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 3cns_1_A DATA FIRST_RESID 6 DATA SEQUENCE PAKKKVIIIG AGIAGLKAAS TLHQNGIQDC LVLEARDRVG GRLQTVTGYQ DATA SEQUENCE GRKYDIGASW HHDTLTNPLF LEEAQLSLND GRTRFVFDDD NFIYIDEERG DATA SEQUENCE RVDHDKELLL EIVDNEMSKF AELEFHQHLG VSDCSFFQLV MKYLLQRRQF DATA SEQUENCE LTNDQIRYLP QLCRYLELWH GLDWKLLSAK DTYFGHQGRN AFALNYDSVV DATA SEQUENCE QRIAQSFPQN WLKLScEVKS ITREPSKNVT VNcEDGTVYN ADYVIITVPQ DATA SEQUENCE SVLNLSVQPE KNLRGRIEFQ PPLKPVIQDA FDKIHFGALG KVIFEFEECC DATA SEQUENCE WSNESSKIVT LANSTNEFVE IVRNAENLDE LDSMLERXXX XXXTSVTCWS DATA SEQUENCE QPLFFVNLSK STGVASFMML MQAPLTNHIE SIREDKERLF SFFQPVLNKI DATA SEQUENCE MKCLDSEDVI DGMRPXXXXX XANKPVLRNI IVSNWTRDPY SRGAYSACFP DATA SEQUENCE GDDPVDMVVA MSNGQDSRIR FAGEHTIMDG AGCAYGAWES GRREATRISD DATA SEQUENCE LLKL 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.261 177.300 -0.065 0.000 1.155 6 P CA 0.000 63.042 63.100 -0.096 0.000 0.800 6 P CB 0.000 31.662 31.700 -0.063 0.000 0.726 7 A N 2.327 125.098 122.820 -0.080 0.000 2.591 7 A HA 0.143 4.463 4.320 -0.001 0.000 0.244 7 A C 0.552 178.177 177.584 0.068 0.000 1.031 7 A CA 0.628 52.670 52.037 0.008 0.000 0.767 7 A CB 0.279 19.310 19.000 0.052 0.000 0.942 7 A HN 0.295 nan 8.150 nan 0.000 0.514 8 K N 2.245 122.670 120.400 0.041 0.000 2.205 8 K HA 0.404 4.723 4.320 -0.001 0.000 0.279 8 K C -0.240 176.371 176.600 0.017 0.000 1.027 8 K CA -0.142 56.161 56.287 0.026 0.000 0.932 8 K CB 1.015 33.519 32.500 0.008 0.000 1.032 8 K HN 0.701 nan 8.250 nan 0.000 0.466 9 K N 2.551 122.945 120.400 -0.010 0.000 2.477 9 K HA 0.261 4.580 4.320 -0.001 0.000 0.255 9 K C 0.425 176.983 176.600 -0.071 0.000 0.952 9 K CA -0.838 55.408 56.287 -0.068 0.000 0.826 9 K CB 1.662 34.082 32.500 -0.132 0.000 1.331 9 K HN 0.138 nan 8.250 nan 0.000 0.437 10 K N 0.089 120.432 120.400 -0.095 0.000 2.044 10 K HA 0.111 4.431 4.320 -0.001 0.000 0.204 10 K C 0.307 176.883 176.600 -0.041 0.000 1.049 10 K CA 0.932 57.191 56.287 -0.046 0.000 0.945 10 K CB 0.337 32.806 32.500 -0.052 0.000 0.724 10 K HN 0.319 nan 8.250 nan 0.000 0.440 11 V N 1.560 121.377 119.914 -0.161 0.000 2.668 11 V HA 0.324 4.444 4.120 -0.001 0.000 0.304 11 V C -1.135 174.799 176.094 -0.265 0.000 1.071 11 V CA -0.869 61.334 62.300 -0.162 0.000 0.894 11 V CB 2.181 33.895 31.823 -0.181 0.000 1.008 11 V HN -0.009 nan 8.190 nan 0.000 0.425 12 I N 5.626 126.074 120.570 -0.202 0.000 2.330 12 I HA 0.479 4.648 4.170 -0.001 0.000 0.289 12 I C -0.200 175.798 176.117 -0.197 0.000 1.001 12 I CA -0.242 60.910 61.300 -0.246 0.000 1.193 12 I CB 1.597 39.464 38.000 -0.222 0.000 1.345 12 I HN 0.478 nan 8.210 nan 0.000 0.461 13 I N 7.001 127.443 120.570 -0.213 0.000 2.336 13 I HA 0.319 4.489 4.170 -0.001 0.000 0.292 13 I C -0.246 175.800 176.117 -0.118 0.000 0.991 13 I CA -0.753 60.457 61.300 -0.150 0.000 1.227 13 I CB 1.523 39.434 38.000 -0.149 0.000 1.366 13 I HN 0.290 nan 8.210 nan 0.000 0.466 14 I N 5.625 126.149 120.570 -0.077 0.000 2.304 14 I HA 0.603 4.772 4.170 -0.001 0.000 0.291 14 I C 0.537 176.649 176.117 -0.010 0.000 1.018 14 I CA -0.006 61.263 61.300 -0.052 0.000 1.260 14 I CB 1.033 39.011 38.000 -0.036 0.000 1.390 14 I HN 0.766 nan 8.210 nan 0.000 0.475 15 G N 4.501 113.294 108.800 -0.013 0.000 3.225 15 G HA2 0.229 4.188 3.960 -0.001 0.000 0.686 15 G HA3 0.229 4.188 3.960 -0.001 0.000 0.686 15 G C -0.229 174.692 174.900 0.035 0.000 1.105 15 G CA -0.472 44.638 45.100 0.018 0.000 0.831 15 G HN 0.977 nan 8.290 nan 0.000 0.578 16 A N 1.838 124.688 122.820 0.049 0.000 2.833 16 A HA 0.748 5.067 4.320 -0.001 0.000 0.293 16 A C 1.481 179.125 177.584 0.099 0.000 1.338 16 A CA 1.171 53.260 52.037 0.087 0.000 0.959 16 A CB -0.310 18.747 19.000 0.095 0.000 1.094 16 A HN 2.109 nan 8.150 nan 0.000 0.569 17 G N -0.760 108.093 108.800 0.088 0.000 2.516 17 G HA2 0.338 4.297 3.960 -0.001 0.000 0.276 17 G HA3 0.338 4.297 3.960 -0.001 0.000 0.276 17 G C 0.957 175.920 174.900 0.106 0.000 1.390 17 G CA -0.184 44.968 45.100 0.085 0.000 1.050 17 G HN 0.349 nan 8.290 nan 0.000 0.519 18 I N -0.224 120.407 120.570 0.102 0.000 2.493 18 I HA -0.047 4.122 4.170 -0.001 0.000 0.254 18 I C 2.722 178.934 176.117 0.159 0.000 1.160 18 I CA 1.494 62.891 61.300 0.161 0.000 1.445 18 I CB 0.052 38.158 38.000 0.176 0.000 1.086 18 I HN 0.436 nan 8.210 nan 0.000 0.433 19 A N 0.324 123.207 122.820 0.106 0.000 1.854 19 A HA -0.021 4.298 4.320 -0.001 0.000 0.214 19 A C 2.365 179.968 177.584 0.032 0.000 1.192 19 A CA 1.363 53.435 52.037 0.058 0.000 0.611 19 A CB -1.532 17.497 19.000 0.047 0.000 0.832 19 A HN 0.449 nan 8.150 nan 0.000 0.442 20 G N -0.075 108.754 108.800 0.049 0.000 2.440 20 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.218 20 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.218 20 G C 1.568 176.495 174.900 0.046 0.000 1.154 20 G CA 1.094 46.211 45.100 0.027 0.000 0.767 20 G HN 0.406 nan 8.290 nan 0.000 0.552 21 L N -0.086 121.217 121.223 0.133 0.000 2.046 21 L HA -0.039 4.300 4.340 -0.001 0.000 0.208 21 L C 2.772 179.781 176.870 0.232 0.000 1.077 21 L CA 1.508 56.505 54.840 0.262 0.000 0.747 21 L CB -0.261 41.972 42.059 0.289 0.000 0.896 21 L HN 0.202 nan 8.230 nan 0.000 0.432 22 K N 0.618 121.091 120.400 0.122 0.000 2.155 22 K HA -0.048 4.272 4.320 -0.001 0.000 0.203 22 K C 1.959 178.513 176.600 -0.077 0.000 1.052 22 K CA 1.340 57.630 56.287 0.004 0.000 0.948 22 K CB -0.204 32.155 32.500 -0.235 0.000 0.728 22 K HN 0.191 nan 8.250 nan 0.000 0.448 23 A N 0.612 123.383 122.820 -0.083 0.000 1.902 23 A HA -0.008 4.311 4.320 -0.001 0.000 0.217 23 A C 2.375 179.898 177.584 -0.101 0.000 1.181 23 A CA 1.880 53.852 52.037 -0.108 0.000 0.623 23 A CB -1.024 17.914 19.000 -0.103 0.000 0.818 23 A HN 0.399 nan 8.150 nan 0.000 0.443 24 A N -0.954 121.771 122.820 -0.158 0.000 1.930 24 A HA -0.065 4.255 4.320 -0.001 0.000 0.217 24 A C 2.443 179.958 177.584 -0.115 0.000 1.175 24 A CA 2.039 53.909 52.037 -0.279 0.000 0.627 24 A CB -0.868 17.584 19.000 -0.914 0.000 0.815 24 A HN 0.524 nan 8.150 nan 0.000 0.443 25 S N -0.799 114.929 115.700 0.047 0.000 2.348 25 S HA -0.154 4.316 4.470 -0.001 0.000 0.221 25 S C 2.114 176.798 174.600 0.141 0.000 1.033 25 S CA 2.270 60.626 58.200 0.261 0.000 1.010 25 S CB -0.614 62.752 63.200 0.276 0.000 0.891 25 S HN 0.619 nan 8.310 nan 0.000 0.442 26 T N 2.979 117.556 114.554 0.038 0.000 2.720 26 T HA -0.039 4.311 4.350 -0.001 0.000 0.268 26 T C 1.762 176.479 174.700 0.029 0.000 1.037 26 T CA 1.500 63.597 62.100 -0.005 0.000 1.144 26 T CB -0.477 68.342 68.868 -0.082 0.000 0.864 26 T HN 0.297 nan 8.240 nan 0.000 0.444 27 L N -0.002 121.256 121.223 0.058 0.000 1.989 27 L HA -0.187 4.153 4.340 -0.001 0.000 0.211 27 L C 2.623 179.630 176.870 0.228 0.000 1.071 27 L CA 1.803 56.709 54.840 0.111 0.000 0.749 27 L CB -0.672 41.453 42.059 0.110 0.000 0.890 27 L HN 0.481 nan 8.230 nan 0.000 0.431 28 H N -0.067 119.105 119.070 0.170 0.000 2.293 28 H HA -0.252 4.303 4.556 -0.001 0.000 0.300 28 H C 2.330 177.681 175.328 0.039 0.000 1.082 28 H CA 1.925 58.016 56.048 0.071 0.000 1.308 28 H CB 0.143 29.836 29.762 -0.116 0.000 1.375 28 H HN 0.366 nan 8.280 nan 0.000 0.495 29 Q N 0.363 120.136 119.800 -0.046 0.000 2.217 29 Q HA -0.167 4.172 4.340 -0.001 0.000 0.209 29 Q C 0.794 176.740 176.000 -0.089 0.000 0.988 29 Q CA 1.797 57.530 55.803 -0.117 0.000 0.878 29 Q CB 0.061 28.785 28.738 -0.022 0.000 0.909 29 Q HN 0.438 nan 8.270 nan 0.000 0.424 30 N N -0.877 117.804 118.700 -0.032 0.000 2.314 30 N HA 0.129 4.868 4.740 -0.001 0.000 0.200 30 N C 0.386 175.892 175.510 -0.007 0.000 1.135 30 N CA 0.862 53.899 53.050 -0.021 0.000 0.835 30 N CB 0.956 39.435 38.487 -0.014 0.000 0.989 30 N HN 0.439 nan 8.380 nan 0.000 0.478 31 G N 0.227 109.021 108.800 -0.011 0.000 2.159 31 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.256 31 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.256 31 G C -0.008 174.951 174.900 0.099 0.000 0.977 31 G CA -0.288 44.828 45.100 0.026 0.000 0.652 31 G HN 0.216 nan 8.290 nan 0.000 0.531 32 I N 0.815 121.469 120.570 0.139 0.000 2.529 32 I HA 0.371 4.541 4.170 -0.001 0.000 0.284 32 I C 0.745 177.047 176.117 0.309 0.000 1.082 32 I CA 0.177 61.574 61.300 0.161 0.000 1.406 32 I CB 0.874 38.937 38.000 0.104 0.000 1.405 32 I HN 0.294 nan 8.210 nan 0.000 0.548 33 Q N 3.239 123.179 119.800 0.233 0.000 2.445 33 Q HA 0.333 4.672 4.340 -0.001 0.000 0.281 33 Q C -0.924 175.157 176.000 0.136 0.000 1.101 33 Q CA -0.781 55.215 55.803 0.321 0.000 0.833 33 Q CB 1.731 30.610 28.738 0.235 0.000 1.416 33 Q HN 0.519 nan 8.270 nan 0.000 0.451 34 D N 0.014 120.499 120.400 0.142 0.000 2.760 34 D HA -0.155 4.485 4.640 -0.001 0.000 0.244 34 D C -1.098 174.967 176.300 -0.390 0.000 1.123 34 D CA 0.514 54.466 54.000 -0.081 0.000 0.719 34 D CB -1.414 39.374 40.800 -0.019 0.000 1.045 34 D HN 0.367 nan 8.370 nan 0.000 0.426 35 C N 0.154 118.858 119.300 -0.993 0.000 2.668 35 C HA 0.855 5.315 4.460 -0.001 0.000 0.355 35 C C 0.153 174.392 174.990 -1.253 0.000 1.277 35 C CA -0.692 57.592 59.018 -1.223 0.000 1.787 35 C CB 1.808 28.514 27.740 -1.723 0.000 2.233 35 C HN 0.465 nan 8.230 nan 0.000 0.495 36 L N 0.753 121.491 121.223 -0.809 0.000 2.466 36 L HA 0.688 5.027 4.340 -0.001 0.000 0.258 36 L C -1.077 175.581 176.870 -0.354 0.000 0.973 36 L CA -0.116 54.411 54.840 -0.521 0.000 0.826 36 L CB 2.171 43.927 42.059 -0.505 0.000 1.372 36 L HN 0.471 nan 8.230 nan 0.000 0.409 37 V N 4.723 124.531 119.914 -0.177 0.000 2.350 37 V HA 0.473 4.592 4.120 -0.001 0.000 0.285 37 V C -0.418 175.631 176.094 -0.076 0.000 1.014 37 V CA -0.526 61.716 62.300 -0.096 0.000 0.831 37 V CB 1.468 33.315 31.823 0.040 0.000 1.000 37 V HN 0.475 nan 8.190 nan 0.000 0.433 38 L N 4.328 125.484 121.223 -0.111 0.000 2.265 38 L HA 0.665 5.004 4.340 -0.001 0.000 0.289 38 L C -0.178 176.652 176.870 -0.066 0.000 1.033 38 L CA -0.351 54.431 54.840 -0.096 0.000 0.814 38 L CB 1.452 43.431 42.059 -0.132 0.000 1.203 38 L HN 0.595 nan 8.230 nan 0.000 0.423 39 E N 2.224 122.392 120.200 -0.054 0.000 2.199 39 E HA 0.501 4.851 4.350 -0.001 0.000 0.265 39 E C 0.259 176.778 176.600 -0.135 0.000 0.882 39 E CA -0.321 56.037 56.400 -0.071 0.000 0.759 39 E CB 2.076 31.763 29.700 -0.021 0.000 1.148 39 E HN 0.559 nan 8.360 nan 0.000 0.412 40 A N 5.402 128.063 122.820 -0.266 0.000 1.902 40 A HA -0.030 4.289 4.320 -0.001 0.000 0.217 40 A C 1.125 178.489 177.584 -0.368 0.000 1.181 40 A CA 0.979 52.734 52.037 -0.470 0.000 0.623 40 A CB -0.205 18.104 19.000 -1.151 0.000 0.818 40 A HN 0.603 nan 8.150 nan 0.000 0.443 41 R N -0.089 120.255 120.500 -0.260 0.000 2.652 41 R HA 0.213 4.553 4.340 -0.001 0.000 0.271 41 R C 0.070 176.355 176.300 -0.025 0.000 1.129 41 R CA 0.254 56.311 56.100 -0.072 0.000 1.200 41 R CB 0.106 30.423 30.300 0.029 0.000 1.146 41 R HN 0.496 nan 8.270 nan 0.000 0.581 42 D N 0.105 120.512 120.400 0.012 0.000 2.325 42 D HA -0.009 4.630 4.640 -0.001 0.000 0.234 42 D C -0.066 176.248 176.300 0.023 0.000 1.122 42 D CA -0.019 53.989 54.000 0.015 0.000 0.850 42 D CB -0.019 40.792 40.800 0.020 0.000 0.921 42 D HN 0.422 nan 8.370 nan 0.000 0.513 43 R N -1.438 119.081 120.500 0.031 0.000 2.752 43 R HA 0.623 4.963 4.340 -0.001 0.000 0.271 43 R C -0.780 175.552 176.300 0.053 0.000 1.026 43 R CA -1.124 55.002 56.100 0.043 0.000 0.901 43 R CB 1.083 31.414 30.300 0.052 0.000 1.243 43 R HN -0.081 nan 8.270 nan 0.000 0.463 44 V N -2.053 117.898 119.914 0.061 0.000 3.211 44 V HA 0.872 4.991 4.120 -0.001 0.000 0.319 44 V C 0.911 177.056 176.094 0.086 0.000 1.096 44 V CA 0.383 62.729 62.300 0.076 0.000 1.029 44 V CB 0.746 32.618 31.823 0.082 0.000 1.137 44 V HN 1.199 nan 8.190 nan 0.000 0.453 45 G N -0.757 108.098 108.800 0.092 0.000 2.397 45 G HA2 0.112 4.071 3.960 -0.001 0.000 0.211 45 G HA3 0.112 4.071 3.960 -0.001 0.000 0.211 45 G C 1.750 176.695 174.900 0.075 0.000 1.077 45 G CA 0.856 46.007 45.100 0.085 0.000 0.649 45 G HN 2.735 nan 8.290 nan 0.000 0.511 46 G N 0.541 109.406 108.800 0.109 0.000 2.596 46 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.304 46 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.304 46 G C 0.836 175.791 174.900 0.091 0.000 1.189 46 G CA 1.361 46.532 45.100 0.117 0.000 0.986 46 G HN 1.247 nan 8.290 nan 0.000 0.548 47 R N 0.211 120.640 120.500 -0.118 0.000 2.346 47 R HA 0.248 4.588 4.340 -0.001 0.000 0.199 47 R C 0.393 176.504 176.300 -0.315 0.000 1.015 47 R CA 0.187 55.995 56.100 -0.487 0.000 1.058 47 R CB -0.313 29.664 30.300 -0.538 0.000 0.921 47 R HN 0.327 nan 8.270 nan 0.000 0.475 48 L N 1.431 122.587 121.223 -0.112 0.000 2.324 48 L HA 0.331 4.670 4.340 -0.001 0.000 0.274 48 L C -0.576 176.334 176.870 0.067 0.000 1.012 48 L CA -0.303 54.468 54.840 -0.115 0.000 0.859 48 L CB 1.348 43.298 42.059 -0.181 0.000 1.224 48 L HN 0.057 nan 8.230 nan 0.000 0.429 49 Q N 2.239 122.136 119.800 0.161 0.000 2.305 49 Q HA 0.442 4.781 4.340 -0.001 0.000 0.271 49 Q C -1.403 174.681 176.000 0.139 0.000 1.046 49 Q CA -0.512 55.402 55.803 0.185 0.000 0.798 49 Q CB 2.746 31.653 28.738 0.282 0.000 1.286 49 Q HN 0.446 nan 8.270 nan 0.000 0.435 50 T N 3.329 117.941 114.554 0.096 0.000 2.758 50 T HA 0.459 4.809 4.350 -0.001 0.000 0.285 50 T C -0.075 174.666 174.700 0.069 0.000 0.981 50 T CA -0.511 61.636 62.100 0.078 0.000 0.965 50 T CB 0.915 69.813 68.868 0.050 0.000 0.927 50 T HN 0.479 nan 8.240 nan 0.000 0.448 51 V N 1.507 121.474 119.914 0.090 0.000 2.966 51 V HA 0.833 4.953 4.120 -0.001 0.000 0.317 51 V C -0.015 176.149 176.094 0.118 0.000 1.070 51 V CA -0.738 61.611 62.300 0.081 0.000 1.008 51 V CB 1.626 33.484 31.823 0.058 0.000 1.070 51 V HN 0.763 nan 8.190 nan 0.000 0.457 52 T N 2.139 116.748 114.554 0.092 0.000 2.823 52 T HA 0.802 5.152 4.350 -0.001 0.000 0.279 52 T C 0.312 175.095 174.700 0.138 0.000 0.998 52 T CA 0.292 62.452 62.100 0.099 0.000 0.994 52 T CB 1.376 70.270 68.868 0.043 0.000 0.960 52 T HN 1.319 nan 8.240 nan 0.000 0.448 53 G N 0.361 109.289 108.800 0.213 0.000 3.257 53 G HA2 0.472 4.432 3.960 -0.001 0.000 0.205 53 G HA3 0.472 4.432 3.960 -0.001 0.000 0.205 53 G C -1.076 173.947 174.900 0.205 0.000 1.234 53 G CA -0.814 44.419 45.100 0.221 0.000 0.918 53 G HN 0.604 nan 8.290 nan 0.000 0.602 54 Y N 1.566 121.922 120.300 0.092 0.000 2.916 54 Y HA -0.006 4.543 4.550 -0.001 0.000 0.344 54 Y C 1.494 177.436 175.900 0.069 0.000 1.282 54 Y CA 1.808 59.944 58.100 0.061 0.000 1.604 54 Y CB -0.119 38.370 38.460 0.048 0.000 1.207 54 Y HN 0.724 nan 8.280 nan 0.000 0.561 55 Q N 3.234 122.780 119.800 -0.424 0.000 2.452 55 Q HA -0.278 4.061 4.340 -0.001 0.000 0.248 55 Q C 1.039 176.957 176.000 -0.137 0.000 0.874 55 Q CA 0.907 56.501 55.803 -0.348 0.000 1.208 55 Q CB -1.933 26.543 28.738 -0.436 0.000 1.569 55 Q HN 1.411 nan 8.270 nan 0.000 0.579 56 G N -0.018 108.744 108.800 -0.064 0.000 2.157 56 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.248 56 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.248 56 G C 0.062 174.940 174.900 -0.038 0.000 0.979 56 G CA 0.168 45.245 45.100 -0.039 0.000 0.650 56 G HN 0.293 nan 8.290 nan 0.000 0.529 57 R N 0.539 121.031 120.500 -0.013 0.000 2.570 57 R HA 0.412 4.751 4.340 -0.001 0.000 0.277 57 R C 0.271 176.423 176.300 -0.245 0.000 1.039 57 R CA 0.398 56.428 56.100 -0.117 0.000 1.065 57 R CB 0.463 30.762 30.300 -0.001 0.000 0.964 57 R HN 0.280 nan 8.270 nan 0.000 0.428 58 K N 2.667 122.810 120.400 -0.429 0.000 2.164 58 K HA 0.368 4.687 4.320 -0.001 0.000 0.258 58 K C -1.216 175.020 176.600 -0.607 0.000 0.951 58 K CA -0.536 55.550 56.287 -0.334 0.000 0.844 58 K CB 1.461 33.868 32.500 -0.156 0.000 1.099 58 K HN 0.389 nan 8.250 nan 0.000 0.435 59 Y N 0.033 120.357 120.300 0.040 0.000 2.492 59 Y HA 0.180 4.729 4.550 -0.001 0.000 0.346 59 Y C -0.499 175.411 175.900 0.016 0.000 0.997 59 Y CA -1.196 56.931 58.100 0.044 0.000 1.025 59 Y CB 1.668 40.156 38.460 0.047 0.000 1.263 59 Y HN 0.462 nan 8.280 nan 0.000 0.454 60 D N 2.570 123.047 120.400 0.127 0.000 2.339 60 D HA 0.134 4.773 4.640 -0.001 0.000 0.241 60 D C 0.433 176.802 176.300 0.114 0.000 1.183 60 D CA 0.220 54.260 54.000 0.067 0.000 0.859 60 D CB 1.648 42.417 40.800 -0.053 0.000 1.067 60 D HN 0.536 nan 8.370 nan 0.000 0.484 61 I N 2.393 123.061 120.570 0.162 0.000 3.578 61 I HA 0.102 4.272 4.170 -0.001 0.000 0.295 61 I C 1.310 177.694 176.117 0.444 0.000 1.280 61 I CA 0.396 61.815 61.300 0.200 0.000 1.347 61 I CB 0.212 38.256 38.000 0.072 0.000 1.051 61 I HN 0.386 nan 8.210 nan 0.000 0.460 62 G N -0.602 108.426 108.800 0.380 0.000 3.410 62 G HA2 0.582 4.542 3.960 -0.001 0.000 0.189 62 G HA3 0.582 4.542 3.960 -0.001 0.000 0.189 62 G C -0.191 174.706 174.900 -0.006 0.000 1.404 62 G CA 0.073 45.306 45.100 0.222 0.000 0.898 62 G HN 0.332 nan 8.290 nan 0.000 0.650 63 A N -0.743 121.956 122.820 -0.201 0.000 2.483 63 A HA 0.524 4.844 4.320 -0.001 0.000 0.238 63 A C 0.960 178.452 177.584 -0.152 0.000 1.070 63 A CA 0.835 52.721 52.037 -0.251 0.000 0.770 63 A CB 0.660 19.312 19.000 -0.580 0.000 1.008 63 A HN 0.523 nan 8.150 nan 0.000 0.497 64 S N 0.276 115.913 115.700 -0.105 0.000 2.663 64 S HA 0.182 4.651 4.470 -0.001 0.000 0.247 64 S C -0.046 174.203 174.600 -0.584 0.000 1.074 64 S CA -0.247 57.671 58.200 -0.469 0.000 0.955 64 S CB 0.160 62.779 63.200 -0.968 0.000 0.901 64 S HN 0.745 nan 8.310 nan 0.000 0.505 65 W N 2.070 123.334 121.300 -0.060 