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 2gge_1_B DATA FIRST_RESID 2 DATA SEQUENCE ALVKIVRIET FPLFHRLEKP YGDANGFKRY RTCYLIRIIT ESGIDGWGEC DATA SEQUENCE VDWLPALHVG FTKRIIPFLL GKQAGSRLSL VRTIQKWHQR AASAVSMALT DATA SEQUENCE EIAAKAADCS VCELWGGRYR EEIPVYASFQ SYSDSPQWIS RSVSNVEAQL DATA SEQUENCE KKGFEQIKVK IGGTSFKEDV RHINALQHTA GSSITMILDA NQSYDAAAAF DATA SEQUENCE KWERYFSEWT NIGWLEEPLP FDQPQDYAML RSRLSVPVAG GENMKGPAQY DATA SEQUENCE VPLLSQRCLD IIQPDVMHVN GIDEFRDCLQ LARYFGVRAS AHAYDGSLSR DATA SEQUENCE LYALFAQACL PPWSKMKNDH IEPIEWDVME NPFTDLVSLQ PSKGMVHIPK DATA SEQUENCE GKGIGTEINM EIVNRYKWDG SAYE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.592 177.584 0.013 0.000 1.274 2 A CA 0.000 52.046 52.037 0.015 0.000 0.836 2 A CB 0.000 19.008 19.000 0.013 0.000 0.831 3 L N 1.041 122.269 121.223 0.009 0.000 2.629 3 L HA 0.146 4.485 4.340 -0.001 0.000 0.230 3 L C -0.029 176.843 176.870 0.003 0.000 1.151 3 L CA 0.105 54.949 54.840 0.006 0.000 0.924 3 L CB 0.105 42.167 42.059 0.005 0.000 1.137 3 L HN 0.493 nan 8.230 nan 0.000 0.457 4 V N 1.288 121.205 119.914 0.005 0.000 2.557 4 V HA -0.079 4.041 4.120 -0.001 0.000 0.301 4 V C 0.724 176.816 176.094 -0.003 0.000 1.026 4 V CA 0.316 62.617 62.300 0.002 0.000 1.137 4 V CB 0.181 32.008 31.823 0.006 0.000 0.917 4 V HN 0.300 nan 8.190 nan 0.000 0.484 5 K N 4.645 125.040 120.400 -0.008 0.000 2.144 5 K HA 0.501 4.820 4.320 -0.001 0.000 0.270 5 K C -0.223 176.366 176.600 -0.017 0.000 1.005 5 K CA -0.542 55.734 56.287 -0.017 0.000 0.932 5 K CB 1.153 33.641 32.500 -0.020 0.000 1.021 5 K HN 0.531 nan 8.250 nan 0.000 0.462 6 I N 3.163 123.717 120.570 -0.026 0.000 2.533 6 I HA -0.081 4.088 4.170 -0.001 0.000 0.284 6 I C 1.263 177.364 176.117 -0.027 0.000 1.109 6 I CA 0.003 61.288 61.300 -0.026 0.000 1.412 6 I CB 0.538 38.520 38.000 -0.030 0.000 1.396 6 I HN 0.515 nan 8.210 nan 0.000 0.543 7 V N 2.732 122.632 119.914 -0.023 0.000 3.572 7 V HA 0.392 4.511 4.120 -0.001 0.000 0.260 7 V C 0.582 176.663 176.094 -0.022 0.000 1.324 7 V CA -0.069 62.218 62.300 -0.021 0.000 1.068 7 V CB 0.200 32.013 31.823 -0.016 0.000 0.837 7 V HN 0.833 nan 8.190 nan 0.000 0.450 8 R N -0.127 120.356 120.500 -0.028 0.000 2.604 8 R HA 0.736 5.076 4.340 -0.001 0.000 0.270 8 R C -2.180 174.090 176.300 -0.049 0.000 1.052 8 R CA -0.697 55.382 56.100 -0.035 0.000 0.902 8 R CB 2.427 32.706 30.300 -0.036 0.000 1.233 8 R HN 0.358 nan 8.270 nan 0.000 0.455 9 I N 2.693 123.232 120.570 -0.052 0.000 2.499 9 I HA 0.316 4.486 4.170 -0.001 0.000 0.288 9 I C -0.579 175.464 176.117 -0.122 0.000 1.048 9 I CA -0.707 60.547 61.300 -0.076 0.000 1.062 9 I CB 2.300 40.289 38.000 -0.018 0.000 1.238 9 I HN 0.512 nan 8.210 nan 0.000 0.426 10 E N 3.854 123.939 120.200 -0.193 0.000 2.214 10 E HA 0.525 4.875 4.350 -0.001 0.000 0.274 10 E C -0.651 175.673 176.600 -0.461 0.000 0.977 10 E CA -0.755 55.452 56.400 -0.322 0.000 0.827 10 E CB 2.124 31.645 29.700 -0.299 0.000 1.130 10 E HN 0.604 nan 8.360 nan 0.000 0.394 11 T N -0.833 113.330 114.554 -0.653 0.000 2.829 11 T HA 0.592 4.942 4.350 -0.001 0.000 0.280 11 T C -0.676 173.413 174.700 -1.017 0.000 0.999 11 T CA -0.787 60.935 62.100 -0.630 0.000 0.983 11 T CB 0.324 69.070 68.868 -0.203 0.000 0.968 11 T HN 0.286 nan 8.240 nan 0.000 0.446 12 F N 3.400 123.086 119.950 -0.440 0.000 2.564 12 F HA 0.377 4.904 4.527 -0.001 0.000 0.368 12 F C -2.413 173.070 175.800 -0.529 0.000 1.127 12 F CA -2.493 55.314 58.000 -0.323 0.000 1.170 12 F CB 1.656 40.606 39.000 -0.084 0.000 1.397 12 F HN 0.360 nan 8.300 nan 0.000 0.493 13 P HA 0.213 nan 4.420 nan 0.000 0.276 13 P C -0.689 176.647 177.300 0.061 0.000 1.243 13 P CA 0.197 63.154 63.100 -0.239 0.000 0.768 13 P CB 1.441 33.121 31.700 -0.033 0.000 0.856 14 L N 4.025 125.245 121.223 -0.005 0.000 2.341 14 L HA 0.670 5.010 4.340 -0.001 0.000 0.267 14 L C -0.244 176.767 176.870 0.235 0.000 1.009 14 L CA -0.993 53.920 54.840 0.123 0.000 0.819 14 L CB 1.875 43.842 42.059 -0.153 0.000 1.323 14 L HN 0.312 nan 8.230 nan 0.000 0.425 15 F N 1.054 121.242 119.950 0.396 0.000 2.608 15 F HA 0.533 5.059 4.527 -0.001 0.000 0.309 15 F C -1.186 174.960 175.800 0.576 0.000 1.103 15 F CA -0.435 57.794 58.000 0.381 0.000 0.954 15 F CB 1.721 40.873 39.000 0.253 0.000 1.267 15 F HN 0.537 nan 8.300 nan 0.000 0.444 16 H N 4.505 123.339 119.070 -0.393 0.000 2.934 16 H HA 0.402 4.958 4.556 -0.001 0.000 0.340 16 H C -1.374 173.664 175.328 -0.484 0.000 1.008 16 H CA -0.774 55.111 56.048 -0.272 0.000 1.317 16 H CB 1.274 30.784 29.762 -0.420 0.000 1.670 16 H HN 0.826 nan 8.280 nan 0.000 0.516 17 R N 5.560 125.691 120.500 -0.615 0.000 2.308 17 R HA 0.338 4.678 4.340 -0.001 0.000 0.305 17 R C -0.670 175.237 176.300 -0.654 0.000 1.053 17 R CA -0.555 55.323 56.100 -0.370 0.000 0.957 17 R CB 0.468 30.867 30.300 0.164 0.000 1.022 17 R HN 0.635 nan 8.270 nan 0.000 0.461 18 L N 3.971 124.961 121.223 -0.388 0.000 2.426 18 L HA 0.046 4.386 4.340 -0.001 0.000 0.271 18 L C 1.584 178.377 176.870 -0.128 0.000 1.169 18 L CA 0.203 54.877 54.840 -0.276 0.000 0.836 18 L CB 1.066 42.956 42.059 -0.282 0.000 1.112 18 L HN 0.850 nan 8.230 nan 0.000 0.465 19 E N 1.773 121.956 120.200 -0.027 0.000 2.046 19 E HA -0.062 4.287 4.350 -0.001 0.000 0.190 19 E C -0.087 176.522 176.600 0.015 0.000 0.982 19 E CA 1.130 57.544 56.400 0.024 0.000 0.800 19 E CB 0.393 30.139 29.700 0.076 0.000 0.756 19 E HN 0.455 nan 8.360 nan 0.000 0.449 20 K N 1.263 121.676 120.400 0.022 0.000 2.413 20 K HA 0.330 4.650 4.320 -0.001 0.000 0.257 20 K C -2.621 173.947 176.600 -0.053 0.000 0.946 20 K CA -2.073 54.222 56.287 0.014 0.000 0.823 20 K CB 2.010 34.556 32.500 0.078 0.000 1.109 20 K HN -0.069 nan 8.250 nan 0.000 0.427 21 P HA 0.069 nan 4.420 nan 0.000 0.272 21 P C -1.372 175.913 177.300 -0.026 0.000 1.230 21 P CA -0.203 62.778 63.100 -0.199 0.000 0.788 21 P CB 0.246 31.845 31.700 -0.169 0.000 0.949 22 Y N -2.000 118.433 120.300 0.222 0.000 2.615 22 Y HA 0.876 5.425 4.550 -0.001 0.000 0.341 22 Y C -0.058 176.031 175.900 0.314 0.000 1.089 22 Y CA -1.325 56.950 58.100 0.291 0.000 1.049 22 Y CB 1.173 39.746 38.460 0.189 0.000 1.296 22 Y HN 0.628 nan 8.280 nan 0.000 0.470 23 G N 0.132 109.208 108.800 0.460 0.000 2.687 23 G HA2 0.564 4.524 3.960 -0.001 0.000 0.291 23 G HA3 0.564 4.524 3.960 -0.001 0.000 0.291 23 G C -2.144 172.804 174.900 0.080 0.000 1.420 23 G CA -0.565 44.613 45.100 0.130 0.000 0.796 23 G HN 0.897 nan 8.290 nan 0.000 0.485 24 D N -2.212 118.200 120.400 0.021 0.000 2.904 24 D HA 0.593 5.233 4.640 -0.001 0.000 0.290 24 D C 1.383 177.748 176.300 0.108 0.000 1.180 24 D CA 0.211 54.251 54.000 0.067 0.000 1.065 24 D CB 0.802 41.567 40.800 -0.058 0.000 1.386 24 D HN 0.756 nan 8.370 nan 0.000 0.599 25 A N -0.554 122.316 122.820 0.083 0.000 2.070 25 A HA -0.157 4.163 4.320 -0.001 0.000 0.220 25 A C 1.463 178.986 177.584 -0.102 0.000 1.159 25 A CA 1.268 53.294 52.037 -0.017 0.000 0.656 25 A CB -0.897 18.085 19.000 -0.030 0.000 0.800 25 A HN 0.496 nan 8.150 nan 0.000 0.453 26 N N -0.441 118.201 118.700 -0.095 0.000 2.463 26 N HA 0.240 4.980 4.740 -0.001 0.000 0.181 26 N C 0.925 176.350 175.510 -0.142 0.000 1.078 26 N CA 1.146 54.136 53.050 -0.101 0.000 0.902 26 N CB 0.294 38.736 38.487 -0.075 0.000 0.970 26 N HN 0.654 nan 8.380 nan 0.000 0.451 27 G N -0.105 108.561 108.800 -0.225 0.000 2.331 27 G HA2 -0.060 3.899 3.960 -0.001 0.000 0.402 27 G HA3 -0.060 3.899 3.960 -0.001 0.000 0.402 27 G C -1.444 173.223 174.900 -0.388 0.000 1.275 27 G CA -1.033 43.855 45.100 -0.354 0.000 1.003 27 G HN -0.011 nan 8.290 nan 0.000 0.500 28 F N 1.583 121.505 119.950 -0.046 0.000 2.443 28 F HA 0.513 5.040 4.527 -0.000 0.000 0.353 28 F C 1.277 177.009 175.800 -0.113 0.000 1.101 28 F CA 0.019 57.986 58.000 -0.055 0.000 1.226 28 F CB 1.212 40.181 39.000 -0.053 0.000 1.140 28 F HN 0.270 nan 8.300 nan 0.000 0.557 29 K N 3.569 123.980 120.400 0.019 0.000 2.205 29 K HA 0.350 4.669 4.320 -0.001 0.000 0.279 29 K C 0.622 177.043 176.600 -0.298 0.000 1.027 29 K CA -0.690 55.486 56.287 -0.186 0.000 0.932 29 K CB 1.277 33.698 32.500 -0.130 0.000 1.032 29 K HN 0.486 nan 8.250 nan 0.000 0.466 30 R N 1.580 121.826 120.500 -0.422 0.000 2.373 30 R HA 0.110 4.449 4.340 -0.001 0.000 0.221 30 R C -0.115 175.980 176.300 -0.343 0.000 0.893 30 R CA 0.276 56.173 56.100 -0.338 0.000 1.049 30 R CB 0.197 30.319 30.300 -0.297 0.000 1.119 30 R HN 0.727 nan 8.270 nan 0.000 0.535 31 Y N -2.259 117.812 120.300 -0.382 0.000 2.689 31 Y HA 0.681 5.231 4.550 -0.001 0.000 0.333 31 Y C -0.877 174.854 175.900 -0.281 0.000 1.208 31 Y CA -1.604 56.223 58.100 -0.456 0.000 1.055 31 Y CB 0.910 38.962 38.460 -0.680 0.000 1.304 31 Y HN -0.394 nan 8.280 nan 0.000 0.455 32 R N 0.881 121.383 120.500 0.003 0.000 2.854 32 R HA 0.808 5.148 4.340 -0.001 0.000 0.271 32 R C -0.922 175.535 176.300 0.263 0.000 0.996 32 R CA -0.458 55.730 56.100 0.147 0.000 0.961 32 R CB 1.770 32.160 30.300 0.150 0.000 1.182 32 R HN 1.056 nan 8.270 nan 0.000 0.479 33 T N -3.222 111.464 114.554 0.221 0.000 2.816 33 T HA 0.610 4.960 4.350 -0.001 0.000 0.299 33 T C -0.887 173.643 174.700 -0.284 0.000 1.230 33 T CA -0.743 61.364 62.100 0.013 0.000 1.007 33 T CB 1.763 70.664 68.868 0.054 0.000 1.289 33 T HN 0.676 nan 8.240 nan 0.000 0.508 34 C N 1.227 120.253 119.300 -0.457 0.000 3.090 34 C HA 0.766 5.226 4.460 -0.001 0.000 0.347 34 C C -2.204 172.678 174.990 -0.180 0.000 1.147 34 C CA -0.722 58.033 59.018 -0.439 0.000 1.305 34 C CB 0.494 27.656 27.740 -0.964 0.000 1.692 34 C HN 1.052 nan 8.230 nan 0.000 0.506 35 Y N 5.562 125.775 120.300 -0.145 0.000 2.327 35 Y HA 0.717 5.267 4.550 -0.000 0.000 0.325 35 Y C -0.944 174.944 175.900 -0.019 0.000 0.999 35 Y CA -0.637 57.425 58.100 -0.064 0.000 1.195 35 Y CB 0.898 39.340 38.460 -0.031 0.000 1.132 35 Y HN 0.718 nan 8.280 nan 0.000 0.455 36 L N 7.369 128.576 121.223 -0.027 0.000 2.331 36 L HA 0.666 5.006 4.340 -0.001 0.000 0.275 36 L C -0.477 176.490 176.870 0.161 0.000 1.022 36 L CA -1.208 53.740 54.840 0.180 0.000 0.812 36 L CB 1.892 44.136 42.059 0.308 0.000 1.257 36 L HN 0.643 nan 8.230 nan 0.000 0.435 37 I N -0.344 120.325 120.570 0.165 0.000 2.785 37 I HA 0.666 4.836 4.170 -0.001 0.000 0.302 37 I C -0.769 175.256 176.117 -0.154 0.000 1.069 37 I CA -0.825 60.459 61.300 -0.027 0.000 1.045 37 I CB 2.277 40.165 38.000 -0.186 0.000 1.236 37 I HN 0.598 nan 8.210 nan 0.000 0.429 38 R N 5.648 125.939 120.500 -0.348 0.000 2.483 38 R HA 0.614 4.954 4.340 -0.001 0.000 0.303 38 R C -1.849 174.236 176.300 -0.358 0.000 0.987 38 R CA -0.589 55.096 56.100 -0.693 0.000 0.881 38 R CB 1.528 31.105 30.300 -1.204 0.000 1.177 38 R HN 0.820 nan 8.270 nan 0.000 0.451 39 I N 6.561 126.970 120.570 -0.267 0.000 2.331 39 I HA 0.338 4.507 4.170 -0.001 0.000 0.292 39 I C -0.083 175.962 176.117 -0.120 0.000 0.998 39 I CA -0.763 60.458 61.300 -0.132 0.000 1.267 39 I CB 1.562 39.533 38.000 -0.049 0.000 1.386 39 I HN 0.499 nan 8.210 nan 0.000 0.476 40 I N 5.410 125.930 120.570 -0.083 0.000 2.436 40 I HA 0.279 4.448 4.170 -0.001 0.000 0.289 40 I C 0.502 176.601 176.117 -0.030 0.000 1.010 40 I CA -0.459 60.807 61.300 -0.056 0.000 1.098 40 I CB 2.116 40.084 38.000 -0.053 0.000 1.266 40 I HN 0.576 nan 8.210 nan 0.000 0.434 41 T N 0.006 114.550 114.554 -0.016 0.000 2.912 41 T HA 0.292 4.642 4.350 -0.001 0.000 0.280 41 T C 0.937 175.633 174.700 -0.006 0.000 0.989 41 T CA -0.507 61.587 62.100 -0.009 0.000 0.995 41 T CB 1.649 70.517 68.868 -0.000 0.000 1.077 41 T HN 0.675 nan 8.240 nan 0.000 0.531 42 E N 0.249 120.446 120.200 -0.005 0.000 2.147 42 E HA -0.196 4.154 4.350 -0.001 0.000 0.199 42 E C 1.944 178.545 176.600 0.001 0.000 1.005 42 E CA 1.825 58.223 56.400 -0.003 0.000 0.810 42 E CB -0.183 29.515 29.700 -0.003 0.000 0.736 42 E HN 0.789 nan 8.360 nan 0.000 0.460 43 S N -1.955 113.747 115.700 0.004 0.000 2.575 43 S HA 0.218 4.688 4.470 -0.001 0.000 0.215 43 S C 1.444 176.050 174.600 0.010 0.000 0.966 43 S CA 0.362 58.566 58.200 0.007 0.000 0.911 43 S CB 0.849 64.054 63.200 0.009 0.000 0.780 43 S HN 0.436 nan 8.310 nan 0.000 0.514 44 G N 1.306 110.111 108.800 0.009 0.000 2.199 44 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.254 44 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.254 44 G C 0.058 174.970 174.900 0.020 0.000 0.982 44 G CA 0.063 45.171 45.100 0.014 0.000 0.632 44 G HN 0.602 nan 8.290 nan 0.000 0.529 45 I N 2.541 123.123 120.570 0.019 0.000 2.618 45 I HA 0.366 4.535 4.170 -0.001 0.000 0.284 45 I C 0.376 176.507 176.117 0.023 0.000 1.146 45 I CA 0.156 61.473 61.300 0.028 0.000 1.425 45 I CB 0.519 38.536 38.000 0.028 0.000 1.383 45 I HN 0.380 nan 8.210 nan 0.000 0.562 46 D N 4.615 125.038 120.400 0.039 0.000 2.477 46 D HA 0.751 5.390 4.640 -0.001 0.000 0.234 46 D C -0.544 175.784 176.300 0.046 0.000 1.048 46 D CA -0.676 53.328 54.000 0.008 0.000 0.959 46 D CB 2.049 42.827 40.800 -0.035 0.000 1.408 46 D HN 0.610 nan 8.370 nan 0.000 0.496 47 G N -1.090 107.698 108.800 -0.020 0.000 2.696 47 G HA2 0.521 4.481 3.960 -0.001 0.000 0.295 47 G HA3 0.521 4.481 3.960 -0.001 0.000 0.295 47 G C -1.968 172.893 174.900 -0.066 0.000 1.398 47 G CA -1.076 44.076 45.100 0.087 0.000 0.920 47 G HN 0.308 nan 8.290 