0.000 1.067 55 D HN 0.470 nan 8.370 nan 0.000 0.492 56 L N 1.434 122.735 121.223 0.130 0.000 2.492 56 L HA 0.145 4.485 4.340 -0.000 0.000 0.223 56 L C 1.545 178.763 176.870 0.580 0.000 1.132 56 L CA 0.206 55.213 54.840 0.277 0.000 0.850 56 L CB 0.225 42.406 42.059 0.204 0.000 0.966 56 L HN 0.328 nan 8.230 nan 0.000 0.454 57 G N -1.011 108.074 108.800 0.475 0.000 3.286 57 G HA2 0.436 4.395 3.960 -0.000 0.000 0.166 57 G HA3 0.436 4.395 3.960 -0.000 0.000 0.166 57 G C -0.212 174.749 174.900 0.102 0.000 1.155 57 G CA 0.018 45.310 45.100 0.320 0.000 0.871 57 G HN 0.090 nan 8.290 nan 0.000 0.637 58 G N -0.773 108.026 108.800 -0.001 0.000 2.441 58 G HA2 0.401 4.361 3.960 -0.000 0.000 0.243 58 G HA3 0.401 4.361 3.960 -0.000 0.000 0.243 58 G C 0.368 175.266 174.900 -0.002 0.000 1.281 58 G CA 0.915 46.004 45.100 -0.018 0.000 0.854 58 G HN 0.796 nan 8.290 nan 0.000 0.560 59 S N 0.778 116.434 115.700 -0.073 0.000 3.552 59 S HA 0.197 4.666 4.470 -0.000 0.000 0.251 59 S C -0.072 174.294 174.600 -0.390 0.000 1.119 59 S CA -0.284 57.762 58.200 -0.256 0.000 0.830 59 S CB -0.173 62.734 63.200 -0.488 0.000 0.946 59 S HN 0.471 nan 8.310 nan 0.000 0.470 60 Y N 2.898 123.152 120.300 -0.077 0.000 2.304 60 Y HA 0.542 5.091 4.550 -0.000 0.000 0.327 60 Y C 0.229 175.986 175.900 -0.238 0.000 1.209 60 Y CA -0.481 57.519 58.100 -0.167 0.000 1.299 60 Y CB 0.955 39.356 38.460 -0.100 0.000 1.249 60 Y HN 0.122 nan 8.280 nan 0.000 0.519 61 V N -0.526 119.252 119.914 -0.228 0.000 2.925 61 V HA 1.072 5.192 4.120 -0.000 0.000 0.311 61 V C -0.373 175.518 176.094 -0.338 0.000 1.104 61 V CA -0.613 61.478 62.300 -0.349 0.000 0.954 61 V CB 1.563 33.099 31.823 -0.479 0.000 1.022 61 V HN 0.964 nan 8.190 nan 0.000 0.427 62 G N 1.614 110.166 108.800 -0.413 0.000 2.725 62 G HA2 0.818 4.778 3.960 -0.000 0.000 0.288 62 G HA3 0.818 4.778 3.960 -0.000 0.000 0.288 62 G C -3.272 171.457 174.900 -0.285 0.000 1.399 62 G CA -1.722 43.180 45.100 -0.330 0.000 0.859 62 G HN 0.713 nan 8.290 nan 0.000 0.479 63 P HA 0.058 nan 4.420 nan 0.000 0.265 63 P C 0.765 178.029 177.300 -0.060 0.000 1.187 63 P CA 1.844 64.889 63.100 -0.091 0.000 0.766 63 P CB 0.947 32.620 31.700 -0.045 0.000 0.820 64 T N -1.438 113.122 114.554 0.009 0.000 7.013 64 T HA -0.249 4.101 4.350 -0.000 0.000 0.288 64 T C 0.351 175.106 174.700 0.091 0.000 2.146 64 T CA 1.098 63.285 62.100 0.146 0.000 3.498 64 T CB -2.600 66.460 68.868 0.319 0.000 1.517 64 T HN 0.598 nan 8.240 nan 0.000 1.113 65 Q N 1.297 120.973 119.800 -0.208 0.000 3.122 65 Q HA 0.319 4.659 4.340 -0.000 0.000 0.360 65 Q C 1.001 176.932 176.000 -0.115 0.000 1.300 65 Q CA -0.370 55.221 55.803 -0.354 0.000 0.982 65 Q CB 0.093 28.420 28.738 -0.686 0.000 1.534 65 Q HN 0.575 nan 8.270 nan 0.000 0.474 66 N N 0.930 119.636 118.700 0.011 0.000 2.309 66 N HA -0.115 4.625 4.740 -0.000 0.000 0.182 66 N C 1.345 176.878 175.510 0.039 0.000 1.018 66 N CA 0.935 54.002 53.050 0.028 0.000 0.876 66 N CB 0.181 38.699 38.487 0.051 0.000 0.972 66 N HN 0.392 nan 8.380 nan 0.000 0.434 67 R N 0.585 121.120 120.500 0.059 0.000 2.062 67 R HA -0.022 4.317 4.340 -0.000 0.000 0.231 67 R C 2.160 178.490 176.300 0.051 0.000 1.136 67 R CA 0.824 56.961 56.100 0.062 0.000 0.948 67 R CB -0.439 29.913 30.300 0.086 0.000 0.845 67 R HN 0.115 nan 8.270 nan 0.000 0.430 68 I N 1.253 121.853 120.570 0.051 0.000 2.315 68 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 68 I C 1.914 178.105 176.117 0.123 0.000 1.117 68 I CA 1.325 62.673 61.300 0.081 0.000 1.404 68 I CB -0.095 37.965 38.000 0.100 0.000 1.071 68 I HN 0.114 nan 8.210 nan 0.000 0.419 69 L N 0.249 121.531 121.223 0.099 0.000 2.012 69 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 69 L C 2.808 179.728 176.870 0.084 0.000 1.073 69 L CA 1.816 56.727 54.840 0.118 0.000 0.748 69 L CB -0.735 41.346 42.059 0.037 0.000 0.891 69 L HN 0.296 nan 8.230 nan 0.000 0.431 70 R N 0.467 120.997 120.500 0.049 0.000 2.070 70 R HA -0.217 4.122 4.340 -0.000 0.000 0.233 70 R C 2.368 178.677 176.300 0.015 0.000 1.137 70 R CA 1.837 57.955 56.100 0.031 0.000 0.945 70 R CB -0.491 29.825 30.300 0.028 0.000 0.845 70 R HN 0.243 nan 8.270 nan 0.000 0.430 71 L N 1.061 122.291 121.223 0.010 0.000 2.127 71 L HA -0.073 4.267 4.340 -0.000 0.000 0.211 71 L C 2.257 179.093 176.870 -0.057 0.000 1.089 71 L CA 2.128 56.959 54.840 -0.016 0.000 0.757 71 L CB -0.569 41.483 42.059 -0.011 0.000 0.899 71 L HN 0.285 nan 8.230 nan 0.000 0.434 72 A N -0.433 122.344 122.820 -0.071 0.000 1.873 72 A HA -0.215 4.105 4.320 -0.000 0.000 0.215 72 A C 2.432 179.953 177.584 -0.105 0.000 1.186 72 A CA 1.745 53.668 52.037 -0.191 0.000 0.616 72 A CB -0.604 18.206 19.000 -0.317 0.000 0.823 72 A HN 0.511 nan 8.150 nan 0.000 0.442 73 K N -0.061 120.329 120.400 -0.017 0.000 1.991 73 K HA -0.252 4.068 4.320 -0.000 0.000 0.212 73 K C 2.083 178.672 176.600 -0.018 0.000 1.049 73 K CA 1.924 58.212 56.287 0.001 0.000 0.932 73 K CB -0.305 32.209 32.500 0.024 0.000 0.717 73 K HN 0.564 nan 8.250 nan 0.000 0.441 74 E N 0.417 120.607 120.200 -0.017 0.000 2.187 74 E HA -0.215 4.135 4.350 -0.000 0.000 0.199 74 E C 1.726 178.306 176.600 -0.032 0.000 1.004 74 E CA 1.210 57.599 56.400 -0.018 0.000 0.813 74 E CB -0.065 29.627 29.700 -0.013 0.000 0.736 74 E HN 0.411 nan 8.360 nan 0.000 0.468 75 L N -0.864 120.326 121.223 -0.055 0.000 2.599 75 L HA 0.141 4.481 4.340 -0.000 0.000 0.230 75 L C 1.458 178.287 176.870 -0.069 0.000 1.141 75 L CA 0.526 55.325 54.840 -0.069 0.000 0.877 75 L CB 0.358 42.355 42.059 -0.103 0.000 1.009 75 L HN 0.476 nan 8.230 nan 0.000 0.447 76 G N -0.495 108.272 108.800 -0.055 0.000 2.179 76 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.220 76 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.220 76 G C 0.242 175.116 174.900 -0.044 0.000 0.990 76 G CA -0.363 44.711 45.100 -0.043 0.000 0.646 76 G HN 0.158 nan 8.290 nan 0.000 0.517 77 L N 0.294 121.474 121.223 -0.072 0.000 2.439 77 L HA 0.709 5.048 4.340 -0.000 0.000 0.261 77 L C 0.640 177.536 176.870 0.043 0.000 1.153 77 L CA -0.405 54.397 54.840 -0.063 0.000 0.808 77 L CB 1.023 42.946 42.059 -0.227 0.000 1.126 77 L HN 0.170 nan 8.230 nan 0.000 0.460 78 E N -0.211 120.055 120.200 0.110 0.000 2.277 78 E HA 0.430 4.779 4.350 -0.000 0.000 0.266 78 E C -1.008 175.742 176.600 0.249 0.000 0.901 78 E CA -0.605 55.889 56.400 0.157 0.000 0.782 78 E CB 2.446 32.211 29.700 0.108 0.000 1.228 78 E HN 0.687 nan 8.360 nan 0.000 0.424 79 T N -0.993 113.668 114.554 0.180 0.000 2.952 79 T HA 0.611 4.961 4.350 -0.000 0.000 0.286 79 T C -0.738 174.053 174.700 0.152 0.000 1.024 79 T CA -0.712 61.443 62.100 0.091 0.000 1.029 79 T CB 0.735 69.551 68.868 -0.087 0.000 1.094 79 T HN 0.485 nan 8.240 nan 0.000 0.515 80 Y N -1.426 118.873 120.300 -0.002 0.000 2.553 80 Y HA 0.703 5.252 4.550 -0.001 0.000 0.347 80 Y C -0.643 175.258 175.900 0.001 0.000 1.019 80 Y CA -1.576 56.532 58.100 0.013 0.000 1.032 80 Y CB 1.380 39.866 38.460 0.044 0.000 1.284 80 Y HN 0.609 nan 8.280 nan 0.000 0.466 81 K N 2.676 123.152 120.400 0.126 0.000 2.379 81 K HA 0.312 4.632 4.320 -0.000 0.000 0.284 81 K C -0.606 176.040 176.600 0.077 0.000 1.044 81 K CA -0.470 55.834 56.287 0.029 0.000 0.974 81 K CB 1.063 33.599 32.500 0.059 0.000 0.962 81 K HN 0.576 nan 8.250 nan 0.000 0.474 82 V N 3.327 123.215 119.914 -0.044 0.000 2.788 82 V HA -0.126 3.994 4.120 -0.000 0.000 0.307 82 V C 0.625 176.770 176.094 0.084 0.000 1.069 82 V CA -0.083 62.248 62.300 0.053 0.000 1.173 82 V CB 0.334 32.182 31.823 0.040 0.000 0.925 82 V HN 0.742 nan 8.190 nan 0.000 0.492 83 N N 3.501 122.274 118.700 0.122 0.000 2.438 83 N HA 0.051 4.791 4.740 -0.000 0.000 0.267 83 N C 0.216 175.750 175.510 0.039 0.000 1.222 83 N CA 0.396 53.502 53.050 0.094 0.000 0.930 83 N CB 0.349 38.915 38.487 0.132 0.000 1.083 83 N HN 0.811 nan 8.380 nan 0.000 0.476 84 E N 2.933 123.146 120.200 0.021 0.000 3.029 84 E HA 0.103 4.453 4.350 -0.000 0.000 0.196 84 E C 0.395 176.991 176.600 -0.006 0.000 0.973 84 E CA -0.048 56.344 56.400 -0.012 0.000 1.242 84 E CB 0.287 29.965 29.700 -0.037 0.000 1.056 84 E HN 0.485 nan 8.360 nan 0.000 0.469 85 V N 0.293 120.217 119.914 0.016 0.000 2.307 85 V HA -0.179 3.940 4.120 -0.000 0.000 0.245 85 V C 1.095 177.194 176.094 0.009 0.000 1.045 85 V CA 1.580 63.888 62.300 0.013 0.000 1.024 85 V CB -0.296 31.538 31.823 0.019 0.000 0.651 85 V HN 0.227 nan 8.190 nan 0.000 0.449 86 E N -0.513 119.699 120.200 0.021 0.000 3.601 86 E HA 0.390 4.740 4.350 -0.000 0.000 0.273 86 E C 0.270 176.878 176.600 0.013 0.000 1.368 86 E CA -0.581 55.839 56.400 0.032 0.000 1.286 86 E CB 0.198 29.936 29.700 0.064 0.000 1.383 86 E HN 0.318 nan 8.360 nan 0.000 0.746 87 R N 0.402 120.935 120.500 0.055 0.000 2.459 87 R HA 0.376 4.716 4.340 -0.000 0.000 0.281 87 R C -0.302 175.927 176.300 -0.117 0.000 1.050 87 R CA -0.438 55.658 56.100 -0.006 0.000 1.055 87 R CB 0.320 30.684 30.300 0.106 0.000 1.045 87 R HN 0.307 nan 8.270 nan 0.000 0.495 88 L N 2.343 123.320 121.223 -0.411 0.000 2.421 88 L HA 0.508 4.847 4.340 -0.000 0.000 0.263 88 L C 0.106 176.725 176.870 -0.418 0.000 1.122 88 L CA -0.682 53.825 54.840 -0.554 0.000 0.804 88 L CB 0.408 41.921 42.059 -0.911 0.000 1.150 88 L HN 0.470 nan 8.230 nan 0.000 0.457 89 I N 0.269 120.757 120.570 -0.137 0.000 2.406 89 I HA 0.233 4.403 4.170 -0.000 0.000 0.290 89 I C -0.636 175.766 176.117 0.475 0.000 0.999 89 I CA -0.507 60.864 61.300 0.119 0.000 1.124 89 I CB 1.611 39.527 38.000 -0.140 0.000 1.289 89 I HN 0.520 nan 8.210 nan 0.000 0.441 90 H N 5.389 124.791 119.070 0.554 0.000 2.594 90 H HA 0.313 4.869 4.556 -0.001 0.000 0.304 90 H C -1.087 174.459 175.328 0.362 0.000 1.068 90 H CA -0.317 55.965 56.048 0.390 0.000 1.308 90 H CB 0.450 30.333 29.762 0.202 0.000 1.409 90 H HN 0.484 nan 8.280 nan 0.000 0.460 91 H N 4.358 123.462 119.070 0.058 0.000 2.581 91 H HA 0.517 5.073 4.556 -0.000 0.000 0.308 91 H C -1.347 173.915 175.328 -0.112 0.000 1.040 91 H CA -0.514 55.525 56.048 -0.015 0.000 1.231 91 H CB 0.286 30.060 29.762 0.021 0.000 1.396 91 H HN 0.399 nan 8.280 nan 0.000 0.467 92 V N 6.019 125.722 119.914 -0.351 0.000 2.760 92 V HA 0.246 4.365 4.120 -0.000 0.000 0.309 92 V C -0.589 175.421 176.094 -0.140 0.000 1.077 92 V CA -0.904 61.256 62.300 -0.234 0.000 0.910 92 V CB 1.397 33.051 31.823 -0.281 0.000 1.008 92 V HN 1.045 nan 8.190 nan 0.000 0.424 93 K N 4.803 125.145 120.400 -0.096 0.000 3.156 93 K HA -0.223 4.096 4.320 -0.000 0.000 0.266 93 K C 0.930 177.473 176.600 -0.096 0.000 0.966 93 K CA 0.795 57.053 56.287 -0.048 0.000 0.719 93 K CB -1.546 30.959 32.500 0.007 0.000 1.333 93 K HN 1.774 nan 8.250 nan 0.000 0.468 94 G N -0.378 108.303 108.800 -0.198 0.000 2.162 94 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.260 94 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.260 94 G C -0.068 174.679 174.900 -0.255 0.000 0.976 94 G CA 0.919 45.937 45.100 -0.138 0.000 0.655 94 G HN 0.355 nan 8.290 nan 0.000 0.533 95 K N -0.011 120.075 120.400 -0.523 0.000 2.375 95 K HA 0.598 4.918 4.320 -0.000 0.000 0.249 95 K C -0.807 175.451 176.600 -0.571 0.000 0.942 95 K CA -0.569 55.460 56.287 -0.429 0.000 0.806 95 K CB 1.866 34.121 32.500 -0.408 0.000 1.227 95 K HN 0.069 nan 8.250 nan 0.000 0.430 96 S N 1.864 117.351 115.700 -0.355 0.000 2.429 96 S HA 0.405 4.875 4.470 -0.000 0.000 0.302 96 S C -1.305 173.086 174.600 -0.347 0.000 1.115 96 S CA -0.566 57.541 58.200 -0.154 0.000 1.095 96 S CB 0.171 63.401 63.200 0.051 0.000 0.987 96 S HN 0.313 nan 8.310 nan 0.000 0.474 97 Y N 2.767 123.149 120.300 0.138 0.000 2.328 97 Y HA 0.420 4.970 4.550 -0.001 0.000 0.333 97 Y C -2.520 173.562 175.900 0.303 0.000 0.958 97 Y CA -2.627 55.594 58.100 0.201 0.000 1.167 97 Y CB 0.720 39.297 38.460 0.196 0.000 1.151 97 Y HN 0.436 nan 8.280 nan 0.000 0.470 98 P HA 0.379 nan 4.420 nan 0.000 0.276 98 P C -0.979 176.604 177.300 0.471 0.000 1.244 98 P CA -0.265 63.038 63.100 0.338 0.000 0.801 98 P CB 0.786 32.664 31.700 0.298 0.000 1.006 99 F N -1.798 118.247 119.950 0.159 0.000 2.817 99 F HA 0.662 5.189 4.527 -0.001 0.000 0.317 99 F C -1.264 174.593 175.800 0.095 0.000 1.168 99 F CA -1.232 56.848 58.000 0.132 0.000 0.911 99 F CB 1.198 40.272 39.000 0.122 0.000 1.337 99 F HN 0.022 nan 8.300 nan 0.000 0.464 100 R N 0.906 121.502 120.500 0.160 0.000 2.919 100 R HA 0.779 5.118 4.340 -0.000 0.000 0.260 100 R C -0.141 176.267 176.300 0.180 0.000 1.067 100 R CA -0.674 55.447 56.100 0.036 0.000 1.003 100 R CB 1.495 31.832 30.300 0.062 0.000 1.192 100 R HN 1.520 nan 8.270 nan 0.000 0.488 101 G N 0.916 109.766 108.800 0.084 0.000 2.782 101 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.228 101 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.228 101 G C -2.170 172.809 174.900 0.132 0.000 1.372 101 G CA -0.653 44.514 45.100 0.112 0.000 0.862 101 G HN 0.417 nan 8.290 nan 0.000 0.547 102 P HA 0.219 nan 4.420 nan 0.000 0.221 102 P C 0.509 177.656 177.300 -0.254 0.000 1.155 102 P CA 0.902 63.890 63.100 -0.186 0.000 0.812 102 P CB 0.161 31.577 31.700 -0.472 0.000 0.801 103 F N 0.218 120.162 119.950 -0.010 0.000 2.443 103 F HA 0.418 4.945 4.527 -0.000 0.000 0.335 103 F C -2.106 173.503 175.800 -0.318 0.000 1.104 103 F CA -2.940 54.961 58.000 -0.165 0.000 1.013 103 F CB 0.618 39.467 39.000 -0.253 0.000 1.136 103 F HN -0.293 nan 8.300 nan 0.000 0.470 104 P HA 0.135 nan 4.420 nan 0.000 0.271 104 P C -2.467 174.505 177.300 -0.547 0.000 1.216 104 P CA -0.977 61.354 63.100 -1.283 0.000 0.771 104 P CB -0.030 30.910 31.700 -1.265 0.000 0.864 105 P HA 0.180 nan 4.420 nan 0.000 0.277 105 P C -1.096 175.949 177.300 -0.424 0.000 1.240 105 P CA -0.188 62.682 63.100 -0.383 0.000 0.798 105 P CB 1.003 32.459 31.700 -0.405 0.000 0.979 106 V N 2.753 122.387 119.914 -0.468 0.000 2.638 106 V HA 0.372 4.492 4.120 -0.000 0.000 0.306 106 V C -0.400 175.450 176.094 -0.406 0.000 1.052 106 V CA -0.529 61.543 62.300 -0.379 0.000 0.885 106 V CB 1.737 33.319 31.823 -0.402 0.000 0.999 106 V HN 0.621 nan 8.190 nan 0.000 0.424 107 W N 2.720 123.953 121.300 -0.112 0.000 2.630 107 W HA 0.291 4.951 4.660 -0.000 0.000 0.275 107 W C 1.347 177.820 176.519 -0.078 0.000 1.192 107 W CA 0.098 57.380 57.345 -0.106 0.000 1.410 107 W CB 0.214 29.619 29.460 -0.092 0.000 1.075 107 W HN 0.623 nan 8.180 nan 0.000 0.581 108 N N 2.022 120.824 118.700 0.169 0.000 2.359 108 N HA -0.067 4.672 4.740 -0.000 0.000 0.261 108 N C -1.828 173.749 175.510 0.112 0.000 1.267 108 N CA -0.175 52.943 53.050 0.114 0.000 0.864 108 N CB 1.272 39.807 38.487 0.079 0.000 1.063 108 N HN -0.096 nan 8.380 nan 0.000 0.474 109 P HA -0.048 nan 4.420 nan 0.000 0.217 109 P C 1.608 178.993 177.300 0.141 0.000 1.151 109 P CA 0.555 63.729 63.100 0.122 0.000 0.828 109 P CB 0.400 32.150 31.700 0.084 0.000 0.788 110 I N -0.168 120.460 120.570 0.097 0.000 2.090 110 I HA -0.204 3.966 4.170 -0.000 0.000 0.236 110 I C 1.999 178.173 176.117 0.095 0.000 1.064 110 I CA 1.999 63.346 61.300 0.079 0.000 1.324 110 I CB -2.059 35.981 38.000 0.067 0.000 1.044 110 I HN 0.020 nan 8.210 nan 0.000 0.399 111 T N 0.594 115.210 114.554 0.103 0.000 2.680 111 T HA -0.309 4.041 4.350 -0.000 0.000 0.268 111 T C 1.832 176.601 174.700 0.115 0.000 1.033 111 T CA 2.089 64.259 62.100 0.117 0.000 1.152 111 T CB -0.854 68.055 68.868 0.068 0.000 0.859 111 T HN 0.408 nan 8.240 nan 0.000 0.452 112 Y N 1.472 121.750 120.300 -0.035 0.000 2.181 112 Y HA -0.096 4.454 4.550 -0.000 0.000 0.288 112 Y C 2.104 178.005 175.900 0.002 0.000 1.146 112 Y CA 1.122 59.182 58.100 -0.066 0.000 1.164 112 Y CB -0.352 38.055 38.460 -0.089 0.000 0.982 112 Y HN 0.126 nan 8.280 nan 0.000 0.515 113 L N -0.046 121.154 121.223 -0.038 0.000 