0.000 2.706 65 W HA 0.482 5.141 4.660 -0.001 0.000 0.346 65 W C -0.389 175.886 176.519 -0.405 0.000 1.071 65 W CA -0.589 56.619 57.345 -0.228 0.000 1.206 65 W CB 0.369 29.744 29.460 -0.141 0.000 1.413 65 W HN 0.106 nan 8.180 nan 0.000 0.542 66 H N 2.220 121.244 119.070 -0.077 0.000 2.594 66 H HA 0.209 4.764 4.556 -0.001 0.000 0.304 66 H C 0.213 175.427 175.328 -0.190 0.000 1.068 66 H CA 0.044 56.008 56.048 -0.140 0.000 1.308 66 H CB 0.783 30.392 29.762 -0.256 0.000 1.409 66 H HN 0.204 nan 8.280 nan 0.000 0.460 67 H N 1.718 120.944 119.070 0.260 0.000 2.499 67 H HA 0.031 4.587 4.556 -0.001 0.000 0.352 67 H C 0.361 175.744 175.328 0.092 0.000 1.237 67 H CA -0.485 55.713 56.048 0.250 0.000 1.343 67 H CB 0.843 30.907 29.762 0.503 0.000 1.578 67 H HN 0.644 nan 8.280 nan 0.000 0.577 68 D N 0.473 121.027 120.400 0.256 0.000 2.697 68 D HA -0.154 4.486 4.640 -0.001 0.000 0.235 68 D C 1.044 177.283 176.300 -0.103 0.000 1.167 68 D CA 1.104 55.159 54.000 0.092 0.000 0.656 68 D CB -1.661 39.228 40.800 0.147 0.000 1.025 68 D HN 0.768 nan 8.370 nan 0.000 0.419 69 T N -3.079 111.344 114.554 -0.218 0.000 3.052 69 T HA -0.106 4.244 4.350 -0.001 0.000 0.270 69 T C 1.966 176.620 174.700 -0.077 0.000 1.147 69 T CA 0.475 62.331 62.100 -0.407 0.000 1.089 69 T CB 0.034 68.421 68.868 -0.801 0.000 0.875 69 T HN 0.428 nan 8.240 nan 0.000 0.541 70 L N 1.133 122.342 121.223 -0.023 0.000 2.270 70 L HA 0.104 4.443 4.340 -0.001 0.000 0.210 70 L C 2.833 179.720 176.870 0.029 0.000 1.104 70 L CA 1.399 56.257 54.840 0.029 0.000 0.804 70 L CB -0.122 41.954 42.059 0.028 0.000 0.937 70 L HN 0.549 nan 8.230 nan 0.000 0.450 71 T N -6.199 108.349 114.554 -0.009 0.000 2.969 71 T HA 0.064 4.413 4.350 -0.001 0.000 0.258 71 T C 0.903 175.542 174.700 -0.102 0.000 0.962 71 T CA -0.387 61.704 62.100 -0.014 0.000 0.903 71 T CB -0.222 68.659 68.868 0.022 0.000 1.177 71 T HN -0.039 nan 8.240 nan 0.000 0.511 72 N N 4.449 122.995 118.700 -0.256 0.000 2.394 72 N HA 0.039 4.779 4.740 -0.001 0.000 0.282 72 N C -1.212 174.143 175.510 -0.260 0.000 1.351 72 N CA -1.224 51.499 53.050 -0.545 0.000 0.936 72 N CB 1.246 39.408 38.487 -0.542 0.000 1.274 72 N HN 0.219 nan 8.380 nan 0.000 0.489 73 P HA -0.188 nan 4.420 nan 0.000 0.217 73 P C 1.629 178.672 177.300 -0.429 0.000 1.150 73 P CA 0.586 63.599 63.100 -0.144 0.000 0.832 73 P CB 0.345 32.119 31.700 0.123 0.000 0.787 74 L N -0.827 119.978 121.223 -0.697 0.000 2.046 74 L HA -0.105 4.235 4.340 -0.001 0.000 0.208 74 L C 2.474 179.103 176.870 -0.402 0.000 1.077 74 L CA 1.700 56.037 54.840 -0.838 0.000 0.747 74 L CB -1.719 39.916 42.059 -0.706 0.000 0.896 74 L HN -0.181 nan 8.230 nan 0.000 0.432 75 F N -0.345 119.351 119.950 -0.424 0.000 2.113 75 F HA -0.164 4.362 4.527 -0.001 0.000 0.297 75 F C 2.056 177.630 175.800 -0.377 0.000 1.103 75 F CA 1.723 59.382 58.000 -0.569 0.000 1.248 75 F CB -0.410 38.248 39.000 -0.570 0.000 0.999 75 F HN 0.048 nan 8.300 nan 0.000 0.475 76 L N 0.231 121.210 121.223 -0.408 0.000 2.042 76 L HA -0.241 4.099 4.340 -0.001 0.000 0.210 76 L C 2.528 179.201 176.870 -0.329 0.000 1.076 76 L CA 1.996 56.620 54.840 -0.358 0.000 0.749 76 L CB -0.952 41.038 42.059 -0.115 0.000 0.893 76 L HN 0.286 nan 8.230 nan 0.000 0.432 77 E N 0.144 120.183 120.200 -0.269 0.000 2.058 77 E HA -0.240 4.110 4.350 -0.001 0.000 0.194 77 E C 2.110 178.595 176.600 -0.193 0.000 0.997 77 E CA 1.219 57.518 56.400 -0.168 0.000 0.801 77 E CB 0.141 29.768 29.700 -0.121 0.000 0.746 77 E HN 0.378 nan 8.360 nan 0.000 0.450 78 E N 0.182 120.210 120.200 -0.288 0.000 2.051 78 E HA -0.195 4.155 4.350 -0.001 0.000 0.192 78 E C 2.038 178.531 176.600 -0.178 0.000 0.991 78 E CA 1.039 57.313 56.400 -0.210 0.000 0.799 78 E CB -0.332 29.228 29.700 -0.234 0.000 0.748 78 E HN 0.381 nan 8.360 nan 0.000 0.449 79 A N 1.126 123.708 122.820 -0.397 0.000 1.978 79 A HA -0.260 4.060 4.320 -0.001 0.000 0.220 79 A C 2.159 179.679 177.584 -0.106 0.000 1.170 79 A CA 1.910 53.812 52.037 -0.224 0.000 0.636 79 A CB -0.428 18.231 19.000 -0.567 0.000 0.810 79 A HN 0.138 nan 8.150 nan 0.000 0.448 80 Q N -0.131 119.592 119.800 -0.130 0.000 2.079 80 Q HA -0.020 4.320 4.340 -0.001 0.000 0.200 80 Q C 1.889 177.857 176.000 -0.054 0.000 0.974 80 Q CA 1.482 57.243 55.803 -0.071 0.000 0.840 80 Q CB -0.467 28.234 28.738 -0.061 0.000 0.898 80 Q HN 0.663 nan 8.270 nan 0.000 0.430 81 L N -0.355 120.832 121.223 -0.061 0.000 2.013 81 L HA -0.226 4.113 4.340 -0.001 0.000 0.212 81 L C 2.315 179.150 176.870 -0.060 0.000 1.073 81 L CA 1.570 56.380 54.840 -0.050 0.000 0.753 81 L CB -0.567 41.463 42.059 -0.048 0.000 0.890 81 L HN 0.158 nan 8.230 nan 0.000 0.432 82 S N -0.302 115.351 115.700 -0.079 0.000 2.447 82 S HA -0.113 4.356 4.470 -0.001 0.000 0.233 82 S C 1.740 176.299 174.600 -0.069 0.000 1.006 82 S CA 0.789 58.926 58.200 -0.106 0.000 0.957 82 S CB -0.153 62.929 63.200 -0.197 0.000 0.773 82 S HN 0.234 nan 8.310 nan 0.000 0.507 83 L N 2.106 123.303 121.223 -0.043 0.000 2.179 83 L HA 0.140 4.479 4.340 -0.001 0.000 0.208 83 L C 1.442 178.296 176.870 -0.027 0.000 1.096 83 L CA 1.435 56.260 54.840 -0.025 0.000 0.779 83 L CB -0.483 41.567 42.059 -0.015 0.000 0.922 83 L HN 0.122 nan 8.230 nan 0.000 0.443 84 N N 0.014 118.696 118.700 -0.031 0.000 2.333 84 N HA -0.069 4.670 4.740 -0.001 0.000 0.178 84 N C 0.615 176.108 175.510 -0.028 0.000 1.018 84 N CA 1.273 54.308 53.050 -0.026 0.000 0.882 84 N CB -0.065 38.408 38.487 -0.023 0.000 0.984 84 N HN 0.609 nan 8.380 nan 0.000 0.434 85 D N -1.852 118.525 120.400 -0.037 0.000 2.503 85 D HA 0.193 4.833 4.640 -0.001 0.000 0.218 85 D C 0.942 177.215 176.300 -0.045 0.000 1.183 85 D CA -0.143 53.835 54.000 -0.038 0.000 0.827 85 D CB -0.295 40.482 40.800 -0.038 0.000 1.034 85 D HN 0.058 nan 8.370 nan 0.000 0.510 86 G N 1.172 109.942 108.800 -0.050 0.000 2.296 86 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.282 86 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.282 86 G C 0.205 175.061 174.900 -0.072 0.000 1.014 86 G CA 0.477 45.543 45.100 -0.056 0.000 0.812 86 G HN 0.607 nan 8.290 nan 0.000 0.508 87 R N 0.006 120.452 120.500 -0.090 0.000 2.312 87 R HA 0.497 4.837 4.340 -0.001 0.000 0.311 87 R C 0.155 176.358 176.300 -0.162 0.000 1.004 87 R CA -0.368 55.671 56.100 -0.101 0.000 0.902 87 R CB 0.636 30.886 30.300 -0.083 0.000 1.073 87 R HN 0.053 nan 8.270 nan 0.000 0.457 88 T N 5.025 119.487 114.554 -0.155 0.000 2.751 88 T HA 0.118 4.467 4.350 -0.001 0.000 0.290 88 T C 0.921 175.480 174.700 -0.236 0.000 0.919 88 T CA 0.150 62.120 62.100 -0.217 0.000 1.136 88 T CB 0.412 69.206 68.868 -0.123 0.000 0.875 88 T HN 0.553 nan 8.240 nan 0.000 0.532 89 R N 1.734 121.985 120.500 -0.414 0.000 2.307 89 R HA 0.264 4.603 4.340 -0.001 0.000 0.200 89 R C -0.113 176.118 176.300 -0.116 0.000 0.893 89 R CA 0.311 56.256 56.100 -0.258 0.000 1.042 89 R CB 0.494 30.675 30.300 -0.199 0.000 1.059 89 R HN 0.664 nan 8.270 nan 0.000 0.530 90 F N -3.466 116.516 119.950 0.054 0.000 2.831 90 F HA 0.633 5.160 4.527 -0.001 0.000 0.318 90 F C -1.388 174.507 175.800 0.158 0.000 1.174 90 F CA -1.732 56.321 58.000 0.089 0.000 0.918 90 F CB 1.105 40.177 39.000 0.119 0.000 1.364 90 F HN -0.354 nan 8.300 nan 0.000 0.475 91 V N 1.464 121.721 119.914 0.572 0.000 2.752 91 V HA 0.516 4.635 4.120 -0.001 0.000 0.302 91 V C -1.689 174.645 176.094 0.399 0.000 1.133 91 V CA -0.776 61.818 62.300 0.490 0.000 0.919 91 V CB 1.569 33.584 31.823 0.320 0.000 1.026 91 V HN 0.677 nan 8.190 nan 0.000 0.429 92 F N 6.284 126.422 119.950 0.313 0.000 2.494 92 F HA 0.324 4.851 4.527 -0.001 0.000 0.369 92 F C 1.251 177.160 175.800 0.183 0.000 1.098 92 F CA -0.106 58.017 58.000 0.205 0.000 1.154 92 F CB 0.669 39.748 39.000 0.131 0.000 1.103 92 F HN 0.711 nan 8.300 nan 0.000 0.549 93 D N 0.615 121.190 120.400 0.292 0.000 2.538 93 D HA 0.034 4.674 4.640 -0.001 0.000 0.231 93 D C -0.265 176.140 176.300 0.175 0.000 1.229 93 D CA -0.263 53.867 54.000 0.216 0.000 0.828 93 D CB -0.330 40.580 40.800 0.182 0.000 1.035 93 D HN 0.215 nan 8.370 nan 0.000 0.495 94 D N 0.911 121.414 120.400 0.171 0.000 2.399 94 D HA 0.286 4.925 4.640 -0.001 0.000 0.241 94 D C -0.216 176.137 176.300 0.089 0.000 1.133 94 D CA 0.652 54.722 54.000 0.116 0.000 0.890 94 D CB 1.404 42.263 40.800 0.099 0.000 1.201 94 D HN 0.163 nan 8.370 nan 0.000 0.432 95 D N 0.013 120.448 120.400 0.059 0.000 2.639 95 D HA 0.107 4.747 4.640 -0.001 0.000 0.271 95 D C -1.064 175.266 176.300 0.051 0.000 1.254 95 D CA -0.590 53.424 54.000 0.023 0.000 0.810 95 D CB 1.352 42.130 40.800 -0.037 0.000 1.351 95 D HN 0.085 nan 8.370 nan 0.000 0.427 96 N N 1.261 119.982 118.700 0.035 0.000 2.431 96 N HA 0.108 4.847 4.740 -0.001 0.000 0.265 96 N C -0.140 175.405 175.510 0.058 0.000 1.184 96 N CA 0.133 53.232 53.050 0.081 0.000 0.943 96 N CB 0.051 38.551 38.487 0.022 0.000 1.080 96 N HN 0.206 nan 8.380 nan 0.000 0.477 97 F N 1.878 121.762 119.950 -0.109 0.000 2.607 97 F HA 0.092 4.618 4.527 -0.001 0.000 0.374 97 F C 1.260 176.882 175.800 -0.297 0.000 1.104 97 F CA 0.168 57.999 58.000 -0.281 0.000 1.296 97 F CB 0.302 38.975 39.000 -0.544 0.000 1.085 97 F HN 0.253 nan 8.300 nan 0.000 0.584 98 I N 4.746 125.168 120.570 -0.246 0.000 2.336 98 I HA 0.205 4.374 4.170 -0.001 0.000 0.292 98 I C -0.975 175.024 176.117 -0.196 0.000 0.991 98 I CA -0.664 60.560 61.300 -0.126 0.000 1.227 98 I CB 0.936 38.872 38.000 -0.106 0.000 1.366 98 I HN 0.418 nan 8.210 nan 0.000 0.466 99 Y N 6.635 127.013 120.300 0.130 0.000 2.335 99 Y HA 0.575 5.124 4.550 -0.001 0.000 0.338 99 Y C -0.042 175.916 175.900 0.097 0.000 0.977 99 Y CA -0.632 57.555 58.100 0.145 0.000 1.114 99 Y CB 1.639 40.185 38.460 0.145 0.000 1.182 99 Y HN 0.317 nan 8.280 nan 0.000 0.463 100 I N 3.047 123.777 120.570 0.266 0.000 2.418 100 I HA 0.233 4.403 4.170 -0.001 0.000 0.287 100 I C -1.012 175.256 176.117 0.252 0.000 1.008 100 I CA -0.645 60.773 61.300 0.197 0.000 1.104 100 I CB 1.855 39.946 38.000 0.152 0.000 1.264 100 I HN 0.581 nan 8.210 nan 0.000 0.438 101 D N 3.953 124.433 120.400 0.134 0.000 2.181 101 D HA 0.099 4.738 4.640 -0.001 0.000 0.248 101 D C 1.009 177.272 176.300 -0.061 0.000 1.020 101 D CA -0.338 53.716 54.000 0.089 0.000 0.891 101 D CB 1.613 42.409 40.800 -0.006 0.000 1.187 101 D HN 0.619 nan 8.370 nan 0.000 0.443 102 E N 2.142 122.092 120.200 -0.417 0.000 2.204 102 E HA -0.221 4.128 4.350 -0.001 0.000 0.195 102 E C 0.954 177.330 176.600 -0.374 0.000 0.990 102 E CA 1.083 56.982 56.400 -0.836 0.000 0.821 102 E CB 0.311 28.962 29.700 -1.748 0.000 0.750 102 E HN 0.663 nan 8.360 nan 0.000 0.477 103 E N 0.004 120.071 120.200 -0.221 0.000 2.068 103 E HA -0.061 4.289 4.350 -0.001 0.000 0.201 103 E C 1.872 178.433 176.600 -0.066 0.000 0.947 103 E CA -0.173 56.160 56.400 -0.112 0.000 0.909 103 E CB -0.118 29.556 29.700 -0.044 0.000 1.015 103 E HN -0.049 nan 8.360 nan 0.000 0.484 104 R N 0.933 121.403 120.500 -0.049 0.000 2.421 104 R HA -0.036 4.303 4.340 -0.001 0.000 0.208 104 R C 0.722 176.973 176.300 -0.081 0.000 1.103 104 R CA 1.191 57.243 56.100 -0.081 0.000 1.065 104 R CB -1.089 29.096 30.300 -0.192 0.000 0.839 104 R HN 0.510 nan 8.270 nan 0.000 0.480 105 G N 0.389 109.156 108.800 -0.055 0.000 2.566 105 G HA2 -0.397 3.563 3.960 -0.001 0.000 0.280 105 G HA3 -0.397 3.563 3.960 -0.001 0.000 0.280 105 G C -0.757 174.138 174.900 -0.009 0.000 1.225 105 G CA 0.295 45.382 45.100 -0.021 0.000 0.966 105 G HN 0.463 nan 8.290 nan 0.000 0.560 106 R N 0.408 120.914 120.500 0.010 0.000 2.401 106 R HA 0.343 4.682 4.340 -0.001 0.000 0.299 106 R C 1.246 177.556 176.300 0.017 0.000 1.064 106 R CA 0.548 56.670 56.100 0.037 0.000 1.000 106 R CB 0.744 31.072 30.300 0.046 0.000 0.973 106 R HN 0.976 nan 8.270 nan 0.000 0.438 107 V N -1.394 118.545 119.914 0.042 0.000 3.380 107 V HA 0.079 4.199 4.120 -0.001 0.000 0.307 107 V C 0.302 176.446 176.094 0.084 0.000 1.434 107 V CA -0.455 61.838 62.300 -0.011 0.000 1.075 107 V CB -0.169 31.563 31.823 -0.152 0.000 0.954 107 V HN 0.665 nan 8.190 nan 0.000 0.444 108 D N 0.077 120.596 120.400 0.198 0.000 2.313 108 D HA 0.034 4.673 4.640 -0.001 0.000 0.247 108 D C 0.599 177.050 176.300 0.252 0.000 1.094 108 D CA -0.184 53.996 54.000 0.299 0.000 0.925 108 D CB 0.283 41.317 40.800 0.390 0.000 1.188 108 D HN 0.380 nan 8.370 nan 0.000 0.430 109 H N 0.096 119.239 119.070 0.122 0.000 2.445 109 H HA -0.222 4.334 4.556 -0.001 0.000 0.322 109 H C -1.041 174.319 175.328 0.053 0.000 1.053 109 H CA 0.777 56.873 56.048 0.079 0.000 1.109 109 H CB -0.804 29.005 29.762 0.078 0.000 1.546 109 H HN 0.524 nan 8.280 nan 0.000 0.397 110 D N 1.641 122.028 120.400 -0.021 0.000 2.280 110 D HA 0.067 4.706 4.640 -0.001 0.000 0.236 110 D C 1.392 177.641 176.300 -0.084 0.000 1.082 110 D CA -0.154 53.823 54.000 -0.039 0.000 0.834 110 D CB 0.803 41.598 40.800 -0.008 0.000 1.100 110 D HN 0.668 nan 8.370 nan 0.000 0.486 111 K N 2.821 123.167 120.400 -0.089 0.000 2.286 111 K HA -0.229 4.091 4.320 -0.001 0.000 0.203 111 K C 1.183 177.760 176.600 -0.038 0.000 1.045 111 K CA 1.510 57.751 56.287 -0.077 0.000 0.935 111 K CB 0.230 32.700 32.500 -0.050 0.000 0.737 111 K HN 0.343 nan 8.250 nan 0.000 0.460 112 E N 1.217 121.404 120.200 -0.021 0.000 2.228 112 E HA 0.042 4.392 4.350 -0.001 0.000 0.197 112 E C 1.973 178.580 176.600 0.011 0.000 0.909 112 E CA -0.074 56.325 56.400 -0.001 0.000 0.911 112 E CB -0.399 29.305 29.700 0.007 0.000 0.887 112 E HN 0.251 nan 8.360 nan 0.000 0.481 113 L N 0.871 122.099 121.223 0.009 0.000 2.093 113 L HA 0.097 4.436 4.340 -0.001 0.000 0.208 113 L C 0.904 177.789 176.870 0.025 0.000 1.085 113 L CA 0.685 55.541 54.840 0.027 0.000 0.755 113 L CB -0.617 41.447 42.059 0.009 0.000 0.904 113 L HN 0.192 nan 8.230 nan 0.000 0.435 114 L N -0.072 121.151 121.223 -0.000 0.000 3.833 114 L HA -0.284 4.055 4.340 -0.001 0.000 0.447 114 L C 1.425 178.306 176.870 0.018 0.000 1.213 114 L CA -0.214 54.624 54.840 -0.003 0.000 0.801 114 L CB -1.572 40.487 42.059 0.001 0.000 1.676 114 L HN 0.306 nan 8.230 nan 0.000 0.883 115 L N -0.800 120.431 121.223 0.012 0.000 2.012 115 L HA -0.223 4.116 4.340 -0.001 0.000 0.210 115 L C 2.334 179.200 176.870 -0.007 0.000 1.073 115 L CA 1.897 56.739 54.840 0.002 0.000 0.748 115 L CB -0.224 41.806 42.059 -0.048 0.000 0.891 115 L HN 0.406 nan 8.230 nan 0.000 0.431 116 E N 0.396 120.594 120.200 -0.004 0.000 2.118 116 E HA -0.203 4.147 4.350 -0.001 0.000 0.195 116 E C 2.124 178.739 176.600 0.024 0.000 0.992 116 E CA 1.169 57.578 56.400 0.014 0.000 0.804 116 E CB -0.263 29.473 29.700 0.060 0.000 0.741 116 E HN 0.442 nan 8.360 nan 0.000 0.458 117 I N 0.250 120.836 120.570 0.026 0.000 2.202 117 I HA -0.230 3.939 4.170 -0.001 0.000 0.242 117 I C 2.174 178.312 176.117 0.035 0.000 1.091 117 I CA 1.167 62.484 61.300 0.028 0.000 1.368 117 I CB -0.320 37.694 38.000 0.024 0.000 1.058 117 I HN 0.100 nan 8.210 nan 0.000 0.410 118 V N -1.764 118.180 119.914 0.050 0.000 2.809 118 V HA -0.214 3.905 4.120 -0.001 0.000 0.256 118 V C 1.999 178.097 176.094 0.007 0.000 1.080 118 V CA 1.980 64.325 62.300 0.075 0.000 1.102 118 V CB -0.846 31.059 31.823 0.137 0.000 0.705 118 V HN 0.365 nan 8.190 nan 0.000 0.475 119 D N 1.383 121.790 120.400 0.011 0.000 2.117 119 D HA -0.246 4.394 4.640 -0.001 0.000 0.197 119 D C 2.126 178.427 176.300 0.002 0.000 0.987 119 D CA 1.683 55.691 54.000 0.013 0.000 0.829 119 D CB -0.424 40.419 40.800 0.072 0.000 0.961 119 D HN 0.497 nan 8.370 nan 0.000 0.460 120 N N 0.443 119.148 118.700 0.008 0.000 2.149 120 N HA -0.225 4.515 4.740 -0.001 0.000 0.188 120 N C 1.736 177.226 175.510 -0.034 0.000 1.019 120 N CA 1.188 54.236 53.050 -0.004 0.000 0.857 120 N CB -0.133 38.356 38.487 0.003 0.000 0.997 120 N HN 0.407 nan 8.380 nan 0.000 0.426 121 E N -0.150 120.034 120.200 -0.026 0.000 2.106 121 E HA -0.132 4.218 4.350 -0.001 0.000 0.192 121 E C 2.169 178.704 176.600 -0.107 0.000 0.984 121 E CA 0.590 56.988 56.400 -0.004 0.000 0.806 121 E CB 0.015 29.773 29.700 0.096 0.000 0.750 121 E HN 0.305 nan 8.360 nan 0.000 0.458 122 M N 0.435 119.813 119.600 -0.370 0.000 2.117 122 M HA -0.168 4.312 4.480 -0.001 0.000 0.262 122 M C 2.573 178.739 176.300 -0.222 0.000 1.065 122 M CA 1.357 56.285 55.300 -0.620 0.000 1.114 122 M CB -0.504 31.706 32.600 -0.650 0.000 1.361 122 M HN 0.151 nan 8.290 nan 0.000 0.408 123 S N 0.080 115.644 115.700 -0.227 0.000 2.359 123 S HA -0.211 4.258 4.470 -0.001 0.000 0.224 123 S C 1.883 176.258 174.600 -0.376 0.000 1.035 123 S CA 1.835 59.740 58.200 -0.491 0.000 1.018 123 S CB -0.115 62.947 63.200 -0.229 0.000 0.876 123 S HN 0.316 nan 8.310 nan 0.000 0.448 124 K N 0.235 120.537 120.400 -0.163 0.000 2.148 124 K HA 0.023 4.343 4.320 -0.001 0.000 0.204 124 K C 1.699 178.272 176.600 -0.045 0.000 1.050 124 K CA 1.292 57.523 56.287 -0.093 0.000 0.942 124 K CB -0.669 31.816 32.500 -0.025 0.000 0.724 124 K HN 0.527 nan 8.250 nan 0.000 0.446 125 F N 0.337 120.216 119.950 -0.118 0.000 2.102 125 F HA -0.118 4.409 4.527 -0.001 0.000 0.298 125 F C 1.813 177.569 175.800 -0.073 0.000 1.105 125 F CA 1.551 59.529 58.000 -0.038 0.000 1.239 125 F CB -0.561 38.483 39.000 0.073 0.000 0.991 125 F HN 0.031 nan 8.300 nan 0.000 0.474 126 A N 0.163 122.891 122.820 -0.154 0.000 1.902 126 A HA -0.227 4.093 4.320 -0.001 0.000 0.217 126 A C 2.315 179.814 177.584 -0.141 0.000 1.181 126 A CA 1.736 53.680 52.037 -0.155 