nan 0.000 0.492 48 W N 0.050 121.409 121.300 0.098 0.000 2.570 48 W HA 0.711 5.370 4.660 -0.001 0.000 0.337 48 W C 0.476 177.053 176.519 0.097 0.000 1.067 48 W CA -0.232 57.168 57.345 0.092 0.000 1.229 48 W CB 2.544 32.047 29.460 0.072 0.000 1.355 48 W HN 0.792 nan 8.180 nan 0.000 0.555 49 G N 0.618 109.582 108.800 0.274 0.000 2.658 49 G HA2 0.654 4.614 3.960 -0.001 0.000 0.292 49 G HA3 0.654 4.614 3.960 -0.001 0.000 0.292 49 G C -1.905 173.109 174.900 0.190 0.000 1.320 49 G CA -0.721 44.487 45.100 0.179 0.000 0.933 49 G HN 0.391 nan 8.290 nan 0.000 0.476 50 E N -1.478 118.802 120.200 0.133 0.000 2.314 50 E HA 0.573 4.922 4.350 -0.001 0.000 0.272 50 E C -0.698 175.967 176.600 0.108 0.000 0.884 50 E CA -0.839 55.634 56.400 0.122 0.000 0.753 50 E CB 2.034 31.776 29.700 0.071 0.000 1.213 50 E HN 0.853 nan 8.360 nan 0.000 0.432 51 C N 0.443 119.827 119.300 0.140 0.000 3.285 51 C HA 0.916 5.375 4.460 -0.001 0.000 0.320 51 C C -0.998 174.053 174.990 0.103 0.000 1.411 51 C CA -0.700 58.385 59.018 0.112 0.000 1.429 51 C CB 0.741 28.549 27.740 0.113 0.000 1.812 51 C HN 0.460 nan 8.230 nan 0.000 0.454 52 V N 1.467 121.439 119.914 0.096 0.000 2.808 52 V HA 0.845 4.965 4.120 -0.001 0.000 0.308 52 V C -1.154 175.011 176.094 0.118 0.000 1.099 52 V CA 0.337 62.701 62.300 0.106 0.000 0.920 52 V CB 1.808 33.701 31.823 0.116 0.000 1.014 52 V HN 1.164 nan 8.190 nan 0.000 0.425 53 D N 1.639 122.112 120.400 0.122 0.000 2.804 53 D HA 0.126 4.766 4.640 -0.001 0.000 0.309 53 D C -1.676 174.746 176.300 0.204 0.000 1.311 53 D CA -0.586 53.517 54.000 0.171 0.000 0.765 53 D CB 1.041 41.947 40.800 0.177 0.000 1.293 53 D HN 0.405 nan 8.370 nan 0.000 0.434 54 W N 3.017 124.363 121.300 0.076 0.000 2.417 54 W HA 0.145 4.805 4.660 -0.000 0.000 0.332 54 W C 0.945 177.470 176.519 0.009 0.000 1.413 54 W CA 0.211 57.597 57.345 0.069 0.000 1.299 54 W CB -0.033 29.479 29.460 0.086 0.000 1.304 54 W HN 0.391 nan 8.180 nan 0.000 0.565 55 L N 8.157 129.041 121.223 -0.564 0.000 2.012 55 L HA -0.184 4.156 4.340 -0.001 0.000 0.210 55 L C -0.282 176.201 176.870 -0.646 0.000 1.073 55 L CA 1.340 55.768 54.840 -0.686 0.000 0.748 55 L CB -1.859 39.382 42.059 -1.363 0.000 0.891 55 L HN 0.344 nan 8.230 nan 0.000 0.431 56 P HA -0.179 nan 4.420 nan 0.000 0.215 56 P C 1.406 178.597 177.300 -0.181 0.000 1.153 56 P CA 1.807 64.656 63.100 -0.418 0.000 0.853 56 P CB 0.017 31.286 31.700 -0.719 0.000 0.788 57 A N -0.920 121.802 122.820 -0.163 0.000 1.897 57 A HA -0.134 4.186 4.320 -0.001 0.000 0.215 57 A C 2.110 179.773 177.584 0.132 0.000 1.181 57 A CA 1.119 53.237 52.037 0.135 0.000 0.620 57 A CB -1.645 17.562 19.000 0.344 0.000 0.821 57 A HN 0.101 nan 8.150 nan 0.000 0.443 58 L N -0.340 120.947 121.223 0.106 0.000 2.013 58 L HA -0.250 4.089 4.340 -0.001 0.000 0.212 58 L C 2.401 179.287 176.870 0.026 0.000 1.073 58 L CA 2.645 57.501 54.840 0.027 0.000 0.753 58 L CB -0.846 41.122 42.059 -0.152 0.000 0.890 58 L HN 0.660 nan 8.230 nan 0.000 0.432 59 H N -1.097 117.998 119.070 0.041 0.000 2.326 59 H HA -0.118 4.438 4.556 -0.000 0.000 0.301 59 H C 2.163 177.622 175.328 0.218 0.000 1.081 59 H CA 2.322 58.526 56.048 0.262 0.000 1.334 59 H CB 0.193 30.199 29.762 0.407 0.000 1.385 59 H HN 0.366 nan 8.280 nan 0.000 0.504 60 V N -0.871 119.081 119.914 0.063 0.000 2.490 60 V HA -0.056 4.064 4.120 -0.001 0.000 0.250 60 V C 2.591 178.673 176.094 -0.020 0.000 1.061 60 V CA 1.694 63.986 62.300 -0.014 0.000 1.064 60 V CB -1.423 30.415 31.823 0.025 0.000 0.670 60 V HN 0.444 nan 8.190 nan 0.000 0.461 61 G N -0.367 108.439 108.800 0.008 0.000 2.476 61 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.218 61 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.218 61 G C 1.336 176.148 174.900 -0.148 0.000 1.164 61 G CA 1.322 46.398 45.100 -0.040 0.000 0.768 61 G HN 0.515 nan 8.290 nan 0.000 0.560 62 F N 1.570 121.483 119.950 -0.062 0.000 2.084 62 F HA -0.045 4.482 4.527 -0.000 0.000 0.296 62 F C 3.287 179.050 175.800 -0.060 0.000 1.111 62 F CA 1.977 59.950 58.000 -0.046 0.000 1.224 62 F CB -0.818 38.170 39.000 -0.020 0.000 0.991 62 F HN 0.234 nan 8.300 nan 0.000 0.471 63 T N -2.385 112.206 114.554 0.062 0.000 2.985 63 T HA -0.075 4.275 4.350 -0.001 0.000 0.266 63 T C 1.565 176.247 174.700 -0.029 0.000 1.076 63 T CA 0.995 63.078 62.100 -0.027 0.000 1.135 63 T CB -0.264 68.500 68.868 -0.173 0.000 0.890 63 T HN 0.210 nan 8.240 nan 0.000 0.480 64 K N -0.176 120.194 120.400 -0.049 0.000 2.353 64 K HA 0.371 4.691 4.320 -0.001 0.000 0.195 64 K C 2.086 178.625 176.600 -0.103 0.000 1.031 64 K CA -0.050 56.197 56.287 -0.066 0.000 1.079 64 K CB 0.558 33.017 32.500 -0.067 0.000 0.857 64 K HN 0.285 nan 8.250 nan 0.000 0.535 65 R N -0.081 120.352 120.500 -0.112 0.000 3.350 65 R HA 0.252 4.592 4.340 -0.001 0.000 0.148 65 R C 1.633 177.879 176.300 -0.091 0.000 0.732 65 R CA 0.097 56.075 56.100 -0.203 0.000 1.152 65 R CB 0.038 30.114 30.300 -0.374 0.000 1.613 65 R HN -0.069 nan 8.270 nan 0.000 0.529 66 I N 1.132 121.687 120.570 -0.026 0.000 2.163 66 I HA -0.192 3.977 4.170 -0.001 0.000 0.240 66 I C 2.046 178.312 176.117 0.248 0.000 1.081 66 I CA 1.355 62.731 61.300 0.127 0.000 1.353 66 I CB -0.085 37.875 38.000 -0.066 0.000 1.054 66 I HN 0.209 nan 8.210 nan 0.000 0.407 67 I N 0.620 121.318 120.570 0.214 0.000 2.142 67 I HA -0.195 3.974 4.170 -0.001 0.000 0.240 67 I C -0.407 175.783 176.117 0.121 0.000 1.078 67 I CA 1.567 62.976 61.300 0.182 0.000 1.343 67 I CB -1.651 36.438 38.000 0.150 0.000 1.046 67 I HN 0.112 nan 8.210 nan 0.000 0.405 68 P HA -0.255 nan 4.420 nan 0.000 0.218 68 P C 1.668 179.040 177.300 0.120 0.000 1.152 68 P CA 1.664 64.804 63.100 0.066 0.000 0.857 68 P CB -0.123 31.593 31.700 0.026 0.000 0.787 69 F N -0.441 119.531 119.950 0.037 0.000 2.163 69 F HA -0.073 4.454 4.527 -0.000 0.000 0.297 69 F C 1.892 177.760 175.800 0.114 0.000 1.094 69 F CA 1.254 59.318 58.000 0.106 0.000 1.290 69 F CB -0.862 38.289 39.000 0.252 0.000 1.017 69 F HN -0.246 nan 8.300 nan 0.000 0.483 70 L N 0.283 121.502 121.223 -0.007 0.000 2.056 70 L HA -0.106 4.234 4.340 -0.001 0.000 0.207 70 L C 0.917 177.693 176.870 -0.156 0.000 1.078 70 L CA 0.287 55.037 54.840 -0.151 0.000 0.749 70 L CB -0.734 41.365 42.059 0.068 0.000 0.901 70 L HN -0.030 nan 8.230 nan 0.000 0.433 71 L N 0.966 122.149 121.223 -0.066 0.000 2.706 71 L HA -0.113 4.227 4.340 -0.001 0.000 0.282 71 L C 1.327 178.145 176.870 -0.086 0.000 1.219 71 L CA 0.916 55.723 54.840 -0.055 0.000 0.935 71 L CB -0.323 41.721 42.059 -0.025 0.000 1.204 71 L HN 0.496 nan 8.230 nan 0.000 0.491 72 G N 1.825 110.582 108.800 -0.072 0.000 2.217 72 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.246 72 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.246 72 G C 0.448 175.294 174.900 -0.090 0.000 0.990 72 G CA -0.354 44.705 45.100 -0.069 0.000 0.627 72 G HN 0.479 nan 8.290 nan 0.000 0.522 73 K N 0.502 120.821 120.400 -0.134 0.000 2.120 73 K HA 0.392 4.712 4.320 -0.001 0.000 0.245 73 K C 0.415 176.971 176.600 -0.074 0.000 1.024 73 K CA -0.355 55.846 56.287 -0.143 0.000 0.906 73 K CB 0.373 32.721 32.500 -0.254 0.000 1.051 73 K HN 0.229 nan 8.250 nan 0.000 0.491 74 Q N 0.549 120.318 119.800 -0.051 0.000 2.295 74 Q HA 0.154 4.493 4.340 -0.001 0.000 0.259 74 Q C 0.716 176.711 176.000 -0.008 0.000 0.976 74 Q CA -0.065 55.725 55.803 -0.021 0.000 0.923 74 Q CB 1.436 30.169 28.738 -0.009 0.000 1.185 74 Q HN 0.721 nan 8.270 nan 0.000 0.410 75 A N 3.017 125.838 122.820 0.001 0.000 2.070 75 A HA -0.081 4.239 4.320 -0.001 0.000 0.220 75 A C 1.711 179.313 177.584 0.031 0.000 1.159 75 A CA 1.621 53.667 52.037 0.017 0.000 0.656 75 A CB -0.284 18.727 19.000 0.018 0.000 0.800 75 A HN 0.800 nan 8.150 nan 0.000 0.453 76 G N -1.324 107.493 108.800 0.028 0.000 2.744 76 G HA2 0.130 4.090 3.960 -0.001 0.000 0.211 76 G HA3 0.130 4.090 3.960 -0.001 0.000 0.211 76 G C 0.826 175.751 174.900 0.042 0.000 1.143 76 G CA 0.672 45.794 45.100 0.038 0.000 0.788 76 G HN 0.396 nan 8.290 nan 0.000 0.534 77 S N 0.215 115.937 115.700 0.037 0.000 2.849 77 S HA 0.206 4.676 4.470 -0.001 0.000 0.244 77 S C 1.733 176.366 174.600 0.054 0.000 1.297 77 S CA -0.539 57.685 58.200 0.041 0.000 1.241 77 S CB 0.281 63.500 63.200 0.031 0.000 0.958 77 S HN 0.487 nan 8.310 nan 0.000 0.489 78 R N 1.131 121.669 120.500 0.063 0.000 2.070 78 R HA -0.050 4.290 4.340 -0.001 0.000 0.233 78 R C 1.755 178.096 176.300 0.070 0.000 1.137 78 R CA 1.416 57.561 56.100 0.076 0.000 0.945 78 R CB -0.302 30.053 30.300 0.092 0.000 0.845 78 R HN 0.446 nan 8.270 nan 0.000 0.430 79 L N -0.133 121.127 121.223 0.062 0.000 2.013 79 L HA -0.223 4.117 4.340 -0.001 0.000 0.212 79 L C 2.723 179.615 176.870 0.038 0.000 1.073 79 L CA 1.802 56.671 54.840 0.049 0.000 0.753 79 L CB -0.617 41.467 42.059 0.042 0.000 0.890 79 L HN 0.331 nan 8.230 nan 0.000 0.432 80 S N -0.189 115.536 115.700 0.042 0.000 2.371 80 S HA -0.074 4.395 4.470 -0.001 0.000 0.224 80 S C 2.009 176.645 174.600 0.060 0.000 1.029 80 S CA 0.739 58.962 58.200 0.039 0.000 0.978 80 S CB -0.114 63.113 63.200 0.044 0.000 0.833 80 S HN 0.287 nan 8.310 nan 0.000 0.466 81 L N 1.081 122.362 121.223 0.096 0.000 2.027 81 L HA -0.038 4.301 4.340 -0.001 0.000 0.206 81 L C 2.566 179.506 176.870 0.116 0.000 1.074 81 L CA 1.065 56.009 54.840 0.174 0.000 0.745 81 L CB -0.601 41.555 42.059 0.161 0.000 0.898 81 L HN 0.230 nan 8.230 nan 0.000 0.433 82 V N -0.274 119.682 119.914 0.070 0.000 2.343 82 V HA -0.300 3.819 4.120 -0.001 0.000 0.247 82 V C 2.624 178.699 176.094 -0.031 0.000 1.051 82 V CA 1.785 64.107 62.300 0.036 0.000 1.036 82 V CB -0.708 31.142 31.823 0.044 0.000 0.654 82 V HN 0.430 nan 8.190 nan 0.000 0.451 83 R N 0.314 120.791 120.500 -0.038 0.000 2.091 83 R HA -0.209 4.131 4.340 -0.001 0.000 0.238 83 R C 2.571 178.754 176.300 -0.196 0.000 1.136 83 R CA 2.205 58.252 56.100 -0.088 0.000 0.959 83 R CB -0.468 29.796 30.300 -0.060 0.000 0.856 83 R HN 0.751 nan 8.270 nan 0.000 0.437 84 T N -1.234 113.169 114.554 -0.250 0.000 2.737 84 T HA -0.073 4.277 4.350 -0.001 0.000 0.265 84 T C 1.998 176.216 174.700 -0.803 0.000 1.038 84 T CA 1.314 63.080 62.100 -0.556 0.000 1.144 84 T CB -0.353 68.143 68.868 -0.621 0.000 0.866 84 T HN 0.235 nan 8.240 nan 0.000 0.434 85 I N 1.328 121.609 120.570 -0.481 0.000 2.264 85 I HA -0.211 3.959 4.170 -0.001 0.000 0.248 85 I C 3.079 179.074 176.117 -0.203 0.000 1.111 85 I CA 1.500 62.621 61.300 -0.297 0.000 1.382 85 I CB -0.582 37.405 38.000 -0.022 0.000 1.060 85 I HN 0.352 nan 8.210 nan 0.000 0.418 86 Q N 0.908 120.601 119.800 -0.177 0.000 2.173 86 Q HA -0.275 4.065 4.340 -0.001 0.000 0.208 86 Q C 2.069 177.993 176.000 -0.126 0.000 0.989 86 Q CA 1.852 57.590 55.803 -0.109 0.000 0.872 86 Q CB -0.029 28.648 28.738 -0.102 0.000 0.909 86 Q HN 0.512 nan 8.270 nan 0.000 0.420 87 K N -1.344 118.900 120.400 -0.261 0.000 2.228 87 K HA -0.104 4.215 4.320 -0.001 0.000 0.202 87 K C 1.520 178.051 176.600 -0.115 0.000 1.051 87 K CA 0.826 56.961 56.287 -0.253 0.000 0.960 87 K CB 0.141 32.386 32.500 -0.427 0.000 0.743 87 K HN 0.273 nan 8.250 nan 0.000 0.458 88 W N -0.177 121.057 121.300 -0.110 0.000 2.630 88 W HA 0.146 4.805 4.660 -0.001 0.000 0.275 88 W C 0.543 177.005 176.519 -0.094 0.000 1.192 88 W CA 0.416 57.690 57.345 -0.119 0.000 1.410 88 W CB -0.113 29.257 29.460 -0.150 0.000 1.075 88 W HN 0.058 nan 8.180 nan 0.000 0.581 89 H N 0.482 119.599 119.070 0.078 0.000 3.162 89 H HA 0.116 4.672 4.556 -0.000 0.000 0.309 89 H C 1.221 176.517 175.328 -0.053 0.000 1.156 89 H CA 0.005 56.038 56.048 -0.027 0.000 1.586 89 H CB 1.156 30.844 29.762 -0.124 0.000 1.740 89 H HN -0.152 nan 8.280 nan 0.000 0.525 90 Q N 2.922 122.840 119.800 0.198 0.000 2.082 90 Q HA -0.241 4.099 4.340 -0.001 0.000 0.211 90 Q C 1.388 177.444 176.000 0.093 0.000 1.002 90 Q CA 1.950 57.821 55.803 0.114 0.000 0.868 90 Q CB 0.120 28.899 28.738 0.070 0.000 0.931 90 Q HN 0.548 nan 8.270 nan 0.000 0.414 91 R N -0.199 120.391 120.500 0.149 0.000 2.152 91 R HA -0.020 4.320 4.340 -0.001 0.000 0.232 91 R C 2.106 178.299 176.300 -0.180 0.000 1.117 91 R CA 1.191 57.266 56.100 -0.042 0.000 0.981 91 R CB -0.830 29.447 30.300 -0.039 0.000 0.870 91 R HN 0.514 nan 8.270 nan 0.000 0.451 92 A N 0.725 123.310 122.820 -0.392 0.000 2.067 92 A HA 0.140 4.460 4.320 -0.001 0.000 0.217 92 A C 2.301 179.858 177.584 -0.045 0.000 1.156 92 A CA 1.052 52.894 52.037 -0.325 0.000 0.683 92 A CB -0.222 18.284 19.000 -0.825 0.000 0.808 92 A HN 0.276 nan 8.150 nan 0.000 0.455 93 A N 0.795 123.596 122.820 -0.031 0.000 1.908 93 A HA -0.143 4.177 4.320 -0.001 0.000 0.218 93 A C 2.529 180.141 177.584 0.047 0.000 1.181 93 A CA 2.383 54.433 52.037 0.022 0.000 0.627 93 A CB -0.991 18.015 19.000 0.010 0.000 0.818 93 A HN 0.948 nan 8.150 nan 0.000 0.445 94 S N 0.276 116.001 115.700 0.043 0.000 2.368 94 S HA 0.001 4.471 4.470 -0.001 0.000 0.225 94 S C 2.136 176.753 174.600 0.028 0.000 1.030 94 S CA 1.442 59.661 58.200 0.031 0.000 0.999 94 S CB -0.811 62.408 63.200 0.031 0.000 0.844 94 S HN 0.940 nan 8.310 nan 0.000 0.459 95 A N 1.676 124.549 122.820 0.087 0.000 1.877 95 A HA 0.050 4.369 4.320 -0.001 0.000 0.216 95 A C 2.462 180.123 177.584 0.128 0.000 1.186 95 A CA 