2.046 113 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 113 L C 2.188 178.984 176.870 -0.124 0.000 1.077 113 L CA 1.785 56.548 54.840 -0.128 0.000 0.747 113 L CB -0.662 41.375 42.059 -0.037 0.000 0.896 113 L HN 0.246 nan 8.230 nan 0.000 0.432 114 D N -0.877 119.509 120.400 -0.024 0.000 2.097 114 D HA -0.219 4.421 4.640 -0.000 0.000 0.195 114 D C 2.182 178.496 176.300 0.023 0.000 0.989 114 D CA 1.380 55.392 54.000 0.019 0.000 0.827 114 D CB 0.029 40.886 40.800 0.095 0.000 0.966 114 D HN 0.301 nan 8.370 nan 0.000 0.456 115 H N -0.411 118.599 119.070 -0.100 0.000 2.321 115 H HA -0.106 4.449 4.556 -0.000 0.000 0.300 115 H C 2.138 177.440 175.328 -0.042 0.000 1.087 115 H CA 1.281 57.289 56.048 -0.067 0.000 1.319 115 H CB -0.114 29.626 29.762 -0.037 0.000 1.379 115 H HN 0.291 nan 8.280 nan 0.000 0.501 116 N N 1.099 119.737 118.700 -0.104 0.000 2.166 116 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 116 N C 1.741 177.177 175.510 -0.123 0.000 1.019 116 N CA 0.782 53.706 53.050 -0.211 0.000 0.856 116 N CB -0.236 37.922 38.487 -0.549 0.000 0.993 116 N HN 0.391 nan 8.380 nan 0.000 0.426 117 N N 0.198 118.828 118.700 -0.115 0.000 2.188 117 N HA -0.181 4.559 4.740 -0.000 0.000 0.184 117 N C 1.840 177.308 175.510 -0.069 0.000 1.018 117 N CA 0.708 53.702 53.050 -0.093 0.000 0.858 117 N CB -0.371 38.065 38.487 -0.085 0.000 0.989 117 N HN 0.270 nan 8.380 nan 0.000 0.426 118 F N 0.634 120.464 119.950 -0.199 0.000 2.046 118 F HA -0.122 4.405 4.527 -0.001 0.000 0.297 118 F C 1.883 177.535 175.800 -0.247 0.000 1.123 118 F CA 1.670 59.499 58.000 -0.285 0.000 1.199 118 F CB -0.977 37.728 39.000 -0.491 0.000 0.972 118 F HN 0.034 nan 8.300 nan 0.000 0.474 119 W N 0.755 121.806 121.300 -0.415 0.000 2.350 119 W HA -0.126 4.534 4.660 -0.001 0.000 0.289 119 W C 2.793 179.049 176.519 -0.438 0.000 1.215 119 W CA 1.286 58.308 57.345 -0.539 0.000 1.236 119 W CB -0.406 28.872 29.460 -0.303 0.000 1.130 119 W HN -0.035 nan 8.180 nan 0.000 0.541 120 R N 0.028 120.459 120.500 -0.114 0.000 2.115 120 R HA -0.093 4.247 4.340 -0.000 0.000 0.226 120 R C 1.593 177.794 176.300 -0.165 0.000 1.100 120 R CA 1.792 57.812 56.100 -0.134 0.000 0.980 120 R CB -0.577 29.640 30.300 -0.139 0.000 0.875 120 R HN 0.067 nan 8.270 nan 0.000 0.445 121 T N 1.218 115.645 114.554 -0.212 0.000 2.985 121 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 121 T C 1.817 176.374 174.700 -0.238 0.000 1.076 121 T CA 0.650 62.635 62.100 -0.191 0.000 1.135 121 T CB 0.042 68.816 68.868 -0.156 0.000 0.890 121 T HN 0.097 nan 8.240 nan 0.000 0.480 122 M N 1.683 121.073 119.600 -0.350 0.000 2.117 122 M HA -0.060 4.420 4.480 -0.000 0.000 0.262 122 M C 1.728 177.919 176.300 -0.183 0.000 1.065 122 M CA 1.397 56.525 55.300 -0.287 0.000 1.114 122 M CB -1.052 31.362 32.600 -0.310 0.000 1.361 122 M HN 0.120 nan 8.290 nan 0.000 0.408 123 D N 0.382 120.688 120.400 -0.156 0.000 2.149 123 D HA -0.107 4.532 4.640 -0.000 0.000 0.201 123 D C 1.629 177.870 176.300 -0.099 0.000 0.972 123 D CA 0.917 54.846 54.000 -0.118 0.000 0.835 123 D CB -0.192 40.547 40.800 -0.103 0.000 0.966 123 D HN 0.243 nan 8.370 nan 0.000 0.476 124 D N 0.293 120.635 120.400 -0.097 0.000 2.087 124 D HA -0.139 4.501 4.640 -0.000 0.000 0.192 124 D C 2.177 178.471 176.300 -0.010 0.000 0.993 124 D CA 0.822 54.788 54.000 -0.056 0.000 0.828 124 D CB -0.292 40.475 40.800 -0.055 0.000 0.968 124 D HN 0.200 nan 8.370 nan 0.000 0.448 125 M N 0.159 119.732 119.600 -0.044 0.000 2.144 125 M HA -0.110 4.370 4.480 -0.000 0.000 0.260 125 M C 2.218 178.549 176.300 0.052 0.000 1.067 125 M CA 1.743 57.030 55.300 -0.022 0.000 1.095 125 M CB -0.390 31.977 32.600 -0.389 0.000 1.365 125 M HN 0.061 nan 8.290 nan 0.000 0.406 126 G N -0.562 108.215 108.800 -0.038 0.000 2.443 126 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.219 126 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.219 126 G C 1.603 176.504 174.900 0.002 0.000 1.131 126 G CA 0.397 45.479 45.100 -0.030 0.000 0.775 126 G HN 0.380 nan 8.290 nan 0.000 0.547 127 R N -0.306 120.194 120.500 0.000 0.000 2.189 127 R HA -0.006 4.334 4.340 -0.000 0.000 0.223 127 R C 1.868 178.176 176.300 0.013 0.000 1.092 127 R CA 0.807 56.899 56.100 -0.013 0.000 0.989 127 R CB 0.055 30.342 30.300 -0.022 0.000 0.876 127 R HN 0.196 nan 8.270 nan 0.000 0.457 128 E N -0.208 120.037 120.200 0.074 0.000 2.489 128 E HA 0.120 4.469 4.350 -0.000 0.000 0.193 128 E C -0.474 176.164 176.600 0.063 0.000 1.057 128 E CA 0.327 56.772 56.400 0.074 0.000 0.866 128 E CB 0.388 30.173 29.700 0.142 0.000 0.916 128 E HN 0.211 nan 8.360 nan 0.000 0.500 129 I N 1.552 122.169 120.570 0.079 0.000 2.382 129 I HA 0.301 4.470 4.170 -0.000 0.000 0.286 129 I C -2.366 173.760 176.117 0.015 0.000 1.002 129 I CA -2.611 58.732 61.300 0.072 0.000 1.135 129 I CB 1.847 39.950 38.000 0.173 0.000 1.288 129 I HN -0.235 nan 8.210 nan 0.000 0.448 130 P HA 0.192 nan 4.420 nan 0.000 0.276 130 P C 0.283 177.555 177.300 -0.047 0.000 1.235 130 P CA -0.100 62.942 63.100 -0.097 0.000 0.772 130 P CB 1.086 32.676 31.700 -0.182 0.000 0.871 131 S N 2.095 117.796 115.700 0.002 0.000 2.343 131 S HA -0.206 4.264 4.470 -0.000 0.000 0.219 131 S C 1.467 176.134 174.600 0.112 0.000 1.033 131 S CA 1.485 59.791 58.200 0.178 0.000 1.014 131 S CB -1.052 62.160 63.200 0.020 0.000 0.915 131 S HN 0.520 nan 8.310 nan 0.000 0.435 132 D N 1.880 122.226 120.400 -0.089 0.000 3.691 132 D HA -0.224 4.416 4.640 -0.000 0.000 0.228 132 D C 0.403 176.482 176.300 -0.367 0.000 1.236 132 D CA 2.103 55.970 54.000 -0.222 0.000 0.888 132 D CB -0.170 40.480 40.800 -0.250 0.000 0.969 132 D HN 0.528 nan 8.370 nan 0.000 0.560 133 A N -2.195 120.267 122.820 -0.597 0.000 2.839 133 A HA 0.365 4.685 4.320 -0.000 0.000 0.303 133 A C -2.037 174.757 177.584 -1.317 0.000 1.181 133 A CA -0.741 50.474 52.037 -1.369 0.000 0.808 133 A CB 1.150 19.565 19.000 -0.975 0.000 1.391 133 A HN 0.040 nan 8.150 nan 0.000 0.433 134 P HA -0.166 nan 4.420 nan 0.000 0.219 134 P C 1.140 178.234 177.300 -0.342 0.000 1.146 134 P CA 1.411 64.178 63.100 -0.555 0.000 0.808 134 P CB -0.236 31.098 31.700 -0.611 0.000 0.779 135 W N 0.937 122.170 121.300 -0.112 0.000 2.721 135 W HA 0.126 4.786 4.660 -0.000 0.000 0.245 135 W C 1.313 177.796 176.519 -0.060 0.000 1.276 135 W CA 0.356 57.657 57.345 -0.073 0.000 1.342 135 W CB -1.438 27.973 29.460 -0.082 0.000 1.135 135 W HN -0.101 nan 8.180 nan 0.000 0.654 136 K N 0.823 121.105 120.400 -0.197 0.000 2.404 136 K HA 0.329 4.648 4.320 -0.000 0.000 0.194 136 K C 1.068 177.610 176.600 -0.096 0.000 1.023 136 K CA 0.138 56.374 56.287 -0.085 0.000 1.094 136 K CB -0.014 32.402 32.500 -0.140 0.000 0.841 136 K HN 0.093 nan 8.250 nan 0.000 0.523 137 A N 2.298 125.056 122.820 -0.102 0.000 2.561 137 A HA 0.056 4.375 4.320 -0.000 0.000 0.234 137 A C -1.568 175.920 177.584 -0.159 0.000 1.055 137 A CA -0.947 51.023 52.037 -0.112 0.000 0.756 137 A CB 0.024 18.983 19.000 -0.068 0.000 0.986 137 A HN 0.007 nan 8.150 nan 0.000 0.505 138 P HA -0.160 nan 4.420 nan 0.000 0.216 138 P C 0.564 177.681 177.300 -0.305 0.000 1.154 138 P CA 1.336 64.307 63.100 -0.215 0.000 0.865 138 P CB 0.043 31.616 31.700 -0.211 0.000 0.789 139 L N -2.411 118.482 121.223 -0.550 0.000 2.928 139 L HA 0.343 4.683 4.340 -0.000 0.000 0.246 139 L C 1.851 178.404 176.870 -0.529 0.000 1.239 139 L CA -0.271 54.154 54.840 -0.692 0.000 1.035 139 L CB -0.455 40.847 42.059 -1.261 0.000 1.360 139 L HN -0.093 nan 8.230 nan 0.000 0.529 140 A N 0.505 123.178 122.820 -0.245 0.000 1.884 140 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 140 A C 2.183 179.792 177.584 0.042 0.000 1.197 140 A CA 1.746 53.769 52.037 -0.023 0.000 0.637 140 A CB -0.178 18.844 19.000 0.037 0.000 0.827 140 A HN 0.469 nan 8.150 nan 0.000 0.450 141 E N -0.789 119.411 120.200 -0.001 0.000 2.023 141 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 141 E C 2.108 178.749 176.600 0.069 0.000 1.003 141 E CA 1.481 57.902 56.400 0.034 0.000 0.809 141 E CB -0.378 29.324 29.700 0.003 0.000 0.755 141 E HN 0.826 nan 8.360 nan 0.000 0.449 142 E N -0.216 120.001 120.200 0.028 0.000 2.058 142 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 142 E C 1.923 178.685 176.600 0.270 0.000 0.997 142 E CA 1.172 57.632 56.400 0.101 0.000 0.801 142 E CB -0.031 29.693 29.700 0.039 0.000 0.746 142 E HN 0.262 nan 8.360 nan 0.000 0.450 143 W N 0.985 122.326 121.300 0.068 0.000 2.409 143 W HA -0.071 4.589 4.660 -0.001 0.000 0.299 143 W C 2.045 178.631 176.519 0.112 0.000 1.203 143 W CA 0.989 58.386 57.345 0.087 0.000 1.298 143 W CB -1.121 28.390 29.460 0.086 0.000 1.127 143 W HN 0.223 nan 8.180 nan 0.000 0.528 144 D N -0.438 120.167 120.400 0.342 0.000 2.269 144 D HA -0.137 4.503 4.640 -0.000 0.000 0.208 144 D C 1.323 177.746 176.300 0.205 0.000 0.963 144 D CA 0.933 55.091 54.000 0.264 0.000 0.864 144 D CB -0.253 40.682 40.800 0.226 0.000 0.936 144 D HN -0.133 nan 8.370 nan 0.000 0.505 145 N N -0.197 118.610 118.700 0.178 0.000 2.449 145 N HA 0.059 4.799 4.740 -0.000 0.000 0.191 145 N C -0.124 175.463 175.510 0.128 0.000 1.161 145 N CA 0.150 53.280 53.050 0.133 0.000 0.863 145 N CB 0.141 38.691 38.487 0.105 0.000 0.980 145 N HN 0.378 nan 8.380 nan 0.000 0.458 146 M N 0.336 120.028 119.600 0.152 0.000 2.386 146 M HA 0.255 4.735 4.480 -0.000 0.000 0.293 146 M C -0.586 175.787 176.300 0.122 0.000 1.120 146 M CA -0.510 54.865 55.300 0.126 0.000 0.909 146 M CB 1.845 34.528 32.600 0.139 0.000 1.661 146 M HN 0.001 nan 8.290 nan 0.000 0.452 147 T N 0.987 115.596 114.554 0.091 0.000 2.788 147 T HA 0.245 4.595 4.350 -0.000 0.000 0.280 147 T C 1.001 175.728 174.700 0.044 0.000 0.984 147 T CA -0.750 61.398 62.100 0.080 0.000 0.972 147 T CB 0.824 69.732 68.868 0.066 0.000 1.039 147 T HN 0.782 nan 8.240 nan 0.000 0.530 148 M N 0.151 119.754 119.600 0.006 0.000 2.254 148 M HA 0.079 4.559 4.480 -0.000 0.000 0.265 148 M C 2.169 178.426 176.300 -0.071 0.000 1.066 148 M CA 1.444 56.707 55.300 -0.062 0.000 1.123 148 M CB -1.393 31.082 32.600 -0.208 0.000 1.388 148 M HN 0.902 nan 8.290 nan 0.000 0.425 149 K N 0.386 120.755 120.400 -0.051 0.000 2.097 149 K HA -0.146 4.173 4.320 -0.000 0.000 0.206 149 K C 1.801 178.383 176.600 -0.031 0.000 1.049 149 K CA 1.555 57.818 56.287 -0.039 0.000 0.933 149 K CB -0.134 32.373 32.500 0.012 0.000 0.717 149 K HN 0.333 nan 8.250 nan 0.000 0.442 150 E N -0.058 120.137 120.200 -0.009 0.000 2.051 150 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 150 E C 1.903 178.497 176.600 -0.011 0.000 0.991 150 E CA 1.196 57.593 56.400 -0.005 0.000 0.799 150 E CB -0.130 29.582 29.700 0.020 0.000 0.748 150 E HN 0.275 nan 8.360 nan 0.000 0.449 151 L N 1.177 122.394 121.223 -0.010 0.000 2.017 151 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 151 L C 2.067 178.930 176.870 -0.011 0.000 1.073 151 L CA 1.554 56.384 54.840 -0.016 0.000 0.745 151 L CB -0.524 41.512 42.059 -0.039 0.000 0.894 151 L HN 0.146 nan 8.230 nan 0.000 0.432 152 L N -0.771 120.436 121.223 -0.027 0.000 2.017 152 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 152 L C 2.254 179.081 176.870 -0.072 0.000 1.073 152 L CA 1.441 56.251 54.840 -0.051 0.000 0.745 152 L CB -0.906 41.089 42.059 -0.107 0.000 0.894 152 L HN 0.263 nan 8.230 nan 0.000 0.432 153 D N -0.012 120.344 120.400 -0.074 0.000 2.221 153 D HA -0.205 4.435 4.640 -0.000 0.000 0.204 153 D C 2.130 178.368 176.300 -0.103 0.000 0.982 153 D CA 1.226 55.170 54.000 -0.093 0.000 0.857 153 D CB 0.054 40.806 40.800 -0.081 0.000 0.934 153 D HN 0.245 nan 8.370 nan 0.000 0.475 154 K N -0.454 119.912 120.400 -0.057 0.000 2.128 154 K HA 0.001 4.321 4.320 -0.000 0.000 0.202 154 K C 1.800 178.412 176.600 0.019 0.000 1.050 154 K CA 0.119 56.386 56.287 -0.035 0.000 0.966 154 K CB 0.105 32.609 32.500 0.006 0.000 0.759 154 K HN -0.043 nan 8.250 nan 0.000 0.454 155 L N 0.617 121.870 121.223 0.049 0.000 2.270 155 L HA 0.066 4.406 4.340 -0.000 0.000 0.210 155 L C -0.093 176.894 176.870 0.195 0.000 1.104 155 L CA 0.800 55.718 54.840 0.130 0.000 0.804 155 L CB 0.283 42.412 42.059 0.117 0.000 0.937 155 L HN 0.124 nan 8.230 nan 0.000 0.450 156 C N -0.946 118.405 119.300 0.085 0.000 2.251 156 C HA 0.189 4.648 4.460 -0.000 0.000 0.323 156 C C 0.736 175.779 174.990 0.088 0.000 1.241 156 C CA -0.922 58.130 59.018 0.057 0.000 1.601 156 C CB -0.513 27.154 27.740 -0.122 0.000 2.251 156 C HN 0.550 nan 8.230 nan 0.000 0.488 157 W N 1.988 123.256 121.300 -0.053 0.000 3.003 157 W HA 0.123 4.783 4.660 -0.001 0.000 0.257 157 W C 1.409 177.913 176.519 -0.026 0.000 1.308 157 W CA 0.162 57.489 57.345 -0.031 0.000 1.529 157 W CB -0.113 29.338 29.460 -0.015 0.000 1.115 157 W HN 0.658 nan 8.180 nan 0.000 0.659 158 T N -3.561 111.073 114.554 0.133 0.000 2.863 158 T HA 0.294 4.644 4.350 -0.000 0.000 0.285 158 T C 0.801 175.508 174.700 0.011 0.000 1.009 158 T CA -0.640 61.508 62.100 0.081 0.000 0.989 158 T CB 2.643 71.580 68.868 0.116 0.000 1.004 158 T HN -0.221 nan 8.240 nan 0.000 0.455 159 E N 1.284 121.490 120.200 0.010 0.000 2.153 159 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 159 E C 2.243 178.840 176.600 -0.005 0.000 0.988 159 E CA 1.527 57.919 56.400 -0.014 0.000 0.811 159 E CB -0.325 29.373 29.700 -0.003 0.000 0.746 159 E HN 0.814 nan 8.360 nan 0.000 0.466 160 S N 0.575 116.306 115.700 0.052 0.000 2.383 160 S HA -0.140 4.330 4.470 -0.000 0.000 0.229 160 S C 2.114 176.748 174.600 0.057 0.000 1.030 160 S CA 1.458 59.731 58.200 0.122 0.000 1.002 160 S CB -0.028 63.300 63.200 0.215 0.000 0.829 160 S HN 0.239 nan 8.310 nan 0.000 0.467 161 A N 1.214 123.968 122.820 -0.111 0.000 1.929 161 A HA 0.114 4.434 4.320 -0.000 0.000 0.216 161 A C 2.215 179.474 177.584 -0.542 0.000 1.176 161 A CA 1.390 53.083 52.037 -0.574 0.000 0.628 161 A CB -0.657 18.016 19.000 -0.546 0.000 0.816 161 A HN 0.616 nan 8.150 nan 0.000 0.444 162 K N -0.523 119.682 120.400 -0.326 0.000 2.147 162 K HA -0.159 4.161 4.320 -0.000 0.000 0.205 162 K C 2.211 178.663 176.600 -0.245 0.000 1.049 162 K CA 1.487 57.596 56.287 -0.296 0.000 0.936 162 K CB -0.112 32.282 32.500 -0.176 0.000 0.722 162 K HN 0.621 nan 8.250 nan 0.000 0.446 163 Q N -0.016 119.686 119.800 -0.163 0.000 2.062 163 Q HA -0.120 4.220 4.340 -0.000 0.000 0.196 163 Q C 2.072 178.036 176.000 -0.059 0.000 0.967 163 Q CA 0.769 56.529 55.803 -0.072 0.000 0.832 163 Q CB -0.000 28.739 28.738 0.002 0.000 0.899 163 Q HN 0.184 nan 8.270 nan 0.000 0.442 164 L N 0.894 122.059 121.223 -0.096 0.000 2.017 164 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 164 L C 2.195 178.994 176.870 -0.118 0.000 1.073 164 L CA 2.042 56.861 54.840 -0.034 0.000 0.745 164 L CB -0.944 41.103 42.059 -0.020 0.000 0.894 164 L HN 0.127 nan 8.230 nan 0.000 0.432 165 A N -1.683 120.848 122.820 -0.481 0.000 1.892 165 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 165 A C 2.288 179.792 177.584 -0.132 0.000 1.188 165 A CA 2.557 54.260 52.037 -0.558 0.000 0.631 165 A CB -1.285 17.008 19.000 -1.180 0.000 0.822 165 A HN 0.495 nan 8.150 nan 0.000 0.447 166 T N 0.044 114.500 114.554 -0.164 0.000 2.684 166 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 166 T C 1.868 176.554 174.700 -0.022 0.000 1.036 166 T CA 1.517 63.555 62.100 -0.103 0.000 1.148 166 T CB -0.440 68.380 68.868 -0.080 0.000 0.863 166 T HN 0.387 nan 8.240 nan 0.000 0.436 167 L N 0.199 121.455 121.223 0.056 0.000 2.012 167 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 167 L C 2.241 179.223 176.870 0.187 0.000 1.073 167 L CA 1.550 56.467 54.840 0.130 0.000 0.748 167 L CB -0.426 41.747 42.059 0.190 0.000 0.891 167 L HN 0.215 nan 8.230 nan 0.000 0.431 168 F N -0.304 119.704 119.950 0.097 0.000 