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 2q3e_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFEIKKICCI GAGYVGGPTC SVIAHMCPEI RVTVVDVNES RINAWNSPTL DATA SEQUENCE PIYEPGLKEV VESCRGKNLF FSTNIDDAIK EADLVFISVN TPTKTYGMGK DATA SEQUENCE GRAADLKYIE ACARRIVQNS NGYKIVTEKS TVPVRAAESI RRIFDANTKP DATA SEQUENCE NLNLQVLSNP EFLAEGTAIK DLKNPDRVLI GGDETPEGQR AVQALCAVYE DATA SEQUENCE HWVPREKILT TNTWSSELSK LAANAFLAQR ISSINSISAL CEATGADVEE DATA SEQUENCE VATAIGMDQR IGNKFLKASV GFGGSCFQKD VLNLVYLCEA LNLPEVARYW DATA SEQUENCE QQVIDMNDYQ RRRFASRIID SLFNTVTDKK IAILGFAFKK DTGDTRESSS DATA SEQUENCE IYISKYLMDE GAHLHIYDPK VPREQIVVDL SHXXXXXXDQ VSRLVTISKD DATA SEQUENCE PYEACDGAHA VVICTEWDMF KELDYERIHK KMLKPAFIFD GRRVLDGLHN DATA SEQUENCE ELQTIGFQIE TIGKKV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.348 176.300 0.080 0.000 1.140 1 M CA 0.000 55.331 55.300 0.052 0.000 0.988 1 M CB 0.000 32.619 32.600 0.031 0.000 1.302 2 F N 3.952 123.884 119.950 -0.029 0.000 2.578 2 F HA 0.244 4.771 4.527 -0.000 0.000 0.381 2 F C 0.259 176.068 175.800 0.016 0.000 1.069 2 F CA 0.705 58.693 58.000 -0.021 0.000 1.231 2 F CB 0.415 39.398 39.000 -0.028 0.000 1.086 2 F HN 0.583 nan 8.300 nan 0.000 0.564 3 E N 7.206 126.984 120.200 -0.704 0.000 2.115 3 E HA 0.263 4.613 4.350 -0.000 0.000 0.282 3 E C -0.569 175.536 176.600 -0.826 0.000 0.987 3 E CA -0.678 55.393 56.400 -0.548 0.000 0.797 3 E CB 0.676 30.195 29.700 -0.302 0.000 1.086 3 E HN 0.614 nan 8.360 nan 0.000 0.397 4 I N 5.269 125.595 120.570 -0.406 0.000 2.517 4 I HA -0.001 4.169 4.170 -0.000 0.000 0.285 4 I C 1.166 177.190 176.117 -0.155 0.000 1.106 4 I CA 0.550 61.734 61.300 -0.194 0.000 1.402 4 I CB 0.567 38.555 38.000 -0.020 0.000 1.399 4 I HN 0.501 nan 8.210 nan 0.000 0.535 5 K N 5.077 125.400 120.400 -0.129 0.000 2.450 5 K HA 0.270 4.590 4.320 -0.000 0.000 0.206 5 K C -0.118 176.450 176.600 -0.054 0.000 1.148 5 K CA 0.007 56.241 56.287 -0.089 0.000 1.014 5 K CB 0.780 33.223 32.500 -0.095 0.000 0.966 5 K HN 0.447 nan 8.250 nan 0.000 0.566 6 K N 1.478 121.854 120.400 -0.040 0.000 2.471 6 K HA 0.468 4.787 4.320 -0.000 0.000 0.252 6 K C -1.078 175.503 176.600 -0.032 0.000 0.938 6 K CA -0.396 55.872 56.287 -0.032 0.000 0.796 6 K CB 2.414 34.895 32.500 -0.032 0.000 1.161 6 K HN -0.093 nan 8.250 nan 0.000 0.425 7 I N 2.145 122.698 120.570 -0.028 0.000 2.433 7 I HA 0.278 4.448 4.170 -0.000 0.000 0.292 7 I C -0.536 175.578 176.117 -0.005 0.000 1.001 7 I CA -0.992 60.292 61.300 -0.026 0.000 1.119 7 I CB 1.756 39.768 38.000 0.019 0.000 1.289 7 I HN 0.617 nan 8.210 nan 0.000 0.438 8 C N 6.550 125.844 119.300 -0.010 0.000 2.329 8 C HA 0.665 5.124 4.460 -0.000 0.000 0.329 8 C C -0.129 174.910 174.990 0.082 0.000 1.275 8 C CA -0.546 58.479 59.018 0.012 0.000 1.726 8 C CB 0.429 28.164 27.740 -0.008 0.000 2.291 8 C HN 0.946 nan 8.230 nan 0.000 0.514 9 C N 8.144 127.494 119.300 0.084 0.000 2.322 9 C HA 0.620 5.080 4.460 -0.000 0.000 0.324 9 C C -0.285 174.746 174.990 0.068 0.000 1.249 9 C CA -0.697 58.402 59.018 0.136 0.000 1.453 9 C CB -0.775 27.015 27.740 0.083 0.000 2.145 9 C HN 0.840 nan 8.230 nan 0.000 0.466 10 I N 6.353 126.979 120.570 0.093 0.000 2.301 10 I HA 0.544 4.713 4.170 -0.000 0.000 0.292 10 I C 0.856 177.016 176.117 0.071 0.000 1.046 10 I CA 0.754 62.100 61.300 0.075 0.000 1.282 10 I CB 0.575 38.626 38.000 0.085 0.000 1.409 10 I HN 1.065 nan 8.210 nan 0.000 0.484 11 G N 4.658 113.492 108.800 0.058 0.000 3.353 11 G HA2 0.134 4.093 3.960 -0.000 0.000 0.682 11 G HA3 0.134 4.093 3.960 -0.000 0.000 0.682 11 G C -0.396 174.533 174.900 0.048 0.000 1.192 11 G CA -0.389 44.744 45.100 0.056 0.000 1.111 11 G HN 0.922 nan 8.290 nan 0.000 0.493 12 A N 1.717 124.590 122.820 0.088 0.000 3.264 12 A HA 0.806 5.126 4.320 -0.000 0.000 0.299 12 A C 1.270 179.022 177.584 0.279 0.000 1.272 12 A CA 1.024 53.119 52.037 0.096 0.000 1.030 12 A CB -0.135 18.943 19.000 0.131 0.000 1.102 12 A HN 1.957 nan 8.150 nan 0.000 0.615 13 G N -1.272 107.647 108.800 0.199 0.000 2.782 13 G HA2 0.383 4.343 3.960 -0.000 0.000 0.201 13 G HA3 0.383 4.343 3.960 -0.000 0.000 0.201 13 G C 0.441 175.482 174.900 0.236 0.000 1.374 13 G CA -0.278 44.961 45.100 0.231 0.000 1.039 13 G HN 0.292 nan 8.290 nan 0.000 0.576 14 Y N -1.028 119.375 120.300 0.172 0.000 2.421 14 Y HA -0.027 4.523 4.550 -0.000 0.000 0.292 14 Y C 2.722 178.683 175.900 0.102 0.000 1.136 14 Y CA 0.772 58.963 58.100 0.151 0.000 1.255 14 Y CB 0.008 38.529 38.460 0.101 0.000 0.991 14 Y HN 0.057 nan 8.280 nan 0.000 0.552 15 V N -1.624 118.404 119.914 0.191 0.000 2.436 15 V HA -0.025 4.095 4.120 -0.000 0.000 0.240 15 V C 2.445 178.539 176.094 -0.001 0.000 1.040 15 V CA 1.497 63.840 62.300 0.072 0.000 1.052 15 V CB -1.095 30.742 31.823 0.023 0.000 0.707 15 V HN 0.396 nan 8.190 nan 0.000 0.469 16 G N 0.403 109.198 108.800 -0.009 0.000 2.421 16 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.216 16 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.216 16 G C 1.617 176.417 174.900 -0.167 0.000 1.171 16 G CA 1.114 46.160 45.100 -0.089 0.000 0.775 16 G HN 0.565 nan 8.290 nan 0.000 0.543 17 G N 1.695 110.375 108.800 -0.201 0.000 2.511 17 G HA2 -0.108 3.851 3.960 -0.000 0.000 0.216 17 G HA3 -0.108 3.851 3.960 -0.000 0.000 0.216 17 G C 0.096 174.869 174.900 -0.212 0.000 1.218 17 G CA 1.391 46.194 45.100 -0.495 0.000 0.788 17 G HN 0.412 nan 8.290 nan 0.000 0.560 18 P HA -0.098 nan 4.420 nan 0.000 0.215 18 P C 2.409 179.684 177.300 -0.043 0.000 1.157 18 P CA 2.592 65.700 63.100 0.013 0.000 0.868 18 P CB -0.444 31.300 31.700 0.075 0.000 0.788 19 T N -3.351 111.166 114.554 -0.061 0.000 2.684 19 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 19 T C 1.988 176.619 174.700 -0.115 0.000 1.036 19 T CA 1.615 63.668 62.100 -0.078 0.000 1.148 19 T CB -1.694 67.080 68.868 -0.158 0.000 0.863 19 T HN 0.062 nan 8.240 nan 0.000 0.436 20 C N 1.436 120.636 119.300 -0.168 0.000 2.440 20 C HA 0.059 4.519 4.460 -0.000 0.000 0.278 20 C C 3.414 178.302 174.990 -0.171 0.000 1.295 20 C CA 0.849 59.764 59.018 -0.173 0.000 1.738 20 C CB -1.362 26.236 27.740 -0.236 0.000 1.987 20 C HN 0.641 nan 8.230 nan 0.000 0.492 21 S N 0.913 116.519 115.700 -0.158 0.000 2.359 21 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 21 S C 1.878 176.406 174.600 -0.121 0.000 1.035 21 S CA 1.695 59.829 58.200 -0.109 0.000 1.018 21 S CB -0.392 62.785 63.200 -0.037 0.000 0.876 21 S HN 0.502 nan 8.310 nan 0.000 0.448 22 V N 1.867 121.689 119.914 -0.154 0.000 2.358 22 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 22 V C 2.053 177.902 176.094 -0.408 0.000 1.047 22 V CA 1.394 63.537 62.300 -0.261 0.000 1.035 22 V CB -0.672 31.000 31.823 -0.251 0.000 0.658 22 V HN 0.429 nan 8.190 nan 0.000 0.452 23 I N 0.584 120.977 120.570 -0.295 0.000 2.127 23 I HA -0.282 3.888 4.170 -0.000 0.000 0.241 23 I C 2.717 178.710 176.117 -0.207 0.000 1.075 23 I CA 1.674 62.825 61.300 -0.248 0.000 1.334 23 I CB -0.661 37.320 38.000 -0.032 0.000 1.040 23 I HN 0.290 nan 8.210 nan 0.000 0.405 24 A N 0.081 122.811 122.820 -0.150 0.000 1.883 24 A HA -0.341 3.978 4.320 -0.000 0.000 0.217 24 A C 2.198 179.716 177.584 -0.110 0.000 1.186 24 A CA 2.390 54.354 52.037 -0.121 0.000 0.624 24 A CB -1.155 17.772 19.000 -0.121 0.000 0.822 24 A HN 0.571 nan 8.150 nan 0.000 0.444 25 H N -1.136 117.813 119.070 -0.203 0.000 2.387 25 H HA -0.049 4.507 4.556 -0.000 0.000 0.299 25 H C 1.786 177.004 175.328 -0.185 0.000 1.090 25 H CA 2.134 58.073 56.048 -0.181 0.000 1.332 25 H CB -0.041 29.605 29.762 -0.195 0.000 1.386 25 H HN 0.337 nan 8.280 nan 0.000 0.516 26 M N -0.799 118.653 119.600 -0.246 0.000 2.510 26 M HA 0.107 4.587 4.480 -0.000 0.000 0.256 26 M C 0.278 176.536 176.300 -0.069 0.000 1.132 26 M CA 0.296 55.471 55.300 -0.207 0.000 1.105 26 M CB -0.169 32.178 32.600 -0.422 0.000 1.375 26 M HN 0.273 nan 8.290 nan 0.000 0.477 27 C N 2.463 121.676 119.300 -0.145 0.000 3.003 27 C HA 0.295 4.755 4.460 -0.000 0.000 0.241 27 C C -1.002 173.922 174.990 -0.110 0.000 1.224 27 C CA -1.001 57.914 59.018 -0.171 0.000 1.560 27 C CB 0.123 27.649 27.740 -0.357 0.000 1.768 27 C HN 0.251 nan 8.230 nan 0.000 0.440 28 P HA -0.163 nan 4.420 nan 0.000 0.222 28 P C 1.291 178.573 177.300 -0.030 0.000 1.147 28 P CA 1.586 64.653 63.100 -0.055 0.000 0.790 28 P CB 0.247 31.918 31.700 -0.049 0.000 0.780 29 E N 0.286 120.475 120.200 -0.018 0.000 2.489 29 E HA 0.013 4.363 4.350 -0.000 0.000 0.193 29 E C 0.450 177.032 176.600 -0.029 0.000 1.057 29 E CA 0.003 56.398 56.400 -0.010 0.000 0.866 29 E CB -0.357 29.352 29.700 0.016 0.000 0.916 29 E HN 0.310 nan 8.360 nan 0.000 0.500 30 I N 1.605 122.144 120.570 -0.051 0.000 2.412 30 I HA 0.327 4.497 4.170 -0.000 0.000 0.296 30 I C 0.364 176.467 176.117 -0.024 0.000 0.987 30 I CA -0.982 60.285 61.300 -0.055 0.000 1.180 30 I CB 1.780 39.725 38.000 -0.092 0.000 1.340 30 I HN -0.156 nan 8.210 nan 0.000 0.455 31 R N 5.615 126.112 120.500 -0.004 0.000 2.221 31 R HA 0.573 4.913 4.340 -0.000 0.000 0.327 31 R C -1.523 174.795 176.300 0.030 0.000 1.033 31 R CA -0.394 55.734 56.100 0.046 0.000 0.887 31 R CB 1.099 31.415 30.300 0.027 0.000 1.057 31 R HN 0.480 nan 8.270 nan 0.000 0.455 32 V N 3.950 123.893 119.914 0.048 0.000 2.409 32 V HA 0.333 4.453 4.120 -0.000 0.000 0.291 32 V C -0.328 175.753 176.094 -0.022 0.000 1.020 32 V CA -0.698 61.593 62.300 -0.015 0.000 0.848 32 V CB 1.815 33.594 31.823 -0.074 0.000 0.990 32 V HN 0.778 nan 8.190 nan 0.000 0.430 33 T N 4.352 118.880 114.554 -0.044 0.000 2.791 33 T HA 0.528 4.877 4.350 -0.000 0.000 0.288 33 T C -0.268 174.345 174.700 -0.146 0.000 0.999 33 T CA -0.399 61.658 62.100 -0.072 0.000 0.952 33 T CB 1.528 70.377 68.868 -0.031 0.000 0.938 33 T HN 0.373 nan 8.240 nan 0.000 0.444 34 V N 4.563 124.293 119.914 -0.307 0.000 2.407 34 V HA 0.666 4.786 4.120 -0.000 0.000 0.278 34 V C 0.406 176.448 176.094 -0.087 0.000 1.037 34 V CA -0.777 61.370 62.300 -0.254 0.000 0.900 34 V CB 0.985 32.522 31.823 -0.477 0.000 0.983 34 V HN 0.782 nan 8.190 nan 0.000 0.459 35 V N 0.785 120.692 119.914 -0.011 0.000 2.960 35 V HA 0.875 4.995 4.120 -0.000 0.000 0.315 35 V C -0.967 175.169 176.094 0.071 0.000 1.087 35 V CA -0.515 61.812 62.300 0.045 0.000 0.982 35 V CB 2.294 34.139 31.823 0.038 0.000 1.039 35 V HN 0.859 nan 8.190 nan 0.000 0.437 36 D N 0.034 120.489 120.400 0.091 0.000 2.663 36 D HA 0.287 4.927 4.640 -0.000 0.000 0.233 36 D C 0.448 176.801 176.300 0.089 0.000 1.240 36 D CA 0.144 54.202 54.000 0.096 0.000 0.774 36 D CB 2.667 43.545 40.800 0.130 0.000 1.443 36 D HN 0.756 nan 8.370 nan 0.000 0.441 37 V N 0.645 120.607 119.914 0.080 0.000 2.809 37 V HA 0.076 4.196 4.120 -0.000 0.000 0.256 37 V C 0.918 177.054 176.094 0.071 0.000 1.080 37 V CA 0.656 63.000 62.300 0.074 0.000 1.102 37 V CB -0.475 31.395 31.823 0.077 0.000 0.705 37 V HN 0.394 nan 8.190 nan 0.000 0.475 38 N N 1.906 120.651 118.700 0.075 0.000 2.402 38 N HA 0.021 4.761 4.740 -0.000 0.000 0.259 38 N C 0.990 176.547 175.510 0.078 0.000 1.167 38 N CA 0.507 53.598 53.050 0.069 0.000 0.949 38 N CB 0.857 39.383 38.487 0.065 0.000 1.212 38 N HN 0.660 nan 8.380 nan 0.000 0.493 39 E N 2.046 122.283 120.200 0.063 0.000 2.072 39 E HA -0.188 4.161 4.350 -0.000 0.000 0.191 39 E C 1.324 177.957 176.600 0.054 0.000 0.985 39 E CA 1.320 57.758 56.400 0.063 0.000 0.801 39 E CB 0.175 29.904 29.700 0.049 0.000 0.750 39 E HN 0.714 nan 8.360 nan 0.000 0.452 40 S N 0.358 116.077 115.700 0.033 0.000 2.402 40 S HA -0.191 4.279 4.470 -0.000 0.000 0.229 40 S C 2.069 176.664 174.600 -0.009 0.000 1.021 40 S CA 1.027 59.231 58.200 0.007 0.000 0.974 40 S CB -0.271 62.925 63.200 -0.006 0.000 0.800 40 S HN 0.237 nan 8.310 nan 0.000 0.484 41 R N 0.743 121.252 120.500 0.015 0.000 2.066 41 R HA 0.014 4.354 4.340 -0.000 0.000 0.232 41 R C 2.148 178.518 176.300 0.117 0.000 1.131 41 R CA 1.590 57.692 56.100 0.005 0.000 0.955 41 R CB -0.390 29.954 30.300 0.073 0.000 0.851 41 R HN 0.363 nan 8.270 nan 0.000 0.432 42 I N 2.076 122.776 120.570 0.218 0.000 2.208 42 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 42 I C 1.692 177.908 176.117 0.165 0.000 1.097 42 I CA 1.428 62.899 61.300 0.284 0.000 1.363 42 I CB -1.448 36.685 38.000 0.222 0.000 1.051 42 I HN 0.289 nan 8.210 nan 0.000 0.413 43 N N 1.238 119.986 118.700 0.080 0.000 2.104 43 N HA -0.126 4.614 4.740 -0.000 0.000 0.190 43 N C 1.933 177.428 175.510 -0.025 0.000 1.024 43 N CA 1.682 54.754 53.050 0.035 0.000 0.853 43 N CB -0.332 38.165 38.487 0.016 0.000 1.008 43 N HN 0.381 nan 8.380 nan 0.000 0.424 44 A N 0.089 122.850 122.820 -0.097 0.000 1.902 44 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 44 A C 2.089 179.501 177.584 -0.286 0.000 1.181 44 A CA 1.102 53.010 52.037 -0.216 0.000 0.623 44 A CB -1.168 17.639 19.000 -0.322 0.000 0.818 44 A HN 0.442 nan 8.150 nan 0.000 0.443 45 W N 0.259 121.358 121.300 -0.335 0.000 2.374 45 W HA -0.099 4.561 4.660 -0.000 0.000 0.288 45 W C 1.487 177.673 176.519 -0.555 0.000 1.218 45 W CA 0.879 57.819 57.345 -0.674 0.000 1.245 45 W CB -0.088 28.596 29.460 -1.294 0.000 1.126 45 W HN 0.292 nan 8.180 nan 0.000 0.545 46 N N -0.005 118.665 118.700 -0.051 0.000 2.322 46 N HA -0.005 4.735 4.740 -0.000 0.000 0.194 46 N C 0.306 175.816 175.510 -0.001 0.000 1.126 46 N CA 0.696 53.760 53.050 0.024 0.000 0.845 46 N CB -0.007 38.539 38.487 0.098 0.000 0.976 46 N HN 0.037 nan 8.380 nan 0.000 0.475 47 S N -0.459 115.213 115.700 -0.047 0.000 2.766 47 S HA 0.563 5.032 4.470 -0.000 0.000 0.307 47 S C -2.038 172.532 174.600 -0.051 0.000 1.121 47 S CA -1.097 57.075 58.200 -0.045 0.000 0.980 47 S CB 1.999 65.160 63.200 -0.065 0.000 1.159 47 S HN -0.229 nan 8.310 nan 0.000 0.546 48 P HA 0.166 nan 4.420 nan 0.000 0.233 48 P C -0.231 177.034 177.300 -0.058 0.000 1.167 48 P CA 0.715 63.792 63.100 -0.039 0.000 0.770 48 P CB -0.118 31.566 31.700 -0.027 0.000 0.837 49 T N 1.069 115.572 114.554 -0.086 0.000 2.912 49 T HA 0.355 4.704 4.350 -0.000 0.000 0.326 49 T C 0.132 174.716 174.700 -0.193 0.000 1.080 49 T CA -0.559 61.474 62.100 -0.111 0.000 1.000 49 T CB 0.335 69.146 68.868 -0.095 0.000 1.008 49 T HN -0.131 nan 8.240 nan 0.000 0.473 50 L N 4.871 125.952 121.223 -0.238 0.000 2.467 50 L HA 0.233 4.573 4.340 -0.000 0.000 0.270 50 L C -0.658 175.899 176.870 -0.522 0.000 1.205 50 L CA -1.652 52.912 54.840 -0.460 0.000 0.828 50 L CB 0.574 42.363 42.059 -0.449 0.000 1.101 50 L HN 0.363 nan 8.230 nan 0.000 0.479 51 P HA 0.018 nan 4.420 nan 0.000 0.241 51 P C -0.134 176.873 177.300 -0.490 0.000 1.191 51 P CA 0.923 63.656 63.100 -0.611 0.000 0.771 51 P CB 0.148 31.397 31.700 -0.752 0.000 0.929 52 I N -4.754 115.479 120.570 -0.562 0.000 2.934 52 I HA 0.556 4.726 4.170 -0.000 0.000 0.306 52 I C -1.478 174.563 176.117 -0.126 0.000 1.110 52 I CA -1.834 59.248 61.300 -0.364 0.000 1.019 52 I CB 2.305 39.869 38.000 -0.727 0.000 1.227 52 I HN -0.347 nan 8.210 nan 0.000 0.434 53 Y N 2.910 123.185 120.300 -0.041 0.000 2.342 53 Y HA 0.673 5.223 4.550 -0.000 0.000 0.338 53 Y C -0.944 175.006 175.900 0.084 0.000 0.965 53 Y CA -0.311 57.799 58.100 0.017 0.000 1.159 53 Y CB 1.115 39.608 38.460 0.055 0.000 1.157 53 Y HN 0.728 nan 8.280 nan 0.000 0.486 54 E N 8.134 127.926 120.200 -0.681 0.000 2.294 54 E HA 0.444 4.794 4.350 -0.000 0.000 0.272 54 E C -3.053 173.209 176.600 -0.564 0.000 0.896 54 E CA -2.766 53.347 56.400 -0.478 0.000 0.802 54 E CB 1.724 31.343 29.700 -0.135 0.000 1.267 54 E HN 0.338 nan 8.360 nan 0.000 0.406 55 P HA 0.175 nan 4.420 nan 0.000 0.262 55 P C 0.639 177.854 177.300 -0.141 0.000 1.182 55 P CA 1.285 64.225 63.100 -0.266 0.000 0.761 55 P CB 0.747 32.373 31.700 -0.122 0.000 0.795 56 G N 2.219 110.965 108.800 -0.091 0.000 2.205 56 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.261 56 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.261 56 G C 0.688 175.545 174.900 -0.071 0.000 0.980 56 G CA 0.369 45.429 45.100 -0.066 0.000 0.632 56 G HN 0.563 nan 8.290 nan 0.000 0.533 57 L N 1.085 122.263 121.223 -0.075 0.000 2.072 57 L HA 0.317 4.657 4.340 -0.000 0.000 0.205 57 L C 2.573 179.443 176.870 -0.000 0.000 1.079 57 L CA 3.064 57.885 54.840 -0.031 0.000 0.752 57 L CB -0.558 41.494 42.059 -0.012 0.000 0.906 57 L HN 0.353 nan 8.230 nan 0.000 0.436 58 K N -0.437 119.958 120.400 -0.009 0.000 2.063 58 K HA -0.250 4.070 4.320 -0.000 