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 2j9g_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLDKIVIANR GEIALRILRA CKELGIKTVA VHSSADRDLK HVLLADETVC DATA SEQUENCE IGPAPSVKSY LNIPAIISAA EITGAVAIHP GYGFLSENAN FAEQVERSGF DATA SEQUENCE IFIGPKAETI RLMGDKVSAI AAMKKAGVPC VPGSDGPLGD DMDKNRAIAK DATA SEQUENCE RIGYPVIIKA SGGGGGRXXR VVRGDAELAQ SISMTRAEAK AXXXNDMVYM DATA SEQUENCE EKYLENPRHV EIQVLADGQG NAIYLAERDC SMQRRHQKVV EEAPAPGITP DATA SEQUENCE ELRRYIGERC AKACVDIGYR GAGTFEFLFE NGEFYFIEMN TRIQVEHPVT DATA SEQUENCE EMITGVDLIK EQLRIAAGQP LSIKQEEVHV RGHAVECRIN AEDPNTFLPS DATA SEQUENCE PGKITRFHAP GGFGVRWESH IYAGYTVPPY YDSMIGKLIC YGENRDVAIA DATA SEQUENCE RMKNALQELI IDGIKTNVDL QIRIMNDENF QHGGTNIHYL EKKLGLQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.304 176.300 0.006 0.000 1.140 1 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 L N 1.681 122.909 121.223 0.008 0.000 2.499 2 L HA 0.001 4.341 4.340 -0.000 0.000 0.273 2 L C 1.226 178.107 176.870 0.019 0.000 1.195 2 L CA 0.196 55.045 54.840 0.015 0.000 0.882 2 L CB 0.020 42.090 42.059 0.018 0.000 1.133 2 L HN 0.772 nan 8.230 nan 0.000 0.483 3 D N 2.252 122.666 120.400 0.023 0.000 2.097 3 D HA -0.107 4.533 4.640 -0.000 0.000 0.195 3 D C 0.526 176.843 176.300 0.028 0.000 0.989 3 D CA 1.503 55.517 54.000 0.023 0.000 0.827 3 D CB 0.386 41.199 40.800 0.023 0.000 0.966 3 D HN 0.476 nan 8.370 nan 0.000 0.456 4 K N -0.404 120.020 120.400 0.039 0.000 2.557 4 K HA 0.351 4.671 4.320 -0.000 0.000 0.257 4 K C -1.590 175.042 176.600 0.053 0.000 0.933 4 K CA -0.820 55.493 56.287 0.043 0.000 0.820 4 K CB 1.266 33.794 32.500 0.047 0.000 1.330 4 K HN 0.175 nan 8.250 nan 0.000 0.432 5 I N 0.472 121.067 120.570 0.042 0.000 2.785 5 I HA 0.545 4.715 4.170 -0.000 0.000 0.302 5 I C -1.121 175.013 176.117 0.028 0.000 1.069 5 I CA -1.062 60.261 61.300 0.039 0.000 1.045 5 I CB 2.199 40.222 38.000 0.038 0.000 1.236 5 I HN 0.203 nan 8.210 nan 0.000 0.429 6 V N 6.162 126.081 119.914 0.009 0.000 2.432 6 V HA 0.318 4.438 4.120 -0.000 0.000 0.275 6 V C 0.329 176.438 176.094 0.025 0.000 1.043 6 V CA -0.268 62.034 62.300 0.004 0.000 0.925 6 V CB 1.170 32.968 31.823 -0.042 0.000 0.985 6 V HN 0.503 nan 8.190 nan 0.000 0.466 7 I N 4.748 125.337 120.570 0.031 0.000 2.269 7 I HA 0.324 4.494 4.170 -0.000 0.000 0.293 7 I C 0.935 177.058 176.117 0.012 0.000 1.106 7 I CA -0.045 61.255 61.300 0.000 0.000 1.248 7 I CB 0.980 38.956 38.000 -0.040 0.000 1.444 7 I HN 0.671 nan 8.210 nan 0.000 0.497 8 A N 6.131 128.965 122.820 0.023 0.000 3.118 8 A HA 0.338 4.658 4.320 -0.000 0.000 0.256 8 A C 0.175 177.730 177.584 -0.049 0.000 1.667 8 A CA 0.012 52.066 52.037 0.028 0.000 1.338 8 A CB -0.571 18.493 19.000 0.106 0.000 1.127 8 A HN 0.780 nan 8.150 nan 0.000 0.634 9 N N 0.076 118.695 118.700 -0.135 0.000 3.449 9 N HA 0.430 5.170 4.740 -0.000 0.000 0.312 9 N C -0.996 174.237 175.510 -0.461 0.000 1.557 9 N CA -0.375 52.475 53.050 -0.334 0.000 0.864 9 N CB 1.249 39.572 38.487 -0.273 0.000 1.799 9 N HN 0.643 nan 8.380 nan 0.000 0.554 10 R N -0.978 119.189 120.500 -0.556 0.000 2.781 10 R HA 0.698 5.038 4.340 -0.000 0.000 0.268 10 R C 0.499 176.484 176.300 -0.524 0.000 1.047 10 R CA -0.083 55.705 56.100 -0.521 0.000 0.925 10 R CB 0.220 30.060 30.300 -0.768 0.000 1.246 10 R HN 0.691 nan 8.270 nan 0.000 0.456 11 G N 1.029 109.494 108.800 -0.558 0.000 2.566 11 G HA2 -0.456 3.504 3.960 -0.000 0.000 0.280 11 G HA3 -0.456 3.504 3.960 -0.000 0.000 0.280 11 G C 0.656 175.190 174.900 -0.610 0.000 1.225 11 G CA 1.031 45.564 45.100 -0.946 0.000 0.966 11 G HN 1.009 nan 8.290 nan 0.000 0.560 12 E N -0.298 119.710 120.200 -0.319 0.000 2.072 12 E HA 0.058 4.408 4.350 -0.000 0.000 0.191 12 E C 2.477 178.974 176.600 -0.171 0.000 0.985 12 E CA 2.032 58.379 56.400 -0.089 0.000 0.801 12 E CB -0.176 29.526 29.700 0.004 0.000 0.750 12 E HN 0.765 nan 8.360 nan 0.000 0.452 13 I N 0.925 121.353 120.570 -0.236 0.000 2.315 13 I HA -0.036 4.134 4.170 -0.000 0.000 0.248 13 I C 2.221 178.104 176.117 -0.389 0.000 1.117 13 I CA 1.214 62.340 61.300 -0.289 0.000 1.404 13 I CB -0.711 36.925 38.000 -0.607 0.000 1.071 13 I HN 0.242 nan 8.210 nan 0.000 0.419 14 A N 0.096 122.605 122.820 -0.518 0.000 1.908 14 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 14 A C 2.243 179.487 177.584 -0.566 0.000 1.181 14 A CA 2.014 53.625 52.037 -0.709 0.000 0.627 14 A CB -1.135 17.097 19.000 -1.281 0.000 0.818 14 A HN 0.481 nan 8.150 nan 0.000 0.445 15 L N -0.291 120.696 121.223 -0.393 0.000 2.056 15 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 15 L C 2.387 179.192 176.870 -0.109 0.000 1.078 15 L CA 2.452 57.209 54.840 -0.138 0.000 0.749 15 L CB -0.688 41.341 42.059 -0.050 0.000 0.901 15 L HN 0.421 nan 8.230 nan 0.000 0.433 16 R N 0.151 120.575 120.500 -0.127 0.000 2.096 16 R HA -0.171 4.169 4.340 -0.000 0.000 0.240 16 R C 2.137 178.376 176.300 -0.102 0.000 1.139 16 R CA 2.375 58.431 56.100 -0.073 0.000 0.952 16 R CB -0.856 29.433 30.300 -0.018 0.000 0.854 16 R HN 0.527 nan 8.270 nan 0.000 0.436 17 I N 0.166 120.615 120.570 -0.201 0.000 2.315 17 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 17 I C 2.300 178.339 176.117 -0.130 0.000 1.117 17 I CA 0.987 62.143 61.300 -0.240 0.000 1.404 17 I CB -0.278 37.454 38.000 -0.447 0.000 1.071 17 I HN 0.224 nan 8.210 nan 0.000 0.419 18 L N 0.834 121.996 121.223 -0.102 0.000 2.042 18 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 18 L C 2.786 179.648 176.870 -0.013 0.000 1.076 18 L CA 1.692 56.517 54.840 -0.026 0.000 0.749 18 L CB -0.305 41.772 42.059 0.030 0.000 0.893 18 L HN 0.089 nan 8.230 nan 0.000 0.432 19 R N -0.416 120.074 120.500 -0.017 0.000 2.081 19 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 19 R C 2.329 178.628 176.300 -0.002 0.000 1.131 19 R CA 1.320 57.419 56.100 -0.002 0.000 0.960 19 R CB -0.657 29.644 30.300 0.003 0.000 0.856 19 R HN 0.556 nan 8.270 nan 0.000 0.436 20 A N 0.765 123.578 122.820 -0.011 0.000 1.877 20 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 20 A C 2.454 180.038 177.584 -0.000 0.000 1.186 20 A CA 1.533 53.568 52.037 -0.004 0.000 0.620 20 A CB -0.922 18.072 19.000 -0.011 0.000 0.822 20 A HN 0.457 nan 8.150 nan 0.000 0.443 21 C N -0.704 118.592 119.300 -0.005 0.000 2.413 21 C HA -0.127 4.333 4.460 -0.000 0.000 0.277 21 C C 2.748 177.743 174.990 0.008 0.000 1.228 21 C CA 1.484 60.504 59.018 0.004 0.000 1.731 21 C CB -1.138 26.604 27.740 0.004 0.000 2.042 21 C HN 0.638 nan 8.230 nan 0.000 0.468 22 K N 0.539 120.943 120.400 0.007 0.000 2.063 22 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 22 K C 1.916 178.521 176.600 0.009 0.000 1.048 22 K CA 1.563 57.855 56.287 0.009 0.000 0.928 22 K CB -0.253 32.253 32.500 0.010 0.000 0.713 22 K HN 0.590 nan 8.250 nan 0.000 0.442 23 E N 0.545 120.751 120.200 0.009 0.000 2.118 23 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 23 E C 1.529 178.135 176.600 0.009 0.000 0.992 23 E CA 0.975 57.381 56.400 0.010 0.000 0.804 23 E CB -0.029 29.678 29.700 0.011 0.000 0.741 23 E HN 0.269 nan 8.360 nan 0.000 0.458 24 L N -0.442 120.786 121.223 0.009 0.000 2.611 24 L HA 0.180 4.520 4.340 -0.000 0.000 0.229 24 L C 1.173 178.048 176.870 0.009 0.000 1.137 24 L CA 0.156 55.001 54.840 0.008 0.000 0.901 24 L CB 0.139 42.203 42.059 0.009 0.000 1.098 24 L HN 0.254 nan 8.230 nan 0.000 0.456 25 G N 1.197 110.002 108.800 0.009 0.000 2.179 25 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.257 25 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.257 25 G C 0.204 175.111 174.900 0.011 0.000 1.010 25 G CA -0.057 45.049 45.100 0.009 0.000 0.736 25 G HN 0.340 nan 8.290 nan 0.000 0.513 26 I N 0.527 121.104 120.570 0.012 0.000 2.371 26 I HA 0.236 4.406 4.170 -0.000 0.000 0.290 26 I C 0.904 177.031 176.117 0.017 0.000 1.028 26 I CA -0.541 60.768 61.300 0.015 0.000 1.345 26 I CB 0.959 38.969 38.000 0.017 0.000 1.407 26 I HN -0.002 nan 8.210 nan 0.000 0.501 27 K N 4.181 124.593 120.400 0.019 0.000 2.355 27 K HA 0.239 4.559 4.320 -0.000 0.000 0.270 27 K C 0.059 176.674 176.600 0.024 0.000 1.003 27 K CA -0.149 56.150 56.287 0.020 0.000 0.957 27 K CB 0.617 33.130 32.500 0.022 0.000 0.939 27 K HN 0.667 nan 8.250 nan 0.000 0.482 28 T N -1.728 112.840 114.554 0.024 0.000 2.807 28 T HA 0.455 4.805 4.350 -0.000 0.000 0.279 28 T C -0.424 174.295 174.700 0.032 0.000 0.993 28 T CA -0.961 61.157 62.100 0.030 0.000 0.970 28 T CB 1.197 70.085 68.868 0.034 0.000 0.950 28 T HN 0.136 nan 8.240 nan 0.000 0.441 29 V N 2.472 122.408 119.914 0.037 0.000 2.378 29 V HA 0.695 4.815 4.120 -0.000 0.000 0.288 29 V C 0.364 176.491 176.094 0.056 0.000 1.016 29 V CA -0.997 61.324 62.300 0.036 0.000 0.840 29 V CB 1.107 32.945 31.823 0.025 0.000 0.994 29 V HN 1.225 nan 8.190 nan 0.000 0.431 30 A N 5.502 128.361 122.820 0.064 0.000 2.366 30 A HA 0.658 4.978 4.320 -0.000 0.000 0.322 30 A C -0.038 177.625 177.584 0.132 0.000 1.397 30 A CA -0.462 51.639 52.037 0.107 0.000 0.984 30 A CB 0.466 19.443 19.000 -0.038 0.000 1.149 30 A HN 1.173 nan 8.150 nan 0.000 0.540 31 V N 2.320 122.297 119.914 0.106 0.000 2.461 31 V HA 0.722 4.841 4.120 -0.000 0.000 0.275 31 V C -0.297 175.851 176.094 0.090 0.000 1.047 31 V CA -0.214 62.093 62.300 0.013 0.000 0.955 31 V CB -0.131 31.663 31.823 -0.048 0.000 0.988 31 V HN 1.028 nan 8.190 nan 0.000 0.471 32 H N 1.745 120.778 119.070 -0.062 0.000 2.980 32 H HA 0.806 5.362 4.556 -0.000 0.000 0.367 32 H C -0.027 175.146 175.328 -0.259 0.000 1.206 32 H CA -0.192 55.823 56.048 -0.055 0.000 1.126 32 H CB 1.171 30.947 29.762 0.023 0.000 1.838 32 H HN 0.883 nan 8.280 nan 0.000 0.552 33 S N 0.500 116.048 115.700 -0.253 0.000 2.608 33 S HA 0.067 4.536 4.470 -0.000 0.000 0.261 33 S C 1.302 175.951 174.600 0.082 0.000 1.314 33 S CA -0.103 57.968 58.200 -0.215 0.000 0.992 33 S CB 0.800 63.939 63.200 -0.102 0.000 0.935 33 S HN 1.033 nan 8.310 nan 0.000 0.564 34 S N 0.534 116.241 115.700 0.012 0.000 2.419 34 S HA -0.045 4.425 4.470 -0.000 0.000 0.233 34 S C 1.732 176.411 174.600 0.132 0.000 1.016 34 S CA 0.594 58.839 58.200 0.076 0.000 0.974 34 S CB -1.018 62.181 63.200 -0.002 0.000 0.786 34 S HN 1.135 nan 8.310 nan 0.000 0.492 35 A N 0.847 123.760 122.820 0.155 0.000 2.208 35 A HA 0.179 4.499 4.320 -0.000 0.000 0.209 35 A C 1.139 178.901 177.584 0.297 0.000 1.161 35 A CA 0.690 52.869 52.037 0.237 0.000 0.782 35 A CB -0.077 19.110 19.000 0.313 0.000 0.816 35 A HN 0.400 nan 8.150 nan 0.000 0.477 36 D N -0.898 119.674 120.400 0.286 0.000 2.559 36 D HA 0.170 4.810 4.640 -0.000 0.000 0.234 36 D C 1.424 177.757 176.300 0.056 0.000 1.226 36 D CA -0.071 54.078 54.000 0.250 0.000 0.830 36 D CB 0.089 41.062 40.800 0.289 0.000 1.028 36 D HN 0.339 nan 8.370 nan 0.000 0.492 37 R N 0.241 120.744 120.500 0.006 0.000 2.120 37 R HA -0.063 4.277 4.340 -0.000 0.000 0.234 37 R C 0.294 176.527 176.300 -0.111 0.000 1.123 37 R CA 0.910 56.885 56.100 -0.208 0.000 0.975 37 R CB 0.203 30.475 30.300 -0.047 0.000 0.866 37 R HN 0.032 nan 8.270 nan 0.000 0.446 38 D N 0.276 120.722 120.400 0.078 0.000 2.388 38 D HA 0.098 4.738 4.640 -0.000 0.000 0.221 38 D C 0.083 176.569 176.300 0.309 0.000 1.133 38 D CA 0.043 54.160 54.000 0.195 0.000 0.831 38 D CB 0.180 41.157 40.800 0.295 0.000 0.962 38 D HN 0.100 nan 8.370 nan 0.000 0.502 39 L N 1.221 122.555 121.223 0.185 0.000 2.490 39 L HA -0.009 4.331 4.340 -0.000 0.000 0.274 39 L C 2.033 178.949 176.870 0.076 0.000 1.201 39 L CA 0.075 55.003 54.840 0.147 0.000 0.869 39 L CB 0.990 43.105 42.059 0.093 0.000 1.123 39 L HN -0.105 nan 8.230 nan 0.000 0.484 40 K N 2.408 122.888 120.400 0.134 0.000 2.044 40 K HA -0.254 4.066 4.320 -0.000 0.000 0.210 40 K C 2.103 178.717 176.600 0.023 0.000 1.049 40 K CA 2.025 58.355 56.287 0.073 0.000 0.927 40 K CB -0.110 32.454 32.500 0.106 0.000 0.713 40 K HN 0.828 nan 8.250 nan 0.000 0.443 41 H N -0.408 118.645 119.070 -0.028 0.000 2.423 41 H HA -0.045 4.511 4.556 -0.000 0.000 0.297 41 H C 1.907 177.212 175.328 -0.039 0.000 1.075 41 H CA 1.318 57.341 56.048 -0.042 0.000 1.342 41 H CB -0.528 29.194 29.762 -0.066 0.000 1.395 41 H HN 0.072 nan 8.280 nan 0.000 0.530 42 V N 1.896 121.332 119.914 -0.798 0.000 2.343 42 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 42 V C 3.082 179.017 176.094 -0.265 0.000 1.051 42 V CA 1.652 63.609 62.300 -0.572 0.000 1.036 42 V CB -0.615 30.891 31.823 -0.528 0.000 0.654 42 V HN 0.291 nan 8.190 nan 0.000 0.451 43 L N -0.935 120.177 121.223 -0.185 0.000 2.275 43 L HA -0.089 4.251 4.340 -0.000 0.000 0.215 43 L C 2.091 178.911 176.870 -0.084 0.000 1.119 43 L CA 1.137 55.908 54.840 -0.114 0.000 0.790 43 L CB -0.325 41.674 42.059 -0.099 0.000 0.919 43 L HN 0.313 nan 8.230 nan 0.000 0.443 44 L N -0.747 120.431 121.223 -0.075 0.000 2.529 44 L HA 0.217 4.557 4.340 -0.000 0.000 0.223 44 L C 1.363 178.217 176.870 -0.027 0.000 1.113 44 L CA -0.471 54.346 54.840 -0.037 0.000 0.861 44 L CB -0.170 41.882 42.059 -0.011 0.000 1.012 44 L HN 0.094 nan 8.230 nan 0.000 0.461 45 A N 0.034 122.826 122.820 -0.046 0.000 2.366 45 A HA 0.042 4.362 4.320 -0.000 0.000 0.249 45 A C 0.728 178.304 177.584 -0.012 0.000 1.084 45 A CA -0.259 51.767 52.037 -0.019 0.000 0.794 45 A CB 0.251 19.233 19.000 -0.030 0.000 1.034 45 A HN 0.152 nan 8.150 nan 0.000 0.491 46 D N 0.267 120.668 120.400 0.002 0.000 2.144 46 D HA -0.018 4.622 4.640 -0.000 0.000 0.200 46 D C 0.276 176.579 176.300 0.005 0.000 0.978 46 D CA 1.416 55.419 54.000 0.004 0.000 0.833 46 D CB 0.273 41.080 40.800 0.011 