1.726 53.839 52.037 0.126 0.000 0.620 95 A CB -1.257 17.887 19.000 0.240 0.000 0.822 95 A HN 0.461 nan 8.150 nan 0.000 0.443 96 V N 1.041 121.058 119.914 0.172 0.000 2.332 96 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 96 V C 3.060 179.211 176.094 0.095 0.000 1.055 96 V CA 2.511 64.905 62.300 0.158 0.000 1.038 96 V CB -1.039 30.893 31.823 0.183 0.000 0.651 96 V HN 0.843 nan 8.190 nan 0.000 0.450 97 S N -0.514 115.225 115.700 0.065 0.000 2.368 97 S HA -0.256 4.214 4.470 -0.001 0.000 0.225 97 S C 2.031 176.634 174.600 0.004 0.000 1.030 97 S CA 1.880 60.109 58.200 0.049 0.000 0.999 97 S CB -0.546 62.681 63.200 0.045 0.000 0.844 97 S HN 0.479 nan 8.310 nan 0.000 0.459 98 M N 1.567 121.103 119.600 -0.107 0.000 2.082 98 M HA -0.109 4.370 4.480 -0.001 0.000 0.258 98 M C 2.711 178.995 176.300 -0.027 0.000 1.069 98 M CA 1.962 57.079 55.300 -0.305 0.000 1.102 98 M CB -0.696 31.668 32.600 -0.395 0.000 1.336 98 M HN 0.610 nan 8.290 nan 0.000 0.404 99 A N -0.094 122.760 122.820 0.056 0.000 1.929 99 A HA -0.069 4.251 4.320 -0.001 0.000 0.216 99 A C 1.993 179.638 177.584 0.101 0.000 1.176 99 A CA 1.091 53.193 52.037 0.108 0.000 0.628 99 A CB -0.805 18.236 19.000 0.068 0.000 0.816 99 A HN 0.474 nan 8.150 nan 0.000 0.444 100 L N -0.533 120.744 121.223 0.088 0.000 2.141 100 L HA -0.142 4.198 4.340 -0.001 0.000 0.209 100 L C 2.662 179.602 176.870 0.117 0.000 1.094 100 L CA 1.620 56.515 54.840 0.092 0.000 0.763 100 L CB -0.924 41.188 42.059 0.088 0.000 0.908 100 L HN 0.335 nan 8.230 nan 0.000 0.437 101 T N -1.028 113.614 114.554 0.147 0.000 2.777 101 T HA -0.218 4.131 4.350 -0.001 0.000 0.266 101 T C 1.777 176.583 174.700 0.176 0.000 1.040 101 T CA 1.323 63.543 62.100 0.201 0.000 1.141 101 T CB -0.085 68.973 68.868 0.317 0.000 0.868 101 T HN 0.353 nan 8.240 nan 0.000 0.444 102 E N 0.582 120.913 120.200 0.219 0.000 2.051 102 E HA -0.111 4.239 4.350 -0.001 0.000 0.192 102 E C 2.152 178.820 176.600 0.113 0.000 0.991 102 E CA 0.947 57.459 56.400 0.187 0.000 0.799 102 E CB -0.221 29.631 29.700 0.255 0.000 0.748 102 E HN 0.465 nan 8.360 nan 0.000 0.449 103 I N 0.841 121.473 120.570 0.104 0.000 2.163 103 I HA -0.317 3.853 4.170 -0.001 0.000 0.243 103 I C 2.570 178.720 176.117 0.055 0.000 1.085 103 I CA 1.181 62.523 61.300 0.070 0.000 1.347 103 I CB -0.378 37.657 38.000 0.058 0.000 1.044 103 I HN 0.193 nan 8.210 nan 0.000 0.408 104 A N 0.532 123.390 122.820 0.064 0.000 1.908 104 A HA -0.180 4.139 4.320 -0.001 0.000 0.218 104 A C 2.481 180.080 177.584 0.025 0.000 1.181 104 A CA 2.028 54.097 52.037 0.053 0.000 0.627 104 A CB -0.775 18.273 19.000 0.080 0.000 0.818 104 A HN 0.469 nan 8.150 nan 0.000 0.445 105 A N -0.552 122.272 122.820 0.007 0.000 1.930 105 A HA -0.029 4.290 4.320 -0.001 0.000 0.215 105 A C 2.092 179.659 177.584 -0.028 0.000 1.176 105 A CA 1.476 53.486 52.037 -0.045 0.000 0.632 105 A CB -0.302 18.632 19.000 -0.111 0.000 0.819 105 A HN 0.514 nan 8.150 nan 0.000 0.445 106 K N -0.077 120.323 120.400 -0.000 0.000 2.057 106 K HA -0.024 4.296 4.320 -0.001 0.000 0.206 106 K C 2.242 178.846 176.600 0.007 0.000 1.050 106 K CA 1.057 57.347 56.287 0.006 0.000 0.935 106 K CB -0.312 32.206 32.500 0.030 0.000 0.715 106 K HN 0.405 nan 8.250 nan 0.000 0.439 107 A N 1.288 124.117 122.820 0.014 0.000 2.024 107 A HA -0.109 4.211 4.320 -0.001 0.000 0.220 107 A C 2.142 179.730 177.584 0.007 0.000 1.164 107 A CA 1.899 53.944 52.037 0.014 0.000 0.643 107 A CB -0.415 18.597 19.000 0.020 0.000 0.806 107 A HN 0.341 nan 8.150 nan 0.000 0.451 108 A N -1.738 121.082 122.820 0.001 0.000 2.308 108 A HA 0.371 4.691 4.320 -0.001 0.000 0.217 108 A C 0.697 178.272 177.584 -0.015 0.000 1.216 108 A CA 0.988 53.023 52.037 -0.004 0.000 0.864 108 A CB -0.166 18.831 19.000 -0.004 0.000 0.902 108 A HN 0.542 nan 8.150 nan 0.000 0.499 109 D N -1.289 119.100 120.400 -0.018 0.000 2.746 109 D HA -0.162 4.477 4.640 -0.001 0.000 0.236 109 D C -0.077 176.200 176.300 -0.040 0.000 1.129 109 D CA 0.945 54.930 54.000 -0.024 0.000 0.691 109 D CB -1.940 38.851 40.800 -0.016 0.000 1.077 109 D HN 0.877 nan 8.370 nan 0.000 0.432 110 C N -1.424 117.841 119.300 -0.059 0.000 3.285 110 C HA 0.911 5.371 4.460 -0.001 0.000 0.320 110 C C 0.820 175.728 174.990 -0.137 0.000 1.411 110 C CA -0.143 58.822 59.018 -0.087 0.000 1.429 110 C CB 1.301 28.992 27.740 -0.081 0.000 1.812 110 C HN 0.529 nan 8.230 nan 0.000 0.454 111 S N 0.622 116.210 115.700 -0.187 0.000 2.624 111 S HA 0.399 4.868 4.470 -0.001 0.000 0.263 111 S C 0.908 175.257 174.600 -0.419 0.000 1.287 111 S CA 0.015 58.036 58.200 -0.298 0.000 0.990 111 S CB 0.752 63.757 63.200 -0.325 0.000 0.950 111 S HN 1.092 nan 8.310 nan 0.000 0.561 112 V N 0.419 119.943 119.914 -0.650 0.000 2.287 112 V HA -0.208 3.912 4.120 -0.001 0.000 0.248 112 V C 2.730 178.206 176.094 -1.030 0.000 1.053 112 V CA 2.105 63.868 62.300 -0.896 0.000 1.027 112 V CB -1.223 29.975 31.823 -1.042 0.000 0.646 112 V HN 1.088 nan 8.190 nan 0.000 0.447 113 C N -0.131 118.656 119.300 -0.855 0.000 2.413 113 C HA -0.165 4.294 4.460 -0.001 0.000 0.277 113 C C 2.643 177.527 174.990 -0.176 0.000 1.265 113 C CA 1.075 59.855 59.018 -0.398 0.000 1.752 113 C CB -1.117 26.481 27.740 -0.237 0.000 1.998 113 C HN 0.634 nan 8.230 nan 0.000 0.489 114 E N 0.293 120.365 120.200 -0.213 0.000 2.150 114 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 114 E C 1.970 178.532 176.600 -0.063 0.000 0.985 114 E CA 0.689 57.026 56.400 -0.105 0.000 0.814 114 E CB -0.252 29.382 29.700 -0.111 0.000 0.752 114 E HN 0.489 nan 8.360 nan 0.000 0.466 115 L N 0.276 121.412 121.223 -0.145 0.000 2.079 115 L HA -0.170 4.170 4.340 -0.001 0.000 0.210 115 L C 1.549 178.533 176.870 0.190 0.000 1.081 115 L CA 1.518 56.332 54.840 -0.044 0.000 0.752 115 L CB -0.292 41.672 42.059 -0.158 0.000 0.896 115 L HN 0.251 nan 8.230 nan 0.000 0.433 116 W N -0.237 121.076 121.300 0.021 0.000 2.800 116 W HA 0.360 5.020 4.660 -0.000 0.000 0.249 116 W C 1.724 178.263 176.519 0.032 0.000 1.294 116 W CA 0.700 58.074 57.345 0.047 0.000 1.402 116 W CB -0.826 28.680 29.460 0.076 0.000 1.126 116 W HN 0.415 nan 8.180 nan 0.000 0.652 117 G N -0.817 108.107 108.800 0.206 0.000 2.183 117 G HA2 0.228 4.188 3.960 -0.001 0.000 0.168 117 G HA3 0.228 4.188 3.960 -0.001 0.000 0.168 117 G C 0.488 175.406 174.900 0.030 0.000 1.008 117 G CA -0.295 44.863 45.100 0.097 0.000 0.677 117 G HN 0.810 nan 8.290 nan 0.000 0.498 118 G N -0.486 108.339 108.800 0.042 0.000 2.788 118 G HA2 0.388 4.348 3.960 -0.001 0.000 0.686 118 G HA3 0.388 4.348 3.960 -0.001 0.000 0.686 118 G C -0.075 174.808 174.900 -0.028 0.000 1.147 118 G CA 0.389 45.475 45.100 -0.023 0.000 0.755 118 G HN 1.642 nan 8.290 nan 0.000 0.634 119 R N 0.538 121.035 120.500 -0.005 0.000 2.577 119 R HA 0.618 4.958 4.340 -0.001 0.000 0.269 119 R C 0.241 176.541 176.300 -0.000 0.000 1.084 119 R CA -0.468 55.675 56.100 0.073 0.000 1.163 119 R CB 0.726 31.087 30.300 0.102 0.000 1.100 119 R HN 0.526 nan 8.270 nan 0.000 0.547 120 Y N -0.420 119.933 120.300 0.089 0.000 2.509 120 Y HA 0.178 4.727 4.550 -0.001 0.000 0.270 120 Y C 0.603 176.545 175.900 0.069 0.000 1.103 120 Y CA 0.309 58.450 58.100 0.068 0.000 1.278 120 Y CB 0.519 39.020 38.460 0.069 0.000 1.087 120 Y HN 0.592 nan 8.280 nan 0.000 0.542 121 R N -0.128 120.518 120.500 0.244 0.000 2.733 121 R HA 0.298 4.638 4.340 -0.001 0.000 0.272 121 R C -0.683 175.698 176.300 0.135 0.000 1.029 121 R CA -0.567 55.635 56.100 0.170 0.000 0.888 121 R CB 0.753 31.159 30.300 0.176 0.000 1.251 121 R HN 0.173 nan 8.270 nan 0.000 0.464 122 E N 0.117 120.375 120.200 0.097 0.000 2.583 122 E HA 0.255 4.605 4.350 -0.001 0.000 0.213 122 E C -0.765 175.844 176.600 0.014 0.000 0.989 122 E CA -0.388 56.063 56.400 0.086 0.000 0.991 122 E CB 0.826 30.586 29.700 0.099 0.000 1.040 122 E HN 0.570 nan 8.360 nan 0.000 0.481 123 E N 1.349 121.522 120.200 -0.044 0.000 2.246 123 E HA 0.370 4.719 4.350 -0.001 0.000 0.266 123 E C -1.109 175.434 176.600 -0.094 0.000 0.880 123 E CA -0.785 55.490 56.400 -0.207 0.000 0.762 123 E CB 1.961 31.496 29.700 -0.275 0.000 1.180 123 E HN 0.119 nan 8.360 nan 0.000 0.416 124 I N 4.031 124.542 120.570 -0.098 0.000 2.436 124 I HA 0.337 4.506 4.170 -0.001 0.000 0.289 124 I C -2.400 173.695 176.117 -0.036 0.000 1.010 124 I CA -2.836 58.457 61.300 -0.013 0.000 1.098 124 I CB 1.341 39.370 38.000 0.047 0.000 1.266 124 I HN 0.239 nan 8.210 nan 0.000 0.434 125 P HA 0.286 nan 4.420 nan 0.000 0.275 125 P C -0.669 176.679 177.300 0.079 0.000 1.228 125 P CA -0.114 62.996 63.100 0.017 0.000 0.786 125 P CB 1.446 33.175 31.700 0.048 0.000 0.927 126 V N 0.782 120.747 119.914 0.085 0.000 2.876 126 V HA 0.682 4.802 4.120 -0.001 0.000 0.312 126 V C -0.893 175.360 176.094 0.265 0.000 1.085 126 V CA -1.256 61.130 62.300 0.144 0.000 0.945 126 V CB 1.481 33.392 31.823 0.148 0.000 1.017 126 V HN 0.561 nan 8.190 nan 0.000 0.428 127 Y N 1.763 122.179 120.300 0.195 0.000 2.457 127 Y HA 0.920 5.469 4.550 -0.001 0.000 0.333 127 Y C 0.291 176.176 175.900 -0.026 0.000 1.119 127 Y CA -0.935 57.235 58.100 0.117 0.000 1.143 127 Y CB 1.360 39.820 38.460 0.001 0.000 1.230 127 Y HN 1.012 nan 8.280 nan 0.000 0.469 128 A N 2.436 125.154 122.820 -0.171 0.000 2.396 128 A HA 0.387 4.707 4.320 -0.001 0.000 0.279 128 A C 0.079 177.416 177.584 -0.412 0.000 1.165 128 A CA -0.216 51.386 52.037 -0.725 0.000 0.824 128 A CB -0.375 17.945 19.000 -1.134 0.000 1.100 128 A HN 0.724 nan 8.150 nan 0.000 0.516 129 S N 2.612 118.024 115.700 -0.480 0.000 2.433 129 S HA 0.722 5.192 4.470 -0.001 0.000 0.310 129 S C -0.870 173.484 174.600 -0.409 0.000 1.097 129 S CA -0.407 57.668 58.200 -0.209 0.000 1.103 129 S CB -0.172 62.955 63.200 -0.122 0.000 0.992 129 S HN 0.409 nan 8.310 nan 0.000 0.469 130 F N 2.426 122.324 119.950 -0.085 0.000 2.492 130 F HA 0.459 4.986 4.527 -0.001 0.000 0.327 130 F C 0.705 176.435 175.800 -0.117 0.000 1.079 130 F CA -0.831 57.097 58.000 -0.119 0.000 0.967 130 F CB 1.644 40.587 39.000 -0.095 0.000 1.169 130 F HN 0.332 nan 8.300 nan 0.000 0.472 131 Q N 1.801 121.621 119.800 0.034 0.000 2.571 131 Q HA 0.191 4.531 4.340 -0.001 0.000 0.222 131 Q C 0.453 176.497 176.000 0.073 0.000 1.167 131 Q CA -0.055 55.760 55.803 0.020 0.000 0.966 131 Q CB 1.182 29.953 28.738 0.055 0.000 1.274 131 Q HN 0.735 nan 8.270 nan 0.000 0.552 132 S N 0.810 116.499 115.700 -0.017 0.000 2.481 132 S HA -0.016 4.453 4.470 -0.001 0.000 0.231 132 S C 0.313 174.909 174.600 -0.006 0.000 0.996 132 S CA 0.470 58.673 58.200 0.005 0.000 0.942 132 S CB -0.034 63.170 63.200 0.007 0.000 0.768 132 S HN 0.433 nan 8.310 nan 0.000 0.520 133 Y N 2.973 123.283 120.300 0.017 0.000 2.346 133 Y HA 0.473 5.022 4.550 -0.001 0.000 0.330 133 Y C 0.941 176.994 175.900 0.254 0.000 1.178 133 Y CA -1.344 56.683 58.100 -0.122 0.000 1.331 133 Y CB 0.466 38.689 38.460 -0.394 0.000 1.253 133 Y HN 0.087 nan 8.280 nan 0.000 0.529 134 S N 0.192 116.183 115.700 0.485 0.000 2.627 134 S HA 0.334 4.803 4.470 -0.001 0.000 0.283 134 S C -0.996 173.705 174.600 0.168 0.000 1.127 134 S CA -1.119 57.327 58.200 0.411 0.000 0.863 134 S CB 1.928 65.310 63.200 0.304 0.000 1.121 134 S HN 0.535 nan 8.310 nan 0.000 0.479 135 D N 1.431 121.660 120.400 -0.284 0.000 2.619 135 D HA 0.439 5.078 4.640 -0.001 0.000 0.224 135 D C -0.565 175.669 176.300 -0.109 0.000 1.133 135 D CA 0.439 54.158 54.000 -0.467 0.000 1.017 135 D CB -0.473 39.842 40.800 -0.808 0.000 1.077 135 D HN 0.651 nan 8.370 nan 0.000 0.503 136 S N 2.012 117.750 115.700 0.063 0.000 2.579 136 S HA 0.298 4.767 4.470 -0.001 0.000 0.290 136 S C -2.387 172.367 174.600 0.256 0.000 1.123 136 S CA -0.915 57.361 58.200 0.127 0.000 0.894 136 S CB 1.704 64.976 63.200 0.120 0.000 1.095 136 S HN -0.031 nan 8.310 nan 0.000 0.450 137 P HA -0.064 nan 4.420 nan 0.000 0.221 137 P C 0.462 177.855 177.300 0.154 0.000 1.145 137 P CA 1.168 64.390 63.100 0.204 0.000 0.795 137 P CB 0.023 31.788 31.700 0.108 0.000 0.775 138 Q N -0.711 119.157 119.800 0.113 0.000 2.217 138 Q HA 0.043 4.383 4.340 -0.001 0.000 0.226 138 Q C 1.479 177.492 176.000 0.020 0.000 0.875 138 Q CA -0.106 55.708 55.803 0.018 0.000 0.974 138 Q CB -0.880 27.868 28.738 0.017 0.000 1.079 138 Q HN 0.526 nan 8.270 nan 0.000 0.463 139 W N -0.911 120.404 121.300 0.026 0.000 2.402 139 W HA -0.102 4.558 4.660 -0.000 0.000 0.286 139 W C 0.684 177.187 176.519 -0.027 0.000 1.221 139 W CA 0.515 57.876 57.345 0.027 0.000 1.257 139 W CB -0.670 28.838 29.460 0.081 0.000 1.120 139 W HN 0.180 nan 8.180 nan 0.000 0.551 140 I N 2.582 122.508 120.570 -1.073 0.000 2.226 140 I HA -0.327 3.843 4.170 -0.001 0.000 0.245 140 I C 2.926 178.839 176.117 -0.339 0.000 1.100 140 I CA 2.388 63.128 61.300 -0.933 0.000 1.374 140 I CB -0.578 36.849 38.000 -0.955 0.000 1.057 140 I HN -0.015 nan 8.210 nan 0.000 0.413 141 S N 0.851 116.412 115.700 -0.231 0.000 2.387 141 S HA -0.110 4.360 4.470 -0.001 0.000 0.226 141 S C 2.042 176.615 174.600 -0.046 0.000 1.026 141 S CA 0.492 58.627 58.200 -0.109 0.000 0.972 141 S CB -0.484 62.667 63.200 -0.081 0.000 0.814 141 S HN 0.368 nan 8.310 nan 0.000 0.477 142 R N 1.286 121.781 120.500 -0.007 0.000 2.091 142 R HA -0.053 4.287 4.340 -0.001 0.000 0.238 142 R C 