0.000 0.208 58 K C 1.879 178.480 176.600 0.002 0.000 1.048 58 K CA 2.019 58.310 56.287 0.007 0.000 0.928 58 K CB -0.040 32.464 32.500 0.007 0.000 0.713 58 K HN 0.414 nan 8.250 nan 0.000 0.442 59 E N -0.049 120.140 120.200 -0.018 0.000 2.077 59 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 59 E C 1.926 178.496 176.600 -0.051 0.000 0.989 59 E CA 1.365 57.748 56.400 -0.029 0.000 0.800 59 E CB -0.003 29.674 29.700 -0.039 0.000 0.746 59 E HN 0.076 nan 8.360 nan 0.000 0.452 60 V N 0.297 120.157 119.914 -0.090 0.000 2.307 60 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 60 V C 2.223 178.297 176.094 -0.032 0.000 1.045 60 V CA 1.253 63.464 62.300 -0.148 0.000 1.024 60 V CB -0.428 31.272 31.823 -0.205 0.000 0.651 60 V HN 0.138 nan 8.190 nan 0.000 0.449 61 V N 0.097 120.026 119.914 0.025 0.000 2.287 61 V HA -0.287 3.832 4.120 -0.000 0.000 0.248 61 V C 2.424 178.555 176.094 0.061 0.000 1.053 61 V CA 2.201 64.555 62.300 0.090 0.000 1.027 61 V CB -0.682 31.240 31.823 0.166 0.000 0.646 61 V HN 0.617 nan 8.190 nan 0.000 0.447 62 E N 0.529 120.751 120.200 0.038 0.000 2.204 62 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 62 E C 2.302 178.915 176.600 0.021 0.000 0.989 62 E CA 1.359 57.774 56.400 0.024 0.000 0.824 62 E CB -0.208 29.502 29.700 0.017 0.000 0.756 62 E HN 0.772 nan 8.360 nan 0.000 0.477 63 S N 0.117 115.838 115.700 0.035 0.000 2.423 63 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 63 S C 2.045 176.667 174.600 0.035 0.000 1.014 63 S CA 1.082 59.319 58.200 0.063 0.000 0.965 63 S CB -0.315 62.982 63.200 0.160 0.000 0.785 63 S HN 0.497 nan 8.310 nan 0.000 0.495 64 C N -0.903 118.401 119.300 0.007 0.000 3.911 64 C HA 0.519 4.979 4.460 -0.000 0.000 0.318 64 C C 0.645 175.549 174.990 -0.144 0.000 1.643 64 C CA -1.151 57.833 59.018 -0.057 0.000 1.845 64 C CB -1.368 26.340 27.740 -0.054 0.000 2.981 64 C HN 0.462 nan 8.230 nan 0.000 0.656 65 R N 1.682 122.120 120.500 -0.103 0.000 2.522 65 R HA 0.423 4.763 4.340 -0.000 0.000 0.284 65 R C 1.508 177.654 176.300 -0.256 0.000 1.032 65 R CA 1.717 57.717 56.100 -0.165 0.000 1.049 65 R CB 0.016 30.333 30.300 0.028 0.000 0.956 65 R HN 1.054 nan 8.270 nan 0.000 0.422 66 G N 2.958 111.420 108.800 -0.564 0.000 2.205 66 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.261 66 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.261 66 G C 0.676 175.415 174.900 -0.268 0.000 0.980 66 G CA 0.688 45.543 45.100 -0.409 0.000 0.632 66 G HN 0.650 nan 8.290 nan 0.000 0.533 67 K N 0.244 120.453 120.400 -0.319 0.000 2.230 67 K HA 0.086 4.406 4.320 -0.000 0.000 0.219 67 K C 1.627 178.222 176.600 -0.007 0.000 1.033 67 K CA 0.814 57.051 56.287 -0.084 0.000 0.937 67 K CB -0.042 32.414 32.500 -0.073 0.000 1.018 67 K HN 0.366 nan 8.250 nan 0.000 0.463 68 N N 0.769 119.404 118.700 -0.108 0.000 2.241 68 N HA 0.065 4.805 4.740 -0.000 0.000 0.238 68 N C -0.828 174.624 175.510 -0.097 0.000 1.244 68 N CA -0.274 52.799 53.050 0.038 0.000 0.880 68 N CB 0.427 38.925 38.487 0.019 0.000 1.179 68 N HN 0.078 nan 8.380 nan 0.000 0.513 69 L N 0.629 121.570 121.223 -0.470 0.000 2.381 69 L HA 0.693 5.033 4.340 -0.000 0.000 0.274 69 L C -1.866 174.472 176.870 -0.887 0.000 0.988 69 L CA -0.605 53.945 54.840 -0.484 0.000 0.824 69 L CB 1.077 42.934 42.059 -0.336 0.000 1.263 69 L HN -0.044 nan 8.230 nan 0.000 0.410 70 F N 4.484 124.217 119.950 -0.362 0.000 2.588 70 F HA 0.612 5.139 4.527 -0.000 0.000 0.310 70 F C -0.898 174.598 175.800 -0.505 0.000 1.082 70 F CA -0.397 57.450 58.000 -0.256 0.000 0.929 70 F CB 2.009 40.932 39.000 -0.127 0.000 1.254 70 F HN 0.185 nan 8.300 nan 0.000 0.455 71 F N 1.342 121.356 119.950 0.107 0.000 2.493 71 F HA 0.647 5.173 4.527 -0.000 0.000 0.329 71 F C 0.025 175.877 175.800 0.087 0.000 1.126 71 F CA -0.615 57.405 58.000 0.034 0.000 0.937 71 F CB 2.161 41.173 39.000 0.020 0.000 1.146 71 F HN 0.353 nan 8.300 nan 0.000 0.442 72 S N 0.229 116.053 115.700 0.207 0.000 2.537 72 S HA 0.387 4.857 4.470 -0.000 0.000 0.270 72 S C 0.350 175.020 174.600 0.115 0.000 1.142 72 S CA -0.238 58.049 58.200 0.145 0.000 0.870 72 S CB 1.382 64.638 63.200 0.093 0.000 1.112 72 S HN 0.746 nan 8.310 nan 0.000 0.466 73 T N 0.262 114.876 114.554 0.099 0.000 3.129 73 T HA 0.148 4.498 4.350 -0.000 0.000 0.251 73 T C 0.583 175.317 174.700 0.057 0.000 1.117 73 T CA 0.151 62.298 62.100 0.079 0.000 1.034 73 T CB -0.440 68.473 68.868 0.074 0.000 0.968 73 T HN 0.402 nan 8.240 nan 0.000 0.526 74 N N 1.509 120.237 118.700 0.047 0.000 2.895 74 N HA 0.241 4.981 4.740 -0.000 0.000 0.277 74 N C 0.734 176.257 175.510 0.022 0.000 1.185 74 N CA -0.531 52.536 53.050 0.028 0.000 1.106 74 N CB -0.650 37.847 38.487 0.016 0.000 1.422 74 N HN 0.421 nan 8.380 nan 0.000 0.521 75 I N 0.552 121.139 120.570 0.029 0.000 2.226 75 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 75 I C 1.360 177.486 176.117 0.015 0.000 1.100 75 I CA 0.846 62.163 61.300 0.028 0.000 1.374 75 I CB 0.020 38.044 38.000 0.040 0.000 1.057 75 I HN 0.304 nan 8.210 nan 0.000 0.413 76 D N 1.007 121.414 120.400 0.012 0.000 2.092 76 D HA -0.196 4.443 4.640 -0.000 0.000 0.193 76 D C 1.800 178.095 176.300 -0.009 0.000 0.994 76 D CA 1.440 55.441 54.000 0.003 0.000 0.828 76 D CB -0.445 40.358 40.800 0.005 0.000 0.963 76 D HN 0.281 nan 8.370 nan 0.000 0.450 77 D N 0.221 120.614 120.400 -0.012 0.000 2.144 77 D HA -0.052 4.588 4.640 -0.000 0.000 0.200 77 D C 2.009 178.289 176.300 -0.034 0.000 0.978 77 D CA 1.160 55.145 54.000 -0.025 0.000 0.833 77 D CB -0.313 40.468 40.800 -0.030 0.000 0.961 77 D HN 0.137 nan 8.370 nan 0.000 0.470 78 A N 0.639 123.442 122.820 -0.029 0.000 1.902 78 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 78 A C 2.359 179.925 177.584 -0.029 0.000 1.181 78 A CA 0.945 52.962 52.037 -0.033 0.000 0.623 78 A CB -0.692 18.295 19.000 -0.022 0.000 0.818 78 A HN 0.196 nan 8.150 nan 0.000 0.443 79 I N -0.613 119.944 120.570 -0.021 0.000 2.202 79 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 79 I C 2.490 178.583 176.117 -0.041 0.000 1.091 79 I CA 1.606 62.889 61.300 -0.028 0.000 1.368 79 I CB -0.309 37.680 38.000 -0.018 0.000 1.058 79 I HN 0.277 nan 8.210 nan 0.000 0.410 80 K N 0.694 121.072 120.400 -0.036 0.000 2.044 80 K HA -0.231 4.089 4.320 -0.000 0.000 0.210 80 K C 1.904 178.483 176.600 -0.035 0.000 1.049 80 K CA 1.745 58.009 56.287 -0.037 0.000 0.927 80 K CB -0.176 32.306 32.500 -0.031 0.000 0.713 80 K HN 0.403 nan 8.250 nan 0.000 0.443 81 E N 0.160 120.338 120.200 -0.036 0.000 2.358 81 E HA 0.021 4.370 4.350 -0.000 0.000 0.195 81 E C 0.135 176.719 176.600 -0.027 0.000 1.010 81 E CA -0.175 56.204 56.400 -0.034 0.000 0.856 81 E CB 0.286 29.956 29.700 -0.049 0.000 0.795 81 E HN 0.235 nan 8.360 nan 0.000 0.504 82 A N 1.357 124.157 122.820 -0.033 0.000 2.371 82 A HA 0.048 4.368 4.320 -0.000 0.000 0.257 82 A C 0.418 177.993 177.584 -0.016 0.000 1.089 82 A CA -0.377 51.641 52.037 -0.033 0.000 0.794 82 A CB 0.478 19.448 19.000 -0.049 0.000 1.029 82 A HN -0.030 nan 8.150 nan 0.000 0.488 83 D N 0.313 120.724 120.400 0.018 0.000 2.216 83 D HA 0.069 4.709 4.640 -0.000 0.000 0.208 83 D C 0.166 176.456 176.300 -0.018 0.000 0.960 83 D CA 1.037 55.096 54.000 0.097 0.000 0.861 83 D CB 0.204 41.154 40.800 0.250 0.000 0.985 83 D HN 0.418 nan 8.370 nan 0.000 0.493 84 L N 0.949 122.125 121.223 -0.078 0.000 2.410 84 L HA 0.370 4.710 4.340 -0.000 0.000 0.270 84 L C -1.516 175.215 176.870 -0.231 0.000 0.983 84 L CA -0.572 54.148 54.840 -0.199 0.000 0.822 84 L CB 2.398 44.298 42.059 -0.265 0.000 1.285 84 L HN -0.364 nan 8.230 nan 0.000 0.409 85 V N 5.093 124.868 119.914 -0.232 0.000 2.378 85 V HA 0.391 4.511 4.120 -0.000 0.000 0.288 85 V C -0.417 175.586 176.094 -0.153 0.000 1.016 85 V CA -0.371 61.845 62.300 -0.139 0.000 0.840 85 V CB 1.123 32.913 31.823 -0.056 0.000 0.994 85 V HN 0.482 nan 8.190 nan 0.000 0.431 86 F N 4.742 124.697 119.950 0.009 0.000 2.427 86 F HA 0.485 5.012 4.527 -0.000 0.000 0.352 86 F C 0.498 176.314 175.800 0.027 0.000 1.100 86 F CA -0.459 57.553 58.000 0.020 0.000 1.191 86 F CB 0.886 39.895 39.000 0.015 0.000 1.128 86 F HN 0.283 nan 8.300 nan 0.000 0.533 87 I N 2.840 123.556 120.570 0.244 0.000 2.307 87 I HA 0.203 4.373 4.170 -0.000 0.000 0.289 87 I C 0.136 176.337 176.117 0.139 0.000 1.021 87 I CA 0.158 61.553 61.300 0.158 0.000 1.224 87 I CB 0.844 38.917 38.000 0.121 0.000 1.376 87 I HN 0.508 nan 8.210 nan 0.000 0.470 88 S N 4.792 120.554 115.700 0.104 0.000 2.835 88 S HA 0.157 4.627 4.470 -0.000 0.000 0.248 88 S C 0.026 174.655 174.600 0.049 0.000 1.070 88 S CA -0.520 57.714 58.200 0.057 0.000 1.090 88 S CB 0.364 63.575 63.200 0.017 0.000 0.978 88 S HN 0.479 nan 8.310 nan 0.000 0.510 89 V N 0.799 120.750 119.914 0.061 0.000 3.170 89 V HA 0.569 4.689 4.120 -0.000 0.000 0.309 89 V C 0.114 176.223 176.094 0.024 0.000 1.071 89 V CA -1.229 61.095 62.300 0.040 0.000 1.063 89 V CB 0.495 32.365 31.823 0.078 0.000 1.123 89 V HN 0.508 nan 8.190 nan 0.000 0.464 90 N N 1.260 119.931 118.700 -0.048 0.000 2.479 90 N HA 0.153 4.892 4.740 -0.000 0.000 0.257 90 N C 0.083 175.631 175.510 0.064 0.000 1.232 90 N CA 0.334 53.360 53.050 -0.039 0.000 0.920 90 N CB 0.809 39.218 38.487 -0.131 0.000 1.105 90 N HN 1.049 nan 8.380 nan 0.000 0.444 91 T N -3.022 111.573 114.554 0.069 0.000 3.504 91 T HA 0.316 4.666 4.350 -0.000 0.000 0.286 91 T C -2.650 172.093 174.700 0.072 0.000 1.530 91 T CA -1.413 60.745 62.100 0.098 0.000 1.652 91 T CB 0.605 69.512 68.868 0.064 0.000 0.895 91 T HN 0.391 nan 8.240 nan 0.000 0.674 92 P HA 0.233 nan 4.420 nan 0.000 0.274 92 P C 0.006 177.326 177.300 0.034 0.000 1.237 92 P CA -0.073 63.066 63.100 0.066 0.000 0.793 92 P CB 0.534 32.295 31.700 0.103 0.000 0.977 93 T N 2.029 116.588 114.554 0.009 0.000 2.908 93 T HA 0.026 4.376 4.350 -0.000 0.000 0.301 93 T C 0.611 175.269 174.700 -0.069 0.000 1.019 93 T CA 0.085 62.163 62.100 -0.038 0.000 1.152 93 T CB -0.185 68.671 68.868 -0.020 0.000 0.966 93 T HN 0.243 nan 8.240 nan 0.000 0.540 94 K N 2.413 122.703 120.400 -0.183 0.000 2.484 94 K HA 0.059 4.378 4.320 -0.000 0.000 0.280 94 K C 1.301 177.744 176.600 -0.261 0.000 1.013 94 K CA 0.104 56.174 56.287 -0.361 0.000 1.029 94 K CB 0.312 32.459 32.500 -0.587 0.000 0.902 94 K HN 0.738 nan 8.250 nan 0.000 0.481 95 T N 0.187 114.656 114.554 -0.142 0.000 3.214 95 T HA 0.177 4.527 4.350 -0.000 0.000 0.264 95 T C -0.487 174.305 174.700 0.153 0.000 1.012 95 T CA -0.480 61.652 62.100 0.052 0.000 0.901 95 T CB -0.566 68.394 68.868 0.153 0.000 1.070 95 T HN 0.582 nan 8.240 nan 0.000 0.561 96 Y N -3.037 117.255 120.300 -0.012 0.000 2.662 96 Y HA 0.634 5.184 4.550 -0.000 0.000 0.334 96 Y C 0.485 176.375 175.900 -0.018 0.000 1.185 96 Y CA -1.168 56.926 58.100 -0.010 0.000 1.074 96 Y CB 0.636 39.090 38.460 -0.009 0.000 1.330 96 Y HN 0.405 nan 8.280 nan 0.000 0.458 97 G N 1.638 110.524 108.800 0.144 0.000 2.569 97 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.259 97 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.259 97 G C -0.530 174.359 174.900 -0.018 0.000 1.263 97 G CA -0.207 44.942 45.100 0.082 0.000 0.928 97 G HN 0.802 nan 8.290 nan 0.000 0.572 98 M N 1.782 121.369 119.600 -0.021 0.000 2.238 98 M HA 0.385 4.865 4.480 -0.000 0.000 0.350 98 M C 1.667 177.904 176.300 -0.104 0.000 1.321 98 M CA 1.429 56.722 55.300 -0.012 0.000 1.097 98 M CB -0.482 32.137 32.600 0.031 0.000 1.713 98 M HN 2.477 nan 8.290 nan 0.000 0.455 99 G N 2.918 111.685 108.800 -0.053 0.000 2.153 99 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.252 99 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.252 99 G C 0.323 175.080 174.900 -0.239 0.000 0.994 99 G CA 0.551 45.520 45.100 -0.219 0.000 0.698 99 G HN 0.759 nan 8.290 nan 0.000 0.521 100 K N 0.238 120.549 120.400 -0.150 0.000 2.504 100 K HA 0.319 4.639 4.320 -0.000 0.000 0.278 100 K C 1.674 178.227 176.600 -0.078 0.000 1.025 100 K CA 1.375 57.585 56.287 -0.129 0.000 1.093 100 K CB -0.479 31.991 32.500 -0.049 0.000 0.873 100 K HN 1.562 nan 8.250 nan 0.000 0.483 101 G N 3.662 112.414 108.800 -0.080 0.000 2.179 101 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.260 101 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.260 101 G C 0.620 175.505 174.900 -0.025 0.000 0.977 101 G CA 0.646 45.729 45.100 -0.028 0.000 0.641 101 G HN 0.759 nan 8.290 nan 0.000 0.533 102 R N -0.587 119.863 120.500 -0.084 0.000 3.372 102 R HA 0.554 4.893 4.340 -0.000 0.000 0.150 102 R C 1.367 177.553 176.300 -0.191 0.000 0.739 102 R CA 0.284 56.349 56.100 -0.059 0.000 1.041 102 R CB -0.143 30.188 30.300 0.052 0.000 1.530 102 R HN 0.658 nan 8.270 nan 0.000 0.534 103 A N 1.845 124.362 122.820 -0.505 0.000 2.386 103 A HA 0.603 4.923 4.320 -0.000 0.000 0.248 103 A C 0.116 177.509 177.584 -0.319 0.000 1.082 103 A CA -0.035 51.591 52.037 -0.686 0.000 0.789 103 A CB 0.246 18.588 19.000 -1.097 0.000 1.025 103 A HN 0.406 nan 8.150 nan 0.000 0.490 104 A N 1.346 124.046 122.820 -0.200 0.000 2.425 104 A HA 0.432 4.752 4.320 -0.000 0.000 0.249 104 A C 0.029 177.544 177.584 -0.115 0.000 1.084 104 A CA -0.173 51.804 52.037 -0.100 0.000 0.781 104 A CB 0.076 19.057 19.000 -0.031 0.000 1.019 104 A HN 0.786 nan 8.150 nan 0.000 0.490 105 D N 2.214 122.576 120.400 -0.064 0.000 2.347 105 D HA 0.337 4.977 4.640 -0.000 0.000 0.235 105 D C 0.317 176.627 176.300 0.018 0.000 1.149 105 D CA -0.052 53.919 54.000 -0.047 0.000 0.850 105 D CB 0.588 41.391 40.800 0.005 0.000 1.061 105 D HN 0.412 nan 8.370 nan 0.000 0.487 106 L N 4.104 125.320 121.223 -0.012 0.000 2.653 106 L HA 0.090 4.430 4.340 -0.000 0.000 0.231 106 L C 2.240 179.097 176.870 -0.022 0.000 1.153 106 L CA -0.147 54.699 54.840 0.010 0.000 0.933 106 L CB -0.039 42.021 42.059 0.001 0.000 1.175 106 L HN 0.368 nan 8.230 nan 0.000 0.473 107 K N -0.231 120.102 120.400 -0.111 0.000 2.097 107 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 107 K C 1.532 177.998 176.600 -0.222 0.000 1.049 107 K CA 1.566 57.725 56.287 -0.213 0.000 0.933 107 K CB -0.415 31.885 32.500 -0.334 0.000 0.717 107 K HN 0.170 nan 8.250 nan 0.000 0.442 108 Y N 1.594 121.923 120.300 0.049 0.000 2.263 108 Y HA -0.023 4.527 4.550 -0.000 0.000 0.292 108 Y C 2.358 178.284 175.900 0.043 0.000 1.130 108 Y CA 0.381 58.509 58.100 0.048 0.000 1.179 108 Y CB -0.198 38.293 38.460 0.052 0.000 0.998 108 Y HN -0.047 nan 8.280 nan 0.000 0.532 109 I N 0.377 121.044 120.570 0.163 0.000 2.142 109 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 109 I C 2.408 178.561 176.117 0.059 0.000 1.078 109 I CA 1.870 63.230 61.300 0.099 0.000 1.343 109 I CB -1.063 36.977 38.000 0.066 0.000 1.046 109 I HN 0.269 nan 8.210 nan 0.000 0.405 110 E N 1.518 121.736 120.200 0.029 0.000 2.085 110 E HA -0.216 4.133 4.350 -0.000 0.000 0.194 110 E C 2.211 178.831 176.600 0.034 0.000 0.994 110 E CA 1.908 58.315 56.400 0.012 0.000 0.801 110 E CB -0.128 29.567 29.700 -0.007 0.000 0.743 110 E HN 0.402 nan 8.360 nan 0.000 0.453 111 A N 0.077 122.923 122.820 0.043 0.000 1.940 111 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 111 A C 2.543 180.177 177.584 0.083 0.000 1.176 111 A CA 1.556 53.629 52.037 0.060 0.000 0.631 111 A CB -1.057 17.988 19.000 0.075 0.000 0.814 111 A HN 0.556 nan 8.150 nan 0.000 0.446 112 C N -1.213 118.146 119.300 0.098 0.000 2.432 112 C HA 0.057 4.517 4.460 -0.000 0.000 0.277 112 C C 3.346 178.410 174.990 0.123 0.000 1.249 112 C CA 0.795 59.877 59.018 0.107 0.000 1.725 112 C CB -1.350 26.457 27.740 0.111 0.000 2.028 112 C HN 0.717 nan 8.230 nan 0.000 0.477 113 A N 0.662 123.550 122.820 0.113 0.000 1.908 113 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 113 A C 2.265 179.990 177.584 0.234 0.000 1.181 113 A CA 1.502 53.638 52.037 0.166 0.000 0.627 113 A CB -0.439 18.552 19.000 -0.016 0.000 0.818 113 A HN 0.582 nan 8.150 nan 0.000 0.445 114 R N -0.817 119.763 120.500 0.132 0.000 2.075 114 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 114 R C 2.335 178.692 176.300 0.095 0.000 1.126 114 R CA 1.560 57.726 56.100 0.110 0.000 0.963 114 R CB -0.648 29.692 30.300 0.068 0.000 0.858 114 R HN 0.621 nan 8.270 nan 0.000 0.435 115 R N 0.703 121.254 120.500 0.085 0.000 2.096 115 R HA -0.023 4.317 4.340 -0.000 0.000 0.235 115 R C 2.342 178.673 176.300 0.051 0.000 1.127 115 R CA 1.091 57.228 56.100 0.062 0.000 0.968 115 R CB -0.217 