0.000 0.961 46 D HN 0.727 nan 8.370 nan 0.000 0.470 47 E N -0.724 119.482 120.200 0.010 0.000 2.367 47 E HA 0.398 4.748 4.350 -0.000 0.000 0.273 47 E C -0.759 175.853 176.600 0.021 0.000 0.903 47 E CA -0.568 55.841 56.400 0.015 0.000 0.764 47 E CB 2.585 32.296 29.700 0.019 0.000 1.252 47 E HN -0.039 nan 8.360 nan 0.000 0.446 48 T N -1.742 112.833 114.554 0.034 0.000 2.893 48 T HA 0.689 5.039 4.350 -0.000 0.000 0.293 48 T C -0.819 173.920 174.700 0.065 0.000 1.027 48 T CA -0.702 61.446 62.100 0.080 0.000 0.988 48 T CB 1.265 70.198 68.868 0.108 0.000 1.043 48 T HN 0.142 nan 8.240 nan 0.000 0.461 49 V N 1.744 121.672 119.914 0.024 0.000 2.623 49 V HA 0.448 4.568 4.120 -0.000 0.000 0.304 49 V C 0.140 176.012 176.094 -0.371 0.000 1.054 49 V CA -1.188 61.054 62.300 -0.098 0.000 0.882 49 V CB 1.593 33.366 31.823 -0.083 0.000 1.002 49 V HN 1.290 nan 8.190 nan 0.000 0.424 50 C N 6.747 125.783 119.300 -0.441 0.000 2.464 50 C HA 0.449 4.909 4.460 -0.000 0.000 0.370 50 C C 1.666 176.427 174.990 -0.382 0.000 1.267 50 C CA -0.287 58.332 59.018 -0.665 0.000 1.781 50 C CB -1.310 26.209 27.740 -0.369 0.000 2.431 50 C HN 0.883 nan 8.230 nan 0.000 0.556 51 I N 4.323 124.648 120.570 -0.408 0.000 3.883 51 I HA 0.516 4.686 4.170 -0.000 0.000 0.326 51 I C 0.859 176.818 176.117 -0.265 0.000 1.283 51 I CA 0.451 61.576 61.300 -0.293 0.000 1.161 51 I CB -0.470 37.354 38.000 -0.294 0.000 1.012 51 I HN 0.764 nan 8.210 nan 0.000 0.421 52 G N 1.340 109.977 108.800 -0.272 0.000 2.320 52 G HA2 0.252 4.211 3.960 -0.000 0.000 0.297 52 G HA3 0.252 4.211 3.960 -0.000 0.000 0.297 52 G C -3.318 171.468 174.900 -0.191 0.000 1.344 52 G CA -0.746 44.228 45.100 -0.209 0.000 0.851 52 G HN -0.120 nan 8.290 nan 0.000 0.567 53 P HA 0.397 nan 4.420 nan 0.000 0.277 53 P C 1.240 178.436 177.300 -0.173 0.000 1.276 53 P CA 0.729 63.745 63.100 -0.141 0.000 0.788 53 P CB 0.756 32.383 31.700 -0.121 0.000 1.114 54 A N 0.117 122.787 122.820 -0.250 0.000 1.892 54 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 54 A C -1.113 176.293 177.584 -0.297 0.000 1.188 54 A CA 1.542 53.333 52.037 -0.410 0.000 0.631 54 A CB -2.661 15.666 19.000 -1.121 0.000 0.822 54 A HN 0.539 nan 8.150 nan 0.000 0.447 55 P HA 0.181 nan 4.420 nan 0.000 0.267 55 P C 0.594 177.939 177.300 0.075 0.000 1.205 55 P CA 0.321 63.377 63.100 -0.072 0.000 0.765 55 P CB 0.973 32.639 31.700 -0.056 0.000 0.828 56 S N 2.346 118.205 115.700 0.265 0.000 2.387 56 S HA -0.166 4.304 4.470 -0.000 0.000 0.230 56 S C 1.816 176.508 174.600 0.152 0.000 1.035 56 S CA 1.864 60.277 58.200 0.355 0.000 1.014 56 S CB -1.079 62.482 63.200 0.602 0.000 0.836 56 S HN 0.556 nan 8.310 nan 0.000 0.466 57 V N 0.193 120.175 119.914 0.114 0.000 2.568 57 V HA -0.096 4.024 4.120 -0.000 0.000 0.253 57 V C 1.577 177.667 176.094 -0.006 0.000 1.072 57 V CA 1.610 63.943 62.300 0.055 0.000 1.084 57 V CB -0.619 31.232 31.823 0.047 0.000 0.676 57 V HN 0.380 nan 8.190 nan 0.000 0.469 58 K N 0.563 120.942 120.400 -0.035 0.000 2.367 58 K HA 0.193 4.513 4.320 -0.000 0.000 0.194 58 K C 1.746 178.258 176.600 -0.146 0.000 1.027 58 K CA 0.835 57.075 56.287 -0.079 0.000 1.075 58 K CB 0.474 32.927 32.500 -0.078 0.000 0.845 58 K HN 0.777 nan 8.250 nan 0.000 0.529 59 S N -0.684 114.897 115.700 -0.198 0.000 3.386 59 S HA 0.022 4.492 4.470 -0.000 0.000 0.181 59 S C 1.545 175.871 174.600 -0.457 0.000 0.763 59 S CA -0.327 57.633 58.200 -0.400 0.000 0.847 59 S CB -0.651 62.193 63.200 -0.593 0.000 0.980 59 S HN 0.081 nan 8.310 nan 0.000 0.676 60 Y N 2.217 122.345 120.300 -0.286 0.000 2.497 60 Y HA 0.362 4.912 4.550 -0.000 0.000 0.292 60 Y C 1.736 177.410 175.900 -0.377 0.000 1.137 60 Y CA 0.426 58.210 58.100 -0.528 0.000 1.285 60 Y CB -0.484 37.230 38.460 -1.243 0.000 0.991 60 Y HN 0.231 nan 8.280 nan 0.000 0.556 61 L N -0.239 120.935 121.223 -0.081 0.000 2.769 61 L HA 0.143 4.483 4.340 -0.000 0.000 0.240 61 L C 0.490 177.292 176.870 -0.114 0.000 1.163 61 L CA -0.123 54.681 54.840 -0.059 0.000 0.962 61 L CB -0.032 42.064 42.059 0.061 0.000 1.258 61 L HN 0.005 nan 8.230 nan 0.000 0.513 62 N N 1.403 120.014 118.700 -0.148 0.000 2.602 62 N HA 0.192 4.932 4.740 -0.000 0.000 0.238 62 N C 0.977 176.414 175.510 -0.122 0.000 1.084 62 N CA 0.080 53.058 53.050 -0.120 0.000 0.952 62 N CB 0.679 39.087 38.487 -0.131 0.000 1.244 62 N HN 0.185 nan 8.380 nan 0.000 0.512 63 I N 3.961 124.480 120.570 -0.085 0.000 2.142 63 I HA -0.165 4.005 4.170 -0.000 0.000 0.240 63 I C -0.689 175.464 176.117 