2.775 179.102 176.300 0.045 0.000 1.136 142 R CA 1.412 57.541 56.100 0.048 0.000 0.959 142 R CB -0.765 29.600 30.300 0.109 0.000 0.856 142 R HN 0.522 nan 8.270 nan 0.000 0.437 143 S N 0.419 116.142 115.700 0.037 0.000 2.351 143 S HA -0.136 4.334 4.470 -0.001 0.000 0.220 143 S C 2.096 176.655 174.600 -0.068 0.000 1.035 143 S CA 1.577 59.792 58.200 0.024 0.000 1.031 143 S CB -0.239 63.022 63.200 0.102 0.000 0.928 143 S HN 0.135 nan 8.310 nan 0.000 0.433 144 V N 2.329 122.210 119.914 -0.055 0.000 2.278 144 V HA -0.206 3.914 4.120 -0.001 0.000 0.251 144 V C 2.745 178.796 176.094 -0.071 0.000 1.062 144 V CA 2.373 64.624 62.300 -0.082 0.000 1.038 144 V CB -1.277 30.510 31.823 -0.060 0.000 0.646 144 V HN 0.769 nan 8.190 nan 0.000 0.447 145 S N -0.111 115.570 115.700 -0.032 0.000 2.436 145 S HA -0.127 4.342 4.470 -0.001 0.000 0.228 145 S C 1.763 176.373 174.600 0.016 0.000 1.014 145 S CA 1.079 59.276 58.200 -0.005 0.000 0.950 145 S CB -0.560 62.647 63.200 0.012 0.000 0.784 145 S HN 0.559 nan 8.310 nan 0.000 0.504 146 N N 2.035 120.747 118.700 0.021 0.000 2.069 146 N HA -0.035 4.705 4.740 -0.001 0.000 0.191 146 N C 1.733 177.302 175.510 0.099 0.000 1.031 146 N CA 1.281 54.389 53.050 0.097 0.000 0.852 146 N CB -0.923 37.646 38.487 0.136 0.000 1.018 146 N HN 0.309 nan 8.380 nan 0.000 0.423 147 V N 1.499 121.296 119.914 -0.194 0.000 2.261 147 V HA -0.222 3.898 4.120 -0.001 0.000 0.246 147 V C 2.072 178.155 176.094 -0.018 0.000 1.047 147 V CA 1.586 63.708 62.300 -0.297 0.000 1.015 147 V CB -0.564 30.933 31.823 -0.543 0.000 0.642 147 V HN 0.329 nan 8.190 nan 0.000 0.446 148 E N 0.237 120.420 120.200 -0.029 0.000 2.086 148 E HA -0.333 4.017 4.350 -0.001 0.000 0.205 148 E C 2.299 178.936 176.600 0.060 0.000 1.027 148 E CA 1.741 58.148 56.400 0.012 0.000 0.830 148 E CB -0.452 29.248 29.700 0.001 0.000 0.751 148 E HN 0.602 nan 8.360 nan 0.000 0.456 149 A N 0.922 123.790 122.820 0.079 0.000 1.948 149 A HA -0.256 4.064 4.320 -0.001 0.000 0.220 149 A C 2.078 179.750 177.584 0.147 0.000 1.177 149 A CA 1.488 53.586 52.037 0.102 0.000 0.636 149 A CB -0.334 18.727 19.000 0.101 0.000 0.815 149 A HN 0.164 nan 8.150 nan 0.000 0.449 150 Q N -0.414 119.514 119.800 0.213 0.000 2.137 150 Q HA 0.059 4.398 4.340 -0.001 0.000 0.198 150 Q C 2.160 178.351 176.000 0.319 0.000 0.960 150 Q CA 0.816 56.794 55.803 0.291 0.000 0.847 150 Q CB -0.452 28.443 28.738 0.262 0.000 0.915 150 Q HN 0.730 nan 8.270 nan 0.000 0.448 151 L N 0.640 121.989 121.223 0.210 0.000 2.127 151 L HA -0.199 4.141 4.340 -0.001 0.000 0.211 151 L C 2.313 179.247 176.870 0.106 0.000 1.089 151 L CA 1.206 56.137 54.840 0.151 0.000 0.757 151 L CB -0.396 41.708 42.059 0.074 0.000 0.899 151 L HN 0.176 nan 8.230 nan 0.000 0.434 152 K N 0.339 120.793 120.400 0.090 0.000 2.209 152 K HA -0.148 4.171 4.320 -0.001 0.000 0.204 152 K C 1.631 178.254 176.600 0.039 0.000 1.048 152 K CA 1.067 57.386 56.287 0.053 0.000 0.940 152 K CB 0.043 32.572 32.500 0.048 0.000 0.729 152 K HN 0.312 nan 8.250 nan 0.000 0.451 153 K N -0.448 119.995 120.400 0.073 0.000 2.458 153 K HA 0.057 4.377 4.320 -0.001 0.000 0.194 153 K C 0.656 177.189 176.600 -0.111 0.000 1.024 153 K CA 0.532 56.814 56.287 -0.007 0.000 1.108 153 K CB 0.656 33.170 32.500 0.025 0.000 0.846 153 K HN 0.296 nan 8.250 nan 0.000 0.518 154 G N 1.672 110.446 108.800 -0.043 0.000 2.143 154 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.248 154 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.248 154 G C -0.128 174.705 174.900 -0.111 0.000 0.991 154 G CA -0.450 44.601 45.100 -0.082 0.000 0.689 154 G HN 0.213 nan 8.290 nan 0.000 0.522 155 F N 0.747 120.685 119.950 -0.019 0.000 2.538 155 F HA 0.374 4.901 4.527 -0.000 0.000 0.371 155 F C 1.581 177.384 175.800 0.005 0.000 1.087 155 F CA 0.589 58.585 58.000 -0.007 0.000 1.250 155 F CB 0.763 39.776 39.000 0.022 0.000 1.110 155 F HN 0.191 nan 8.300 nan 0.000 0.570 156 E N 1.247 121.546 120.200 0.166 0.000 2.476 156 E HA 0.074 4.424 4.350 -0.001 0.000 0.199 156 E C -0.322 176.331 176.600 0.089 0.000 1.021 156 E CA 0.176 56.632 56.400 0.094 0.000 0.907 156 E CB 0.423 30.151 29.700 0.046 0.000 0.974 156 E HN 0.650 nan 8.360 nan 0.000 0.489 157 Q N 0.694 120.583 119.800 0.149 0.000 2.421 157 Q HA 0.583 4.923 4.340 -0.001 0.000 0.280 157 Q C -0.697 175.373 176.000 0.117 0.000 1.085 157 Q CA -0.714 55.135 55.803 0.076 0.000 0.807 157 Q CB 2.879 31.643 28.738 0.043 0.000 1.405 157 Q HN 0.077 nan 8.270 nan 0.000 0.419 158 I N -2.419 118.152 120.570 0.001 0.000 2.994 158 I HA 0.699 4.869 4.170 -0.001 0.000 0.306 158 I C -1.566 174.494 176.117 -0.095 0.000 1.195 158 I CA -1.094 60.253 61.300 0.078 0.000 1.001 158 I CB 2.592 40.686 38.000 0.157 0.000 1.244 158 I HN 0.444 nan 8.210 nan 0.000 0.437 159 K N 4.183 124.618 120.400 0.058 0.000 2.413 159 K HA 0.719 5.039 4.320 -0.001 0.000 0.257 159 K C -1.135 175.526 176.600 0.102 0.000 0.946 159 K CA -0.636 55.609 56.287 -0.070 0.000 0.823 159 K CB 1.999 34.481 32.500 -0.029 0.000 1.109 159 K HN 0.699 nan 8.250 nan 0.000 0.427 160 V N 0.078 119.967 119.914 -0.042 0.000 3.113 160 V HA 0.664 4.783 4.120 -0.001 0.000 0.316 160 V C -1.055 174.990 176.094 -0.080 0.000 1.125 160 V CA -1.090 61.191 62.300 -0.031 0.000 1.026 160 V CB 1.787 33.523 31.823 -0.145 0.000 1.080 160 V HN 0.556 nan 8.190 nan 0.000 0.444 161 K N 2.151 122.485 120.400 -0.109 0.000 2.123 161 K HA 0.750 5.070 4.320 -0.001 0.000 0.259 161 K C -0.441 176.063 176.600 -0.160 0.000 0.960 161 K CA -0.252 55.919 56.287 -0.193 0.000 0.872 161 K CB 2.081 34.354 32.500 -0.377 0.000 1.079 161 K HN 0.964 nan 8.250 nan 0.000 0.440 162 I N -4.379 116.159 120.570 -0.054 0.000 3.343 162 I HA 0.686 4.856 4.170 -0.001 0.000 0.315 162 I C 0.679 176.890 176.117 0.158 0.000 1.153 162 I CA -0.836 60.548 61.300 0.139 0.000 0.952 162 I CB 2.022 40.046 38.000 0.040 0.000 1.287 162 I HN 0.617 nan 8.210 nan 0.000 0.472 163 G N 0.505 109.465 108.800 0.266 0.000 2.159 163 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.256 163 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.256 163 G C 0.803 175.733 174.900 0.050 0.000 0.977 163 G CA 0.469 45.581 45.100 0.020 0.000 0.652 163 G HN 1.399 nan 8.290 nan 0.000 0.531 164 G N -1.464 107.410 108.800 0.124 0.000 2.744 164 G HA2 0.441 4.401 3.960 -0.001 0.000 0.211 164 G HA3 0.441 4.401 3.960 -0.001 0.000 0.211 164 G C 0.559 175.270 174.900 -0.315 0.000 1.146 164 G CA 1.832 46.801 45.100 -0.219 0.000 0.787 164 G HN 1.092 nan 8.290 nan 0.000 0.534 165 T N -0.750 113.745 114.554 -0.099 0.000 2.787 165 T HA 0.463 4.813 4.350 -0.001 0.000 0.297 165 T C 0.159 174.945 174.700 0.143 0.000 1.221 165 T CA 0.281 62.358 62.100 -0.038 0.000 1.006 165 T CB 1.106 69.921 68.868 -0.087 0.000 1.328 165 T HN 0.411 nan 8.240 nan 0.000 0.509 166 S N 1.281 117.064 115.700 0.138 0.000 2.553 166 S HA 0.012 4.481 4.470 -0.001 0.000 0.293 166 S C 1.207 175.963 174.600 0.261 0.000 1.296 166 S CA 0.023 58.335 58.200 0.186 0.000 1.046 166 S CB -0.233 63.048 63.200 0.135 0.000 0.810 166 S HN 0.660 nan 8.310 nan 0.000 0.505 167 F N 3.097 123.109 119.950 0.103 0.000 2.063 167 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 167 F C 2.290 178.056 175.800 -0.057 0.000 1.109 167 F CA 2.315 60.315 58.000 0.001 0.000 1.212 167 F CB -0.597 38.306 39.000 -0.162 0.000 0.973 167 F HN 0.777 nan 8.300 nan 0.000 0.480 168 K N -0.220 120.183 120.400 0.005 0.000 2.089 168 K HA -0.292 4.028 4.320 -0.001 0.000 0.210 168 K C 2.219 178.764 176.600 -0.092 0.000 1.048 168 K CA 2.115 58.341 56.287 -0.102 0.000 0.926 168 K CB -0.386 32.129 32.500 0.026 0.000 0.714 168 K HN 0.477 nan 8.250 nan 0.000 0.448 169 E N 0.368 120.597 120.200 0.049 0.000 2.158 169 E HA -0.152 4.198 4.350 -0.001 0.000 0.191 169 E C 1.365 178.111 176.600 0.243 0.000 0.982 169 E CA 0.786 57.276 56.400 0.149 0.000 0.823 169 E CB 0.237 30.083 29.700 0.245 0.000 0.766 169 E HN 0.205 nan 8.360 nan 0.000 0.468 170 D N 0.188 120.747 120.400 0.266 0.000 2.097 170 D HA -0.144 4.496 4.640 -0.001 0.000 0.195 170 D C 2.066 178.514 176.300 0.245 0.000 0.989 170 D CA 0.911 55.171 54.000 0.433 0.000 0.827 170 D CB -0.169 41.001 40.800 0.616 0.000 0.966 170 D HN 0.081 nan 8.370 nan 0.000 0.456 171 V N 1.281 121.058 119.914 -0.229 0.000 2.282 171 V HA -0.286 3.833 4.120 -0.001 0.000 0.249 171 V C 2.594 178.583 176.094 -0.176 0.000 1.057 171 V CA 1.665 63.688 62.300 -0.462 0.000 1.032 171 V CB -0.399 30.811 31.823 -1.021 0.000 0.645 171 V HN 0.167 nan 8.190 nan 0.000 0.447 172 R N -1.122 119.319 120.500 -0.100 0.000 2.080 172 R HA -0.212 4.128 4.340 -0.001 0.000 0.236 172 R C 2.415 178.706 176.300 -0.015 0.000 1.137 172 R CA 2.101 58.168 56.100 -0.054 0.000 0.943 172 R CB -0.641 29.633 30.300 -0.044 0.000 0.846 172 R HN 0.736 nan 8.270 nan 0.000 0.431 173 H N 0.153 119.172 119.070 -0.085 0.000 2.290 173 H HA -0.149 4.407 4.556 -0.001 0.000 0.298 173 H C 1.944 177.227 175.328 -0.074 0.000 1.087 173 H CA 1.687 57.658 56.048 -0.129 0.000 1.291 173 H CB 0.197 29.967 29.762 0.013 0.000 1.369 173 H HN 0.066 nan 8.280 nan 0.000 0.492 174 I N 1.742 122.204 120.570 -0.179 0.000 2.226 174 I HA -0.249 3.920 4.170 -0.001 0.000 0.245 174 I C 2.149 178.142 176.117 -0.207 0.000 1.100 174 I CA 0.901 62.032 61.300 -0.282 0.000 1.374 174 I CB -1.394 36.585 38.000 -0.036 0.000 1.057 174 I HN 0.373 nan 8.210 nan 0.000 0.413 175 N N 1.133 119.802 118.700 -0.053 0.000 2.166 175 N HA -0.105 4.634 4.740 -0.001 0.000 0.186 175 N C 1.895 177.392 175.510 -0.022 0.000 1.019 175 N CA 1.569 54.633 53.050 0.023 0.000 0.856 175 N CB -0.109 38.405 38.487 0.046 0.000 0.993 175 N HN 0.387 nan 8.380 nan 0.000 0.426 176 A N 0.796 123.576 122.820 -0.068 0.000 1.929 176 A HA 0.004 4.324 4.320 -0.001 0.000 0.216 176 A C 2.384 179.927 177.584 -0.069 0.000 1.176 176 A CA 0.708 52.711 52.037 -0.056 0.000 0.628 176 A CB -0.533 18.424 19.000 -0.073 0.000 0.816 176 A HN 0.197 nan 8.150 nan 0.000 0.444 177 L N -0.765 120.355 121.223 -0.172 0.000 2.056 177 L HA -0.194 4.145 4.340 -0.001 0.000 0.207 177 L C 2.895 179.647 176.870 -0.196 0.000 1.078 177 L CA 1.056 55.763 54.840 -0.222 0.000 0.749 177 L CB -0.570 41.268 42.059 -0.369 0.000 0.901 177 L HN 0.401 nan 8.230 nan 0.000 0.433 178 Q N -0.599 119.067 119.800 -0.224 0.000 2.096 178 Q HA -0.283 4.057 4.340 -0.001 0.000 0.204 178 Q C 2.150 178.105 176.000 -0.076 0.000 0.982 178 Q CA 1.669 57.348 55.803 -0.206 0.000 0.850 178 Q CB -0.621 27.962 28.738 -0.257 0.000 0.901 178 Q HN 0.606 nan 8.270 nan 0.000 0.422 179 H N -0.022 118.994 119.070 -0.089 0.000 2.421 179 H HA -0.056 4.500 4.556 -0.001 0.000 0.298 179 H C 1.258 176.551 175.328 -0.059 0.000 1.087 179 H CA 1.666 57.684 56.048 -0.051 0.000 1.330 179 H CB 0.582 30.322 29.762 -0.036 0.000 1.388 179 H HN 0.179 nan 8.280 nan 0.000 0.526 180 T N -0.079 114.445 114.554 -0.051 0.000 2.937 180 T HA 0.105 4.454 4.350 -0.001 0.000 0.260 180 T C 2.137 176.767 174.700 -0.116 0.000 1.051 180 T CA 0.817 62.865 62.100 -0.087 0.000 1.141 180 T CB -0.157 68.681 68.868 -0.049 0.000 0.879 180 T HN 0.443 nan 8.240 nan 0.000 0.459 181 A N 0.664 123.410 122.820 -0.124 0.000 1.911 181 A HA 0.568 4.888 4.320 -0.001 0.000 0.212 181 A C 1.458 178.977 177.584 -0.109 0.000 1.189 181 A CA 0.947 52.915 52.037 -0.115 0.000 0.639 181 A CB -0.906 18.009 19.000 -0.140 0.000 0.839 181 A HN 0.814 nan 8.150 nan 0.000 0.449 182 G N -1.150 107.576 108.800 -0.124 0.000 2.829 182 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.628 182 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.628 182 G C 0.680 175.532 174.900 -0.080 0.000 1.412 182 G CA 0.512 45.553 45.100 -0.098 0.000 0.864 182 G HN 1.473 nan 8.290 nan 0.000 0.544 183 S N -1.118 114.553 115.700 -0.048 0.000 2.507 183 S HA -0.005 4.464 4.470 -0.001 0.000 0.235 183 S C 2.383 176.966 174.600 -0.027 0.000 0.988 183 S CA 1.960 60.144 58.200 -0.028 0.000 0.944 183 S CB -0.191 63.014 63.200 0.009 0.000 0.762 183 S HN 2.263 nan 8.310 nan 0.000 0.526 184 S N 0.611 116.292 115.700 -0.030 0.000 2.528 184 S HA 0.283 4.753 4.470 -0.001 0.000 0.219 184 S C 0.591 175.176 174.600 -0.024 0.000 0.985 184 S CA -0.472 57.716 58.200 -0.019 0.000 0.914 184 S CB -0.427 62.764 63.200 -0.014 0.000 0.776 184 S HN 0.372 nan 8.310 nan 0.000 0.526 185 I N 3.131 123.675 120.570 -0.044 0.000 2.395 185 I HA 0.308 4.478 4.170 -0.001 0.000 0.289 185 I C 0.180 176.251 176.117 -0.078 0.000 1.023 185 I CA -0.067 61.205 61.300 -0.047 0.000 1.350 185 I CB 0.759 38.725 38.000 -0.056 0.000 1.409 185 I HN 0.084 nan 8.210 nan 0.000 0.507 186 T N 7.744 122.254 114.554 -0.073 0.000 2.817 186 T HA 0.421 4.770 4.350 -0.001 0.000 0.293 186 T C 0.052 174.635 174.700 -0.195 0.000 0.964 186 T CA -0.326 61.702 62.100 -0.121 0.000 1.085 186 T CB 0.812 69.618 68.868 -0.103 0.000 0.921 186 T HN 0.456 nan 8.240 nan 0.000 0.502 187 M N 4.424 123.873 119.600 -0.252 0.000 2.181 187 M HA 0.537 5.017 4.480 -0.001 0.000 0.323 187 M C -1.451 174.600 176.300 -0.416 0.000 1.004 187 M CA -0.684 54.428 55.300 -0.314 0.000 0.941 187 M CB 0.713 33.119 32.600 -0.323 0.000 1.579 187 M HN 0.525 nan 8.290 nan 0.000 0.427 188 I N 5.574 125.821 120.570 -0.537 