2.091 168 F HA -0.254 4.273 4.527 -0.000 0.000 0.299 168 F C 2.074 177.984 175.800 0.183 0.000 1.103 168 F CA 2.076 60.198 58.000 0.202 0.000 1.228 168 F CB -0.809 38.388 39.000 0.328 0.000 0.984 168 F HN -0.107 nan 8.300 nan 0.000 0.477 169 V N 0.993 120.763 119.914 -0.240 0.000 2.270 169 V HA -0.341 3.778 4.120 -0.000 0.000 0.245 169 V C 2.087 178.023 176.094 -0.263 0.000 1.043 169 V CA 2.379 64.366 62.300 -0.521 0.000 1.014 169 V CB -1.067 30.318 31.823 -0.730 0.000 0.645 169 V HN 0.390 nan 8.190 nan 0.000 0.447 170 N N 0.127 118.728 118.700 -0.164 0.000 2.091 170 N HA -0.257 4.483 4.740 -0.000 0.000 0.193 170 N C 1.668 177.133 175.510 -0.074 0.000 1.021 170 N CA 1.542 54.528 53.050 -0.106 0.000 0.862 170 N CB -0.233 38.236 38.487 -0.030 0.000 1.018 170 N HN 0.329 nan 8.380 nan 0.000 0.429 171 L N 0.271 121.489 121.223 -0.009 0.000 2.209 171 L HA 0.083 4.422 4.340 -0.000 0.000 0.207 171 L C 1.886 178.799 176.870 0.072 0.000 1.094 171 L CA 1.239 56.098 54.840 0.031 0.000 0.790 171 L CB -0.453 41.639 42.059 0.055 0.000 0.932 171 L HN 0.217 nan 8.230 nan 0.000 0.447 172 C N -1.353 117.982 119.300 0.057 0.000 2.457 172 C HA 0.008 4.468 4.460 -0.000 0.000 0.278 172 C C 2.263 177.363 174.990 0.183 0.000 1.309 172 C CA 1.002 60.118 59.018 0.163 0.000 1.735 172 C CB -0.409 27.381 27.740 0.084 0.000 1.992 172 C HN 0.562 nan 8.230 nan 0.000 0.493 173 V N -2.495 117.425 119.914 0.010 0.000 3.382 173 V HA 0.293 4.412 4.120 -0.000 0.000 0.296 173 V C 0.706 176.666 176.094 -0.224 0.000 1.529 173 V CA 0.835 63.100 62.300 -0.059 0.000 1.048 173 V CB -1.228 30.671 31.823 0.127 0.000 0.878 173 V HN 0.492 nan 8.190 nan 0.000 0.442 174 T N -1.168 113.194 114.554 -0.321 0.000 3.882 174 T HA -0.025 4.325 4.350 -0.000 0.000 0.366 174 T C 0.065 174.589 174.700 -0.293 0.000 0.760 174 T CA 1.298 63.181 62.100 -0.361 0.000 1.931 174 T CB -2.648 65.888 68.868 -0.552 0.000 1.807 174 T HN 2.486 nan 8.240 nan 0.000 0.790 175 A N -0.250 122.383 122.820 -0.311 0.000 2.609 175 A HA 0.745 5.065 4.320 -0.000 0.000 0.291 175 A C -0.507 176.853 177.584 -0.374 0.000 1.096 175 A CA -1.070 50.706 52.037 -0.435 0.000 0.684 175 A CB 1.202 19.726 19.000 -0.793 0.000 1.282 175 A HN 0.346 nan 8.150 nan 0.000 0.412 176 E N 0.369 120.305 120.200 -0.440 0.000 2.349 176 E HA 0.283 4.633 4.350 -0.000 0.000 0.262 176 E C 1.161 177.478 176.600 -0.470 0.000 1.088 176 E CA 0.471 56.601 56.400 -0.451 0.000 0.899 176 E CB 0.887 30.155 29.700 -0.720 0.000 1.044 176 E HN 0.783 nan 8.360 nan 0.000 0.420 177 T N -1.556 112.798 114.554 -0.334 0.000 2.867 177 T HA -0.186 4.163 4.350 -0.000 0.000 0.268 177 T C 1.433 176.023 174.700 -0.184 0.000 1.057 177 T CA 1.537 63.480 62.100 -0.261 0.000 1.136 177 T CB -0.362 68.394 68.868 -0.187 0.000 0.874 177 T HN 0.612 nan 8.240 nan 0.000 0.466 178 H N 0.761 119.765 119.070 -0.110 0.000 2.555 178 H HA 0.246 4.802 4.556 -0.000 0.000 0.269 178 H C 1.354 176.649 175.328 -0.056 0.000 0.988 178 H CA 0.732 56.736 56.048 -0.072 0.000 1.178 178 H CB -0.193 29.528 29.762 -0.069 0.000 1.373 178 H HN 0.503 nan 8.280 nan 0.000 0.588 179 E N 1.266 121.233 120.200 -0.389 0.000 2.318 179 E HA 0.055 4.405 4.350 -0.000 0.000 0.193 179 E C 0.663 177.235 176.600 -0.047 0.000 0.998 179 E CA 0.416 56.680 56.400 -0.227 0.000 0.859 179 E CB 0.847 30.281 29.700 -0.444 0.000 0.812 179 E HN 0.370 nan 8.360 nan 0.000 0.492 180 V N -0.793 119.084 119.914 -0.062 0.000 2.628 180 V HA 0.436 4.555 4.120 -0.000 0.000 0.306 180 V C -0.067 176.146 176.094 0.198 0.000 1.045 180 V CA -1.224 61.138 62.300 0.103 0.000 0.905 180 V CB 1.810 33.708 31.823 0.125 0.000 0.997 180 V HN 0.004 nan 8.190 nan 0.000 0.436 181 S N 3.623 119.506 115.700 0.305 0.000 2.549 181 S HA 0.514 4.984 4.470 -0.000 0.000 0.279 181 S C 1.425 176.252 174.600 0.379 0.000 1.321 181 S CA 0.178 58.567 58.200 0.315 0.000 1.054 181 S CB 1.124 64.531 63.200 0.346 0.000 0.899 181 S HN 1.846 nan 8.310 nan 0.000 0.497 182 A N 4.589 127.565 122.820 0.260 0.000 1.883 182 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 182 A C 2.057 179.795 177.584 0.256 0.000 1.186 182 A CA 1.742 53.903 52.037 0.208 0.000 0.624 182 A CB -1.097 17.947 19.000 0.074 0.000 0.822 182 A HN 1.072 nan 8.150 nan 0.000 0.444 183 L N -1.427 119.987 121.223 0.317 0.000 2.013 183 L HA -0.191 4.148 4.340 -0.000 0.000 0.212 183 L C 2.254 179.338 176.870 0.357 0.000 1.073 183 L CA 2.703 57.761 54.840 0.362 0.000 0.753 183 L CB -0.787 41.503 42.059 0.385 0.000 0.890 183 L HN 0.666 nan 8.230 nan 0.000 0.432 184 W N -0.587 120.852 121.300 0.232 0.000 2.355 184 W HA -0.285 4.375 4.660 -0.000 0.000 0.309 184 W C 2.358 179.107 176.519 0.383 0.000 1.206 184 W CA 1.938 59.432 57.345 0.248 0.000 1.284 184 W CB -0.686 28.893 29.460 0.198 0.000 1.145 184 W HN 0.297 nan 8.180 nan 0.000 0.502 185 F N 0.837 120.857 119.950 0.117 0.000 2.134 185 F HA -0.190 4.336 4.527 -0.001 0.000 0.299 185 F C 2.099 177.785 175.800 -0.190 0.000 1.097 185 F CA 2.234 60.082 58.000 -0.254 0.000 1.264 185 F CB -0.727 38.258 39.000 -0.025 0.000 1.001 185 F HN -0.163 nan 8.300 nan 0.000 0.479 186 L N -1.290 119.920 121.223 -0.021 0.000 2.083 186 L HA -0.216 4.123 4.340 -0.000 0.000 0.209 186 L C 2.287 179.055 176.870 -0.171 0.000 1.083 186 L CA 1.643 56.407 54.840 -0.126 0.000 0.752 186 L CB -1.018 40.994 42.059 -0.077 0.000 0.899 186 L HN 0.452 nan 8.230 nan 0.000 0.433 187 W N 0.052 121.198 121.300 -0.256 0.000 2.354 187 W HA -0.311 4.349 4.660 -0.001 0.000 0.315 187 W C 2.629 178.924 176.519 -0.374 0.000 1.206 187 W CA 1.569 58.755 57.345 -0.265 0.000 1.290 187 W CB -0.723 28.609 29.460 -0.214 0.000 1.152 187 W HN 0.097 nan 8.180 nan 0.000 0.489 188 Y N 0.877 120.677 120.300 -0.833 0.000 2.040 188 Y HA -0.369 4.180 4.550 -0.001 0.000 0.275 188 Y C 2.469 177.799 175.900 -0.951 0.000 1.171 188 Y CA 3.324 60.739 58.100 -1.142 0.000 1.123 188 Y CB -0.999 36.759 38.460 -1.169 0.000 0.963 188 Y HN -0.129 nan 8.280 nan 0.000 0.493 189 V N 0.868 120.349 119.914 -0.722 0.000 2.343 189 V HA -0.333 3.787 4.120 -0.000 0.000 0.247 189 V C 2.268 178.022 176.094 -0.566 0.000 1.051 189 V CA 2.447 64.403 62.300 -0.573 0.000 1.036 189 V CB -0.878 30.697 31.823 -0.413 0.000 0.654 189 V HN 0.493 nan 8.190 nan 0.000 0.451 190 K N 1.950 122.034 120.400 -0.526 0.000 2.148 190 K HA -0.243 4.077 4.320 -0.000 0.000 0.204 190 K C 1.946 178.209 176.600 -0.561 0.000 1.050 190 K CA 1.861 57.882 56.287 -0.443 0.000 0.942 190 K CB -0.482 31.840 32.500 -0.297 0.000 0.724 190 K HN 0.586 nan 8.250 nan 0.000 0.446 191 Q N -0.258 119.059 119.800 -0.804 0.000 2.515 191 Q HA 0.014 4.353 4.340 -0.000 0.000 0.212 191 Q C 1.088 176.489 176.000 -0.999 0.000 0.970 191 Q CA 1.124 56.442 55.803 -0.809 0.000 0.941 191 Q CB -0.368 27.747 28.738 -1.038 0.000 0.998 191 Q HN 0.371 nan 8.270 nan 0.000 0.518 192 C N -0.746 117.850 119.300 -1.173 0.000 2.912 192 C HA 0.633 5.093 4.460 -0.000 0.000 0.274 192 C C 1.467 175.707 174.990 -1.249 0.000 1.248 192 C CA 0.030 57.944 59.018 -1.839 0.000 1.694 192 C CB -0.381 26.233 27.740 -1.877 0.000 2.024 192 C HN 0.773 nan 8.230 nan 0.000 0.605 193 G N 0.108 108.495 108.800 -0.688 0.000 2.145 193 G HA2 0.407 4.367 3.960 -0.000 0.000 0.145 193 G HA3 0.407 4.367 3.960 -0.000 0.000 0.145 193 G C 0.387 175.122 174.900 -0.275 0.000 1.017 193 G CA -0.064 44.811 45.100 -0.375 0.000 0.682 193 G HN 1.550 nan 8.290 nan 0.000 0.504 194 G N -1.494 107.126 108.800 -0.301 0.000 2.760 194 G HA2 0.227 4.187 3.960 -0.000 0.000 0.246 194 G HA3 0.227 4.187 3.960 -0.000 0.000 0.246 194 G C 1.200 176.019 174.900 -0.134 0.000 1.359 194 G CA 0.989 45.973 45.100 -0.193 0.000 0.861 194 G HN 1.868 nan 8.290 nan 0.000 0.541 195 T N -3.113 111.406 114.554 -0.058 0.000 2.708 195 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 195 T C 2.358 176.977 174.700 -0.136 0.000 1.037 195 T CA 2.876 64.959 62.100 -0.028 0.000 1.146 195 T CB -0.856 68.055 68.868 0.072 0.000 0.865 195 T HN 0.967 nan 8.240 nan 0.000 0.435 196 T N 1.379 115.873 114.554 -0.100 0.000 2.684 196 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 196 T C 2.131 176.748 174.700 -0.139 0.000 1.036 196 T CA 1.696 63.717 62.100 -0.132 0.000 1.148 196 T CB -0.358 68.490 68.868 -0.032 0.000 0.863 196 T HN 0.329 nan 8.240 nan 0.000 0.436 197 R N 0.815 121.258 120.500 -0.095 0.000 2.083 197 R HA 0.079 4.419 4.340 -0.000 0.000 0.237 197 R C 2.219 178.518 176.300 -0.002 0.000 1.137 197 R CA 1.355 57.427 56.100 -0.047 0.000 0.951 197 R CB -0.833 29.433 30.300 -0.057 0.000 0.851 197 R HN 0.473 nan 8.270 nan 0.000 0.434 198 I N 0.242 120.788 120.570 -0.041 0.000 2.439 198 I HA -0.140 4.029 4.170 -0.000 0.000 0.251 198 I C 1.745 177.903 176.117 0.069 0.000 1.139 198 I CA 1.131 62.464 61.300 0.055 0.000 1.438 198 I CB 0.059 38.075 38.000 0.028 0.000 1.085 198 I HN 0.353 nan 8.210 nan 0.000 0.427 199 I N -2.601 117.937 120.570 -0.053 0.000 3.226 199 I HA 0.100 4.270 4.170 -0.000 0.000 0.277 199 I C 0.922 176.938 176.117 -0.169 0.000 1.243 199 I CA 0.053 61.274 61.300 -0.130 0.000 1.459 199 I CB -0.188 37.601 38.000 -0.352 0.000 1.093 199 I HN -0.099 nan 8.210 nan 0.000 0.453 200 S N 1.554 117.155 115.700 -0.165 0.000 2.548 200 S HA 0.191 4.661 4.470 -0.000 0.000 0.277 200 S C 1.000 175.549 174.600 -0.085 0.000 1.315 200 S CA -0.185 57.928 58.200 -0.144 0.000 1.050 200 S CB 1.474 64.594 63.200 -0.133 0.000 0.918 200 S HN 0.333 nan 8.310 nan 0.000 0.497 201 T N 2.780 117.288 114.554 -0.076 0.000 2.764 201 T HA 0.004 4.353 4.350 -0.000 0.000 0.243 201 T C 0.769 175.426 174.700 -0.071 0.000 1.065 201 T CA 0.789 62.844 62.100 -0.075 0.000 1.219 201 T CB -0.247 68.581 68.868 -0.066 0.000 0.918 201 T HN 0.576 nan 8.240 nan 0.000 0.409 202 T N 3.315 117.833 114.554 -0.060 0.000 2.867 202 T HA 0.119 4.469 4.350 -0.000 0.000 0.297 202 T C 0.650 175.319 174.700 -0.051 0.000 0.989 202 T CA 0.334 62.405 62.100 -0.049 0.000 1.159 202 T CB -0.110 68.737 68.868 -0.036 0.000 0.928 202 T HN 0.523 nan 8.240 nan 0.000 0.538 203 N N 1.070 119.742 118.700 -0.047 0.000 2.741 203 N HA -0.150 4.589 4.740 -0.000 0.000 0.250 203 N C 0.099 175.584 175.510 -0.042 0.000 1.115 203 N CA 1.369 54.394 53.050 -0.041 0.000 0.724 203 N CB -1.036 37.433 38.487 -0.029 0.000 1.090 203 N HN 0.948 nan 8.380 nan 0.000 0.558 204 G N -3.022 105.744 108.800 -0.056 0.000 2.846 204 G HA2 0.550 4.510 3.960 -0.000 0.000 0.299 204 G HA3 0.550 4.510 3.960 -0.000 0.000 0.299 204 G C 0.925 175.775 174.900 -0.083 0.000 1.242 204 G CA 0.026 45.103 45.100 -0.038 0.000 0.800 204 G HN 0.321 nan 8.290 nan 0.000 0.538 205 G N -0.807 107.967 108.800 -0.044 0.000 2.448 205 G HA2 0.048 4.007 3.960 -0.000 0.000 0.219 205 G HA3 0.048 4.007 3.960 -0.000 0.000 0.219 205 G C 1.141 175.958 174.900 -0.138 0.000 1.127 205 G CA 1.086 46.086 45.100 -0.166 0.000 0.766 205 G HN 0.401 nan 8.290 nan 0.000 0.552 206 Q N -0.345 119.391 119.800 -0.106 0.000 2.189 206 Q HA 0.284 4.623 4.340 -0.000 0.000 0.221 206 Q C 1.544 177.477 176.000 -0.111 0.000 0.848 206 Q CA -0.140 55.568 55.803 -0.159 0.000 1.007 206 Q CB 0.784 29.319 28.738 -0.339 0.000 1.116 206 Q HN 0.622 nan 8.270 nan 0.000 0.481 207 E N 0.939 121.076 120.200 -0.105 0.000 2.085 207 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 207 E C -0.073 176.463 176.600 -0.108 0.000 0.994 207 E CA 0.958 57.299 56.400 -0.098 0.000 0.801 207 E CB 0.404 30.041 29.700 -0.106 0.000 0.743 207 E HN 0.218 nan 8.360 nan 0.000 0.453 208 R N -0.887 119.524 120.500 -0.149 0.000 2.836 208 R HA 0.475 4.815 4.340 -0.000 0.000 0.269 208 R C -0.847 175.223 176.300 -0.384 0.000 1.010 208 R CA -0.850 55.081 56.100 -0.282 0.000 0.930 208 R CB 1.883 32.001 30.300 -0.302 0.000 1.218 208 R HN -0.155 nan 8.270 nan 0.000 0.473 209 K N 0.912 120.916 120.400 -0.660 0.000 2.444 209 K HA 0.417 4.737 4.320 -0.000 0.000 0.252 209 K C -0.975 175.289 176.600 -0.560 0.000 0.993 209 K CA -0.792 55.102 56.287 -0.655 0.000 0.847 209 K CB 1.697 33.844 32.500 -0.588 0.000 1.340 209 K HN 0.270 nan 8.250 nan 0.000 0.446 210 F N 1.126 121.004 119.950 -0.120 0.000 2.427 210 F HA 0.107 4.634 4.527 -0.000 0.000 0.352 210 F C 0.712 176.573 175.800 0.102 0.000 1.100 210 F CA -0.979 57.009 58.000 -0.019 0.000 1.191 210 F CB 1.003 39.974 39.000 -0.050 0.000 1.128 210 F HN 0.024 nan 8.300 nan 0.000 0.533 211 V N 3.952 124.082 119.914 0.359 0.000 2.509 211 V HA 0.178 4.298 4.120 -0.000 0.000 0.297 211 V C 0.971 176.996 176.094 -0.115 0.000 1.014 211 V CA 1.395 63.830 62.300 0.225 0.000 1.127 211 V CB 0.100 32.023 31.823 0.166 0.000 0.925 211 V HN 1.119 nan 8.190 nan 0.000 0.480 212 G N 3.167 111.553 108.800 -0.691 0.000 2.217 212 G HA2 0.146 4.106 3.960 -0.000 0.000 0.246 212 G HA3 0.146 4.106 3.960 -0.000 0.000 0.246 212 G C 0.839 175.243 174.900 -0.827 0.000 0.990 212 G CA -0.008 44.417 45.100 -1.125 0.000 0.627 212 G HN 2.407 nan 8.290 nan 0.000 0.522 213 G N -1.695 106.907 108.800 -0.330 0.000 2.479 213 G HA2 0.407 4.367 3.960 -0.000 0.000 0.686 213 G HA3 0.407 4.367 3.960 -0.000 0.000 0.686 213 G C 0.682 175.610 174.900 0.047 0.000 1.295 213 G CA 0.915 45.998 45.100 -0.028 0.000 0.922 213 G HN 1.882 nan 8.290 nan 0.000 0.582 214 S N -1.098 114.666 115.700 0.105 0.000 2.497 214 S HA 0.317 4.786 4.470 -0.000 0.000 0.218 214 S C 2.476 177.089 174.600 0.020 0.000 1.023 214 S CA 1.265 59.528 58.200 0.105 0.000 0.913 214 S CB 0.370 63.716 63.200 0.244 0.000 0.800 214 S HN 2.190 nan 8.310 nan 0.000 0.505 215 G N 2.000 110.834 108.800 0.056 0.000 2.503 215 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.221 215 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.221 215 G C 1.434 176.333 174.900 -0.000 0.000 1.131 215 G CA 1.109 46.249 45.100 0.067 0.000 0.756 215 G HN 0.599 nan 8.290 nan 0.000 0.572 216 Q N -0.296 119.472 119.800 -0.053 0.000 2.156 216 Q HA -0.172 4.168 4.340 -0.000 0.000 0.211 216 Q C 2.835 178.762 176.000 -0.123 0.000 0.995 216 Q CA 1.695 57.438 55.803 -0.099 0.000 0.877 216 Q CB -0.417 28.231 28.738 -0.150 0.000 0.920 216 Q HN 0.449 nan 8.270 nan 0.000 0.416 217 V N 0.951 120.765 119.914 -0.166 0.000 2.231 217 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 217 V C 2.318 178.357 176.094 -0.092 0.000 1.054 217 V CA 2.310 64.505 62.300 -0.175 0.000 1.015 217 V CB -0.824 30.880 31.823 -0.198 0.000 0.638 217 V HN 0.478 nan 8.190 nan 0.000 0.444 218 S N -1.076 114.596 115.700 -0.047 0.000 2.436 218 S HA -0.115 4.354 4.470 -0.000 0.000 0.228 218 S C 1.756 176.340 174.600 -0.026 0.000 1.014 218 S CA 1.016 59.201 58.200 -0.025 0.000 0.950 218 S CB -0.263 62.939 63.200 0.004 0.000 0.784 218 S HN 0.651 nan 8.310 nan 0.000 0.504 219 E N 1.697 121.883 120.200 -0.023 0.000 2.023 219 E HA -0.096 4.253 4.350 -0.000 0.000 0.196 219 E C 2.399 178.975 176.600 -0.040 0.000 1.003 219 E CA 1.174 57.561 56.400 -0.022 0.000 0.809 219 E CB -0.094 29.595 29.700 -0.017 0.000 0.755 219 E HN 0.431 nan 8.360 nan 0.000 0.449 220 R N 0.093 120.559 120.500 -0.056 0.000 2.152 220 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 220 R C 2.322 178.586 176.300 -0.061 0.000 1.117 220 R CA 0.882 56.946 56.100 -0.061 0.000 0.981 220 R CB -0.213 30.042 30.300 -0.076 0.000 0.870 220 R HN 0.290 nan 8.270 nan 0.000 0.451 221 I N 0.495 121.028 120.570 -0.062 0.000 2.353 221 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 221 I C 2.625 178.697 176.117 -0.076 0.000 1.119 221 I CA 0.989 62.248 61.300 -0.068 0.000 1.417 221 I CB -0.171 37.794 38.000 -0.058 0.000 1.078 221 I HN 0.196 nan 8.210 nan 0.000 0.421 222 M N 0.848 120.413 119.600 -0.058 0.000 2.213 222 M HA -0.237 4.243 4.480 -0.000 0.000 0.263 222 M C 1.545 