30.120 30.300 0.062 0.000 0.861 115 R HN 0.143 nan 8.270 nan 0.000 0.440 116 I N -0.669 119.948 120.570 0.080 0.000 2.202 116 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 116 I C 2.255 178.335 176.117 -0.063 0.000 1.091 116 I CA 0.970 62.286 61.300 0.027 0.000 1.368 116 I CB -0.196 37.860 38.000 0.092 0.000 1.058 116 I HN 0.087 nan 8.210 nan 0.000 0.410 117 V N 0.288 120.192 119.914 -0.017 0.000 2.548 117 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 117 V C 2.336 178.402 176.094 -0.047 0.000 1.055 117 V CA 1.778 64.019 62.300 -0.098 0.000 1.065 117 V CB -0.247 31.598 31.823 0.037 0.000 0.681 117 V HN 0.457 nan 8.190 nan 0.000 0.462 118 Q N 0.014 119.814 119.800 -0.001 0.000 2.135 118 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 118 Q C 1.361 177.350 176.000 -0.019 0.000 0.981 118 Q CA 1.832 57.634 55.803 -0.002 0.000 0.856 118 Q CB -0.120 28.627 28.738 0.015 0.000 0.902 118 Q HN 0.629 nan 8.270 nan 0.000 0.425 119 N N -0.358 118.325 118.700 -0.029 0.000 2.238 119 N HA 0.122 4.862 4.740 -0.000 0.000 0.222 119 N C -0.832 174.643 175.510 -0.058 0.000 1.133 119 N CA 0.088 53.117 53.050 -0.034 0.000 0.854 119 N CB 1.193 39.667 38.487 -0.022 0.000 1.041 119 N HN -0.066 nan 8.380 nan 0.000 0.510 120 S N 0.722 116.370 115.700 -0.086 0.000 2.482 120 S HA 0.455 4.925 4.470 -0.000 0.000 0.303 120 S C -0.347 174.194 174.600 -0.098 0.000 1.091 120 S CA -0.758 57.374 58.200 -0.115 0.000 1.057 120 S CB 1.833 64.915 63.200 -0.196 0.000 1.031 120 S HN 0.144 nan 8.310 nan 0.000 0.485 121 N N 0.794 119.447 118.700 -0.078 0.000 2.262 121 N HA 0.662 5.401 4.740 -0.000 0.000 0.295 121 N C 0.376 175.857 175.510 -0.048 0.000 1.161 121 N CA 0.022 53.037 53.050 -0.058 0.000 0.767 121 N CB 2.079 40.545 38.487 -0.036 0.000 1.499 121 N HN 0.862 nan 8.380 nan 0.000 0.476 122 G N 0.735 109.516 108.800 -0.031 0.000 2.539 122 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.256 122 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.256 122 G C -0.978 173.927 174.900 0.008 0.000 1.233 122 G CA -0.074 45.028 45.100 0.003 0.000 0.936 122 G HN 0.590 nan 8.290 nan 0.000 0.571 123 Y N 2.620 122.853 120.300 -0.113 0.000 2.328 123 Y HA 0.701 5.250 4.550 -0.000 0.000 0.337 123 Y C 0.345 176.142 175.900 -0.171 0.000 1.008 123 Y CA -0.320 57.676 58.100 -0.174 0.000 1.129 123 Y CB 0.903 39.210 38.460 -0.254 0.000 1.185 123 Y HN 0.589 nan 8.280 nan 0.000 0.476 124 K N 6.837 126.803 120.400 -0.724 0.000 2.502 124 K HA 0.510 4.830 4.320 -0.000 0.000 0.257 124 K C -1.585 174.566 176.600 -0.747 0.000 0.938 124 K CA -0.882 55.024 56.287 -0.636 0.000 0.819 124 K CB 2.534 34.833 32.500 -0.334 0.000 1.333 124 K HN 0.608 nan 8.250 nan 0.000 0.434 125 I N 2.300 122.549 120.570 -0.534 0.000 2.321 125 I HA 0.224 4.393 4.170 -0.000 0.000 0.291 125 I C -0.498 175.488 176.117 -0.218 0.000 0.998 125 I CA -1.041 60.052 61.300 -0.345 0.000 1.227 125 I CB 1.450 39.308 38.000 -0.236 0.000 1.368 125 I HN 0.124 nan 8.210 nan 0.000 0.466 126 V N 5.531 125.377 119.914 -0.113 0.000 2.370 126 V HA 0.353 4.473 4.120 -0.000 0.000 0.283 126 V C 0.054 176.145 176.094 -0.005 0.000 1.023 126 V CA -0.278 62.011 62.300 -0.018 0.000 0.857 126 V CB 1.585 33.514 31.823 0.176 0.000 0.985 126 V HN 0.727 nan 8.190 nan 0.000 0.443 127 T N 4.357 118.890 114.554 -0.036 0.000 2.833 127 T HA 0.268 4.618 4.350 -0.000 0.000 0.297 127 T C -0.197 174.587 174.700 0.140 0.000 1.015 127 T CA -0.374 61.736 62.100 0.017 0.000 0.963 127 T CB 1.074 69.882 68.868 -0.100 0.000 0.955 127 T HN 0.786 nan 8.240 nan 0.000 0.449 128 E N 3.232 123.500 120.200 0.113 0.000 2.003 128 E HA 0.169 4.518 4.350 -0.000 0.000 0.279 128 E C 0.786 177.454 176.600 0.113 0.000 1.132 128 E CA -0.160 56.302 56.400 0.105 0.000 0.888 128 E CB 0.432 30.167 29.700 0.058 0.000 1.056 128 E HN 0.570 nan 8.360 nan 0.000 0.399 129 K N 2.506 122.988 120.400 0.136 0.000 2.308 129 K HA 0.109 4.429 4.320 -0.000 0.000 0.197 129 K C 0.166 176.766 176.600 0.000 0.000 1.049 129 K CA -0.013 56.313 56.287 0.065 0.000 0.991 129 K CB 0.421 32.950 32.500 0.049 0.000 0.836 129 K HN 0.316 nan 8.250 nan 0.000 0.500 130 S N 1.661 117.378 115.700 0.028 0.000 2.558 130 S HA -0.028 4.442 4.470 -0.000 0.000 0.291 130 S C -0.255 174.345 174.600 0.001 0.000 1.306 130 S CA 0.094 58.304 58.200 0.017 0.000 1.056 130 S CB 0.970 64.197 63.200 0.045 0.000 0.836 130 S HN 0.225 nan 8.310 nan 0.000 0.504 131 T N 3.535 118.084 114.554 -0.009 0.000 2.779 131 T HA 0.426 4.776 4.350 -0.000 0.000 0.296 131 T C 0.244 174.951 174.700 0.013 0.000 0.938 131 T CA -0.514 61.579 62.100 -0.011 0.000 1.119 131 T CB -0.131 68.729 68.868 -0.014 0.000 0.891 131 T HN 0.537 nan 8.240 nan 0.000 0.526 132 V N 1.979 121.903 119.914 0.017 0.000 3.040 132 V HA 0.781 4.900 4.120 -0.000 0.000 0.312 132 V C -2.926 173.188 176.094 0.033 0.000 1.115 132 V CA -3.282 59.034 62.300 0.028 0.000 0.998 132 V CB 1.544 33.386 31.823 0.031 0.000 1.042 132 V HN 0.442 nan 8.190 nan 0.000 0.433 133 P HA 0.231 nan 4.420 nan 0.000 0.269 133 P C -0.256 177.079 177.300 0.058 0.000 1.215 133 P CA -0.127 63.004 63.100 0.051 0.000 0.780 133 P CB 0.434 32.172 31.700 0.063 0.000 0.898 134 V N 5.115 125.068 119.914 0.065 0.000 2.617 134 V HA -0.022 4.098 4.120 -0.000 0.000 0.304 134 V C 1.412 177.552 176.094 0.077 0.000 1.040 134 V CA 0.497 62.850 62.300 0.089 0.000 1.149 134 V CB -0.662 31.217 31.823 0.094 0.000 0.914 134 V HN 0.673 nan 8.190 nan 0.000 0.487 135 R N 1.414 121.979 120.500 0.108 0.000 3.584 135 R HA -0.199 4.141 4.340 -0.000 0.000 0.488 135 R C 1.361 177.693 176.300 0.054 0.000 0.869 135 R CA 1.035 57.180 56.100 0.074 0.000 1.325 135 R CB -2.247 28.052 30.300 -0.002 0.000 2.015 135 R HN 0.921 nan 8.270 nan 0.000 0.489 136 A N 0.900 123.752 122.820 0.053 0.000 1.940 136 A HA 0.067 4.387 4.320 -0.000 0.000 0.219 136 A C 2.308 179.899 177.584 0.011 0.000 1.176 136 A CA 2.196 54.248 52.037 0.026 0.000 0.631 136 A CB -0.392 18.624 19.000 0.028 0.000 0.814 136 A HN 0.527 nan 8.150 nan 0.000 0.446 137 A N -0.375 122.469 122.820 0.039 0.000 1.972 137 A HA -0.195 4.124 4.320 -0.000 0.000 0.219 137 A C 1.976 179.563 177.584 0.004 0.000 1.169 137 A CA 1.819 53.869 52.037 0.021 0.000 0.635 137 A CB -0.527 18.510 19.000 0.061 0.000 0.810 137 A HN 0.701 nan 8.150 nan 0.000 0.446 138 E N 0.021 120.247 120.200 0.042 0.000 2.085 138 E HA -0.170 4.179 4.350 -0.000 0.000 0.194 138 E C 2.081 178.659 176.600 -0.036 0.000 0.994 138 E CA 1.462 57.874 56.400 0.020 0.000 0.801 138 E CB -0.103 29.606 29.700 0.015 0.000 0.743 138 E HN 0.576 nan 8.360 nan 0.000 0.453 139 S N 0.340 116.012 115.700 -0.047 0.000 2.368 139 S HA -0.125 4.345 4.470 -0.000 0.000 0.225 139 S C 1.932 176.443 174.600 -0.149 0.000 1.030 139 S CA 1.084 59.241 58.200 -0.072 0.000 0.999 139 S CB -0.194 62.975 63.200 -0.051 0.000 0.844 139 S HN 0.302 nan 8.310 nan 0.000 0.459 140 I N 1.233 121.676 120.570 -0.213 0.000 2.202 140 I HA -0.193 3.977 4.170 -0.000 0.000 0.242 140 I C 2.639 178.379 176.117 -0.628 0.000 1.091 140 I CA 1.164 62.183 61.300 -0.468 0.000 1.368 140 I CB -0.336 37.401 38.000 -0.438 0.000 1.058 140 I HN 0.174 nan 8.210 nan 0.000 0.410 141 R N 0.596 120.911 120.500 -0.308 0.000 2.091 141 R HA -0.174 4.166 4.340 -0.000 0.000 0.238 141 R C 2.468 178.731 176.300 -0.062 0.000 1.136 141 R CA 1.489 57.511 56.100 -0.130 0.000 0.959 141 R CB -0.350 29.944 30.300 -0.009 0.000 0.856 141 R HN 0.345 nan 8.270 nan 0.000 0.437 142 R N 0.318 120.774 120.500 -0.072 0.000 2.081 142 R HA -0.074 4.266 4.340 -0.000 0.000 0.235 142 R C 2.320 178.614 176.300 -0.011 0.000 1.131 142 R CA 1.407 57.492 56.100 -0.025 0.000 0.960 142 R CB -0.352 29.931 30.300 -0.029 0.000 0.856 142 R HN 0.230 nan 8.270 nan 0.000 0.436 143 I N -0.041 120.489 120.570 -0.067 0.000 2.226 143 I HA -0.294 3.875 4.170 -0.000 0.000 0.245 143 I C 2.006 178.218 176.117 0.158 0.000 1.100 143 I CA 1.565 62.863 61.300 -0.003 0.000 1.374 143 I CB -0.319 37.641 38.000 -0.067 0.000 1.057 143 I HN 0.148 nan 8.210 nan 0.000 0.413 144 F N 0.898 120.849 119.950 0.002 0.000 2.113 144 F HA -0.241 4.286 4.527 -0.000 0.000 0.297 144 F C 2.413 178.212 175.800 -0.002 0.000 1.103 144 F CA 0.524 58.522 58.000 -0.004 0.000 1.248 144 F CB -0.349 38.645 39.000 -0.010 0.000 0.999 144 F HN 0.122 nan 8.300 nan 0.000 0.475 145 D N 0.673 121.194 120.400 0.201 0.000 2.149 145 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 145 D C 2.174 178.520 176.300 0.077 0.000 0.990 145 D CA 1.301 55.367 54.000 0.109 0.000 0.839 145 D CB -0.467 40.379 40.800 0.076 0.000 0.948 145 D HN 0.215 nan 8.370 nan 0.000 0.460 146 A N 0.302 123.166 122.820 0.074 0.000 2.121 146 A HA -0.084 4.235 4.320 -0.000 0.000 0.218 146 A C 1.220 178.837 177.584 0.054 0.000 1.154 146 A CA 0.775 52.844 52.037 0.053 0.000 0.679 146 A CB -0.047 18.979 19.000 0.043 0.000 0.795 146 A HN 0.126 nan 8.150 nan 0.000 0.458 147 N N 0.213 118.958 118.700 0.075 0.000 2.598 147 N HA 0.073 4.813 4.740 -0.000 0.000 0.309 147 N C -0.551 174.978 175.510 0.032 0.000 1.645 147 N CA 0.051 53.134 53.050 0.056 0.000 0.936 147 N CB 0.677 39.209 38.487 0.074 0.000 1.323 147 N HN 0.199 nan 8.380 nan 0.000 0.497 148 T N 0.723 115.294 114.554 0.028 0.000 2.918 148 T HA 0.250 4.600 4.350 -0.000 0.000 0.302 148 T C 0.009 174.707 174.700 -0.003 0.000 1.045 148 T CA 0.343 62.450 62.100 0.010 0.000 1.114 148 T CB 0.815 69.694 68.868 0.018 0.000 0.965 148 T HN 0.161 nan 8.240 nan 0.000 0.540 149 K N 3.466 123.856 120.400 -0.016 0.000 2.400 149 K HA 0.497 4.816 4.320 -0.000 0.000 0.246 149 K C -2.772 173.820 176.600 -0.013 0.000 0.995 149 K CA -2.188 54.090 56.287 -0.016 0.000 0.840 149 K CB 1.397 33.882 32.500 -0.025 0.000 1.293 149 K HN 0.307 nan 8.250 nan 0.000 0.445 150 P HA 0.023 nan 4.420 nan 0.000 0.263 150 P C -0.626 176.668 177.300 -0.011 0.000 1.195 150 P CA 0.369 63.464 63.100 -0.008 0.000 0.762 150 P CB 0.221 31.917 31.700 -0.006 0.000 0.799 151 N N -0.919 117.776 118.700 -0.008 0.000 2.936 151 N HA -0.191 4.549 4.740 -0.000 0.000 0.236 151 N C -0.144 175.360 175.510 -0.010 0.000 0.930 151 N CA 0.467 53.513 53.050 -0.007 0.000 0.966 151 N CB -1.420 37.063 38.487 -0.006 0.000 1.090 151 N HN 0.311 nan 8.380 nan 0.000 0.592 152 L N 2.208 123.416 121.223 -0.024 0.000 2.361 152 L HA 0.378 4.718 4.340 -0.000 0.000 0.278 152 L C 0.285 177.130 176.870 -0.042 0.000 1.113 152 L CA 0.218 55.027 54.840 -0.051 0.000 0.849 152 L CB 0.495 42.508 42.059 -0.075 0.000 1.155 152 L HN 0.126 nan 8.230 nan 0.000 0.452 153 N N 5.498 124.170 118.700 -0.046 0.000 2.648 153 N HA 0.282 5.022 4.740 -0.000 0.000 0.261 153 N C -1.796 173.638 175.510 -0.126 0.000 1.138 153 N CA -0.336 52.705 53.050 -0.016 0.000 0.804 153 N CB 0.397 38.946 38.487 0.103 0.000 1.237 153 N HN 0.593 nan 8.380 nan 0.000 0.532 154 L N 2.386 123.508 121.223 -0.168 0.000 2.259 154 L HA 0.420 4.760 4.340 -0.000 0.000 0.288 154 L C 0.231 177.064 176.870 -0.062 0.000 1.051 154 L CA -0.679 54.013 54.840 -0.247 0.000 0.824 154 L CB 1.033 42.777 42.059 -0.525 0.000 1.206 154 L HN 0.231 nan 8.230 nan 0.000 0.429 155 Q N 2.982 122.703 119.800 -0.132 0.000 2.267 155 Q HA 0.363 4.703 4.340 -0.000 0.000 0.255 155 Q C -0.522 175.489 176.000 0.017 0.000 0.923 155 Q CA -0.404 55.380 55.803 -0.032 0.000 0.925 155 Q CB 2.735 31.436 28.738 -0.060 0.000 1.195 155 Q HN 0.332 nan 8.270 nan 0.000 0.417 156 V N 5.044 125.000 119.914 0.070 0.000 2.370 156 V HA 0.414 4.534 4.120 -0.000 0.000 0.279 156 V C 0.202 176.315 176.094 0.032 0.000 1.029 156 V CA -0.417 61.924 62.300 0.070 0.000 0.870 156 V CB 1.004 32.866 31.823 0.065 0.000 0.984 156 V HN 0.559 nan 8.190 nan 0.000 0.451 157 L N 3.234 124.470 121.223 0.022 0.000 2.319 157 L HA 0.650 4.989 4.340 -0.000 0.000 0.267 157 L C 0.160 177.050 176.870 0.033 0.000 1.011 157 L CA -0.449 54.402 54.840 0.019 0.000 0.818 157 L CB 2.194 44.265 42.059 0.019 0.000 1.316 157 L HN 0.614 nan 8.230 nan 0.000 0.432 158 S N 1.417 117.132 115.700 0.025 0.000 2.451 158 S HA 0.353 4.823 4.470 -0.000 0.000 0.301 158 S C -0.536 174.094 174.600 0.050 0.000 1.116 158 S CA -0.581 57.638 58.200 0.033 0.000 1.093 158 S CB 0.570 63.775 63.200 0.008 0.000 1.017 158 S HN 0.745 nan 8.310 nan 0.000 0.482 159 N N 4.941 123.684 118.700 0.071 0.000 2.716 159 N HA 0.302 5.041 4.740 -0.000 0.000 0.245 159 N C -3.045 172.455 175.510 -0.017 0.000 1.495 159 N CA -1.435 51.666 53.050 0.084 0.000 0.759 159 N CB 1.010 39.648 38.487 0.250 0.000 1.261 159 N HN 0.343 nan 8.380 nan 0.000 0.515 160 P HA 0.053 nan 4.420 nan 0.000 0.269 160 P C -0.599 176.352 177.300 -0.581 0.000 1.215 160 P CA 0.231 63.127 63.100 -0.340 0.000 0.780 160 P CB 0.765 32.215 31.700 -0.418 0.000 0.898 161 E N 0.691 120.539 120.200 -0.587 0.000 2.191 161 E HA 0.429 4.779 4.350 -0.000 0.000 0.274 161 E C -1.063 175.154 176.600 -0.638 0.000 0.948 161 E CA -0.330 55.782 56.400 -0.479 0.000 0.802 161 E CB 0.394 29.969 29.700 -0.209 0.000 1.137 161 E HN 0.253 nan 8.360 nan 0.000 0.397 162 F N 2.620 122.565 119.950 -0.009 0.000 2.746 162 F HA 0.236 4.763 4.527 -0.000 0.000 0.320 162 F C 0.069 175.874 175.800 0.008 0.000 1.097 162 F CA -0.594 57.402 58.000 -0.007 0.000 1.195 162 F CB -0.187 38.795 39.000 -0.031 0.000 1.056 162 F HN 0.350 nan 8.300 nan 0.000 0.562 163 L N 0.681 121.984 121.223 0.133 0.000 2.506 163 L HA 0.555 4.895 4.340 -0.000 0.000 0.281 163 L C 0.062 176.991 176.870 0.099 0.000 1.228 163 L CA -0.637 54.268 54.840 0.108 0.000 0.850 163 L CB -0.144 41.965 42.059 0.084 0.000 1.110 163 L HN 0.035 nan 8.230 nan 0.000 0.496 164 A N 2.175 125.053 122.820 0.097 0.000 2.337 164 A HA 0.553 4.872 4.320 -0.000 0.000 0.329 164 A C -0.115 177.521 177.584 0.086 0.000 1.146 164 A CA -0.727 51.367 52.037 0.094 0.000 0.800 164 A CB 0.296 19.364 19.000 0.114 0.000 1.220 164 A HN 0.859 nan 8.150 nan 0.000 0.472 165 E N 0.196 120.461 120.200 0.109 0.000 2.398 165 E HA 0.364 4.714 4.350 -0.000 0.000 0.263 165 E C 1.228 177.835 176.600 0.011 0.000 1.046 165 E CA 1.105 57.570 56.400 0.109 0.000 0.908 165 E CB 0.456 30.265 29.700 0.182 0.000 0.963 165 E HN 1.293 nan 8.360 nan 0.000 0.431 166 G N 1.943 110.740 108.800 -0.005 0.000 2.320 166 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.242 166 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.242 166 G C 0.868 175.743 174.900 -0.042 0.000 1.033 166 G CA 0.658 45.721 45.100 -0.061 0.000 0.620 166 G HN 0.661 nan 8.290 nan 0.000 0.517 167 T N -2.324 112.226 114.554 -0.007 0.000 3.252 167 T HA 0.722 5.072 4.350 -0.000 0.000 0.286 167 T C 1.932 176.647 174.700 0.026 0.000 1.013 167 T CA 1.217 63.322 62.100 0.009 0.000 0.914 167 T CB 0.769 69.652 68.868 0.026 0.000 1.131 167 T HN 1.398 nan 8.240 nan 0.000 0.529 168 A N 2.333 125.170 122.820 0.030 0.000 1.883 168 A HA 0.028 4.348 4.320 -0.000 0.000 0.217 168 A C 2.161 179.768 177.584 0.038 0.000 1.186 168 A CA 1.312 53.379 52.037 0.050 0.000 0.624 168 A CB -0.615 18.427 19.000 0.069 0.000 0.822 168 A HN 0.502 nan 8.150 nan 0.000 0.444 169 I N -0.001 120.575 120.570 0.009 0.000 2.202 169 I HA -0.198 3.972 4.170 -0.000 0.000 0.242 169 I C 2.390 178.514 176.117 0.012 0.000 1.091 169 I CA 1.882 63.177 61.300 -0.009 0.000 1.368 169 I CB -1.230 36.742 38.000 -0.046 0.000 1.058 169 I HN 0.473 nan 8.210 nan 0.000 0.410 170 K N 1.002 121.413 120.400 0.018 0.000 2.044 170 K HA -0.242 4.078 4.320 -0.000 0.000 0.210 170 K C 1.618 178.257 176.600 0.065 0.000 1.049 170 K CA 2.100 58.409 56.287 0.036 0.000 0.927 170 K CB -0.032 32.485 32.500 0.029 0.000 0.713 170 K HN 0.219 nan 8.250 nan 0.000 0.443 171 D N 0.756 121.197 120.400 0.068 0.000 2.144 171 D HA -0.125 4.515 4.640 -0.000 0.000 0.200 171 D C 2.039 178.414 176.300 0.125 0.000 0.978 171 D CA 0.910 54.963 54.000 0.087 0.000 0.833 171 D CB -0.102 40.749 40.800 0.085 0.000 0.961 171 D HN 0.255 nan 8.370 nan 0.000 0.470 172 L N 0.374 121.676 121.223 0.132 0.000 2.072 172 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 172 L C 2.280 179.354 176.870 0.341 0.000 1.079 172 L CA 1.014 55.976 54.840 0.204 0.000 0.752 172 L CB -0.135 42.004 42.059 0.133 0.000 0.906 172 L HN -0.074 nan 8.230 nan 0.000 0.436 173 K N -0.327 120.202 120.400 0.215 0.000 2.217 173 K HA -0.004 4.316 4.320 -0.000 0.000 0.202 173 K C 0.195 177.007 176.600 0.354 