0.000 0.623 126 A CB -1.115 17.833 19.000 -0.087 0.000 0.818 126 A HN 0.588 nan 8.150 nan 0.000 0.443 127 E N 0.046 120.118 120.200 -0.214 0.000 2.085 127 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 127 E C 1.957 178.495 176.600 -0.104 0.000 0.994 127 E CA 1.264 57.555 56.400 -0.182 0.000 0.801 127 E CB -0.219 29.338 29.700 -0.237 0.000 0.743 127 E HN 0.637 nan 8.360 nan 0.000 0.453 128 L N 0.481 121.609 121.223 -0.158 0.000 2.131 128 L HA -0.159 4.181 4.340 -0.001 0.000 0.210 128 L C 2.601 179.317 176.870 -0.257 0.000 1.092 128 L CA 1.192 55.941 54.840 -0.152 0.000 0.759 128 L CB -0.377 41.588 42.059 -0.156 0.000 0.903 128 L HN 0.164 nan 8.230 nan 0.000 0.435 129 E N 0.208 120.127 120.200 -0.469 0.000 2.106 129 E HA -0.175 4.175 4.350 -0.001 0.000 0.192 129 E C 1.766 177.993 176.600 -0.622 0.000 0.984 129 E CA 1.699 57.694 56.400 -0.675 0.000 0.806 129 E CB 0.008 29.088 29.700 -1.032 0.000 0.750 129 E HN 0.444 nan 8.360 nan 0.000 0.458 130 F N -2.460 117.434 119.950 -0.094 0.000 2.602 130 F HA 0.218 4.745 4.527 -0.001 0.000 0.284 130 F C 2.058 177.908 175.800 0.083 0.000 1.111 130 F CA 0.156 58.154 58.000 -0.004 0.000 1.405 130 F CB -0.175 38.829 39.000 0.007 0.000 1.121 130 F HN 0.073 nan 8.300 nan 0.000 0.603 131 H N 0.341 119.484 119.070 0.122 0.000 2.518 131 H HA -0.157 4.399 4.556 -0.001 0.000 0.292 131 H C 1.214 176.492 175.328 -0.083 0.000 1.068 131 H CA 0.342 56.432 56.048 0.071 0.000 1.275 131 H CB 0.190 29.956 29.762 0.006 0.000 1.375 131 H HN 0.192 nan 8.280 nan 0.000 0.563 132 Q N 1.886 121.683 119.800 -0.005 0.000 2.641 132 Q HA -0.037 4.302 4.340 -0.001 0.000 0.225 132 Q C -0.729 175.231 176.000 -0.066 0.000 1.309 132 Q CA -0.786 54.917 55.803 -0.166 0.000 0.935 132 Q CB -0.164 28.499 28.738 -0.125 0.000 1.557 132 Q HN 0.451 nan 8.270 nan 0.000 0.563 133 H N 3.477 122.570 119.070 0.039 0.000 3.241 133 H HA -0.066 4.489 4.556 -0.001 0.000 0.236 133 H C -0.492 174.856 175.328 0.034 0.000 0.801 133 H CA 0.698 56.772 56.048 0.044 0.000 1.394 133 H CB -0.504 29.271 29.762 0.022 0.000 1.482 133 H HN 0.455 nan 8.280 nan 0.000 0.500 134 L N 0.699 122.013 121.223 0.152 0.000 2.828 134 L HA 0.412 4.751 4.340 -0.001 0.000 0.264 134 L C 1.260 178.187 176.870 0.096 0.000 1.106 134 L CA -0.406 54.489 54.840 0.093 0.000 0.955 134 L CB 1.071 43.158 42.059 0.047 0.000 1.558 134 L HN 0.560 nan 8.230 nan 0.000 0.386 135 G N -0.439 108.404 108.800 0.071 0.000 3.639 135 G HA2 0.341 4.300 3.960 -0.001 0.000 0.279 135 G HA3 0.341 4.300 3.960 -0.001 0.000 0.279 135 G C 0.954 175.902 174.900 0.079 0.000 1.312 135 G CA 0.248 45.391 45.100 0.072 0.000 1.355 135 G HN 0.377 nan 8.290 nan 0.000 0.595 136 V N 0.071 120.043 119.914 0.096 0.000 2.311 136 V HA -0.224 3.895 4.120 -0.001 0.000 0.259 136 V C 1.463 177.626 176.094 0.115 0.000 1.086 136 V CA 1.670 64.023 62.300 0.088 0.000 1.078 136 V CB -1.222 30.677 31.823 0.127 0.000 0.668 136 V HN 1.126 nan 8.190 nan 0.000 0.452 137 S N -0.801 114.994 115.700 0.160 0.000 2.862 137 S HA -0.133 4.336 4.470 -0.001 0.000 0.856 137 S C -0.550 174.188 174.600 0.230 0.000 0.886 137 S CA 0.084 58.374 58.200 0.151 0.000 1.464 137 S CB -0.846 62.414 63.200 0.100 0.000 1.050 137 S HN 0.721 nan 8.310 nan 0.000 0.253 138 D N 2.055 122.572 120.400 0.195 0.000 2.358 138 D HA 0.745 5.384 4.640 -0.001 0.000 0.244 138 D C 0.724 177.137 176.300 0.188 0.000 1.163 138 D CA 0.650 54.772 54.000 0.204 0.000 0.945 138 D CB 1.081 41.948 40.800 0.111 0.000 1.152 138 D HN 1.308 nan 8.370 nan 0.000 0.451 139 C N -0.553 118.869 119.300 0.204 0.000 3.320 139 C HA 0.759 5.218 4.460 -0.001 0.000 0.335 139 C C -0.072 175.025 174.990 0.178 0.000 1.430 139 C CA -0.809 58.312 59.018 0.172 0.000 1.271 139 C CB 0.564 28.410 27.740 0.177 0.000 1.609 139 C HN 0.599 nan 8.230 nan 0.000 0.457 140 S N 0.136 115.930 115.700 0.157 0.000 2.614 140 S HA 0.373 4.843 4.470 -0.001 0.000 0.265 140 S C 0.511 175.266 174.600 0.258 0.000 1.303 140 S CA -0.008 58.300 58.200 0.180 0.000 1.000 140 S CB 0.279 63.561 63.200 0.135 0.000 0.935 140 S HN 1.306 nan 8.310 nan 0.000 0.551 141 F N 1.467 121.499 119.950 0.137 0.000 2.126 141 F HA -0.111 4.415 4.527 -0.001 0.000 0.299 141 F C 1.843 177.753 175.800 0.184 0.000 1.096 141 F CA 1.636 59.748 58.000 0.186 0.000 1.255 141 F CB -0.275 38.841 39.000 0.194 0.000 0.997 141 F HN 0.745 nan 8.300 nan 0.000 0.479 142 F N 1.752 121.569 119.950 -0.221 0.000 2.091 142 F HA -0.286 4.240 4.527 -0.001 0.000 0.299 142 F C 2.387 177.931 175.800 -0.428 0.000 1.103 142 F CA 2.235 59.798 58.000 -0.727 0.000 1.228 142 F CB -0.922 37.400 39.000 -1.130 0.000 0.984 142 F HN 0.056 nan 8.300 nan 0.000 0.477 143 Q N -0.139 119.483 119.800 -0.296 0.000 2.170 143 Q HA -0.195 4.144 4.340 -0.001 0.000 0.203 143 Q C 2.173 178.068 176.000 -0.176 0.000 0.976 143 Q CA 1.590 57.222 55.803 -0.284 0.000 0.858 143 Q CB -0.399 28.338 28.738 -0.000 0.000 0.907 143 Q HN 0.510 nan 8.270 nan 0.000 0.433 144 L N -0.185 121.026 121.223 -0.021 0.000 2.109 144 L HA -0.112 4.227 4.340 -0.001 0.000 0.207 144 L C 1.971 178.894 176.870 0.089 0.000 1.086 144 L CA 1.164 56.102 54.840 0.163 0.000 0.760 144 L CB -0.061 42.232 42.059 0.391 0.000 0.910 144 L HN -0.034 nan 8.230 nan 0.000 0.437 145 V N -0.772 119.052 119.914 -0.151 0.000 2.548 145 V HA -0.213 3.906 4.120 -0.001 0.000 0.249 145 V C 2.480 178.504 176.094 -0.116 0.000 1.055 145 V CA 1.298 63.528 62.300 -0.117 0.000 1.065 145 V CB -0.500 31.213 31.823 -0.183 0.000 0.681 145 V HN 0.365 nan 8.190 nan 0.000 0.462 146 M N -0.006 119.398 119.600 -0.327 0.000 2.175 146 M HA -0.130 4.349 4.480 -0.001 0.000 0.264 146 M C 2.162 178.358 176.300 -0.172 0.000 1.063 146 M CA 1.625 56.752 55.300 -0.288 0.000 1.119 146 M CB -1.167 31.141 32.600 -0.487 0.000 1.377 146 M HN 0.301 nan 8.290 nan 0.000 0.415 147 K N -0.560 119.772 120.400 -0.114 0.000 2.147 147 K HA -0.214 4.106 4.320 -0.001 0.000 0.205 147 K C 2.109 178.616 176.600 -0.155 0.000 1.049 147 K CA 1.195 57.457 56.287 -0.042 0.000 0.936 147 K CB -0.190 32.378 32.500 0.113 0.000 0.722 147 K HN 0.247 nan 8.250 nan 0.000 0.446 148 Y N 1.296 121.360 120.300 -0.394 0.000 2.163 148 Y HA -0.139 4.410 4.550 -0.001 0.000 0.288 148 Y C 1.630 177.273 175.900 -0.429 0.000 1.136 148 Y CA 1.409 59.027 58.100 -0.804 0.000 1.147 148 Y CB -0.248 37.790 38.460 -0.703 0.000 0.987 148 Y HN -0.040 nan 8.280 nan 0.000 0.509 149 L N -0.300 120.734 121.223 -0.315 0.000 2.042 149 L HA -0.278 4.061 4.340 -0.001 0.000 0.210 149 L C 2.556 179.212 176.870 -0.358 0.000 1.076 149 L CA 1.441 56.091 54.840 -0.316 0.000 0.749 149 L CB -0.750 41.252 42.059 -0.095 0.000 0.893 149 L HN 0.329 nan 8.230 nan 0.000 0.432 150 L N -0.648 120.401 121.223 -0.289 0.000 2.027 150 L HA -0.248 4.092 4.340 -0.001 0.000 0.206 150 L C 2.755 179.467 176.870 -0.264 0.000 1.074 150 L CA 1.420 56.113 54.840 -0.244 0.000 0.745 150 L CB -0.392 41.563 42.059 -0.174 0.000 0.898 150 L HN 0.388 nan 8.230 nan 0.000 0.433 151 Q N -0.190 119.436 119.800 -0.290 0.000 2.224 151 Q HA -0.148 4.191 4.340 -0.001 0.000 0.203 151 Q C 1.178 177.015 176.000 -0.272 0.000 0.970 151 Q CA 1.038 56.703 55.803 -0.230 0.000 0.865 151 Q CB 0.348 28.992 28.738 -0.156 0.000 0.922 151 Q HN 0.298 nan 8.270 nan 0.000 0.445 152 R N 0.170 120.398 120.500 -0.453 0.000 2.577 152 R HA 0.109 4.449 4.340 -0.001 0.000 0.344 152 R C 1.487 177.546 176.300 -0.403 0.000 1.037 152 R CA -0.007 55.874 56.100 -0.364 0.000 1.102 152 R CB 0.148 30.139 30.300 -0.515 0.000 1.313 152 R HN 0.351 nan 8.270 nan 0.000 0.561 153 R N 0.695 120.952 120.500 -0.405 0.000 2.127 153 R HA -0.151 4.188 4.340 -0.001 0.000 0.238 153 R C 1.516 177.585 176.300 -0.384 0.000 1.134 153 R CA 1.389 57.287 56.100 -0.336 0.000 0.975 153 R CB -0.337 29.791 30.300 -0.287 0.000 0.865 153 R HN 0.208 nan 8.270 nan 0.000 0.447 154 Q N 0.410 119.834 119.800 -0.627 0.000 2.364 154 Q HA -0.076 4.263 4.340 -0.001 0.000 0.209 154 Q C 0.290 175.863 176.000 -0.713 0.000 0.977 154 Q CA 1.107 56.455 55.803 -0.758 0.000 0.885 154 Q CB 0.070 28.166 28.738 -1.071 0.000 0.941 154 Q HN 0.561 nan 8.270 nan 0.000 0.464 155 F N 0.043 119.937 119.950 -0.093 0.000 2.735 155 F HA 0.347 4.873 4.527 -0.001 0.000 0.304 155 F C -0.423 175.345 175.800 -0.052 0.000 1.119 155 F CA -0.557 57.404 58.000 -0.065 0.000 1.280 155 F CB 0.707 39.670 39.000 -0.062 0.000 0.994 155 F HN -0.136 nan 8.300 nan 0.000 0.520 156 L N 0.381 121.609 121.223 0.008 0.000 2.401 156 L HA 0.489 4.828 4.340 -0.001 0.000 0.266 156 L C 0.305 177.173 176.870 -0.002 0.000 0.991 156 L CA -1.000 53.851 54.840 0.017 0.000 0.818 156 L CB 2.323 44.373 42.059 -0.016 0.000 1.321 156 L HN 0.040 nan 8.230 nan 0.000 0.413 157 T N -2.470 112.101 114.554 0.028 0.000 2.828 157 T HA 0.170 4.520 4.350 -0.001 0.000 0.290 157 T C 0.912 175.625 174.700 0.021 0.000 1.019 157 T CA -0.571 61.543 62.100 0.023 0.000 1.031 157 T CB 0.860 69.754 68.868 0.043 0.000 1.001 157 T HN 0.492 nan 8.240 nan 0.000 0.531 158 N N 1.097 119.804 118.700 0.013 0.000 2.043 158 N HA -0.116 4.624 4.740 -0.001 0.000 0.193 158 N C 1.438 176.974 175.510 0.044 0.000 1.037 158 N CA 1.518 54.572 53.050 0.007 0.000 0.851 158 N CB -0.703 37.786 38.487 0.003 0.000 1.027 158 N HN 0.664 nan 8.380 nan 0.000 0.422 159 D N 0.699 121.153 120.400 0.090 0.000 2.149 159 D HA -0.127 4.512 4.640 -0.001 0.000 0.198 159 D C 1.937 178.372 176.300 0.226 0.000 0.990 159 D CA 0.868 54.982 54.000 0.191 0.000 0.839 159 D CB -0.183 40.754 40.800 0.228 0.000 0.948 159 D HN 0.452 nan 8.370 nan 0.000 0.460 160 Q N -0.193 119.697 119.800 0.151 0.000 2.079 160 Q HA -0.015 4.325 4.340 -0.001 0.000 0.200 160 Q C 2.418 178.507 176.000 0.149 0.000 0.974 160 Q CA 0.613 56.507 55.803 0.152 0.000 0.840 160 Q CB 0.060 28.868 28.738 0.116 0.000 0.898 160 Q HN 0.341 nan 8.270 nan 0.000 0.430 161 I N 0.448 121.083 120.570 0.108 0.000 2.454 161 I HA -0.265 3.905 4.170 -0.001 0.000 0.254 161 I C 2.586 178.844 176.117 0.235 0.000 1.156 161 I CA 0.956 62.332 61.300 0.127 0.000 1.433 161 I CB -0.175 37.832 38.000 0.012 0.000 1.082 161 I HN 0.173 nan 8.210 nan 0.000 0.432 162 R N 0.287 120.848 120.500 0.102 0.000 2.066 162 R HA -0.119 4.221 4.340 -0.001 0.000 0.224 162 R C 2.107 178.271 176.300 -0.227 0.000 1.122 162 R CA 1.401 57.469 56.100 -0.052 0.000 0.974 162 R CB -0.146 29.939 30.300 -0.359 0.000 0.871 162 R HN 0.245 nan 8.270 nan 0.000 0.435 163 Y N -0.039 120.314 120.300 0.088 0.000 2.476 163 Y HA -0.016 4.533 4.550 -0.001 0.000 0.283 163 Y C 1.909 177.822 175.900 0.023 0.000 1.109 163 Y CA 0.000 58.125 58.100 0.040 0.000 1.246 163 Y CB -0.022 38.457 38.460 0.031 0.000 1.068 163 Y HN 0.085 nan 8.280 nan 0.000 0.552 164 L N 2.475 123.807 121.223 0.181 0.000 1.990 164 L HA -0.142 4.198 4.340 -0.001 0.000 0.213 164 L C -0.610 176.310 176.870 0.084 0.000 1.072 164 L CA 2.070 56.983 54.840 0.121 0.000 0.755 164 L CB -1.720 40.428 42.059 0.150 0.000 0.889 164 L HN -0.018 nan 8.230 nan 0.000 0.432 165 P HA -0.216 nan 4.420 nan 0.000 0.216 165 P C 1.204 178.443 177.300 -0.102 0.000 1.153 165 P CA 1.575 64.727 63.100 0.088 0.000 0.858 165 P CB -0.199 31.603 31.700 0.170 0.000 0.789 166 Q N -0.314 119.428 119.800 -0.096 0.000 2.119 166 Q HA -0.060 4.279 4.340 -0.001 0.000 0.201 166 Q C 2.458 178.427 176.000 -0.051 0.000 0.972 166 Q CA 0.853 56.571 55.803 -0.141 0.000 0.847 166 Q CB -1.228 27.506 28.738 -0.007 0.000 0.903 166 Q HN 0.336 nan 8.270 nan 0.000 0.433 167 L N 0.887 122.115 121.223 0.007 0.000 2.093 167 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 167 L C 2.435 179.359 176.870 0.090 0.000 1.085 167 L CA 1.494 56.330 54.840 -0.006 0.000 0.755 167 L CB -0.223 41.714 42.059 -0.202 0.000 0.904 167 L HN 0.384 nan 8.230 nan 0.000 0.435 168 C N -1.227 118.079 119.300 0.009 0.000 2.491 168 C HA 0.053 4.512 4.460 -0.001 0.000 0.277 168 C C 2.388 177.240 174.990 -0.230 0.000 1.455 168 C CA -0.216 58.754 59.018 -0.081 0.000 1.758 168 C CB -1.559 26.239 27.740 0.096 0.000 1.745 168 C HN 0.452 nan 8.230 nan 0.000 0.558 169 R N 0.240 120.658 120.500 -0.136 0.000 2.323 169 R HA 0.008 4.347 4.340 -0.001 0.000 0.198 169 R C 1.729 177.984 176.300 -0.076 0.000 0.988 169 R CA 1.042 57.071 56.100 -0.118 0.000 1.041 169 R CB -0.430 29.646 30.300 -0.373 0.000 0.926 169 R HN 0.919 nan 8.270 nan 0.000 0.476 170 Y N -1.089 119.272 120.300 0.102 0.000 2.403 170 Y HA -0.103 4.447 4.550 -0.001 0.000 0.291 170 Y C 1.535 177.471 175.900 0.060 0.000 1.143 170 Y CA 0.569 58.723 58.100 0.089 0.000 1.257 170 Y CB -0.710 37.790 38.460 0.066 0.000 0.984 170 Y HN -0.052 nan 8.280 nan 0.000 0.550 171 L N 0.690 121.631 121.223 -0.470 0.000 2.353 171 L HA -0.161 4.179 4.340 -0.001 0.000 0.220 171 L C 2.233 179.151 176.870 0.080 0.000 1.133 171 L CA 1.351 56.068 54.840 -0.205 0.000 0.798 171 L CB -0.531 41.189 42.059 -0.564 0.000 0.922 171 L HN 0.376 nan 8.230 nan 0.000 0.445 172 E N -0.022 120.229 120.200 0.085 0.000 2.153 172 E HA -0.187 4.162 4.350 -0.001 0.000 0.194 172 E C 1.830 178.539 176.600 0.182 0.000 0.988 172 E CA 0.766 57.261 56.400 0.159 0.000 0.811 172 E CB 0.002 29.780 29.700 0.130 0.000 0.746 172 E HN 0.349 nan 8.360 nan 0.000 0.466 173 L N 0.212 121.552 121.223 0.195 0.000 2.622 173 L HA -0.089 4.250 4.340 -0.001 0.000 0.233 173 L C 1.706 178.696 176.870 0.200 0.000 1.156 173 L CA 0.985 55.957 54.840 0.219 0.000 0.866 173 L CB -1.132 41.100 42.059 0.288 0.000 0.980 173 L HN 0.432 nan 8.230 nan 0.000 0.448 174 W N -0.243 121.035 121.300 -0.038 0.000 2.704 174 W HA -0.016 4.643 4.660 -0.001 0.000 0.266 174 W C 1.863 178.180 176.519 -0.337 0.000 1.266 174 W CA 0.579 57.764 57.345 -0.267 0.000 1.377 174 W CB 0.152 29.279 29.460 -0.554 0.000 1.082 174 W HN 0.293 nan 8.180 nan 0.000 0.608 175 H N -0.602 118.483 119.070 0.024 0.000 2.639 175 H HA 0.155 4.710 4.556 -0.001 0.000 0.267 175 H C 1.793 177.074 175.328 -0.078 0.000 0.958 175 H CA 1.101 57.152 56.048 0.005 0.000 1.221 175 H CB 0.301 30.091 29.762 0.047 0.000 1.446 175 H HN 0.169 nan 8.280 nan 0.000 0.512 176 G N 1.259 110.086 108.800 0.045 0.000 2.147 176 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.244 176 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.244 176 G C -0.105 174.813 174.900 0.029 0.000 1.005 176 G CA 0.267 45.340 45.100 -0.044 0.000 0.713 176 G HN 0.238 nan 8.290 nan 0.000 0.515 177 L N -0.370 120.921 121.223 0.113 0.000 2.422 177 L HA 0.485 4.824 4.340 -0.001 0.000 0.264 177 L C 0.045 177.008 176.870 0.155 0.000 0.984 177 L CA -1.181 53.734 54.840 0.125 0.000 0.819 177 L CB 1.949 44.097 42.059 0.150 0.000 1.330 177 L HN 0.206 nan 8.230 nan 0.000 0.410 178 D N 1.257 121.746 120.400 0.147 0.000 2.443 178 D HA -0.070 4.570 4.640 -0.001 0.000 0.239 178 D C 0.970 177.486 176.300 0.360 0.000 1.136 178 D CA -0.125 54.010 54.000 0.225 0.000 0.879 178 D CB 0.749 41.658 40.800 0.181 0.000 1.195 178 D HN 0.461 nan 8.370 nan 0.000 0.443 179 W N 3.794 125.186 121.300 0.154 0.000 2.480 179 W HA -0.078 4.582 4.660 -0.001 0.000 0.257 179 W C 0.565 177.202 176.519 0.197 0.000 1.235 179 W CA 0.515 58.023 57.345 0.271 0.000 1.218 179 W CB -0.925 28.731 29.460 0.328 0.000 1.131 179 W HN 0.417 nan 8.180 nan 0.000 0.606 180 K N 0.262 120.762 120.400 0.167 0.000 2.379 180 K HA 0.154 4.473 4.320 -0.001 0.000 0.194 180 K C 1.816 178.388 176.600 -0.048 0.000 1.031 180 K CA 0.422 56.656 56.287 -0.087 0.000 1.037 180 K CB 0.069 32.400 32.500 -0.282 0.000 0.824 180 K HN 0.217 nan 8.250 nan 0.000 0.516 181 L N 0.651 121.862 121.223 -0.020 0.000 2.590 181 L HA 0.156 4.495 4.340 -0.001 0.000 0.227 181 L C 0.326 177.168 176.870 -0.048 0.000 1.099 181 L CA -0.294 54.442 54.840 -0.173 0.000 0.872 181 L CB 0.242 42.143 42.059 -0.264 0.000 1.088 181 L HN 0.067 nan 8.230 nan 0.000 0.479 182 L N 0.196 121.475 121.223 0.093 0.000 2.326 182 L HA 0.270 4.609 4.340 -0.001 0.000 0.278 182 L C 0.615 177.552 176.870 0.111 0.000 1.092 182 L CA 0.079 54.983 54.840 0.106 0.000 0.810 182 L CB 1.451 43.554 42.059 0.074 0.000 1.153 182 L HN -0.092 nan 8.230 nan 0.000 0.439 183 S N 3.928 119.670 115.700 0.070 0.000 2.510 183 S HA 0.373 4.843 4.470 -0.001 0.000 0.279 183 S C 1.333 175.938 174.600 0.008 0.000 1.284 183 S CA -0.035 58.199 58.200 0.056 0.000 1.059 183 S CB 0.798 64.022 63.200 0.040 0.000 0.901 183 S HN 0.945 nan 8.310 nan 0.000 0.491 184 A N 6.106 128.979 122.820 0.088 0.000 1.877 184 A HA -0.079 4.240 4.320 -0.001 0.000 0.216 184 A C 2.140 179.615 177.584 -0.182 0.000 1.186 184 A CA 1.566 53.690 52.037 0.144 0.000 0.620 184 A CB -0.649 18.565 19.000 0.357 0.000 0.822 184 A HN 0.939 nan 8.150 nan 0.000 0.443 185 K N -1.052 119.044 120.400 -0.506 0.000 2.218 185 K HA -0.200 4.120 4.320 -0.001 0.000 0.205 185 K C 1.086 177.478 176.600 -0.347 0.000 1.046 185 K CA 1.574 57.373 56.287 -0.814 0.000 0.933 185 K CB -0.120 32.037 32.500 -0.572 0.000 0.728 185 K HN 0.468 nan 8.250 nan 0.000 0.454 186 D N -0.862 119.427 120.400 -0.184 0.000 2.369 186 D HA 0.026 4.666 4.640 -0.001 0.000 0.211 186 D C 1.130 177.400 176.300 -0.049 0.000 1.077 186 D CA 0.399 54.356 54.000 -0.070 0.000 0.842 186 D CB 0.400 41.181 40.800 -0.032 0.000 0.947 186 D HN -0.057 nan 8.370 nan 0.000 0.509 187 T N -0.408 114.043 114.554 -0.171 0.000 2.674 187 T HA -0.146 4.203 4.350 -0.001 0.000 0.265 187 T C 0.223 174.866 