177.809 176.300 -0.060 0.000 1.062 222 M CA 1.903 57.169 55.300 -0.056 0.000 1.105 222 M CB -0.154 32.425 32.600 -0.036 0.000 1.385 222 M HN 0.125 nan 8.290 nan 0.000 0.417 223 D N 0.739 121.106 120.400 -0.054 0.000 2.097 223 D HA -0.124 4.515 4.640 -0.000 0.000 0.195 223 D C 1.986 178.248 176.300 -0.063 0.000 0.989 223 D CA 1.388 55.359 54.000 -0.049 0.000 0.827 223 D CB -0.455 40.321 40.800 -0.040 0.000 0.966 223 D HN 0.423 nan 8.370 nan 0.000 0.456 224 L N 0.186 121.358 121.223 -0.084 0.000 2.353 224 L HA -0.064 4.276 4.340 -0.000 0.000 0.220 224 L C 1.944 178.699 176.870 -0.193 0.000 1.133 224 L CA 0.456 55.230 54.840 -0.110 0.000 0.798 224 L CB -0.108 41.883 42.059 -0.113 0.000 0.922 224 L HN 0.031 nan 8.230 nan 0.000 0.445 225 L N -1.133 119.977 121.223 -0.187 0.000 2.640 225 L HA 0.241 4.581 4.340 -0.000 0.000 0.230 225 L C 1.656 178.461 176.870 -0.107 0.000 1.123 225 L CA 0.081 54.783 54.840 -0.230 0.000 0.900 225 L CB -0.474 41.466 42.059 -0.198 0.000 1.146 225 L HN 0.357 nan 8.230 nan 0.000 0.484 226 G N 2.364 111.123 108.800 -0.068 0.000 2.661 226 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.327 226 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.327 226 G C 0.704 175.591 174.900 -0.021 0.000 1.320 226 G CA 0.675 45.757 45.100 -0.030 0.000 0.997 226 G HN 0.576 nan 8.290 nan 0.000 0.543 227 D N 0.716 121.115 120.400 -0.002 0.000 2.378 227 D HA -0.015 4.625 4.640 -0.000 0.000 0.227 227 D C 2.061 178.369 176.300 0.013 0.000 1.012 227 D CA 0.739 54.743 54.000 0.008 0.000 0.905 227 D CB -0.245 40.566 40.800 0.019 0.000 0.895 227 D HN 0.581 nan 8.370 nan 0.000 0.532 228 R N -0.040 120.461 120.500 0.002 0.000 2.148 228 R HA 0.064 4.404 4.340 -0.000 0.000 0.223 228 R C 0.443 176.736 176.300 -0.012 0.000 1.088 228 R CA 0.257 56.361 56.100 0.007 0.000 0.985 228 R CB 0.290 30.590 30.300 0.000 0.000 0.880 228 R HN 0.057 nan 8.270 nan 0.000 0.451 229 V N 3.077 122.974 119.914 -0.028 0.000 2.461 229 V HA 0.068 4.188 4.120 -0.000 0.000 0.275 229 V C -0.177 175.898 176.094 -0.032 0.000 1.047 229 V CA -0.092 62.184 62.300 -0.040 0.000 0.955 229 V CB 1.389 33.187 31.823 -0.042 0.000 0.988 229 V HN 0.071 nan 8.190 nan 0.000 0.471 230 K N 6.815 127.183 120.400 -0.053 0.000 2.347 230 K HA 0.498 4.817 4.320 -0.000 0.000 0.262 230 K C -0.538 176.028 176.600 -0.056 0.000 1.052 230 K CA -0.318 55.946 56.287 -0.038 0.000 0.946 230 K CB 1.399 33.880 32.500 -0.032 0.000 1.220 230 K HN 0.484 nan 8.250 nan 0.000 0.450 231 L N 1.111 122.309 121.223 -0.041 0.000 2.472 231 L HA 0.082 4.422 4.340 -0.000 0.000 0.260 231 L C 0.900 177.737 176.870 -0.055 0.000 1.209 231 L CA -0.097 54.711 54.840 -0.052 0.000 0.817 231 L CB -0.051 41.985 42.059 -0.038 0.000 1.106 231 L HN 0.706 nan 8.230 nan 0.000 0.479 232 E N -0.153 120.000 120.200 -0.077 0.000 2.586 232 E HA -0.225 4.125 4.350 -0.000 0.000 0.259 232 E C -0.548 176.002 176.600 -0.082 0.000 1.107 232 E CA 0.448 56.800 56.400 -0.080 0.000 0.754 232 E CB -0.474 29.199 29.700 -0.045 0.000 1.335 232 E HN 0.310 nan 8.360 nan 0.000 0.411 233 R N 0.066 120.501 120.500 -0.108 0.000 2.724 233 R HA 0.272 4.611 4.340 -0.000 0.000 0.284 233 R C -2.727 173.490 176.300 -0.138 0.000 1.481 233 R CA -2.096 53.946 56.100 -0.096 0.000 1.652 233 R CB 0.690 30.938 30.300 -0.088 0.000 1.175 233 R HN -0.027 nan 8.270 nan 0.000 0.613 234 P HA 0.052 nan 4.420 nan 0.000 0.276 234 P C -0.234 177.034 177.300 -0.052 0.000 1.253 234 P CA -0.257 62.748 63.100 -0.159 0.000 0.766 234 P CB 0.957 32.570 31.700 -0.145 0.000 0.845 235 V N 5.553 125.445 119.914 -0.037 0.000 2.585 235 V HA -0.004 4.116 4.120 -0.000 0.000 0.296 235 V C 1.738 177.851 176.094 0.032 0.000 1.035 235 V CA 0.607 62.903 62.300 -0.007 0.000 1.084 235 V CB 0.077 31.887 31.823 -0.022 0.000 0.953 235 V HN 0.534 nan 8.190 nan 0.000 0.483 236 I N 1.644 122.243 120.570 0.047 0.000 4.327 236 I HA 0.462 4.632 4.170 -0.000 0.000 0.331 236 I C -0.091 176.101 176.117 0.126 0.000 1.348 236 I CA -0.035 61.317 61.300 0.087 0.000 1.152 236 I CB 0.511 38.548 38.000 0.062 0.000 1.151 236 I HN 0.503 nan 8.210 nan 0.000 0.410 237 Y N 1.698 121.937 120.300 -0.102 0.000 2.333 237 Y HA 0.641 5.191 4.550 -0.001 0.000 0.319 237 Y C -1.884 173.920 175.900 -0.159 0.000 1.200 237 Y CA -1.105 56.916 58.100 -0.131 0.000 1.084 237 Y CB 1.376 39.797 38.460 -0.066 0.000 1.268 237 Y HN -0.002 nan 8.280 nan 0.000 0.422 238 I N 5.697 125.828 120.570 -0.732 0.000 2.465 238 I HA 0.341 4.511 4.170 -0.000 0.000 0.291 238 I C -1.261 174.477 176.117 -0.633 0.000 1.014 238 I CA -0.640 60.353 61.300 -0.512 0.000 1.093 238 I CB 1.764 39.568 38.000 -0.327 0.000 1.267 238 I HN 0.538 nan 8.210 nan 0.000 0.431 239 D N 5.616 125.785 120.400 -0.385 0.000 2.481 239 D HA 0.275 4.914 4.640 -0.000 0.000 0.246 239 D C -0.354 175.915 176.300 -0.052 0.000 1.109 239 D CA -0.221 53.639 54.000 -0.235 0.000 0.845 239 D CB 1.639 42.428 40.800 -0.019 0.000 1.160 239 D HN 0.483 nan 8.370 nan 0.000 0.534 240 Q N 1.936 121.727 119.800 -0.016 0.000 2.155 240 Q HA 0.116 4.455 4.340 -0.000 0.000 0.220 240 Q C 0.959 176.968 176.000 0.015 0.000 0.819 240 Q CA -0.044 55.764 55.803 0.007 0.000 1.032 240 Q CB 0.876 29.627 28.738 0.022 0.000 1.151 240 Q HN 0.481 nan 8.270 nan 0.000 0.487 241 T N 0.367 114.937 114.554 0.026 0.000 2.708 241 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 241 T C 1.099 175.813 174.700 0.023 0.000 1.037 241 T CA 1.140 63.259 62.100 0.032 0.000 1.146 241 T CB 0.106 69.003 68.868 0.049 0.000 0.865 241 T HN 0.155 nan 8.240 nan 0.000 0.435 242 R N 0.607 121.121 120.500 0.022 0.000 2.611 242 R HA 0.274 4.614 4.340 -0.000 0.000 0.243 242 R C 2.019 178.318 176.300 -0.001 0.000 1.260 242 R CA -0.261 55.847 56.100 0.013 0.000 1.095 242 R CB 0.152 30.463 30.300 0.018 0.000 1.259 242 R HN 0.146 nan 8.270 nan 0.000 0.575 243 E N 0.329 120.525 120.200 -0.007 0.000 2.047 243 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 243 E C -0.264 176.312 176.600 -0.040 0.000 0.987 243 E CA 0.940 57.327 56.400 -0.021 0.000 0.799 243 E CB 0.158 29.848 29.700 -0.016 0.000 0.752 243 E HN 0.298 nan 8.360 nan 0.000 0.449 244 N N 0.284 118.967 118.700 -0.028 0.000 2.487 244 N HA 0.149 4.888 4.740 -0.000 0.000 0.292 244 N C -0.817 174.682 175.510 -0.019 0.000 1.108 244 N CA -0.263 52.766 53.050 -0.036 0.000 0.956 244 N CB 2.037 40.513 38.487 -0.018 0.000 1.176 244 N HN -0.175 nan 8.380 nan 0.000 0.484 245 V N 2.467 122.365 119.914 -0.027 0.000 2.488 245 V HA 0.207 4.327 4.120 -0.000 0.000 0.277 245 V C 0.530 176.639 176.094 0.026 0.000 1.046 245 V CA -0.434 61.864 62.300 -0.004 0.000 0.986 245 V CB 0.178 31.997 31.823 -0.006 0.000 0.989 245 V HN 0.367 nan 8.190 nan 0.000 0.475 246 L N 5.659 126.906 121.223 0.040 0.000 2.289 246 L HA 0.573 4.912 4.340 -0.000 0.000 0.285 246 L C -0.406 176.510 176.870 0.077 0.000 1.049 246 L CA -0.396 54.492 54.840 0.080 0.000 0.804 246 L CB 1.644 43.774 42.059 0.117 0.000 1.195 246 L HN 0.393 nan 8.230 nan 0.000 0.428 247 V N 2.550 122.535 119.914 0.119 0.000 2.444 247 V HA 0.400 4.520 4.120 -0.000 0.000 0.294 247 V C -0.318 175.891 176.094 0.191 0.000 1.022 247 V CA -0.662 61.702 62.300 0.107 0.000 0.850 247 V CB 1.668 33.535 31.823 0.074 0.000 0.992 247 V HN 0.732 nan 8.190 nan 0.000 0.426 248 E N 2.601 122.913 120.200 0.187 0.000 2.199 248 E HA 0.624 4.974 4.350 -0.000 0.000 0.269 248 E C -0.354 176.322 176.600 0.128 0.000 0.899 248 E CA -0.462 56.054 56.400 0.194 0.000 0.772 248 E CB 2.054 31.879 29.700 0.208 0.000 1.155 248 E HN 0.863 nan 8.360 nan 0.000 0.408 249 T N 0.805 115.428 114.554 0.115 0.000 2.936 249 T HA 0.187 4.537 4.350 -0.000 0.000 0.282 249 T C 1.027 175.702 174.700 -0.041 0.000 1.003 249 T CA -0.788 61.336 62.100 0.040 0.000 1.005 249 T CB 1.018 69.921 68.868 0.058 0.000 1.097 249 T HN 0.420 nan 8.240 nan 0.000 0.532 250 L N 1.557 122.734 121.223 -0.077 0.000 2.191 250 L HA 0.004 4.343 4.340 -0.000 0.000 0.212 250 L C 2.015 178.661 176.870 -0.373 0.000 1.103 250 L CA 2.078 56.825 54.840 -0.156 0.000 0.769 250 L CB -1.084 40.929 42.059 -0.076 0.000 0.908 250 L HN 0.934 nan 8.230 nan 0.000 0.438 251 N N -2.462 116.071 118.700 -0.279 0.000 2.398 251 N HA -0.080 4.659 4.740 -0.000 0.000 0.188 251 N C 0.377 175.716 175.510 -0.286 0.000 1.122 251 N CA 0.999 53.859 53.050 -0.317 0.000 0.866 251 N CB -0.200 38.238 38.487 -0.082 0.000 0.970 251 N HN 0.590 nan 8.380 nan 0.000 0.462 252 H N -3.473 115.612 119.070 0.024 0.000 3.823 252 H HA -0.110 4.446 4.556 -0.000 0.000 0.147 252 H C -0.917 174.417 175.328 0.011 0.000 0.743 252 H CA 0.473 56.525 56.048 0.007 0.000 1.233 252 H CB -1.626 28.128 29.762 -0.013 0.000 0.773 252 H HN 0.321 nan 8.280 nan 0.000 0.535 253 E N 2.215 122.484 120.200 0.116 0.000 2.398 253 E HA 0.214 4.563 4.350 -0.000 0.000 0.263 253 E C 0.175 176.809 176.600 0.057 0.000 1.046 253 E CA 0.167 56.598 56.400 0.051 0.000 0.908 253 E CB 0.572 30.326 29.700 0.090 0.000 0.963 253 E HN 0.099 nan 8.360 nan 0.000 0.431 254 M N 2.496 122.037 119.600 -0.098 0.000 2.364 254 M HA 0.354 4.834 4.480 -0.000 0.000 0.334 254 M C -1.170 174.995 176.300 -0.225 0.000 1.107 254 M CA -0.550 54.732 55.300 -0.029 0.000 0.988 254 M CB 0.965 33.551 32.600 -0.022 0.000 1.673 254 M HN 0.458 nan 8.290 nan 0.000 0.441 255 Y N 0.143 120.461 120.300 0.030 0.000 2.462 255 Y HA 0.480 5.029 4.550 -0.000 0.000 0.346 255 Y C -0.056 175.857 175.900 0.023 0.000 0.976 255 Y CA -0.716 57.398 58.100 0.023 0.000 1.044 255 Y CB 1.872 40.343 38.460 0.019 0.000 1.230 255 Y HN 0.571 nan 8.280 nan 0.000 0.455 256 E N 1.464 121.749 120.200 0.142 0.000 2.210 256 E HA 0.847 5.196 4.350 -0.000 0.000 0.266 256 E C -1.438 175.207 176.600 0.075 0.000 0.883 256 E CA -0.844 55.604 56.400 0.081 0.000 0.761 256 E CB 1.899 31.622 29.700 0.039 0.000 1.156 256 E HN 0.738 nan 8.360 nan 0.000 0.412 257 A N 2.860 125.708 122.820 0.047 0.000 2.594 257 A HA 0.326 4.645 4.320 -0.000 0.000 0.295 257 A C 0.080 177.643 177.584 -0.034 0.000 1.071 257 A CA -0.632 51.424 52.037 0.032 0.000 0.685 257 A CB 1.432 20.470 19.000 0.063 0.000 1.285 257 A HN 0.641 nan 8.150 nan 0.000 0.405 258 K N -0.549 119.814 120.400 -0.062 0.000 2.097 258 K HA -0.008 4.311 4.320 -0.000 0.000 0.206 258 K C -0.601 175.660 176.600 -0.565 0.000 1.049 258 K CA 1.686 57.808 56.287 -0.276 0.000 0.933 258 K CB -0.131 32.252 32.500 -0.195 0.000 0.717 258 K HN 0.621 nan 8.250 nan 0.000 0.442 259 Y N -1.490 118.830 120.300 0.033 0.000 2.588 259 Y HA 0.388 4.938 4.550 -0.000 0.000 0.343 259 Y C -0.723 175.199 175.900 0.038 0.000 1.065 259 Y CA -1.269 56.861 58.100 0.049 0.000 1.038 259 Y CB 2.045 40.508 38.460 0.005 0.000 1.297 259 Y HN -0.434 nan 8.280 nan 0.000 0.467 260 V N 3.466 123.517 119.914 0.229 0.000 2.638 260 V HA 0.437 4.557 4.120 -0.000 0.000 0.306 260 V C -0.659 175.485 176.094 0.083 0.000 1.052 260 V CA -0.842 61.526 62.300 0.112 0.000 0.885 260 V CB 2.068 33.928 31.823 0.062 0.000 0.999 260 V HN 0.550 nan 8.190 nan 0.000 0.424 261 I N 3.201 123.794 120.570 0.037 0.000 2.321 261 I HA 0.341 4.510 4.170 -0.000 0.000 0.291 261 I C 0.309 176.430 176.117 0.008 0.000 0.998 261 I CA -0.063 61.243 61.300 0.009 0.000 1.227 261 I CB 1.824 39.832 38.000 0.013 0.000 1.368 261 I HN 0.624 nan 8.210 nan 0.000 0.466 262 S N 5.563 121.252 115.700 -0.018 0.000 2.410 262 S HA 0.564 5.034 4.470 -0.000 0.000 0.304 262 S C 0.281 174.989 174.600 0.180 0.000 1.095 262 S CA -0.432 57.831 58.200 0.105 0.000 1.089 262 S CB 0.760 64.085 63.200 0.207 0.000 0.968 262 S HN 0.725 nan 8.310 nan 0.000 0.480 263 A N 5.798 128.703 122.820 0.142 0.000 2.855 263 A HA 0.466 4.786 4.320 -0.000 0.000 0.301 263 A C 0.264 177.932 177.584 0.141 0.000 1.076 263 A CA -0.691 51.432 52.037 0.143 0.000 1.004 263 A CB -0.532 18.527 19.000 0.098 0.000 1.152 263 A HN 0.934 nan 8.150 nan 0.000 0.531 264 I N -3.623 117.047 120.570 0.165 0.000 2.863 264 I HA 0.719 4.888 4.170 -0.000 0.000 0.311 264 I C -2.875 173.336 176.117 0.156 0.000 1.026 264 I CA -3.050 58.342 61.300 0.154 0.000 1.077 264 I CB 1.427 39.520 38.000 0.156 0.000 1.262 264 I HN -0.131 nan 8.210 nan 0.000 0.461 265 P HA 0.207 nan 4.420 nan 0.000 0.268 265 P C -2.220 175.128 177.300 0.080 0.000 1.205 265 P CA -0.877 62.289 63.100 0.111 0.000 0.771 265 P CB 0.045 31.800 31.700 0.092 0.000 0.858 266 P HA -0.273 nan 4.420 nan 0.000 0.216 266 P C 1.632 178.906 177.300 -0.044 0.000 1.167 266 P CA 2.131 65.223 63.100 -0.015 0.000 0.933 266 P CB -0.457 31.209 31.700 -0.057 0.000 0.793 267 T N -1.490 113.015 114.554 -0.082 0.000 2.946 267 T HA -0.094 4.256 4.350 -0.000 0.000 0.271 267 T C 1.433 176.112 174.700 -0.035 0.000 1.104 267 T CA 0.718 62.757 62.100 -0.102 0.000 1.114 267 T CB -0.785 67.993 68.868 -0.150 0.000 0.867 267 T HN -0.034 nan 8.240 nan 0.000 0.513 268 L N 0.134 121.368 121.223 0.019 0.000 2.591 268 L HA 0.220 4.560 4.340 -0.000 0.000 0.228 268 L C 2.624 179.558 176.870 0.106 0.000 1.133 268 L CA 0.468 55.343 54.840 0.059 0.000 0.880 268 L CB -0.500 41.615 42.059 0.094 0.000 1.033 268 L HN 0.337 nan 8.230 nan 0.000 0.450 269 G N -0.191 108.678 108.800 0.116 0.000 2.470 269 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 269 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 269 G C 1.573 176.603 174.900 0.217 0.000 1.121 269 G CA 0.118 45.346 45.100 0.213 0.000 0.766 269 G HN 0.141 nan 8.290 nan 0.000 0.553 270 M N 0.317 119.973 119.600 0.093 0.000 2.346 270 M HA -0.008 4.472 4.480 -0.000 0.000 0.263 270 M C 1.986 178.312 176.300 0.044 0.000 1.064 270 M CA 1.006 56.333 55.300 0.045 0.000 1.083 270 M CB -0.407 32.182 32.600 -0.019 0.000 1.399 270 M HN 0.165 nan 8.290 nan 0.000 0.435 271 K N -0.012 120.436 120.400 0.079 0.000 2.487 271 K HA 0.204 4.523 4.320 -0.000 0.000 0.192 271 K C 0.325 176.995 176.600 0.117 0.000 1.027 271 K CA 0.329 56.668 56.287 0.088 0.000 1.054 271 K CB 0.292 32.859 32.500 0.112 0.000 0.824 271 K HN 0.326 nan 8.250 nan 0.000 0.510 272 I N 0.977 121.594 120.570 0.077 0.000 2.441 272 I HA 0.129 4.298 4.170 -0.000 0.000 0.295 272 I C 0.091 176.134 176.117 -0.123 0.000 0.994 272 I CA -0.754 60.510 61.300 -0.060 0.000 1.144 272 I CB 1.547 39.372 38.000 -0.291 0.000 1.314 272 I HN 0.038 nan 8.210 nan 0.000 0.445 273 H N 6.107 125.079 119.070 -0.162 0.000 2.620 273 H HA 0.304 4.860 4.556 -0.000 0.000 0.313 273 H C -1.050 174.100 175.328 -0.296 0.000 1.075 273 H CA -0.120 55.900 56.048 -0.046 0.000 1.397 273 H CB 0.940 30.789 29.762 0.145 0.000 1.446 273 H HN 0.293 nan 8.280 nan 0.000 0.493 274 F N 1.893 121.864 119.950 0.034 0.000 2.458 274 F HA 0.201 4.728 4.527 -0.001 0.000 0.330 274 F C 0.587 176.347 175.800 -0.067 0.000 1.082 274 F CA -0.702 57.250 58.000 -0.080 0.000 0.995 274 F CB 1.439 40.414 39.000 -0.041 0.000 1.170 274 F HN 0.493 nan 8.300 nan 0.000 0.478 275 N N 3.155 121.883 118.700 0.046 0.000 2.519 275 N HA 0.353 5.093 4.740 -0.000 0.000 0.291 275 N C -3.157 172.381 175.510 0.046 0.000 1.107 275 N CA -2.060 51.024 53.050 0.056 0.000 0.904 275 N CB 2.182 40.708 38.487 0.066 0.000 1.500 275 N HN 0.063 nan 8.380 nan 0.000 0.510 276 P HA 0.299 nan 4.420 nan 0.000 0.272 276 P C -2.574 174.779 177.300 0.087 0.000 1.240 276 P CA -0.862 62.280 63.100 0.070 0.000 0.791 276 P CB -0.351 31.377 31.700 0.046 0.000 0.978 277 P HA -0.004 nan 4.420 nan 0.000 0.267 277 P C 0.054 177.357 177.300 0.004 0.000 1.195 277 P CA 0.607 63.745 63.100 0.065 0.000 0.773 277 P CB 0.136 31.861 31.700 0.042 0.000 0.837 278 L N 4.101 125.281 121.223 -0.072 0.000 2.467 278 L HA 0.179 4.519 4.340 -0.000 0.000 0.270 278 L C -1.637 175.175 176.870 -0.097 0.000 1.205 278 L CA -1.702 53.035 54.840 -0.171 0.000 0.828 278 L CB -0.749 41.111 42.059 -0.332 0.000 1.101 278 L HN 0.309 nan 8.230 nan 0.000 0.479 279 P HA -0.108 nan 4.420 nan 0.000 0.266 279 P C 0.691 177.955 177.300 -0.060 0.000 1.186 279 P CA 0.106 63.169 63.100 -0.061 0.000 0.767 279 P CB 0.429 32.093 31.700 -0.061 0.000 0.820 280 M N 2.668 122.245 119.600 -0.038 0.000 2.110 280 M HA -0.255 4.224 4.480 -0.000 0.000 0.257 280 M C 1.319 177.615 176.300 -0.005 0.000 1.071 280 M CA 2.345 57.631 55.300 -0.023 0.000 1.096 280 M CB -0.459 32.132 32.600 -0.015 0.000 1.300 280 M HN 0.193 nan 8.290 nan 0.000 0.411 281 M N -0.063 119.534 119.600 -0.005 0.000 2.088 281 M HA -0.241 4.239 4.480 -0.000 0.000 0.256 281 M C 2.321 178.649 176.300 0.048 0.000 1.071 281 M CA 2.280 57.608 55.300 0.047 0.000 1.097 281 M CB -1.632 30.948 32.600 -0.033 0.000 1.315 281 M HN 0.441 nan 8.290 nan 0.000 0.406 282 R N 0.275 120.739 120.500 -0.059 0.000 2.066 282 R HA -0.161 4.179 4.340 -0.000 0.000 0.232 282 R C 2.013 178.219 176.300 -0.158 0.000 1.131 282 R CA 1.930 57.947 56.100 -0.139 0.000 0.955 282 R CB -0.409 29.767 30.300 -0.206 0.000 0.851 282 R HN 0.396 nan 8.270 nan 0.000 0.432 283 N N 0.133 118.750 118.700 -0.138 0.000 2.091 283 N HA -0.253 4.487 4.740 -0.000 0.000 0.193 283 N C 1.613 177.044 175.510 -0.132 0.000 1.021 283 N CA 2.132 55.105 53.050 -0.128 0.000 0.862 283 N CB -0.009 38.425 38.487 -0.088 0.000 1.018 283 N HN 0.426 nan 8.380 nan 0.000 0.429 284 Q N -1.241 118.488 119.800 -0.118 0.000 2.204 284 Q HA -0.024 4.316 4.340 -0.000 0.000 0.198 284 Q C 1.998 177.740 176.000 -0.428 0.000 0.946 284 Q CA 0.568 56.253 55.803 -0.197 0.000 0.859 284 Q CB -0.102 28.587 28.738 -0.080 0.000 0.946 284 Q HN 0.487 nan 8.270 nan 0.000 0.474 285 M N 1.612 120.962 119.600 -0.416 0.000 2.088 285 M HA -0.196 4.284 4.480 -0.000 0.000 0.256 285 M C 1.995 178.046 176.300 -0.414 0.000 1.071 285 M CA 1.742 56.735 55.300 -0.512 0.000 1.097 285 M CB -0.549 31.945 32.600 -0.177 0.000 1.315 285 M HN 0.319 nan 8.290 nan 0.000 0.406 286 I N -1.218 119.174 120.570 -0.296 0.000 3.369 286 I HA -0.073 4.096 4.170 -0.000 0.000 0.288 286 I C 1.198 177.169 176.117 -0.243 0.000 1.321 286 I CA 1.316 62.468 61.300 -0.247 0.000 1.358 286 I CB -0.896 36.997 38.000 -0.178 0.000 1.038 286 I HN 0.338 nan 8.210 nan 0.000 0.516 287 T N -2.943 111.439 114.554 -0.287 0.000 3.044 287 T HA 0.323 4.673 4.350 -0.000 0.000 0.260 287 T C 1.345 175.857 174.700 -0.314 0.000 1.019 287 T CA -0.331 61.617 62.100 -0.253 0.000 0.921 287 T CB 0.001 68.748 68.868 -0.203 0.000 1.053 287 T HN 0.403 nan 8.240 nan 0.000 0.533 288 R N 1.230 121.481 120.500 -0.416 0.000 2.509 288 R HA 0.349 4.689 4.340 -0.000 0.000 0.300 288 R C -0.091 175.867 176.300 -0.570 0.000 0.985 288 R CA -0.040 55.786 56.100 -0.457 0.000 1.092 288 R CB 1.200 31.177 30.300 -0.539 0.000 1.237 288 R HN 0.428 nan 8.270 nan 0.000 0.546 289 V N -0.998 118.570 119.914 -0.576 0.000 2.383 289 V HA 0.469 4.588 4.120 -0.000 0.000 0.261 289 V C -2.682 173.051 176.094 -0.602 0.000 0.987 289 V CA -2.447 59.398 62.300 -0.759 0.000 0.853 289 V CB 0.688 32.019 31.823 -0.820 0.000 1.095 289 V HN -0.100 nan 8.190 nan 0.000 0.461 290 P HA 0.474 nan 4.420 nan 0.000 0.274 290 P C -0.526 176.506 177.300 -0.447 0.000 1.237 290 P CA -0.297 62.485 63.100 -0.529 0.000 0.793 290 P CB 1.859 33.208 31.700 -0.584 0.000 0.977 291 L N 0.554 121.677 121.223 -0.166 0.000 2.352 291 L HA 0.573 4.912 4.340 -0.000 0.000 0.269 291 L C 1.500 178.436 176.870 0.110 0.000 1.034 291 L CA -0.251 54.582 54.840 -0.012 0.000 0.806 291 L CB 0.741 42.807 42.059 0.012 0.000 1.244 291 L HN 0.464 nan 8.230 nan 0.000 0.447 292 G N 0.125 108.995 108.800 0.117 0.000 2.611 292 G HA2 0.426 4.385 3.960 -0.000 0.000 0.273 292 G HA3 0.426 4.385 3.960 -0.000 0.000 0.273 292 G C -0.830 174.057 174.900 -0.021 0.000 1.305 292 G CA -0.363 44.753 45.100 0.027 0.000 1.010 292 G HN 0.512 nan 8.290 nan 0.000 0.509 293 S N -1.448 114.206 115.700 -0.076 0.000 2.594 293 S HA 0.595 5.065 4.470 -0.000 0.000 0.296 293 S C -1.043 173.525 174.600 -0.052 0.000 1.124 293 S CA -0.540 57.645 58.200 -0.025 0.000 1.011 293 S CB 1.736 64.935 63.200 -0.001 0.000 1.016 293 S HN 0.845 nan 8.310 nan 0.000 0.485 294 V N 4.413 124.346 119.914 0.032 0.000 3.077 294 V HA 0.587 4.706 4.120 -0.000 0.000 0.299 294 V C -1.957 174.275 176.094 0.231 0.000 1.276 294 V CA -0.822 61.524 62.300 0.078 0.000 0.993 294 V CB 1.831 33.631 31.823 -0.038 0.000 1.076 294 V HN 0.902 nan 8.190 nan 0.000 0.434 295 I N 4.942 125.665 120.570 0.255 0.000 2.389 295 I HA 0.512 4.682 4.170 -0.000 0.000 0.288 295 I C -0.195 176.153 176.117 0.385 0.000 0.999 295 I CA -0.686 60.787 61.300 0.288 0.000 1.129 295 I CB 1.728 39.842 38.000 0.189 0.000 1.288 295 I HN 0.504 nan 8.210 nan 0.000 0.444 296 K N 5.545 126.208 120.400 0.437 0.000 2.227 296 K HA 0.561 4.881 4.320 -0.000 0.000 0.280 296 K C -1.374 175.335 176.600 0.182 0.000 1.041 296 K CA -0.318 56.203 56.287 0.389 0.000 0.905 296 K CB 0.958 33.744 32.500 0.477 0.000 1.068 296 K HN 0.701 nan 8.250 nan 0.000 0.470 297 C N 5.315 124.680 119.300 0.109 0.000 2.431 297 C HA 0.574 5.034 4.460 -0.000 0.000 0.321 297 C C -0.781 174.219 174.990 0.018 0.000 1.202 297 C CA -1.162 57.895 59.018 0.064 0.000 1.398 297 C CB -0.041 27.835 27.740 0.228 0.000 2.047 297 C HN 0.707 nan 8.230 nan 0.000 0.465 298 I N 2.783 123.297 120.570 -0.093 0.000 2.447 298 I HA 0.511 4.681 4.170 -0.000 0.000 0.287 298 I C -0.398 175.639 176.117 -0.134 0.000 1.023 298 I CA -0.236 60.966 61.300 -0.163 0.000 1.083 298 I CB 1.656 39.516 38.000 -0.234 0.000 1.245 298 I HN 0.363 nan 8.210 nan 0.000 0.434 299 V N 6.712 126.539 119.914 -0.144 0.000 2.409 299 V HA 0.395 4.515 4.120 -0.000 0.000 0.291 299 V C -0.807 175.003 176.094 -0.472 0.000 1.020 299 V CA -0.723 61.518 62.300 -0.098 0.000 0.848 299 V CB 1.173 33.014 31.823 0.029 0.000 0.990 299 V HN 0.419 nan 8.190 nan 0.000 0.430 300 Y N 4.361 124.571 120.300 -0.151 0.000 2.308 300 Y HA 0.598 5.147 4.550 -0.001 0.000 0.329 300 Y C -0.232 175.540 175.900 -0.214 0.000 1.111 300 Y CA -0.161 57.907 58.100 -0.053 0.000 1.179 300 Y CB 1.159 39.697 38.460 0.130 0.000 1.201 300 Y HN 0.525 nan 8.280 nan 0.000 0.483 301 Y N 0.594 121.132 120.300 0.397 0.000 2.536 301 Y HA 0.255 4.804 4.550 -0.000 0.000 0.347 301 Y C 1.153 177.199 175.900 0.243 0.000 1.000 301 Y CA -1.365 56.948 58.100 0.355 0.000 1.051 301 Y CB 1.983 40.752 38.460 0.516 0.000 1.259 301 Y HN 0.530 nan 8.280 nan 0.000 0.468 302 K N 0.554 121.166 120.400 0.354 0.000 2.127 302 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 302 K C -0.257 176.413 176.600 0.117 0.000 1.047 302 K CA 1.825 58.217 56.287 0.175 0.000 0.927 302 K CB 0.191 32.765 32.500 0.124 0.000 0.716 302 K HN 0.690 nan 8.250 nan 0.000 0.450 303 E N -1.491 118.794 120.200 0.143 0.000 2.392 303 E HA 0.171 4.521 4.350 -0.000 0.000 0.279 303 E C -2.728 173.749 176.600 -0.205 0.000 0.964 303 E CA -2.050 54.342 56.400 -0.014 0.000 0.777 303 E CB 2.274 31.961 29.700 -0.023 0.000 1.249 303 E HN -0.113 nan 8.360 nan 0.000 0.449 304 P HA 0.020 nan 4.420 nan 0.000 0.231 304 P C 0.540 176.939 177.300 -1.502 0.000 1.756 304 P CA 0.118 62.353 63.100 -1.440 0.000 0.990 304 P CB -1.010 30.156 31.700 -0.890 0.000 1.973 305 F N 0.036 119.410 119.950 -0.960 0.000 2.202 305 F HA -0.155 4.371 4.527 -0.001 0.000 0.301 305 F C 1.869 177.490 175.800 -0.298 0.000 1.082 305 F CA 0.124 57.857 58.000 -0.444 0.000 1.313 305 F CB -1.932 36.940 39.000 -0.214 0.000 1.024 305 F HN 0.119 nan 8.300 nan 0.000 0.495 306 W N 1.477 122.448 121.300 -0.548 0.000 2.325 306 W HA -0.073 4.587 4.660 -0.001 0.000 0.299 306 W C 2.123 178.574 176.519 -0.113 0.000 1.215 306 W CA 1.209 58.406 57.345 -0.246 0.000 1.244 306 W CB -1.179 28.096 29.460 -0.308 0.000 1.140 306 W HN -0.123 nan 8.180 nan 0.000 0.523 307 R N 1.101 121.387 120.500 -0.356 0.000 2.120 307 R HA -0.087 4.252 4.340 -0.000 0.000 0.234 307 R C 2.051 178.270 176.300 -0.134 0.000 1.123 307 R CA 1.659 57.654 56.100 -0.174 0.000 0.975 307 R CB -0.567 29.582 30.300 -0.251 0.000 0.866 307 R HN 0.279 nan 8.270 nan 0.000 0.446 308 K N 0.907 121.216 120.400 -0.152 0.000 2.209 308 K HA -0.098 4.222 4.320 -0.000 0.000 0.204 308 K C 1.400 177.932 176.600 -0.114 0.000 1.048 308 K CA 1.099 57.322 56.287 -0.106 0.000 0.940 308 K CB 0.125 32.578 32.500 -0.079 0.000 0.729 308 K HN 0.052 nan 8.250 nan 0.000 0.451 309 K N 0.573 120.880 120.400 -0.155 0.000 2.437 309 K HA -0.038 4.281 4.320 -0.000 0.000 0.198 309 K C -0.467 175.854 176.600 -0.465 0.000 1.024 309 K CA 0.154 56.254 56.287 -0.312 0.000 1.148 309 K CB 0.346 32.603 32.500 -0.404 0.000 0.860 309 K HN 0.049 nan 8.250 nan 0.000 0.515 310 D N 0.189 120.452 120.400 -0.228 0.000 2.772 310 D HA -0.232 4.407 4.640 -0.000 0.000 0.233 310 D C -1.336 174.970 176.300 0.009 0.000 1.143 310 D CA 0.956 54.889 54.000 -0.111 0.000 0.700 310 D CB -1.306 39.446 40.800 -0.081 0.000 1.076 310 D HN 0.358 nan 8.370 nan 0.000 0.430 311 Y N -0.812 119.524 120.300 0.060 0.000 2.352 311 Y HA 0.309 4.859 4.550 -0.000 0.000 0.339 311 Y C 1.965 177.933 175.900 0.114 0.000 0.992 311 Y CA -0.979 57.157 58.100 0.060 0.000 1.100 311 Y CB 1.303 39.811 38.460 0.079 0.000 1.192 311 Y HN 0.276 nan 8.280 nan 0.000 0.458 312 C N -0.715 118.702 119.300 0.195 0.000 2.514 312 C HA 0.466 4.925 4.460 -0.000 0.000 0.271 312 C C 1.656 176.716 174.990 0.117 0.000 1.399 312 C CA 0.714 59.824 59.018 0.153 0.000 1.765 312 C CB -0.892 26.866 27.740 0.030 0.000 1.893 312 C HN 1.199 nan 8.230 nan 0.000 0.531 313 G N -0.328 108.393 108.800 -0.133 0.000 2.336 313 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.194 313 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.194 313 G C 0.061 174.659 174.900 -0.504 0.000 0.999 313 G CA 0.177 44.924 45.100 -0.589 0.000 0.669 313 G HN 0.541 nan 8.290 nan 0.000 0.482 314 T N 2.522 116.867 114.554 -0.349 0.000 2.814 314 T HA 0.635 4.985 4.350 -0.000 0.000 0.297 314 T C 0.242 174.754 174.700 -0.313 0.000 0.956 314 T CA 0.599 62.474 62.100 -0.376 0.000 1.123 314 T CB 0.813 69.504 68.868 -0.296 0.000 0.902 314 T HN 0.289 nan 8.240 nan 0.000 0.528 315 M N 4.027 123.433 119.600 -0.322 0.000 2.263 315 M HA 0.487 4.967 4.480 -0.000 0.000 0.295 315 M C -0.985 175.316 176.300 0.003 0.000 1.028 315 M CA -0.580 54.644 55.300 -0.127 0.000 0.921 315 M CB 2.199 34.713 32.600 -0.144 0.000 1.601 315 M HN 0.394 nan 8.290 nan 0.000 0.440 316 I N 4.536 125.251 120.570 0.242 0.000 2.328 316 I HA 0.430 4.599 4.170 -0.000 0.000 0.287 316 I C -0.831 175.534 176.117 0.414 0.000 1.012 316 I CA -0.308 61.237 61.300 0.409 0.000 1.195 316 I CB 0.991 39.290 38.000 0.497 0.000 1.350 316 I HN 0.608 nan 8.210 nan 0.000 0.464 317 I N 5.610 126.382 120.570 0.336 0.000 2.390 317 I HA 0.247 4.417 4.170 -0.000 0.000 0.283 317 I C -0.079 176.192 176.117 0.257 0.000 1.016 317 I CA -0.505 60.965 61.300 0.284 0.000 1.151 317 I CB 0.770 38.895 38.000 0.209 0.000 1.293 317 I HN 0.461 nan 8.210 nan 0.000 0.458 318 D N 4.948 125.488 120.400 0.233 0.000 2.362 318 D HA 0.463 5.103 4.640 -0.000 0.000 0.242 318 D C 0.462 176.850 176.300 0.148 0.000 1.132 318 D CA 0.936 55.045 54.000 0.182 0.000 0.907 318 D CB 1.632 42.514 40.800 0.135 0.000 1.195 318 D HN 0.809 nan 8.370 nan 0.000 0.429 319 G N 1.361 110.235 108.800 0.123 0.000 2.617 319 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.686 319 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.686 319 G C 0.454 175.418 174.900 0.106 0.000 1.214 319 G CA 0.014 45.176 45.100 0.103 0.000 0.796 319 G HN 0.447 nan 8.290 nan 0.000 0.654 320 E N 0.167 120.424 120.200 0.095 0.000 2.112 320 E HA 0.030 4.379 4.350 -0.000 0.000 0.190 320 E C 2.097 178.753 176.600 0.092 0.000 0.979 320 E CA 2.219 58.686 56.400 0.111 0.000 0.814 320 E CB -0.015 29.748 29.700 0.105 0.000 0.762 320 E HN 0.624 nan 8.360 nan 0.000 0.460 321 E N 0.693 120.939 120.200 0.076 0.000 2.208 321 E HA 0.101 4.451 4.350 -0.000 0.000 0.193 321 E C 0.376 177.004 176.600 0.048 0.000 0.988 321 E CA 0.834 57.269 56.400 0.058 0.000 0.828 321 E CB -0.365 29.366 29.700 0.052 0.000 0.763 321 E HN 0.299 nan 8.360 nan 0.000 0.478 322 A N 2.866 125.725 122.820 0.064 0.000 2.491 322 A HA 0.161 4.480 4.320 -0.000 0.000 0.261 322 A C -1.302 176.303 177.584 0.036 0.000 1.101 322 A CA -1.082 50.986 52.037 0.051 0.000 0.772 322 A CB 0.148 19.200 19.000 0.088 0.000 1.043 322 A HN 0.012 nan 8.150 nan 0.000 0.501 323 P HA -0.016 nan 4.420 nan 0.000 0.223 323 P C 0.082 177.404 177.300 0.038 0.000 1.151 323 P CA 0.925 64.025 63.100 0.000 0.000 0.787 323 P CB 0.163 31.846 31.700 -0.029 0.000 0.788 324 V N -0.220 119.734 119.914 0.066 0.000 2.638 324 V HA 0.486 4.606 4.120 -0.000 0.000 0.306 324 V C 0.894 177.098 176.094 0.182 0.000 1.052 324 V CA -0.219 62.166 62.300 0.142 0.000 0.885 324 V CB 1.747 33.666 31.823 0.161 0.000 0.999 324 V HN -0.080 nan 8.190 nan 0.000 0.424 325 A N 4.177 127.141 122.820 0.240 0.000 2.115 325 A HA 0.338 4.657 4.320 -0.000 0.000 0.211 325 A C 0.105 177.912 177.584 0.371 0.000 1.169 325 A CA 0.614 52.814 52.037 0.272 0.000 0.787 325 A CB 0.240 19.392 19.000 0.254 0.000 0.858 325 A HN 0.762 nan 8.150 nan 0.000 0.474 326 Y N 0.400 120.827 120.300 0.212 0.000 2.396 326 Y HA 0.483 5.033 4.550 -0.001 0.000 0.332 326 Y C -0.395 175.568 175.900 0.104 0.000 1.034 326 Y CA -0.532 57.680 58.100 0.187 0.000 1.057 326 Y CB 1.690 40.311 38.460 0.268 0.000 1.220 326 Y HN 0.116 nan 8.280 nan 0.000 0.440 327 T N 4.398 118.683 114.554 -0.447 0.000 2.907 327 T HA 0.846 5.196 4.350 -0.000 0.000 0.292 327 T C -1.316 172.980 174.700 -0.672 0.000 1.043 327 T CA -0.806 61.013 62.100 -0.468 0.000 1.003 327 T CB 1.752 70.363 68.868 -0.428 0.000 1.084 327 T HN 0.588 nan 8.240 nan 0.000 0.483 328 L N 1.151 122.092 121.223 -0.470 0.000 2.350 328 L HA 0.530 4.870 4.340 -0.000 0.000 0.260 328 L C -0.590 176.099 176.870 -0.301 0.000 1.015 328 L CA -1.271 53.347 54.840 -0.369 0.000 0.821 328 L CB 2.171 44.084 42.059 -0.243 0.000 1.370 328 L HN 0.728 nan 8.230 nan 0.000 0.416 329 D N 0.627 120.890 120.400 -0.229 0.000 2.371 329 D HA 0.008 4.647 4.640 -0.000 0.000 0.256 329 D C -0.264 176.057 176.300 0.036 0.000 1.193 329 D CA 0.428 54.355 54.000 -0.123 0.000 0.881 329 D CB 1.203 42.030 40.800 0.045 0.000 1.143 329 D HN 0.444 nan 8.370 nan 0.000 0.473 330 D N 1.904 122.328 120.400 0.040 0.000 2.440 330 D HA 0.071 4.711 4.640 -0.000 0.000 0.216 330 D C -0.367 176.020 176.300 0.144 0.000 1.150 330 D CA -0.097 53.956 54.000 0.089 0.000 0.832 330 D CB 0.332 41.124 40.800 -0.013 0.000 0.992 330 D HN 0.267 nan 8.370 nan 0.000 0.502 331 T N 1.868 116.543 114.554 0.202 0.000 2.908 331 T HA -0.004 4.346 4.350 -0.000 0.000 0.301 331 T C 0.611 175.378 174.700 0.111 0.000 1.019 331 T CA -0.008 62.206 62.100 0.189 0.000 1.152 331 T CB 0.748 69.735 68.868 0.198 0.000 0.966 331 T HN -0.028 nan 8.240 nan 0.000 0.540 332 K N 4.500 124.927 120.400 0.045 0.000 2.397 332 K HA 0.036 4.355 4.320 -0.000 0.000 0.265 332 K C -1.413 175.073 176.600 -0.190 0.000 0.982 332 K CA -1.465 54.750 56.287 -0.121 0.000 0.931 332 K CB 0.055 32.500 32.500 -0.092 0.000 0.943 332 K HN 0.354 nan 8.250 nan 0.000 0.501 333 P HA -0.129 nan 4.420 nan 0.000 0.225 333 P C 0.362 177.588 177.300 -0.123 0.000 1.148 333 P CA 1.286 64.179 63.100 -0.346 0.000 0.779 333 P CB 0.333 31.722 31.700 -0.518 0.000 0.780 334 E N -0.489 119.663 120.200 -0.079 0.000 2.072 334 E HA 0.093 4.443 4.350 -0.000 0.000 0.190 334 E C 1.791 178.382 176.600 -0.015 0.000 0.982 334 E CA 1.627 58.012 56.400 -0.025 0.000 0.803 334 E CB -0.687 29.018 29.700 