0.000 1.051 173 K CA 0.648 57.089 56.287 0.256 0.000 0.952 173 K CB 0.146 32.694 32.500 0.080 0.000 0.736 173 K HN 0.230 nan 8.250 nan 0.000 0.453 174 N N 1.069 119.904 118.700 0.225 0.000 2.711 174 N HA 0.164 4.904 4.740 -0.000 0.000 0.263 174 N C -2.869 172.700 175.510 0.099 0.000 1.667 174 N CA -0.827 52.316 53.050 0.154 0.000 0.785 174 N CB 1.658 40.210 38.487 0.108 0.000 1.231 174 N HN 0.038 nan 8.380 nan 0.000 0.503 175 P HA 0.235 nan 4.420 nan 0.000 0.279 175 P C 0.351 177.645 177.300 -0.010 0.000 1.239 175 P CA -0.093 63.034 63.100 0.046 0.000 0.789 175 P CB 1.728 33.450 31.700 0.037 0.000 0.933 176 D N 1.306 121.687 120.400 -0.033 0.000 2.123 176 D HA -0.116 4.523 4.640 -0.000 0.000 0.196 176 D C 1.089 177.327 176.300 -0.104 0.000 0.992 176 D CA 1.774 55.729 54.000 -0.075 0.000 0.833 176 D CB 0.171 40.904 40.800 -0.112 0.000 0.954 176 D HN 0.474 nan 8.370 nan 0.000 0.455 177 R N -0.845 119.582 120.500 -0.121 0.000 2.716 177 R HA 0.491 4.830 4.340 -0.000 0.000 0.271 177 R C -1.734 174.520 176.300 -0.076 0.000 1.028 177 R CA -0.783 55.242 56.100 -0.123 0.000 0.883 177 R CB 0.756 30.959 30.300 -0.162 0.000 1.250 177 R HN -0.161 nan 8.270 nan 0.000 0.465 178 V N 1.769 121.616 119.914 -0.112 0.000 2.555 178 V HA 0.530 4.650 4.120 -0.000 0.000 0.302 178 V C -0.797 175.263 176.094 -0.057 0.000 1.038 178 V CA -0.949 61.265 62.300 -0.143 0.000 0.887 178 V CB 1.614 33.179 31.823 -0.430 0.000 0.991 178 V HN 0.635 nan 8.190 nan 0.000 0.434 179 L N 6.430 127.676 121.223 0.039 0.000 2.349 179 L HA 0.698 5.037 4.340 -0.000 0.000 0.278 179 L C -0.816 176.070 176.870 0.027 0.000 0.996 179 L CA 0.067 54.949 54.840 0.070 0.000 0.825 179 L CB 1.298 43.495 42.059 0.231 0.000 1.243 179 L HN 0.549 nan 8.230 nan 0.000 0.412 180 I N 4.219 124.796 120.570 0.013 0.000 2.466 180 I HA 0.624 4.793 4.170 -0.000 0.000 0.289 180 I C 0.190 176.300 176.117 -0.013 0.000 1.026 180 I CA -0.640 60.675 61.300 0.025 0.000 1.078 180 I CB 2.160 40.194 38.000 0.056 0.000 1.249 180 I HN 0.722 nan 8.210 nan 0.000 0.429 181 G N 3.340 112.124 108.800 -0.026 0.000 2.461 181 G HA2 0.781 4.740 3.960 -0.000 0.000 0.323 181 G HA3 0.781 4.740 3.960 -0.000 0.000 0.323 181 G C -0.678 174.174 174.900 -0.079 0.000 1.229 181 G CA -0.678 44.370 45.100 -0.086 0.000 0.941 181 G HN 0.858 nan 8.290 nan 0.000 0.477 182 G N 0.707 109.438 108.800 -0.114 0.000 2.660 182 G HA2 0.511 4.471 3.960 -0.000 0.000 0.290 182 G HA3 0.511 4.471 3.960 -0.000 0.000 0.290 182 G C -1.484 173.346 174.900 -0.116 0.000 1.432 182 G CA -0.787 44.264 45.100 -0.081 0.000 0.807 182 G HN 0.467 nan 8.290 nan 0.000 0.485 183 D N 0.102 120.469 120.400 -0.056 0.000 2.423 183 D HA 0.408 5.048 4.640 -0.000 0.000 0.238 183 D C 1.546 177.828 176.300 -0.029 0.000 1.142 183 D CA 0.683 54.665 54.000 -0.031 0.000 0.884 183 D CB 1.091 41.908 40.800 0.029 0.000 1.199 183 D HN 0.660 nan 8.370 nan 0.000 0.438 184 E N 0.767 120.956 120.200 -0.018 0.000 2.516 184 E HA -0.019 4.331 4.350 -0.000 0.000 0.199 184 E C 1.017 177.621 176.600 0.008 0.000 1.069 184 E CA 0.676 57.071 56.400 -0.008 0.000 0.876 184 E CB -0.926 28.776 29.700 0.004 0.000 0.843 184 E HN 0.574 nan 8.360 nan 0.000 0.530 185 T N -2.461 112.104 114.554 0.018 0.000 2.802 185 T HA 0.217 4.567 4.350 -0.000 0.000 0.305 185 T C -1.532 173.177 174.700 0.015 0.000 1.053 185 T CA -0.580 61.532 62.100 0.021 0.000 1.058 185 T CB 1.242 70.128 68.868 0.030 0.000 0.988 185 T HN -0.060 nan 8.240 nan 0.000 0.539 186 P HA -0.049 nan 4.420 nan 0.000 0.216 186 P C 1.660 178.966 177.300 0.009 0.000 1.153 186 P CA 0.850 63.954 63.100 0.007 0.000 0.848 186 P CB 0.082 31.783 31.700 0.002 0.000 0.787 187 E N -0.543 119.666 120.200 0.016 0.000 2.072 187 E HA -0.086 4.263 4.350 -0.000 0.000 0.191 187 E C 2.284 178.910 176.600 0.044 0.000 0.985 187 E CA 1.505 57.922 56.400 0.028 0.000 0.801 187 E CB -1.051 28.674 29.700 0.041 0.000 0.750 187 E HN 0.238 nan 8.360 nan 0.000 0.452 188 G N 1.370 110.190 108.800 0.035 0.000 2.446 188 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 188 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 188 G C 1.546 176.460 174.900 0.023 0.000 1.168 188 G CA 0.475 45.592 45.100 0.027 0.000 0.771 188 G HN 0.150 nan 8.290 nan 0.000 0.551 189 Q N -0.137 119.673 119.800 0.017 0.000 2.167 189 Q HA 0.001 4.340 4.340 -0.000 0.000 0.202 189 Q C 2.486 178.504 176.000 0.030 0.000 0.970 189 Q CA 0.768 56.581 55.803 0.016 0.000 0.855 189 Q CB -0.300 28.442 28.738 0.008 0.000 0.911 189 Q HN 0.590 nan 8.270 nan 0.000 0.438 190 R N 0.260 120.780 120.500 0.033 0.000 2.092 190 R HA -0.056 4.284 4.340 -0.000 0.000 0.231 190 R C 1.976 178.327 176.300 0.085 0.000 1.119 190 R CA 1.144 57.270 56.100 0.045 0.000 0.970 190 R CB -0.035 30.271 30.300 0.010 0.000 0.864 190 R HN 0.173 nan 8.270 nan 0.000 0.440 191 A N 0.503 123.378 122.820 0.091 0.000 1.873 191 A HA -0.081 4.238 4.320 -0.000 0.000 0.215 191 A C 2.274 179.905 177.584 0.079 0.000 1.186 191 A CA 1.426 53.525 52.037 0.102 0.000 0.616 191 A CB -0.622 18.414 19.000 0.060 0.000 0.823 191 A HN 0.206 nan 8.150 nan 0.000 0.442 192 V N -0.005 119.943 119.914 0.056 0.000 2.287 192 V HA -0.302 3.817 4.120 -0.000 0.000 0.248 192 V C 2.798 178.935 176.094 0.071 0.000 1.053 192 V CA 2.486 64.818 62.300 0.054 0.000 1.027 192 V CB -0.712 31.128 31.823 0.029 0.000 0.646 192 V HN 0.708 nan 8.190 nan 0.000 0.447 193 Q N 0.307 120.148 119.800 0.068 0.000 2.124 193 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 193 Q C 2.099 178.157 176.000 0.096 0.000 0.977 193 Q CA 2.098 57.944 55.803 0.071 0.000 0.850 193 Q CB -0.623 28.150 28.738 0.058 0.000 0.901 193 Q HN 0.612 nan 8.270 nan 0.000 0.429 194 A N -0.065 122.833 122.820 0.130 0.000 1.933 194 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 194 A C 1.975 179.627 177.584 0.114 0.000 1.175 194 A CA 1.451 53.590 52.037 0.169 0.000 0.628 194 A CB -0.755 18.437 19.000 0.320 0.000 0.814 194 A HN 0.455 nan 8.150 nan 0.000 0.444 195 L N -0.297 120.982 121.223 0.093 0.000 2.056 195 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 195 L C 2.481 179.415 176.870 0.107 0.000 1.078 195 L CA 1.925 56.802 54.840 0.062 0.000 0.749 195 L CB -0.972 41.145 42.059 0.097 0.000 0.901 195 L HN 0.464 nan 8.230 nan 0.000 0.433 196 C N -0.261 119.126 119.300 0.144 0.000 2.398 196 C HA -0.239 4.221 4.460 -0.000 0.000 0.276 196 C C 3.004 178.063 174.990 0.114 0.000 1.222 196 C CA 0.885 59.992 59.018 0.149 0.000 1.746 196 C CB -1.666 26.128 27.740 0.090 0.000 2.039 196 C HN 0.725 nan 8.230 nan 0.000 0.470 197 A N -0.107 122.770 122.820 0.095 0.000 1.986 197 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 197 A C 2.253 179.957 177.584 0.201 0.000 1.171 197 A CA 2.297 54.399 52.037 0.109 0.000 0.640 197 A CB -0.658 18.398 19.000 0.092 0.000 0.811 197 A HN 0.415 nan 8.150 nan 0.000 0.451 198 V N -1.655 118.318 119.914 0.097 0.000 2.244 198 V HA -0.281 3.839 4.120 -0.000 0.000 0.244 198 V C 2.304 178.430 176.094 0.053 0.000 1.042 198 V CA 1.991 64.302 62.300 0.018 0.000 1.006 198 V CB -1.102 30.612 31.823 -0.182 0.000 0.641 198 V HN 0.698 nan 8.190 nan 0.000 0.446 199 Y N 0.498 120.792 120.300 -0.011 0.000 2.256 199 Y HA -0.210 4.340 4.550 -0.000 0.000 0.288 199 Y C 2.490 178.149 175.900 -0.401 0.000 1.155 199 Y CA 1.436 59.278 58.100 -0.430 0.000 1.203 199 Y CB -0.169 38.070 38.460 -0.368 0.000 0.980 199 Y HN 0.346 nan 8.280 nan 0.000 0.530 200 E N -0.983 119.245 120.200 0.046 0.000 2.516 200 E HA -0.146 4.204 4.350 -0.000 0.000 0.199 200 E C 1.147 177.790 176.600 0.072 0.000 1.069 200 E CA 0.281 56.689 56.400 0.014 0.000 0.876 200 E CB -0.106 29.601 29.700 0.010 0.000 0.843 200 E HN 0.631 nan 8.360 nan 0.000 0.530 201 H N -1.168 117.972 119.070 0.116 0.000 2.456 201 H HA -0.144 4.412 4.556 -0.000 0.000 0.296 201 H C 1.220 176.777 175.328 0.381 0.000 1.079 201 H CA 1.746 57.945 56.048 0.252 0.000 1.322 201 H CB -0.016 29.959 29.762 0.356 0.000 1.388 201 H HN 0.515 nan 8.280 nan 0.000 0.538 202 W N -2.530 118.886 121.300 0.192 0.000 1.583 202 W HA 0.422 5.082 4.660 -0.000 0.000 0.214 202 W C -1.481 175.108 176.519 0.117 0.000 0.808 202 W CA -0.157 57.271 57.345 0.137 0.000 0.964 202 W CB 0.427 29.973 29.460 0.143 0.000 0.909 202 W HN -0.306 nan 8.180 nan 0.000 0.503 203 V N 3.879 123.551 119.914 -0.403 0.000 2.417 203 V HA 0.441 4.561 4.120 -0.000 0.000 0.291 203 V C -1.953 174.050 176.094 -0.152 0.000 1.024 203 V CA -2.105 59.993 62.300 -0.336 0.000 0.861 203 V CB 1.359 32.878 31.823 -0.507 0.000 0.985 203 V HN -0.259 nan 8.190 nan 0.000 0.436 204 P HA 0.099 nan 4.420 nan 0.000 0.265 204 P C 0.741 178.002 177.300 -0.064 0.000 1.193 204 P CA 0.012 63.081 63.100 -0.052 0.000 0.765 204 P CB 0.598 32.277 31.700 -0.035 0.000 0.823 205 R N 3.833 124.306 120.500 -0.046 0.000 2.127 205 R HA -0.179 4.161 4.340 -0.000 0.000 0.238 205 R C 1.703 177.976 176.300 -0.044 0.000 1.134 205 R CA 1.506 57.582 56.100 -0.041 0.000 0.975 205 R CB -0.142 30.143 30.300 -0.026 0.000 0.865 205 R HN 0.545 nan 8.270 nan 0.000 0.447 206 E N 0.677 120.852 120.200 -0.042 0.000 2.268 206 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 206 E C 0.833 177.400 176.600 -0.056 0.000 0.995 206 E CA 1.146 57.520 56.400 -0.043 0.000 0.836 206 E CB -0.076 29.603 29.700 -0.036 0.000 0.763 206 E HN 0.365 nan 8.360 nan 0.000 0.491 207 K N 0.572 120.931 120.400 -0.068 0.000 2.444 207 K HA 0.258 4.578 4.320 -0.000 0.000 0.193 207 K C 0.346 176.886 176.600 -0.100 0.000 1.024 207 K CA 0.014 56.250 56.287 -0.085 0.000 1.077 207 K CB 0.339 32.785 32.500 -0.090 0.000 0.833 207 K HN 0.143 nan 8.250 nan 0.000 0.517 208 I N 2.337 122.854 120.570 -0.088 0.000 2.307 208 I HA 0.180 4.350 4.170 -0.000 0.000 0.289 208 I C -0.398 175.682 176.117 -0.062 0.000 1.021 208 I CA -0.597 60.650 61.300 -0.088 0.000 1.224 208 I CB 0.996 38.952 38.000 -0.073 0.000 1.376 208 I HN -0.125 nan 8.210 nan 0.000 0.470 209 L N 6.355 127.542 121.223 -0.060 0.000 2.307 209 L HA 0.496 4.836 4.340 -0.000 0.000 0.282 209 L C 0.274 177.122 176.870 -0.036 0.000 1.051 209 L CA -0.408 54.403 54.840 -0.049 0.000 0.804 209 L CB 1.647 43.673 42.059 -0.054 0.000 1.197 209 L HN 0.605 nan 8.230 nan 0.000 0.431 210 T N -1.132 113.400 114.554 -0.037 0.000 2.824 210 T HA 0.660 5.010 4.350 -0.000 0.000 0.282 210 T C -0.377 174.287 174.700 -0.060 0.000 0.993 210 T CA -0.617 61.460 62.100 -0.038 0.000 0.967 210 T CB 2.376 71.229 68.868 -0.026 0.000 0.960 210 T HN 0.633 nan 8.240 nan 0.000 0.441 211 T N 1.419 115.922 114.554 -0.085 0.000 2.626 211 T HA 0.533 4.883 4.350 -0.000 0.000 0.299 211 T C -1.068 173.504 174.700 -0.213 0.000 1.181 211 T CA -0.675 61.345 62.100 -0.134 0.000 1.053 211 T CB 0.910 69.700 68.868 -0.129 0.000 1.566 211 T HN 0.947 nan 8.240 nan 0.000 0.486 212 N N -0.055 118.428 118.700 -0.362 0.000 2.434 212 N HA 0.265 5.005 4.740 -0.000 0.000 0.266 212 N C 1.291 176.446 175.510 -0.592 0.000 1.223 212 N CA 0.282 52.959 53.050 -0.622 0.000 0.972 212 N CB 0.195 37.985 38.487 -1.162 0.000 1.207 212 N HN 0.713 nan 8.380 nan 0.000 0.525 213 T N -3.360 110.857 114.554 -0.560 0.000 2.833 213 T HA -0.162 4.188 4.350 -0.000 0.000 0.269 213 T C 1.267 175.910 174.700 -0.094 0.000 1.054 213 T CA 1.317 63.289 62.100 -0.213 0.000 1.135 213 T CB -0.708 68.147 68.868 -0.021 0.000 0.869 213 T HN 0.805 nan 8.240 nan 0.000 0.466 214 W N 1.389 122.695 121.300 0.010 0.000 2.453 214 W HA 0.394 5.054 4.660 -0.001 0.000 0.289 214 W C 2.305 178.831 176.519 0.011 0.000 1.215 214 W CA 0.315 57.665 57.345 0.008 0.000 1.297 214 W CB -0.700 28.763 29.460 0.006 0.000 1.113 214 W HN 0.036 nan 8.180 nan 0.000 0.551 215 S N 0.720 116.352 115.700 -0.112 0.000 2.382 215 S HA -0.254 4.216 4.470 -0.000 0.000 0.228 215 S C 2.056 176.643 174.600 -0.022 0.000 1.027 215 S CA 1.738 59.915 58.200 -0.039 0.000 0.991 215 S CB -0.724 62.409 63.200 -0.112 0.000 0.823 215 S HN 0.425 nan 8.310 nan 0.000 0.469 216 S N 1.047 116.714 115.700 -0.057 0.000 2.345 216 S HA -0.107 4.362 4.470 -0.000 0.000 0.220 216 S C 1.794 176.412 174.600 0.030 0.000 1.031 216 S CA 1.207 59.401 58.200 -0.010 0.000 0.996 216 S CB -0.287 62.892 63.200 -0.035 0.000 0.882 216 S HN 0.543 nan 8.310 nan 0.000 0.445 217 E N 0.385 120.608 120.200 0.039 0.000 2.058 217 E HA -0.152 4.197 4.350 -0.000 0.000 0.194 217 E C 2.057 178.691 176.600 0.057 0.000 0.997 217 E CA 1.333 57.765 56.400 0.053 0.000 0.801 217 E CB -0.286 29.463 29.700 0.081 0.000 0.746 217 E HN 0.344 nan 8.360 nan 0.000 0.450 218 L N 0.935 122.202 121.223 0.073 0.000 2.083 218 L HA -0.154 4.185 4.340 -0.000 0.000 0.209 218 L C 2.098 178.993 176.870 0.041 0.000 1.083 218 L CA 1.728 56.603 54.840 0.058 0.000 0.752 218 L CB -0.483 41.625 42.059 0.081 0.000 0.899 218 L HN -0.055 nan 8.230 nan 0.000 0.433 219 S N -0.497 115.232 115.700 0.050 0.000 2.382 219 S HA -0.215 4.255 4.470 -0.000 0.000 0.228 219 S C 1.922 176.585 174.600 0.105 0.000 1.027 219 S CA 1.486 59.715 58.200 0.049 0.000 0.991 219 S CB -0.298 62.931 63.200 0.049 0.000 0.823 219 S HN 0.396 nan 8.310 nan 0.000 0.469 220 K N 1.898 122.384 120.400 0.144 0.000 2.057 220 K HA 0.090 4.410 4.320 -0.000 0.000 0.206 220 K C 1.795 178.454 176.600 0.097 0.000 1.050 220 K CA 1.196 57.596 56.287 0.188 0.000 0.935 220 K CB -0.658 31.862 32.500 0.034 0.000 0.715 220 K HN 0.327 nan 8.250 nan 0.000 0.439 221 L N 0.054 121.295 121.223 0.030 0.000 2.027 221 L HA -0.090 4.250 4.340 -0.000 0.000 0.206 221 L C 2.521 179.337 176.870 -0.090 0.000 1.074 221 L CA 1.303 56.125 54.840 -0.029 0.000 0.745 221 L CB -0.743 41.287 42.059 -0.049 0.000 0.898 221 L HN 0.277 nan 8.230 nan 0.000 0.433 222 A N 0.137 122.917 122.820 -0.066 0.000 1.902 222 A HA -0.168 4.151 4.320 -0.000 0.000 0.217 222 A C 2.551 180.154 177.584 0.031 0.000 1.181 222 A CA 1.749 53.754 52.037 -0.054 0.000 0.623 222 A CB -0.700 18.313 19.000 0.022 0.000 0.818 222 A HN 0.402 nan 8.150 nan 0.000 0.443 223 A N 0.294 123.114 122.820 0.000 0.000 1.883 223 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 223 A C 1.934 179.517 177.584 -0.000 0.000 1.186 223 A CA 2.037 54.061 52.037 -0.022 0.000 0.624 223 A CB -0.716 18.280 19.000 -0.008 0.000 0.822 223 A HN 0.524 nan 8.150 nan 0.000 0.444 224 N N 0.216 118.924 118.700 0.013 0.000 2.166 224 N HA -0.067 4.673 4.740 -0.000 0.000 0.186 224 N C 1.785 177.095 175.510 -0.333 0.000 1.019 224 N CA 1.498 54.513 53.050 -0.059 0.000 0.856 224 N CB -0.508 38.054 38.487 0.124 0.000 0.993 224 N HN 0.478 nan 8.380 nan 0.000 0.426 225 A N -0.152 122.511 122.820 -0.262 0.000 1.898 225 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 225 A C 1.987 179.501 177.584 -0.117 0.000 1.181 225 A CA 0.906 52.725 52.037 -0.364 0.000 0.620 225 A CB -0.863 17.587 19.000 -0.918 0.000 0.819 225 A HN 0.195 nan 8.150 nan 0.000 0.442 226 F N 0.051 119.917 119.950 -0.140 0.000 2.134 226 F HA -0.117 4.410 4.527 -0.001 0.000 0.299 226 F C 2.136 177.883 175.800 -0.089 0.000 1.097 226 F CA 1.465 59.479 58.000 0.023 0.000 1.264 226 F CB -0.415 38.590 39.000 0.009 0.000 1.001 226 F HN 0.098 nan 8.300 nan 0.000 0.479 227 L N -0.739 120.443 121.223 -0.068 0.000 1.994 227 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 227 L C 2.728 179.429 176.870 -0.282 0.000 1.071 227 L CA 1.290 56.010 54.840 -0.199 0.000 0.745 227 L CB -1.123 40.753 42.059 -0.304 0.000 0.892 227 L HN 0.113 nan 8.230 nan 0.000 0.431 228 A N -0.623 121.710 122.820 -0.811 0.000 1.940 228 A HA -0.302 4.018 4.320 -0.000 0.000 0.219 228 A C 2.267 179.704 177.584 -0.246 0.000 1.176 228 A CA 1.997 53.492 52.037 -0.903 0.000 0.631 228 A CB -0.622 17.664 19.000 -1.190 0.000 0.814 228 A HN 0.526 nan 8.150 nan 0.000 0.446 229 Q N -0.474 119.271 119.800 -0.091 0.000 2.084 229 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 229 Q C 2.286 178.308 176.000 0.036 0.000 0.978 229 Q CA 1.585 57.397 55.803 0.015 0.000 0.844 229 Q CB -0.122 28.634 28.738 0.029 0.000 0.898 229 Q HN 0.688 nan 8.270 nan 0.000 0.426 230 R N -0.050 120.492 120.500 0.070 0.000 2.096 230 R HA -0.160 4.180 4.340 -0.000 0.000 0.240 230 R C 2.324 178.701 176.300 0.128 0.000 1.139 230 R CA 1.794 57.965 56.100 0.118 0.000 0.952 230 R CB -0.419 29.996 30.300 0.192 0.000 0.854 230 R HN 0.366 nan 8.270 nan 0.000 0.436 231 I N 0.104 120.767 