0.059 0.000 1.078 63 I CA 0.961 62.261 61.300 -0.001 0.000 1.343 63 I CB -0.956 37.107 38.000 0.105 0.000 1.046 63 I HN 0.391 nan 8.210 nan 0.000 0.405 64 P HA -0.195 nan 4.420 nan 0.000 0.216 64 P C 1.469 178.770 177.300 0.002 0.000 1.153 64 P CA 1.940 65.055 63.100 0.026 0.000 0.858 64 P CB -0.052 31.653 31.700 0.009 0.000 0.789 65 A N -0.888 121.910 122.820 -0.036 0.000 1.902 65 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 65 A C 2.227 179.772 177.584 -0.065 0.000 1.181 65 A CA 1.454 53.452 52.037 -0.065 0.000 0.623 65 A CB -1.578 17.355 19.000 -0.112 0.000 0.818 65 A HN 0.116 nan 8.150 nan 0.000 0.443 66 I N -0.560 119.976 120.570 -0.057 0.000 2.202 66 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 66 I C 2.290 178.391 176.117 -0.027 0.000 1.091 66 I CA 1.207 62.484 61.300 -0.038 0.000 1.368 66 I CB -0.266 37.728 38.000 -0.009 0.000 1.058 66 I HN 0.276 nan 8.210 nan 0.000 0.410 67 I N -0.138 120.445 120.570 0.022 0.000 2.226 67 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 67 I C 2.768 178.891 176.117 0.011 0.000 1.100 67 I CA 1.406 62.694 61.300 -0.019 0.000 1.374 67 I CB -0.282 37.770 38.000 0.087 0.000 1.057 67 I HN 0.212 nan 8.210 nan 0.000 0.413 68 S N 0.504 116.218 115.700 0.023 0.000 2.382 68 S HA -0.192 4.278 4.470 -0.000 0.000 0.228 68 S C 2.188 176.796 174.600 0.014 0.000 1.027 68 S CA 1.454 59.671 58.200 0.030 0.000 0.991 68 S CB -0.188 63.017 63.200 0.008 0.000 0.823 68 S HN 0.469 nan 8.310 nan 0.000 0.469 69 A N 1.271 124.077 122.820 -0.024 0.000 1.898 69 A HA 0.277 4.597 4.320 -0.000 0.000 0.216 69 A C 2.484 180.057 177.584 -0.019 0.000 1.181 69 A CA 1.707 53.725 52.037 -0.031 0.000 0.620 69 A CB -1.385 17.578 19.000 -0.062 0.000 0.819 69 A HN 0.773 nan 8.150 nan 0.000 0.442 70 A N -0.137 122.638 122.820 -0.075 0.000 1.940 70 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 70 A C 1.913 179.599 177.584 0.169 0.000 1.176 70 A CA 1.751 53.721 52.037 -0.111 0.000 0.631 70 A CB -0.493 18.108 19.000 -0.666 0.000 0.814 70 A HN 0.655 nan 8.150 nan 0.000 0.446 71 E N -0.697 119.646 120.200 0.238 0.000 2.028 71 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 71 E C 1.952 178.634 176.600 0.137 0.000 0.988 71 E CA 1.178 57.741 56.400 0.271 0.000 0.799 71 E CB -0.248 29.577 29.700 0.208 0.000 0.755 71 E HN 0.674 nan 8.360 nan 0.000 0.447 72 I N 1.378 121.998 120.570 0.083 0.000 2.493 72 I HA -0.197 3.973 4.170 -0.000 0.000 0.254 72 I C 2.146 178.290 176.117 0.046 0.000 1.160 72 I CA 1.448 62.778 61.300 0.050 0.000 1.445 72 I CB 0.010 38.026 38.000 0.027 0.000 1.086 72 I HN 0.193 nan 8.210 nan 0.000 0.433 73 T N -2.477 112.110 114.554 0.054 0.000 3.100 73 T HA 0.209 4.559 4.350 -0.000 0.000 0.253 73 T C 1.457 176.195 174.700 0.064 0.000 1.118 73 T CA 0.375 62.504 62.100 0.048 0.000 1.058 73 T CB 0.079 68.970 68.868 0.038 0.000 0.953 73 T HN 0.532 nan 8.240 nan 0.000 0.515 74 G N 1.488 110.343 108.800 0.091 0.000 2.198 74 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.260 74 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.260 74 G C 0.302 175.274 174.900 0.120 0.000 1.025 74 G CA -0.019 45.137 45.100 0.093 0.000 0.769 74 G HN 1.156 nan 8.290 nan 0.000 0.507 75 A N -0.933 121.991 122.820 0.173 0.000 2.386 75 A HA 0.709 5.029 4.320 -0.000 0.000 0.246 75 A C 1.670 179.434 177.584 0.300 0.000 1.089 75 A CA 0.768 52.916 52.037 0.184 0.000 0.790 75 A CB 0.809 19.884 19.000 0.124 0.000 1.042 75 A HN 1.626 nan 8.150 nan 0.000 0.497 76 V N -2.931 117.122 119.914 0.231 0.000 3.556 76 V HA 0.641 4.761 4.120 -0.000 0.000 0.287 76 V C 0.526 176.796 176.094 0.295 0.000 1.422 76 V CA 0.756 63.196 62.300 0.233 0.000 1.038 76 V CB -0.961 30.916 31.823 0.090 0.000 0.850 76 V HN 1.672 nan 8.190 nan 0.000 0.437 77 A N 0.140 123.092 122.820 0.220 0.000 2.594 77 A HA 0.889 5.209 4.320 -0.000 0.000 0.291 77 A C -1.331 176.262 177.584 0.015 0.000 1.105 77 A CA -0.640 51.466 52.037 0.115 0.000 0.694 77 A CB 1.804 20.831 19.000 0.046 0.000 1.291 77 A HN 0.283 nan 8.150 nan 0.000 0.410 78 I N 1.703 122.250 120.570 -0.038 0.000 2.478 78 I HA 0.290 4.460 4.170 -0.000 0.000 0.287 78 I C -1.031 175.033 176.117 -0.087 0.000 1.042 78 I CA -0.493 60.779 61.300 -0.048 0.000 1.067 78 I CB 1.979 39.950 38.000 -0.048 0.000 1.233 78 I HN 0.735 nan 8.210 nan 0.000 0.431 79 H N 8.714 127.714 119.070 -0.117 0.000 2.556 79 H HA 0.351 4.907 4.556 0.000 0.000 0.310 79 H C -2.101 173.165 175.328 -0.104 0.000 1.057 79 H CA -2.259 53.688 56.048 -0.168 0.000 1.264 79 H CB 1.985 31.663 29.762 -0.140 0.000 1.404 79 H HN 0.317 nan 8.280 nan 0.000 0.462 80 P HA 0.101 nan 4.420 nan 0.000 0.255 80 P C 0.853 178.248 177.300 0.157 0.000 1.248 80 P CA 0.912 64.133 63.100 0.203 0.000 0.807 80 P CB 0.705 32.577 31.700 0.288 0.000 1.150 81 G N 1.110 110.046 108.800 0.225 0.000 2.574 81 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.286 81 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.286 81 G C -0.556 174.375 174.900 0.053 0.000 1.212 81 G CA 0.530 45.608 45.100 -0.037 0.000 0.979 81 G HN 0.450 nan 8.290 nan 0.000 0.557 82 Y N -1.152 119.180 120.300 0.055 0.000 2.598 82 Y HA 0.699 5.249 4.550 -0.000 0.000 0.340 82 Y C 1.030 176.927 175.900 -0.006 0.000 1.038 82 Y CA -0.465 57.656 58.100 0.034 0.000 1.100 82 Y CB 0.821 39.286 38.460 0.009 0.000 1.281 82 Y HN 2.541 nan 8.280 nan 0.000 0.488 83 G N 1.461 110.401 108.800 0.234 0.000 2.575 83 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.267 83 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.267 83 G C 0.191 175.117 174.900 0.044 0.000 1.264 83 G CA 0.537 45.648 45.100 0.017 0.000 0.935 83 G HN 1.288 nan 8.290 nan 0.000 0.568 84 F N -1.887 118.092 119.950 0.049 0.000 2.944 84 F HA -0.327 4.200 4.527 -0.000 0.000 0.240 84 F C 2.287 178.097 175.800 0.017 0.000 1.478 84 F CA 2.277 60.288 58.000 0.017 0.000 1.867 84 F CB -1.136 37.846 39.000 -0.030 0.000 0.505 84 F HN 0.426 nan 8.300 nan 0.000 0.300 85 L N 0.398 121.750 121.223 0.216 0.000 2.667 85 L HA 0.119 4.459 4.340 -0.000 0.000 0.232 85 L C 1.890 178.951 176.870 0.318 0.000 1.138 85 L CA 0.603 55.506 54.840 0.105 0.000 0.921 85 L CB -0.218 41.625 42.059 -0.361 0.000 1.180 85 L HN 0.522 nan 8.230 nan 0.000 0.487 86 S N -0.474 115.411 115.700 0.309 0.000 2.419 86 S HA -0.141 4.329 4.470 -0.000 0.000 0.233 86 S C 1.199 176.011 174.600 0.353 0.000 1.016 86 S CA 0.892 59.310 58.200 0.364 0.000 0.974 86 S CB -0.104 63.244 63.200 0.247 0.000 0.786 86 S HN 0.550 nan 8.310 nan 0.000 0.492 87 E N 1.183 121.529 120.200 0.244 0.000 2.736 87 E HA 0.248 4.598 4.350 -0.000 0.000 0.208 87 E C -0.714 175.970 176.600 0.140 0.000 0.996 87 E CA -0.318 56.191 56.400 0.182 0.000 1.104 87 E CB 0.233 30.013 29.700 0.134 0.000 1.111 87 E HN 0.332 nan 8.360 nan 0.000 0.455 88 N N 1.112 119.914 118.700 0.170 0.000 2.527 88 N HA 0.161 4.901 4.740 -0.000 0.000 0.236 88 N C 0.534 176.087 175.510 0.073 0.000 0.999 88 N CA 0.001 53.129 53.050 0.129 0.000 0.935 88 N CB 1.351 39.931 38.487 0.156 0.000 1.132 88 N HN 0.120 nan 8.380 nan 0.000 0.511 89 A N 4.294 127.125 122.820 0.018 0.000 1.933 89 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 89 A C 1.780 179.323 177.584 -0.068 0.000 1.175 89 A CA 1.123 53.127 52.037 -0.055 0.000 0.628 89 A CB -0.192 18.791 19.000 -0.028 0.000 0.814 89 A HN 0.695 nan 8.150 nan 0.000 0.444 90 N N -1.000 117.701 118.700 0.002 0.000 2.244 90 N HA -0.121 4.619 4.740 -0.000 0.000 0.183 90 N C 1.453 176.991 175.510 0.046 0.000 1.016 90 N CA 1.354 54.413 53.050 0.016 0.000 0.866 90 N CB -0.585 37.929 38.487 0.044 0.000 0.980 90 N HN 0.664 nan 8.380 nan 0.000 0.430 91 F N 1.649 121.543 119.950 -0.094 0.000 2.084 91 F HA -0.119 4.408 4.527 -0.000 0.000 0.296 91 F C 2.274 177.940 175.800 -0.224 0.000 1.111 91 F CA 1.230 59.171 58.000 -0.097 0.000 1.224 91 F CB -0.058 38.925 39.000 -0.030 0.000 0.991 91 F HN 0.026 nan 8.300 nan 0.000 0.471 92 A N 0.091 122.536 122.820 -0.625 0.000 1.908 92 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 92 A C 2.155 179.395 177.584 -0.574 0.000 1.181 92 A CA 2.005 53.353 52.037 -1.148 0.000 0.627 92 A CB -1.118 17.069 19.000 -1.354 0.000 0.818 92 A HN 0.625 nan 8.150 nan 0.000 0.445 93 E N -0.827 119.173 120.200 -0.332 0.000 2.038 93 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 93 E C 2.154 178.670 176.600 -0.140 0.000 1.000 93 E CA 1.409 57.699 56.400 -0.184 0.000 0.803 93 E CB -0.162 29.472 29.700 -0.110 0.000 0.750 93 E HN 0.568 nan 8.360 nan 0.000 0.448 94 Q N 0.237 119.963 119.800 -0.122 0.000 2.084 94 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 94 Q C 2.442 178.408 176.000 -0.057 0.000 0.978 94 Q CA 1.151 56.921 55.803 -0.055 0.000 0.844 94 Q CB -0.514 28.232 28.738 0.014 0.000 0.898 94 Q HN 0.269 nan 8.270 nan 0.000 0.426 95 V N 1.622 121.415 119.914 -0.201 0.000 2.255 95 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 95 V C 2.198 178.337 176.094 0.074 0.000 1.051 95 V CA 