0.008 0.000 0.755 334 E HN 0.335 nan 8.360 nan 0.000 0.453 335 G N -0.714 108.082 108.800 -0.006 0.000 2.367 335 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.181 335 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.181 335 G C 0.124 175.027 174.900 0.004 0.000 1.000 335 G CA -0.349 44.743 45.100 -0.013 0.000 0.693 335 G HN 0.071 nan 8.290 nan 0.000 0.480 336 N N 0.194 118.920 118.700 0.043 0.000 2.415 336 N HA 0.365 5.104 4.740 -0.000 0.000 0.248 336 N C 0.449 176.079 175.510 0.201 0.000 1.271 336 N CA 0.147 53.241 53.050 0.074 0.000 0.913 336 N CB -0.208 38.443 38.487 0.272 0.000 1.129 336 N HN 0.326 nan 8.380 nan 0.000 0.444 337 Y N -2.229 118.097 120.300 0.043 0.000 2.980 337 Y HA -0.262 4.287 4.550 -0.000 0.000 0.199 337 Y C 0.738 176.766 175.900 0.214 0.000 1.319 337 Y CA 0.252 58.424 58.100 0.120 0.000 0.877 337 Y CB -1.970 36.526 38.460 0.061 0.000 1.259 337 Y HN 0.474 nan 8.280 nan 0.000 0.437 338 A N 0.661 123.655 122.820 0.290 0.000 2.445 338 A HA 0.790 5.110 4.320 -0.000 0.000 0.242 338 A C 0.603 178.430 177.584 0.404 0.000 1.075 338 A CA 0.382 52.600 52.037 0.302 0.000 0.777 338 A CB 0.584 19.685 19.000 0.168 0.000 1.013 338 A HN 1.511 nan 8.150 nan 0.000 0.493 339 A N 1.246 124.301 122.820 0.392 0.000 2.608 339 A HA 0.618 4.938 4.320 -0.000 0.000 0.292 339 A C -1.218 176.334 177.584 -0.053 0.000 1.066 339 A CA -0.486 51.573 52.037 0.037 0.000 0.676 339 A CB 0.899 19.634 19.000 -0.441 0.000 1.277 339 A HN 0.700 nan 8.150 nan 0.000 0.413 340 I N 2.127 122.541 120.570 -0.261 0.000 2.436 340 I HA 0.390 4.559 4.170 -0.000 0.000 0.289 340 I C -0.308 175.618 176.117 -0.317 0.000 1.010 340 I CA -0.370 60.660 61.300 -0.450 0.000 1.098 340 I CB 1.717 39.275 38.000 -0.738 0.000 1.266 340 I HN 0.749 nan 8.210 nan 0.000 0.434 341 M N 5.140 124.569 119.600 -0.285 0.000 2.264 341 M HA 0.644 5.124 4.480 -0.000 0.000 0.352 341 M C -0.307 175.845 176.300 -0.248 0.000 1.173 341 M CA -0.118 55.052 55.300 -0.218 0.000 1.075 341 M CB 1.356 33.862 32.600 -0.156 0.000 1.621 341 M HN 0.753 nan 8.290 nan 0.000 0.457 342 G N 4.110 112.802 108.800 -0.180 0.000 2.718 342 G HA2 0.653 4.613 3.960 -0.000 0.000 0.295 342 G HA3 0.653 4.613 3.960 -0.000 0.000 0.295 342 G C -2.062 172.785 174.900 -0.088 0.000 1.421 342 G CA -0.573 44.460 45.100 -0.112 0.000 0.902 342 G HN 0.634 nan 8.290 nan 0.000 0.501 343 F N 0.415 120.507 119.950 0.237 0.000 2.443 343 F HA 0.528 5.055 4.527 -0.001 0.000 0.335 343 F C 0.572 176.475 175.800 0.171 0.000 1.104 343 F CA -0.775 57.361 58.000 0.227 0.000 1.013 343 F CB 2.222 41.383 39.000 0.269 0.000 1.136 343 F HN 0.044 nan 8.300 nan 0.000 0.470 344 I N 5.250 126.024 120.570 0.341 0.000 2.307 344 I HA 0.259 4.429 4.170 -0.000 0.000 0.289 344 I C -0.687 175.510 176.117 0.133 0.000 1.021 344 I CA -0.306 61.108 61.300 0.190 0.000 1.224 344 I CB 0.738 38.819 38.000 0.135 0.000 1.376 344 I HN 0.371 nan 8.210 nan 0.000 0.470 345 L N 6.205 127.473 121.223 0.074 0.000 2.334 345 L HA 0.704 5.044 4.340 -0.000 0.000 0.275 345 L C 1.066 177.896 176.870 -0.066 0.000 1.036 345 L CA -0.186 54.653 54.840 -0.003 0.000 0.807 345 L CB 1.428 43.490 42.059 0.005 0.000 1.231 345 L HN 0.855 nan 8.230 nan 0.000 0.438 346 A N 1.861 124.632 122.820 -0.083 0.000 5.395 346 A HA -0.376 3.943 4.320 -0.000 0.000 0.324 346 A C 1.764 179.329 177.584 -0.031 0.000 1.813 346 A CA 1.636 53.631 52.037 -0.069 0.000 0.714 346 A CB -1.642 17.317 19.000 -0.068 0.000 1.374 346 A HN 1.122 nan 8.150 nan 0.000 0.390 347 H N 0.792 119.841 119.070 -0.035 0.000 2.466 347 H HA -0.128 4.427 4.556 -0.001 0.000 0.297 347 H C 1.714 177.051 175.328 0.015 0.000 1.113 347 H CA 2.089 58.135 56.048 -0.003 0.000 1.273 347 H CB -0.340 29.430 29.762 0.013 0.000 1.371 347 H HN 0.720 nan 8.280 nan 0.000 0.528 348 K N 0.569 120.646 120.400 -0.540 0.000 2.167 348 K HA 0.115 4.435 4.320 -0.000 0.000 0.203 348 K C 2.596 179.122 176.600 -0.123 0.000 1.052 348 K CA 0.759 56.819 56.287 -0.378 0.000 0.956 348 K CB 0.038 32.322 32.500 -0.361 0.000 0.735 348 K HN 0.331 nan 8.250 nan 0.000 0.451 349 A N 1.540 124.318 122.820 -0.069 0.000 2.024 349 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 349 A C 1.937 179.529 177.584 0.013 0.000 1.164 349 A CA 1.351 53.390 52.037 0.002 0.000 0.643 349 A CB -0.295 18.720 19.000 0.025 0.000 0.806 349 A HN 0.220 nan 8.150 nan 0.000 0.451 350 R N -0.782 119.723 120.500 0.009 0.000 2.127 350 R HA 0.045 4.385 4.340 -0.000 0.000 0.217 350 R C 2.270 178.586 176.300 0.027 0.000 1.074 350 R CA 1.149 57.266 56.100 0.028 0.000 0.991 350 R CB -0.166 30.161 30.300 0.045 0.000 0.895 350 R HN 0.497 nan 8.270 nan 0.000 0.450 351 K N 1.154 121.565 120.400 0.018 0.000 2.062 351 K HA -0.027 4.293 4.320 -0.000 0.000 0.205 351 K C 1.563 178.172 176.600 0.016 0.000 1.051 351 K CA 1.073 57.375 56.287 0.025 0.000 0.941 351 K CB 0.186 32.702 32.500 0.026 0.000 0.719 351 K HN 0.162 nan 8.250 nan 0.000 0.440 352 L N 0.233 121.460 121.223 0.007 0.000 2.592 352 L HA 0.141 4.481 4.340 -0.000 0.000 0.227 352 L C 2.123 179.007 176.870 0.024 0.000 1.127 352 L CA 0.154 55.002 54.840 0.012 0.000 0.884 352 L CB 0.001 42.065 42.059 0.008 0.000 1.065 352 L HN 0.132 nan 8.230 nan 0.000 0.457 353 A N 0.342 123.178 122.820 0.026 0.000 2.066 353 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 353 A C 2.347 179.946 177.584 0.024 0.000 1.157 353 A CA 0.748 52.803 52.037 0.030 0.000 0.670 353 A CB -0.282 18.736 19.000 0.030 0.000 0.804 353 A HN 0.298 nan 8.150 nan 0.000 0.453 354 R N -0.466 120.046 120.500 0.021 0.000 2.120 354 R HA -0.002 4.338 4.340 -0.000 0.000 0.234 354 R C 0.342 176.652 176.300 0.016 0.000 1.123 354 R CA 0.470 56.581 56.100 0.017 0.000 0.975 354 R CB -0.552 29.758 30.300 0.017 0.000 0.866 354 R HN 0.451 nan 8.270 nan 0.000 0.446 355 L N 0.614 121.847 121.223 0.016 0.000 2.475 355 L HA 0.064 4.403 4.340 -0.000 0.000 0.250 355 L C 1.020 177.901 176.870 0.019 0.000 1.224 355 L CA -0.281 54.567 54.840 0.013 0.000 0.821 355 L CB 0.271 42.334 42.059 0.008 0.000 1.141 355 L HN 0.151 nan 8.230 nan 0.000 0.494 356 T N -3.063 111.501 114.554 0.016 0.000 2.874 356 T HA 0.155 4.505 4.350 -0.000 0.000 0.281 356 T C 0.876 175.598 174.700 0.037 0.000 0.994 356 T CA -0.803 61.312 62.100 0.025 0.000 1.015 356 T CB 1.463 70.342 68.868 0.018 0.000 1.028 356 T HN 0.615 nan 8.240 nan 0.000 0.523 357 K N 0.393 120.830 120.400 0.062 0.000 2.052 357 K HA -0.277 4.042 4.320 -0.000 0.000 0.215 357 K C 1.937 178.567 176.600 0.051 0.000 1.053 357 K CA 2.293 58.650 56.287 0.116 0.000 0.934 357 K CB -0.227 32.353 32.500 0.134 0.000 0.717 357 K HN 0.699 nan 8.250 nan 0.000 0.450 358 E N 0.396 120.601 120.200 0.009 0.000 2.106 358 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 358 E C 1.807 178.357 176.600 -0.084 0.000 0.984 358 E CA 1.338 57.709 56.400 -0.049 0.000 0.806 358 E CB 0.041 29.730 29.700 -0.019 0.000 0.750 358 E HN 0.397 nan 8.360 nan 0.000 0.458 359 E N 0.154 120.326 120.200 -0.048 0.000 2.150 359 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 359 E C 2.072 178.626 176.600 -0.076 0.000 0.985 359 E CA 0.604 56.973 56.400 -0.051 0.000 0.814 359 E CB 0.017 29.703 29.700 -0.024 0.000 0.752 359 E HN 0.115 nan 8.360 nan 0.000 0.466 360 R N 0.473 120.928 120.500 -0.075 0.000 2.066 360 R HA -0.051 4.288 4.340 -0.000 0.000 0.232 360 R C 2.520 178.682 176.300 -0.230 0.000 1.131 360 R CA 0.693 56.740 56.100 -0.089 0.000 0.955 360 R CB -0.370 29.938 30.300 0.014 0.000 0.851 360 R HN 0.201 nan 8.270 nan 0.000 0.432 361 L N 1.371 122.336 121.223 -0.429 0.000 2.021 361 L HA -0.306 4.034 4.340 -0.000 0.000 0.215 361 L C 2.494 179.163 176.870 -0.335 0.000 1.074 361 L CA 1.765 56.207 54.840 -0.663 0.000 0.760 361 L CB -0.280 41.355 42.059 -0.708 0.000 0.889 361 L HN 0.188 nan 8.230 nan 0.000 0.433 362 K N -0.325 119.946 120.400 -0.214 0.000 2.057 362 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 362 K C 2.137 178.658 176.600 -0.132 0.000 1.049 362 K CA 1.380 57.588 56.287 -0.133 0.000 0.931 362 K CB 0.066 32.514 32.500 -0.088 0.000 0.714 362 K HN 0.252 nan 8.250 nan 0.000 0.440 363 K N 0.409 120.724 120.400 -0.142 0.000 2.155 363 K HA -0.060 4.260 4.320 -0.000 0.000 0.203 363 K C 2.097 178.566 176.600 -0.218 0.000 1.052 363 K CA 0.758 56.964 56.287 -0.135 0.000 0.948 363 K CB 0.036 32.476 32.500 -0.101 0.000 0.728 363 K HN 0.234 nan 8.250 nan 0.000 0.448 364 L N 0.282 121.328 121.223 -0.295 0.000 2.044 364 L HA -0.189 4.150 4.340 -0.000 0.000 0.205 364 L C 2.643 179.113 176.870 -0.666 0.000 1.075 364 L CA 0.973 55.482 54.840 -0.552 0.000 0.747 364 L CB -0.630 41.161 42.059 -0.446 0.000 0.903 364 L HN 0.255 nan 8.230 nan 0.000 0.435 365 C N 0.307 119.438 119.300 -0.281 0.000 2.413 365 C HA -0.168 4.292 4.460 -0.000 0.000 0.276 365 C C 2.644 177.623 174.990 -0.019 0.000 1.236 365 C CA 0.754 59.754 59.018 -0.030 0.000 1.735 365 C CB -0.745 27.020 27.740 0.042 0.000 2.031 365 C HN 0.511 nan 8.230 nan 0.000 0.474 366 E N 0.213 120.371 120.200 -0.069 0.000 2.118 366 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 366 E C 1.957 178.526 176.600 -0.052 0.000 0.992 366 E CA 1.131 57.506 56.400 -0.042 0.000 0.804 366 E CB -0.268 29.403 29.700 -0.048 0.000 0.741 366 E HN 0.541 nan 8.360 nan 0.000 0.458 367 L N 0.116 121.260 121.223 -0.131 0.000 2.005 367 L HA -0.176 4.163 4.340 -0.000 0.000 0.207 367 L C 2.009 178.871 176.870 -0.013 0.000 1.072 367 L CA 1.692 56.458 54.840 -0.125 0.000 0.744 367 L CB -0.601 41.333 42.059 -0.208 0.000 0.895 367 L HN 0.188 nan 8.230 nan 0.000 0.433 368 Y N -0.532 119.755 120.300 -0.021 0.000 2.165 368 Y HA -0.283 4.267 4.550 -0.001 0.000 0.286 368 Y C 2.556 178.473 175.900 0.027 0.000 1.155 368 Y CA 0.432 58.527 58.100 -0.008 0.000 1.164 368 Y CB -0.527 37.972 38.460 0.065 0.000 0.978 368 Y HN 0.403 nan 8.280 nan 0.000 0.513 369 A N 0.579 123.520 122.820 0.202 0.000 1.883 369 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 369 A C 2.145 179.774 177.584 0.076 0.000 1.186 369 A CA 2.115 54.227 52.037 0.124 0.000 0.624 369 A CB -0.675 18.368 19.000 0.072 0.000 0.822 369 A HN 0.426 nan 8.150 nan 0.000 0.444 370 K N -0.584 119.833 120.400 0.028 0.000 2.057 370 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 370 K C 1.718 178.289 176.600 -0.047 0.000 1.049 370 K CA 1.576 57.861 56.287 -0.004 0.000 0.931 370 K CB -0.182 32.301 32.500 -0.029 0.000 0.714 370 K HN 0.235 nan 8.250 nan 0.000 0.440 371 V N 1.128 120.965 119.914 -0.129 0.000 2.488 371 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 371 V C 2.013 178.068 176.094 -0.065 0.000 1.046 371 V CA 1.219 63.379 62.300 -0.233 0.000 1.053 371 V CB -0.149 31.491 31.823 -0.305 0.000 0.679 371 V HN 0.299 nan 8.190 nan 0.000 0.458 372 L N 0.415 121.658 121.223 0.034 0.000 2.492 372 L HA 0.270 4.609 4.340 -0.000 0.000 0.223 372 L C 1.584 178.620 176.870 0.276 0.000 1.132 372 L CA 0.764 55.703 54.840 0.165 0.000 0.850 372 L CB -0.643 41.582 42.059 0.278 0.000 0.966 372 L HN 0.523 nan 8.230 nan 0.000 0.454 373 G N 1.335 110.235 108.800 0.166 0.000 2.372 373 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.297 373 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.297 373 G C -0.133 174.849 174.900 0.137 0.000 1.005 373 G CA 0.548 45.733 45.100 0.142 0.000 1.173 373 G HN 0.419 nan 8.290 nan 0.000 0.511 374 S N -0.239 115.530 115.700 0.115 0.000 2.689 374 S HA 0.485 4.954 4.470 -0.000 0.000 0.274 374 S C 0.908 175.467 174.600 -0.068 0.000 1.176 374 S CA -0.650 57.566 58.200 0.027 0.000 1.014 374 S CB 1.910 65.142 63.200 0.053 0.000 1.071 374 S HN 0.235 nan 8.310 nan 0.000 0.478 375 L N 1.579 122.751 121.223 -0.085 0.000 2.197 375 L HA -0.219 4.121 4.340 -0.000 0.000 0.215 375 L C 2.361 179.113 176.870 -0.196 0.000 1.095 375 L CA 1.694 56.475 54.840 -0.099 0.000 0.764 375 L CB -0.333 41.678 42.059 -0.080 0.000 0.897 375 L HN 0.812 nan 8.230 nan 0.000 0.436 376 E N -0.470 119.486 120.200 -0.406 0.000 2.209 376 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 376 E C 2.104 178.319 176.600 -0.642 0.000 0.993 376 E CA 1.152 57.155 56.400 -0.661 0.000 0.819 376 E CB -0.104 28.861 29.700 -1.224 0.000 0.745 376 E HN 0.542 nan 8.360 nan 0.000 0.477 377 A N 0.398 122.914 122.820 -0.506 0.000 2.121 377 A HA -0.096 4.223 4.320 -0.000 0.000 0.218 377 A C 1.835 179.552 177.584 0.222 0.000 1.154 377 A CA 0.709 52.716 52.037 -0.050 0.000 0.679 377 A CB -0.321 18.825 19.000 0.243 0.000 0.795 377 A HN 0.189 nan 8.150 nan 0.000 0.458 378 L N -1.126 120.144 121.223 0.078 0.000 2.599 378 L HA 0.077 4.417 4.340 -0.000 0.000 0.230 378 L C 0.488 177.436 176.870 0.129 0.000 1.141 378 L CA 0.414 55.313 54.840 0.099 0.000 0.877 378 L CB -0.113 41.965 42.059 0.031 0.000 1.009 378 L HN 0.309 nan 8.230 nan 0.000 0.447 379 E N 1.085 121.401 120.200 0.194 0.000 3.170 379 E HA 0.192 4.541 4.350 -0.000 0.000 0.212 379 E C -2.260 174.541 176.600 0.336 0.000 1.143 379 E CA -1.760 54.756 56.400 0.193 0.000 1.139 379 E CB 0.828 30.588 29.700 0.101 0.000 1.346 379 E HN 0.063 nan 8.360 nan 0.000 0.432 380 P HA 0.004 nan 4.420 nan 0.000 0.278 380 P C 0.373 177.754 177.300 0.135 0.000 1.238 380 P CA -0.181 62.981 63.100 0.104 0.000 0.794 380 P CB 2.098 33.783 31.700 -0.025 0.000 0.955 381 V N 1.332 121.339 119.914 0.155 0.000 3.307 381 V HA 0.118 4.238 4.120 -0.000 0.000 0.253 381 V C 0.713 176.957 176.094 0.250 0.000 1.149 381 V CA 1.017 63.427 62.300 0.183 0.000 1.112 381 V CB -0.581 31.354 31.823 0.186 0.000 0.777 381 V HN 0.688 nan 8.190 nan 0.000 0.464 382 H N -1.731 117.433 119.070 0.156 0.000 2.987 382 H HA 0.311 4.866 4.556 -0.001 0.000 0.316 382 H C -2.332 173.232 175.328 0.393 0.000 1.380 382 H CA -0.483 55.680 56.048 0.192 0.000 1.160 382 H CB 1.872 31.661 29.762 0.044 0.000 1.865 382 H HN 0.015 nan 8.280 nan 0.000 0.521 383 Y N 1.836 121.805 120.300 -0.552 0.000 2.441 383 Y HA 0.333 4.883 4.550 -0.000 0.000 0.334 383 Y C -1.555 174.148 175.900 -0.329 0.000 1.061 383 Y CA -0.551 57.399 58.100 -0.251 0.000 1.032 383 Y CB 1.601 39.980 38.460 -0.135 0.000 1.266 383 Y HN 0.528 nan 8.280 nan 0.000 0.441 384 E N 4.461 124.309 120.200 -0.586 0.000 2.266 384 E HA 0.379 4.728 4.350 -0.000 0.000 0.268 384 E C -1.465 174.723 176.600 -0.686 0.000 0.879 384 E CA -0.775 55.322 56.400 -0.504 0.000 0.762 384 E CB 2.531 32.167 29.700 -0.106 0.000 1.199 384 E HN 0.773 nan 8.360 nan 0.000 0.422 385 E N 0.604 120.532 120.200 -0.453 0.000 2.343 385 E HA 0.631 4.980 4.350 -0.000 0.000 0.278 385 E C -1.247 175.302 176.600 -0.085 0.000 0.910 385 E CA -1.025 55.224 56.400 -0.252 0.000 0.757 385 E CB 2.276 31.835 29.700 -0.234 0.000 1.218 385 E HN 0.096 nan 8.360 nan 0.000 0.435 386 K N 1.718 122.121 120.400 0.005 0.000 2.426 386 K HA 0.346 4.665 4.320 -0.000 0.000 0.254 386 K C -1.462 175.115 176.600 -0.038 0.000 0.936 386 K CA -0.699 55.540 56.287 -0.079 0.000 0.801 386 K CB 1.518 33.907 32.500 -0.183 0.000 1.139 386 K HN 0.502 nan 8.250 nan 0.000 0.424 387 N N 4.343 122.978 118.700 -0.107 0.000 2.678 387 N HA 0.134 4.874 4.740 -0.000 0.000 0.231 387 N C -0.336 175.141 175.510 -0.055 0.000 1.038 387 N CA -0.482 52.568 53.050 -0.000 0.000 0.932 387 N CB 0.179 38.675 38.487 0.015 0.000 1.176 387 N HN 0.663 nan 8.380 nan 0.000 0.511 388 W N 1.962 123.313 121.300 0.085 0.000 2.421 388 W HA -0.055 4.605 4.660 -0.001 0.000 0.270 388 W C 2.033 178.579 176.519 0.045 0.000 1.233 388 W CA 0.089 57.480 57.345 0.076 0.000 1.226 388 W CB -0.387 29.131 29.460 0.096 0.000 1.121 388 W HN 0.554 nan 8.180 nan 0.000 0.579 389 C N 0.626 120.044 119.300 0.197 0.000 2.401 389 C HA -0.211 4.249 4.460 -0.000 0.000 0.286 389 C