0.000 2.359 188 I HA 0.361 4.530 4.170 -0.001 0.000 0.294 188 I C -0.878 174.976 176.117 -0.438 0.000 0.987 188 I CA -0.610 60.258 61.300 -0.721 0.000 1.225 188 I CB 1.417 38.671 38.000 -1.243 0.000 1.366 188 I HN 0.577 nan 8.210 nan 0.000 0.466 189 L N 5.351 126.374 121.223 -0.333 0.000 2.280 189 L HA 0.401 4.741 4.340 -0.001 0.000 0.287 189 L C -0.752 176.041 176.870 -0.129 0.000 1.023 189 L CA -0.469 54.239 54.840 -0.221 0.000 0.819 189 L CB 1.331 43.260 42.059 -0.216 0.000 1.212 189 L HN 0.536 nan 8.230 nan 0.000 0.420 190 D N 2.576 122.919 120.400 -0.095 0.000 2.392 190 D HA 0.394 5.034 4.640 -0.001 0.000 0.228 190 D C 0.467 176.747 176.300 -0.033 0.000 1.074 190 D CA -0.304 53.693 54.000 -0.005 0.000 0.838 190 D CB 2.151 42.968 40.800 0.028 0.000 1.067 190 D HN 0.582 nan 8.370 nan 0.000 0.511 191 A N 3.787 126.590 122.820 -0.028 0.000 2.238 191 A HA 0.076 4.396 4.320 -0.001 0.000 0.210 191 A C 0.801 178.309 177.584 -0.127 0.000 1.179 191 A CA -0.112 51.837 52.037 -0.147 0.000 0.827 191 A CB -0.656 18.206 19.000 -0.229 0.000 0.856 191 A HN 0.771 nan 8.150 nan 0.000 0.488 192 N N 0.475 119.168 118.700 -0.012 0.000 2.699 192 N HA -0.241 4.498 4.740 -0.001 0.000 0.256 192 N C -0.206 175.305 175.510 0.002 0.000 0.993 192 N CA 0.921 53.981 53.050 0.017 0.000 0.759 192 N CB -1.399 37.084 38.487 -0.007 0.000 0.906 192 N HN 0.665 nan 8.380 nan 0.000 0.541 193 Q N -2.749 117.070 119.800 0.033 0.000 2.494 193 Q HA -0.310 4.029 4.340 -0.001 0.000 0.272 193 Q C 0.884 176.865 176.000 -0.032 0.000 1.145 193 Q CA 0.913 56.743 55.803 0.045 0.000 0.943 193 Q CB -1.686 27.116 28.738 0.107 0.000 1.338 193 Q HN 0.607 nan 8.270 nan 0.000 0.492 194 S N -1.168 114.428 115.700 -0.173 0.000 2.446 194 S HA 0.016 4.486 4.470 -0.001 0.000 0.225 194 S C 0.306 174.873 174.600 -0.056 0.000 1.016 194 S CA 0.339 58.413 58.200 -0.210 0.000 0.943 194 S CB 0.257 63.219 63.200 -0.398 0.000 0.786 194 S HN 0.392 nan 8.310 nan 0.000 0.508 195 Y N 2.300 122.640 120.300 0.066 0.000 2.488 195 Y HA 0.495 5.045 4.550 -0.001 0.000 0.325 195 Y C 0.356 176.264 175.900 0.012 0.000 1.204 195 Y CA -2.337 55.799 58.100 0.059 0.000 1.229 195 Y CB 0.421 38.936 38.460 0.092 0.000 1.274 195 Y HN 0.266 nan 8.280 nan 0.000 0.493 196 D N -0.662 119.861 120.400 0.205 0.000 2.487 196 D HA 0.496 5.136 4.640 -0.001 0.000 0.262 196 D C 0.834 177.161 176.300 0.046 0.000 1.130 196 D CA -0.410 53.636 54.000 0.077 0.000 1.038 196 D CB 0.560 41.382 40.800 0.037 0.000 1.142 196 D HN 0.520 nan 8.370 nan 0.000 0.575 197 A N 0.016 122.827 122.820 -0.014 0.000 1.908 197 A HA -0.010 4.310 4.320 -0.001 0.000 0.218 197 A C 2.148 179.742 177.584 0.016 0.000 1.181 197 A CA 2.656 54.680 52.037 -0.022 0.000 0.627 197 A CB -1.454 17.507 19.000 -0.064 0.000 0.818 197 A HN 0.690 nan 8.150 nan 0.000 0.445 198 A N -0.289 122.522 122.820 -0.015 0.000 1.902 198 A HA 0.153 4.473 4.320 -0.001 0.000 0.217 198 A C 2.491 180.048 177.584 -0.044 0.000 1.181 198 A CA 2.133 54.162 52.037 -0.013 0.000 0.623 198 A CB -0.954 18.019 19.000 -0.045 0.000 0.818 198 A HN 1.076 nan 8.150 nan 0.000 0.443 199 A N -0.301 122.459 122.820 -0.101 0.000 1.930 199 A HA 0.230 4.550 4.320 -0.001 0.000 0.217 199 A C 2.476 179.777 177.584 -0.472 0.000 1.175 199 A CA 1.882 53.745 52.037 -0.290 0.000 0.627 199 A CB -0.895 17.989 19.000 -0.194 0.000 0.815 199 A HN 0.984 nan 8.150 nan 0.000 0.443 200 A N -1.243 121.440 122.820 -0.228 0.000 1.898 200 A HA -0.027 4.293 4.320 -0.001 0.000 0.216 200 A C 1.997 179.670 177.584 0.149 0.000 1.181 200 A CA 1.475 53.506 52.037 -0.011 0.000 0.620 200 A CB -0.750 18.360 19.000 0.183 0.000 0.819 200 A HN 0.591 nan 8.150 nan 0.000 0.442 201 F N 0.955 120.883 119.950 -0.035 0.000 2.250 201 F HA -0.171 4.356 4.527 -0.000 0.000 0.301 201 F C 2.036 177.758 175.800 -0.131 0.000 1.077 201 F CA 1.844 59.824 58.000 -0.032 0.000 1.348 201 F CB -0.154 38.811 39.000 -0.059 0.000 1.040 201 F HN 0.161 nan 8.300 nan 0.000 0.509 202 K N -1.045 119.154 120.400 -0.334 0.000 2.160 202 K HA -0.257 4.063 4.320 -0.001 0.000 0.206 202 K C 1.769 178.009 176.600 -0.601 0.000 1.047 202 K CA 2.003 57.864 56.287 -0.708 0.000 0.930 202 K CB -0.554 31.162 32.500 -1.306 0.000 0.720 202 K HN 0.399 nan 8.250 nan 0.000 0.450 203 W N 1.180 122.276 121.300 -0.340 0.000 2.425 203 W HA -0.120 4.539 4.660 -0.001 0.000 0.277 203 W C 2.103 178.101 176.519 -0.869 0.000 1.231 203 W CA 0.666 57.744 57.345 -0.444 0.000 1.248 203 W CB -0.144 28.920 29.460 -0.660 0.000 1.117 203 W HN 0.140 nan 8.180 nan 0.000 0.568 204 E N 1.576 121.431 120.200 -0.574 0.000 2.171 204 E HA -0.264 4.086 4.350 -0.001 0.000 0.197 204 E C 2.101 178.470 176.600 -0.384 0.000 0.997 204 E CA 1.866 57.990 56.400 -0.460 0.000 0.810 204 E CB -0.261 28.911 29.700 -0.880 0.000 0.738 204 E HN 0.435 nan 8.360 nan 0.000 0.467 205 R N -1.295 118.925 120.500 -0.467 0.000 2.189 205 R HA -0.112 4.227 4.340 -0.001 0.000 0.218 205 R C 1.466 177.361 176.300 -0.674 0.000 1.074 205 R CA 1.336 57.143 56.100 -0.487 0.000 0.991 205 R CB -0.511 29.495 30.300 -0.490 0.000 0.883 205 R HN 0.227 nan 8.270 nan 0.000 0.457 206 Y N -0.360 119.622 120.300 -0.530 0.000 2.301 206 Y HA 0.110 4.659 4.550 -0.001 0.000 0.295 206 Y C 1.715 177.202 175.900 -0.689 0.000 1.119 206 Y CA 0.442 58.003 58.100 -0.899 0.000 1.162 206 Y CB -0.130 37.591 38.460 -1.232 0.000 1.046 206 Y HN -0.111 nan 8.280 nan 0.000 0.538 207 F N -0.371 119.516 119.950 -0.104 0.000 2.250 207 F HA -0.207 4.320 4.527 -0.001 0.000 0.301 207 F C 2.481 178.283 175.800 0.004 0.000 1.077 207 F CA 0.899 58.949 58.000 0.084 0.000 1.348 207 F CB -1.358 37.722 39.000 0.134 0.000 1.040 207 F HN -0.058 nan 8.300 nan 0.000 0.509 208 S N -0.481 115.261 115.700 0.069 0.000 2.356 208 S HA -0.151 4.318 4.470 -0.001 0.000 0.223 208 S C 2.078 176.678 174.600 0.001 0.000 1.032 208 S CA 1.341 59.544 58.200 0.006 0.000 1.005 208 S CB -0.054 63.086 63.200 -0.099 0.000 0.867 208 S HN 0.372 nan 8.310 nan 0.000 0.449 209 E N -0.545 119.599 120.200 -0.094 0.000 2.060 209 E HA -0.017 4.333 4.350 -0.001 0.000 0.189 209 E C 0.230 176.899 176.600 0.115 0.000 0.974 209 E CA 0.247 56.609 56.400 -0.063 0.000 0.808 209 E CB -0.140 29.439 29.700 -0.201 0.000 0.768 209 E HN 0.440 nan 8.360 nan 0.000 0.453 210 W N 1.641 123.030 121.300 0.149 0.000 2.123 210 W HA 0.012 4.671 4.660 -0.001 0.000 0.351 210 W C 1.591 178.170 176.519 0.100 0.000 1.292 210 W CA 0.585 58.012 57.345 0.136 0.000 1.263 210 W CB -0.055 29.520 29.460 0.190 0.000 1.165 210 W HN 0.025 nan 8.180 nan 0.000 0.590 211 T N -2.331 112.405 114.554 0.304 0.000 3.058 211 T HA -0.031 4.319 4.350 -0.001 0.000 0.278 211 T C 0.404 175.168 174.700 0.105 0.000 0.974 211 T CA -0.141 62.059 62.100 0.168 0.000 0.893 211 T CB -0.250 68.692 68.868 0.122 0.000 1.138 211 T HN 0.364 nan 8.240 nan 0.000 0.529 212 N N 1.228 119.979 118.700 0.086 0.000 2.235 212 N HA 0.172 4.911 4.740 -0.001 0.000 0.231 212 N C -0.295 175.181 175.510 -0.056 0.000 1.177 212 N CA -0.556 52.490 53.050 -0.006 0.000 0.874 212 N CB 0.054 38.506 38.487 -0.057 0.000 1.097 212 N HN 0.307 nan 8.380 nan 0.000 0.518 213 I N 1.284 121.852 120.570 -0.003 0.000 2.396 213 I HA 0.240 4.410 4.170 -0.001 0.000 0.289 213 I C 1.637 177.682 176.117 -0.120 0.000 1.056 213 I CA -0.149 61.103 61.300 -0.081 0.000 1.365 213 I CB 0.662 38.653 38.000 -0.016 0.000 1.407 213 I HN 0.165 nan 8.210 nan 0.000 0.509 214 G N 6.702 115.372 108.800 -0.215 0.000 2.395 214 G HA2 -0.004 3.956 3.960 -0.001 0.000 0.214 214 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.214 214 G C -0.043 174.884 174.900 0.045 0.000 1.177 214 G CA 0.408 45.410 45.100 -0.162 0.000 0.794 214 G HN 0.748 nan 8.290 nan 0.000 0.532 215 W N -2.522 118.664 121.300 -0.190 0.000 3.064 215 W HA 0.615 5.275 4.660 -0.000 0.000 0.328 215 W C -2.186 174.227 176.519 -0.177 0.000 1.210 215 W CA -1.667 55.566 57.345 -0.186 0.000 1.178 215 W CB 0.418 29.796 29.460 -0.137 0.000 1.416 215 W HN 0.126 nan 8.180 nan 0.000 0.568 216 L N 2.534 123.873 121.223 0.195 0.000 2.287 216 L HA 0.572 4.912 4.340 -0.001 0.000 0.287 216 L C -0.299 176.784 176.870 0.355 0.000 1.022 216 L CA -0.446 54.498 54.840 0.172 0.000 0.814 216 L CB 1.410 43.542 42.059 0.121 0.000 1.217 216 L HN 0.579 nan 8.230 nan 0.000 0.420 217 E N 4.400 124.805 120.200 0.342 0.000 2.134 217 E HA 0.214 4.563 4.350 -0.001 0.000 0.278 217 E C -0.606 176.169 176.600 0.291 0.000 0.959 217 E CA -0.273 56.369 56.400 0.403 0.000 0.783 217 E CB 0.561 30.526 29.700 0.442 0.000 1.095 217 E HN 0.705 nan 8.360 nan 0.000 0.399 218 E N 3.429 123.845 120.200 0.359 0.000 2.228 218 E HA -0.181 4.169 4.350 -0.001 0.000 0.213 218 E C -1.826 174.919 176.600 0.242 0.000 1.282 218 E CA 0.100 56.742 56.400 0.403 0.000 0.707 218 E CB -0.408 29.535 29.700 0.406 0.000 1.150 218 E HN 0.579 nan 8.360 nan 0.000 0.362 219 P HA -0.131 nan 4.420 nan 0.000 0.218 219 P C 0.629 177.957 177.300 0.046 0.000 1.149 219 P CA 1.320 64.494 63.100 0.122 0.000 0.817 219 P CB 0.255 32.046 31.700 0.152 0.000 0.785 220 L N -1.046 120.117 121.223 -0.099 0.000 2.319 220 L HA 0.541 4.881 4.340 -0.001 0.000 0.267 220 L C -2.628 174.259 176.870 0.028 0.000 1.011 220 L CA -3.165 51.600 54.840 -0.126 0.000 0.818 220 L CB 1.373 43.173 42.059 -0.431 0.000 1.316 220 L HN -0.351 nan 8.230 nan 0.000 0.432 221 P HA 0.101 nan 4.420 nan 0.000 0.272 221 P C -0.384 177.002 177.300 0.143 0.000 1.240 221 P CA 0.038 63.235 63.100 0.162 0.000 0.791 221 P CB 0.351 32.121 31.700 0.116 0.000 0.978 222 F N -0.455 119.567 119.950 0.121 0.000 2.639 222 F HA 0.083 4.609 4.527 -0.001 0.000 0.300 222 F C 1.443 177.264 175.800 0.035 0.000 1.109 222 F CA 0.244 58.281 58.000 0.061 0.000 1.335 222 F CB -0.203 38.743 39.000 -0.090 0.000 1.014 222 F HN 0.185 nan 8.300 nan 0.000 0.537 223 D N -0.232 120.267 120.400 0.166 0.000 2.178 223 D HA -0.097 4.543 4.640 -0.001 0.000 0.202 223 D C 0.949 177.297 176.300 0.080 0.000 0.974 223 D CA 1.201 55.260 54.000 0.098 0.000 0.841 223 D CB 0.083 40.925 40.800 0.069 0.000 0.953 223 D HN 0.245 nan 8.370 nan 0.000 0.478 224 Q N 0.077 119.928 119.800 0.085 0.000 2.700 224 Q HA 0.202 4.542 4.340 -0.001 0.000 0.249 224 Q C -1.933 174.125 176.000 0.097 0.000 1.033 224 Q CA -1.617 54.227 55.803 0.069 0.000 0.804 224 Q CB 1.852 30.617 28.738 0.045 0.000 1.164 224 Q HN 0.022 nan 8.270 nan 0.000 0.500 225 P HA -0.194 nan 4.420 nan 0.000 0.217 225 P C 1.254 178.621 177.300 0.112 0.000 1.148 225 P CA 1.243 64.407 63.100 0.107 0.000 0.834 225 P CB 0.551 32.293 31.700 0.069 0.000 0.783 226 Q N -0.694 119.151 119.800 0.075 0.000 2.167 226 Q HA -0.143 4.197 4.340 -0.001 0.000 0.202 226 Q C 1.578 177.607 176.000 0.049 0.000 0.970 226 Q CA 1.246 57.083 55.803 0.056 0.000 0.855 226 Q CB -0.819 27.939 28.738 0.034 0.000 0.911 226 Q HN 0.372 nan 8.270 nan 0.000 0.438 227 D N -0.528 119.898 120.400 0.044 0.000 2.144 227 D HA -0.130 4.510 4.640 -0.001 0.000 0.200 227 D C 1.768 178.039 176.300 -0.049 0.000 0.978 227 D CA 0.800 54.792 54.000 -0.012 0.000 0.833 227 D CB -0.238 40.538 40.800 -0.040 0.000 0.961 227 D HN 0.282 nan 8.370 nan 0.000 0.470 228 Y N 1.441 121.694 120.300 -0.079 0.000 2.128 228 Y HA -0.207 4.342 4.550 -0.001 0.000 0.284 228 Y C 2.531 178.417 175.900 -0.023 0.000 1.154 228 Y CA 1.506 59.561 58.100 -0.076 0.000 1.149 228 Y CB -0.444 37.944 38.460 -0.120 0.000 0.976 228 Y HN -0.057 nan 8.280 nan 0.000 0.505 229 A N -0.448 122.458 122.820 0.143 0.000 1.969 229 A HA -0.200 4.119 4.320 -0.001 0.000 0.218 229 A C 2.313 179.929 177.584 0.054 0.000 1.169 229 A CA 1.518 53.612 52.037 0.094 0.000 0.635 229 A CB -0.782 18.263 19.000 0.075 0.000 0.810 229 A HN 0.553 nan 8.150 nan 0.000 0.445 230 M N -0.935 118.681 119.600 0.026 0.000 2.065 230 M HA -0.171 4.308 4.480 -0.001 0.000 0.259 230 M C 2.086 178.381 176.300 -0.009 0.000 1.071 230 M CA 2.207 57.503 55.300 -0.006 0.000 1.109 230 M CB -0.238 32.344 32.600 -0.029 0.000 1.313 230 M HN 0.389 nan 8.290 nan 0.000 0.408 231 L N 0.622 121.832 121.223 -0.022 0.000 2.017 231 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 231 L C 2.567 179.480 176.870 0.071 0.000 1.073 231 L CA 1.991 56.833 54.840 0.003 0.000 0.745 231 L CB -1.007 41.007 42.059 -0.076 0.000 0.894 231 L HN 0.361 nan 8.230 nan 0.000 0.432 232 R N -0.502 120.040 120.500 0.069 0.000 2.112 232 R HA -0.232 4.108 4.340 -0.001 0.000 0.242 232 R C 2.434 178.790 176.300 0.092 0.000 1.137 232 R CA 2.180 58.338 56.100 0.097 0.000 0.944 232 R CB -0.577 29.787 30.300 0.108 0.000 0.857 232 R HN 0.676 nan 8.270 nan 0.000 0.435 233 S N -0.052 115.691 115.700 0.071 0.000 2.440 233 S HA -0.130 4.339 4.470 -0.001 0.000 0.238 233 S C 1.695 176.344 174.600 0.081 0.000 1.010 233 S CA 1.086 59.324 58.200 0.063 0.000 0.972 233 S CB -0.221 63.003 63.200 0.039 0.000 0.774 233 S HN 0.456 nan 8.310 nan 0.000 0.501 234 R N -0.118 120.446 120.500 0.106 0.000 2.290 234 R HA 0.413 4.753 4.340 -0.001 0.000 0.197 234 R C 0.034 176.538 176.300 0.340 0.000 0.913 234 R CA 0.004 56.207 56.100 0.172 0.000 1.040 234 R CB 0.024 30.353 30.300 0.048 0.000 0.992 234 R HN 0.386 nan 8.270 nan 0.000 0.500 235 L N 0.119 121.508 121.223 