120.570 0.155 0.000 2.202 231 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 231 I C 2.263 178.483 176.117 0.172 0.000 1.091 231 I CA 1.215 62.614 61.300 0.166 0.000 1.368 231 I CB -0.261 37.888 38.000 0.249 0.000 1.058 231 I HN 0.056 nan 8.210 nan 0.000 0.410 232 S N 0.184 116.009 115.700 0.209 0.000 2.399 232 S HA -0.151 4.319 4.470 -0.000 0.000 0.231 232 S C 2.232 176.880 174.600 0.080 0.000 1.022 232 S CA 1.508 59.805 58.200 0.163 0.000 0.983 232 S CB -0.159 63.153 63.200 0.185 0.000 0.803 232 S HN 0.366 nan 8.310 nan 0.000 0.480 233 S N 1.286 117.019 115.700 0.055 0.000 2.355 233 S HA -0.018 4.452 4.470 -0.000 0.000 0.222 233 S C 1.813 176.436 174.600 0.038 0.000 1.031 233 S CA 0.887 59.103 58.200 0.027 0.000 0.993 233 S CB -0.328 62.879 63.200 0.013 0.000 0.859 233 S HN 0.369 nan 8.310 nan 0.000 0.453 234 I N 2.773 123.373 120.570 0.050 0.000 2.394 234 I HA -0.114 4.056 4.170 -0.000 0.000 0.251 234 I C 1.650 177.789 176.117 0.036 0.000 1.136 234 I CA 1.069 62.394 61.300 0.041 0.000 1.425 234 I CB -0.455 37.570 38.000 0.041 0.000 1.079 234 I HN 0.124 nan 8.210 nan 0.000 0.425 235 N N 0.124 118.849 118.700 0.042 0.000 2.166 235 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 235 N C 2.136 177.676 175.510 0.049 0.000 1.019 235 N CA 1.616 54.684 53.050 0.030 0.000 0.856 235 N CB -0.524 37.977 38.487 0.023 0.000 0.993 235 N HN 0.544 nan 8.380 nan 0.000 0.426 236 S N 0.579 116.319 115.700 0.066 0.000 2.382 236 S HA -0.051 4.419 4.470 -0.000 0.000 0.228 236 S C 1.899 176.538 174.600 0.064 0.000 1.027 236 S CA 0.587 58.838 58.200 0.085 0.000 0.991 236 S CB -0.288 62.945 63.200 0.054 0.000 0.823 236 S HN 0.074 nan 8.310 nan 0.000 0.469 237 I N 3.451 124.046 120.570 0.042 0.000 2.315 237 I HA -0.104 4.066 4.170 -0.000 0.000 0.248 237 I C 3.005 179.143 176.117 0.036 0.000 1.117 237 I CA 1.435 62.755 61.300 0.034 0.000 1.404 237 I CB -2.010 36.005 38.000 0.026 0.000 1.071 237 I HN 0.626 nan 8.210 nan 0.000 0.419 238 S N 1.692 117.412 115.700 0.034 0.000 2.370 238 S HA -0.174 4.296 4.470 -0.000 0.000 0.226 238 S C 2.291 176.915 174.600 0.041 0.000 1.033 238 S CA 1.231 59.449 58.200 0.030 0.000 1.011 238 S CB -0.639 62.571 63.200 0.016 0.000 0.852 238 S HN 0.393 nan 8.310 nan 0.000 0.457 239 A N 2.033 124.887 122.820 0.057 0.000 1.883 239 A HA 0.086 4.406 4.320 -0.000 0.000 0.217 239 A C 2.389 180.016 177.584 0.070 0.000 1.186 239 A CA 1.586 53.671 52.037 0.080 0.000 0.624 239 A CB -1.002 18.096 19.000 0.165 0.000 0.822 239 A HN 0.553 nan 8.150 nan 0.000 0.444 240 L N -0.858 120.400 121.223 0.060 0.000 2.042 240 L HA -0.267 4.072 4.340 -0.000 0.000 0.210 240 L C 2.758 179.649 176.870 0.035 0.000 1.076 240 L CA 1.379 56.244 54.840 0.042 0.000 0.749 240 L CB -0.546 41.533 42.059 0.032 0.000 0.893 240 L HN 0.526 nan 8.230 nan 0.000 0.432 241 C N -0.158 119.163 119.300 0.033 0.000 2.432 241 C HA -0.159 4.301 4.460 -0.000 0.000 0.277 241 C C 2.611 177.621 174.990 0.032 0.000 1.249 241 C CA 0.764 59.799 59.018 0.028 0.000 1.725 241 C CB -0.770 26.985 27.740 0.025 0.000 2.028 241 C HN 0.527 nan 8.230 nan 0.000 0.477 242 E N 0.924 121.148 120.200 0.040 0.000 2.085 242 E HA -0.195 4.154 4.350 -0.000 0.000 0.194 242 E C 2.281 178.906 176.600 0.041 0.000 0.994 242 E CA 1.493 57.920 56.400 0.045 0.000 0.801 242 E CB -0.265 29.467 29.700 0.053 0.000 0.743 242 E HN 0.690 nan 8.360 nan 0.000 0.453 243 A N 0.812 123.656 122.820 0.040 0.000 2.014 243 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 243 A C 2.256 179.856 177.584 0.028 0.000 1.163 243 A CA 1.728 53.786 52.037 0.035 0.000 0.652 243 A CB -0.384 18.639 19.000 0.037 0.000 0.808 243 A HN 0.367 nan 8.150 nan 0.000 0.449 244 T N -5.818 108.752 114.554 0.026 0.000 3.010 244 T HA 0.429 4.779 4.350 -0.000 0.000 0.257 244 T C 1.308 176.019 174.700 0.019 0.000 1.020 244 T CA 1.054 63.166 62.100 0.020 0.000 0.938 244 T CB 0.355 69.234 68.868 0.018 0.000 1.049 244 T HN 1.620 nan 8.240 nan 0.000 0.522 245 G N 1.460 110.273 108.800 0.022 0.000 2.143 245 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.248 245 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.248 245 G C 0.325 175.233 174.900 0.014 0.000 0.991 245 G CA -0.011 45.100 45.100 0.019 0.000 0.689 245 G HN 1.151 nan 8.290 nan 0.000 0.522 246 A N -0.592 122.236 122.820 0.014 0.000 2.272 246 A HA 0.623 4.943 4.320 -0.000 0.000 0.275 246 A C 0.143 177.732 177.584 0.009 0.000 1.096 246 A CA 0.354 52.397 52.037 0.010 0.000 0.822 246 A CB 0.684 19.691 19.000 0.011 0.000 1.088 246 A HN 0.409 nan 8.150 nan 0.000 0.495 247 D N 0.452 120.853 120.400 0.002 0.000 2.344 247 D HA 0.248 4.888 4.640 -0.000 0.000 0.239 247 D C 0.750 177.050 176.300 -0.000 0.000 1.064 247 D CA -0.367 53.630 54.000 -0.004 0.000 0.829 247 D CB 1.747 42.535 40.800 -0.019 0.000 1.129 247 D HN 0.129 nan 8.370 nan 0.000 0.506 248 V N 4.569 124.486 119.914 0.004 0.000 2.469 248 V HA -0.160 3.959 4.120 -0.000 0.000 0.251 248 V C 1.762 177.858 176.094 0.003 0.000 1.064 248 V CA 1.763 64.067 62.300 0.008 0.000 1.066 248 V CB -0.110 31.720 31.823 0.012 0.000 0.667 248 V HN 0.521 nan 8.190 nan 0.000 0.461 249 E N -0.202 119.995 120.200 -0.005 0.000 2.107 249 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 249 E C 2.146 178.743 176.600 -0.004 0.000 0.982 249 E CA 1.314 57.710 56.400 -0.007 0.000 0.809 249 E CB -0.145 29.545 29.700 -0.017 0.000 0.756 249 E HN 0.751 nan 8.360 nan 0.000 0.459 250 E N 0.520 120.716 120.200 -0.007 0.000 2.072 250 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 250 E C 2.256 178.858 176.600 0.003 0.000 0.985 250 E CA 0.942 57.340 56.400 -0.003 0.000 0.801 250 E CB 0.039 29.735 29.700 -0.006 0.000 0.750 250 E HN 0.023 nan 8.360 nan 0.000 0.452 251 V N 1.547 121.464 119.914 0.005 0.000 2.358 251 V HA -0.253 3.866 4.120 -0.000 0.000 0.246 251 V C 2.369 178.471 176.094 0.013 0.000 1.047 251 V CA 1.788 64.094 62.300 0.010 0.000 1.035 251 V CB -0.685 31.145 31.823 0.011 0.000 0.658 251 V HN 0.300 nan 8.190 nan 0.000 0.452 252 A N -0.257 122.572 122.820 0.014 0.000 1.902 252 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 252 A C 2.401 179.997 177.584 0.020 0.000 1.181 252 A CA 2.545 54.594 52.037 0.020 0.000 0.623 252 A CB -0.959 18.052 19.000 0.019 0.000 0.818 252 A HN 0.503 nan 8.150 nan 0.000 0.443 253 T N 0.230 114.793 114.554 0.015 0.000 2.708 253 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 253 T C 2.239 176.948 174.700 0.015 0.000 1.037 253 T CA 1.617 63.725 62.100 0.014 0.000 1.146 253 T CB -0.451 68.423 68.868 0.009 0.000 0.865 253 T HN 0.602 nan 8.240 nan 0.000 0.435 254 A N 0.997 123.825 122.820 0.013 0.000 1.902 254 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 254 A C 2.289 179.882 177.584 0.016 0.000 1.181 254 A CA 1.185 53.230 52.037 0.013 0.000 0.623 254 A CB -0.769 18.237 19.000 0.010 0.000 0.818 254 A HN 0.507 nan 8.150 nan 0.000 0.443 255 I N -0.333 120.249 120.570 0.019 0.000 2.142 255 I HA -0.208 3.962 4.170 -0.000 0.000 0.240 255 I C 2.693 178.826 176.117 0.027 0.000 1.078 255 I CA 1.304 62.618 61.300 0.023 0.000 1.343 255 I CB -0.630 37.385 38.000 0.026 0.000 1.046 255 I HN 0.393 nan 8.210 nan 0.000 0.405 256 G N 0.247 109.065 108.800 0.029 0.000 2.470 256 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.220 256 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.220 256 G C 1.675 176.592 174.900 0.027 0.000 1.121 256 G CA 0.327 45.447 45.100 0.034 0.000 0.766 256 G HN 0.269 nan 8.290 nan 0.000 0.553 257 M N 0.505 120.118 119.600 0.022 0.000 2.557 257 M HA 0.046 4.526 4.480 -0.000 0.000 0.259 257 M C 0.539 176.849 176.300 0.016 0.000 1.086 257 M CA 0.250 55.561 55.300 0.018 0.000 1.096 257 M CB 0.097 32.705 32.600 0.014 0.000 1.424 257 M HN -0.003 nan 8.290 nan 0.000 0.488 258 D N 1.424 121.835 120.400 0.018 0.000 2.346 258 D HA -0.015 4.625 4.640 -0.000 0.000 0.260 258 D C 0.699 177.010 176.300 0.018 0.000 1.252 258 D CA 0.434 54.445 54.000 0.017 0.000 0.895 258 D CB 0.827 41.638 40.800 0.019 0.000 1.097 258 D HN 0.326 nan 8.370 nan 0.000 0.489 259 Q N 2.817 122.625 119.800 0.014 0.000 2.364 259 Q HA -0.132 4.208 4.340 -0.000 0.000 0.209 259 Q C 1.610 177.617 176.000 0.012 0.000 0.977 259 Q CA 0.883 56.693 55.803 0.012 0.000 0.885 259 Q CB 0.315 29.058 28.738 0.007 0.000 0.941 259 Q HN 0.448 nan 8.270 nan 0.000 0.464 260 R N -0.097 120.412 120.500 0.015 0.000 2.115 260 R HA -0.009 4.331 4.340 -0.000 0.000 0.226 260 R C 1.974 178.291 176.300 0.029 0.000 1.100 260 R CA 0.886 56.997 56.100 0.018 0.000 0.980 260 R CB 0.016 30.327 30.300 0.019 0.000 0.875 260 R HN 0.248 nan 8.270 nan 0.000 0.445 261 I N -0.204 120.385 120.570 0.032 0.000 2.339 261 I HA 0.081 4.251 4.170 -0.000 0.000 0.245 261 I C 1.053 177.196 176.117 0.044 0.000 1.096 261 I CA 0.646 61.971 61.300 0.043 0.000 1.408 261 I CB -0.344 37.681 38.000 0.041 0.000 1.092 261 I HN 0.286 nan 8.210 nan 0.000 0.423 262 G N 2.174 110.995 108.800 0.035 0.000 2.758 262 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.686 262 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.686 262 G C -0.066 174.862 174.900 0.048 0.000 1.389 262 G CA 0.043 45.164 45.100 0.035 0.000 0.845 262 G HN 0.486 nan 8.290 nan 0.000 0.572 263 N N -0.933 117.797 118.700 0.050 0.000 2.203 263 N HA 0.148 4.888 4.740 -0.000 0.000 0.207 263 N C 0.320 175.880 175.510 0.084 0.000 1.130 263 N CA 0.119 53.204 53.050 0.057 0.000 0.861 263 N CB 0.524 39.036 38.487 0.042 0.000 1.005 263 N HN 0.528 nan 8.380 nan 0.000 0.507 264 K N 0.364 120.830 120.400 0.111 0.000 2.098 264 K HA 0.260 4.579 4.320 -0.000 0.000 0.258 264 K C -0.275 176.511 176.600 0.310 0.000 0.973 264 K CA -0.788 55.614 56.287 0.192 0.000 0.898 264 K CB 0.317 32.917 32.500 0.166 0.000 1.057 264 K HN 0.025 nan 8.250 nan 0.000 0.447 265 F N 0.227 120.202 119.950 0.042 0.000 3.091 265 F HA -0.217 4.310 4.527 -0.000 0.000 0.288 265 F C 0.230 176.060 175.800 0.050 0.000 0.907 265 F CA 0.366 58.399 58.000 0.055 0.000 1.028 265 F CB -1.537 37.502 39.000 0.064 0.000 1.022 265 F HN 0.427 nan 8.300 nan 0.000 0.665 266 L N -0.809 120.480 121.223 0.110 0.000 3.141 266 L HA 0.141 4.480 4.340 -0.000 0.000 0.267 266 L C 0.399 177.278 176.870 0.014 0.000 1.281 266 L CA -0.127 54.751 54.840 0.063 0.000 1.037 266 L CB 0.370 42.469 42.059 0.067 0.000 1.407 266 L HN -0.167 nan 8.230 nan 0.000 0.566 267 K N 1.133 121.514 120.400 -0.032 0.000 2.268 267 K HA 0.651 4.971 4.320 -0.000 0.000 0.276 267 K C 0.458 177.028 176.600 -0.050 0.000 1.080 267 K CA -0.373 55.884 56.287 -0.049 0.000 0.910 267 K CB 1.401 33.851 32.500 -0.083 0.000 1.163 267 K HN 0.308 nan 8.250 nan 0.000 0.465 268 A N 2.285 125.088 122.820 -0.029 0.000 2.425 268 A HA 0.545 4.865 4.320 -0.000 0.000 0.242 268 A C 0.544 178.093 177.584 -0.059 0.000 1.077 268 A CA 0.156 52.176 52.037 -0.029 0.000 0.781 268 A CB 0.101 19.091 19.000 -0.016 0.000 1.020 268 A HN 1.001 nan 8.150 nan 0.000 0.494 269 S N -0.098 115.553 115.700 -0.081 0.000 2.643 269 S HA 0.367 4.836 4.470 -0.000 0.000 0.270 269 S C 0.486 174.954 174.600 -0.219 0.000 1.166 269 S CA 0.100 58.217 58.200 -0.138 0.000 0.815 269 S CB 0.824 63.960 63.200 -0.106 0.000 1.139 269 S HN 1.754 nan 8.310 nan 0.000 0.472 270 V N 0.704 120.404 119.914 -0.357 0.000 2.568 270 V HA 0.345 4.465 4.120 -0.000 0.000 0.253 270 V C 0.966 176.898 176.094 -0.269 0.000 1.072 270 V CA 2.487 64.500 62.300 -0.478 0.000 1.084 270 V CB -0.532 30.883 31.823 -0.680 0.000 0.676 270 V HN 1.904 nan 8.190 nan 0.000 0.469 271 G N -0.932 107.751 108.800 -0.196 0.000 2.329 271 G HA2 0.233 4.193 3.960 -0.000 0.000 0.308 271 G HA3 0.233 4.193 3.960 -0.000 0.000 0.308 271 G C -0.771 174.062 174.900 -0.111 0.000 1.587 271 G CA -0.465 44.512 45.100 -0.205 0.000 0.978 271 G HN 0.848 nan 8.290 nan 0.000 0.685 272 F N 0.967 120.923 119.950 0.010 0.000 2.529 272 F HA 0.727 5.253 4.527 -0.000 0.000 0.365 272 F C 0.748 176.579 175.800 0.053 0.000 1.102 272 F CA -0.236 57.812 58.000 0.080 0.000 1.271 272 F CB 0.766 39.904 39.000 0.230 0.000 1.120 272 F HN 0.731 nan 8.300 nan 0.000 0.579 273 G N 0.500 109.482 108.800 0.303 0.000 3.122 273 G HA2 0.704 4.664 3.960 -0.000 0.000 0.180 273 G HA3 0.704 4.664 3.960 -0.000 0.000 0.180 273 G C -0.297 174.589 174.900 -0.022 0.000 1.279 273 G CA -0.752 44.446 45.100 0.163 0.000 0.987 273 G HN 1.679 nan 8.290 nan 0.000 0.589 274 G N -1.879 106.563 108.800 -0.596 0.000 2.650 274 G HA2 0.273 4.233 3.960 -0.000 0.000 0.686 274 G HA3 0.273 4.233 3.960 -0.000 0.000 0.686 274 G C 0.856 175.380 174.900 -0.626 0.000 1.205 274 G CA 0.618 44.923 45.100 -1.325 0.000 0.781 274 G HN 1.800 nan 8.290 nan 0.000 0.648 275 S N -1.397 113.941 115.700 -0.602 0.000 2.474 275 S HA -0.061 4.408 4.470 -0.000 0.000 0.235 275 S C 1.991 176.489 174.600 -0.171 0.000 0.997 275 S CA 2.244 60.266 58.200 -0.297 0.000 0.949 275 S CB -0.146 62.901 63.200 -0.255 0.000 0.766 275 S HN 1.151 nan 8.310 nan 0.000 0.517 276 C N -0.286 118.897 119.300 -0.196 0.000 2.464 276 C HA 0.451 4.911 4.460 -0.000 0.000 0.348 276 C C 2.175 177.224 174.990 0.099 0.000 1.367 276 C CA -0.495 58.485 59.018 -0.062 0.000 2.012 276 C CB -1.227 26.465 27.740 -0.079 0.000 2.434 276 C HN 0.465 nan 8.230 nan 0.000 0.536 277 F N 2.047 121.965 119.950 -0.053 0.000 2.069 277 F HA -0.191 4.336 4.527 -0.000 0.000 0.298 277 F C 2.653 178.462 175.800 0.015 0.000 1.113 277 F CA 1.830 59.768 58.000 -0.103 0.000 1.214 277 F CB -1.434 37.338 39.000 -0.380 0.000 0.978 277 F HN 0.347 nan 8.300 nan 0.000 0.474 278 Q N 0.882 120.907 119.800 0.374 0.000 2.050 278 Q HA -0.252 4.087 4.340 -0.000 0.000 0.202 278 Q C 2.220 178.316 176.000 0.159 0.000 0.980 278 Q CA 2.418 58.400 55.803 0.299 0.000 0.840 278 Q CB -0.180 28.700 28.738 0.237 0.000 0.898 278 Q HN 0.555 nan 8.270 nan 0.000 0.424 279 K N -0.721 119.746 120.400 0.112 0.000 2.148 279 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 279 K C 1.176 177.810 176.600 0.056 0.000 1.050 279 K CA 1.647 57.973 56.287 0.065 0.000 0.942 279 K CB -0.030 32.493 32.500 0.038 0.000 0.724 279 K HN 0.134 nan 8.250 nan 0.000 0.446 280 D N 1.117 121.557 120.400 0.067 0.000 2.149 280 D HA -0.073 4.566 4.640 -0.000 0.000 0.201 280 D C 2.102 178.406 176.300 0.007 0.000 0.972 280 D CA 0.805 54.828 54.000 0.040 0.000 0.835 280 D CB -0.099 40.736 40.800 0.058 0.000 0.966 280 D HN 0.053 nan 8.370 nan 0.000 0.476 281 V N 1.041 120.966 119.914 0.019 0.000 2.358 281 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 281 V C 2.573 178.699 176.094 0.053 0.000 1.047 281 V CA 1.081 63.380 62.300 -0.001 0.000 1.035 281 V CB -0.400 31.454 31.823 0.052 0.000 0.658 281 V HN 0.196 nan 8.190 nan 0.000 0.452 282 L N 0.383 121.654 121.223 0.081 0.000 2.083 282 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 282 L C 2.554 179.483 176.870 0.098 0.000 1.083 282 L CA 1.697 56.593 54.840 0.093 0.000 0.752 282 L CB -0.848 41.257 42.059 0.077 0.000 0.899 282 L HN 0.431 nan 8.230 nan 0.000 0.433 283 N N 1.107 119.846 118.700 0.065 0.000 2.018 283 N HA -0.252 4.488 4.740 -0.000 0.000 0.196 283 N C 1.878 177.447 175.510 0.098 0.000 1.043 283 N CA 1.800 54.894 53.050 0.073 0.000 0.856 283 N CB -0.353 38.155 38.487 0.036 0.000 1.042 283 N HN 0.156 nan 8.380 nan 0.000 0.423 284 L N 0.730 121.972 121.223 0.032 0.000 2.013 284 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 284 L C 2.420 179.326 176.870 0.060 0.000 1.073 284 L CA 1.369 56.204 54.840 -0.008 0.000 0.753 284 L CB -0.794 41.168 42.059 -0.161 0.000 0.890 284 L HN 0.063 nan 8.230 nan 0.000 0.432 285 V N -1.156 118.822 119.914 0.107 0.000 2.332 285 V HA -0.363 3.757 4.120 -0.000 0.000 0.248 285 V C 2.262 178.440 176.094 0.139 0.000 1.055 285 V CA 2.246 64.637 62.300 0.153 0.000 1.038 285 V CB -1.009 30.914 31.823 0.168 0.000 0.651 285 V HN 0.623 nan 8.190 nan 0.000 0.450 286 Y N 0.279 120.601 120.300 0.037 0.000 2.200 286 Y HA -0.208 4.342 4.550 -0.000 0.000 0.290 286 Y C 2.229 178.141 175.900 0.020 0.000 1.137 286 Y CA 1.774 59.889 58.100 0.024 0.000 1.163 286 Y CB -0.162 38.304 38.460 0.010 0.000 0.988 286 Y HN 0.225 nan 8.280 nan 0.000 0.518 287 L N -0.429 120.842 121.223 0.079 0.000 2.046 287 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 287 L C 2.303 179.140 176.870 -0.054 0.000 1.077 287 L CA 