C 2.254 177.280 174.990 0.061 0.000 1.332 389 C CA 1.715 60.799 59.018 0.111 0.000 1.795 389 C CB -1.539 26.247 27.740 0.077 0.000 1.922 389 C HN 0.507 nan 8.230 nan 0.000 0.520 390 E N 0.178 120.395 120.200 0.028 0.000 2.481 390 E HA 0.066 4.416 4.350 -0.000 0.000 0.198 390 E C -0.158 176.430 176.600 -0.021 0.000 1.027 390 E CA 0.037 56.431 56.400 -0.009 0.000 0.900 390 E CB -0.119 29.564 29.700 -0.028 0.000 0.993 390 E HN 0.475 nan 8.360 nan 0.000 0.482 391 E N 2.234 122.441 120.200 0.012 0.000 2.180 391 E HA -0.012 4.338 4.350 -0.000 0.000 0.283 391 E C 0.465 177.073 176.600 0.014 0.000 1.061 391 E CA 0.053 56.469 56.400 0.025 0.000 0.861 391 E CB 1.625 31.399 29.700 0.123 0.000 1.056 391 E HN 0.353 nan 8.360 nan 0.000 0.407 392 Q N 3.155 122.910 119.800 -0.076 0.000 2.079 392 Q HA -0.158 4.181 4.340 -0.000 0.000 0.200 392 Q C 0.305 176.115 176.000 -0.317 0.000 0.974 392 Q CA 1.387 57.040 55.803 -0.250 0.000 0.840 392 Q CB 0.088 28.567 28.738 -0.430 0.000 0.898 392 Q HN 0.582 nan 8.270 nan 0.000 0.430 393 Y N -0.338 119.993 120.300 0.051 0.000 2.596 393 Y HA 0.215 4.765 4.550 -0.001 0.000 0.316 393 Y C 1.195 177.155 175.900 0.101 0.000 1.156 393 Y CA -0.271 57.867 58.100 0.063 0.000 1.300 393 Y CB 0.608 39.096 38.460 0.047 0.000 1.130 393 Y HN 0.060 nan 8.280 nan 0.000 0.518 394 S N -1.850 113.963 115.700 0.188 0.000 3.265 394 S HA 0.300 4.769 4.470 -0.000 0.000 0.259 394 S C 1.769 176.451 174.600 0.137 0.000 1.089 394 S CA 0.491 58.815 58.200 0.208 0.000 0.811 394 S CB 0.431 63.838 63.200 0.344 0.000 0.858 394 S HN 0.537 nan 8.310 nan 0.000 0.452 395 G N 0.988 109.852 108.800 0.106 0.000 2.253 395 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.251 395 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.251 395 G C 0.531 175.479 174.900 0.079 0.000 0.998 395 G CA 0.302 45.436 45.100 0.057 0.000 0.621 395 G HN 1.382 nan 8.290 nan 0.000 0.524 396 G N -2.362 106.521 108.800 0.138 0.000 2.344 396 G HA2 0.554 4.514 3.960 -0.000 0.000 0.282 396 G HA3 0.554 4.514 3.960 -0.000 0.000 0.282 396 G C -1.167 173.814 174.900 0.136 0.000 1.281 396 G CA 0.409 45.596 45.100 0.144 0.000 0.877 396 G HN 1.413 nan 8.290 nan 0.000 0.494 397 C N -1.751 117.572 119.300 0.039 0.000 3.312 397 C HA 0.569 5.029 4.460 -0.000 0.000 0.332 397 C C 0.739 175.577 174.990 -0.254 0.000 1.340 397 C CA -0.646 58.320 59.018 -0.087 0.000 1.265 397 C CB 0.646 28.234 27.740 -0.253 0.000 1.563 397 C HN 0.738 nan 8.230 nan 0.000 0.471 398 Y N 0.550 120.778 120.300 -0.120 0.000 2.286 398 Y HA 0.200 4.750 4.550 -0.001 0.000 0.293 398 Y C 1.619 177.482 175.900 -0.062 0.000 1.124 398 Y CA 1.362 59.364 58.100 -0.163 0.000 1.178 398 Y CB -0.515 37.824 38.460 -0.203 0.000 1.010 398 Y HN 0.694 nan 8.280 nan 0.000 0.536 399 T N -1.891 112.745 114.554 0.137 0.000 2.618 399 T HA 0.441 4.790 4.350 -0.000 0.000 0.286 399 T C -0.650 174.156 174.700 0.177 0.000 1.027 399 T CA -0.641 61.582 62.100 0.205 0.000 1.063 399 T CB 1.272 70.350 68.868 0.350 0.000 1.440 399 T HN -0.119 nan 8.240 nan 0.000 0.505 400 T N 1.968 116.659 114.554 0.228 0.000 2.837 400 T HA 0.611 4.961 4.350 -0.000 0.000 0.285 400 T C -1.273 173.486 174.700 0.097 0.000 0.984 400 T CA -0.191 61.961 62.100 0.087 0.000 1.049 400 T CB 0.117 69.018 68.868 0.055 0.000 0.947 400 T HN 0.501 nan 8.240 nan 0.000 0.472 401 Y N 1.035 121.147 120.300 -0.314 0.000 2.509 401 Y HA 0.817 5.367 4.550 -0.000 0.000 0.341 401 Y C -1.604 173.807 175.900 -0.814 0.000 1.038 401 Y CA -2.091 55.491 58.100 -0.863 0.000 1.089 401 Y CB 0.828 38.873 38.460 -0.691 0.000 1.241 401 Y HN 0.398 nan 8.280 nan 0.000 0.468 402 F N 3.739 122.929 119.950 -1.267 0.000 2.411 402 F HA 0.577 5.104 4.527 -0.001 0.000 0.352 402 F C -2.284 173.381 175.800 -0.225 0.000 1.123 402 F CA -2.887 54.721 58.000 -0.654 0.000 1.044 402 F CB 1.454 40.131 39.000 -0.538 0.000 1.135 402 F HN 0.364 nan 8.300 nan 0.000 0.461 403 P HA 0.104 nan 4.420 nan 0.000 0.271 403 P C -2.535 174.841 177.300 0.127 0.000 1.233 403 P CA -1.125 62.025 63.100 0.085 0.000 0.789 403 P CB -0.217 31.478 31.700 -0.009 0.000 0.951 404 P HA -0.045 nan 4.420 nan 0.000 0.265 404 P C 0.935 178.314 177.300 0.132 0.000 1.187 404 P CA 1.223 64.411 63.100 0.147 0.000 0.766 404 P CB -0.049 31.722 31.700 0.118 0.000 0.820 405 G N 2.537 111.430 108.800 0.154 0.000 2.199 405 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.254 405 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.254 405 G C 0.757 175.758 174.900 0.169 0.000 0.982 405 G CA 0.095 45.277 45.100 0.137 0.000 0.632 405 G HN 0.466 nan 8.290 nan 0.000 0.529 406 I N -0.025 120.672 120.570 0.212 0.000 3.035 406 I HA 0.221 4.391 4.170 -0.000 0.000 0.271 406 I C 2.475 178.823 176.117 0.385 0.000 1.190 406 I CA 0.924 62.396 61.300 0.287 0.000 1.472 406 I CB -0.722 37.367 38.000 0.149 0.000 1.116 406 I HN 0.275 nan 8.210 nan 0.000 0.443 407 L N 1.313 122.748 121.223 0.354 0.000 2.072 407 L HA -0.146 4.194 4.340 -0.000 0.000 0.205 407 L C 2.588 179.544 176.870 0.143 0.000 1.079 407 L CA 2.353 57.320 54.840 0.211 0.000 0.752 407 L CB -0.896 41.200 42.059 0.061 0.000 0.906 407 L HN 0.351 nan 8.230 nan 0.000 0.436 408 T N -3.955 110.683 114.554 0.139 0.000 2.867 408 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 408 T C 1.807 176.454 174.700 -0.088 0.000 1.057 408 T CA 0.973 63.117 62.100 0.075 0.000 1.136 408 T CB -0.306 68.616 68.868 0.090 0.000 0.874 408 T HN 0.341 nan 8.240 nan 0.000 0.466 409 Q N 0.057 119.810 119.800 -0.078 0.000 2.123 409 Q HA 0.123 4.463 4.340 -0.000 0.000 0.196 409 Q C 1.212 176.898 176.000 -0.523 0.000 0.958 409 Q CA 1.199 56.827 55.803 -0.292 0.000 0.841 409 Q CB -0.073 28.503 28.738 -0.270 0.000 0.915 409 Q HN 0.748 nan 8.270 nan 0.000 0.455 410 Y N -0.823 119.410 120.300 -0.112 0.000 2.481 410 Y HA 0.253 4.803 4.550 -0.001 0.000 0.247 410 Y C 1.938 177.734 175.900 -0.174 0.000 1.151 410 Y CA 0.011 58.033 58.100 -0.131 0.000 1.238 410 Y CB 0.263 38.676 38.460 -0.077 0.000 1.179 410 Y HN 0.099 nan 8.280 nan 0.000 0.524 411 G N 1.791 110.483 108.800 -0.179 0.000 2.586 411 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 411 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 411 G C 1.686 176.168 174.900 -0.696 0.000 1.216 411 G CA 1.036 45.895 45.100 -0.402 0.000 0.786 411 G HN 0.340 nan 8.290 nan 0.000 0.583 412 R N 0.910 120.717 120.500 -1.156 0.000 2.369 412 R HA 0.116 4.456 4.340 -0.000 0.000 0.200 412 R C 1.598 177.738 176.300 -0.267 0.000 1.046 412 R CA 0.545 56.204 56.100 -0.736 0.000 1.057 412 R CB -0.655 29.242 30.300 -0.671 0.000 0.888 412 R HN 0.349 nan 8.270 nan 0.000 0.474 413 V N 1.022 120.808 119.914 -0.213 0.000 2.878 413 V HA -0.073 4.046 4.120 -0.000 0.000 0.250 413 V C 2.398 178.416 176.094 -0.126 0.000 1.075 413 V CA 0.711 62.932 62.300 -0.132 0.000 1.096 413 V CB -0.316 31.453 31.823 -0.089 0.000 0.724 413 V HN 0.190 nan 8.190 nan 0.000 0.467 414 L N 0.740 121.922 121.223 -0.067 0.000 2.042 414 L HA -0.155 4.184 4.340 -0.000 0.000 0.210 414 L C 2.382 179.214 176.870 -0.064 0.000 1.076 414 L CA 2.003 56.806 54.840 -0.062 0.000 0.749 414 L CB -0.272 41.850 42.059 0.105 0.000 0.893 414 L HN 0.431 nan 8.230 nan 0.000 0.432 415 R N -0.495 120.063 120.500 0.098 0.000 2.586 415 R HA 0.151 4.491 4.340 -0.000 0.000 0.336 415 R C 0.373 176.818 176.300 0.243 0.000 1.060 415 R CA -0.237 56.001 56.100 0.229 0.000 1.079 415 R CB 0.034 30.514 30.300 0.301 0.000 1.317 415 R HN 0.202 nan 8.270 nan 0.000 0.568 416 Q N 2.583 122.469 119.800 0.143 0.000 2.293 416 Q HA 0.233 4.572 4.340 -0.000 0.000 0.263 416 Q C -2.139 173.971 176.000 0.184 0.000 1.002 416 Q CA -2.190 53.685 55.803 0.120 0.000 0.910 416 Q CB 1.079 29.838 28.738 0.035 0.000 1.185 416 Q HN 0.088 nan 8.270 nan 0.000 0.401 417 P HA -0.074 nan 4.420 nan 0.000 0.266 417 P C -1.193 176.066 177.300 -0.068 0.000 1.195 417 P CA 0.088 63.071 63.100 -0.195 0.000 0.768 417 P CB 0.603 31.954 31.700 -0.582 0.000 0.838 418 V N 3.928 123.814 119.914 -0.047 0.000 2.239 418 V HA 0.134 4.254 4.120 -0.000 0.000 0.267 418 V C 0.692 176.742 176.094 -0.074 0.000 1.056 418 V CA 0.293 62.585 62.300 -0.014 0.000 0.830 418 V CB -0.116 31.750 31.823 0.073 0.000 1.090 418 V HN 0.789 nan 8.190 nan 0.000 0.459 419 D N 3.748 124.104 120.400 -0.073 0.000 4.529 419 D HA -0.284 4.356 4.640 -0.000 0.000 0.151 419 D C 1.374 177.664 176.300 -0.017 0.000 0.685 419 D CA 2.276 56.258 54.000 -0.031 0.000 1.198 419 D CB -0.342 40.456 40.800 -0.003 0.000 0.658 419 D HN 0.526 nan 8.370 nan 0.000 0.542 420 R N 0.035 120.555 120.500 0.033 0.000 2.432 420 R HA 0.447 4.787 4.340 -0.000 0.000 0.260 420 R C -0.065 176.364 176.300 0.215 0.000 0.935 420 R CA -0.123 56.097 56.100 0.201 0.000 1.080 420 R CB 0.480 30.814 30.300 0.056 0.000 1.155 420 R HN 0.304 nan 8.270 nan 0.000 0.531 421 I N 1.503 122.048 120.570 -0.041 0.000 2.371 421 I HA 0.175 4.344 4.170 -0.000 0.000 0.290 421 I C -0.564 175.252 176.117 -0.501 0.000 1.028 421 I CA -0.422 60.765 61.300 -0.188 0.000 1.345 421 I CB 0.526 38.368 38.000 -0.264 0.000 1.407 421 I HN -0.065 nan 8.210 nan 0.000 0.501 422 Y N 5.384 125.426 120.300 -0.429 0.000 2.509 422 Y HA 0.521 5.071 4.550 -0.001 0.000 0.341 422 Y C -0.488 175.096 175.900 -0.527 0.000 1.038 422 Y CA -0.854 57.021 58.100 -0.375 0.000 1.089 422 Y CB 1.608 39.987 38.460 -0.135 0.000 1.241 422 Y HN 0.279 nan 8.280 nan 0.000 0.468 423 F N 1.346 121.407 119.950 0.185 0.000 2.402 423 F HA 0.712 5.239 4.527 -0.000 0.000 0.355 423 F C 0.456 176.334 175.800 0.131 0.000 1.123 423 F CA -0.559 57.523 58.000 0.136 0.000 1.021 423 F CB 1.157 40.219 39.000 0.103 0.000 1.160 423 F HN 0.622 nan 8.300 nan 0.000 0.451 424 A N 2.454 125.440 122.820 0.276 0.000 3.687 424 A HA 0.947 5.267 4.320 -0.000 0.000 0.164 424 A C 0.441 178.159 177.584 0.223 0.000 1.564 424 A CA -0.342 51.816 52.037 0.201 0.000 0.896 424 A CB -0.220 18.856 19.000 0.127 0.000 1.731 424 A HN 1.443 nan 8.150 nan 0.000 0.607 425 G N -2.576 106.334 108.800 0.183 0.000 2.705 425 G HA2 0.072 4.032 3.960 -0.000 0.000 0.686 425 G HA3 0.072 4.032 3.960 -0.000 0.000 0.686 425 G C 0.477 175.505 174.900 0.214 0.000 1.285 425 G CA 0.690 45.903 45.100 0.188 0.000 0.800 425 G HN 1.679 nan 8.290 nan 0.000 0.611 426 T N -0.368 114.315 114.554 0.216 0.000 2.915 426 T HA -0.058 4.292 4.350 -0.000 0.000 0.269 426 T C 2.053 176.945 174.700 0.320 0.000 1.071 426 T CA 2.164 64.416 62.100 0.252 0.000 1.132 426 T CB -0.293 68.720 68.868 0.241 0.000 0.878 426 T HN 0.661 nan 8.240 nan 0.000 0.479 427 E N 0.923 121.318 120.200 0.325 0.000 2.409 427 E HA -0.067 4.282 4.350 -0.000 0.000 0.198 427 E C 1.926 178.772 176.600 0.411 0.000 1.024 427 E CA 1.344 57.989 56.400 0.408 0.000 0.861 427 E CB -0.583 29.333 29.700 0.360 0.000 0.788 427 E HN 0.753 nan 8.360 nan 0.000 0.521 428 T N -2.062 112.700 114.554 0.346 0.000 3.086 428 T HA 0.468 4.818 4.350 -0.000 0.000 0.250 428 T C 0.975 175.903 174.700 0.379 0.000 1.074 428 T CA 0.098 62.405 62.100 0.344 0.000 0.988 428 T CB 0.278 69.325 68.868 0.299 0.000 0.988 428 T HN 0.184 nan 8.240 nan 0.000 0.530 429 A N 1.844 124.889 122.820 0.374 0.000 2.346 429 A HA 0.524 4.844 4.320 -0.000 0.000 0.255 429 A C 1.540 179.376 177.584 0.420 0.000 1.113 429 A CA 0.314 52.575 52.037 0.373 0.000 0.798 429 A CB 0.125 19.312 19.000 0.313 0.000 1.073 429 A HN 0.548 nan 8.150 nan 0.000 0.502 430 T N -3.340 111.435 114.554 0.368 0.000 2.975 430 T HA 0.263 4.613 4.350 -0.000 0.000 0.261 430 T C 0.224 175.021 174.700 0.163 0.000 0.984 430 T CA 0.507 62.782 62.100 0.292 0.000 0.911 430 T CB -0.271 68.717 68.868 0.200 0.000 1.127 430 T HN 0.732 nan 8.240 nan 0.000 0.514 431 H N -0.875 118.216 119.070 0.033 0.000 2.689 431 H HA 0.268 4.824 4.556 -0.001 0.000 0.346 431 H C -0.892 174.437 175.328 0.003 0.000 1.037 431 H CA -0.971 55.023 56.048 -0.091 0.000 1.234 431 H CB 1.121 30.897 29.762 0.023 0.000 1.572 431 H HN 0.305 nan 8.280 nan 0.000 0.524 432 W N 2.278 123.280 121.300 -0.497 0.000 6.170 432 W HA -0.244 4.415 4.660 -0.001 0.000 0.394 432 W C 0.506 176.968 176.519 -0.095 0.000 1.480 432 W CA 0.958 58.031 57.345 -0.452 0.000 1.027 432 W CB -1.522 27.632 29.460 -0.509 0.000 2.638 432 W HN 0.353 nan 8.180 nan 0.000 1.547 433 S N 0.462 116.181 115.700 0.032 0.000 2.549 433 S HA 0.438 4.907 4.470 -0.000 0.000 0.286 433 S C 1.347 176.130 174.600 0.305 0.000 1.314 433 S CA 1.445 59.776 58.200 0.219 0.000 1.062 433 S CB 1.001 64.380 63.200 0.298 0.000 0.865 433 S HN 1.324 nan 8.310 nan 0.000 0.498 434 G N 3.050 112.098 108.800 0.414 0.000 2.259 434 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 434 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 434 G C -0.245 174.766 174.900 0.185 0.000 1.001 434 G CA 0.107 45.454 45.100 0.411 0.000 0.627 434 G HN 0.683 nan 8.290 nan 0.000 0.501 435 Y N -0.237 120.175 120.300 0.186 0.000 2.602 435 Y HA 0.716 5.266 4.550 -0.001 0.000 0.330 435 Y C 2.003 177.955 175.900 0.087 0.000 1.114 435 Y CA -0.746 57.422 58.100 0.113 0.000 1.182 435 Y CB 0.842 39.361 38.460 0.099 0.000 1.305 435 Y HN -0.019 nan 8.280 nan 0.000 0.502 436 M N -0.151 119.576 119.600 0.212 0.000 2.144 436 M HA -0.225 4.254 4.480 -0.000 0.000 0.260 436 M C 1.837 178.218 176.300 0.135 0.000 1.067 436 M CA 2.002 57.387 55.300 0.143 0.000 1.095 436 M CB -0.264 32.411 32.600 0.125 0.000 1.365 436 M HN 0.798 nan 8.290 nan 0.000 0.406 437 E N 0.721 120.986 120.200 0.108 0.000 2.033 437 E HA -0.164 4.186 4.350 -0.000 0.000 0.199 437 E C 1.969 178.669 176.600 0.167 0.000 1.011 437 E CA 2.176 58.623 56.400 0.078 0.000 0.815 437 E CB -0.766 28.894 29.700 -0.066 0.000 0.755 437 E HN 0.429 nan 8.360 nan 0.000 0.451 438 G N 0.233 109.176 108.800 0.238 0.000 2.505 438 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.220 438 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.220 438 G C 1.738 176.763 174.900 0.207 0.000 1.145 438 G CA 1.586 46.836 45.100 0.250 0.000 0.761 438 G HN 0.507 nan 8.290 nan 0.000 0.571 439 A N -0.223 122.707 122.820 0.184 0.000 1.972 439 A HA 0.111 4.430 4.320 -0.000 0.000 0.219 439 A C 2.601 180.257 177.584 0.120 0.000 1.169 439 A CA 1.878 54.005 52.037 0.150 0.000 0.635 439 A CB -0.410 18.667 19.000 0.129 0.000 0.810 439 A HN 0.290 nan 8.150 nan 0.000 0.446 440 V N -0.308 119.673 119.914 0.112 0.000 2.255 440 V HA -0.224 3.895 4.120 -0.000 0.000 0.243 440 V C 2.448 178.595 176.094 0.090 0.000 1.038 440 V CA 1.935 64.286 62.300 0.086 0.000 1.008 440 V CB -0.793 31.074 31.823 0.073 0.000 0.645 440 V HN 0.699 nan 8.190 nan 0.000 0.449 441 E N 0.339 120.614 120.200 0.125 0.000 2.113 441 E HA -0.356 3.993 4.350 -0.000 0.000 0.210 441 E C 2.166 178.819 176.600 0.089 0.000 1.040 441 E CA 2.173 58.654 56.400 0.136 0.000 0.847 441 E CB -0.187 29.643 29.700 0.215 0.000 0.755 441 E HN 0.553 nan 8.360 nan 0.000 0.459 442 A N 0.380 123.271 122.820 0.118 0.000 1.897 442 A HA -0.014 4.306 4.320 -0.000 0.000 0.215 442 A C 2.432 180.045 177.584 0.049 0.000 1.181 442 A CA 1.595 53.691 52.037 0.099 0.000 0.620 442 A CB -0.983 18.117 19.000 0.167 0.000 0.821 442 A HN 0.445 nan 8.150 nan 0.000 0.443 443 G N -0.020 108.815 108.800 0.059 0.000 2.446 443 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.217 443 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.217 443 G C 1.432 176.328 174.900 -0.007 0.000 1.168 443 G CA 1.086 46.207 45.100 0.035 0.000 0.771 443 G HN 0.665 nan 8.290 nan 0.000 0.551 444 E N -0.141 120.049 120.200 -0.016 0.000 2.072 444 E HA -0.054 4.296 4.350 -0.000 0.000 0.190 444 E C 2.532 179.068 176.600 -0.108 0.000 0.982 444 E CA 0.302 56.675 56.400 -0.046 0.000 0.803 