2.104 64.338 62.300 -0.111 0.000 1.018 95 V CB -0.520 31.095 31.823 -0.346 0.000 0.641 95 V HN 0.414 nan 8.190 nan 0.000 0.445 96 E N -0.462 119.720 120.200 -0.030 0.000 2.106 96 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 96 E C 2.459 179.051 176.600 -0.014 0.000 0.984 96 E CA 0.803 57.200 56.400 -0.004 0.000 0.806 96 E CB -0.169 29.505 29.700 -0.044 0.000 0.750 96 E HN 0.526 nan 8.360 nan 0.000 0.458 97 R N 0.430 120.917 120.500 -0.022 0.000 2.120 97 R HA -0.017 4.322 4.340 -0.000 0.000 0.234 97 R C 2.113 178.403 176.300 -0.017 0.000 1.123 97 R CA 0.941 57.029 56.100 -0.021 0.000 0.975 97 R CB -0.075 30.213 30.300 -0.019 0.000 0.866 97 R HN -0.027 nan 8.270 nan 0.000 0.446 98 S N -0.577 115.138 115.700 0.025 0.000 2.607 98 S HA 0.073 4.543 4.470 -0.000 0.000 0.224 98 S C 1.159 175.626 174.600 -0.222 0.000 0.969 98 S CA 0.728 58.929 58.200 0.001 0.000 0.927 98 S CB 0.628 63.966 63.200 0.229 0.000 0.772 98 S HN 0.685 nan 8.310 nan 0.000 0.533 99 G N 0.727 109.432 108.800 -0.159 0.000 2.157 99 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.248 99 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.248 99 G C -0.008 174.731 174.900 -0.269 0.000 0.979 99 G CA -0.314 44.649 45.100 -0.227 0.000 0.650 99 G HN 0.442 nan 8.290 nan 0.000 0.529 100 F N 0.545 120.480 119.950 -0.026 0.000 2.370 100 F HA 0.625 5.151 4.527 -0.000 0.000 0.324 100 F C 1.366 177.157 175.800 -0.016 0.000 1.116 100 F CA -0.975 57.013 58.000 -0.019 0.000 1.123 100 F CB 0.689 39.679 39.000 -0.018 0.000 1.238 100 F HN -0.060 nan 8.300 nan 0.000 0.536 101 I N 2.706 123.393 120.570 0.193 0.000 2.396 101 I HA 0.047 4.217 4.170 -0.000 0.000 0.289 101 I C -0.437 175.738 176.117 0.097 0.000 1.056 101 I CA -0.214 61.147 61.300 0.101 0.000 1.365 101 I CB 0.367 38.392 38.000 0.041 0.000 1.407 101 I HN 0.430 nan 8.210 nan 0.000 0.509 102 F N 7.871 127.779 119.950 -0.070 0.000 2.421 102 F HA 0.372 4.899 4.527 -0.000 0.000 0.358 102 F C 0.441 176.159 175.800 -0.136 0.000 1.115 102 F CA -0.439 57.483 58.000 -0.130 0.000 1.160 102 F CB 0.471 39.369 39.000 -0.170 0.000 1.123 102 F HN 0.302 nan 8.300 nan 0.000 0.508 103 I N 7.448 127.596 120.570 -0.703 0.000 2.270 103 I HA 0.356 4.526 4.170 -0.000 0.000 0.300 103 I C 0.645 176.259 176.117 -0.838 0.000 1.186 103 I CA 0.352 61.269 61.300 -0.638 0.000 1.431 103 I CB -0.989 36.638 38.000 -0.622 0.000 1.485 103 I HN 0.806 nan 8.210 nan 0.000 0.650 104 G N 6.204 114.689 108.800 -0.525 0.000 2.325 104 G HA2 0.306 4.266 3.960 -0.000 0.000 0.295 104 G HA3 0.306 4.266 3.960 -0.000 0.000 0.295 104 G C -3.319 171.560 174.900 -0.035 0.000 1.274 104 G CA -0.679 44.250 45.100 -0.285 0.000 0.857 104 G HN 0.103 nan 8.290 nan 0.000 0.499 105 P HA 0.357 nan 4.420 nan 0.000 0.279 105 P C -0.486 176.820 177.300 0.010 0.000 1.276 105 P CA -0.471 62.536 63.100 -0.155 0.000 0.801 105 P CB 0.588 32.089 31.700 -0.333 0.000 1.127 106 K N -0.122 120.240 120.400 -0.064 0.000 2.319 106 K HA 0.269 4.588 4.320 -0.000 0.000 0.265 106 K C 1.452 177.999 176.600 -0.088 0.000 1.000 106 K CA -0.129 56.121 56.287 -0.063 0.000 0.943 106 K CB 0.053 32.520 32.500 -0.055 0.000 0.950 106 K HN 0.366 nan 8.250 nan 0.000 0.485 107 A N 2.677 125.413 122.820 -0.139 0.000 1.940 107 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 107 A C 1.944 179.489 177.584 -0.066 0.000 1.176 107 A CA 1.734 53.687 52.037 -0.141 0.000 0.631 107 A CB -0.480 18.425 19.000 -0.157 0.000 0.814 107 A HN 0.913 nan 8.150 nan 0.000 0.446 108 E N -0.890 119.281 120.200 -0.048 0.000 2.049 108 E HA -0.184 4.166 4.350 -0.000 0.000 0.198 108 E C 2.120 178.720 176.600 0.000 0.000 1.007 108 E CA 1.967 58.355 56.400 -0.021 0.000 0.809 108 E CB -0.358 29.333 29.700 -0.016 0.000 0.749 108 E HN 0.655 nan 8.360 nan 0.000 0.450 109 T N 1.027 115.585 114.554 0.006 0.000 2.777 109 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 109 T C 1.968 176.708 174.700 0.066 0.000 1.040 109 T CA 0.885 63.014 62.100 0.048 0.000 1.141 109 T CB -0.185 68.713 68.868 0.050 0.000 0.868 109 T HN 0.115 nan 8.240 nan 0.000 0.444 110 I N 0.815 121.409 120.570 0.041 0.000 2.208 110 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 110 I C 2.845 178.988 176.117 0.042 0.000 1.097 110 I CA 1.378 62.710 61.300 0.054 0.000 1.363 110 I CB -0.363 37.653 38.000 0.027 0.000 1.051 110 I HN 0.152 nan 8.210 nan 0.000 0.413 111 R N 0.229 120.742 120.500 0.021 0.000 2.073 111 R HA -0.189 4.151 4.340 -0.000 0.000 0.234 111 R C 