174.700 -0.095 0.000 1.039 187 T CA 1.102 63.008 62.100 -0.323 0.000 1.150 187 T CB -0.290 68.198 68.868 -0.632 0.000 0.864 187 T HN 0.128 nan 8.240 nan 0.000 0.427 188 Y N 2.347 122.645 120.300 -0.004 0.000 2.404 188 Y HA 0.405 4.955 4.550 -0.001 0.000 0.344 188 Y C -0.126 175.749 175.900 -0.042 0.000 0.995 188 Y CA -1.872 56.190 58.100 -0.065 0.000 1.201 188 Y CB -0.172 38.201 38.460 -0.146 0.000 1.151 188 Y HN 0.134 nan 8.280 nan 0.000 0.517 189 F N -0.348 119.467 119.950 -0.224 0.000 2.470 189 F HA 0.815 5.341 4.527 -0.001 0.000 0.329 189 F C 0.436 176.058 175.800 -0.297 0.000 1.072 189 F CA -2.800 55.039 58.000 -0.269 0.000 0.989 189 F CB 0.813 39.547 39.000 -0.442 0.000 1.193 189 F HN 0.487 nan 8.300 nan 0.000 0.481 190 G N 1.439 110.122 108.800 -0.196 0.000 2.546 190 G HA2 0.162 4.121 3.960 -0.001 0.000 0.320 190 G HA3 0.162 4.121 3.960 -0.001 0.000 0.320 190 G C -0.650 174.169 174.900 -0.136 0.000 0.984 190 G CA -0.406 44.574 45.100 -0.200 0.000 1.183 190 G HN 0.698 nan 8.290 nan 0.000 0.443 191 H N 1.669 120.580 119.070 -0.265 0.000 3.004 191 H HA 0.038 4.594 4.556 -0.001 0.000 0.316 191 H C 0.483 175.781 175.328 -0.050 0.000 1.014 191 H CA 0.781 56.747 56.048 -0.136 0.000 1.454 191 H CB 1.119 30.744 29.762 -0.228 0.000 1.472 191 H HN 0.492 nan 8.280 nan 0.000 0.571 192 Q N 2.981 122.881 119.800 0.166 0.000 3.008 192 Q HA 0.368 4.708 4.340 -0.001 0.000 0.307 192 Q C 0.537 176.572 176.000 0.059 0.000 1.273 192 Q CA -0.322 55.536 55.803 0.093 0.000 1.091 192 Q CB 0.870 29.665 28.738 0.096 0.000 1.393 192 Q HN 0.980 nan 8.270 nan 0.000 0.521 193 G N 1.053 109.874 108.800 0.035 0.000 2.592 193 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.684 193 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.684 193 G C -0.758 174.128 174.900 -0.024 0.000 1.291 193 G CA -1.147 43.959 45.100 0.009 0.000 0.891 193 G HN 0.454 nan 8.290 nan 0.000 0.544 194 R N -0.008 120.497 120.500 0.009 0.000 2.827 194 R HA 0.302 4.642 4.340 -0.001 0.000 0.269 194 R C 0.466 176.725 176.300 -0.068 0.000 1.048 194 R CA 0.309 56.419 56.100 0.017 0.000 1.173 194 R CB 0.125 30.548 30.300 0.205 0.000 1.070 194 R HN 0.631 nan 8.270 nan 0.000 0.498 195 N N -0.752 117.894 118.700 -0.090 0.000 2.466 195 N HA 0.465 5.204 4.740 -0.001 0.000 0.294 195 N C -1.346 173.982 175.510 -0.303 0.000 1.129 195 N CA -0.509 52.470 53.050 -0.119 0.000 0.931 195 N CB 1.884 40.359 38.487 -0.020 0.000 1.193 195 N HN 0.569 nan 8.380 nan 0.000 0.500 196 A N 1.138 123.734 122.820 -0.372 0.000 2.332 196 A HA 0.419 4.739 4.320 -0.001 0.000 0.300 196 A C -1.318 176.331 177.584 0.107 0.000 1.153 196 A CA -0.590 51.140 52.037 -0.511 0.000 0.764 196 A CB 0.018 18.270 19.000 -1.248 0.000 1.174 196 A HN 0.663 nan 8.150 nan 0.000 0.467 197 F N 3.484 123.502 119.950 0.114 0.000 2.502 197 F HA 0.449 4.975 4.527 -0.001 0.000 0.371 197 F C 0.871 176.652 175.800 -0.033 0.000 1.083 197 F CA -0.111 57.867 58.000 -0.038 0.000 1.174 197 F CB 0.493 39.488 39.000 -0.009 0.000 1.096 197 F HN 0.736 nan 8.300 nan 0.000 0.545 198 A N 7.404 129.899 122.820 -0.542 0.000 2.450 198 A HA 0.311 4.630 4.320 -0.001 0.000 0.255 198 A C -0.215 177.116 177.584 -0.421 0.000 1.096 198 A CA -0.432 51.340 52.037 -0.442 0.000 0.778 198 A CB -0.086 18.309 19.000 -1.009 0.000 1.031 198 A HN 0.865 nan 8.150 nan 0.000 0.494 199 L N 2.639 123.787 121.223 -0.125 0.000 2.512 199 L HA 0.408 4.747 4.340 -0.001 0.000 0.247 199 L C 0.917 177.731 176.870 -0.093 0.000 1.204 199 L CA 0.715 55.518 54.840 -0.062 0.000 1.153 199 L CB -0.956 41.119 42.059 0.027 0.000 1.415 199 L HN 1.082 nan 8.230 nan 0.000 0.406 200 N N 0.113 118.725 118.700 -0.146 0.000 3.583 200 N HA -0.193 4.546 4.740 -0.001 0.000 0.270 200 N C -0.021 175.448 175.510 -0.068 0.000 1.016 200 N CA 0.182 53.183 53.050 -0.081 0.000 0.705 200 N CB -2.109 nan 38.487 nan 0.000 1.267 200 N HN 0.439 nan 8.380 nan 0.000 0.572 201 Y N 0.228 120.450 120.300 -0.131 0.000 2.352 201 Y HA -0.158 4.392 4.550 -0.001 0.000 0.292 201 Y C 2.414 178.289 175.900 -0.042 0.000 1.136 201 Y CA 1.912 59.945 58.100 -0.113 0.000 1.227 201 Y CB 0.426 38.785 38.460 -0.168 0.000 0.991 201 Y HN 0.888 nan 8.280 nan 0.000 0.545 202 D N -1.311 119.171 120.400 0.136 0.000 2.221 202 D HA -0.168 4.472 4.640 -0.001 0.000 0.204 202 D C 1.784 178.127 176.300 0.071 0.000 0.982 202 D CA 1.492 55.547 54.000 0.093 0.000 0.857 202 D CB -0.695 40.140 40.800 0.058 0.000 0.934 202 D HN 0.188 nan 8.370 nan 0.000 0.475 203 S N -0.248 115.481 115.700 0.049 0.000 2.453 203 S HA -0.027 4.442 4.470 -0.001 0.000 0.231 203 S C 2.186 176.820 174.600 0.055 0.000 1.005 203 S CA 0.447 58.666 58.200 0.030 0.000 0.949 203 S CB 0.014 63.216 63.200 0.003 0.000 0.774 203 S HN 0.201 nan 8.310 nan 0.000 0.510 204 V N 1.094 121.066 119.914 0.097 0.000 2.407 204 V HA -0.060 4.060 4.120 -0.001 0.000 0.245 204 V C 2.289 178.476 176.094 0.154 0.000 1.041 204 V CA 1.053 63.436 62.300 0.138 0.000 1.040 204 V CB -0.562 31.390 31.823 0.217 0.000 0.671 204 V HN 0.324 nan 8.190 nan 0.000 0.455 205 V N -0.299 119.708 119.914 0.156 0.000 2.295 205 V HA -0.262 3.858 4.120 -0.001 0.000 0.246 205 V C 2.617 178.763 176.094 0.087 0.000 1.049 205 V CA 1.820 64.200 62.300 0.133 0.000 1.024 205 V CB -0.651 31.238 31.823 0.111 0.000 0.648 205 V HN 0.505 nan 8.190 nan 0.000 0.447 206 Q N -0.259 119.574 119.800 0.056 0.000 2.124 206 Q HA -0.199 4.140 4.340 -0.001 0.000 0.202 206 Q C 2.382 178.381 176.000 -0.002 0.000 0.977 206 Q CA 1.657 57.468 55.803 0.012 0.000 0.850 206 Q CB -0.446 28.294 28.738 0.004 0.000 0.901 206 Q HN 0.636 nan 8.270 nan 0.000 0.429 207 R N 0.445 120.962 120.500 0.028 0.000 2.096 207 R HA -0.070 4.269 4.340 -0.001 0.000 0.235 207 R C 2.121 178.446 176.300 0.042 0.000 1.127 207 R CA 1.015 57.131 56.100 0.027 0.000 0.968 207 R CB -0.101 30.227 30.300 0.047 0.000 0.861 207 R HN 0.207 nan 8.270 nan 0.000 0.440 208 I N 0.408 121.033 120.570 0.092 0.000 2.406 208 I HA -0.078 4.091 4.170 -0.001 0.000 0.249 208 I C 2.494 178.642 176.117 0.053 0.000 1.122 208 I CA 0.815 62.205 61.300 0.148 0.000 1.431 208 I CB -0.317 37.837 38.000 0.256 0.000 1.087 208 I HN 0.256 nan 8.210 nan 0.000 0.424 209 A N 0.246 123.044 122.820 -0.036 0.000 1.933 209 A HA -0.244 4.075 4.320 -0.001 0.000 0.218 209 A C 2.175 179.409 177.584 -0.584 0.000 1.175 209 A CA 1.480 53.347 52.037 -0.283 0.000 0.628 209 A CB -0.479 18.442 19.000 -0.132 0.000 0.814 209 A HN 0.324 nan 8.150 nan 0.000 0.444 210 Q N 0.246 119.868 119.800 -0.297 0.000 2.436 210 Q HA -0.052 4.287 4.340 -0.001 0.000 0.209 210 Q C 1.976 177.829 176.000 -0.245 0.000 0.965 210 Q CA 1.202 56.849 55.803 -0.261 0.000 0.910 210 Q CB -0.337 28.325 28.738 -0.126 0.000 0.980 210 Q HN 0.804 nan 8.270 nan 0.000 0.491 211 S N -0.797 114.784 115.700 -0.199 0.000 2.603 211 S HA 0.135 4.604 4.470 -0.001 0.000 0.220 211 S C 0.193 174.848 174.600 0.092 0.000 0.967 211 S CA -0.404 57.794 58.200 -0.005 0.000 0.920 211 S CB -0.361 62.917 63.200 0.130 0.000 0.773 211 S HN 0.297 nan 8.310 nan 0.000 0.529 212 F N -2.063 117.787 119.950 -0.166 0.000 2.685 212 F HA 0.806 5.333 4.527 -0.001 0.000 0.315 212 F C -3.438 171.942 175.800 -0.700 0.000 1.126 212 F CA -3.165 54.483 58.000 -0.586 0.000 0.950 212 F CB -0.245 38.427 39.000 -0.546 0.000 1.360 212 F HN -0.320 nan 8.300 nan 0.000 0.469 213 P HA 0.037 nan 4.420 nan 0.000 0.258 213 P C 0.357 177.524 177.300 -0.222 0.000 1.172 213 P CA 0.339 63.055 63.100 -0.639 0.000 0.762 213 P CB 0.601 31.648 31.700 -1.088 0.000 0.764 214 Q N 3.244 122.945 119.800 -0.165 0.000 2.077 214 Q HA -0.190 4.149 4.340 -0.001 0.000 0.206 214 Q C 1.537 177.585 176.000 0.080 0.000 0.989 214 Q CA 1.734 57.502 55.803 -0.059 0.000 0.853 214 Q CB -0.666 28.032 28.738 -0.067 0.000 0.907 214 Q HN 0.620 nan 8.270 nan 0.000 0.418 215 N N -0.905 117.850 118.700 0.092 0.000 2.635 215 N HA -0.173 4.566 4.740 -0.001 0.000 0.191 215 N C 1.046 176.741 175.510 0.308 0.000 1.155 215 N CA 0.683 53.832 53.050 0.165 0.000 0.927 215 N CB -0.374 38.199 38.487 0.143 0.000 0.976 215 N HN 0.275 nan 8.380 nan 0.000 0.448 216 W N 0.788 122.133 121.300 0.075 0.000 2.658 216 W HA 0.306 4.965 4.660 -0.001 0.000 0.263 216 W C 0.469 177.028 176.519 0.066 0.000 1.274 216 W CA -0.424 56.961 57.345 0.065 0.000 1.343 216 W CB -0.507 29.025 29.460 0.120 0.000 1.106 216 W HN -0.012 nan 8.180 nan 0.000 0.615 217 L N 2.081 123.505 121.223 0.334 0.000 2.281 217 L HA 0.233 4.573 4.340 -0.001 0.000 0.285 217 L C 0.093 177.028 176.870 0.108 0.000 1.074 217 L CA 0.174 55.141 54.840 0.212 0.000 0.817 217 L CB 0.571 42.748 42.059 0.195 0.000 1.168 217 L HN -0.397 nan 8.230 nan 0.000 0.434 218 K N 6.476 126.910 120.400 0.058 0.000 2.530 218 K HA 0.367 4.686 4.320 -0.001 0.000 0.230 218 K C -1.023 175.587 176.600 0.017 0.000 1.002 218 K CA -0.366 55.939 56.287 0.031 0.000 1.014 218 K CB 0.349 32.849 32.500 -0.001 0.000 1.286 218 K HN 0.586 nan 8.250 nan 0.000 0.480 219 L N 1.091 122.328 121.223 0.023 0.000 2.456 219 L HA 0.193 4.533 4.340 -0.001 0.000 0.257 219 L C 1.044 177.910 176.870 -0.006 0.000 1.162 219 L CA -0.358 54.486 54.840 0.007 0.000 0.808 219 L CB 0.538 42.607 42.059 0.017 0.000 1.136 219 L HN 0.674 nan 8.230 nan 0.000 0.466 220 S N -0.632 115.052 115.700 -0.028 0.000 3.533 220 S HA -0.196 4.273 4.470 -0.001 0.000 0.347 220 S C -0.131 174.449 174.600 -0.033 0.000 1.101 220 S CA 0.865 59.045 58.200 -0.033 0.000 1.009 220 S CB -1.207 61.990 63.200 -0.004 0.000 0.916 220 S HN 0.766 nan 8.310 nan 0.000 0.496 221 c N 1.957 120.529 118.600 -0.047 0.000 2.293 221 c HA 0.649 5.218 4.570 -0.001 0.000 0.323 221 c C -0.007 174.039 174.090 -0.073 0.000 1.240 221 c CA -0.736 55.576 56.329 -0.029 0.000 1.497 221 c CB 0.815 43.328 42.510 0.006 0.000 2.171 221 c HN 0.564 nan 8.230 nan 0.000 0.465 222 E N 4.852 125.014 120.200 -0.062 0.000 2.089 222 E HA 0.388 4.738 4.350 -0.001 0.000 0.284 222 E C -0.605 175.979 176.600 -0.027 0.000 1.023 222 E CA -0.299 56.057 56.400 -0.074 0.000 0.819 222 E CB 1.204 30.897 29.700 -0.011 0.000 1.076 222 E HN 0.733 nan 8.360 nan 0.000 0.396 223 V N 6.310 126.200 119.914 -0.040 0.000 2.529 223 V HA -0.018 4.101 4.120 -0.001 0.000 0.292 223 V C 1.094 177.166 176.094 -0.036 0.000 1.028 223 V CA 0.262 62.539 62.300 -0.039 0.000 1.074 223 V CB 1.005 32.790 31.823 -0.064 0.000 0.958 223 V HN 0.687 nan 8.190 nan 0.000 0.481 224 K N 2.571 122.946 120.400 -0.042 0.000 2.335 224 K HA 0.213 4.532 4.320 -0.001 0.000 0.195 224 K C 0.524 177.067 176.600 -0.096 0.000 1.058 224 K CA 0.534 56.793 56.287 -0.045 0.000 0.988 224 K CB 0.651 33.137 32.500 -0.024 0.000 0.880 224 K HN 0.783 nan 8.250 nan 0.000 0.513 225 S N -0.025 115.599 115.700 -0.127 0.000 2.547 225 S HA 0.639 5.108 4.470 -0.001 0.000 0.270 225 S C -0.759 173.711 174.600 -0.217 0.000 1.150 225 S CA -0.979 57.108 58.200 -0.188 0.000 0.850 225 S CB 1.633 64.766 63.200 -0.112 0.000 1.118 225 S HN 0.041 nan 8.310 nan 0.000 0.461 226 I N 1.573 121.954 120.570 -0.316 0.000 2.499 226 I HA 0.500 4.669 4.170 -0.001 0.000 0.288 226 I C -0.852 175.189 176.117 -0.127 0.000 1.048 226 I CA -0.397 60.753 61.300 -0.250 0.000 1.062 226 I CB 2.540 40.302 38.000 -0.396 0.000 1.238 226 I HN 0.713 nan 8.210 nan 0.000 0.426 227 T N 4.393 118.913 114.554 -0.057 0.000 2.861 227 T HA 0.444 4.793 4.350 -0.001 0.000 0.287 227 T C -0.458 174.241 174.700 -0.002 0.000 1.003 227 T CA -0.708 61.386 62.100 -0.010 0.000 0.977 227 T CB 1.896 70.754 68.868 -0.017 0.000 0.996 227 T HN 0.347 nan 8.240 nan 0.000 0.448 228 R N 2.760 123.271 120.500 0.018 0.000 2.207 228 R HA 0.317 4.657 4.340 -0.001 0.000 0.334 228 R C -0.309 175.985 176.300 -0.009 0.000 1.013 228 R CA -0.407 55.693 56.100 0.001 0.000 0.858 228 R CB 0.232 30.541 30.300 0.016 0.000 1.094 228 R HN 0.434 nan 8.270 nan 0.000 0.457 229 E N 6.491 126.675 120.200 -0.026 0.000 2.313 229 E HA 0.120 4.469 4.350 -0.001 0.000 0.276 229 E C -1.677 174.908 176.600 -0.025 0.000 1.031 229 E CA -2.096 54.289 56.400 -0.025 0.000 0.857 229 E CB 0.897 30.578 29.700 -0.032 0.000 1.040 229 E HN 0.505 nan 8.360 nan 0.000 0.408 230 P HA -0.135 nan 4.420 nan 0.000 0.219 230 P C 0.455 177.741 177.300 -0.023 0.000 1.146 230 P CA 0.964 64.054 63.100 -0.017 0.000 0.808 230 P CB 0.207 31.901 31.700 -0.011 0.000 0.779 231 S N 0.455 116.140 115.700 -0.026 0.000 3.122 231 S HA 0.143 4.613 4.470 -0.001 0.000 0.249 231 S C 0.291 174.866 174.600 -0.042 0.000 1.334 231 S CA -0.637 57.546 58.200 -0.029 0.000 1.251 231 S CB -0.995 62.190 63.200 -0.025 0.000 1.034 231 S HN -0.012 nan 8.310 nan 0.000 0.478 232 K N 2.340 122.710 120.400 -0.050 0.000 4.075 232 K HA -0.213 4.106 4.320 -0.001 0.000 0.278 232 K C 0.037 176.575 176.600 -0.104 0.000 0.862 232 K CA 1.162 57.404 56.287 -0.075 0.000 0.762 232 K CB -2.328 30.131 32.500 -0.068 0.000 1.660 232 K HN 1.014 nan 8.250 nan 0.000 0.437 233 N N -2.701 115.935 118.700 -0.106 0.000 3.533 233 N HA 0.277 5.016 4.740 -0.001 0.000 0.229 233 N C -1.617 173.834 175.510 -0.098 0.000 1.418 233 N CA -0.801 52.176 53.050 -0.122 0.000 0.880 233 N CB 1.347 39.781 38.487 -0.089 0.000 1.415 233 N HN -0.122 nan 8.380 nan 0.000 0.491 234 V N 0.553 120.408 119.914 -0.097 0.000 2.540 234 V HA 0.543 4.663 4.120 -0.001 0.000 0.302 234 V C -0.198 175.868 176.094 -0.047 0.000 1.035 234 V CA -0.355 61.903 62.300 -0.070 0.000 0.873 234 V CB 1.663 33.437 31.823 -0.081 0.000 0.992 234 V HN 0.779 nan 8.190 nan 0.000 0.428 235 T N 4.275 118.807 114.554 -0.037 0.000 2.795 235 T HA 0.654 5.003 4.350 -0.001 0.000 0.282 235 T C -0.436 174.248 174.700 -0.028 0.000 0.980 235 T CA -0.320 61.766 62.100 -0.023 0.000 1.012 235 T CB 1.482 70.334 68.868 -0.026 0.000 0.936 235 T HN 0.372 nan 8.240 nan 0.000 0.457 236 V N 4.333 124.250 119.914 0.005 0.000 2.656 236 V HA 0.503 4.623 4.120 -0.001 0.000 0.307 236 V C -0.556 175.564 176.094 0.044 0.000 1.051 236 V CA -1.087 61.214 62.300 0.001 0.000 0.893 236 V CB 2.080 33.904 31.823 0.002 0.000 0.999 236 V HN 0.812 nan 8.190 nan 0.000 0.426 237 N N 2.012 120.714 118.700 0.003 0.000 2.483 237 N HA 0.378 5.118 4.740 -0.001 0.000 0.267 237 N C -0.685 174.836 175.510 0.018 0.000 0.998 237 N CA -0.323 52.732 53.050 0.008 0.000 0.918 237 N CB 1.822 40.294 38.487 -0.024 0.000 1.215 237 N HN 0.564 nan 8.380 nan 0.000 0.500 238 c N 1.117 119.750 118.600 0.056 0.000 2.656 238 c HA 0.013 4.582 4.570 -0.001 0.000 0.391 238 c C 2.232 176.331 174.090 0.015 0.000 1.300 238 c CA -0.211 56.146 56.329 0.045 0.000 2.302 238 c CB 0.228 42.790 42.510 0.086 0.000 2.655 238 c HN 0.776 nan 8.230 nan 0.000 0.656 239 E N 0.475 120.682 120.200 0.012 0.000 2.204 239 E HA -0.136 4.213 4.350 -0.001 0.000 0.194 239 E C 0.132 176.735 176.600 0.005 0.000 0.989 239 E CA 1.414 57.819 56.400 0.009 0.000 0.824 239 E CB -0.224 29.488 29.700 0.021 0.000 0.756 239 E HN 0.528 nan 8.360 nan 0.000 0.477 240 D N 0.561 120.966 120.400 0.007 0.000 2.713 240 D HA 0.196 4.836 4.640 -0.001 0.000 0.229 240 D C 0.987 177.279 176.300 -0.012 0.000 1.136 240 D CA 0.649 54.650 54.000 0.001 0.000 1.010 240 D CB 0.135 40.939 40.800 0.007 0.000 1.084 240 D HN 0.366 nan 8.370 nan 0.000 0.495 241 G N 1.757 110.545 108.800 -0.019 0.000 2.771 241 G HA2 -0.400 3.560 3.960 -0.001 0.000 0.239 241 G HA3 -0.400 3.560 3.960 -0.001 0.000 0.239 241 G C 0.881 175.743 174.900 -0.062 0.000 1.087 241 G CA 1.074 46.152 45.100 -0.037 0.000 0.712 241 G HN 0.486 nan 8.290 nan 0.000 0.541 242 T N 0.818 115.330 114.554 -0.070 0.000 2.872 242 T HA 0.330 4.680 4.350 -0.001 0.000 0.292 242 T C 0.112 174.700 174.700 -0.186 0.000 1.036 242 T CA 0.710 62.720 62.100 -0.149 0.000 1.136 242 T CB 1.709 70.531 68.868 -0.077 0.000 1.052 242 T HN 0.987 nan 8.240 nan 0.000 0.512 243 V N 3.451 123.146 119.914 -0.366 0.000 2.760 243 V HA 0.614 4.734 4.120 -0.001 0.000 0.309 243 V C -1.137 174.681 176.094 -0.459 0.000 1.077 243 V CA -0.992 61.147 62.300 -0.268 0.000 0.910 243 V CB 1.778 33.508 31.823 -0.155 0.000 1.008 243 V HN 0.878 nan 8.190 nan 0.000 0.424 244 Y N 2.539 122.806 120.300 -0.055 0.000 2.609 244 Y HA 0.680 5.230 4.550 -0.001 0.000 0.342 244 Y C -0.000 175.861 175.900 -0.065 0.000 1.058 244 Y CA -1.094 56.970 58.100 -0.060 0.000 1.055 244 Y CB 2.300 40.717 38.460 -0.071 0.000 1.292 244 Y HN 0.713 nan 8.280 nan 0.000 0.476 245 N N 0.880 119.648 118.700 0.114 0.000 2.478 245 N HA 0.732 5.471 4.740 -0.001 0.000 0.291 245 N C -1.757 173.755 175.510 0.004 0.000 1.090 245 N CA -0.540 52.526 53.050 0.027 0.000 0.911 245 N CB 2.078 40.563 38.487 -0.003 0.000 1.546 245 N HN 0.788 nan 8.380 nan 0.000 0.500 246 A N 1.042 123.842 122.820 -0.033 0.000 2.435 246 A HA 0.534 4.853 4.320 -0.001 0.000 0.296 246 A C 0.174 177.704 177.584 -0.089 0.000 1.147 246 A CA -0.606 51.398 52.037 -0.055 0.000 0.775 246 A CB 1.237 20.193 19.000 -0.074 0.000 1.340 246 A HN 0.603 nan 8.150 nan 0.000 0.427 247 D N -0.945 119.408 120.400 -0.080 0.000 2.123 247 D HA 0.046 4.685 4.640 -0.001 0.000 0.200 247 D C -0.513 175.517 176.300 -0.450 0.000 0.976 247 D CA 2.055 55.935 54.000 -0.199 0.000 0.831 247 D CB 0.023 40.812 40.800 -0.019 0.000 0.974 247 D HN 0.497 nan 8.370 nan 0.000 0.469 248 Y N -1.072 119.177 120.300 -0.085 0.000 2.581 248 Y HA 0.388 4.937 4.550 -0.001 0.000 0.345 248 Y C -0.279 175.549 175.900 -0.121 0.000 