444 E CB -0.187 29.500 29.700 -0.023 0.000 0.755 444 E HN 0.306 nan 8.360 nan 0.000 0.453 445 R N 1.364 121.769 120.500 -0.159 0.000 2.080 445 R HA -0.158 4.181 4.340 -0.000 0.000 0.236 445 R C 2.295 178.436 176.300 -0.266 0.000 1.137 445 R CA 1.519 57.420 56.100 -0.331 0.000 0.943 445 R CB -0.358 29.585 30.300 -0.595 0.000 0.846 445 R HN 0.146 nan 8.270 nan 0.000 0.431 446 A N 0.874 123.602 122.820 -0.152 0.000 1.917 446 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 446 A C 2.417 179.901 177.584 -0.166 0.000 1.182 446 A CA 2.093 54.077 52.037 -0.089 0.000 0.633 446 A CB -0.807 18.197 19.000 0.007 0.000 0.819 446 A HN 0.586 nan 8.150 nan 0.000 0.448 447 A N -0.522 122.215 122.820 -0.139 0.000 1.902 447 A HA -0.155 4.164 4.320 -0.000 0.000 0.217 447 A C 2.243 179.708 177.584 -0.197 0.000 1.181 447 A CA 1.459 53.404 52.037 -0.154 0.000 0.623 447 A CB -0.467 18.478 19.000 -0.093 0.000 0.818 447 A HN 0.532 nan 8.150 nan 0.000 0.443 448 R N -0.488 119.905 120.500 -0.177 0.000 2.148 448 R HA -0.092 4.248 4.340 -0.000 0.000 0.227 448 R C 1.986 178.174 176.300 -0.188 0.000 1.103 448 R CA 1.200 57.202 56.100 -0.164 0.000 0.983 448 R CB -0.245 29.965 30.300 -0.149 0.000 0.874 448 R HN 0.683 nan 8.270 nan 0.000 0.451 449 E N 0.631 120.682 120.200 -0.247 0.000 2.077 449 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 449 E C 1.970 178.309 176.600 -0.435 0.000 0.989 449 E CA 1.102 57.354 56.400 -0.247 0.000 0.800 449 E CB -0.039 29.560 29.700 -0.168 0.000 0.746 449 E HN 0.310 nan 8.360 nan 0.000 0.452 450 I N 0.924 121.097 120.570 -0.663 0.000 2.252 450 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 450 I C 2.370 178.167 176.117 -0.532 0.000 1.102 450 I CA 0.717 61.502 61.300 -0.858 0.000 1.385 450 I CB -0.168 37.339 38.000 -0.822 0.000 1.064 450 I HN 0.140 nan 8.210 nan 0.000 0.414 451 L N 0.161 121.193 121.223 -0.318 0.000 1.997 451 L HA -0.336 4.004 4.340 -0.000 0.000 0.216 451 L C 2.769 179.553 176.870 -0.143 0.000 1.074 451 L CA 2.166 56.893 54.840 -0.188 0.000 0.763 451 L CB -1.034 40.955 42.059 -0.117 0.000 0.890 451 L HN 0.399 nan 8.230 nan 0.000 0.434 452 H N -0.258 118.701 119.070 -0.185 0.000 2.421 452 H HA -0.132 4.424 4.556 -0.000 0.000 0.298 452 H C 2.014 177.285 175.328 -0.096 0.000 1.087 452 H CA 1.484 57.465 56.048 -0.111 0.000 1.330 452 H CB 0.124 29.841 29.762 -0.076 0.000 1.388 452 H HN 0.333 nan 8.280 nan 0.000 0.526 453 A N 0.343 123.026 122.820 -0.228 0.000 1.968 453 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 453 A C 2.162 179.656 177.584 -0.151 0.000 1.169 453 A CA 1.373 53.297 52.037 -0.189 0.000 0.638 453 A CB -0.434 18.468 19.000 -0.163 0.000 0.812 453 A HN 0.547 nan 8.150 nan 0.000 0.446 454 M N -0.859 118.633 119.600 -0.180 0.000 2.618 454 M HA 0.170 4.650 4.480 -0.000 0.000 0.240 454 M C 1.187 177.434 176.300 -0.088 0.000 1.123 454 M CA 0.679 55.936 55.300 -0.071 0.000 1.060 454 M CB 0.083 32.647 32.600 -0.060 0.000 1.535 454 M HN 0.559 nan 8.290 nan 0.000 0.507 455 G N 1.587 110.289 108.800 -0.163 0.000 2.246 455 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.273 455 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.273 455 G C 0.698 175.548 174.900 -0.083 0.000 1.055 455 G CA 0.313 45.325 45.100 -0.147 0.000 0.851 455 G HN 0.506 nan 8.290 nan 0.000 0.500 456 K N -0.914 119.440 120.400 -0.076 0.000 2.352 456 K HA 0.353 4.672 4.320 -0.000 0.000 0.194 456 K C 1.093 177.681 176.600 -0.019 0.000 1.038 456 K CA 1.184 57.445 56.287 -0.043 0.000 1.023 456 K CB 0.486 32.956 32.500 -0.049 0.000 0.840 456 K HN 0.800 nan 8.250 nan 0.000 0.519 457 I N -2.166 118.405 120.570 0.002 0.000 2.913 457 I HA 0.408 4.577 4.170 -0.000 0.000 0.302 457 I C -3.017 173.182 176.117 0.136 0.000 1.246 457 I CA -2.852 58.475 61.300 0.046 0.000 1.010 457 I CB 2.154 40.173 38.000 0.032 0.000 1.259 457 I HN -0.245 nan 8.210 nan 0.000 0.434 458 P HA 0.097 nan 4.420 nan 0.000 0.274 458 P C 0.195 177.602 177.300 0.177 0.000 1.246 458 P CA -0.042 63.171 63.100 0.189 0.000 0.795 458 P CB 1.082 32.840 31.700 0.095 0.000 1.006 459 E N 0.766 121.006 120.200 0.067 0.000 2.051 459 E HA -0.307 4.043 4.350 -0.000 0.000 0.192 459 E C 1.269 177.831 176.600 -0.065 0.000 0.991 459 E CA 1.696 57.932 56.400 -0.274 0.000 0.799 459 E CB -0.526 29.029 29.700 -0.242 0.000 0.748 459 E HN 0.459 nan 8.360 nan 0.000 0.449 460 D N 0.316 120.722 120.400 0.010 0.000 4.399 460 D HA -0.270 4.370 4.640 -0.000 0.000 0.192 460 D C 1.315 177.647 176.300 0.053 0.000 1.389 460 D CA 2.232 56.256 54.000 0.039 0.000 0.883 460 D CB -0.084 40.741 40.800 0.041 0.000 0.872 460 D HN 0.322 nan 8.370 nan 0.000 0.589 461 E N -1.657 118.565 120.200 0.037 0.000 2.501 461 E HA 0.211 4.561 4.350 -0.000 0.000 0.201 461 E C 1.637 178.242 176.600 0.008 0.000 1.016 461 E CA -0.282 56.139 56.400 0.034 0.000 0.920 461 E CB 0.363 30.079 29.700 0.028 0.000 1.023 461 E HN 0.420 nan 8.360 nan 0.000 0.474 462 I N -0.322 120.240 120.570 -0.013 0.000 2.193 462 I HA -0.134 4.035 4.170 -0.000 0.000 0.240 462 I C 0.381 176.378 176.117 -0.201 0.000 1.084 462 I CA 0.885 62.103 61.300 -0.136 0.000 1.365 462 I CB 0.035 37.914 38.000 -0.201 0.000 1.064 462 I HN 0.127 nan 8.210 nan 0.000 0.410 463 W N 2.327 123.624 121.300 -0.006 0.000 2.357 463 W HA 0.420 5.079 4.660 -0.000 0.000 0.317 463 W C 0.153 176.673 176.519 0.002 0.000 1.101 463 W CA -0.272 57.077 57.345 0.007 0.000 1.380 463 W CB 0.290 29.754 29.460 0.007 0.000 1.266 463 W HN 0.026 nan 8.180 nan 0.000 0.419 464 Q N 2.126 122.030 119.800 0.173 0.000 2.256 464 Q HA 0.358 4.698 4.340 -0.000 0.000 0.257 464 Q C 0.496 176.566 176.000 0.117 0.000 0.936 464 Q CA -0.448 55.424 55.803 0.115 0.000 0.903 464 Q CB 1.431 30.204 28.738 0.059 0.000 1.263 464 Q HN 0.528 nan 8.270 nan 0.000 0.440 465 S N 1.776 117.523 115.700 0.080 0.000 2.614 465 S HA 0.386 4.856 4.470 -0.000 0.000 0.265 465 S C -0.374 174.252 174.600 0.043 0.000 1.303 465 S CA -0.697 57.533 58.200 0.050 0.000 1.000 465 S CB 1.441 64.654 63.200 0.022 0.000 0.935 465 S HN 0.608 nan 8.310 nan 0.000 0.551 466 E N 0.849 121.069 120.200 0.034 0.000 2.224 466 E HA 0.565 4.915 4.350 -0.000 0.000 0.265 466 E C -2.845 173.771 176.600 0.027 0.000 0.878 466 E CA -2.052 54.370 56.400 0.037 0.000 0.759 466 E CB 1.071 30.804 29.700 0.054 0.000 1.164 466 E HN 0.555 nan 8.360 nan 0.000 0.414 467 P HA 0.064 nan 4.420 nan 0.000 0.268 467 P C -0.702 176.610 177.300 0.021 0.000 1.204 467 P CA -0.151 62.959 63.100 0.018 0.000 0.768 467 P CB 0.546 32.255 31.700 0.016 0.000 0.842 468 E N 2.092 122.302 120.200 0.017 0.000 2.413 468 E HA 0.087 4.437 4.350 -0.000 0.000 0.263 468 E C -0.076 176.533 176.600 0.016 0.000 1.015 468 E CA -0.354 56.057 56.400 0.019 0.000 0.916 468 E CB 0.449 30.158 29.700 0.015 0.000 0.947 468 E HN 0.371 nan 8.360 nan 0.000 0.440 469 S N 2.503 118.212 115.700 0.014 0.000 2.572 469 S HA 0.028 4.498 4.470 -0.000 0.000 0.279 469 S C 0.821 175.426 174.600 0.008 0.000 1.341 469 S CA -0.609 57.598 58.200 0.011 0.000 1.043 469 S CB 1.130 64.334 63.200 0.006 0.000 0.887 469 S HN 0.473 nan 8.310 nan 0.000 0.516 470 V N 3.727 123.647 119.914 0.010 0.000 2.599 470 V HA -0.000 4.120 4.120 -0.000 0.000 0.245 470 V C 1.571 177.670 176.094 0.008 0.000 1.046 470 V CA 1.738 64.044 62.300 0.009 0.000 1.065 470 V CB -0.735 31.094 31.823 0.010 0.000 0.703 470 V HN 0.878 nan 8.190 nan 0.000 0.464 471 D N 0.323 120.729 120.400 0.010 0.000 2.269 471 D HA -0.040 4.600 4.640 -0.000 0.000 0.208 471 D C 0.613 176.913 176.300 -0.000 0.000 0.963 471 D CA 0.668 54.674 54.000 0.010 0.000 0.864 471 D CB 0.141 40.952 40.800 0.018 0.000 0.936 471 D HN 0.386 nan 8.370 nan 0.000 0.505 472 V N 1.771 121.680 119.914 -0.008 0.000 2.361 472 V HA 0.248 4.368 4.120 -0.000 0.000 0.252 472 V C -2.390 173.693 176.094 -0.018 0.000 0.986 472 V CA -1.389 60.897 62.300 -0.023 0.000 1.033 472 V CB 0.260 32.055 31.823 -0.047 0.000 1.282 472 V HN -0.002 nan 8.190 nan 0.000 0.514 473 P HA 0.241 nan 4.420 nan 0.000 0.269 473 P C -0.207 177.089 177.300 -0.006 0.000 1.209 473 P CA 0.247 63.345 63.100 -0.004 0.000 0.776 473 P CB 1.336 33.035 31.700 -0.001 0.000 0.876 474 A N 2.925 125.745 122.820 0.000 0.000 2.316 474 A HA 0.225 4.544 4.320 -0.000 0.000 0.311 474 A C 0.360 177.946 177.584 0.002 0.000 1.339 474 A CA -0.377 51.662 52.037 0.003 0.000 0.960 474 A CB -0.271 18.740 19.000 0.019 0.000 1.152 474 A HN 0.429 nan 8.150 nan 0.000 0.547 475 Q N 3.026 122.825 119.800 -0.002 0.000 2.286 475 Q HA 0.217 4.557 4.340 -0.000 0.000 0.290 475 Q C -1.937 174.062 176.000 -0.001 0.000 1.049 475 Q CA -0.606 55.196 55.803 -0.002 0.000 0.923 475 Q CB 0.430 29.165 28.738 -0.005 0.000 1.183 475 Q HN 0.585 nan 8.270 nan 0.000 0.383 476 P HA 0.136 nan 4.420 nan 0.000 0.274 476 P C -0.654 176.641 177.300 -0.008 0.000 1.237 476 P CA -0.291 62.806 63.100 -0.005 0.000 0.793 476 P CB 0.834 32.530 31.700 -0.005 0.000 0.977 477 I N 1.521 122.082 120.570 -0.014 0.000 2.396 477 I HA 0.260 4.430 4.170 -0.000 0.000 0.292 477 I C 1.043 177.149 176.117 -0.018 0.000 0.999 477 I CA 0.033 61.322 61.300 -0.018 0.000 1.310 477 I CB 0.885 38.868 38.000 -0.029 0.000 1.404 477 I HN 0.452 nan 8.210 nan 0.000 0.496 478 T N 1.380 115.927 114.554 -0.012 0.000 2.916 478 T HA 0.784 5.133 4.350 -0.000 0.000 0.292 478 T C -0.204 174.487 174.700 -0.015 0.000 1.064 478 T CA -0.756 61.338 62.100 -0.010 0.000 1.011 478 T CB 2.161 71.030 68.868 0.002 0.000 1.152 478 T HN 0.653 nan 8.240 nan 0.000 0.510 479 T N -1.198 113.346 114.554 -0.017 0.000 2.893 479 T HA 0.569 4.918 4.350 -0.000 0.000 0.293 479 T C -0.030 174.671 174.700 0.001 0.000 1.027 479 T CA -0.762 61.320 62.100 -0.030 0.000 0.988 479 T CB 1.204 70.029 68.868 -0.071 0.000 1.043 479 T HN 0.674 nan 8.240 nan 0.000 0.461 480 T N 2.605 117.164 114.554 0.010 0.000 2.932 480 T HA 0.118 4.468 4.350 -0.000 0.000 0.312 480 T C 0.870 175.626 174.700 0.092 0.000 1.071 480 T CA -0.210 61.929 62.100 0.065 0.000 1.128 480 T CB 0.065 68.970 68.868 0.062 0.000 0.984 480 T HN 0.611 nan 8.240 nan 0.000 0.549 481 F N 1.987 121.954 119.950 0.028 0.000 2.120 481 F HA -0.121 4.406 4.527 -0.000 0.000 0.300 481 F C 1.947 177.803 175.800 0.095 0.000 1.095 481 F CA 1.539 59.587 58.000 0.079 0.000 1.249 481 F CB -0.317 38.736 39.000 0.089 0.000 0.995 481 F HN 0.487 nan 8.300 nan 0.000 0.480 482 L N 0.004 121.342 121.223 0.191 0.000 2.046 482 L HA -0.206 4.133 4.340 -0.000 0.000 0.208 482 L C 2.424 179.275 176.870 -0.033 0.000 1.077 482 L CA 1.615 56.512 54.840 0.095 0.000 0.747 482 L CB -0.659 41.504 42.059 0.173 0.000 0.896 482 L HN 0.192 nan 8.230 nan 0.000 0.432 483 E N -0.236 119.936 120.200 -0.045 0.000 2.058 483 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 483 E C 2.286 178.756 176.600 -0.217 0.000 0.997 483 E CA 1.178 57.504 56.400 -0.123 0.000 0.801 483 E CB -0.082 29.547 29.700 -0.117 0.000 0.746 483 E HN 0.347 nan 8.360 nan 0.000 0.450 484 R N -0.591 119.725 120.500 -0.307 0.000 2.189 484 R HA -0.075 4.265 4.340 -0.000 0.000 0.223 484 R C 1.438 177.308 176.300 -0.717 0.000 1.092 484 R CA 0.940 56.727 56.100 -0.522 0.000 0.989 484 R CB 0.164 30.067 30.300 -0.663 0.000 0.876 484 R HN 0.271 nan 8.270 nan 0.000 0.457 485 H N -1.655 117.211 119.070 -0.340 0.000 3.440 485 H HA 0.175 4.731 4.556 -0.000 0.000 0.259 485 H C -0.067 175.138 175.328 -0.206 0.000 1.120 485 H CA -0.237 55.609 56.048 -0.336 0.000 1.191 485 H CB 0.500 29.905 29.762 -0.595 0.000 1.537 485 H HN 0.011 nan 8.280 nan 0.000 0.547 486 L N 4.520 125.703 121.223 -0.067 0.000 2.490 486 L HA 0.063 4.403 4.340 -0.000 0.000 0.274 486 L C -1.605 175.228 176.870 -0.061 0.000 1.201 486 L CA -1.363 53.456 54.840 -0.035 0.000 0.869 486 L CB 0.241 42.288 42.059 -0.021 0.000 1.123 486 L HN -0.027 nan 8.230 nan 0.000 0.484 487 P HA 0.044 nan 4.420 nan 0.000 0.270 487 P C -0.533 176.705 177.300 -0.104 0.000 1.223 487 P CA -0.449 62.607 63.100 -0.072 0.000 0.785 487 P CB 0.592 32.253 31.700 -0.065 0.000 0.923 488 S N 0.248 115.870 115.700 -0.129 0.000 2.634 488 S HA 0.117 4.587 4.470 -0.000 0.000 0.261 488 S C 1.488 175.940 174.600 -0.247 0.000 1.271 488 S CA -0.683 57.415 58.200 -0.170 0.000 0.985 488 S CB -0.092 63.008 63.200 -0.168 0.000 0.968 488 S HN 0.216 nan 8.310 nan 0.000 0.568 489 V N 2.424 122.128 119.914 -0.350 0.000 2.295 489 V HA -0.068 4.051 4.120 -0.000 0.000 0.246 489 V C -0.439 175.242 176.094 -0.689 0.000 1.049 489 V CA 1.817 63.837 62.300 -0.467 0.000 1.024 489 V CB -1.840 29.714 31.823 -0.449 0.000 0.648 489 V HN 0.792 nan 8.190 nan 0.000 0.447 490 P HA -0.141 nan 4.420 nan 0.000 0.215 490 P C 1.791 178.878 177.300 -0.355 0.000 1.153 490 P CA 2.086 64.725 63.100 -0.769 0.000 0.853 490 P CB -0.344 31.012 31.700 -0.574 0.000 0.788 491 G N 0.354 108.992 108.800 -0.269 0.000 2.442 491 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 491 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 491 G C 1.572 176.392 174.900 -0.133 0.000 1.141 491 G CA 0.673 45.679 45.100 -0.156 0.000 0.763 491 G HN 0.267 nan 8.290 nan 0.000 0.554 492 L N 0.209 121.336 121.223 -0.160 0.000 2.072 492 L HA 0.201 4.540 4.340 -0.000 0.000 0.205 492 L C 2.690 179.496 176.870 -0.106 0.000 1.079 492 L CA 1.077 55.850 54.840 -0.112 0.000 0.752 492 L CB -0.240 41.756 42.059 -0.106 0.000 0.906 492 L HN 0.168 nan 8.230 nan 0.000 0.436 493 L N -0.777 120.354 121.223 -0.154 0.000 2.127 493 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 493 L C 2.772 179.599 176.870 -0.072 0.000 1.089 493 L CA 1.103 55.876 54.840 -0.113 0.000 0.757 493 L CB -0.603 41.363 42.059 -0.156 0.000 0.899 493 L HN 0.287 nan 8.230 nan 0.000 0.434 494 R N -0.345 120.107 120.500 -0.080 0.000 2.092 494 R HA -0.140 4.199 4.340 -0.000 0.000 0.231 494 R C 2.120 178.400 176.300 -0.033 0.000 1.119 494 R CA 1.068 57.141 56.100 -0.046 0.000 0.970 494 R CB -0.307 29.966 30.300 -0.046 0.000 0.864 494 R HN 0.217 nan 8.270 nan 0.000 0.440 495 L N 0.246 121.445 121.223 -0.039 0.000 2.275 495 L HA -0.080 4.259 4.340 -0.000 0.000 0.215 495 L C 1.936 178.795 176.870 -0.019 0.000 1.119 495 L CA 1.431 56.256 54.840 -0.026 0.000 0.790 495 L CB -0.099 41.943 42.059 -0.028 0.000 0.919 495 L HN 0.135 nan 8.230 nan 0.000 0.443 496 I N -2.157 118.400 120.570 -0.022 0.000 3.081 496 I HA 0.025 4.195 4.170 -0.000 0.000 0.274 496 I C 2.325 178.438 176.117 -0.007 0.000 1.178 496 I CA 0.760 62.053 61.300 -0.013 0.000 1.460 496 I CB -0.405 37.587 38.000 -0.014 0.000 1.137 496 I HN 0.196 nan 8.210 nan 0.000 0.443 497 G N 0.975 109.770 108.800 -0.009 0.000 2.408 497 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.217 497 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.217 497 G C 1.540 176.440 174.900 0.000 0.000 1.150 497 G CA 0.477 45.577 45.100 -0.001 0.000 0.776 497 G HN 0.102 nan 8.290 nan 0.000 0.542 498 L N 1.229 122.451 121.223 -0.003 0.000 1.973 498 L HA 0.028 4.367 4.340 -0.000 0.000 0.208 498 L C 2.611 179.480 176.870 -0.001 0.000 1.073 498 L CA 1.844 56.683 54.840 -0.002 0.000 0.746 498 L CB -0.992 41.065 42.059 -0.004 0.000 0.891 498 L HN 0.130 nan 8.230 nan 0.000 0.433 499 T N -0.981 113.572 114.554 -0.002 0.000 3.584 499 T HA -0.038 4.311 4.350 -0.000 0.000 0.252 499 T C 0.855 175.556 174.700 0.001 0.000 1.103 499 T CA 0.253 62.353 62.100 -0.000 0.000 0.977 499 T CB -1.002 67.866 68.868 -0.001 0.000 1.044 499 T HN 0.283 nan 8.240 nan 0.000 0.589 500 T N 0.000 114.555 114.554 0.002 0.000 3.816 500 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 500 T CA 0.000 62.102 62.100 0.004 0.000 1.349 500 T CB 0.000 68.871 68.868 0.006 0.000 0.612 500 T HN 0.000 nan 8.240 nan 0.000 0.658