1.986 56.827 54.840 0.002 0.000 0.747 287 L CB -1.082 41.009 42.059 0.054 0.000 0.896 287 L HN 0.394 nan 8.230 nan 0.000 0.432 288 C N -0.219 119.075 119.300 -0.010 0.000 2.429 288 C HA -0.092 4.368 4.460 -0.000 0.000 0.277 288 C C 2.662 177.624 174.990 -0.046 0.000 1.262 288 C CA 0.624 59.645 59.018 0.005 0.000 1.733 288 C CB -0.914 26.872 27.740 0.076 0.000 2.010 288 C HN 0.567 nan 8.230 nan 0.000 0.483 289 E N 1.010 121.153 120.200 -0.096 0.000 2.110 289 E HA -0.121 4.228 4.350 -0.000 0.000 0.193 289 E C 2.365 178.849 176.600 -0.192 0.000 0.988 289 E CA 1.465 57.784 56.400 -0.135 0.000 0.804 289 E CB -0.593 29.015 29.700 -0.154 0.000 0.745 289 E HN 0.662 nan 8.360 nan 0.000 0.458 290 A N 0.766 123.408 122.820 -0.296 0.000 2.019 290 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 290 A C 2.073 179.581 177.584 -0.127 0.000 1.164 290 A CA 0.808 52.695 52.037 -0.250 0.000 0.644 290 A CB -0.352 18.465 19.000 -0.304 0.000 0.805 290 A HN 0.168 nan 8.150 nan 0.000 0.449 291 L N -0.881 120.285 121.223 -0.094 0.000 2.653 291 L HA 0.136 4.476 4.340 -0.000 0.000 0.231 291 L C 0.573 177.418 176.870 -0.042 0.000 1.153 291 L CA -0.079 54.727 54.840 -0.056 0.000 0.933 291 L CB -0.239 41.798 42.059 -0.037 0.000 1.175 291 L HN 0.448 nan 8.230 nan 0.000 0.473 292 N N 1.214 119.886 118.700 -0.047 0.000 2.754 292 N HA -0.209 4.530 4.740 -0.000 0.000 0.248 292 N C -0.537 174.963 175.510 -0.017 0.000 1.093 292 N CA 0.674 53.705 53.050 -0.032 0.000 0.699 292 N CB -1.199 37.271 38.487 -0.028 0.000 1.016 292 N HN 0.324 nan 8.380 nan 0.000 0.552 293 L N 0.342 121.558 121.223 -0.011 0.000 2.679 293 L HA 0.323 4.663 4.340 -0.000 0.000 0.238 293 L C -1.237 175.646 176.870 0.022 0.000 1.330 293 L CA -1.367 53.479 54.840 0.010 0.000 0.935 293 L CB 1.019 43.094 42.059 0.026 0.000 1.243 293 L HN -0.018 nan 8.230 nan 0.000 0.484 294 P HA -0.127 nan 4.420 nan 0.000 0.221 294 P C 0.866 178.186 177.300 0.033 0.000 1.150 294 P CA 1.156 64.268 63.100 0.020 0.000 0.800 294 P CB 0.581 32.285 31.700 0.007 0.000 0.787 295 E N -0.084 120.131 120.200 0.024 0.000 2.106 295 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 295 E C 2.147 178.774 176.600 0.046 0.000 0.984 295 E CA 0.828 57.240 56.400 0.021 0.000 0.806 295 E CB -1.207 28.490 29.700 -0.006 0.000 0.750 295 E HN 0.050 nan 8.360 nan 0.000 0.458 296 V N 1.064 121.015 119.914 0.062 0.000 2.307 296 V HA -0.246 3.873 4.120 -0.000 0.000 0.245 296 V C 2.245 178.489 176.094 0.249 0.000 1.045 296 V CA 1.706 64.087 62.300 0.136 0.000 1.024 296 V CB -0.924 30.993 31.823 0.157 0.000 0.651 296 V HN 0.346 nan 8.190 nan 0.000 0.449 297 A N 1.676 124.606 122.820 0.183 0.000 1.873 297 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 297 A C 2.363 180.048 177.584 0.168 0.000 1.193 297 A CA 2.456 54.604 52.037 0.185 0.000 0.629 297 A CB -0.615 18.447 19.000 0.103 0.000 0.826 297 A HN 0.710 nan 8.150 nan 0.000 0.447 298 R N -2.244 118.321 120.500 0.109 0.000 2.148 298 R HA -0.131 4.209 4.340 -0.000 0.000 0.227 298 R C 2.053 178.377 176.300 0.041 0.000 1.103 298 R CA 1.618 57.758 56.100 0.067 0.000 0.983 298 R CB -0.737 29.586 30.300 0.038 0.000 0.874 298 R HN 0.547 nan 8.270 nan 0.000 0.451 299 Y N 0.686 120.925 120.300 -0.103 0.000 2.133 299 Y HA -0.169 4.380 4.550 -0.000 0.000 0.287 299 Y C 1.441 177.139 175.900 -0.335 0.000 1.134 299 Y CA 1.534 59.462 58.100 -0.286 0.000 1.133 299 Y CB -0.270 37.929 38.460 -0.435 0.000 0.987 299 Y HN 0.036 nan 8.280 nan 0.000 0.502 300 W N 0.089 121.426 121.300 0.061 0.000 2.518 300 W HA -0.069 4.591 4.660 -0.000 0.000 0.273 300 W C 2.485 178.978 176.519 -0.043 0.000 1.247 300 W CA 0.903 58.234 57.345 -0.024 0.000 1.288 300 W CB -0.411 29.087 29.460 0.063 0.000 1.107 300 W HN 0.109 nan 8.180 nan 0.000 0.586 301 Q N 0.540 120.440 119.800 0.167 0.000 2.181 301 Q HA -0.228 4.112 4.340 -0.000 0.000 0.205 301 Q C 2.075 178.097 176.000 0.037 0.000 0.980 301 Q CA 1.532 57.398 55.803 0.105 0.000 0.862 301 Q CB -0.399 28.386 28.738 0.080 0.000 0.905 301 Q HN 0.140 nan 8.270 nan 0.000 0.429 302 Q N -0.631 119.138 119.800 -0.052 0.000 2.181 302 Q HA -0.105 4.235 4.340 -0.000 0.000 0.205 302 Q C 2.092 178.068 176.000 -0.041 0.000 0.980 302 Q CA 1.337 57.084 55.803 -0.094 0.000 0.862 302 Q CB -0.317 28.293 28.738 -0.214 0.000 0.905 302 Q HN 0.359 nan 8.270 nan 0.000 0.429 303 V N 1.056 120.972 119.914 0.003 0.000 2.332 303 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 303 V C 2.220 178.429 176.094 0.191 0.000 1.055 303 V CA 1.343 63.710 62.300 0.112 0.000 1.038 303 V CB -0.470 31.468 31.823 0.191 0.000 0.651 303 V HN 0.259 nan 8.190 nan 0.000 0.450 304 I N 0.094 120.763 120.570 0.166 0.000 2.286 304 I HA -0.118 4.052 4.170 -0.000 0.000 0.245 304 I C 2.219 178.354 176.117 0.031 0.000 1.104 304 I CA 1.341 62.715 61.300 0.124 0.000 1.397 304 I CB -1.387 36.685 38.000 0.120 0.000 1.072 304 I HN 0.318 nan 8.210 nan 0.000 0.417 305 D N 0.354 120.773 120.400 0.031 0.000 2.144 305 D HA -0.198 4.442 4.640 -0.000 0.000 0.199 305 D C 2.096 178.417 176.300 0.035 0.000 0.984 305 D CA 1.007 55.017 54.000 0.017 0.000 0.834 305 D CB -0.198 40.600 40.800 -0.003 0.000 0.955 305 D HN 0.174 nan 8.370 nan 0.000 0.465 306 M N 0.855 120.477 119.600 0.037 0.000 2.132 306 M HA -0.102 4.378 4.480 -0.000 0.000 0.263 306 M C 1.549 177.885 176.300 0.061 0.000 1.065 306 M CA 1.368 56.722 55.300 0.090 0.000 1.122 306 M CB -0.573 32.066 32.600 0.066 0.000 1.365 306 M HN -0.158 nan 8.290 nan 0.000 0.411 307 N N 0.389 119.055 118.700 -0.057 0.000 2.104 307 N HA -0.179 4.560 4.740 -0.000 0.000 0.190 307 N C 1.178 176.553 175.510 -0.225 0.000 1.024 307 N CA 1.931 54.818 53.050 -0.271 0.000 0.853 307 N CB -0.271 37.779 38.487 -0.728 0.000 1.008 307 N HN 0.398 nan 8.380 nan 0.000 0.424 308 D N -1.057 119.259 120.400 -0.141 0.000 2.144 308 D HA -0.174 4.466 4.640 -0.000 0.000 0.199 308 D C 1.588 177.899 176.300 0.019 0.000 0.984 308 D CA 0.775 54.727 54.000 -0.080 0.000 0.834 308 D CB -0.475 40.307 40.800 -0.030 0.000 0.955 308 D HN 0.428 nan 8.370 nan 0.000 0.465 309 Y N 1.510 121.770 120.300 -0.067 0.000 2.200 309 Y HA -0.211 4.339 4.550 -0.000 0.000 0.290 309 Y C 2.371 178.242 175.900 -0.048 0.000 1.137 309 Y CA 1.648 59.717 58.100 -0.051 0.000 1.163 309 Y CB -0.413 38.020 38.460 -0.045 0.000 0.988 309 Y HN -0.144 nan 8.280 nan 0.000 0.518 310 Q N 0.643 120.286 119.800 -0.261 0.000 2.096 310 Q HA -0.179 4.160 4.340 -0.000 0.000 0.204 310 Q C 2.266 178.129 176.000 -0.229 0.000 0.982 310 Q CA 2.095 57.700 55.803 -0.330 0.000 0.850 310 Q CB -0.177 28.452 28.738 -0.182 0.000 0.901 310 Q HN 0.498 nan 8.270 nan 0.000 0.422 311 R N -0.716 119.697 120.500 -0.147 0.000 2.062 311 R HA -0.036 4.303 4.340 -0.000 0.000 0.231 311 R C 2.515 178.814 176.300 -0.002 0.000 1.136 311 R CA 1.443 57.528 56.100 -0.024 0.000 0.948 311 R CB -0.322 29.984 30.300 0.011 0.000 0.845 311 R HN 0.175 nan 8.270 nan 0.000 0.430 312 R N 1.256 121.701 120.500 -0.092 0.000 2.091 312 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 312 R C 2.432 178.548 176.300 -0.308 0.000 1.136 312 R CA 2.041 57.944 56.100 -0.328 0.000 0.959 312 R CB -0.116 30.075 30.300 -0.182 0.000 0.856 312 R HN 0.222 nan 8.270 nan 0.000 0.437 313 R N -0.946 119.382 120.500 -0.287 0.000 2.148 313 R HA -0.121 4.219 4.340 -0.000 0.000 0.223 313 R C 2.003 178.208 176.300 -0.158 0.000 1.088 313 R CA 1.329 57.267 56.100 -0.270 0.000 0.985 313 R CB -0.695 29.331 30.300 -0.456 0.000 0.880 313 R HN 0.219 nan 8.270 nan 0.000 0.451 314 F N 2.241 122.038 119.950 -0.255 0.000 2.102 314 F HA 0.001 4.528 4.527 -0.000 0.000 0.298 314 F C 2.463 178.120 175.800 -0.238 0.000 1.105 314 F CA 1.417 59.301 58.000 -0.193 0.000 1.239 314 F CB -0.433 38.486 39.000 -0.134 0.000 0.991 314 F HN 0.147 nan 8.300 nan 0.000 0.474 315 A N -0.721 121.987 122.820 -0.186 0.000 1.902 315 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 315 A C 2.342 179.693 177.584 -0.388 0.000 1.181 315 A CA 2.064 53.919 52.037 -0.303 0.000 0.623 315 A CB -1.208 17.629 19.000 -0.271 0.000 0.818 315 A HN 0.409 nan 8.150 nan 0.000 0.443 316 S N -0.919 114.575 115.700 -0.343 0.000 2.428 316 S HA -0.104 4.366 4.470 -0.000 0.000 0.230 316 S C 2.021 176.446 174.600 -0.291 0.000 1.014 316 S CA 0.969 58.998 58.200 -0.285 0.000 0.957 316 S CB -0.303 62.766 63.200 -0.218 0.000 0.784 316 S HN 0.653 nan 8.310 nan 0.000 0.499 317 R N 1.223 121.527 120.500 -0.327 0.000 2.081 317 R HA -0.044 4.296 4.340 -0.000 0.000 0.235 317 R C 2.043 178.037 176.300 -0.510 0.000 1.131 317 R CA 1.292 57.205 56.100 -0.312 0.000 0.960 317 R CB -0.432 29.719 30.300 -0.248 0.000 0.856 317 R HN 0.379 nan 8.270 nan 0.000 0.436 318 I N 0.723 120.772 120.570 -0.868 0.000 2.142 318 I HA -0.316 3.854 4.170 -0.000 0.000 0.240 318 I C 2.331 178.033 176.117 -0.693 0.000 1.078 318 I CA 1.408 61.965 61.300 -1.238 0.000 1.343 318 I CB -0.255 37.014 38.000 -1.217 0.000 1.046 318 I HN 0.163 nan 8.210 nan 0.000 0.405 319 I N 0.587 120.870 120.570 -0.477 0.000 2.142 319 I HA -0.309 3.860 4.170 -0.000 0.000 0.240 319 I C 2.128 178.073 176.117 -0.286 0.000 1.078 319 I CA 1.475 62.577 61.300 -0.329 0.000 1.343 319 I CB -0.566 37.291 38.000 -0.238 0.000 1.046 319 I HN 0.222 nan 8.210 nan 0.000 0.405 320 D N 0.530 120.781 120.400 -0.249 0.000 2.123 320 D HA -0.147 4.493 4.640 -0.000 0.000 0.196 320 D C 2.414 178.585 176.300 -0.216 0.000 0.992 320 D CA 1.451 55.345 54.000 -0.176 0.000 0.833 320 D CB -0.273 40.452 40.800 -0.125 0.000 0.954 320 D HN 0.187 nan 8.370 nan 0.000 0.455 321 S N 0.114 115.643 115.700 -0.285 0.000 2.382 321 S HA -0.088 4.382 4.470 -0.000 0.000 0.228 321 S C 1.231 175.325 174.600 -0.844 0.000 1.027 321 S CA 0.374 58.355 58.200 -0.366 0.000 0.991 321 S CB -0.010 63.089 63.200 -0.168 0.000 0.823 321 S HN 0.117 nan 8.310 nan 0.000 0.469 322 L N 1.835 122.561 121.223 -0.830 0.000 2.922 322 L HA 0.358 4.698 4.340 -0.000 0.000 0.244 322 L C -0.396 176.155 176.870 -0.533 0.000 1.324 322 L CA 0.206 54.513 54.840 -0.889 0.000 1.172 322 L CB -1.912 39.807 42.059 -0.567 0.000 1.545 322 L HN 0.231 nan 8.230 nan 0.000 0.438 323 F N -0.867 119.029 119.950 -0.090 0.000 3.074 323 F HA -0.377 4.150 4.527 -0.000 0.000 0.289 323 F C 1.128 176.891 175.800 -0.062 0.000 0.863 323 F CA 0.310 58.286 58.000 -0.040 0.000 1.121 323 F CB -2.096 36.901 39.000 -0.004 0.000 1.169 323 F HN 0.533 nan 8.300 nan 0.000 0.570 324 N N -1.216 117.475 118.700 -0.014 0.000 2.753 324 N HA -0.206 4.534 4.740 -0.000 0.000 0.251 324 N C 0.061 175.546 175.510 -0.042 0.000 1.097 324 N CA 1.530 54.558 53.050 -0.036 0.000 0.786 324 N CB -1.011 37.477 38.487 0.002 0.000 1.137 324 N HN 0.638 nan 8.380 nan 0.000 0.566 325 T N -1.206 113.316 114.554 -0.053 0.000 3.172 325 T HA 0.470 4.819 4.350 -0.000 0.000 0.320 325 T C 0.349 174.979 174.700 -0.118 0.000 1.085 325 T CA -0.133 61.927 62.100 -0.066 0.000 1.052 325 T CB 1.524 70.375 68.868 -0.028 0.000 1.107 325 T HN 0.136 nan 8.240 nan 0.000 0.458 326 V N 1.599 121.430 119.914 -0.138 0.000 3.346 326 V HA 0.427 4.547 4.120 -0.000 0.000 0.309 326 V C 0.710 176.704 176.094 -0.167 0.000 1.457 326 V CA -0.178 62.016 62.300 -0.176 0.000 1.069 326 V CB -0.335 31.381 31.823 -0.178 0.000 0.944 326 V HN 0.837 nan 8.190 nan 0.000 0.449 327 T N 3.023 117.497 114.554 -0.134 0.000 2.871 327 T HA 0.137 4.487 4.350 -0.000 0.000 0.296 327 T C 0.556 175.141 174.700 -0.190 0.000 0.998 327 T CA 1.288 63.305 62.100 -0.139 0.000 1.162 327 T CB 0.000 68.819 68.868 -0.083 0.000 0.947 327 T HN 0.701 nan 8.240 nan 0.000 0.536 328 D N 0.473 120.670 120.400 -0.339 0.000 3.046 328 D HA -0.143 4.497 4.640 -0.000 0.000 0.210 328 D C 0.064 176.174 176.300 -0.316 0.000 1.124 328 D CA 1.140 54.848 54.000 -0.487 0.000 0.986 328 D CB -0.633 40.084 40.800 -0.139 0.000 1.118 328 D HN 0.597 nan 8.370 nan 0.000 0.416 329 K N 1.108 121.362 120.400 -0.243 0.000 2.258 329 K HA 0.241 4.560 4.320 -0.000 0.000 0.284 329 K C 0.589 177.235 176.600 0.077 0.000 1.051 329 K CA -0.400 55.824 56.287 -0.105 0.000 0.923 329 K CB 1.680 33.951 32.500 -0.382 0.000 1.046 329 K HN 0.008 nan 8.250 nan 0.000 0.474 330 K N 4.343 124.911 120.400 0.280 0.000 2.379 330 K HA 0.149 4.469 4.320 -0.000 0.000 0.284 330 K C -0.737 175.993 176.600 0.217 0.000 1.044 330 K CA 0.086 56.523 56.287 0.251 0.000 0.974 330 K CB 0.351 32.929 32.500 0.131 0.000 0.962 330 K HN 0.503 nan 8.250 nan 0.000 0.474 331 I N 3.625 124.309 120.570 0.191 0.000 2.499 331 I HA 0.272 4.441 4.170 -0.000 0.000 0.288 331 I C -0.449 175.769 176.117 0.168 0.000 1.048 331 I CA -1.018 60.379 61.300 0.161 0.000 1.062 331 I CB 2.024 40.089 38.000 0.109 0.000 1.238 331 I HN 0.680 nan 8.210 nan 0.000 0.426 332 A N 7.572 130.476 122.820 0.141 0.000 2.366 332 A HA 0.672 4.991 4.320 -0.000 0.000 0.272 332 A C -0.422 177.241 177.584 0.131 0.000 1.135 332 A CA -0.280 51.836 52.037 0.131 0.000 0.804 332 A CB 0.317 19.362 19.000 0.075 0.000 1.064 332 A HN 0.527 nan 8.150 nan 0.000 0.499 333 I N 3.874 124.534 120.570 0.150 0.000 2.354 333 I HA 0.232 4.401 4.170 -0.000 0.000 0.286 333 I C -0.498 175.694 176.117 0.125 0.000 1.007 333 I CA -0.115 61.278 61.300 0.155 0.000 1.167 333 I CB 0.799 38.934 38.000 0.224 0.000 1.320 333 I HN 0.496 nan 8.210 nan 0.000 0.458 334 L N 5.936 127.153 121.223 -0.011 0.000 2.264 334 L HA 0.683 5.023 4.340 -0.000 0.000 0.287 334 L C 0.507 177.359 176.870 -0.031 0.000 1.039 334 L CA -0.443 54.249 54.840 -0.246 0.000 0.829 334 L CB 1.130 42.623 42.059 -0.942 0.000 1.211 334 L HN 0.865 nan 8.230 nan 0.000 0.427 335 G N 2.132 111.169 108.800 0.394 0.000 3.355 335 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.686 335 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.686 335 G C -0.779 174.386 174.900 0.440 0.000 1.097 335 G CA -0.634 44.832 45.100 0.610 0.000 0.881 335 G HN 0.530 nan 8.290 nan 0.000 0.550 336 F N 2.175 122.289 119.950 0.274 0.000 2.747 336 F HA 0.636 5.163 4.527 -0.000 0.000 0.305 336 F C 1.819 177.740 175.800 0.202 0.000 1.065 336 F CA 1.201 59.311 58.000 0.184 0.000 1.230 336 F CB 0.365 39.431 39.000 0.111 0.000 1.027 336 F HN 0.984 nan 8.300 nan 0.000 0.607 337 A N 0.624 123.669 122.820 0.374 0.000 2.448 337 A HA 0.162 4.481 4.320 -0.000 0.000 0.239 337 A C 0.828 178.468 177.584 0.094 0.000 1.080 337 A CA 0.119 52.311 52.037 0.257 0.000 0.779 337 A CB -0.512 18.667 19.000 0.299 0.000 1.026 337 A HN 0.546 nan 8.150 nan 0.000 0.499 338 F N -0.122 119.809 119.950 -0.031 0.000 2.558 338 F HA 0.233 4.759 4.527 -0.000 0.000 0.298 338 F C 0.629 176.362 175.800 -0.113 0.000 1.119 338 F CA 0.602 58.556 58.000 -0.077 0.000 1.451 338 F CB -0.204 38.752 39.000 -0.073 0.000 1.091 338 F HN 0.592 nan 8.300 nan 0.000 0.563 339 K N 0.440 120.379 120.400 -0.769 0.000 2.617 339 K HA 0.339 4.659 4.320 -0.000 0.000 0.293 339 K C -1.392 174.720 176.600 -0.813 0.000 1.034 339 K CA -1.248 54.613 56.287 -0.711 0.000 0.884 339 K CB 1.211 33.238 32.500 -0.790 0.000 1.541 339 K HN 0.132 nan 8.250 nan 0.000 0.409 340 K N 0.250 120.153 120.400 -0.830 0.000 2.168 340 K HA 0.203 4.523 4.320 -0.000 0.000 0.258 340 K C -0.765 175.369 176.600 -0.776 0.000 1.010 340 K CA 0.095 55.638 56.287 -1.239 0.000 0.929 340 K CB 0.297 32.220 32.500 -0.962 0.000 0.998 340 K HN 0.659 nan 8.250 nan 0.000 0.479 341 D N -0.686 119.288 120.400 -0.711 0.000 3.017 341 D HA -0.140 4.500 4.640 -0.000 0.000 0.220 341 D C -0.942 175.463 176.300 0.175 0.000 1.141 341 D CA 1.629 55.650 54.000 0.035 0.000 0.848 341 D CB -1.308 39.482 40.800 -0.016 0.000 1.102 341 D HN 0.759 nan 8.370 nan 0.000 0.427 342 T N -2.319 112.353 114.554 0.196 0.000 2.894 342 T HA 0.587 4.937 4.350 -0.000 0.000 0.309 342 T C 0.901 175.870 174.700 0.448 0.000 1.208 342 T CA 0.110 62.398 62.100 0.313 0.000 1.016 342 T CB 1.742 70.645 68.868 0.058 0.000 1.192 342 T HN -0.054 nan 8.240 nan 0.000 0.491 343 G N 1.268 110.334 108.800 0.443 0.000 3.088 343 G HA2 0.176 4.135 3.960 -0.000 0.000 0.217 343 G HA3 0.176 4.135 3.960 -0.000 0.000 0.217 343 G C 0.219 175.311 174.900 0.321 0.000 1.159 343 G CA -0.137 45.168 45.100 0.340 0.000 0.760 343 G HN 0.663 nan 8.290 nan 0.000 0.550 344 D N 0.940 121.543 120.400 0.338 0.000 2.390 344 D HA 0.204 4.844 4.640 -0.000 0.000 0.249 344 D C 1.554 178.058 176.300 0.340 0.000 