0.277 0.000 2.343 235 L HA 0.231 4.571 4.340 -0.001 0.000 0.275 235 L C 0.858 177.842 176.870 0.190 0.000 1.056 235 L CA -0.248 54.768 54.840 0.292 0.000 0.804 235 L CB 1.982 44.211 42.059 0.283 0.000 1.203 235 L HN -0.071 nan 8.230 nan 0.000 0.440 236 S N 0.756 116.571 115.700 0.192 0.000 2.631 236 S HA 0.110 4.580 4.470 -0.001 0.000 0.217 236 S C 0.016 174.636 174.600 0.032 0.000 0.958 236 S CA -0.242 58.031 58.200 0.123 0.000 0.920 236 S CB -0.102 63.192 63.200 0.158 0.000 0.776 236 S HN 0.449 nan 8.310 nan 0.000 0.517 237 V N -1.059 118.817 119.914 -0.063 0.000 2.962 237 V HA 0.692 4.811 4.120 -0.001 0.000 0.313 237 V C -3.064 172.995 176.094 -0.058 0.000 1.099 237 V CA -2.941 59.269 62.300 -0.150 0.000 0.971 237 V CB 1.418 32.959 31.823 -0.471 0.000 1.028 237 V HN -0.188 nan 8.190 nan 0.000 0.430 238 P HA 0.279 nan 4.420 nan 0.000 0.269 238 P C -0.709 176.629 177.300 0.064 0.000 1.215 238 P CA 0.020 63.133 63.100 0.022 0.000 0.780 238 P CB 0.862 32.568 31.700 0.010 0.000 0.898 239 V N 1.350 121.292 119.914 0.047 0.000 2.495 239 V HA 0.654 4.774 4.120 -0.001 0.000 0.298 239 V C 0.350 176.441 176.094 -0.004 0.000 1.031 239 V CA -0.610 61.753 62.300 0.104 0.000 0.871 239 V CB 1.352 33.283 31.823 0.181 0.000 0.988 239 V HN 0.807 nan 8.190 nan 0.000 0.432 240 A N 3.172 125.964 122.820 -0.046 0.000 2.346 240 A HA 1.085 5.405 4.320 -0.001 0.000 0.313 240 A C 0.140 177.769 177.584 0.075 0.000 1.140 240 A CA -0.097 51.800 52.037 -0.233 0.000 0.826 240 A CB 1.992 20.490 19.000 -0.837 0.000 1.332 240 A HN 1.642 nan 8.150 nan 0.000 0.457 241 G N -2.285 106.550 108.800 0.058 0.000 2.316 241 G HA2 0.583 4.542 3.960 -0.001 0.000 0.296 241 G HA3 0.583 4.542 3.960 -0.001 0.000 0.296 241 G C 0.210 175.105 174.900 -0.009 0.000 1.399 241 G CA 0.707 45.932 45.100 0.209 0.000 0.833 241 G HN 2.375 nan 8.290 nan 0.000 0.565 242 G N -0.858 107.778 108.800 -0.274 0.000 2.145 242 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.145 242 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.145 242 G C 0.834 175.611 174.900 -0.206 0.000 1.017 242 G CA 1.177 46.030 45.100 -0.411 0.000 0.682 242 G HN 1.578 nan 8.290 nan 0.000 0.504 243 E N -0.096 119.975 120.200 -0.216 0.000 2.265 243 E HA -0.083 4.267 4.350 -0.001 0.000 0.196 243 E C 1.485 178.066 176.600 -0.033 0.000 0.996 243 E CA 1.044 57.299 56.400 -0.243 0.000 0.832 243 E CB -0.167 29.078 29.700 -0.760 0.000 0.756 243 E HN 0.377 nan 8.360 nan 0.000 0.491 244 N N 0.276 118.903 118.700 -0.121 0.000 2.336 244 N HA 0.068 4.808 4.740 -0.001 0.000 0.189 244 N C 0.008 175.413 175.510 -0.175 0.000 1.113 244 N CA 0.265 53.269 53.050 -0.077 0.000 0.858 244 N CB 0.190 38.598 38.487 -0.132 0.000 0.970 244 N HN 0.215 nan 8.380 nan 0.000 0.471 245 M N 0.615 120.035 119.600 -0.301 0.000 2.248 245 M HA 0.065 4.545 4.480 -0.001 0.000 0.337 245 M C 1.286 177.443 176.300 -0.239 0.000 1.121 245 M CA 0.431 55.461 55.300 -0.450 0.000 1.155 245 M CB 0.438 32.406 32.600 -1.054 0.000 1.514 245 M HN -0.093 nan 8.290 nan 0.000 0.452 246 K N 0.594 120.872 120.400 -0.202 0.000 2.379 246 K HA 0.338 4.658 4.320 -0.001 0.000 0.194 246 K C 0.925 177.507 176.600 -0.030 0.000 1.031 246 K CA 0.228 56.471 56.287 -0.074 0.000 1.037 246 K CB 0.495 32.954 32.500 -0.068 0.000 0.824 246 K HN 0.927 nan 8.250 nan 0.000 0.516 247 G N 0.173 108.925 108.800 -0.080 0.000 2.317 247 G HA2 0.018 3.978 3.960 -0.001 0.000 0.293 247 G HA3 0.018 3.978 3.960 -0.001 0.000 0.293 247 G C -2.710 172.219 174.900 0.049 0.000 1.287 247 G CA -0.916 44.200 45.100 0.026 0.000 0.850 247 G HN -0.341 nan 8.290 nan 0.000 0.515 248 P HA 0.012 nan 4.420 nan 0.000 0.218 248 P C 2.134 179.485 177.300 0.085 0.000 1.148 248 P CA 2.422 65.619 63.100 0.162 0.000 0.822 248 P CB 0.141 31.900 31.700 0.098 0.000 0.784 249 A N -0.304 122.529 122.820 0.022 0.000 1.940 249 A HA -0.276 4.043 4.320 -0.001 0.000 0.219 249 A C 2.181 179.732 177.584 -0.055 0.000 1.176 249 A CA 1.628 53.662 52.037 -0.004 0.000 0.631 249 A CB -1.182 17.809 19.000 -0.016 0.000 0.814 249 A HN 0.234 nan 8.150 nan 0.000 0.446 250 Q N -1.827 117.890 119.800 -0.138 0.000 2.123 250 Q HA -0.134 4.206 4.340 -0.001 0.000 0.199 250 Q C 1.843 177.668 176.000 -0.291 0.000 0.966 250 Q CA 1.499 57.155 55.803 -0.244 0.000 0.845 250 Q CB -0.282 28.241 28.738 -0.359 0.000 0.907 250 Q HN 0.873 nan 8.270 nan 0.000 0.439 251 Y N -0.031 120.181 120.300 -0.147 0.000 2.224 251 Y HA -0.234 4.316 4.550 -0.000 0.000 0.289 251 Y C 2.396 178.156 175.900 -0.233 0.000 1.146 251 Y CA 0.600 58.578 58.100 -0.204 0.000 1.182 251 Y CB -0.216 38.112 38.460 -0.219 0.000 0.983 251 Y HN -0.094 nan 8.280 nan 0.000 0.524 252 V N 1.423 121.329 119.914 -0.013 0.000 2.250 252 V HA -0.292 3.827 4.120 -0.001 0.000 0.250 252 V C -0.328 175.728 176.094 -0.062 0.000 1.060 252 V CA 2.490 64.771 62.300 -0.031 0.000 1.030 252 V CB -1.712 30.170 31.823 0.098 0.000 0.643 252 V HN 0.336 nan 8.190 nan 0.000 0.445 253 P HA -0.104 nan 4.420 nan 0.000 0.219 253 P C 1.890 179.166 177.300 -0.040 0.000 1.150 253 P CA 1.332 64.423 63.100 -0.015 0.000 0.814 253 P CB -0.047 31.649 31.700 -0.006 0.000 0.787 254 L N -0.890 120.290 121.223 -0.071 0.000 2.012 254 L HA -0.161 4.179 4.340 -0.001 0.000 0.210 254 L C 2.775 179.568 176.870 -0.129 0.000 1.073 254 L CA 1.493 56.293 54.840 -0.067 0.000 0.748 254 L CB -1.126 40.906 42.059 -0.046 0.000 0.891 254 L HN -0.095 nan 8.230 nan 0.000 0.431 255 L N -1.271 119.764 121.223 -0.314 0.000 2.131 255 L HA -0.089 4.251 4.340 -0.001 0.000 0.206 255 L C 2.692 179.418 176.870 -0.240 0.000 1.087 255 L CA 0.683 55.201 54.840 -0.536 0.000 0.767 255 L CB -0.592 40.587 42.059 -1.467 0.000 0.917 255 L HN 0.169 nan 8.230 nan 0.000 0.441 256 S N -0.105 115.566 115.700 -0.049 0.000 2.383 256 S HA -0.234 4.235 4.470 -0.001 0.000 0.229 256 S C 1.823 176.492 174.600 0.114 0.000 1.030 256 S CA 1.362 59.691 58.200 0.215 0.000 1.002 256 S CB -0.232 63.083 63.200 0.191 0.000 0.829 256 S HN 0.503 nan 8.310 nan 0.000 0.467 257 Q N -0.090 119.741 119.800 0.052 0.000 2.403 257 Q HA 0.256 4.595 4.340 -0.001 0.000 0.203 257 Q C -0.294 175.736 176.000 0.050 0.000 0.932 257 Q CA -0.123 55.710 55.803 0.051 0.000 0.945 257 Q CB 0.212 28.975 28.738 0.041 0.000 1.045 257 Q HN 0.326 nan 8.270 nan 0.000 0.511 258 R N -1.286 119.236 120.500 0.038 0.000 3.322 258 R HA -0.187 4.152 4.340 -0.001 0.000 0.266 258 R C 0.213 176.541 176.300 0.046 0.000 1.072 258 R CA 0.220 56.345 56.100 0.042 0.000 0.715 258 R CB -2.803 27.535 30.300 0.062 0.000 1.199 258 R HN 0.354 nan 8.270 nan 0.000 0.421 259 C N -0.122 119.199 119.300 0.034 0.000 2.495 259 C HA 0.180 4.640 4.460 -0.001 0.000 0.275 259 C C 1.077 176.126 174.990 0.098 0.000 1.392 259 C CA 0.395 59.461 59.018 0.080 0.000 1.766 259 C CB -0.301 27.454 27.740 0.026 0.000 1.933 259 C HN 0.365 nan 8.230 nan 0.000 0.519 260 L N 0.058 121.296 121.223 0.025 0.000 2.445 260 L HA 0.347 4.687 4.340 -0.001 0.000 0.262 260 L C -0.003 176.833 176.870 -0.056 0.000 0.974 260 L CA -0.303 54.536 54.840 -0.001 0.000 0.822 260 L CB 1.728 43.764 42.059 -0.040 0.000 1.339 260 L HN -0.031 nan 8.230 nan 0.000 0.409 261 D N 1.743 122.094 120.400 -0.083 0.000 2.240 261 D HA 0.210 4.850 4.640 -0.001 0.000 0.206 261 D C 0.111 176.263 176.300 -0.247 0.000 0.963 261 D CA 1.388 55.306 54.000 -0.138 0.000 0.863 261 D CB 1.048 41.773 40.800 -0.126 0.000 0.973 261 D HN 0.244 nan 8.370 nan 0.000 0.501 262 I N 1.496 121.880 120.570 -0.310 0.000 2.534 262 I HA 0.241 4.411 4.170 -0.001 0.000 0.288 262 I C -0.120 175.779 176.117 -0.364 0.000 1.077 262 I CA -0.877 60.162 61.300 -0.436 0.000 1.051 262 I CB 2.511 40.053 38.000 -0.763 0.000 1.234 262 I HN -0.168 nan 8.210 nan 0.000 0.425 263 I N 2.154 122.507 120.570 -0.362 0.000 2.664 263 I HA 0.572 4.741 4.170 -0.001 0.000 0.308 263 I C -0.528 175.410 176.117 -0.299 0.000 0.984 263 I CA -0.382 60.709 61.300 -0.348 0.000 1.213 263 I CB 1.368 38.996 38.000 -0.619 0.000 1.379 263 I HN 0.608 nan 8.210 nan 0.000 0.501 264 Q N 3.536 123.242 119.800 -0.156 0.000 3.048 264 Q HA 0.373 4.713 4.340 -0.001 0.000 0.337 264 Q C -2.539 173.518 176.000 0.095 0.000 0.845 264 Q CA -1.770 54.036 55.803 0.005 0.000 0.942 264 Q CB 1.070 29.891 28.738 0.139 0.000 1.454 264 Q HN 0.523 nan 8.270 nan 0.000 0.392 265 P HA -0.013 nan 4.420 nan 0.000 0.270 265 P C -0.626 176.901 177.300 0.379 0.000 1.223 265 P CA 0.131 63.344 63.100 0.188 0.000 0.785 265 P CB 1.001 32.651 31.700 -0.085 0.000 0.923 266 D N 0.945 121.546 120.400 0.334 0.000 2.505 266 D HA 0.105 4.744 4.640 -0.001 0.000 0.249 266 D C 1.187 177.592 176.300 0.175 0.000 1.082 266 D CA -0.896 53.218 54.000 0.189 0.000 0.839 266 D CB 1.703 42.370 40.800 -0.222 0.000 1.317 266 D HN -0.087 nan 8.370 nan 0.000 0.497 267 V N 3.954 123.773 119.914 -0.158 0.000 2.278 267 V HA -0.280 3.840 4.120 -0.001 0.000 0.251 267 V C 2.252 178.328 176.094 -0.031 0.000 1.062 267 V CA 1.826 63.946 62.300 -0.299 0.000 1.038 267 V CB -0.528 30.986 31.823 -0.516 0.000 0.646 267 V HN 0.710 nan 8.190 nan 0.000 0.447 268 M N -1.355 118.237 119.600 -0.013 0.000 2.618 268 M HA 0.025 4.505 4.480 -0.001 0.000 0.240 268 M C 1.561 178.032 176.300 0.284 0.000 1.123 268 M CA 0.991 56.348 55.300 0.094 0.000 1.060 268 M CB -0.273 32.377 32.600 0.084 0.000 1.535 268 M HN 0.528 nan 8.290 nan 0.000 0.507 269 H N -1.039 118.072 119.070 0.068 0.000 2.750 269 H HA 0.165 4.720 4.556 -0.000 0.000 0.263 269 H C 0.807 176.171 175.328 0.059 0.000 0.964 269 H CA -0.399 55.684 56.048 0.057 0.000 1.205 269 H CB 0.834 30.621 29.762 0.042 0.000 1.454 269 H HN 0.209 nan 8.280 nan 0.000 0.503 270 V N -0.629 119.424 119.914 0.232 0.000 3.234 270 V HA 0.204 4.324 4.120 -0.001 0.000 0.317 270 V C 0.625 176.793 176.094 0.124 0.000 1.081 270 V CA -1.118 61.287 62.300 0.176 0.000 1.037 270 V CB 1.313 33.288 31.823 0.253 0.000 1.148 270 V HN 0.134 nan 8.190 nan 0.000 0.453 271 N N 2.286 121.040 118.700 0.089 0.000 3.105 271 N HA 0.381 5.121 4.740 -0.001 0.000 0.309 271 N C 0.542 176.090 175.510 0.064 0.000 1.291 271 N CA 1.294 54.378 53.050 0.057 0.000 1.153 271 N CB -0.523 37.982 38.487 0.030 0.000 1.447 271 N HN 1.419 nan 8.380 nan 0.000 0.555 272 G N 0.091 108.936 108.800 0.075 0.000 2.663 272 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.686 272 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.686 272 G C 0.584 175.545 174.900 0.102 0.000 1.246 272 G CA -0.572 44.569 45.100 0.068 0.000 0.795 272 G HN 0.245 nan 8.290 nan 0.000 0.627 273 I N 0.195 120.815 120.570 0.083 0.000 2.546 273 I HA 0.046 4.216 4.170 -0.001 0.000 0.255 273 I C 2.047 178.244 176.117 0.134 0.000 1.163 273 I CA 2.149 63.526 61.300 0.128 0.000 1.457 273 I CB -0.174 37.902 38.000 0.125 0.000 1.092 273 I HN 0.565 nan 8.210 nan 0.000 0.434 274 D N 0.319 120.769 120.400 0.083 0.000 2.117 274 D HA -0.253 4.387 4.640 -0.001 0.000 0.197 274 D C 1.959 178.272 176.300 0.021 0.000 0.987 274 D CA 1.442 55.449 54.000 0.011 0.000 0.829 274 D CB -0.082 40.737 40.800 0.032 0.000 0.961 274 D HN 0.517 nan 8.370 nan 0.000 0.460 275 E N -0.243 119.997 120.200 0.067 0.000 2.106 275 E HA -0.141 4.209 4.350 -0.001 0.000 0.192 275 E C 1.886 178.534 176.600 0.081 0.000 0.984 275 E CA 0.372 56.812 56.400 0.065 0.000 0.806 275 E CB -0.197 29.548 29.700 0.075 0.000 0.750 275 E HN 0.189 nan 8.360 nan 0.000 0.458 276 F N 1.278 121.226 119.950 -0.003 0.000 2.102 276 F HA -0.131 4.396 4.527 -0.001 0.000 0.298 276 F C 2.109 177.882 175.800 -0.046 0.000 1.105 276 F CA 1.613 59.614 58.000 0.002 0.000 1.239 276 F CB -0.051 38.963 39.000 0.024 0.000 0.991 276 F HN -0.115 nan 8.300 nan 0.000 0.474 277 R N 0.267 120.783 120.500 0.026 0.000 2.105 277 R HA -0.188 4.152 4.340 -0.001 0.000 0.239 277 R C 1.780 177.970 176.300 -0.182 0.000 1.135 277 R CA 1.677 57.689 56.100 -0.146 0.000 0.967 277 R CB -0.756 29.381 30.300 -0.271 0.000 0.861 277 R HN 0.348 nan 8.270 nan 0.000 0.442 278 D N 0.206 120.538 120.400 -0.113 0.000 2.178 278 D HA -0.117 4.522 4.640 -0.001 0.000 0.201 278 D C 1.901 178.138 176.300 -0.105 0.000 0.980 278 D CA 0.905 54.865 54.000 -0.067 0.000 0.842 278 D CB -0.317 40.480 40.800 -0.005 0.000 0.948 278 D HN 0.259 nan 8.370 nan 0.000 0.472 279 C N 0.452 119.640 119.300 -0.187 0.000 2.429 279 C HA -0.047 4.413 4.460 -0.001 0.000 0.277 279 C C 2.867 177.629 174.990 -0.380 0.000 1.262 279 C CA 0.157 59.007 59.018 -0.279 0.000 1.733 279 C CB -1.051 26.460 27.740 -0.382 0.000 2.010 279 C HN 0.363 nan 8.230 nan 0.000 0.483 280 L N 0.228 121.195 121.223 -0.426 0.000 2.093 280 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 280 L C 2.664 179.365 176.870 -0.282 0.000 1.085 280 L CA 1.433 56.054 54.840 -0.365 0.000 0.755 280 L CB -0.741 41.120 42.059 -0.329 0.000 0.904 280 L HN 0.298 nan 8.230 nan 0.000 0.435 281 Q N 0.057 119.703 119.800 -0.258 0.000 2.245 281 Q HA -0.129 4.211 4.340 -0.001 0.000 0.201 281 Q C 1.972 177.734 176.000 -0.396 0.000 0.955 281 Q CA 0.925 56.508 55.803 -0.366 0.000 0.870 281 Q CB -0.044 28.554 28.738 -0.233 0.000 0.945 281 Q HN 0.350 nan 8.270 nan 0.000 0.461 282 L N -0.079 121.085 121.223 -0.099 0.000 2.017 282 L HA -0.039 4.300 4.340 -0.001 