1.036 248 Y CA -1.337 56.706 58.100 -0.094 0.000 1.042 248 Y CB 2.257 40.661 38.460 -0.094 0.000 1.289 248 Y HN -0.324 nan 8.280 nan 0.000 0.471 249 V N 0.267 120.202 119.914 0.035 0.000 2.686 249 V HA 0.654 4.773 4.120 -0.001 0.000 0.306 249 V C -1.086 174.956 176.094 -0.087 0.000 1.065 249 V CA -0.998 61.268 62.300 -0.057 0.000 0.894 249 V CB 1.757 33.529 31.823 -0.085 0.000 1.004 249 V HN 0.682 nan 8.190 nan 0.000 0.424 250 I N 5.396 125.905 120.570 -0.102 0.000 2.359 250 I HA 0.471 4.641 4.170 -0.001 0.000 0.284 250 I C -0.492 175.570 176.117 -0.091 0.000 1.018 250 I CA -0.383 60.850 61.300 -0.110 0.000 1.173 250 I CB 1.529 39.476 38.000 -0.089 0.000 1.326 250 I HN 0.546 nan 8.210 nan 0.000 0.462 251 I N 5.744 126.240 120.570 -0.123 0.000 2.337 251 I HA 0.099 4.268 4.170 -0.001 0.000 0.291 251 I C 1.250 177.461 176.117 0.156 0.000 1.046 251 I CA 0.169 61.479 61.300 0.016 0.000 1.324 251 I CB 1.144 39.172 38.000 0.046 0.000 1.409 251 I HN 0.623 nan 8.210 nan 0.000 0.494 252 T N 2.705 117.345 114.554 0.144 0.000 3.132 252 T HA 0.201 4.551 4.350 -0.001 0.000 0.274 252 T C 0.314 175.149 174.700 0.226 0.000 1.011 252 T CA -0.405 61.803 62.100 0.180 0.000 0.899 252 T CB -0.381 68.549 68.868 0.104 0.000 1.089 252 T HN 0.334 nan 8.240 nan 0.000 0.543 253 V N -0.239 119.812 119.914 0.227 0.000 2.843 253 V HA 0.465 4.584 4.120 -0.001 0.000 0.305 253 V C -2.575 173.629 176.094 0.183 0.000 1.065 253 V CA -2.118 60.294 62.300 0.188 0.000 1.116 253 V CB -0.186 31.737 31.823 0.166 0.000 0.968 253 V HN 0.051 nan 8.190 nan 0.000 0.487 254 P HA -0.011 nan 4.420 nan 0.000 0.266 254 P C 0.740 177.848 177.300 -0.320 0.000 1.186 254 P CA 0.366 63.437 63.100 -0.048 0.000 0.767 254 P CB 0.320 32.014 31.700 -0.010 0.000 0.820 255 Q N 2.326 121.723 119.800 -0.672 0.000 2.152 255 Q HA -0.245 4.094 4.340 -0.001 0.000 0.206 255 Q C 1.728 177.502 176.000 -0.376 0.000 0.985 255 Q CA 2.510 57.956 55.803 -0.594 0.000 0.863 255 Q CB -0.324 28.157 28.738 -0.427 0.000 0.904 255 Q HN 0.595 nan 8.270 nan 0.000 0.422 256 S N -0.961 114.237 115.700 -0.837 0.000 2.383 256 S HA -0.102 4.367 4.470 -0.001 0.000 0.227 256 S C 1.940 176.333 174.600 -0.344 0.000 1.026 256 S CA 1.256 59.038 58.200 -0.698 0.000 0.981 256 S CB -0.556 62.015 63.200 -1.049 0.000 0.818 256 S HN 0.260 nan 8.310 nan 0.000 0.472 257 V N 1.687 121.453 119.914 -0.248 0.000 2.379 257 V HA -0.030 4.090 4.120 -0.001 0.000 0.245 257 V C 2.472 178.533 176.094 -0.054 0.000 1.044 257 V CA 1.522 63.764 62.300 -0.097 0.000 1.036 257 V CB -0.865 30.962 31.823 0.007 0.000 0.664 257 V HN 0.449 nan 8.190 nan 0.000 0.453 258 L N 1.188 122.405 121.223 -0.010 0.000 2.131 258 L HA -0.157 4.182 4.340 -0.001 0.000 0.210 258 L C 2.146 178.928 176.870 -0.148 0.000 1.092 258 L CA 2.036 56.932 54.840 0.094 0.000 0.759 258 L CB -1.062 41.145 42.059 0.247 0.000 0.903 258 L HN 0.401 nan 8.230 nan 0.000 0.435 259 N N -0.323 118.148 118.700 -0.382 0.000 2.205 259 N HA -0.210 4.530 4.740 -0.001 0.000 0.186 259 N C 1.740 176.921 175.510 -0.548 0.000 1.015 259 N CA 1.526 53.996 53.050 -0.967 0.000 0.862 259 N CB -0.325 37.783 38.487 -0.632 0.000 0.986 259 N HN 0.495 nan 8.380 nan 0.000 0.429 260 L N -0.428 120.628 121.223 -0.278 0.000 2.261 260 L HA -0.121 4.219 4.340 -0.001 0.000 0.216 260 L C 2.113 178.914 176.870 -0.116 0.000 1.114 260 L CA 0.721 55.463 54.840 -0.163 0.000 0.777 260 L CB -0.435 41.568 42.059 -0.093 0.000 0.910 260 L HN 0.140 nan 8.230 nan 0.000 0.440 261 S N 0.083 115.729 115.700 -0.090 0.000 2.382 261 S HA -0.138 4.331 4.470 -0.001 0.000 0.228 261 S C 1.869 176.449 174.600 -0.034 0.000 1.027 261 S CA 1.489 59.707 58.200 0.029 0.000 0.991 261 S CB -0.287 63.045 63.200 0.220 0.000 0.823 261 S HN 0.479 nan 8.310 nan 0.000 0.469 262 V N -0.737 119.077 119.914 -0.167 0.000 3.510 262 V HA 0.163 4.282 4.120 -0.001 0.000 0.270 262 V C 0.262 176.297 176.094 -0.098 0.000 1.201 262 V CA 0.384 62.603 62.300 -0.134 0.000 1.166 262 V CB -0.710 30.989 31.823 -0.207 0.000 0.825 262 V HN 0.178 nan 8.190 nan 0.000 0.484 263 Q N 1.825 121.568 119.800 -0.096 0.000 2.266 263 Q HA 0.548 4.888 4.340 -0.001 0.000 0.261 263 Q C -2.679 173.300 176.000 -0.035 0.000 0.985 263 Q CA -2.008 53.756 55.803 -0.065 0.000 0.873 263 Q CB 2.122 30.813 28.738 -0.077 0.000 1.306 263 Q HN 0.281 nan 8.270 nan 0.000 0.447 264 P HA 0.280 nan 4.420 nan 0.000 0.293 264 P C -1.034 176.257 177.300 -0.014 0.000 1.313 264 P CA -0.118 62.975 63.100 -0.012 0.000 0.787 264 P CB 1.065 32.760 31.700 -0.008 0.000 0.910 265 E N 2.816 123.009 120.200 -0.011 0.000 4.743 265 E HA -0.020 4.329 4.350 -0.001 0.000 0.370 265 E C -0.291 176.302 176.600 -0.011 0.000 1.110 265 E CA -0.073 56.319 56.400 -0.012 0.000 0.723 265 E CB -0.061 29.628 29.700 -0.017 0.000 1.108 265 E HN 0.393 nan 8.360 nan 0.000 0.623 266 K N 1.132 121.527 120.400 -0.008 0.000 2.361 266 K HA 0.168 4.488 4.320 -0.001 0.000 0.196 266 K C 0.891 177.487 176.600 -0.007 0.000 1.039 266 K CA -0.003 56.280 56.287 -0.007 0.000 1.001 266 K CB 0.298 32.794 32.500 -0.006 0.000 0.795 266 K HN 0.083 nan 8.250 nan 0.000 0.495 267 N N 1.747 120.442 118.700 -0.008 0.000 3.259 267 N HA 0.105 4.844 4.740 -0.001 0.000 0.308 267 N C -1.219 174.283 175.510 -0.013 0.000 1.334 267 N CA 0.325 53.370 53.050 -0.008 0.000 1.202 267 N CB 0.047 38.530 38.487 -0.008 0.000 1.485 267 N HN 0.104 nan 8.380 nan 0.000 0.549 268 L N 1.549 122.764 121.223 -0.014 0.000 2.343 268 L HA 0.424 4.764 4.340 -0.001 0.000 0.278 268 L C 0.319 177.177 176.870 -0.020 0.000 0.996 268 L CA -0.889 53.934 54.840 -0.028 0.000 0.831 268 L CB 1.945 43.983 42.059 -0.035 0.000 1.232 268 L HN -0.070 nan 8.230 nan 0.000 0.413 269 R N 2.307 122.780 120.500 -0.046 0.000 2.488 269 R HA 0.195 4.534 4.340 -0.001 0.000 0.317 269 R C 1.181 177.462 176.300 -0.033 0.000 0.941 269 R CA 1.183 57.255 56.100 -0.047 0.000 1.076 269 R CB -0.036 30.151 30.300 -0.189 0.000 0.917 269 R HN 0.985 nan 8.270 nan 0.000 0.407 270 G N 2.283 111.205 108.800 0.204 0.000 2.279 270 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.223 270 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.223 270 G C 0.294 175.271 174.900 0.128 0.000 1.015 270 G CA 0.038 45.307 45.100 0.283 0.000 0.621 270 G HN 0.611 nan 8.290 nan 0.000 0.506 271 R N 1.031 121.565 120.500 0.057 0.000 2.570 271 R HA 0.477 4.816 4.340 -0.001 0.000 0.277 271 R C -0.117 176.193 176.300 0.017 0.000 1.039 271 R CA 0.115 56.233 56.100 0.030 0.000 1.065 271 R CB -0.001 30.301 30.300 0.003 0.000 0.964 271 R HN 0.334 nan 8.270 nan 0.000 0.428 272 I N 3.060 123.635 120.570 0.009 0.000 2.404 272 I HA 0.157 4.327 4.170 -0.001 0.000 0.293 272 I C -0.366 175.683 176.117 -0.114 0.000 0.992 272 I CA -0.872 60.361 61.300 -0.112 0.000 1.149 272 I CB 1.920 39.763 38.000 -0.260 0.000 1.315 272 I HN 0.613 nan 8.210 nan 0.000 0.446 273 E N 6.031 126.144 120.200 -0.146 0.000 2.152 273 E HA 0.311 4.660 4.350 -0.001 0.000 0.285 273 E C -1.568 174.948 176.600 -0.140 0.000 1.043 273 E CA -0.016 56.346 56.400 -0.063 0.000 0.839 273 E CB 0.418 30.093 29.700 -0.043 0.000 1.069 273 E HN 0.232 nan 8.360 nan 0.000 0.399 274 F N 3.452 123.417 119.950 0.025 0.000 2.404 274 F HA 0.388 4.914 4.527 -0.001 0.000 0.339 274 F C 0.334 176.148 175.800 0.022 0.000 1.105 274 F CA -0.339 57.681 58.000 0.033 0.000 1.087 274 F CB 1.462 40.499 39.000 0.063 0.000 1.143 274 F HN 0.279 nan 8.300 nan 0.000 0.491 275 Q N 5.183 125.097 119.800 0.189 0.000 2.350 275 Q HA 0.280 4.620 4.340 -0.001 0.000 0.255 275 Q C -2.617 173.443 176.000 0.099 0.000 0.951 275 Q CA -2.056 53.813 55.803 0.111 0.000 0.751 275 Q CB 2.304 31.072 28.738 0.050 0.000 1.296 275 Q HN 0.283 nan 8.270 nan 0.000 0.453 276 P HA 0.180 nan 4.420 nan 0.000 0.272 276 P C -2.452 174.926 177.300 0.130 0.000 1.240 276 P CA -1.058 62.094 63.100 0.087 0.000 0.791 276 P CB 0.086 31.821 31.700 0.057 0.000 0.978 277 P HA 0.083 nan 4.420 nan 0.000 0.270 277 P C 0.120 177.447 177.300 0.045 0.000 1.223 277 P CA -0.013 63.156 63.100 0.114 0.000 0.785 277 P CB 0.487 32.231 31.700 0.074 0.000 0.923 278 L N 1.479 122.680 121.223 -0.036 0.000 2.578 278 L HA -0.029 4.310 4.340 -0.001 0.000 0.279 278 L C 1.441 178.286 176.870 -0.040 0.000 1.227 278 L CA 0.336 55.101 54.840 -0.126 0.000 0.900 278 L CB -0.577 41.353 42.059 -0.215 0.000 1.144 278 L HN 0.328 nan 8.230 nan 0.000 0.496 279 K N 5.155 125.537 120.400 -0.029 0.000 2.494 279 K HA -0.038 4.281 4.320 -0.001 0.000 0.273 279 K C -1.290 175.302 176.600 -0.013 0.000 0.970 279 K CA -0.983 55.297 56.287 -0.011 0.000 0.963 279 K CB 0.106 32.602 32.500 -0.007 0.000 0.913 279 K HN 0.418 nan 8.250 nan 0.000 0.502 280 P HA -0.180 nan 4.420 nan 0.000 0.217 280 P C 1.266 178.560 177.300 -0.011 0.000 1.148 280 P CA 1.119 64.218 63.100 -0.000 0.000 0.828 280 P CB 0.075 31.776 31.700 0.002 0.000 0.783 281 V N -0.211 119.688 119.914 -0.025 0.000 2.594 281 V HA -0.199 3.920 4.120 -0.001 0.000 0.253 281 V C 2.592 178.637 176.094 -0.082 0.000 1.069 281 V CA 1.439 63.711 62.300 -0.046 0.000 1.082 281 V CB -0.844 30.952 31.823 -0.045 0.000 0.680 281 V HN 0.044 nan 8.190 nan 0.000 0.469 282 I N -0.968 119.552 120.570 -0.084 0.000 2.296 282 I HA -0.168 4.001 4.170 -0.001 0.000 0.242 282 I C 2.641 178.753 176.117 -0.010 0.000 1.087 282 I CA 0.973 62.190 61.300 -0.139 0.000 1.393 282 I CB -0.431 37.470 38.000 -0.165 0.000 1.093 282 I HN 0.289 nan 8.210 nan 0.000 0.421 283 Q N 0.938 120.793 119.800 0.092 0.000 2.014 283 Q HA -0.270 4.069 4.340 -0.001 0.000 0.207 283 Q C 1.755 177.877 176.000 0.203 0.000 0.993 283 Q CA 1.942 57.870 55.803 0.208 0.000 0.850 283 Q CB -0.375 28.408 28.738 0.076 0.000 0.916 283 Q HN 0.478 nan 8.270 nan 0.000 0.417 284 D N 0.398 120.838 120.400 0.067 0.000 2.218 284 D HA -0.104 4.535 4.640 -0.001 0.000 0.204 284 D C 1.670 177.964 176.300 -0.010 0.000 0.976 284 D CA 1.165 55.185 54.000 0.034 0.000 0.853 284 D CB -0.231 40.572 40.800 0.006 0.000 0.939 284 D HN 0.295 nan 8.370 nan 0.000 0.481 285 A N -0.044 122.718 122.820 -0.097 0.000 2.019 285 A HA -0.131 4.189 4.320 -0.001 0.000 0.219 285 A C 1.806 179.220 177.584 -0.282 0.000 1.164 285 A CA 0.650 52.556 52.037 -0.219 0.000 0.644 285 A CB -0.941 17.858 19.000 -0.336 0.000 0.805 285 A HN 0.184 nan 8.150 nan 0.000 0.449 286 F N 0.441 120.304 119.950 -0.146 0.000 2.451 286 F HA -0.109 4.418 4.527 -0.001 0.000 0.299 286 F C 1.460 177.129 175.800 -0.219 0.000 1.101 286 F CA 1.119 59.004 58.000 -0.192 0.000 1.436 286 F CB 0.058 38.966 39.000 -0.153 0.000 1.074 286 F HN 0.225 nan 8.300 nan 0.000 0.553 287 D N -0.466 119.947 120.400 0.021 0.000 2.347 287 D HA -0.029 4.611 4.640 -0.001 0.000 0.213 287 D C 1.543 177.843 176.300 -0.001 0.000 0.985 287 D CA 0.647 54.671 54.000 0.039 0.000 0.879 287 D CB -0.018 40.824 40.800 0.069 0.000 0.919 287 D HN 0.180 nan 8.370 nan 0.000 0.526 288 K N 0.304 120.641 120.400 -0.106 0.000 2.455 288 K HA 0.328 4.648 4.320 -0.001 0.000 0.206 288 K C 0.239 176.737 176.600 -0.171 0.000 1.027 288 K CA -0.219 56.018 56.287 -0.083 0.000 1.113 288 K CB 1.732 34.195 32.500 -0.061 0.000 0.850 288 K HN 0.182 nan 8.250 nan 0.000 0.503 289 I N -0.333 119.984 120.570 -0.421 0.000 2.828 289 I HA 0.233 4.402 4.170 -0.001 0.000 0.295 289 I C -1.169 174.436 176.117 -0.853 0.000 1.459 289 I CA -0.578 60.474 61.300 -0.413 0.000 1.015 289 I CB 1.791 39.644 38.000 -0.244 0.000 1.345 289 I HN 0.073 nan 8.210 nan 0.000 0.449 290 H N 4.301 123.197 119.070 -0.290 0.000 3.747 290 H HA 0.515 5.070 4.556 -0.001 0.000 0.343 290 H C -1.718 173.596 175.328 -0.024 0.000 1.692 290 H CA -0.420 55.413 56.048 -0.358 0.000 1.262 290 H CB 1.724 30.737 29.762 -1.247 0.000 1.557 290 H HN 0.382 nan 8.280 nan 0.000 0.722 291 F N 0.674 120.565 119.950 -0.097 0.000 2.536 291 F HA 0.448 4.974 4.527 -0.001 0.000 0.322 291 F C 0.506 176.326 175.800 0.032 0.000 1.144 291 F CA -0.428 57.554 58.000 -0.029 0.000 0.924 291 F CB 1.581 40.572 39.000 -0.016 0.000 1.181 291 F HN 0.558 nan 8.300 nan 0.000 0.438 292 G N 1.786 110.433 108.800 -0.256 0.000 2.557 292 G HA2 0.546 4.506 3.960 -0.001 0.000 0.292 292 G HA3 0.546 4.506 3.960 -0.001 0.000 0.292 292 G C -1.031 173.702 174.900 -0.279 0.000 1.237 292 G CA -0.315 44.673 45.100 -0.187 0.000 0.978 292 G HN 0.933 nan 8.290 nan 0.000 0.498 293 A N 0.172 122.888 122.820 -0.174 0.000 3.297 293 A HA 0.489 4.808 4.320 -0.001 0.000 0.304 293 A C -0.285 177.236 177.584 -0.104 0.000 0.963 293 A CA -0.467 51.502 52.037 -0.113 0.000 0.935 293 A CB 0.048 19.063 19.000 0.024 0.000 1.093 293 A HN 0.640 nan 8.150 nan 0.000 0.480 294 L N 1.470 122.546 121.223 -0.245 0.000 2.455 294 L HA 0.563 4.902 4.340 -0.001 0.000 0.272 294 L C 0.572 177.461 176.870 0.032 0.000 1.174 294 L CA 0.926 55.708 54.840 -0.096 0.000 0.869 294 L CB 0.719 42.704 42.059 -0.123 0.000 1.130 294 L HN 0.454 nan 8.230 nan 0.000 0.474 295 G N 4.318 113.173 108.800 0.092 0.000 2.605 295 G HA2 0.607 4.567 3.960 -0.001 0.000 0.296 295 G HA3 0.607 4.567 3.960 -0.001 0.000 0.296 295 G C -1.441 173.518 174.900 0.099 0.000 1.304 295 G CA -0.774 44.406 45.100 0.133 0.000 0.941 295 G HN 0.545 nan 8.290 nan 0.000 0.475 296 K N -0.474 119.966 120.400 0.066 0.000 2.375 296 K HA 0.674 4.993 4.320 -0.001 0.000 0.249 296 K C -1.489 175.028 176.600 -0.139 0.000 0.942 296 K CA -0.816 55.463 56.287 -0.013 0.000 0.806 296 K CB 3.074 35.596 32.500 0.038 0.000 1.227 296 K HN 0.237 nan 8.250 nan 0.000 0.430 297 V N 3.700 123.463 119.914 -0.252 0.000 2.569 297 V HA 0.339 4.459 4.120 -0.001 0.000 0.301 297 V C -0.773 174.994 176.094 -0.545 0.000 1.044 297 V CA -0.913 61.101 62.300 -0.476 0.000 0.874 297 V CB 1.641 33.041 31.823 -0.705 0.000 1.002 297 V HN 0.616 nan 8.190 nan 0.000 0.424 298 I N 4.943 125.170 120.570 -0.573 0.000 2.321 298 I HA 0.454 4.624 4.170 -0.001 0.000 0.291 298 I C -0.591 175.162 176.117 -0.607 0.000 0.998 298 I CA -0.308 60.687 61.300 -0.507 0.000 1.227 298 I CB 0.945 38.563 38.000 -0.636 0.000 1.368 298 I HN 0.410 nan 8.210 nan 0.000 0.466 299 F N 4.549 124.373 119.950 -0.209 0.000 2.361 299 F HA 0.363 4.889 4.527 -0.001 0.000 0.364 299 F C 0.746 176.281 175.800 -0.440 0.000 1.117 299 F CA -0.603 57.204 58.000 -0.321 0.000 1.071 299 F CB 0.961 39.832 39.000 -0.214 0.000 1.188 299 F HN 0.389 nan 8.300 nan 0.000 0.464 300 E N 3.961 123.947 120.200 -0.356 0.000 2.134 300 E HA 0.414 4.764 4.350 -0.001 0.000 0.278 300 E C -1.052 175.273 176.600 -0.457 0.000 0.959 300 E CA -0.508 55.752 56.400 -0.233 0.000 0.783 300 E CB 1.400 31.055 29.700 -0.075 0.000 1.095 300 E HN 0.348 nan 8.360 nan 0.000 0.399 301 F N 0.889 120.872 119.950 0.056 0.000 2.497 301 F HA 0.171 4.698 4.527 -0.001 0.000 0.331 301 F C 1.688 177.507 175.800 0.033 0.000 1.060 301 F CA -0.765 57.255 58.000 0.033 0.000 0.989 301 F CB 1.063 40.161 39.000 0.163 0.000 1.245 301 F HN 0.420 nan 8.300 nan 0.000 0.486 302 E N 0.898 121.212 120.200 0.189 0.000 2.017 302 E HA -0.138 4.212 4.350 -0.001 0.000 0.193 302 E C -0.306 176.388 176.600 0.157 0.000 0.997 302 E CA 1.503 57.994 56.400 0.152 0.000 0.804 302 E CB 0.035 29.794 29.700 0.099 0.000 0.757 302 E HN 0.658 nan 8.360 nan 0.000 0.448 303 E N -1.762 118.492 120.200 0.090 0.000 2.367 303 E HA 0.397 4.746 4.350 -0.001 0.000 0.273 303 E C -1.122 175.323 176.600 -0.259 0.000 0.903 303 E CA -0.892 55.486 56.400 -0.036 0.000 0.764 303 E CB 1.170 30.840 29.700 -0.048 0.000 1.252 303 E HN 0.017 nan 8.360 nan 0.000 0.446 304 C N 2.113 121.163 119.300 -0.417 0.000 2.595 304 C HA 0.244 4.703 4.460 -0.001 0.000 0.374 304 C C 0.835 175.334 174.990 -0.819 0.000 1.250 304 C CA -0.729 57.721 59.018 -0.947 0.000 1.595 304 C CB -1.906 25.458 27.740 -0.626 0.000 2.257 304 C HN 0.717 nan 8.230 nan 0.000 0.568 305 C N 2.292 121.043 119.300 -0.916 0.000 3.114 305 C HA 0.683 5.143 4.460 -0.001 0.000 0.215 305 C C -0.604 174.279 174.990 -0.179 0.000 1.759 305 C CA -0.806 57.972 59.018 -0.400 0.000 1.455 305 C CB -1.893 25.738 27.740 -0.181 0.000 2.528 305 C HN 0.963 nan 8.230 nan 0.000 0.511 306 W N -0.773 120.491 121.300 -0.060 0.000 3.075 306 W HA 0.724 5.384 4.660 0.000 0.000 0.334 306 W C -0.469 176.041 176.519 -0.014 0.000 1.243 306 W CA -1.253 56.065 57.345 -0.045 0.000 1.170 306 W CB 0.228 29.659 29.460 -0.049 0.000 1.452 306 W HN 0.131 nan 8.180 nan 0.000 0.572 307 S N 1.491 117.363 115.700 0.287 0.000 2.537 307 S HA 0.096 4.565 4.470 -0.001 0.000 0.286 307 S C 0.092 174.844 174.600 0.254 0.000 1.299 307 S CA -0.026 58.281 58.200 0.177 0.000 1.067 307 S CB -0.085 63.181 63.200 0.111 0.000 0.864 307 S HN 0.478 nan 8.310 nan 0.000 0.494 308 N N 3.993 122.782 118.700 0.148 0.000 2.558 308 N HA 0.083 4.822 4.740 -0.001 0.000 0.281 308 N C 1.002 176.556 175.510 0.073 0.000 1.219 308 N CA -0.098 53.040 53.050 0.146 0.000 0.942 308 N CB 0.549 39.094 38.487 0.096 0.000 1.241 308 N HN 0.818 nan 8.380 nan 0.000 0.511 309 E N -0.123 120.110 120.200 0.056 0.000 2.110 309 E HA -0.070 4.279 4.350 -0.001 0.000 0.193 309 E C -0.049 176.551 176.600 -0.001 0.000 0.988 309 E CA 0.646 57.058 56.400 0.019 0.000 0.804 309 E CB 0.357 30.063 29.700 0.010 0.000 0.745 309 E HN 0.115 nan 8.360 nan 0.000 0.458 310 S N -1.943 113.750 115.700 -0.012 0.000 2.579 310 S HA 0.230 4.700 4.470 -0.001 0.000 0.272 310 S C 0.095 174.654 174.600 -0.069 0.000 1.141 310 S CA -0.183 