1.144 344 D CA 0.323 54.489 54.000 0.276 0.000 0.880 344 D CB 1.455 42.315 40.800 0.101 0.000 1.182 344 D HN 0.102 nan 8.370 nan 0.000 0.451 345 T N 0.317 115.015 114.554 0.241 0.000 3.044 345 T HA 0.194 4.544 4.350 -0.000 0.000 0.260 345 T C 0.857 175.607 174.700 0.083 0.000 1.019 345 T CA -0.446 61.787 62.100 0.221 0.000 0.921 345 T CB 0.046 69.085 68.868 0.285 0.000 1.053 345 T HN 0.245 nan 8.240 nan 0.000 0.533 346 R N 2.752 123.235 120.500 -0.028 0.000 2.486 346 R HA 0.061 4.401 4.340 -0.000 0.000 0.303 346 R C 0.111 176.315 176.300 -0.161 0.000 0.958 346 R CA 0.199 56.230 56.100 -0.117 0.000 1.077 346 R CB -0.085 30.099 30.300 -0.193 0.000 0.921 346 R HN 0.321 nan 8.270 nan 0.000 0.406 347 E N -0.365 119.819 120.200 -0.027 0.000 2.722 347 E HA -0.236 4.114 4.350 -0.000 0.000 0.265 347 E C -0.332 176.324 176.600 0.094 0.000 1.081 347 E CA 1.021 57.472 56.400 0.085 0.000 0.781 347 E CB -1.348 28.371 29.700 0.031 0.000 1.372 347 E HN 0.620 nan 8.360 nan 0.000 0.423 348 S N -0.197 115.533 115.700 0.050 0.000 2.546 348 S HA 0.106 4.576 4.470 -0.000 0.000 0.290 348 S C 1.513 176.149 174.600 0.060 0.000 1.290 348 S CA 0.509 58.736 58.200 0.044 0.000 1.069 348 S CB 0.863 64.011 63.200 -0.088 0.000 0.846 348 S HN 0.245 nan 8.310 nan 0.000 0.495 349 S N 3.888 119.612 115.700 0.040 0.000 2.419 349 S HA -0.104 4.366 4.470 -0.000 0.000 0.235 349 S C 2.098 176.710 174.600 0.020 0.000 1.019 349 S CA 1.499 59.724 58.200 0.041 0.000 0.982 349 S CB -0.311 62.860 63.200 -0.048 0.000 0.789 349 S HN 0.804 nan 8.310 nan 0.000 0.490 350 S N 1.661 117.285 115.700 -0.127 0.000 2.400 350 S HA -0.048 4.422 4.470 -0.000 0.000 0.232 350 S C 1.709 176.109 174.600 -0.332 0.000 1.025 350 S CA 1.015 59.067 58.200 -0.247 0.000 0.993 350 S CB -0.402 62.509 63.200 -0.483 0.000 0.808 350 S HN 0.475 nan 8.310 nan 0.000 0.478 351 I N -0.028 120.283 120.570 -0.432 0.000 2.179 351 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 351 I C 2.059 178.038 176.117 -0.229 0.000 1.088 351 I CA 1.418 62.534 61.300 -0.306 0.000 1.357 351 I CB -0.390 37.410 38.000 -0.334 0.000 1.051 351 I HN 0.242 nan 8.210 nan 0.000 0.409 352 Y N 0.126 120.346 120.300 -0.133 0.000 2.220 352 Y HA -0.165 4.385 4.550 -0.000 0.000 0.291 352 Y C 2.442 178.285 175.900 -0.094 0.000 1.129 352 Y CA 0.936 58.933 58.100 -0.173 0.000 1.161 352 Y CB -0.273 38.108 38.460 -0.133 0.000 0.997 352 Y HN 0.030 nan 8.280 nan 0.000 0.522 353 I N -0.786 119.911 120.570 0.212 0.000 2.226 353 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 353 I C 2.329 178.547 176.117 0.169 0.000 1.100 353 I CA 1.281 62.740 61.300 0.265 0.000 1.374 353 I CB -1.512 36.643 38.000 0.259 0.000 1.057 353 I HN 0.114 nan 8.210 nan 0.000 0.413 354 S N 0.787 116.556 115.700 0.116 0.000 2.359 354 S HA -0.207 4.263 4.470 -0.000 0.000 0.224 354 S C 1.973 176.608 174.600 0.059 0.000 1.035 354 S CA 1.409 59.680 58.200 0.119 0.000 1.018 354 S CB -0.180 63.141 63.200 0.202 0.000 0.876 354 S HN 0.428 nan 8.310 nan 0.000 0.448 355 K N -0.128 120.253 120.400 -0.031 0.000 2.057 355 K HA -0.090 4.230 4.320 -0.000 0.000 0.207 355 K C 1.936 178.505 176.600 -0.052 0.000 1.049 355 K CA 1.391 57.620 56.287 -0.097 0.000 0.931 355 K CB -0.338 32.019 32.500 -0.237 0.000 0.714 355 K HN 0.471 nan 8.250 nan 0.000 0.440 356 Y N 1.075 121.385 120.300 0.017 0.000 2.165 356 Y HA -0.217 4.333 4.550 -0.000 0.000 0.286 356 Y C 2.188 178.074 175.900 -0.024 0.000 1.155 356 Y CA 0.704 58.805 58.100 0.000 0.000 1.164 356 Y CB -0.100 38.360 38.460 -0.000 0.000 0.978 356 Y HN -0.014 nan 8.280 nan 0.000 0.513 357 L N -0.995 120.310 121.223 0.137 0.000 2.109 357 L HA -0.211 4.128 4.340 -0.000 0.000 0.207 357 L C 2.266 179.157 176.870 0.034 0.000 1.086 357 L CA 1.018 55.886 54.840 0.047 0.000 0.760 357 L CB -0.428 41.645 42.059 0.024 0.000 0.910 357 L HN 0.317 nan 8.230 nan 0.000 0.437 358 M N -0.410 119.217 119.600 0.045 0.000 2.213 358 M HA -0.209 4.270 4.480 -0.000 0.000 0.263 358 M C 1.550 177.866 176.300 0.026 0.000 1.062 358 M CA 1.434 56.755 55.300 0.035 0.000 1.105 358 M CB -0.431 32.187 32.600 0.030 0.000 1.385 358 M HN 0.161 nan 8.290 nan 0.000 0.417 359 D N 0.291 120.712 120.400 0.035 0.000 2.218 359 D HA -0.120 4.519 4.640 -0.000 0.000 0.204 359 D C 1.775 178.088 176.300 0.023 0.000 0.976 359 D CA 0.987 55.009 54.000 0.035 0.000 0.853 359 D CB -0.191 40.650 40.800 0.068 0.000 0.939 359 D HN 0.376 nan 8.370 nan 0.000 0.481 360 E N -0.342 119.865 120.200 0.012 0.000 2.442 360 E HA 0.105 4.455 4.350 -0.000 0.000 0.195 360 E C 1.372 177.951 176.600 -0.035 0.000 1.030 360 E CA 0.532 56.921 56.400 -0.018 0.000 0.869 360 E CB 0.355 30.030 29.700 -0.042 0.000 0.857 360 E HN 0.285 nan 8.360 nan 0.000 0.505 361 G N 1.463 110.250 108.800 -0.023 0.000 2.137 361 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.237 361 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.237 361 G C 0.459 175.290 174.900 -0.115 0.000 1.002 361 G CA 0.203 45.280 45.100 -0.038 0.000 0.702 361 G HN 0.502 nan 8.290 nan 0.000 0.515 362 A N -0.246 122.526 122.820 -0.081 0.000 2.386 362 A HA 0.613 4.933 4.320 -0.000 0.000 0.248 362 A C 0.236 177.823 177.584 0.006 0.000 1.082 362 A CA 0.057 52.034 52.037 -0.100 0.000 0.789 362 A CB 0.236 19.213 19.000 -0.038 0.000 1.025 362 A HN 0.657 nan 8.150 nan 0.000 0.490 363 H N 1.194 120.313 119.070 0.083 0.000 2.685 363 H HA 0.376 4.932 4.556 -0.000 0.000 0.286 363 H C -0.715 174.732 175.328 0.198 0.000 1.102 363 H CA -0.526 55.595 56.048 0.123 0.000 1.254 363 H CB 0.505 30.367 29.762 0.166 0.000 1.397 363 H HN 0.458 nan 8.280 nan 0.000 0.473 364 L N 4.419 125.790 121.223 0.246 0.000 2.305 364 L HA 0.259 4.599 4.340 -0.000 0.000 0.281 364 L C 0.248 177.223 176.870 0.175 0.000 1.085 364 L CA -0.318 54.651 54.840 0.213 0.000 0.813 364 L CB 0.682 42.821 42.059 0.133 0.000 1.157 364 L HN 0.649 nan 8.230 nan 0.000 0.436 365 H N 4.963 124.087 119.070 0.090 0.000 2.587 365 H HA 0.469 5.025 4.556 -0.000 0.000 0.325 365 H C -0.649 174.729 175.328 0.083 0.000 1.012 365 H CA -0.570 55.521 56.048 0.071 0.000 1.213 365 H CB 2.066 31.869 29.762 0.068 0.000 1.431 365 H HN 0.429 nan 8.280 nan 0.000 0.492 366 I N 3.823 124.471 120.570 0.130 0.000 2.404 366 I HA 0.155 4.325 4.170 -0.000 0.000 0.293 366 I C -0.900 175.302 176.117 0.142 0.000 0.992 366 I CA -0.815 60.557 61.300 0.119 0.000 1.149 366 I CB 1.349 39.350 38.000 0.002 0.000 1.315 366 I HN 0.474 nan 8.210 nan 0.000 0.446 367 Y N 6.079 126.419 120.300 0.066 0.000 2.391 367 Y HA 0.515 5.065 4.550 -0.000 0.000 0.341 367 Y C -1.333 174.645 175.900 0.130 0.000 0.965 367 Y CA -0.681 57.454 58.100 0.057 0.000 1.067 367 Y CB 1.497 39.983 38.460 0.043 0.000 1.199 367 Y HN 0.535 nan 8.280 nan 0.000 0.450 368 D N 7.508 127.378 120.400 -0.883 0.000 2.947 368 D HA 0.265 4.905 4.640 -0.000 0.000 0.224 368 D C -2.359 173.262 176.300 -1.131 0.000 1.230 368 D CA -1.860 51.694 54.000 -0.742 0.000 0.871 368 D CB 3.276 43.995 40.800 -0.135 0.000 1.671 368 D HN 0.370 nan 8.370 nan 0.000 0.507 369 P HA -0.005 nan 4.420 nan 0.000 0.223 369 P C 0.719 177.605 177.300 -0.690 0.000 1.151 369 P CA 0.775 63.346 63.100 -0.881 0.000 0.787 369 P CB 0.850 31.948 31.700 -1.002 0.000 0.788 370 K N -1.258 118.758 120.400 -0.640 0.000 2.462 370 K HA 0.166 4.485 4.320 -0.000 0.000 0.201 370 K C 0.252 176.768 176.600 -0.140 0.000 1.268 370 K CA 0.190 56.258 56.287 -0.366 0.000 0.933 370 K CB 0.223 32.572 32.500 -0.250 0.000 1.162 370 K HN -0.171 nan 8.250 nan 0.000 0.527 371 V N 4.675 124.553 119.914 -0.060 0.000 2.529 371 V HA 0.133 4.253 4.120 -0.000 0.000 0.292 371 V C -2.222 173.836 176.094 -0.060 0.000 1.028 371 V CA -1.393 60.922 62.300 0.025 0.000 1.074 371 V CB 0.384 32.288 31.823 0.137 0.000 0.958 371 V HN 0.161 nan 8.190 nan 0.000 0.481 372 P HA 0.144 nan 4.420 nan 0.000 0.268 372 P C 0.756 178.005 177.300 -0.086 0.000 1.204 372 P CA -0.399 62.663 63.100 -0.063 0.000 0.768 372 P CB 0.435 32.112 31.700 -0.039 0.000 0.842 373 R N 2.187 122.628 120.500 -0.099 0.000 2.139 373 R HA -0.214 4.126 4.340 -0.000 0.000 0.243 373 R C 0.964 177.196 176.300 -0.113 0.000 1.145 373 R CA 1.676 57.704 56.100 -0.120 0.000 0.976 373 R CB -0.757 29.485 30.300 -0.096 0.000 0.866 373 R HN 0.289 nan 8.270 nan 0.000 0.449 374 E N 0.726 120.879 120.200 -0.078 0.000 2.150 374 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 374 E C 1.955 178.523 176.600 -0.054 0.000 0.985 374 E CA 1.247 57.610 56.400 -0.061 0.000 0.814 374 E CB -0.094 29.580 29.700 -0.043 0.000 0.752 374 E HN 0.358 nan 8.360 nan 0.000 0.466 375 Q N 0.482 120.256 119.800 -0.043 0.000 2.119 375 Q HA -0.028 4.311 4.340 -0.000 0.000 0.201 375 Q C 1.818 177.799 176.000 -0.032 0.000 0.972 375 Q CA 1.193 56.992 55.803 -0.006 0.000 0.847 375 Q CB -0.094 28.669 28.738 0.042 0.000 0.903 375 Q HN 0.356 nan 8.270 nan 0.000 0.433 376 I N -0.787 119.683 120.570 -0.167 0.000 2.179 376 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 376 I C 1.997 177.969 176.117 -0.241 0.000 1.088 376 I CA 0.893 61.936 61.300 -0.429 0.000 1.357 376 I CB -0.394 37.177 38.000 -0.714 0.000 1.051 376 I HN 0.046 nan 8.210 nan 0.000 0.409 377 V N 0.518 120.334 119.914 -0.163 0.000 2.287 377 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 377 V C 2.490 178.552 176.094 -0.052 0.000 1.053 377 V CA 1.640 63.879 62.300 -0.101 0.000 1.027 377 V CB -0.519 31.254 31.823 -0.083 0.000 0.646 377 V HN 0.232 nan 8.190 nan 0.000 0.447 378 V N 0.295 120.189 119.914 -0.033 0.000 2.287 378 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 378 V C 2.330 178.432 176.094 0.013 0.000 1.053 378 V CA 2.378 64.674 62.300 -0.006 0.000 1.027 378 V CB -0.731 31.095 31.823 0.006 0.000 0.646 378 V HN 0.576 nan 8.190 nan 0.000 0.447 379 D N -0.084 120.344 120.400 0.046 0.000 2.149 379 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 379 D C 1.863 178.199 176.300 0.059 0.000 0.990 379 D CA 1.269 55.323 54.000 0.090 0.000 0.839 379 D CB -0.136 40.820 40.800 0.260 0.000 0.948 379 D HN 0.372 nan 8.370 nan 0.000 0.460 380 L N 0.082 121.336 121.223 0.052 0.000 2.592 380 L HA 0.093 4.433 4.340 -0.000 0.000 0.227 380 L C 0.770 177.633 176.870 -0.011 0.000 1.127 380 L CA -0.012 54.843 54.840 0.025 0.000 0.884 380 L CB 0.226 42.306 42.059 0.035 0.000 1.065 380 L HN -0.218 nan 8.230 nan 0.000 0.457 381 S N -1.444 114.248 115.700 -0.014 0.000 2.652 381 S HA 0.454 4.924 4.470 -0.000 0.000 0.270 381 S C 0.441 175.030 174.600 -0.018 0.000 1.243 381 S CA -0.366 57.824 58.200 -0.017 0.000 0.999 381 S CB 0.673 63.863 63.200 -0.016 0.000 0.973 381 S HN 0.436 nan 8.310 nan 0.000 0.544 390 Q N -0.481 119.319 119.800 0.000 0.000 2.061 390 Q HA -0.095 4.245 4.340 -0.000 0.000 0.204 390 Q C 1.972 177.974 176.000 0.003 0.000 0.984 390 Q CA 2.455 58.262 55.803 0.007 0.000 0.846 390 Q CB -0.074 28.668 28.738 0.006 0.000 0.902 390 Q HN 0.405 nan 8.270 nan 0.000 0.421 391 V N 0.054 119.962 119.914 -0.010 0.000 2.295 391 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 391 V C 2.264 178.337 176.094 -0.034 0.000 1.049 391 V CA 1.913 64.200 62.300 -0.022 0.000 1.024 391 V CB -0.643 31.161 31.823 -0.031 0.000 0.648 391 V HN 0.320 nan 8.190 nan 0.000 0.447 392 S N -0.465 115.216 115.700 -0.031 0.000 2.365 392 S HA -0.246 4.224 4.470 -0.000 0.000 0.225 392 S C 2.119 176.693 174.600 -0.044 0.000 1.039 392 S CA 1.788 59.965 58.200 -0.039 0.000 1.033 392 S CB -0.324 62.858 63.200 -0.029 0.000 0.887 392 S HN 0.536 nan 8.310 nan 0.000 0.447 393 R N 0.112 120.598 120.500 -0.024 0.000 2.090 393 R HA 0.149 4.489 4.340 -0.000 0.000 0.228 393 R C 1.824 178.110 176.300 -0.023 0.000 1.110 393 R CA 0.936 57.025 56.100 -0.019 0.000 0.973 393 R CB -0.146 30.166 30.300 0.020 0.000 0.869 393 R HN 0.363 nan 8.270 nan 0.000 0.440 394 L N -0.334 120.899 121.223 0.016 0.000 2.642 394 L HA 0.217 4.556 4.340 -0.000 0.000 0.233 394 L C -0.034 176.851 176.870 0.025 0.000 1.077 394 L CA -0.085 54.811 54.840 0.093 0.000 0.879 394 L CB 0.992 43.121 42.059 0.117 0.000 1.151 394 L HN -0.144 nan 8.230 nan 0.000 0.495 395 V N 0.214 120.100 119.914 -0.046 0.000 2.398 395 V HA 0.387 4.507 4.120 -0.000 0.000 0.286 395 V C -0.219 175.768 176.094 -0.178 0.000 1.026 395 V CA -0.236 62.011 62.300 -0.089 0.000 0.868 395 V CB 1.644 33.428 31.823 -0.065 0.000 0.982 395 V HN 0.066 nan 8.190 nan 0.000 0.443 396 T N 6.003 120.384 114.554 -0.288 0.000 2.824 396 T HA 0.636 4.986 4.350 -0.000 0.000 0.282 396 T C -0.386 174.193 174.700 -0.202 0.000 0.993 396 T CA -0.243 61.660 62.100 -0.330 0.000 0.967 396 T CB 1.436 69.899 68.868 -0.674 0.000 0.960 396 T HN 0.368 nan 8.240 nan 0.000 0.441 397 I N 2.636 123.130 120.570 -0.127 0.000 2.312 397 I HA 0.295 4.465 4.170 -0.000 0.000 0.290 397 I C 0.365 176.478 176.117 -0.007 0.000 1.008 397 I CA -0.320 60.934 61.300 -0.078 0.000 1.226 397 I CB 1.264 39.197 38.000 -0.111 0.000 1.371 397 I HN 0.523 nan 8.210 nan 0.000 0.468 398 S N 4.459 120.202 115.700 0.073 0.000 2.554 398 S HA 0.304 4.774 4.470 -0.000 0.000 0.278 398 S C 1.194 175.904 174.600 0.183 0.000 1.242 398 S CA -0.641 57.639 58.200 0.134 0.000 1.051 398 S CB 1.724 65.034 63.200 0.183 0.000 0.986 398 S HN 0.734 nan 8.310 nan 0.000 0.502 399 K N 1.223 121.701 120.400 0.130 0.000 2.288 399 K HA 0.044 4.364 4.320 -0.000 0.000 0.201 399 K C 0.276 176.976 176.600 0.168 0.000 1.048 399 K CA 1.736 58.104 56.287 0.135 0.000 0.956 399 K CB -0.748 31.790 32.500 0.064 0.000 0.746 399 K HN 0.927 nan 8.250 nan 0.000 0.461 400 D N -4.086 116.329 120.400 0.024 0.000 2.599 400 D HA 0.271 4.910 4.640 -0.000 0.000 0.252 400 D C -2.535 173.467 176.300 -0.497 0.000 1.232 400 D CA -1.375 52.421 54.000 -0.340 0.000 0.819 400 D CB 1.961 42.678 40.800 -0.139 0.000 1.401 400 D HN -0.143 nan 8.370 nan 0.000 0.429 401 P HA -0.114 nan 4.420 nan 0.000 0.221 401 P C 0.782 177.812 177.300 -0.450 0.000 1.150 401 P CA 1.029 63.744 63.100 -0.643 0.000 0.800 401 P CB -0.049 31.221 31.700 -0.717 0.000 0.787 402 Y N 0.834 121.022 120.300 -0.187 0.000 2.263 402 Y HA -0.081 4.469 4.550 -0.000 0.000 0.292 402 Y C 2.693 178.547 175.900 -0.077 0.000 1.130 402 Y CA 1.063 59.093 58.100 -0.115 0.000 1.179 402 Y CB -1.101 37.296 38.460 -0.105 0.000 0.998 402 Y HN 0.009 nan 8.280 nan 0.000 0.532 403 E N -0.020 120.218 120.200 0.064 0.000 2.058 403 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 403 E C 2.401 179.017 176.600 0.026 0.000 0.997 403 E CA 1.103 57.532 56.400 0.047 0.000 0.801 403 E CB -0.248 29.489 29.700 0.061 0.000 0.746 403 E HN 0.462 nan 8.360 nan 0.000 0.450 404 A N 0.201 123.034 122.820 0.021 0.000 1.933 404 A HA -0.187 4.132 4.320 -0.000 0.000 0.218 404 A C 2.266 179.831 177.584 -0.030 0.000 1.175 404 A CA 1.300 53.366 52.037 0.048 0.000 0.628 404 A CB -0.470 18.578 19.000 0.080 0.000 0.814 404 A HN 0.403 nan 8.150 nan 0.000 0.444 405 C N -0.165 119.115 119.300 -0.033 0.000 2.594 405 C HA 0.118 4.578 4.460 -0.000 0.000 0.265 405 C C 0.849 175.832 174.990 -0.010 0.000 1.351 405 C CA -0.529 58.486 59.018 -0.006 0.000 1.744 405 C CB -1.211 26.537 27.740 0.013 0.000 1.890 405 C HN 0.563 nan 8.230 nan 0.000 0.551 406 D N 0.518 120.901 120.400 -0.029 0.000 2.363 406 D HA 0.353 4.993 4.640 -0.000 0.000 0.263 406 D C 1.268 177.521 176.300 -0.078 0.000 1.258 406 D CA 1.491 55.471 54.000 -0.032 0.000 0.907 406 D CB 0.135 40.925 40.800 -0.017 0.000 1.107 406 D HN 0.493 nan 8.370 nan 0.000 0.495 407 G N 2.761 111.518 108.800 -0.071 0.000 2.155 407 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.257 407 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.257 407 G C 0.520 175.359 174.900 -0.103 0.000 0.983 407 G CA 0.379 45.424 45.100 -0.093 0.000 0.676 407 G HN 0.893 nan 8.290 nan 0.000 0.528 408 A N -0.499 122.281 122.820 -0.067 0.000 2.351 408 A HA 0.654 4.973 4.320 -0.000 0.000 0.257 408 A C 1.090 178.679 177.584 0.009 0.000 1.087 408 A CA 0.455 52.497 52.037 0.008 0.000 0.798 408 A CB 0.250 19.280 19.000 0.050 0.000 1.033 408 A HN 0.447 nan 8.150 nan 0.000 0.488 409 H N 0.437 119.571 119.070 0.106 0.000 2.497 409 H HA 0.316 4.872 4.556 -0.000 0.000 0.282 409 H C 0.673 176.164 175.328 0.273 0.000 1.003 409 H CA 1.325 57.477 56.048 0.174 0.000 1.307 409 H CB 0.480 30.333 29.762 0.151 0.000 1.437 409 H HN 0.758 nan 8.280 nan 