0.000 0.208 282 L C 2.007 178.958 176.870 0.135 0.000 1.073 282 L CA 2.139 57.067 54.840 0.147 0.000 0.745 282 L CB -0.963 41.158 42.059 0.104 0.000 0.894 282 L HN 0.188 nan 8.230 nan 0.000 0.432 283 A N -0.301 122.466 122.820 -0.088 0.000 1.892 283 A HA -0.239 4.081 4.320 -0.001 0.000 0.218 283 A C 2.374 179.933 177.584 -0.041 0.000 1.188 283 A CA 1.861 53.833 52.037 -0.109 0.000 0.631 283 A CB -0.626 18.221 19.000 -0.255 0.000 0.822 283 A HN 0.469 nan 8.150 nan 0.000 0.447 284 R N -1.519 118.888 120.500 -0.155 0.000 2.096 284 R HA -0.134 4.205 4.340 -0.001 0.000 0.235 284 R C 1.936 178.193 176.300 -0.072 0.000 1.127 284 R CA 1.565 57.567 56.100 -0.164 0.000 0.968 284 R CB -0.838 29.273 30.300 -0.315 0.000 0.861 284 R HN 0.702 nan 8.270 nan 0.000 0.440 285 Y N -0.634 119.696 120.300 0.050 0.000 2.293 285 Y HA -0.098 4.452 4.550 -0.001 0.000 0.291 285 Y C 1.998 177.868 175.900 -0.049 0.000 1.137 285 Y CA 0.486 58.581 58.100 -0.009 0.000 1.202 285 Y CB -0.624 37.815 38.460 -0.035 0.000 0.990 285 Y HN -0.057 nan 8.280 nan 0.000 0.537 286 F N -0.628 119.383 119.950 0.102 0.000 2.780 286 F HA 0.210 4.737 4.527 -0.001 0.000 0.299 286 F C 1.961 177.777 175.800 0.027 0.000 1.146 286 F CA 0.941 58.971 58.000 0.050 0.000 1.428 286 F CB -0.189 38.819 39.000 0.014 0.000 1.115 286 F HN 0.135 nan 8.300 nan 0.000 0.583 287 G N 0.991 109.895 108.800 0.173 0.000 2.160 287 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.251 287 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.251 287 G C 0.058 175.007 174.900 0.081 0.000 1.008 287 G CA 0.282 45.455 45.100 0.121 0.000 0.724 287 G HN 0.561 nan 8.290 nan 0.000 0.514 288 V N -3.150 116.788 119.914 0.040 0.000 2.994 288 V HA 0.904 5.023 4.120 -0.001 0.000 0.318 288 V C 0.576 176.575 176.094 -0.159 0.000 1.085 288 V CA -1.572 60.684 62.300 -0.073 0.000 0.998 288 V CB 1.559 33.321 31.823 -0.101 0.000 1.063 288 V HN 0.351 nan 8.190 nan 0.000 0.447 289 R N 1.446 121.775 120.500 -0.285 0.000 2.543 289 R HA 0.808 5.148 4.340 -0.001 0.000 0.268 289 R C -0.381 175.712 176.300 -0.345 0.000 1.067 289 R CA -0.017 55.857 56.100 -0.377 0.000 1.142 289 R CB 1.597 31.523 30.300 -0.625 0.000 1.110 289 R HN 1.126 nan 8.270 nan 0.000 0.549 290 A N 0.691 123.329 122.820 -0.304 0.000 2.414 290 A HA 0.379 4.699 4.320 -0.001 0.000 0.286 290 A C -1.093 176.378 177.584 -0.188 0.000 1.073 290 A CA -0.481 51.385 52.037 -0.285 0.000 0.727 290 A CB 1.742 20.570 19.000 -0.286 0.000 1.215 290 A HN 0.500 nan 8.150 nan 0.000 0.430 291 S N 2.444 118.048 115.700 -0.160 0.000 2.756 291 S HA 0.642 5.112 4.470 -0.001 0.000 0.303 291 S C 0.126 174.793 174.600 0.111 0.000 1.135 291 S CA 0.142 58.352 58.200 0.017 0.000 1.066 291 S CB 0.753 63.989 63.200 0.060 0.000 1.008 291 S HN 2.045 nan 8.310 nan 0.000 0.482 292 A N 4.754 127.678 122.820 0.174 0.000 2.540 292 A HA 0.250 4.569 4.320 -0.001 0.000 0.239 292 A C 0.267 177.993 177.584 0.236 0.000 1.061 292 A CA 0.157 52.354 52.037 0.267 0.000 0.758 292 A CB -0.049 19.172 19.000 0.368 0.000 0.991 292 A HN 0.944 nan 8.150 nan 0.000 0.502 293 H N 1.217 120.378 119.070 0.150 0.000 2.487 293 H HA 0.555 5.111 4.556 -0.000 0.000 0.333 293 H C -0.084 175.248 175.328 0.007 0.000 1.114 293 H CA 0.606 56.715 56.048 0.101 0.000 1.310 293 H CB 1.544 31.353 29.762 0.078 0.000 1.462 293 H HN 0.750 nan 8.280 nan 0.000 0.516 294 A N 5.490 128.235 122.820 -0.125 0.000 3.426 294 A HA -0.008 4.312 4.320 -0.001 0.000 0.222 294 A C 0.119 177.613 177.584 -0.151 0.000 1.090 294 A CA -0.548 51.416 52.037 -0.123 0.000 1.026 294 A CB -1.003 17.877 19.000 -0.200 0.000 1.342 294 A HN 0.834 nan 8.150 nan 0.000 0.695 295 Y N 0.976 121.193 120.300 -0.138 0.000 2.145 295 Y HA -0.064 4.485 4.550 -0.001 0.000 0.286 295 Y C 0.352 176.188 175.900 -0.107 0.000 1.145 295 Y CA 1.829 59.859 58.100 -0.116 0.000 1.148 295 Y CB 0.210 38.681 38.460 0.018 0.000 0.981 295 Y HN 0.403 nan 8.280 nan 0.000 0.507 296 D N 0.373 120.622 120.400 -0.252 0.000 2.193 296 D HA 0.473 5.113 4.640 -0.001 0.000 0.249 296 D C -0.270 175.904 176.300 -0.210 0.000 1.034 296 D CA 1.077 54.904 54.000 -0.289 0.000 0.902 296 D CB 1.460 42.191 40.800 -0.116 0.000 1.182 296 D HN 0.553 nan 8.370 nan 0.000 0.436 297 G N -0.209 108.459 108.800 -0.220 0.000 2.535 297 G HA2 0.105 4.065 3.960 -0.001 0.000 0.662 297 G HA3 0.105 4.065 3.960 -0.001 0.000 0.662 297 G C -0.151 174.599 174.900 -0.250 0.000 1.417 297 G CA -0.030 44.955 45.100 -0.192 0.000 0.866 297 G HN 0.394 nan 8.290 nan 0.000 0.647 298 S N 0.264 115.855 115.700 -0.183 0.000 3.608 298 S HA 0.222 4.692 4.470 -0.001 0.000 0.234 298 S C 2.004 176.525 174.600 -0.131 0.000 1.077 298 S CA 1.087 59.174 58.200 -0.189 0.000 0.827 298 S CB -0.393 62.731 63.200 -0.126 0.000 0.964 298 S HN 1.329 nan 8.310 nan 0.000 0.547 299 L N 2.923 124.106 121.223 -0.067 0.000 2.017 299 L HA 0.041 4.380 4.340 -0.001 0.000 0.208 299 L C 2.337 179.267 176.870 0.100 0.000 1.073 299 L CA 2.912 57.762 54.840 0.015 0.000 0.745 299 L CB -1.104 40.997 42.059 0.070 0.000 0.894 299 L HN 0.539 nan 8.230 nan 0.000 0.432 300 S N -0.684 115.041 115.700 0.042 0.000 2.399 300 S HA -0.271 4.199 4.470 -0.001 0.000 0.231 300 S C 2.197 176.767 174.600 -0.050 0.000 1.022 300 S CA 1.163 59.377 58.200 0.024 0.000 0.983 300 S CB -0.777 62.389 63.200 -0.056 0.000 0.803 300 S HN 0.593 nan 8.310 nan 0.000 0.480 301 R N 0.399 120.820 120.500 -0.131 0.000 2.148 301 R HA 0.038 4.377 4.340 -0.001 0.000 0.227 301 R C 2.253 178.448 176.300 -0.175 0.000 1.103 301 R CA 1.045 57.033 56.100 -0.186 0.000 0.983 301 R CB -0.381 29.730 30.300 -0.315 0.000 0.874 301 R HN 0.463 nan 8.270 nan 0.000 0.451 302 L N 0.001 121.094 121.223 -0.217 0.000 2.056 302 L HA -0.105 4.235 4.340 -0.001 0.000 0.207 302 L C 1.501 177.954 176.870 -0.695 0.000 1.078 302 L CA 1.705 56.269 54.840 -0.461 0.000 0.749 302 L CB -0.646 41.133 42.059 -0.466 0.000 0.901 302 L HN 0.137 nan 8.230 nan 0.000 0.433 303 Y N -0.188 119.925 120.300 -0.311 0.000 2.224 303 Y HA -0.173 4.376 4.550 -0.000 0.000 0.289 303 Y C 2.559 178.476 175.900 0.028 0.000 1.146 303 Y CA 1.538 59.615 58.100 -0.037 0.000 1.182 303 Y CB -0.786 37.722 38.460 0.080 0.000 0.983 303 Y HN 0.319 nan 8.280 nan 0.000 0.524 304 A N -0.146 122.674 122.820 -0.001 0.000 1.933 304 A HA -0.151 4.169 4.320 -0.001 0.000 0.218 304 A C 2.184 179.867 177.584 0.164 0.000 1.175 304 A CA 1.494 53.547 52.037 0.027 0.000 0.628 304 A CB -0.983 17.981 19.000 -0.060 0.000 0.814 304 A HN 0.482 nan 8.150 nan 0.000 0.444 305 L N -1.787 119.448 121.223 0.020 0.000 2.027 305 L HA -0.130 4.209 4.340 -0.001 0.000 0.206 305 L C 2.464 179.444 176.870 0.183 0.000 1.074 305 L CA 1.049 55.914 54.840 0.042 0.000 0.745 305 L CB -0.651 41.353 42.059 -0.092 0.000 0.898 305 L HN 0.320 nan 8.230 nan 0.000 0.433 306 F N 0.554 120.601 119.950 0.161 0.000 2.065 306 F HA -0.264 4.263 4.527 -0.001 0.000 0.298 306 F C 2.691 178.779 175.800 0.480 0.000 1.112 306 F CA 1.010 59.142 58.000 0.220 0.000 1.212 306 F CB -1.519 37.506 39.000 0.043 0.000 0.975 306 F HN 0.039 nan 8.300 nan 0.000 0.476 307 A N -0.547 122.748 122.820 0.791 0.000 1.892 307 A HA -0.301 4.019 4.320 -0.001 0.000 0.218 307 A C 2.159 179.978 177.584 0.391 0.000 1.188 307 A CA 2.068 54.452 52.037 0.579 0.000 0.631 307 A CB -1.029 18.312 19.000 0.568 0.000 0.822 307 A HN 0.393 nan 8.150 nan 0.000 0.447 308 Q N -0.639 119.368 119.800 0.345 0.000 2.224 308 Q HA 0.052 4.392 4.340 -0.001 0.000 0.203 308 Q C 1.934 178.080 176.000 0.243 0.000 0.970 308 Q CA 1.627 57.577 55.803 0.244 0.000 0.865 308 Q CB -0.465 28.398 28.738 0.210 0.000 0.922 308 Q HN 0.609 nan 8.270 nan 0.000 0.445 309 A N -1.353 121.647 122.820 0.301 0.000 2.016 309 A HA -0.073 4.247 4.320 -0.001 0.000 0.217 309 A C 1.806 179.605 177.584 0.357 0.000 1.162 309 A CA 1.047 53.260 52.037 0.292 0.000 0.662 309 A CB -0.353 18.825 19.000 0.296 0.000 0.812 309 A HN 0.504 nan 8.150 nan 0.000 0.450 310 C N -0.534 119.007 119.300 0.402 0.000 2.693 310 C HA 0.453 4.913 4.460 -0.001 0.000 0.286 310 C C 0.365 175.619 174.990 0.439 0.000 1.277 310 C CA -0.581 58.712 59.018 0.459 0.000 1.705 310 C CB -1.944 26.077 27.740 0.468 0.000 1.879 310 C HN 0.505 nan 8.230 nan 0.000 0.607 311 L N 3.586 124.959 121.223 0.250 0.000 2.295 311 L HA 0.524 4.863 4.340 -0.001 0.000 0.285 311 L C -2.105 174.541 176.870 -0.374 0.000 1.035 311 L CA -2.012 52.832 54.840 0.007 0.000 0.806 311 L CB 0.698 42.769 42.059 0.019 0.000 1.214 311 L HN -0.071 nan 8.230 nan 0.000 0.426 312 P HA 0.178 nan 4.420 nan 0.000 0.271 312 P C -2.754 174.317 177.300 -0.381 0.000 1.233 312 P CA -1.088 61.502 63.100 -0.850 0.000 0.789 312 P CB -0.540 30.878 31.700 -0.471 0.000 0.951 313 P HA -0.022 nan 4.420 nan 0.000 0.272 313 P C 0.892 178.153 177.300 -0.064 0.000 1.230 313 P CA -0.003 63.014 63.100 -0.139 0.000 0.788 313 P CB 0.224 31.760 31.700 -0.275 0.000 0.949 314 W N 1.169 122.457 121.300 -0.019 0.000 2.812 314 W HA 0.130 4.790 4.660 -0.000 0.000 0.263 314 W C -0.278 176.240 176.519 -0.002 0.000 1.284 314 W CA 0.203 57.531 57.345 -0.028 0.000 1.430 314 W CB -0.739 28.705 29.460 -0.028 0.000 1.088 314 W HN 0.362 nan 8.180 nan 0.000 0.623 315 S N 0.758 116.007 115.700 -0.750 0.000 2.740 315 S HA 0.445 4.914 4.470 -0.001 0.000 0.300 315 S C 0.084 174.441 174.600 -0.406 0.000 1.147 315 S CA -0.855 56.921 58.200 -0.706 0.000 0.871 315 S CB 2.297 64.653 63.200 -1.405 0.000 1.173 315 S HN 0.041 nan 8.310 nan 0.000 0.510 316 K N -0.018 120.214 120.400 -0.280 0.000 2.410 316 K HA 0.322 4.641 4.320 -0.001 0.000 0.200 316 K C -0.262 176.243 176.600 -0.157 0.000 1.023 316 K CA 0.047 56.220 56.287 -0.190 0.000 1.149 316 K CB -0.109 32.321 32.500 -0.116 0.000 0.859 316 K HN 0.486 nan 8.250 nan 0.000 0.514 317 M N 1.361 120.844 119.600 -0.194 0.000 2.143 317 M HA 0.066 4.546 4.480 -0.001 0.000 0.348 317 M C 0.867 177.182 176.300 0.025 0.000 1.375 317 M CA -0.193 55.048 55.300 -0.099 0.000 1.124 317 M CB 0.945 33.469 32.600 -0.126 0.000 1.669 317 M HN -0.208 nan 8.290 nan 0.000 0.469 318 K N 1.761 122.183 120.400 0.037 0.000 2.152 318 K HA -0.092 4.227 4.320 -0.001 0.000 0.206 318 K C 1.068 177.773 176.600 0.175 0.000 1.048 318 K CA 1.507 57.856 56.287 0.103 0.000 0.933 318 K CB -0.071 32.450 32.500 0.036 0.000 0.721 318 K HN 0.550 nan 8.250 nan 0.000 0.447 319 N N 0.193 118.928 118.700 0.058 0.000 2.280 319 N HA -0.040 4.699 4.740 -0.001 0.000 0.192 319 N C -0.678 174.777 175.510 -0.091 0.000 1.109 319 N CA 0.335 53.376 53.050 -0.014 0.000 0.855 319 N CB 0.695 39.181 38.487 -0.001 0.000 0.974 319 N HN 0.061 nan 8.380 nan 0.000 0.482 320 D N -0.250 120.078 120.400 -0.119 0.000 2.978 320 D HA 0.047 4.687 4.640 -0.001 0.000 0.268 320 D C -0.049 176.121 176.300 -0.217 0.000 1.252 320 D CA -0.228 53.713 54.000 -0.098 0.000 0.771 320 D CB -0.324 40.509 40.800 0.054 0.000 1.361 320 D HN 0.324 nan 8.370 nan 0.000 0.558 321 H N 0.713 119.662 119.070 -0.201 0.000 3.052 321 H HA 0.340 4.896 4.556 -0.001 0.000 0.257 321 H C -0.477 174.732 175.328 -0.197 0.000 1.193 321 H CA -0.447 55.260 56.048 -0.569 0.000 1.072 321 H CB 0.771 30.280 29.762 -0.421 0.000 1.685 321 H HN 0.130 nan 8.280 nan 0.000 0.630 322 I N 2.294 122.910 120.570 0.076 0.000 2.569 322 I HA 0.269 4.438 4.170 -0.001 0.000 0.290 322 I C -1.039 175.265 176.117 0.311 0.000 1.088 322 I CA -0.837 60.623 61.300 0.268 0.000 1.047 322 I CB 2.597 40.683 38.000 0.143 0.000 1.237 322 I HN 0.044 nan 8.210 nan 0.000 0.421 323 E N 8.028 128.399 120.200 0.284 0.000 2.373 323 E HA 0.370 4.720 4.350 -0.001 0.000 0.263 323 E C -2.308 174.409 176.600 0.195 0.000 1.073 323 E CA -1.249 55.260 56.400 0.181 0.000 0.894 323 E CB 0.030 29.752 29.700 0.037 0.000 1.008 323 E HN 0.365 nan 8.360 nan 0.000 0.420 324 P HA 0.158 nan 4.420 nan 0.000 0.274 324 P C -0.447 177.035 177.300 0.303 0.000 1.256 324 P CA -0.041 63.233 63.100 0.290 0.000 0.795 324 P CB 0.833 32.786 31.700 0.423 0.000 1.038 325 I N -0.414 120.278 120.570 0.204 0.000 2.646 325 I HA 0.243 4.413 4.170 -0.001 0.000 0.299 325 I C 0.705 176.695 176.117 -0.211 0.000 1.036 325 I CA -1.114 60.250 61.300 0.106 0.000 1.074 325 I CB 2.166 40.242 38.000 0.126 0.000 1.258 325 I HN 0.399 nan 8.210 nan 0.000 0.430 326 E N 5.633 125.602 120.200 -0.385 0.000 2.344 326 E HA -0.018 4.332 4.350 -0.001 0.000 0.270 326 E C -1.407 174.925 176.600 -0.446 0.000 1.021 326 E CA -0.313 55.541 56.400 -0.910 0.000 0.887 326 E CB 0.893 30.276 29.700 -0.528 0.000 0.997 326 E HN 0.448 nan 8.360 nan 0.000 0.429 327 W N 6.313 127.266 121.300 -0.580 0.000 2.338 327 W HA 0.162 4.822 4.660 -0.000 0.000 0.315 327 W C -0.843 175.452 176.519 -0.374 0.000 1.005 327 W CA -0.929 56.217 57.345 -0.332 0.000 1.380 327 W CB 0.902 30.272 29.460 -0.150 0.000 1.235 327 W HN 0.643 nan 8.180 nan 0.000 0.409 328 D N 3.132 123.240 120.400 -0.486 0.000 2.383 328 D HA 0.069 4.709 4.640 -0.001 0.000 0.252 328 D C 0.675 176.765 176.300 -0.350 0.000 1.166 328 D CA 0.186 53.958 54.000 -0.380 0.000 0.879 328 D CB 1.433 42.018 40.800 -0.357 0.000 1.164 328 D HN 0.180 nan 8.370 nan 0.000 0.462 329 V N 1.206 120.879 119.914 -0.403 0.000 3.214 329 V HA 0.311 4.431 