57.986 58.200 -0.051 0.000 0.843 310 S CB 1.694 64.838 63.200 -0.093 0.000 1.122 310 S HN 0.150 nan 8.310 nan 0.000 0.468 311 S N 1.423 117.069 115.700 -0.090 0.000 2.524 311 S HA 0.378 4.847 4.470 -0.001 0.000 0.215 311 S C -0.103 174.381 174.600 -0.194 0.000 0.986 311 S CA -0.238 57.900 58.200 -0.104 0.000 0.911 311 S CB -0.080 63.085 63.200 -0.058 0.000 0.805 311 S HN 0.465 nan 8.310 nan 0.000 0.501 312 K N 1.715 121.947 120.400 -0.280 0.000 2.394 312 K HA 0.585 4.905 4.320 -0.001 0.000 0.260 312 K C -1.257 175.069 176.600 -0.456 0.000 0.967 312 K CA -0.220 55.792 56.287 -0.459 0.000 0.855 312 K CB 1.647 33.558 32.500 -0.981 0.000 1.101 312 K HN 0.319 nan 8.250 nan 0.000 0.433 313 I N 2.015 122.431 120.570 -0.256 0.000 2.534 313 I HA 0.342 4.511 4.170 -0.001 0.000 0.288 313 I C -0.649 175.549 176.117 0.135 0.000 1.077 313 I CA -1.222 59.985 61.300 -0.155 0.000 1.051 313 I CB 2.318 40.172 38.000 -0.244 0.000 1.234 313 I HN 0.024 nan 8.210 nan 0.000 0.425 314 V N 3.730 123.723 119.914 0.131 0.000 2.487 314 V HA 0.440 4.559 4.120 -0.001 0.000 0.298 314 V C 0.071 176.368 176.094 0.339 0.000 1.028 314 V CA -0.580 61.935 62.300 0.358 0.000 0.860 314 V CB 2.188 34.265 31.823 0.423 0.000 0.991 314 V HN 0.842 nan 8.190 nan 0.000 0.427 315 T N 3.993 118.766 114.554 0.365 0.000 2.744 315 T HA 0.681 5.031 4.350 -0.001 0.000 0.291 315 T C -0.311 174.614 174.700 0.373 0.000 0.957 315 T CA -0.540 61.755 62.100 0.325 0.000 1.002 315 T CB 0.542 69.508 68.868 0.164 0.000 0.919 315 T HN 0.352 nan 8.240 nan 0.000 0.468 316 L N 2.734 124.205 121.223 0.414 0.000 2.417 316 L HA 0.561 4.901 4.340 -0.001 0.000 0.268 316 L C 1.182 178.285 176.870 0.389 0.000 1.158 316 L CA -1.024 54.023 54.840 0.345 0.000 0.819 316 L CB 0.393 42.635 42.059 0.304 0.000 1.112 316 L HN 0.879 nan 8.230 nan 0.000 0.458 317 A N 2.365 125.336 122.820 0.252 0.000 2.313 317 A HA 0.251 4.571 4.320 -0.001 0.000 0.261 317 A C 0.002 177.710 177.584 0.207 0.000 1.090 317 A CA -0.603 51.589 52.037 0.258 0.000 0.807 317 A CB 0.072 19.140 19.000 0.113 0.000 1.055 317 A HN 0.766 nan 8.150 nan 0.000 0.492 318 N N 0.651 119.458 118.700 0.178 0.000 2.454 318 N HA 0.241 4.980 4.740 -0.001 0.000 0.254 318 N C 0.241 175.760 175.510 0.014 0.000 1.228 318 N CA 0.720 53.804 53.050 0.058 0.000 0.900 318 N CB 0.583 39.078 38.487 0.013 0.000 1.089 318 N HN 0.747 nan 8.380 nan 0.000 0.449 319 S N -0.677 115.007 115.700 -0.026 0.000 2.715 319 S HA 0.832 5.301 4.470 -0.001 0.000 0.307 319 S C -0.239 174.310 174.600 -0.085 0.000 1.119 319 S CA -0.832 57.301 58.200 -0.111 0.000 0.937 319 S CB 1.793 64.841 63.200 -0.253 0.000 1.150 319 S HN 0.572 nan 8.310 nan 0.000 0.521 320 T N -1.453 113.068 114.554 -0.055 0.000 2.916 320 T HA 0.473 4.822 4.350 -0.001 0.000 0.305 320 T C 0.120 174.840 174.700 0.034 0.000 1.119 320 T CA -0.926 61.173 62.100 -0.001 0.000 1.008 320 T CB 1.292 70.183 68.868 0.039 0.000 1.129 320 T HN 0.408 nan 8.240 nan 0.000 0.480 321 N N 1.206 119.911 118.700 0.008 0.000 2.223 321 N HA -0.098 4.641 4.740 -0.001 0.000 0.185 321 N C 1.532 177.056 175.510 0.025 0.000 1.016 321 N CA 1.282 54.337 53.050 0.008 0.000 0.863 321 N CB -0.082 38.405 38.487 -0.001 0.000 0.983 321 N HN 0.784 nan 8.380 nan 0.000 0.429 322 E N 0.177 120.402 120.200 0.040 0.000 2.085 322 E HA -0.199 4.150 4.350 -0.001 0.000 0.194 322 E C 1.662 178.293 176.600 0.052 0.000 0.994 322 E CA 0.816 57.237 56.400 0.037 0.000 0.801 322 E CB -0.312 29.416 29.700 0.046 0.000 0.743 322 E HN 0.339 nan 8.360 nan 0.000 0.453 323 F N 1.712 121.646 119.950 -0.027 0.000 2.095 323 F HA -0.244 4.283 4.527 -0.001 0.000 0.298 323 F C 2.097 177.877 175.800 -0.035 0.000 1.104 323 F CA 1.200 59.190 58.000 -0.017 0.000 1.232 323 F CB -0.367 38.631 39.000 -0.003 0.000 0.987 323 F HN -0.213 nan 8.300 nan 0.000 0.475 324 V N 0.921 120.744 119.914 -0.152 0.000 2.287 324 V HA -0.344 3.776 4.120 -0.001 0.000 0.248 324 V C 2.296 178.238 176.094 -0.254 0.000 1.053 324 V CA 2.438 64.589 62.300 -0.249 0.000 1.027 324 V CB -0.925 30.849 31.823 -0.081 0.000 0.646 324 V HN 0.394 nan 8.190 nan 0.000 0.447 325 E N -0.030 120.077 120.200 -0.156 0.000 2.058 325 E HA -0.215 4.135 4.350 -0.001 0.000 0.194 325 E C 2.165 178.667 176.600 -0.164 0.000 0.997 325 E CA 1.652 57.975 56.400 -0.128 0.000 0.801 325 E CB -0.261 29.394 29.700 -0.075 0.000 0.746 325 E HN 0.548 nan 8.360 nan 0.000 0.450 326 I N 0.793 121.249 120.570 -0.191 0.000 2.361 326 I HA -0.234 3.936 4.170 -0.001 0.000 0.251 326 I C 2.188 178.148 176.117 -0.263 0.000 1.133 326 I CA 0.759 61.945 61.300 -0.189 0.000 1.413 326 I CB -0.135 37.776 38.000 -0.149 0.000 1.073 326 I HN 0.030 nan 8.210 nan 0.000 0.424 327 V N 0.502 120.170 119.914 -0.409 0.000 2.407 327 V HA -0.152 3.968 4.120 -0.001 0.000 0.245 327 V C 2.555 178.491 176.094 -0.262 0.000 1.041 327 V CA 1.357 63.420 62.300 -0.394 0.000 1.040 327 V CB -0.655 30.841 31.823 -0.545 0.000 0.671 327 V HN 0.340 nan 8.190 nan 0.000 0.455 328 R N 1.027 121.390 120.500 -0.228 0.000 2.096 328 R HA -0.065 4.274 4.340 -0.001 0.000 0.235 328 R C 1.804 178.017 176.300 -0.145 0.000 1.127 328 R CA 1.237 57.233 56.100 -0.173 0.000 0.968 328 R CB -0.782 29.433 30.300 -0.142 0.000 0.861 328 R HN 0.549 nan 8.270 nan 0.000 0.440 329 N N 0.473 119.092 118.700 -0.135 0.000 2.392 329 N HA 0.037 4.776 4.740 -0.001 0.000 0.177 329 N C 0.201 175.651 175.510 -0.100 0.000 1.066 329 N CA 0.280 53.267 53.050 -0.106 0.000 0.895 329 N CB 0.143 38.578 38.487 -0.087 0.000 0.988 329 N HN 0.054 nan 8.380 nan 0.000 0.457 330 A N 1.151 123.900 122.820 -0.118 0.000 2.491 330 A HA 0.090 4.409 4.320 -0.001 0.000 0.261 330 A C 0.845 178.373 177.584 -0.094 0.000 1.101 330 A CA -0.095 51.881 52.037 -0.101 0.000 0.772 330 A CB 0.141 19.072 19.000 -0.115 0.000 1.043 330 A HN 0.142 nan 8.150 nan 0.000 0.501 331 E N 0.995 121.151 120.200 -0.073 0.000 2.482 331 E HA 0.028 4.378 4.350 -0.001 0.000 0.196 331 E C 0.040 176.602 176.600 -0.064 0.000 1.047 331 E CA 1.022 57.381 56.400 -0.067 0.000 0.869 331 E CB -0.029 29.639 29.700 -0.053 0.000 0.836 331 E HN 0.940 nan 8.360 nan 0.000 0.520 332 N N -2.830 115.831 118.700 -0.065 0.000 3.717 332 N HA -0.052 4.687 4.740 -0.001 0.000 0.239 332 N C -0.211 175.265 175.510 -0.057 0.000 1.388 332 N CA -0.656 52.359 53.050 -0.058 0.000 0.828 332 N CB 0.066 38.528 38.487 -0.042 0.000 1.468 332 N HN -0.116 nan 8.380 nan 0.000 0.445 333 L N 0.108 121.301 121.223 -0.049 0.000 2.083 333 L HA 0.036 4.375 4.340 -0.001 0.000 0.209 333 L C 1.140 177.993 176.870 -0.028 0.000 1.083 333 L CA 1.960 56.773 54.840 -0.045 0.000 0.752 333 L CB -0.915 41.122 42.059 -0.035 0.000 0.899 333 L HN 0.658 nan 8.230 nan 0.000 0.433 334 D N -0.423 119.964 120.400 -0.020 0.000 2.087 334 D HA -0.271 4.368 4.640 -0.001 0.000 0.192 334 D C 1.961 178.254 176.300 -0.012 0.000 0.993 334 D CA 1.720 55.714 54.000 -0.011 0.000 0.828 334 D CB -0.017 40.777 40.800 -0.010 0.000 0.968 334 D HN 0.553 nan 8.370 nan 0.000 0.448 335 E N 0.172 120.359 120.200 -0.022 0.000 2.160 335 E HA -0.183 4.166 4.350 -0.001 0.000 0.195 335 E C 2.181 178.766 176.600 -0.025 0.000 0.991 335 E CA 0.394 56.779 56.400 -0.024 0.000 0.810 335 E CB -0.050 29.630 29.700 -0.034 0.000 0.742 335 E HN 0.038 nan 8.360 nan 0.000 0.466 336 L N 1.523 122.726 121.223 -0.033 0.000 2.046 336 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 336 L C 1.704 178.582 176.870 0.012 0.000 1.077 336 L CA 1.996 56.816 54.840 -0.033 0.000 0.747 336 L CB -0.497 41.526 42.059 -0.061 0.000 0.896 336 L HN 0.118 nan 8.230 nan 0.000 0.432 337 D N -1.059 119.355 120.400 0.024 0.000 2.117 337 D HA -0.134 4.505 4.640 -0.001 0.000 0.197 337 D C 2.105 178.428 176.300 0.039 0.000 0.987 337 D CA 1.467 55.502 54.000 0.058 0.000 0.829 337 D CB 0.190 41.022 40.800 0.053 0.000 0.961 337 D HN 0.390 nan 8.370 nan 0.000 0.460 338 S N 0.852 116.562 115.700 0.018 0.000 2.363 338 S HA -0.174 4.296 4.470 -0.001 0.000 0.218 338 S C 2.156 176.763 174.600 0.013 0.000 1.035 338 S CA 1.055 59.261 58.200 0.010 0.000 1.043 338 S CB -0.337 62.863 63.200 -0.000 0.000 0.986 338 S HN 0.251 nan 8.310 nan 0.000 0.423 339 M N 0.910 120.513 119.600 0.006 0.000 2.192 339 M HA -0.162 4.318 4.480 -0.001 0.000 0.259 339 M C 2.003 178.320 176.300 0.028 0.000 1.071 339 M CA 1.388 56.691 55.300 0.005 0.000 1.082 339 M CB -0.731 31.860 32.600 -0.015 0.000 1.373 339 M HN 0.248 nan 8.290 nan 0.000 0.408 340 L N -0.517 120.737 121.223 0.053 0.000 2.027 340 L HA -0.178 4.161 4.340 -0.001 0.000 0.206 340 L C 2.305 179.211 176.870 0.060 0.000 1.074 340 L CA 1.299 56.196 54.840 0.094 0.000 0.745 340 L CB -0.591 41.562 42.059 0.156 0.000 0.898 340 L HN 0.308 nan 8.230 nan 0.000 0.433 341 E N -0.162 120.060 120.200 0.036 0.000 2.333 341 E HA -0.108 4.242 4.350 -0.001 0.000 0.198 341 E C -0.138 176.471 176.600 0.015 0.000 1.007 341 E CA 0.123 56.532 56.400 0.015 0.000 0.845 341 E CB 0.241 29.944 29.700 0.005 0.000 0.766 341 E HN 0.247 nan 8.360 nan 0.000 0.507 350 S N 1.267 116.973 115.700 0.011 0.000 3.092 350 S HA -0.091 4.378 4.470 -0.001 0.000 0.857 350 S C -0.073 174.537 174.600 0.016 0.000 1.014 350 S CA -0.317 57.888 58.200 0.008 0.000 1.283 350 S CB -0.121 63.087 63.200 0.012 0.000 0.910 350 S HN 0.952 nan 8.310 nan 0.000 0.245 351 V N 6.013 125.933 119.914 0.009 0.000 2.508 351 V HA 0.551 4.671 4.120 -0.001 0.000 0.281 351 V C 1.146 177.298 176.094 0.098 0.000 1.041 351 V CA 0.702 63.028 62.300 0.042 0.000 1.016 351 V CB 0.723 32.546 31.823 0.001 0.000 0.984 351 V HN 1.035 nan 8.190 nan 0.000 0.478 352 T N 0.771 115.345 114.554 0.033 0.000 2.910 352 T HA 0.213 4.562 4.350 -0.001 0.000 0.287 352 T C 1.243 175.712 174.700 -0.385 0.000 1.050 352 T CA -0.112 61.856 62.100 -0.220 0.000 1.011 352 T CB 1.339 70.137 68.868 -0.117 0.000 1.195 352 T HN 0.805 nan 8.240 nan 0.000 0.540 353 C N -1.793 116.891 119.300 -1.026 0.000 2.421 353 C HA 0.124 4.584 4.460 -0.001 0.000 0.296 353 C C 1.454 176.170 174.990 -0.457 0.000 1.470 353 C CA -0.415 58.131 59.018 -0.788 0.000 1.779 353 C CB -2.236 24.925 27.740 -0.965 0.000 1.715 353 C HN 0.814 nan 8.230 nan 0.000 0.564 354 W N 0.681 121.916 121.300 -0.108 0.000 3.132 354 W HA 0.295 4.955 4.660 -0.001 0.000 0.364 354 W C 2.127 178.651 176.519 0.009 0.000 1.129 354 W CA -0.160 57.175 57.345 -0.016 0.000 1.815 354 W CB -0.091 29.348 29.460 -0.035 0.000 1.099 354 W HN 0.084 nan 8.180 nan 0.000 0.605 355 S N 0.616 116.417 115.700 0.168 0.000 2.562 355 S HA -0.017 4.452 4.470 -0.001 0.000 0.221 355 S C 0.637 175.308 174.600 0.118 0.000 0.975 355 S CA 0.517 58.798 58.200 0.135 0.000 0.918 355 S CB -0.171 63.091 63.200 0.103 0.000 0.772 355 S HN 0.238 nan 8.310 nan 0.000 0.531 356 Q N 0.057 119.933 119.800 0.127 0.000 2.522 356 Q HA 0.394 4.734 4.340 -0.001 0.000 0.285 356 Q C -3.575 172.498 176.000 0.121 0.000 0.982 356 Q CA -2.284 53.574 55.803 0.092 0.000 0.805 356 Q CB 0.670 29.468 28.738 0.100 0.000 1.457 356 Q HN -0.089 nan 8.270 nan 0.000 0.394 357 P HA 0.346 nan 4.420 nan 0.000 0.272 357 P C -0.643 176.781 177.300 0.207 0.000 1.223 357 P CA -0.188 63.014 63.100 0.170 0.000 0.784 357 P CB 0.863 32.651 31.700 0.145 0.000 0.923 358 L N 2.039 123.421 121.223 0.265 0.000 2.401 358 L HA 0.500 4.840 4.340 -0.001 0.000 0.266 358 L C -0.458 176.609 176.870 0.328 0.000 0.991 358 L CA -0.961 54.017 54.840 0.230 0.000 0.818 358 L CB 2.014 44.208 42.059 0.225 0.000 1.321 358 L HN 0.278 nan 8.230 nan 0.000 0.413 359 F N 3.078 123.032 119.950 0.006 0.000 2.402 359 F HA 0.610 5.137 4.527 -0.001 0.000 0.355 359 F C -1.266 174.470 175.800 -0.107 0.000 1.123 359 F CA -1.282 56.769 58.000 0.085 0.000 1.021 359 F CB 0.770 39.879 39.000 0.182 0.000 1.160 359 F HN 0.070 nan 8.300 nan 0.000 0.451 360 F N 5.317 125.109 119.950 -0.265 0.000 2.436 360 F HA 0.564 5.091 4.527 -0.001 0.000 0.340 360 F C -0.365 175.012 175.800 -0.705 0.000 1.113 360 F CA -1.123 56.587 58.000 -0.483 0.000 1.022 360 F CB 1.754 40.476 39.000 -0.463 0.000 1.128 360 F HN 0.093 nan 8.300 nan 0.000 0.466 361 V N 3.190 122.846 119.914 -0.429 0.000 2.333 361 V HA 0.172 4.291 4.120 -0.001 0.000 0.274 361 V C 0.082 176.043 176.094 -0.221 0.000 1.028 361 V CA -0.990 61.111 62.300 -0.331 0.000 0.851 361 V CB 1.120 32.829 31.823 -0.190 0.000 1.000 361 V HN 0.789 nan 8.190 nan 0.000 0.456 362 N N 4.891 123.430 118.700 -0.269 0.000 2.466 362 N HA 0.163 4.903 4.740 -0.001 0.000 0.263 362 N C 0.986 176.559 175.510 0.105 0.000 1.178 362 N CA -0.429 52.538 53.050 -0.138 0.000 0.983 362 N CB 0.505 38.895 38.487 -0.163 0.000 1.331 362 N HN 0.696 nan 8.380 nan 0.000 0.500 363 L N 2.076 123.435 121.223 0.225 0.000 2.353 363 L HA -0.141 4.198 4.340 -0.001 0.000 0.220 363 L C 2.526 179.523 176.870 0.211 0.000 1.133 363 L CA 0.403 55.337 54.840 0.157 0.000 0.798 363 L CB -0.399 41.797 42.059 0.230 0.000 0.922 363 L HN 0.554 nan 8.230 nan 0.000 0.445 364 S N 0.376 116.300 115.700 0.373 0.000 2.353 364 S HA -0.278 4.192 4.470 -0.001 0.000 0.222 364 S C 2.117 176.809 174.600 0.153 0.000 1.035 364 S CA 1.917 60.287 58.200 0.284 0.000 1.025 364 S CB -0.030 63.398 63.200 0.379 0.000 0.902 364 S HN 0.409 nan 8.310 nan 0.000 0.440 365 K N 0.352 120.847 120.400 0.158 0.000 2.025 365 K HA -0.080 4.239 4.320 -0.001 0.000 0.207 365 K C 2.345 178.976 176.600 0.052 0.000 1.049 365 K CA 1.756 58.094 56.287 0.085 0.000 0.933 365 K CB -0.394 32.151 32.500 0.074 0.000 0.714 365 K HN 0.560 nan 8.250 nan 0.000 0.438 366 S N -0.519 115.196 115.700 0.026 0.000 2.371 366 S HA -0.112 4.357 4.470 -0.001 0.000 0.224 366 S C 1.945 176.553 174.600 0.013 0.000 1.029 366 S CA 1.510 59.706 58.200 -0.008 0.000 0.978 366 S CB -0.343 62.780 63.200 -0.129 0.000 0.833 366 S HN 0.548 nan 8.310 nan 0.000 0.466 367 T N -3.881 110.684 114.554 0.020 0.000 3.043 367 T HA 0.542 4.892 4.350 -0.001 0.000 0.272 367 T C 1.379 176.112 174.700 0.056 0.000 0.990 367 T CA 0.668 62.797 62.100 0.049 0.000 0.897 367 T CB 0.256 69.162 68.868 0.064 0.000 1.111 367 T HN 1.217 nan 8.240 nan 0.000 0.529 368 G N 1.041 109.879 108.800 0.064 0.000 2.148 368 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.254 368 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.254 368 G C -0.048 174.895 174.900 0.071 0.000 0.981 368 G CA 0.060 45.192 45.100 0.053 0.000 0.670 368 G HN 0.804 nan 8.290 nan 0.000 0.528 369 V N 0.646 120.633 119.914 0.121 0.000 2.427 369 V HA 0.702 4.821 4.120 -0.001 0.000 0.286 369 V C 1.059 177.320 176.094 0.278 0.000 1.034 369 V CA -0.094 62.306 62.300 0.166 0.000 0.893 369 V CB 1.653 33.571 31.823 0.159 0.000 0.982 369 V HN 1.038 nan 8.190 nan 0.000 0.452 370 A N 4.048 127.028 122.820 0.267 0.000 3.004 370 A HA 0.480 4.800 4.320 -0.001 0.000 0.252 370 A C 0.589 178.551 177.584 0.629 0.000 1.802 370 A CA 0.132 52.399 52.037 0.383 0.000 1.424 370 A CB -0.673 18.442 19.000 0.192 0.000 1.005 370 A HN 0.707 nan 8.150 nan 0.000 0.631 371 S N -0.506 115.568 115.700 0.624 0.000 2.569 371 S HA 0.709 5.178 4.470 -0.001 0.000 0.280 371 S C -0.791 174.211 174.600 0.670 0.000 1.111 371 S CA -0.468 58.063 58.200 0.552 0.000 0.887 371 S CB 1.346 64.864 63.200 0.530 0.000 1.095 371 S HN 0.408 nan 8.310 nan 0.000 0.476 372 F N 1.995 122.151 119.950 0.343 0.000 2.458 372 F HA 0.479 5.006 4.527 -0.001 0.000 0.336 372 F C 0.123 176.041 175.800 0.195 0.000 1.114 372 F CA -0.936 57.220 58.000 0.259 0.000 0.987 372 F CB 1.504 40.698 39.000 0.322 0.000 1.130 372 F HN 0.235 nan 8.300 nan 0.000 0.458 373 M N 6.729 126.482 119.600 0.255 0.000 2.066 373 M HA 0.374 4.853 4.480 -0.001 0.000 0.340 373 M C -1.333 174.928 176.300 -0.065 0.000 1.053 373 M CA -0.314 55.034 55.300 0.081 0.000 0.983 373 M CB 1.169 33.825 32.600 0.093 0.000 1.520 373 M HN 0.662 nan 8.290 nan 0.000 0.428 374 M N 4.937 124.452 119.600 -0.142 0.000 2.336 374 M HA 0.462 4.941 4.480 -0.001 0.000 0.342 374 M C -1.971 174.182 176.300 -0.245 0.000 1.128 374 M CA -0.836 54.209 55.300 -0.425 0.000 1.016 374 M CB 1.406 33.607 32.600 -0.665 0.000 1.665 374 M HN 0.643 nan 8.290 nan 0.000 0.445 375 L N 5.819 126.947 121.223 -0.159 0.000 2.325 375 L HA 0.643 4.982 4.340 -0.001 0.000 0.278 375 L C -0.180 176.733 176.870 0.072 0.000 1.023 375 L CA -0.142 54.737 54.840 0.064 0.000 0.811 375 L CB 1.885 44.128 42.059 0.306 0.000 1.249 375 L HN 0.782 nan 8.230 nan 0.000 0.431 376 M N 1.578 121.235 119.600 0.095 0.000 2.691 376 M HA 0.751 5.231 4.480 -0.001 0.000 0.293 376 M C -1.198 175.170 176.300 0.115 0.000 1.259 376 M CA -0.821 54.550 55.300 0.119 0.000 0.827 376 M CB 2.397 35.072 32.600 0.126 0.000 1.753 376 M HN 0.529 nan 8.290 nan 0.000 0.465 377 Q N 1.449 121.318 119.800 0.115 0.000 2.552 377 Q HA 0.826 5.166 4.340 -0.001 0.000 0.289 377 Q C -1.442 174.608 176.000 0.083 0.000 1.097 377 Q CA -0.838 55.019 55.803 0.091 0.000 0.812 377 Q CB 1.853 30.656 28.738 0.107 0.000 1.460 377 Q HN 0.934 nan 8.270 nan 0.000 0.452 378 A N 1.619 124.480 122.820 0.068 0.000 2.388 378 A HA 0.440 4.759 4.320 -0.001 0.000 0.257 378 A C -1.694 175.930 177.584 0.068 0.000 1.095 378 A CA -1.061 51.016 52.037 0.066 0.000 0.791 378 A CB 0.004 19.044 19.000 0.066 0.000 1.029 378 A HN 0.714 nan 8.150 nan 0.000 0.489 379 P HA -0.036 nan 4.420 nan 0.000 0.240 379 P C 1.315 178.656 177.300 0.068 0.000 1.190 379 P CA 0.146 63.279 63.100 0.054 