0.000 0.544 410 A N 0.874 123.909 122.820 0.358 0.000 2.549 410 A HA 0.510 4.830 4.320 -0.000 0.000 0.297 410 A C -1.098 176.649 177.584 0.271 0.000 1.061 410 A CA -0.519 51.741 52.037 0.372 0.000 0.690 410 A CB 1.834 21.092 19.000 0.429 0.000 1.287 410 A HN -0.028 nan 8.150 nan 0.000 0.402 411 V N 1.680 121.748 119.914 0.257 0.000 2.417 411 V HA 0.526 4.646 4.120 -0.000 0.000 0.291 411 V C -0.515 175.704 176.094 0.209 0.000 1.024 411 V CA -0.508 61.895 62.300 0.172 0.000 0.861 411 V CB 1.503 33.395 31.823 0.114 0.000 0.985 411 V HN 0.665 nan 8.190 nan 0.000 0.436 412 V N 6.506 126.527 119.914 0.179 0.000 2.350 412 V HA 0.463 4.582 4.120 -0.000 0.000 0.285 412 V C -0.106 176.080 176.094 0.153 0.000 1.014 412 V CA -0.368 62.072 62.300 0.233 0.000 0.831 412 V CB 1.478 33.423 31.823 0.204 0.000 1.000 412 V HN 0.690 nan 8.190 nan 0.000 0.433 413 I N 4.126 124.790 120.570 0.158 0.000 2.312 413 I HA 0.210 4.380 4.170 -0.000 0.000 0.291 413 I C 0.689 176.881 176.117 0.124 0.000 1.031 413 I CA 0.071 61.405 61.300 0.057 0.000 1.293 413 I CB 1.002 39.034 38.000 0.053 0.000 1.403 413 I HN 0.670 nan 8.210 nan 0.000 0.484 414 C N 3.148 122.519 119.300 0.119 0.000 3.188 414 C HA 0.188 4.648 4.460 -0.000 0.000 0.315 414 C C 0.925 175.964 174.990 0.082 0.000 1.285 414 C CA 0.224 59.292 59.018 0.083 0.000 1.729 414 C CB -0.085 27.713 27.740 0.096 0.000 2.257 414 C HN 0.736 nan 8.230 nan 0.000 0.645 415 T N 1.585 116.264 114.554 0.207 0.000 2.886 415 T HA 0.209 4.559 4.350 -0.000 0.000 0.292 415 T C 0.199 175.023 174.700 0.206 0.000 1.012 415 T CA -0.182 61.999 62.100 0.135 0.000 0.982 415 T CB 1.427 70.394 68.868 0.165 0.000 1.018 415 T HN 0.326 nan 8.240 nan 0.000 0.451 416 E N 1.781 121.949 120.200 -0.052 0.000 2.330 416 E HA -0.028 4.321 4.350 -0.000 0.000 0.210 416 E C -0.803 175.737 176.600 -0.100 0.000 1.256 416 E CA -0.570 55.822 56.400 -0.014 0.000 1.346 416 E CB -0.352 29.302 29.700 -0.077 0.000 1.308 416 E HN 0.651 nan 8.360 nan 0.000 0.441 417 W N 1.644 122.879 121.300 -0.108 0.000 2.343 417 W HA -0.022 4.638 4.660 -0.000 0.000 0.337 417 W C 1.062 177.387 176.519 -0.323 0.000 1.320 417 W CA -0.289 56.856 57.345 -0.335 0.000 1.290 417 W CB 0.498 29.537 29.460 -0.702 0.000 1.206 417 W HN 0.092 nan 8.180 nan 0.000 0.565 418 D N 2.744 123.180 120.400 0.061 0.000 2.190 418 D HA -0.255 4.385 4.640 -0.000 0.000 0.200 418 D C 2.233 178.541 176.300 0.014 0.000 0.992 418 D CA 2.056 56.080 54.000 0.039 0.000 0.854 418 D CB -0.307 40.526 40.800 0.054 0.000 0.936 418 D HN 0.576 nan 8.370 nan 0.000 0.462 419 M N -1.374 118.182 119.600 -0.074 0.000 2.279 419 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 419 M C 1.508 177.835 176.300 0.046 0.000 1.062 419 M CA 1.229 56.490 55.300 -0.064 0.000 1.099 419 M CB -0.478 32.043 32.600 -0.131 0.000 1.394 419 M HN -0.201 nan 8.290 nan 0.000 0.426 420 F N 1.686 121.729 119.950 0.155 0.000 2.186 420 F HA 0.026 4.553 4.527 -0.000 0.000 0.299 420 F C 2.581 178.501 175.800 0.200 0.000 1.090 420 F CA 1.188 59.275 58.000 0.145 0.000 1.307 420 F CB -1.109 38.006 39.000 0.190 0.000 1.019 420 F HN 0.243 nan 8.300 nan 0.000 0.489 421 K N 0.437 121.046 120.400 0.347 0.000 2.280 421 K HA -0.163 4.157 4.320 -0.000 0.000 0.202 421 K C 1.121 177.887 176.600 0.276 0.000 1.047 421 K CA 1.310 57.764 56.287 0.278 0.000 0.942 421 K CB 0.045 32.648 32.500 0.172 0.000 0.739 421 K HN 0.129 nan 8.250 nan 0.000 0.457 422 E N 0.561 120.886 120.200 0.208 0.000 2.474 422 E HA 0.075 4.425 4.350 -0.000 0.000 0.195 422 E C 0.324 176.998 176.600 0.123 0.000 1.039 422 E CA -0.015 56.475 56.400 0.150 0.000 0.881 422 E CB 0.129 29.889 29.700 0.099 0.000 0.970 422 E HN 0.313 nan 8.360 nan 0.000 0.486 423 L N 1.593 122.857 121.223 0.068 0.000 2.467 423 L HA 0.025 4.365 4.340 -0.000 0.000 0.270 423 L C 0.829 177.634 176.870 -0.109 0.000 1.205 423 L CA -0.126 54.626 54.840 -0.147 0.000 0.828 423 L CB 0.276 41.988 42.059 -0.579 0.000 1.101 423 L HN -0.154 nan 8.230 nan 0.000 0.479 424 D N 0.734 121.171 120.400 0.060 0.000 2.435 424 D HA 0.024 4.664 4.640 -0.000 0.000 0.230 424 D C 0.495 176.846 176.300 0.085 0.000 1.215 424 D CA 0.202 54.270 54.000 0.112 0.000 0.947 424 D CB 0.247 41.109 40.800 0.104 0.000 1.048 424 D HN 0.273 nan 8.370 nan 0.000 0.512 425 Y N 1.534 121.950 120.300 0.193 0.000 2.516 425 Y HA -0.018 4.532 4.550 -0.000 0.000 0.291 425 Y C 2.180 178.293 175.900 0.355 0.000 1.131 425 Y CA 0.426 58.674 58.100 0.245 0.000 1.281 425 Y CB 0.339 38.867 38.460 0.112 0.000 1.013 425 Y HN 0.405 nan 8.280 nan 0.000 0.554 426 E N 0.308 120.708 120.200 0.334 0.000 2.031 426 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 426 E C 2.203 178.917 176.600 0.191 0.000 0.994 426 E CA 1.012 57.545 56.400 0.222 0.000 0.800 426 E CB -0.210 29.567 29.700 0.128 0.000 0.752 426 E HN 0.426 nan 8.360 nan 0.000 0.447 427 R N 1.024 121.611 120.500 0.145 0.000 2.083 427 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 427 R C 2.425 178.815 176.300 0.150 0.000 1.137 427 R CA 1.365 57.519 56.100 0.089 0.000 0.951 427 R CB -0.332 29.964 30.300 -0.006 0.000 0.851 427 R HN 0.112 nan 8.270 nan 0.000 0.434 428 I N 0.053 120.771 120.570 0.248 0.000 2.163 428 I HA -0.346 3.824 4.170 -0.000 0.000 0.243 428 I C 2.731 179.004 176.117 0.260 0.000 1.085 428 I CA 1.657 63.121 61.300 0.273 0.000 1.347 428 I CB -0.673 37.494 38.000 0.279 0.000 1.044 428 I HN 0.419 nan 8.210 nan 0.000 0.408 429 H N 1.829 121.027 119.070 0.213 0.000 2.319 429 H HA -0.208 4.347 4.556 -0.000 0.000 0.299 429 H C 2.241 177.505 175.328 -0.107 0.000 1.092 429 H CA 1.840 57.809 56.048 -0.132 0.000 1.302 429 H CB 0.101 29.606 29.762 -0.428 0.000 1.373 429 H HN 0.251 nan 8.280 nan 0.000 0.497 430 K N 0.423 120.832 120.400 0.016 0.000 2.059 430 K HA -0.158 4.162 4.320 -0.000 0.000 0.212 430 K C 2.006 178.548 176.600 -0.097 0.000 1.050 430 K CA 1.711 57.974 56.287 -0.039 0.000 0.927 430 K CB 0.040 32.546 32.500 0.011 0.000 0.714 430 K HN 0.297 nan 8.250 nan 0.000 0.447 431 K N -0.387 119.977 120.400 -0.060 0.000 2.374 431 K HA 0.163 4.482 4.320 -0.000 0.000 0.196 431 K C 0.446 176.995 176.600 -0.084 0.000 1.023 431 K CA -0.206 56.045 56.287 -0.060 0.000 1.103 431 K CB 0.370 32.858 32.500 -0.020 0.000 0.848 431 K HN 0.103 nan 8.250 nan 0.000 0.528 432 M N 1.507 121.035 119.600 -0.119 0.000 2.241 432 M HA 0.149 4.629 4.480 -0.000 0.000 0.335 432 M C 0.192 176.372 176.300 -0.201 0.000 1.122 432 M CA -0.188 55.034 55.300 -0.130 0.000 1.164 432 M CB 0.696 33.244 32.600 -0.086 0.000 1.459 432 M HN -0.026 nan 8.290 nan 0.000 0.461 433 L N 2.382 123.475 121.223 -0.217 0.000 2.476 433 L HA 0.190 4.530 4.340 -0.000 0.000 0.264 433 L C 0.149 176.910 176.870 -0.183 0.000 1.224 433 L CA -0.108 54.579 54.840 -0.255 0.000 0.821 433 L CB 0.187 41.944 42.059 -0.503 0.000 1.101 433 L HN 0.506 nan 8.230 nan 0.000 0.488 434 K N 1.703 122.039 120.400 -0.107 0.000 2.378 434 K HA 0.497 4.816 4.320 -0.000 0.000 0.252 434 K C -2.265 174.391 176.600 0.093 0.000 0.931 434 K CA -1.674 54.580 56.287 -0.055 0.000 0.794 434 K CB 1.317 33.755 32.500 -0.103 0.000 1.181 434 K HN 0.373 nan 8.250 nan 0.000 0.425 435 P HA 0.266 nan 4.420 nan 0.000 0.271 435 P C -0.991 176.275 177.300 -0.057 0.000 1.218 435 P CA -0.506 62.582 63.100 -0.020 0.000 0.780 435 P CB 0.696 32.355 31.700 -0.069 0.000 0.901 436 A N 2.590 125.293 122.820 -0.195 0.000 2.276 436 A HA 0.621 4.941 4.320 -0.000 0.000 0.316 436 A C -0.817 176.720 177.584 -0.078 0.000 1.229 436 A CA -0.515 51.496 52.037 -0.043 0.000 0.851 436 A CB -0.032 18.878 19.000 -0.151 0.000 1.165 436 A HN 0.421 nan 8.150 nan 0.000 0.513 437 F N 1.497 121.533 119.950 0.143 0.000 2.508 437 F HA 0.603 5.130 4.527 -0.000 0.000 0.325 437 F C 0.101 175.829 175.800 -0.119 0.000 1.090 437 F CA -0.504 57.454 58.000 -0.071 0.000 0.945 437 F CB 1.940 40.806 39.000 -0.225 0.000 1.156 437 F HN 0.345 nan 8.300 nan 0.000 0.463 438 I N 3.255 123.719 120.570 -0.176 0.000 2.406 438 I HA 0.345 4.515 4.170 -0.000 0.000 0.290 438 I C -1.245 174.594 176.117 -0.463 0.000 0.999 438 I CA -0.571 60.578 61.300 -0.252 0.000 1.124 438 I CB 1.377 39.149 38.000 -0.381 0.000 1.289 438 I HN 0.364 nan 8.210 nan 0.000 0.441 439 F N 3.819 123.793 119.950 0.039 0.000 2.347 439 F HA 0.266 4.792 4.527 -0.000 0.000 0.366 439 F C 0.118 176.039 175.800 0.201 0.000 1.107 439 F CA -0.776 57.264 58.000 0.066 0.000 1.058 439 F CB 0.885 39.818 39.000 -0.111 0.000 1.236 439 F HN 0.345 nan 8.300 nan 0.000 0.456 440 D N 2.520 123.098 120.400 0.297 0.000 2.428 440 D HA 0.245 4.885 4.640 -0.000 0.000 0.221 440 D C 1.043 177.483 176.300 0.232 0.000 1.123 440 D CA -0.167 53.963 54.000 0.218 0.000 0.869 440 D CB 1.408 42.269 40.800 0.102 0.000 1.032 440 D HN 0.688 nan 8.370 nan 0.000 0.506 441 G N 3.281 112.157 108.800 0.126 0.000 3.088 441 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.212 441 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.212 441 G C 1.137 175.928 174.900 -0.183 0.000 1.173 441 G CA -0.092 44.821 45.100 -0.312 0.000 0.779 441 G HN 0.320 nan 8.290 nan 0.000 0.540 442 R N -0.505 119.973 120.500 -0.036 0.000 2.541 442 R HA 0.185 4.524 4.340 -0.000 0.000 0.332 442 R C 0.552 176.858 176.300 0.010 0.000 0.951 442 R CA -0.462 55.625 56.100 -0.022 0.000 1.136 442 R CB 0.286 30.595 30.300 0.015 0.000 1.449 442 R HN 0.128 nan 8.270 nan 0.000 0.531 443 R N 0.297 120.820 120.500 0.038 0.000 3.770 443 R HA -0.105 4.235 4.340 -0.000 0.000 0.305 443 R C 1.121 177.454 176.300 0.056 0.000 1.184 443 R CA 1.027 57.157 56.100 0.051 0.000 0.823 443 R CB -2.918 27.394 30.300 0.019 0.000 1.285 443 R HN 0.281 nan 8.270 nan 0.000 0.499 444 V N -3.213 116.748 119.914 0.079 0.000 3.129 444 V HA 0.046 4.166 4.120 -0.000 0.000 0.259 444 V C 1.812 177.960 176.094 0.091 0.000 1.116 444 V CA 1.232 63.586 62.300 0.091 0.000 1.127 444 V CB -0.176 31.732 31.823 0.142 0.000 0.742 444 V HN 0.288 nan 8.190 nan 0.000 0.474 445 L N 0.298 121.574 121.223 0.088 0.000 2.628 445 L HA 0.332 4.671 4.340 -0.000 0.000 0.229 445 L C 0.089 177.044 176.870 0.142 0.000 1.137 445 L CA -0.298 54.581 54.840 0.065 0.000 0.909 445 L CB -0.457 41.572 42.059 -0.049 0.000 1.137 445 L HN 0.242 nan 8.230 nan 0.000 0.470 446 D N 1.578 122.033 120.400 0.092 0.000 2.583 446 D HA 0.171 4.811 4.640 -0.000 0.000 0.232 446 D C 1.355 177.650 176.300 -0.008 0.000 1.128 446 D CA 1.496 55.482 54.000 -0.023 0.000 0.859 446 D CB 0.733 41.503 40.800 -0.050 0.000 1.169 446 D HN 0.319 nan 8.370 nan 0.000 0.481 447 G N 1.640 110.406 108.800 -0.057 0.000 2.148 447 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.254 447 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.254 447 G C 0.665 175.588 174.900 0.039 0.000 0.981 447 G CA 0.048 45.141 45.100 -0.011 0.000 0.670 447 G HN 0.420 nan 8.290 nan 0.000 0.528 448 L N -0.067 121.210 121.223 0.091 0.000 2.766 448 L HA 0.365 4.705 4.340 -0.000 0.000 0.242 448 L C 1.959 178.867 176.870 0.062 0.000 1.136 448 L CA 0.316 55.184 54.840 0.048 0.000 0.933 448 L CB -0.368 41.675 42.059 -0.027 0.000 1.241 448 L HN 0.442 nan 8.230 nan 0.000 0.522 449 H N -0.263 118.763 119.070 -0.072 0.000 2.387 449 H HA -0.074 4.481 4.556 -0.000 0.000 0.299 449 H C 1.291 176.590 175.328 -0.048 0.000 1.090 449 H CA 1.247 57.252 56.048 -0.071 0.000 1.332 449 H CB 0.446 30.177 29.762 -0.052 0.000 1.386 449 H HN 0.395 nan 8.280 nan 0.000 0.516 450 N N 1.058 119.814 118.700 0.092 0.000 2.080 450 N HA -0.123 4.617 4.740 -0.000 0.000 0.189 450 N C 1.898 177.419 175.510 0.018 0.000 1.036 450 N CA 1.039 54.114 53.050 0.041 0.000 0.846 450 N CB -0.328 38.177 38.487 0.030 0.000 1.015 450 N HN 0.431 nan 8.380 nan 0.000 0.423 451 E N 1.032 121.243 120.200 0.018 0.000 2.085 451 E HA -0.086 4.264 4.350 -0.000 0.000 0.194 451 E C 2.159 178.767 176.600 0.014 0.000 0.994 451 E CA 0.668 57.078 56.400 0.015 0.000 0.801 451 E CB -0.319 29.395 29.700 0.024 0.000 0.743 451 E HN 0.297 nan 8.360 nan 0.000 0.453 452 L N 0.396 121.611 121.223 -0.013 0.000 2.027 452 L HA -0.228 4.112 4.340 -0.000 0.000 0.206 452 L C 2.519 179.432 176.870 0.072 0.000 1.074 452 L CA 1.358 56.207 54.840 0.014 0.000 0.745 452 L CB -0.380 41.551 42.059 -0.214 0.000 0.898 452 L HN 0.168 nan 8.230 nan 0.000 0.433 453 Q N -0.774 119.024 119.800 -0.004 0.000 2.124 453 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 453 Q C 2.154 178.124 176.000 -0.050 0.000 0.977 453 Q CA 1.991 57.781 55.803 -0.022 0.000 0.850 453 Q CB -0.183 28.543 28.738 -0.019 0.000 0.901 453 Q HN 0.470 nan 8.270 nan 0.000 0.429 454 T N 0.977 115.508 114.554 -0.038 0.000 2.821 454 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 454 T C 1.788 176.424 174.700 -0.107 0.000 1.046 454 T CA 0.807 62.874 62.100 -0.054 0.000 1.139 454 T CB -0.113 68.739 68.868 -0.027 0.000 0.871 454 T HN 0.205 nan 8.240 nan 0.000 0.454 455 I N 0.437 120.934 120.570 -0.122 0.000 2.286 455 I HA -0.047 4.122 4.170 -0.000 0.000 0.248 455 I C 2.154 177.872 176.117 -0.664 0.000 1.115 455 I CA 1.432 62.561 61.300 -0.284 0.000 1.392 455 I CB -0.176 37.737 38.000 -0.144 0.000 1.065 455 I HN 0.514 nan 8.210 nan 0.000 0.418 456 G N -0.692 107.801 108.800 -0.512 0.000 2.370 456 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.174 456 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.174 456 G C 0.171 174.895 174.900 -0.293 0.000 1.002 456 G CA -0.741 44.086 45.100 -0.456 0.000 0.730 456 G HN 0.121 nan 8.290 nan 0.000 0.497 457 F N 1.679 121.511 119.950 -0.196 0.000 2.506 457 F HA 0.446 4.973 4.527 -0.000 0.000 0.351 457 F C 1.123 176.784 175.800 -0.232 0.000 1.136 457 F CA 0.239 58.153 58.000 -0.144 0.000 1.298 457 F CB 0.858 39.770 39.000 -0.147 0.000 1.145 457 F HN 0.110 nan 8.300 nan 0.000 0.593 458 Q N 3.816 123.521 119.800 -0.158 0.000 2.337 458 Q HA 0.368 4.708 4.340 -0.000 0.000 0.255 458 Q C -1.096 174.784 176.000 -0.199 0.000 0.997 458 Q CA -0.705 54.956 55.803 -0.235 0.000 0.925 458 Q CB 0.694 29.152 28.738 -0.466 0.000 1.212 458 Q HN 0.613 nan 8.270 nan 0.000 0.436 459 I N 3.605 124.055 120.570 -0.199 0.000 2.336 459 I HA 0.325 4.495 4.170 -0.000 0.000 0.292 459 I C -1.138 174.832 176.117 -0.245 0.000 0.991 459 I CA 0.077 61.184 61.300 -0.321 0.000 1.227 459 I CB 1.216 38.906 38.000 -0.517 0.000 1.366 459 I HN 0.645 nan 8.210 nan 0.000 0.466 460 E N 4.630 124.685 120.200 -0.241 0.000 2.288 460 E HA 0.551 4.901 4.350 -0.000 0.000 0.268 460 E C -1.084 175.563 176.600 0.077 0.000 0.885 460 E CA -0.939 55.432 56.400 -0.047 0.000 0.767 460 E CB 2.299 32.000 29.700 0.000 0.000 1.220 460 E HN 0.593 nan 8.360 nan 0.000 0.427 461 T N 1.226 115.884 114.554 0.173 0.000 2.868 461 T HA 0.415 4.764 4.350 -0.000 0.000 0.306 461 T C -0.784 174.032 174.700 0.193 0.000 1.224 461 T CA -0.597 61.632 62.100 0.215 0.000 1.012 461 T CB 0.932 69.930 68.868 0.218 0.000 1.221 461 T HN 0.366 nan 8.240 nan 0.000 0.499 462 I N 2.709 123.381 120.570 0.170 0.000 2.618 462 I HA 0.334 4.504 4.170 -0.000 0.000 0.284 462 I C 1.571 177.728 176.117 0.066 0.000 1.146 462 I CA 1.384 62.747 61.300 0.105 0.000 1.425 462 I CB 0.684 38.695 38.000 0.017 0.000 1.383 462 I HN 1.075 nan 8.210 nan 0.000 0.562 463 G N 4.493 113.327 108.800 0.056 0.000 2.143 463 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.249 463 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.249 463 G C 0.050 174.972 174.900 0.037 0.000 0.981 463 G CA 0.108 45.231 45.100 0.038 0.000 0.665 463 G HN 0.646 nan 8.290 nan 0.000 0.528 464 K N 0.133 120.566 120.400 0.056 0.000 2.482 464 K HA 0.525 4.845 4.320 -0.000 0.000 0.251 464 K C 0.040 176.678 176.600 0.064 0.000 0.936 464 K CA -0.952 55.365 56.287 0.050 0.000 0.791 464 K CB 1.203 33.733 32.500 0.050 0.000 1.213 464 K HN 0.108 nan 8.250 nan 0.000 0.428 465 K N 3.024 123.454 120.400 0.050 0.000 2.401 465 K HA 0.104 4.424 4.320 -0.000 0.000 0.278 465 K C -0.131 176.505 176.600 0.060 0.000 1.018 465 K CA -0.444 55.874 56.287 0.051 0.000 0.981 465 K CB 0.809 33.332 32.500 0.039 0.000 0.933 465 K HN 0.361 nan 8.250 nan 0.000 0.477 466 V N 0.000 119.951 119.914 0.062 0.000 2.409 466 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 466 V CA 0.000 62.338 62.300 0.064 0.000 1.235 466 V CB 0.000 31.865 31.823 0.070 0.000 1.184 466 V HN 0.000 nan 8.190 nan 0.000 0.556