4.120 -0.001 0.000 0.330 329 V C 0.376 176.282 176.094 -0.313 0.000 1.403 329 V CA -0.567 61.534 62.300 -0.332 0.000 1.143 329 V CB -0.510 30.984 31.823 -0.549 0.000 1.098 329 V HN 0.395 nan 8.190 nan 0.000 0.463 330 M N 1.383 120.774 119.600 -0.347 0.000 2.283 330 M HA 0.376 4.855 4.480 -0.001 0.000 0.314 330 M C 0.481 176.677 176.300 -0.174 0.000 1.153 330 M CA -0.562 54.504 55.300 -0.390 0.000 1.084 330 M CB 0.610 32.675 32.600 -0.891 0.000 1.468 330 M HN 0.544 nan 8.290 nan 0.000 0.474 331 E N 2.367 122.575 120.200 0.014 0.000 2.585 331 E HA -0.095 4.254 4.350 -0.001 0.000 0.252 331 E C -1.006 175.630 176.600 0.060 0.000 0.981 331 E CA 0.476 56.934 56.400 0.097 0.000 0.943 331 E CB 0.168 30.000 29.700 0.220 0.000 0.923 331 E HN 0.560 nan 8.360 nan 0.000 0.486 332 N N 5.583 124.209 118.700 -0.123 0.000 2.905 332 N HA 0.136 4.876 4.740 -0.001 0.000 0.255 332 N C -2.496 172.734 175.510 -0.467 0.000 1.199 332 N CA -1.337 51.549 53.050 -0.274 0.000 0.911 332 N CB 1.552 39.931 38.487 -0.181 0.000 1.550 332 N HN 0.182 nan 8.380 nan 0.000 0.599 333 P HA 0.026 nan 4.420 nan 0.000 0.226 333 P C 0.857 177.781 177.300 -0.627 0.000 1.153 333 P CA 0.703 63.320 63.100 -0.805 0.000 0.777 333 P CB -0.023 30.897 31.700 -1.300 0.000 0.794 334 F N -0.210 119.526 119.950 -0.357 0.000 2.604 334 F HA 0.009 4.536 4.527 -0.000 0.000 0.298 334 F C 2.488 178.159 175.800 -0.215 0.000 1.131 334 F CA 0.651 58.493 58.000 -0.262 0.000 1.457 334 F CB -1.987 36.870 39.000 -0.239 0.000 1.095 334 F HN -0.059 nan 8.300 nan 0.000 0.574 335 T N -0.608 113.881 114.554 -0.108 0.000 2.869 335 T HA -0.186 4.164 4.350 -0.001 0.000 0.270 335 T C 1.354 176.026 174.700 -0.046 0.000 1.082 335 T CA 1.772 63.801 62.100 -0.119 0.000 1.123 335 T CB -0.342 68.460 68.868 -0.111 0.000 0.856 335 T HN 0.170 nan 8.240 nan 0.000 0.499 336 D N 0.048 120.422 120.400 -0.043 0.000 2.349 336 D HA 0.202 4.842 4.640 -0.001 0.000 0.214 336 D C 1.884 178.169 176.300 -0.025 0.000 1.063 336 D CA -0.042 53.945 54.000 -0.020 0.000 0.847 336 D CB 0.090 40.874 40.800 -0.026 0.000 0.933 336 D HN 0.396 nan 8.370 nan 0.000 0.513 337 L N 0.464 121.674 121.223 -0.021 0.000 2.081 337 L HA -0.123 4.217 4.340 -0.001 0.000 0.212 337 L C 1.084 177.892 176.870 -0.102 0.000 1.080 337 L CA 0.959 55.767 54.840 -0.053 0.000 0.754 337 L CB -0.169 41.859 42.059 -0.051 0.000 0.893 337 L HN -0.031 nan 8.230 nan 0.000 0.433 338 V N -4.613 115.253 119.914 -0.080 0.000 2.581 338 V HA 0.397 4.517 4.120 -0.001 0.000 0.303 338 V C 0.123 176.198 176.094 -0.032 0.000 1.041 338 V CA -0.752 61.502 62.300 -0.076 0.000 0.907 338 V CB 1.690 33.465 31.823 -0.079 0.000 0.994 338 V HN -0.007 nan 8.190 nan 0.000 0.442 339 S N 5.367 121.049 115.700 -0.030 0.000 3.729 339 S HA 0.632 5.102 4.470 -0.001 0.000 0.235 339 S C -0.501 174.106 174.600 0.012 0.000 1.367 339 S CA -0.202 57.993 58.200 -0.008 0.000 0.907 339 S CB -0.567 62.619 63.200 -0.023 0.000 1.471 339 S HN 0.864 nan 8.310 nan 0.000 0.476 340 L N 2.663 123.919 121.223 0.054 0.000 2.516 340 L HA 0.556 4.896 4.340 -0.001 0.000 0.267 340 L C -1.496 175.459 176.870 0.140 0.000 0.957 340 L CA -0.051 54.831 54.840 0.070 0.000 0.860 340 L CB 1.671 43.774 42.059 0.072 0.000 1.265 340 L HN 0.238 nan 8.230 nan 0.000 0.403 341 Q N 4.561 124.352 119.800 -0.015 0.000 2.416 341 Q HA 0.630 4.969 4.340 -0.001 0.000 0.281 341 Q C -2.683 173.072 176.000 -0.408 0.000 1.067 341 Q CA -1.617 54.080 55.803 -0.176 0.000 0.809 341 Q CB 2.272 30.965 28.738 -0.075 0.000 1.418 341 Q HN 0.466 nan 8.270 nan 0.000 0.411 342 P HA 0.207 nan 4.420 nan 0.000 0.274 342 P C -0.768 176.269 177.300 -0.439 0.000 1.246 342 P CA -0.303 62.415 63.100 -0.637 0.000 0.795 342 P CB 0.845 32.010 31.700 -0.891 0.000 1.006 343 S N 0.652 116.155 115.700 -0.327 0.000 2.707 343 S HA 0.352 4.822 4.470 -0.001 0.000 0.303 343 S C -0.388 174.050 174.600 -0.270 0.000 1.132 343 S CA -0.647 57.397 58.200 -0.260 0.000 1.046 343 S CB -0.130 62.989 63.200 -0.135 0.000 1.004 343 S HN 0.425 nan 8.310 nan 0.000 0.483 344 K N 3.255 123.451 120.400 -0.340 0.000 3.125 344 K HA -0.174 4.145 4.320 -0.001 0.000 0.268 344 K C 0.768 177.165 176.600 -0.339 0.000 1.078 344 K CA 0.758 56.870 56.287 -0.292 0.000 0.775 344 K CB -1.813 30.593 32.500 -0.156 0.000 1.253 344 K HN 1.593 nan 8.250 nan 0.000 0.486 345 G N -0.572 107.870 108.800 -0.596 0.000 2.160 345 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.251 345 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.251 345 G C -0.079 174.661 174.900 -0.266 0.000 1.008 345 G CA 0.697 45.512 45.100 -0.474 0.000 0.724 345 G HN 0.191 nan 8.290 nan 0.000 0.514 346 M N -0.182 119.243 119.600 -0.293 0.000 2.457 346 M HA 0.594 5.073 4.480 -0.001 0.000 0.300 346 M C -0.224 175.904 176.300 -0.287 0.000 1.141 346 M CA -1.040 54.111 55.300 -0.247 0.000 0.901 346 M CB 2.052 34.512 32.600 -0.234 0.000 1.687 346 M HN -0.041 nan 8.290 nan 0.000 0.449 347 V N 2.722 122.470 119.914 -0.276 0.000 2.459 347 V HA 0.378 4.497 4.120 -0.001 0.000 0.295 347 V C -0.170 175.792 176.094 -0.220 0.000 1.029 347 V CA -0.723 61.443 62.300 -0.224 0.000 0.874 347 V CB 1.513 33.226 31.823 -0.182 0.000 0.985 347 V HN 0.662 nan 8.190 nan 0.000 0.438 348 H N 4.784 123.810 119.070 -0.072 0.000 2.604 348 H HA 0.345 4.901 4.556 -0.000 0.000 0.306 348 H C -0.221 175.113 175.328 0.010 0.000 1.075 348 H CA -0.728 55.306 56.048 -0.023 0.000 1.357 348 H CB 1.518 31.260 29.762 -0.034 0.000 1.426 348 H HN 0.369 nan 8.280 nan 0.000 0.470 349 I N 6.238 126.883 120.570 0.124 0.000 2.668 349 I HA -0.024 4.146 4.170 -0.001 0.000 0.285 349 I C -1.711 174.511 176.117 0.174 0.000 1.168 349 I CA -2.083 59.318 61.300 0.169 0.000 1.424 349 I CB -0.343 37.783 38.000 0.211 0.000 1.377 349 I HN 0.309 nan 8.210 nan 0.000 0.560 350 P HA 0.062 nan 4.420 nan 0.000 0.264 350 P C 0.167 177.522 177.300 0.091 0.000 1.183 350 P CA 0.016 63.202 63.100 0.142 0.000 0.763 350 P CB 0.708 32.509 31.700 0.168 0.000 0.807 351 K N 1.272 121.685 120.400 0.021 0.000 2.355 351 K HA 0.150 4.470 4.320 -0.001 0.000 0.198 351 K C 1.317 177.874 176.600 -0.071 0.000 1.039 351 K CA -0.092 56.173 56.287 -0.036 0.000 1.075 351 K CB 0.527 33.017 32.500 -0.016 0.000 0.870 351 K HN 0.566 nan 8.250 nan 0.000 0.540 352 G N 1.607 110.376 108.800 -0.052 0.000 2.683 352 G HA2 0.049 4.008 3.960 -0.001 0.000 0.260 352 G HA3 0.049 4.008 3.960 -0.001 0.000 0.260 352 G C -0.359 174.486 174.900 -0.091 0.000 1.238 352 G CA -0.404 44.663 45.100 -0.057 0.000 0.934 352 G HN 0.048 nan 8.290 nan 0.000 0.534 353 K N -0.356 120.002 120.400 -0.071 0.000 2.276 353 K HA 0.424 4.744 4.320 -0.001 0.000 0.259 353 K C 1.396 177.945 176.600 -0.084 0.000 1.001 353 K CA 0.815 57.053 56.287 -0.082 0.000 0.927 353 K CB 0.446 32.914 32.500 -0.052 0.000 0.969 353 K HN 0.915 nan 8.250 nan 0.000 0.490 354 G N 1.904 110.646 108.800 -0.097 0.000 2.672 354 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.324 354 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.324 354 G C 0.819 175.631 174.900 -0.148 0.000 1.286 354 G CA 0.771 45.820 45.100 -0.085 0.000 1.004 354 G HN 0.832 nan 8.290 nan 0.000 0.548 355 I N -0.355 120.190 120.570 -0.041 0.000 3.646 355 I HA 0.481 4.650 4.170 -0.001 0.000 0.301 355 I C 1.790 177.951 176.117 0.073 0.000 1.276 355 I CA 1.007 62.325 61.300 0.029 0.000 1.254 355 I CB -0.419 37.636 38.000 0.092 0.000 1.020 355 I HN 2.079 nan 8.210 nan 0.000 0.473 356 G N 0.971 109.768 108.800 -0.005 0.000 2.168 356 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.257 356 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.257 356 G C 0.240 175.150 174.900 0.018 0.000 0.997 356 G CA 0.616 45.718 45.100 0.004 0.000 0.708 356 G HN 0.706 nan 8.290 nan 0.000 0.520 357 T N -0.949 113.609 114.554 0.006 0.000 2.775 357 T HA 0.515 4.864 4.350 -0.001 0.000 0.320 357 T C -1.628 173.038 174.700 -0.055 0.000 1.597 357 T CA -0.241 61.847 62.100 -0.019 0.000 1.022 357 T CB 1.485 70.344 68.868 -0.014 0.000 1.485 357 T HN 0.255 nan 8.240 nan 0.000 0.494 358 E N 1.684 121.831 120.200 -0.087 0.000 2.277 358 E HA 0.498 4.848 4.350 -0.001 0.000 0.266 358 E C -0.413 176.056 176.600 -0.218 0.000 0.901 358 E CA -1.010 55.301 56.400 -0.149 0.000 0.782 358 E CB 2.028 31.656 29.700 -0.120 0.000 1.228 358 E HN 0.473 nan 8.360 nan 0.000 0.424 359 I N 2.139 122.483 120.570 -0.377 0.000 2.474 359 I HA 0.019 4.189 4.170 -0.001 0.000 0.287 359 I C 0.607 176.520 176.117 -0.339 0.000 1.048 359 I CA -0.423 60.612 61.300 -0.441 0.000 1.383 359 I CB 0.374 37.865 38.000 -0.848 0.000 1.412 359 I HN 0.357 nan 8.210 nan 0.000 0.531 360 N N 7.097 125.658 118.700 -0.231 0.000 2.434 360 N HA -0.009 4.731 4.740 -0.001 0.000 0.273 360 N C 0.861 176.272 175.510 -0.165 0.000 1.210 360 N CA -0.175 52.781 53.050 -0.156 0.000 0.992 360 N CB 0.649 39.084 38.487 -0.086 0.000 1.355 360 N HN 0.429 nan 8.380 nan 0.000 0.495 361 M N 1.754 121.244 119.600 -0.183 0.000 2.435 361 M HA -0.110 4.370 4.480 -0.001 0.000 0.262 361 M C 1.424 177.680 176.300 -0.075 0.000 1.065 361 M CA 1.028 56.234 55.300 -0.157 0.000 1.076 361 M CB -0.576 31.951 32.600 -0.121 0.000 1.403 361 M HN 0.513 nan 8.290 nan 0.000 0.454 362 E N 0.146 120.317 120.200 -0.050 0.000 2.047 362 E HA -0.140 4.210 4.350 -0.001 0.000 0.191 362 E C 2.020 178.630 176.600 0.016 0.000 0.987 362 E CA 0.922 57.310 56.400 -0.019 0.000 0.799 362 E CB 0.071 29.761 29.700 -0.016 0.000 0.752 362 E HN 0.313 nan 8.360 nan 0.000 0.449 363 I N 0.887 121.491 120.570 0.057 0.000 2.226 363 I HA -0.223 3.947 4.170 -0.001 0.000 0.245 363 I C 2.418 178.690 176.117 0.259 0.000 1.100 363 I CA 0.944 62.369 61.300 0.209 0.000 1.374 363 I CB -1.281 36.835 38.000 0.193 0.000 1.057 363 I HN 0.027 nan 8.210 nan 0.000 0.413 364 V N 2.094 122.064 119.914 0.092 0.000 2.231 364 V HA -0.359 3.761 4.120 -0.001 0.000 0.250 364 V C 2.172 178.339 176.094 0.120 0.000 1.058 364 V CA 2.720 65.050 62.300 0.049 0.000 1.022 364 V CB -1.248 30.459 31.823 -0.193 0.000 0.640 364 V HN 0.484 nan 8.190 nan 0.000 0.445 365 N N -0.461 118.277 118.700 0.063 0.000 2.188 365 N HA -0.167 4.573 4.740 -0.001 0.000 0.184 365 N C 2.018 177.548 175.510 0.033 0.000 1.018 365 N CA 1.033 54.123 53.050 0.066 0.000 0.858 365 N CB -0.267 38.241 38.487 0.034 0.000 0.989 365 N HN 0.396 nan 8.380 nan 0.000 0.426 366 R N 0.190 120.664 120.500 -0.042 0.000 2.115 366 R HA -0.093 4.247 4.340 -0.001 0.000 0.230 366 R C 0.485 176.590 176.300 -0.326 0.000 1.111 366 R CA 1.272 57.219 56.100 -0.256 0.000 0.976 366 R CB 0.009 30.028 30.300 -0.468 0.000 0.870 366 R HN 0.339 nan 8.270 nan 0.000 0.445 367 Y N 0.553 120.967 120.300 0.191 0.000 2.607 367 Y HA 0.232 4.781 4.550 -0.000 0.000 0.266 367 Y C -0.057 176.034 175.900 0.318 0.000 1.178 367 Y CA -0.531 57.750 58.100 0.301 0.000 1.226 367 Y CB 0.178 38.909 38.460 0.451 0.000 1.144 367 Y HN -0.143 nan 8.280 nan 0.000 0.528 368 K N 1.204 121.788 120.400 0.306 0.000 2.511 368 K HA -0.185 4.134 4.320 -0.001 0.000 0.277 368 K C -0.312 176.474 176.600 0.311 0.000 1.025 368 K CA -0.006 56.437 56.287 0.260 0.000 1.112 368 K CB 0.223 32.816 32.500 0.155 0.000 0.859 368 K HN 0.367 nan 8.250 nan 0.000 0.485 369 W N 6.265 127.622 121.300 0.095 0.000 2.251 369 W HA -0.005 4.654 4.660 -0.001 0.000 0.327 369 W C 0.582 177.069 176.519 -0.053 0.000 1.361 369 W CA -0.393 56.975 57.345 0.038 0.000 1.234 369 W CB 0.381 29.833 29.460 -0.012 0.000 1.212 369 W HN 0.709 nan 8.180 nan 0.000 0.557 370 D N 3.014 123.172 120.400 -0.404 0.000 2.352 370 D HA 0.051 4.690 4.640 -0.001 0.000 0.232 370 D C 1.677 177.378 176.300 -0.997 0.000 1.055 370 D CA 0.657 54.334 54.000 -0.538 0.000 0.891 370 D CB -0.431 40.184 40.800 -0.308 0.000 0.897 370 D HN 0.758 nan 8.370 nan 0.000 0.529 371 G N -0.177 107.306 108.800 -2.195 0.000 2.162 371 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.260 371 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.260 371 G C 0.311 174.483 174.900 -1.214 0.000 0.976 371 G CA 0.597 44.348 45.100 -2.248 0.000 0.655 371 G HN 0.951 nan 8.290 nan 0.000 0.533 372 S N -0.438 114.804 115.700 -0.764 0.000 2.565 372 S HA 0.841 5.310 4.470 -0.001 0.000 0.290 372 S C 0.207 174.888 174.600 0.136 0.000 1.150 372 S CA 0.374 58.449 58.200 -0.209 0.000 1.058 372 S CB 2.235 65.319 63.200 -0.193 0.000 1.032 372 S HN 1.841 nan 8.310 nan 0.000 0.510 373 A N 2.569 125.496 122.820 0.178 0.000 2.328 373 A HA 0.411 4.730 4.320 -0.001 0.000 0.284 373 A C 0.484 178.193 177.584 0.208 0.000 1.160 373 A CA -0.692 51.505 52.037 0.268 0.000 0.818 373 A CB -0.367 18.864 19.000 0.386 0.000 1.087 373 A HN 1.114 nan 8.150 nan 0.000 0.504 374 Y N 1.888 122.234 120.300 0.077 0.000 2.228 374 Y HA -0.202 4.347 4.550 -0.001 0.000 0.285 374 Y C 0.937 176.959 175.900 0.203 0.000 1.178 374 Y CA 2.469 60.640 58.100 0.119 0.000 1.202 374 Y CB 0.207 38.772 38.460 0.174 0.000 0.974 374 Y HN 0.778 nan 8.280 nan 0.000 0.527 375 E N 0.000 120.411 120.200 0.352 0.000 2.725 375 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 375 E CA 0.000 56.519 56.400 0.199 0.000 0.976 375 E CB 0.000 29.797 29.700 0.161 0.000 0.812 375 E HN 0.000 nan 8.360 nan 0.000 0.440