0.000 0.781 379 P CB 0.152 31.873 31.700 0.035 0.000 0.931 380 L N 1.066 122.334 121.223 0.075 0.000 2.043 380 L HA -0.134 4.205 4.340 -0.001 0.000 0.212 380 L C 2.164 179.088 176.870 0.089 0.000 1.075 380 L CA 2.325 57.213 54.840 0.080 0.000 0.752 380 L CB -1.787 40.340 42.059 0.115 0.000 0.891 380 L HN -0.085 nan 8.230 nan 0.000 0.432 381 T N 0.149 114.755 114.554 0.087 0.000 2.699 381 T HA -0.206 4.144 4.350 -0.001 0.000 0.268 381 T C 1.596 176.328 174.700 0.055 0.000 1.036 381 T CA 1.979 64.123 62.100 0.074 0.000 1.147 381 T CB -0.529 68.382 68.868 0.071 0.000 0.862 381 T HN 0.500 nan 8.240 nan 0.000 0.446 382 N N 0.491 119.228 118.700 0.061 0.000 2.084 382 N HA -0.129 4.610 4.740 -0.001 0.000 0.190 382 N C 1.770 177.293 175.510 0.021 0.000 1.030 382 N CA 1.177 54.253 53.050 0.044 0.000 0.849 382 N CB -0.469 38.051 38.487 0.055 0.000 1.012 382 N HN 0.482 nan 8.380 nan 0.000 0.423 383 H N 0.886 119.931 119.070 -0.043 0.000 2.357 383 H HA -0.000 4.555 4.556 -0.001 0.000 0.301 383 H C 1.632 176.888 175.328 -0.121 0.000 1.082 383 H CA 1.111 57.111 56.048 -0.080 0.000 1.342 383 H CB 0.000 29.703 29.762 -0.098 0.000 1.389 383 H HN 0.086 nan 8.280 nan 0.000 0.511 384 I N 1.559 122.102 120.570 -0.045 0.000 2.252 384 I HA -0.188 3.982 4.170 -0.001 0.000 0.245 384 I C 2.295 178.336 176.117 -0.126 0.000 1.102 384 I CA 1.016 62.251 61.300 -0.109 0.000 1.385 384 I CB -1.029 36.980 38.000 0.014 0.000 1.064 384 I HN 0.344 nan 8.210 nan 0.000 0.414 385 E N 0.764 120.914 120.200 -0.084 0.000 2.204 385 E HA -0.167 4.183 4.350 -0.001 0.000 0.195 385 E C 2.196 178.723 176.600 -0.120 0.000 0.990 385 E CA 1.491 57.836 56.400 -0.090 0.000 0.821 385 E CB -0.048 29.618 29.700 -0.057 0.000 0.750 385 E HN 0.530 nan 8.360 nan 0.000 0.477 386 S N 1.357 116.962 115.700 -0.158 0.000 2.428 386 S HA -0.089 4.380 4.470 -0.001 0.000 0.230 386 S C 1.826 176.316 174.600 -0.184 0.000 1.014 386 S CA 0.641 58.741 58.200 -0.166 0.000 0.957 386 S CB -0.455 62.632 63.200 -0.187 0.000 0.784 386 S HN 0.422 nan 8.310 nan 0.000 0.499 387 I N -0.661 119.770 120.570 -0.232 0.000 3.816 387 I HA 0.433 4.603 4.170 -0.001 0.000 0.334 387 I C 1.250 177.296 176.117 -0.119 0.000 1.551 387 I CA -0.844 60.347 61.300 -0.182 0.000 1.153 387 I CB 0.079 37.938 38.000 -0.234 0.000 1.197 387 I HN 0.059 nan 8.210 nan 0.000 0.439 388 R N -0.102 120.331 120.500 -0.112 0.000 2.341 388 R HA 0.045 4.384 4.340 -0.001 0.000 0.213 388 R C 1.084 177.339 176.300 -0.076 0.000 1.082 388 R CA 0.812 56.857 56.100 -0.092 0.000 1.017 388 R CB -0.430 29.804 30.300 -0.110 0.000 0.860 388 R HN 0.385 nan 8.270 nan 0.000 0.473 389 E N 0.803 120.963 120.200 -0.067 0.000 2.276 389 E HA -0.033 4.317 4.350 -0.001 0.000 0.193 389 E C -0.074 176.506 176.600 -0.032 0.000 0.983 389 E CA 0.384 56.753 56.400 -0.051 0.000 0.861 389 E CB 0.020 29.690 29.700 -0.049 0.000 0.817 389 E HN 0.256 nan 8.360 nan 0.000 0.485 390 D N 1.889 122.272 120.400 -0.027 0.000 2.508 390 D HA -0.004 4.636 4.640 -0.001 0.000 0.224 390 D C 0.835 177.151 176.300 0.026 0.000 1.171 390 D CA -0.050 53.949 54.000 -0.001 0.000 1.006 390 D CB 0.331 41.129 40.800 -0.003 0.000 1.073 390 D HN -0.252 nan 8.370 nan 0.000 0.513 391 K N 2.083 122.498 120.400 0.024 0.000 2.152 391 K HA -0.159 4.160 4.320 -0.001 0.000 0.206 391 K C 1.501 178.171 176.600 0.116 0.000 1.048 391 K CA 0.968 57.284 56.287 0.049 0.000 0.933 391 K CB 0.143 32.649 32.500 0.010 0.000 0.721 391 K HN 0.366 nan 8.250 nan 0.000 0.447 392 E N 0.409 120.670 120.200 0.102 0.000 2.077 392 E HA -0.115 4.235 4.350 -0.001 0.000 0.193 392 E C 2.067 178.787 176.600 0.200 0.000 0.989 392 E CA 1.013 57.506 56.400 0.154 0.000 0.800 392 E CB -0.127 29.635 29.700 0.104 0.000 0.746 392 E HN 0.220 nan 8.360 nan 0.000 0.452 393 R N 0.233 120.817 120.500 0.140 0.000 2.115 393 R HA -0.052 4.288 4.340 -0.001 0.000 0.230 393 R C 2.060 178.469 176.300 0.181 0.000 1.111 393 R CA 0.812 56.994 56.100 0.136 0.000 0.976 393 R CB -0.153 30.196 30.300 0.081 0.000 0.870 393 R HN 0.181 nan 8.270 nan 0.000 0.445 394 L N -0.319 121.026 121.223 0.202 0.000 2.027 394 L HA -0.169 4.171 4.340 -0.001 0.000 0.206 394 L C 2.311 179.455 176.870 0.457 0.000 1.074 394 L CA 1.196 56.220 54.840 0.307 0.000 0.745 394 L CB -0.593 41.622 42.059 0.260 0.000 0.898 394 L HN 0.201 nan 8.230 nan 0.000 0.433 395 F N 0.412 120.522 119.950 0.267 0.000 2.095 395 F HA -0.269 4.257 4.527 -0.001 0.000 0.298 395 F C 2.853 178.789 175.800 0.226 0.000 1.104 395 F CA 1.734 59.897 58.000 0.271 0.000 1.232 395 F CB -0.497 38.600 39.000 0.161 0.000 0.987 395 F HN -0.022 nan 8.300 nan 0.000 0.475 396 S N -0.428 115.303 115.700 0.052 0.000 2.383 396 S HA -0.264 4.205 4.470 -0.001 0.000 0.229 396 S C 2.102 176.641 174.600 -0.102 0.000 1.030 396 S CA 1.521 59.674 58.200 -0.079 0.000 1.002 396 S CB -0.958 62.287 63.200 0.074 0.000 0.829 396 S HN 0.485 nan 8.310 nan 0.000 0.467 397 F N 0.720 120.574 119.950 -0.161 0.000 2.113 397 F HA 0.134 4.660 4.527 -0.001 0.000 0.297 397 F C 1.300 176.835 175.800 -0.441 0.000 1.103 397 F CA 1.367 59.173 58.000 -0.324 0.000 1.248 397 F CB -0.211 38.515 39.000 -0.456 0.000 0.999 397 F HN 0.259 nan 8.300 nan 0.000 0.475 398 F N -0.238 119.796 119.950 0.140 0.000 2.732 398 F HA 0.103 4.629 4.527 -0.001 0.000 0.303 398 F C 2.202 177.889 175.800 -0.189 0.000 1.110 398 F CA 0.037 58.062 58.000 0.042 0.000 1.355 398 F CB -0.490 38.741 39.000 0.386 0.000 1.081 398 F HN 0.044 nan 8.300 nan 0.000 0.565 399 Q N 1.171 120.827 119.800 -0.240 0.000 2.020 399 Q HA -0.155 4.184 4.340 -0.001 0.000 0.202 399 Q C -0.633 175.259 176.000 -0.181 0.000 0.982 399 Q CA 1.734 57.308 55.803 -0.380 0.000 0.838 399 Q CB -0.958 27.378 28.738 -0.669 0.000 0.899 399 Q HN 0.212 nan 8.270 nan 0.000 0.423 400 P HA -0.193 nan 4.420 nan 0.000 0.214 400 P C 1.541 178.856 177.300 0.025 0.000 1.163 400 P CA 2.291 65.401 63.100 0.016 0.000 0.889 400 P CB -0.317 31.455 31.700 0.120 0.000 0.790 401 V N -3.165 116.609 119.914 -0.234 0.000 2.427 401 V HA -0.192 3.928 4.120 -0.001 0.000 0.248 401 V C 2.266 178.205 176.094 -0.258 0.000 1.051 401 V CA 1.577 63.667 62.300 -0.349 0.000 1.048 401 V CB -1.907 29.580 31.823 -0.560 0.000 0.666 401 V HN 0.003 nan 8.190 nan 0.000 0.456 402 L N 0.599 121.691 121.223 -0.217 0.000 2.042 402 L HA -0.143 4.196 4.340 -0.001 0.000 0.210 402 L C 2.813 179.600 176.870 -0.138 0.000 1.076 402 L CA 2.033 56.737 54.840 -0.227 0.000 0.749 402 L CB -0.895 41.083 42.059 -0.135 0.000 0.893 402 L HN 0.389 nan 8.230 nan 0.000 0.432 403 N N 0.240 118.903 118.700 -0.061 0.000 2.039 403 N HA -0.198 4.542 4.740 -0.001 0.000 0.193 403 N C 1.795 177.301 175.510 -0.007 0.000 1.044 403 N CA 1.116 54.159 53.050 -0.013 0.000 0.847 403 N CB -0.297 38.204 38.487 0.024 0.000 1.030 403 N HN 0.071 nan 8.380 nan 0.000 0.422 404 K N 1.297 121.725 120.400 0.046 0.000 2.127 404 K HA -0.021 4.298 4.320 -0.001 0.000 0.208 404 K C 1.927 178.527 176.600 0.000 0.000 1.047 404 K CA 0.952 57.291 56.287 0.088 0.000 0.927 404 K CB -0.475 32.200 32.500 0.292 0.000 0.716 404 K HN 0.220 nan 8.250 nan 0.000 0.450 405 I N -0.244 120.264 120.570 -0.104 0.000 2.202 405 I HA -0.276 3.894 4.170 -0.001 0.000 0.242 405 I C 2.084 178.123 176.117 -0.130 0.000 1.091 405 I CA 0.978 62.165 61.300 -0.189 0.000 1.368 405 I CB -0.252 37.509 38.000 -0.398 0.000 1.058 405 I HN 0.182 nan 8.210 nan 0.000 0.410 406 M N 0.442 119.973 119.600 -0.115 0.000 2.149 406 M HA -0.230 4.249 4.480 -0.001 0.000 0.261 406 M C 2.253 178.547 176.300 -0.009 0.000 1.064 406 M CA 1.631 56.894 55.300 -0.063 0.000 1.102 406 M CB -1.195 31.364 32.600 -0.068 0.000 1.369 406 M HN 0.214 nan 8.290 nan 0.000 0.408 407 K N -0.234 120.161 120.400 -0.009 0.000 2.026 407 K HA -0.142 4.177 4.320 -0.001 0.000 0.208 407 K C 1.905 178.511 176.600 0.009 0.000 1.048 407 K CA 1.617 57.909 56.287 0.009 0.000 0.929 407 K CB 0.013 32.522 32.500 0.015 0.000 0.713 407 K HN 0.347 nan 8.250 nan 0.000 0.439 408 C N 0.799 120.098 119.300 -0.002 0.000 2.481 408 C HA 0.105 4.565 4.460 -0.001 0.000 0.275 408 C C 1.758 176.751 174.990 0.005 0.000 1.419 408 C CA 0.122 59.141 59.018 0.001 0.000 1.773 408 C CB -0.620 27.116 27.740 -0.006 0.000 1.862 408 C HN 0.442 nan 8.230 nan 0.000 0.530 409 L N 0.383 121.612 121.223 0.011 0.000 2.791 409 L HA 0.177 4.516 4.340 -0.001 0.000 0.239 409 L C -0.271 176.649 176.870 0.084 0.000 1.203 409 L CA 0.258 55.130 54.840 0.053 0.000 1.002 409 L CB -0.461 41.641 42.059 0.071 0.000 1.295 409 L HN 0.295 nan 8.230 nan 0.000 0.504 410 D N 1.016 121.448 120.400 0.053 0.000 2.760 410 D HA -0.158 4.482 4.640 -0.001 0.000 0.244 410 D C 0.126 176.461 176.300 0.059 0.000 1.123 410 D CA 0.976 55.005 54.000 0.049 0.000 0.719 410 D CB -0.514 40.312 40.800 0.044 0.000 1.045 410 D HN 0.412 nan 8.370 nan 0.000 0.426 411 S N -0.874 114.859 115.700 0.056 0.000 2.819 411 S HA 0.599 5.069 4.470 -0.001 0.000 0.299 411 S C -0.847 173.775 174.600 0.037 0.000 1.192 411 S CA -0.613 57.621 58.200 0.057 0.000 0.847 411 S CB 2.025 65.284 63.200 0.098 0.000 1.224 411 S HN 0.147 nan 8.310 nan 0.000 0.537 412 E N 0.389 120.610 120.200 0.035 0.000 2.396 412 E HA 0.435 4.785 4.350 -0.001 0.000 0.251 412 E C -1.345 175.276 176.600 0.035 0.000 0.949 412 E CA -0.924 55.496 56.400 0.032 0.000 0.834 412 E CB 0.410 30.131 29.700 0.035 0.000 1.309 412 E HN 0.521 nan 8.360 nan 0.000 0.405 413 D N 0.572 121.000 120.400 0.045 0.000 2.449 413 D HA 0.040 4.680 4.640 -0.001 0.000 0.236 413 D C -0.469 175.888 176.300 0.095 0.000 1.149 413 D CA 0.100 54.139 54.000 0.064 0.000 0.878 413 D CB 0.586 41.429 40.800 0.072 0.000 1.198 413 D HN -0.011 nan 8.370 nan 0.000 0.446 414 V N 2.553 122.553 119.914 0.142 0.000 2.811 414 V HA 0.164 4.284 4.120 -0.001 0.000 0.302 414 V C 0.788 177.036 176.094 0.256 0.000 1.063 414 V CA -0.286 62.152 62.300 0.230 0.000 1.088 414 V CB 0.644 32.687 31.823 0.367 0.000 0.982 414 V HN 0.305 nan 8.190 nan 0.000 0.485 415 I N 2.721 123.401 120.570 0.185 0.000 2.377 415 I HA 0.284 4.454 4.170 -0.001 0.000 0.293 415 I C -0.064 176.016 176.117 -0.062 0.000 0.987 415 I CA -0.508 60.843 61.300 0.085 0.000 1.185 415 I CB 1.663 39.696 38.000 0.054 0.000 1.341 415 I HN 0.547 nan 8.210 nan 0.000 0.455 416 D N 5.744 125.997 120.400 -0.245 0.000 2.383 416 D HA 0.148 4.787 4.640 -0.001 0.000 0.245 416 D C 0.585 176.716 176.300 -0.281 0.000 1.263 416 D CA 0.066 53.742 54.000 -0.540 0.000 0.936 416 D CB 0.883 41.239 40.800 -0.740 0.000 1.053 416 D HN 0.749 nan 8.370 nan 0.000 0.507 417 G N 3.406 112.068 108.800 -0.230 0.000 4.291 417 G HA2 0.098 4.057 3.960 -0.001 0.000 0.304 417 G HA3 0.098 4.057 3.960 -0.001 0.000 0.304 417 G C 1.119 175.912 174.900 -0.178 0.000 1.264 417 G CA -0.309 44.696 45.100 -0.158 0.000 1.039 417 G HN 0.457 nan 8.290 nan 0.000 0.578 418 M N -0.294 119.188 119.600 -0.197 0.000 2.595 418 M HA 0.185 4.664 4.480 -0.001 0.000 0.248 418 M C 1.015 177.256 176.300 -0.099 0.000 1.119 418 M CA 0.663 55.864 55.300 -0.165 0.000 1.079 418 M CB 0.353 32.854 32.600 -0.165 0.000 1.472 418 M HN 0.013 nan 8.290 nan 0.000 0.501 419 R N 1.105 121.558 120.500 -0.080 0.000 2.587 419 R HA 0.361 4.701 4.340 -0.001 0.000 0.283 419 R C -2.211 174.074 176.300 -0.025 0.000 1.472 419 R CA -1.197 54.877 56.100 -0.043 0.000 1.578 419 R CB -0.002 30.276 30.300 -0.037 0.000 1.130 419 R HN 0.132 nan 8.270 nan 0.000 0.602 428 N N 0.619 119.318 118.700 -0.002 0.000 2.405 428 N HA 0.081 4.821 4.740 -0.001 0.000 0.175 428 N C 0.005 175.520 175.510 0.009 0.000 1.051 428 N CA 0.388 53.435 53.050 -0.004 0.000 0.899 428 N CB 0.128 38.616 38.487 0.001 0.000 1.000 428 N HN 0.509 nan 8.380 nan 0.000 0.451 429 K N 2.439 122.851 120.400 0.020 0.000 2.234 429 K HA 0.260 4.579 4.320 -0.001 0.000 0.282 429 K C -2.366 174.263 176.600 0.049 0.000 1.039 429 K CA -1.603 54.706 56.287 0.036 0.000 0.928 429 K CB 1.321 33.846 32.500 0.042 0.000 1.039 429 K HN 0.161 nan 8.250 nan 0.000 0.470 430 P HA 0.065 nan 4.420 nan 0.000 0.276 430 P C -0.722 176.696 177.300 0.197 0.000 1.243 430 P CA -0.280 62.870 63.100 0.083 0.000 0.768 430 P CB 0.851 32.509 31.700 -0.070 0.000 0.856 431 V N 5.482 125.550 119.914 0.256 0.000 2.357 431 V HA 0.149 4.269 4.120 -0.001 0.000 0.284 431 V C 0.458 176.681 176.094 0.217 0.000 1.018 431 V CA -0.920 61.497 62.300 0.195 0.000 0.841 431 V CB 1.463 33.328 31.823 0.070 0.000 0.991 431 V HN 0.434 nan 8.190 nan 0.000 0.437 432 L N 6.759 128.033 121.223 0.085 0.000 2.361 432 L HA 0.387 4.727 4.340 -0.001 0.000 0.278 432 L C 1.280 177.967 176.870 -0.304 0.000 1.113 432 L CA 0.722 55.410 54.840 -0.253 0.000 0.849 432 L CB 0.453 42.381 42.059 -0.219 0.000 1.155 432 L HN 0.505 nan 8.230 nan 0.000 0.452 433 R N 2.992 123.235 120.500 -0.427 0.000 2.103 433 R HA 0.244 4.583 4.340 -0.001 0.000 0.212 433 R C 0.261 176.321 176.300 -0.399 0.000 1.107 433 R CA 0.481 56.260 56.100 -0.536 0.000 1.025 433 R CB -0.244 29.350 30.300 -1.177 0.000 0.929 433 R HN 0.785 nan 8.270 nan 0.000 0.456 434 N N -0.348 118.143 118.700 -0.348 0.000 2.416 434 N HA 0.414 5.153 4.740 -0.001 0.000 0.276 434 N C -1.490 173.881 175.510 -0.232 0.000 1.261 434 N CA -0.484 52.438 53.050 -0.213 0.000 0.790 434 N CB 2.080 40.504 38.487 -0.105 0.000 1.554 434 N HN -0.165 nan 8.380 nan 0.000 0.481 435 I N 2.894 123.341 120.570 -0.205 0.000 2.512 435 I HA 0.403 4.573 4.170 -0.001 0.000 0.287 435 I C -0.787 175.170 176.117 -0.268 0.000 1.069 435 I CA -0.563 60.562 61.300 -0.291 0.000 1.056 435 I CB 1.905 39.769 38.000 -0.226 0.000 1.229 435 I HN 0.386 nan 8.210 nan 0.000 0.429 436 I N 6.531 126.895 120.570 -0.343 0.000 2.441 436 I HA 0.551 4.720 4.170 -0.001 0.000 0.295 436 I C -0.515 175.422 176.117 -0.300 0.000 0.994 436 I CA -0.943 60.193 61.300 -0.274 0.000 1.144 436 I CB 2.099 39.938 38.000 -0.268 0.000 1.314 436 I HN 0.167 nan 8.210 nan 0.000 0.445 437 V N 3.846 123.622 119.914 -0.231 0.000 2.769 437 V HA 0.400 4.520 4.120 -0.001 0.000 0.312 437 V C 0.241 176.208 176.094 -0.211 0.000 1.061 437 V CA -0.716 61.455 62.300 -0.215 0.000 0.931 437 V CB 2.039 33.760 31.823 -0.170 0.000 1.010 437 V HN 0.920 nan 8.190 nan 0.000 0.433 438 S N 1.803 117.384 115.700 -0.197 0.000 2.617 438 S HA 0.287 4.757 4.470 -0.001 0.000 0.259 438 S C 0.251 174.652 174.600 -0.332 0.000 1.301 438 S CA 0.048 58.068 58.200 -0.301 0.000 0.984 438 S CB 0.650 63.759 63.200 -0.151 0.000 0.954 438 S HN 0.860 nan 8.310 nan 0.000 0.572 439 N N -1.317 117.059 118.700 -0.540 0.000 2.286 439 N HA 0.248 4.987 4.740 -0.001 0.000 0.245 439 N C -0.095 175.267 175.510 -0.245 0.000 1.363 439 N CA -0.536 52.313 53.050 -0.335 0.000 0.822 439 N CB -0.111 38.193 38.487 -0.305 0.000 1.345 439 N HN 0.759 nan 8.380 nan 0.000 0.494 440 W N -0.099 121.202 121.300 0.002 0.000 2.350 440 W HA -0.120 4.540 4.660 -0.001 0.000 0.289 440 W C 2.316 178.853 176.519 0.031 0.000 1.215 440 W CA 1.433 58.793 57.345 0.025 0.000 1.236 440 W CB -0.320 29.158 29.460 0.030 0.000 1.130 440 W HN 0.199 nan 8.180 nan 0.000 0.541 441 T N -1.585 113.091 114.554 0.205 0.000 2.985 441 T HA -0.019 4.330 4.350 -0.001 0.000 0.266 441 T C 1.607 176.348 174.700 0.069 0.000 1.076 441 T CA 0.779 62.962 62.100 0.137 0.000 1.135 441 T CB -0.200 68.725 68.868 0.095 0.000 0.890 441 T HN 0.180 nan 8.240 nan 0.000 0.480 442 R N 0.894 121.409 120.500 0.026 0.000 2.290 442 R HA 0.216 4.556 4.340 -0.001 0.000 0.197 442 R C 0.296 176.575 176.300 -0.034 0.000 0.913 442 R CA 0.061 56.151 56.100 -0.018 0.000 1.040 442 R CB 0.063 30.336 30.300 -0.045 0.000 0.992 442 R HN 0.336 nan 8.270 nan 0.000 0.500 443 D N 2.379 122.776 120.400 -0.004 0.000 2.358 443 D HA 0.018 4.657 4.640 -0.001 0.000 0.258 443 D C -1.395 174.868 176.300 -0.061 0.000 1.223 443 D CA -2.223 51.770 54.000 -0.012 0.000 0.886 443 D CB 1.435 42.283 40.800 0.082 0.000 1.120 443 D HN -0.038 nan 8.370 nan 0.000 0.482 444 P HA -0.160 nan 4.420 nan 0.000 0.223 444 P C 0.596 177.638 177.300 -0.430 0.000 1.144 444 P CA 1.068 63.929 63.100 -0.399 0.000 0.783 444 P CB -0.071 31.268 31.700 -0.602 0.000 0.771 445 Y N -0.184 120.158 120.300 0.069 0.000 2.468 445 Y HA 0.089 4.638 4.550 -0.001 0.000 0.268 445 Y C 2.262 178.229 175.900 0.112 0.000 1.177 445 Y CA 0.308 58.455 58.100 0.078 0.000 1.265 445 Y CB 0.156 38.667 38.460 0.084 0.000 1.103 445 Y HN 0.141 nan 8.280 nan 0.000 0.522 446 S N -0.932 114.894 115.700 0.210 0.000 3.171 446 S HA 0.146 4.616 4.470 -0.001 0.000 0.258 446 S C 0.655 175.352 174.600 0.161 0.000 1.083 446 S CA -0.435 57.907 58.200 0.237 0.000 0.801 446 S CB 0.150 63.601 63.200 0.419 0.000 0.831 446 S HN 0.221 nan 8.310 nan 0.000 0.462 447 R N 2.263 122.844 120.500 0.135 0.000 3.205 447 R HA 0.021 4.361 4.340 -0.001 0.000 0.249 447 R C 0.530 176.955 176.300 0.209 0.000 0.937 447 R CA 0.497 56.646 56.100 0.081 0.000 0.641 447 R CB -2.199 28.068 30.300 -0.055 0.000 1.114 447 R HN 1.246 nan 8.270 nan 0.000 0.451 448 G N -2.038 106.953 108.800 0.318 0.000 2.384 448 G HA2 0.186 4.145 3.960 -0.001 0.000 0.668 448 G HA3 0.186 4.145 3.960 -0.001 0.000 0.668 448 G C 0.215 175.269 174.900 0.256 0.000 1.280 448 G CA -0.256 45.067 45.100 0.370 0.000 0.992 448 G HN 0.421 nan 8.290 nan 0.000 0.512 449 A N -1.005 121.726 122.820 -0.149 0.000 1.881 449 A HA 0.733 5.053 4.320 -0.001 0.000 0.210 449 A C 0.691 177.924 177.584 -0.586 0.000 1.239 449 A CA 2.518 54.288 52.037 -0.446 0.000 0.629 449 A CB -0.166 18.431 19.000 -0.671 0.000 0.906 449 A HN 2.313 nan 8.150 nan 0.000 0.460 450 Y N -2.913 116.747 120.300 -1.068 0.000 2.814 450 Y HA 0.500 5.049 4.550 -0.001 0.000 0.348 450 Y C -0.154 174.896 175.900 -1.417 0.000 1.245 450 Y CA -1.409 55.983 58.100 -1.180 0.000 1.086 450 Y CB 0.004 38.152 38.460 -0.521 0.000 1.373 450 Y HN 0.173 nan 8.280 nan 0.000 0.451 451 S N 1.075 116.545 115.700 -0.383 0.000 2.537 451 S HA 0.730 5.199 4.470 -0.001 0.000 0.286 451 S C -0.118 174.477 174.600 -0.008 0.000 1.299 451 S CA 0.305 58.457 58.200 -0.080 0.000 1.067 451 S CB 0.443 63.719 63.200 0.126 0.000 0.864 451 S HN 1.599 nan 8.310 nan 0.000 0.494 452 A N 1.903 124.715 122.820 -0.013 0.000 2.594 452 A HA 0.686 5.005 4.320 -0.001 0.000 0.291 452 A C -0.834 176.779 177.584 0.048 0.000 1.105 452 A CA -0.909 51.170 52.037 0.071 0.000 0.694 452 A CB 1.075 20.125 19.000 0.083 0.000 1.291 452 A HN 0.982 nan 8.150 nan 0.000 0.410 453 C N 0.886 120.249 119.300 0.105 0.000 2.303 453 C HA 0.637 5.096 4.460 -0.001 0.000 0.326 453 C C 0.076 175.240 174.990 0.290 0.000 1.285 453 C CA -0.503 58.582 59.018 0.112 0.000 1.675 453 C CB -1.072 26.709 27.740 0.068 0.000 2.289 453 C HN 0.633 nan 8.230 nan 0.000 0.512 454 F N 3.669 123.690 119.950 0.118 0.000 2.370 454 F HA 0.357 4.883 4.527 -0.001 0.000 0.319 454 F C -1.489 174.340 175.800 0.048 0.000 1.129 454 F CA -2.407 55.618 58.000 0.041 0.000 1.109 454 F CB 0.918 39.881 39.000 -0.061 0.000 1.262 454 F HN 0.300 nan 8.300 nan 0.000 0.534 455 P HA 0.058 nan 4.420 nan 0.000 0.268 455 P C 0.405 177.793 177.300 0.147 0.000 1.204 455 P CA 0.817 64.006 63.100 0.148 0.000 0.768 455 P CB 0.924 32.693 31.700 0.116 0.000 0.842 456 G N 2.085 110.953 108.800 0.114 0.000 2.232 456 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.226 456 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.226 456 G C -0.064 174.894 174.900 0.096 0.000 0.996 456 G CA -0.206 44.956 45.100 0.103 0.000 0.626 456 G HN 0.517 nan 8.290 nan 0.000 0.509 457 D N 1.102 121.569 120.400 0.113 0.000 2.382 457 D HA 0.497 5.137 4.640 -0.001 0.000 0.245 457 D C -0.296 176.023 176.300 0.032 0.000 1.120 457 D CA 0.365 54.414 54.000 0.082 0.000 0.890 457 D CB 1.339 42.202 40.800 0.104 0.000 1.201 457 D HN 0.228 nan 8.370 nan 0.000 0.433 458 D N 1.767 122.169 120.400 0.003 0.000 2.440 458 D HA 0.216 4.856 4.640 -0.001 0.000 0.252 458 D C -1.893 174.385 176.300 -0.036 0.000 1.180 458 D CA -1.936 52.057 54.000 -0.011 0.000 0.894 458 D CB 1.649 42.445 40.800 -0.007 0.000 1.111 458 D HN -0.003 nan 8.370 nan 0.000 0.544 459 P HA -0.147 nan 4.420 nan 0.000 0.221 459 P C 1.366 178.634 177.300 -0.054 0.000 1.145 459 P CA 0.405 63.478 63.100 -0.044 0.000 0.795 459 P CB 0.516 32.206 31.700 -0.016 0.000 0.775 460 V N 0.900 120.789 119.914 -0.041 0.000 2.515 460 V HA -0.193 3.927 4.120 -0.001 0.000 0.250 460 V C 2.197 178.252 176.094 -0.065 0.000 1.058 460 V CA 2.114 64.387 62.300 -0.044 0.000 1.064 460 V CB -1.272 30.535 31.823 -0.027 0.000 0.675 460 V HN 0.062 nan 8.190 nan 0.000 0.461 461 D N -0.463 119.892 120.400 -0.076 0.000 2.104 461 D HA -0.218 4.421 4.640 -0.001 0.000 0.194 461 D C 1.993 178.207 176.300 -0.143 0.000 0.994 461 D CA 1.551 55.493 54.000 -0.097 0.000 0.830 461 D CB -0.244 40.497 40.800 -0.098 0.000 0.959 461 D HN 0.352 nan 8.370 nan 0.000 0.452 462 M N 0.180 119.673 119.600 -0.177 0.000 2.099 462 M HA -0.096 4.384 4.480 -0.001 0.000 0.262 462 M C 1.963 178.152 176.300 -0.186 0.000 1.067 462 M CA 1.122 56.277 55.300 -0.241 0.000 1.124 462 M CB -0.460 31.988 32.600 -0.255 0.000 1.353 462 M HN -0.131 nan 8.290 nan 0.000 0.410 463 V N -0.711 119.126 119.914 -0.127 0.000 2.332 463 V HA -0.275 3.844 4.120 -0.001 0.000 0.248 463 V C 2.377 178.414 176.094 -0.094 0.000 1.055 463 V CA 1.797 64.035 62.300 -0.103 0.000 1.038 463 V CB -0.926 30.856 31.823 -0.068 0.000 0.651 463 V HN 0.399 nan 8.190 nan 0.000 0.450 464 V N 0.019 119.881 119.914 -0.086 0.000 2.270 464 V HA -0.218 3.901 4.120 -0.001 0.000 0.245 464 V C 2.695 178.741 176.094 -0.080 0.000 1.043 464 V CA 1.990 64.249 62.300 -0.068 0.000 1.014 464 V CB -1.095 30.694 31.823 -0.057 0.000 0.645 464 V HN 0.556 nan 8.190 nan 0.000 0.447 465 A N -0.506 122.242 122.820 -0.120 0.000 1.908 465 A HA -0.232 4.087 4.320 -0.001 0.000 0.218 465 A C 2.248 179.729 177.584 -0.171 0.000 1.181 465 A CA 2.121 54.071 52.037 -0.145 0.000 0.627 465 A CB -0.458 18.420 19.000 -0.204 0.000 0.818 465 A HN 0.416 nan 8.150 nan 0.000 0.445 466 M N 0.509 119.975 119.600 -0.224 0.000 2.077 466 M HA -0.115 4.364 4.480 -0.001 0.000 0.261 466 M C 2.492 178.799 176.300 0.011 0.000 1.070 466 M CA 2.087 57.245 55.300 -0.235 0.000 1.125 466 M CB -1.544 30.904 32.600 -0.253 0.000 1.339 466 M HN 0.639 nan 8.290 nan 0.000 0.409 467 S N -0.007 115.681 115.700 -0.019 0.000 2.474 467 S HA -0.056 4.413 4.470 -0.001 0.000 0.235 467 S C 1.361 175.984 174.600 0.038 0.000 0.997 467 S CA 0.918 59.128 58.200 0.017 0.000 0.949 467 S CB -0.500 62.691 63.200 -0.014 0.000 0.766 467 S HN 0.408 nan 8.310 nan 0.000 0.517 468 N N 1.752 120.471 118.700 0.033 0.000 2.336 468 N HA 0.257 4.996 4.740 -0.001 0.000 0.189 468 N C 1.002 176.562 175.510 0.082 0.000 1.113 468 N CA 0.796 53.869 53.050 0.039 0.000 0.858 468 N CB 0.127 38.621 38.487 0.013 0.000 0.970 468 N HN 0.650 nan 8.380 nan 0.000 0.471 469 G N 1.361 110.260 108.800 0.164 0.000 2.901 469 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.654 469 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.654 469 G C 0.526 175.576 174.900 0.250 0.000 1.550 469 G CA 0.306 45.571 45.100 0.275 0.000 0.978 469 G HN 0.297 nan 8.290 nan 0.000 0.566 470 Q N 0.253 120.250 119.800 0.327 0.000 2.119 470 Q HA 0.173 4.513 4.340 -0.001 0.000 0.201 470 Q C 1.068 177.121 176.000 0.089 0.000 0.972 470 Q CA 2.902 58.822 55.803 0.194 0.000 0.847 470 Q CB 0.055 28.883 28.738 0.149 0.000 0.903 470 Q HN 1.164 nan 8.270 nan 0.000 0.433 471 D N -4.069 116.372 120.400 0.069 0.000 2.879 471 D HA 0.036 4.676 4.640 -0.001 0.000 0.346 471 D C 0.257 176.582 176.300 0.042 0.000 1.390 471 D CA 0.184 54.209 54.000 0.043 0.000 0.838 471 D CB -0.391 40.423 40.800 0.024 0.000 1.416 471 D HN -0.057 nan 8.370 nan 0.000 0.493 472 S N -0.960 114.762 115.700 0.035 0.000 2.419 472 S HA -0.191 4.279 4.470 -0.001 0.000 0.235 472 S C 1.343 176.002 174.600 0.098 0.000 1.019 472 S CA 0.795 59.036 58.200 0.068 0.000 0.982 472 S CB -0.371 62.860 63.200 0.052 0.000 0.789 472 S HN 0.470 nan 8.310 nan 0.000 0.490 473 R N 0.537 121.023 120.500 -0.022 0.000 2.225 473 R HA 0.439 4.779 4.340 -0.001 0.000 0.194 473 R C 0.386 176.676 176.300 -0.018 0.000 0.957 473 R CA 0.154 56.183 56.100 -0.118 0.000 1.042 473 R CB -0.284 29.827 30.300 -0.315 0.000 1.004 473 R HN 0.457 nan 8.270 nan 0.000 0.509 474 I N 3.650 124.200 120.570 -0.034 0.000 2.310 474 I HA 0.193 4.363 4.170 -0.001 0.000 0.287 474 I C -0.005 175.978 176.117 -0.224 0.000 1.073 474 I CA -0.419 60.820 61.300 -0.102 0.000 1.216 474 I CB 0.441 38.420 38.000 -0.035 0.000 1.415 474 I HN -0.263 nan 8.210 nan 0.000 0.480 475 R N 5.241 125.575 120.500 -0.277 0.000 2.797 475 R HA 0.711 5.051 4.340 -0.001 0.000 0.251 475 R C -1.014 174.934 176.300 -0.587 0.000 1.107 475 R CA -0.905 55.030 56.100 -0.276 0.000 1.084 475 R CB 1.221 31.477 30.300 -0.074 0.000 1.205 475 R HN 0.209 nan 8.270 nan 0.000 0.515 476 F N -1.008 118.948 119.950 0.010 0.000 2.588 476 F HA 0.736 5.262 4.527 -0.001 0.000 0.310 476 F C -0.071 175.697 175.800 -0.054 0.000 1.082 476 F CA -0.843 57.158 58.000 0.002 0.000 0.929 476 F CB 2.298 41.296 39.000 -0.003 0.000 1.254 476 F HN 0.629 nan 8.300 nan 0.000 0.455 477 A N 0.926 123.819 122.820 0.123 0.000 2.594 477 A HA 0.989 5.308 4.320 -0.001 0.000 0.291 477 A C -0.491 177.071 177.584 -0.038 0.000 1.105 477 A CA -0.341 51.697 52.037 0.001 0.000 0.694 477 A CB 1.772 20.768 19.000 -0.008 0.000 1.291 477 A HN 1.791 nan 8.150 nan 0.000 0.410 478 G N -0.240 108.508 108.800 -0.087 0.000 2.326 478 G HA2 0.463 4.422 3.960 -0.001 0.000 0.413 478 G HA3 0.463 4.422 3.960 -0.001 0.000 0.413 478 G C -0.030 174.804 174.900 -0.109 0.000 1.444 478 G CA 0.593 45.669 45.100 -0.040 0.000 1.002 478 G HN 1.774 nan 8.290 nan 0.000 0.649 479 E N -0.271 119.956 120.200 0.045 0.000 2.273 479 E HA -0.230 4.120 4.350 -0.001 0.000 0.198 479 E C 1.574 178.176 176.600 0.004 0.000 1.002 479 E CA 2.401 58.800 56.400 -0.002 0.000 0.828 479 E CB -0.359 29.331 29.700 -0.015 0.000 0.747 479 E HN 0.878 nan 8.360 nan 0.000 0.491 480 H N -0.252 118.823 119.070 0.008 0.000 2.526 480 H HA 0.216 4.772 4.556 -0.001 0.000 0.274 480 H C 0.540 175.841 175.328 -0.045 0.000 0.999 480 H CA 1.016 57.060 56.048 -0.006 0.000 1.157 480 H CB -0.205 29.581 29.762 0.040 0.000 1.407 480 H HN 0.297 nan 8.280 nan 0.000 0.568 481 T N -1.599 112.716 114.554 -0.398 0.000 3.215 481 T HA 0.417 4.767 4.350 -0.001 0.000 0.271 481 T C 0.229 174.844 174.700 -0.143 0.000 1.012 481 T CA -0.411 61.515 62.100 -0.290 0.000 0.899 481 T CB -0.369 68.314 68.868 -0.308 0.000 1.089 481 T HN 0.322 nan 8.240 nan 0.000 0.552 482 I N 0.263 120.769 120.570 -0.107 0.000 2.842 482 I HA 0.337 4.506 4.170 -0.001 0.000 0.297 482 I C 0.266 176.356 176.117 -0.045 0.000 1.380 482 I CA -1.198 60.066 61.300 -0.062 0.000 1.018 482 I CB 2.044 40.014 38.000 -0.049 0.000 1.311 482 I HN -0.137 nan 8.210 nan 0.000 0.439 483 M N 1.974 121.563 119.600 -0.018 0.000 2.073 483 M HA 0.045 4.525 4.480 -0.001 0.000 0.259 483 M C 0.030 176.338 176.300 0.013 0.000 1.079 483 M CA 1.363 56.663 55.300 -0.000 0.000 1.131 483 M CB -0.824 31.785 32.600 0.015 0.000 1.316 483 M HN 0.449 nan 8.290 nan 0.000 0.415 484 D N 0.959 121.385 120.400 0.044 0.000 2.382 484 D HA 0.295 4.935 4.640 -0.001 0.000 0.259 484 D C 1.067 177.357 176.300 -0.017 0.000 1.224 484 D CA 0.868 54.923 54.000 0.093 0.000 0.894 484 D CB 0.175 41.079 40.800 0.174 0.000 1.127 484 D HN 0.647 nan 8.370 nan 0.000 0.487 485 G N 1.964 110.704 108.800 -0.101 0.000 2.147 485 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.244 485 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.244 485 G C 0.551 175.235 174.900 -0.360 0.000 1.005 485 G CA 0.048 44.805 45.100 -0.571 0.000 0.713 485 G HN 0.835 nan 8.290 nan 0.000 0.515 486 A N -0.646 122.074 122.820 -0.167 0.000 2.531 486 A HA 0.618 4.937 4.320 -0.001 0.000 0.236 486 A C 2.181 179.649 177.584 -0.194 0.000 1.062 486 A CA 2.044 54.002 52.037 -0.132 0.000 0.760 486 A CB -0.042 18.922 19.000 -0.060 0.000 0.995 486 A HN 2.411 nan 8.150 nan 0.000 0.501 487 G N 0.472 109.150 108.800 -0.204 0.000 2.328 487 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.256 487 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.256 487 G C 0.532 175.126 174.900 -0.510 0.000 1.014 487 G CA 0.579 45.455 45.100 -0.373 0.000 0.620 487 G HN 1.209 nan 8.290 nan 0.000 0.530 488 C N 0.572 119.645 119.300 -0.379 0.000 2.382 488 C HA 0.769 5.229 4.460 -0.001 0.000 0.363 488 C C 2.349 177.204 174.990 -0.226 0.000 1.213 488 C CA 0.238 59.073 59.018 -0.304 0.000 2.363 488 C CB 1.037 28.640 27.740 -0.229 0.000 2.397 488 C HN 0.889 nan 8.230 nan 0.000 0.573 489 A N 1.083 123.825 122.820 -0.130 0.000 1.908 489 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 489 A C 1.816 179.466 177.584 0.110 0.000 1.181 489 A CA 2.218 54.218 52.037 -0.062 0.000 0.627 489 A CB -0.901 18.007 19.000 -0.154 0.000 0.818 489 A HN 1.079 nan 8.150 nan 0.000 0.445 490 Y N -0.722 119.644 120.300 0.110 0.000 2.352 490 Y HA 0.190 4.740 4.550 -0.001 0.000 0.292 490 Y C 2.094 178.157 175.900 0.272 0.000 1.136 490 Y CA 0.577 58.779 58.100 0.170 0.000 1.227 490 Y CB -1.086 37.432 38.460 0.095 0.000 0.991 490 Y HN 0.079 nan 8.280 nan 0.000 0.545 491 G N 0.833 109.415 108.800 -0.365 0.000 2.404 491 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.215 491 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.215 491 G C 1.865 176.767 174.900 0.003 0.000 1.174 491 G CA 1.123 46.080 45.100 -0.238 0.000 0.780 491 G HN 0.633 nan 8.290 nan 0.000 0.537 492 A N 0.151 122.975 122.820 0.007 0.000 1.908 492 A HA -0.127 4.192 4.320 -0.001 0.000 0.218 492 A C 2.149 179.823 177.584 0.149 0.000 1.181 492 A CA 1.756 53.825 52.037 0.054 0.000 0.627 492 A CB -0.858 18.170 19.000 0.047 0.000 0.818 492 A HN 0.606 nan 8.150 nan 0.000 0.445 493 W N 0.769 122.092 121.300 0.038 0.000 2.333 493 W HA -0.238 4.422 4.660 -0.001 0.000 0.316 493 W C 2.056 178.624 176.519 0.082 0.000 1.215 493 W CA 2.302 59.699 57.345 0.087 0.000 1.278 493 W CB -0.227 29.325 29.460 0.153 0.000 1.154 493 W HN 0.387 nan 8.180 nan 0.000 0.486 494 E N 0.475 120.915 120.200 0.399 0.000 2.118 494 E HA -0.244 4.106 4.350 -0.001 0.000 0.195 494 E C 2.335 178.908 176.600 -0.046 0.000 0.992 494 E CA 2.339 58.818 56.400 0.133 0.000 0.804 494 E CB -0.638 29.267 29.700 0.342 0.000 0.741 494 E HN 0.309 nan 8.360 nan 0.000 0.458 495 S N -1.155 114.540 115.700 -0.009 0.000 2.402 495 S HA -0.042 4.427 4.470 -0.001 0.000 0.229 495 S C 2.200 176.750 174.600 -0.084 0.000 1.021 495 S CA 0.981 59.153 58.200 -0.046 0.000 0.974 495 S CB -0.705 62.466 63.200 -0.048 0.000 0.800 495 S HN 0.338 nan 8.310 nan 0.000 0.484 496 G N 1.837 110.568 108.800 -0.114 0.000 2.404 496 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.215 496 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.215 496 G C 1.567 176.348 174.900 -0.198 0.000 1.174 496 G CA 0.630 45.646 45.100 -0.139 0.000 0.780 496 G HN 0.570 nan 8.290 nan 0.000 0.537 497 R N 0.338 120.648 120.500 -0.317 0.000 2.073 497 R HA -0.011 4.328 4.340 -0.001 0.000 0.234 497 R C 2.564 178.754 176.300 -0.184 0.000 1.134 497 R CA 1.439 57.350 56.100 -0.314 0.000 0.952 497 R CB -0.353 29.650 30.300 -0.495 0.000 0.850 497 R HN 0.337 nan 8.270 nan 0.000 0.433 498 R N 0.467 120.881 120.500 -0.143 0.000 2.103 498 R HA -0.184 4.155 4.340 -0.001 0.000 0.234 498 R C 1.828 178.076 176.300 -0.087 0.000 1.132 498 R CA 2.125 58.173 56.100 -0.087 0.000 0.925 498 R CB -0.243 30.024 30.300 -0.055 0.000 0.842 498 R HN 0.255 nan 8.270 nan 0.000 0.430 499 E N 0.159 120.307 120.200 -0.086 0.000 2.110 499 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 499 E C 1.858 178.387 176.600 -0.119 0.000 0.988 499 E CA 1.324 57.672 56.400 -0.087 0.000 0.804 499 E CB -0.281 29.377 29.700 -0.071 0.000 0.745 499 E HN 0.533 nan 8.360 nan 0.000 0.458 500 A N 0.749 123.494 122.820 -0.124 0.000 1.930 500 A HA -0.115 4.204 4.320 -0.001 0.000 0.217 500 A C 2.452 179.959 177.584 -0.127 0.000 1.175 500 A CA 1.824 53.783 52.037 -0.130 0.000 0.627 500 A CB -0.760 18.171 19.000 -0.115 0.000 0.815 500 A HN 0.218 nan 8.150 nan 0.000 0.443 501 T N -0.520 113.967 114.554 -0.112 0.000 2.708 501 T HA -0.162 4.187 4.350 -0.001 0.000 0.266 501 T C 2.086 176.725 174.700 -0.102 0.000 1.037 501 T CA 1.603 63.646 62.100 -0.094 0.000 1.146 501 T CB -0.263 68.558 68.868 -0.078 0.000 0.865 501 T HN 0.625 nan 8.240 nan 0.000 0.435 502 R N 0.694 121.131 120.500 -0.106 0.000 2.105 502 R HA -0.048 4.291 4.340 -0.001 0.000 0.239 502 R C 2.313 178.506 176.300 -0.178 0.000 1.135 502 R CA 1.474 57.508 56.100 -0.110 0.000 0.967 502 R CB -0.447 29.799 30.300 -0.090 0.000 0.861 502 R HN 0.399 nan 8.270 nan 0.000 0.442 503 I N 0.986 121.404 120.570 -0.254 0.000 2.286 503 I HA -0.218 3.951 4.170 -0.001 0.000 0.245 503 I C 2.470 178.396 176.117 -0.318 0.000 1.104 503 I CA 1.377 62.411 61.300 -0.443 0.000 1.397 503 I CB -0.277 37.410 38.000 -0.521 0.000 1.072 503 I HN 0.345 nan 8.210 nan 0.000 0.417 504 S N 0.148 115.733 115.700 -0.192 0.000 2.399 504 S HA -0.185 4.284 4.470 -0.001 0.000 0.231 504 S C 1.562 176.105 174.600 -0.095 0.000 1.022 504 S CA 1.249 59.377 58.200 -0.119 0.000 0.983 504 S CB -0.393 62.762 63.200 -0.074 0.000 0.803 504 S HN 0.352 nan 8.310 nan 0.000 0.480 505 D N 1.792 122.133 120.400 -0.099 0.000 2.123 505 D HA 0.081 4.721 4.640 -0.001 0.000 0.200 505 D C 1.967 178.229 176.300 -0.064 0.000 0.976 505 D CA 0.824 54.784 54.000 -0.067 0.000 0.831 505 D CB -0.368 40.398 40.800 -0.057 0.000 0.974 505 D HN 0.374 nan 8.370 nan 0.000 0.469 506 L N 0.251 121.414 121.223 -0.101 0.000 2.093 506 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 506 L C 2.425 179.277 176.870 -0.030 0.000 1.085 506 L CA 0.592 55.394 54.840 -0.064 0.000 0.755 506 L CB -0.247 41.750 42.059 -0.103 0.000 0.904 506 L HN 0.044 nan 8.230 nan 0.000 0.435 507 L N -0.194 120.988 121.223 -0.069 0.000 2.217 507 L HA -0.171 4.168 4.340 -0.001 0.000 0.211 507 L C 2.540 179.408 176.870 -0.003 0.000 1.107 507 L CA 0.661 55.493 54.840 -0.013 0.000 0.783 507 L CB -0.446 41.593 42.059 -0.034 0.000 0.919 507 L HN 0.193 nan 8.230 nan 0.000 0.442 508 K N 0.877 121.266 120.400 -0.018 0.000 2.280 508 K HA -0.064 4.256 4.320 -0.001 0.000 0.202 508 K C 0.744 177.344 176.600 0.001 0.000 1.047 508 K CA 1.063 57.345 56.287 -0.008 0.000 0.942 508 K CB -0.193 32.298 32.500 -0.015 0.000 0.739 508 K HN 0.174 nan 8.250 nan 0.000 0.457 509 L N 0.000 121.225 121.223 0.004 0.000 2.949 509 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 509 L CA 0.000 54.846 54.840 0.010 0.000 0.813 509 L CB 0.000 42.066 42.059 0.011 0.000 0.961 509 L HN 0.000 nan 8.230 nan 0.000 0.502