2.325 178.642 176.300 0.027 0.000 1.134 111 R CA 1.342 57.454 56.100 0.021 0.000 0.952 111 R CB -0.658 29.647 30.300 0.008 0.000 0.850 111 R HN 0.219 nan 8.270 nan 0.000 0.433 112 L N 0.676 121.916 121.223 0.028 0.000 1.990 112 L HA -0.169 4.171 4.340 -0.000 0.000 0.213 112 L C 1.924 178.815 176.870 0.036 0.000 1.072 112 L CA 1.922 56.779 54.840 0.028 0.000 0.755 112 L CB -0.219 41.859 42.059 0.031 0.000 0.889 112 L HN 0.151 nan 8.230 nan 0.000 0.432 113 M N -1.149 118.483 119.600 0.053 0.000 2.561 113 M HA 0.190 4.670 4.480 -0.000 0.000 0.238 113 M C 1.903 178.241 176.300 0.063 0.000 1.131 113 M CA 0.821 56.158 55.300 0.062 0.000 1.046 113 M CB -1.338 31.297 32.600 0.059 0.000 1.532 113 M HN 0.381 nan 8.290 nan 0.000 0.497 114 G N -0.198 108.635 108.800 0.055 0.000 2.545 114 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.212 114 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.212 114 G C 0.133 175.063 174.900 0.050 0.000 1.144 114 G CA -0.078 45.054 45.100 0.054 0.000 0.813 114 G HN 0.375 nan 8.290 nan 0.000 0.531 115 D N 0.278 120.702 120.400 0.040 0.000 2.344 115 D HA 0.230 4.870 4.640 -0.000 0.000 0.253 115 D C 1.528 177.840 176.300 0.019 0.000 1.255 115 D CA -0.082 53.940 54.000 0.035 0.000 0.894 115 D CB 0.738 41.553 40.800 0.024 0.000 1.067 115 D HN 0.050 nan 8.370 nan 0.000 0.492 116 K N 2.047 122.464 120.400 0.028 0.000 2.160 116 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 116 K C 1.661 178.138 176.600 -0.206 0.000 1.047 116 K CA 0.815 57.089 56.287 -0.023 0.000 0.930 116 K CB 0.125 32.670 32.500 0.075 0.000 0.720 116 K HN 0.338 nan 8.250 nan 0.000 0.450 117 V N 1.284 121.059 119.914 -0.232 0.000 2.270 117 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 117 V C 2.483 178.502 176.094 -0.125 0.000 1.043 117 V CA 2.233 64.374 62.300 -0.266 0.000 1.014 117 V CB -0.595 31.152 31.823 -0.126 0.000 0.645 117 V HN 0.441 nan 8.190 nan 0.000 0.447 118 S N 1.026 116.691 115.700 -0.058 0.000 2.402 118 S HA -0.116 4.354 4.470 -0.000 0.000 0.229 118 S C 2.060 176.644 174.600 -0.027 0.000 1.021 118 S CA 1.300 59.482 58.200 -0.031 0.000 0.974 118 S CB -0.479 62.715 63.200 -0.010 0.000 0.800 118 S HN 0.560 nan 8.310 nan 0.000 0.484 119 A N 2.246 125.062 122.820 -0.006 0.000 1.858 119 A HA 0.104 4.424 4.320 -0.000 0.000 0.216 119 A C 2.239 179.813 177.584 -0.018 0.000 1.190 119 A CA 1.474 53.528 52.037 0.029 0.000 0.617 119 A CB -0.930 18.156 19.000 0.144 0.000 0.827 119 A HN 0.554 nan 8.150 nan 0.000 0.443 120 I N -0.150 120.446 120.570 0.044 0.000 2.264 120 I HA -0.309 3.861 4.170 -0.000 0.000 0.248 120 I C 2.937 179.018 176.117 -0.059 0.000 1.111 120 I CA 1.090 62.411 61.300 0.034 0.000 1.382 120 I CB -0.267 37.734 38.000 0.001 0.000 1.060 120 I HN 0.379 nan 8.210 nan 0.000 0.418 121 A N 0.573 123.355 122.820 -0.063 0.000 1.898 121 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 121 A C 2.530 180.076 177.584 -0.063 0.000 1.181 121 A CA 1.701 53.707 52.037 -0.052 0.000 0.620 121 A CB -0.821 18.154 19.000 -0.041 0.000 0.819 121 A HN 0.419 nan 8.150 nan 0.000 0.442 122 A N -1.230 121.546 122.820 -0.073 0.000 1.972 122 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 122 A C 2.137 179.647 177.584 -0.123 0.000 1.169 122 A CA 1.843 53.834 52.037 -0.076 0.000 0.635 122 A CB -0.411 18.556 19.000 -0.055 0.000 0.810 122 A HN 0.423 nan 8.150 nan 0.000 0.446 123 M N -0.703 118.767 119.600 -0.216 0.000 2.193 123 M HA -0.016 4.464 4.480 -0.000 0.000 0.265 123 M C 2.056 178.247 176.300 -0.183 0.000 1.071 123 M CA 1.556 56.666 55.300 -0.317 0.000 1.140 123 M CB -1.034 31.125 32.600 -0.735 0.000 1.369 123 M HN 0.500 nan 8.290 nan 0.000 0.423 124 K N 0.426 120.756 120.400 -0.117 0.000 2.147 124 K HA -0.182 4.138 4.320 -0.000 0.000 0.205 124 K C 2.057 178.630 176.600 -0.044 0.000 1.049 124 K CA 1.240 57.497 56.287 -0.050 0.000 0.936 124 K CB 0.050 32.540 32.500 -0.016 0.000 0.722 124 K HN 0.149 nan 8.250 nan 0.000 0.446 125 K N -0.173 120.196 120.400 -0.052 0.000 2.148 125 K HA -0.059 4.261 4.320 -0.000 0.000 0.204 125 K C 1.454 178.026 176.600 -0.046 0.000 1.050 125 K CA 1.115 57.378 56.287 -0.040 0.000 0.942 125 K CB 0.002 32.481 32.500 -0.036 0.000 0.724 125 K HN 0.173 nan 8.250 nan 0.000 0.446 126 A N -0.052 122.727 122.820 -0.068 0.000 2.251 126 A HA 0.212 4.532 4.320 -0.000 0.000 0.209 126 A C 1.214 178.748 177.584 -0.083 0.000 1.187 126 A CA 0.746 52.738 52.037 -0.075 0.000 0.823 126 A CB -0.257 18.687 19.000 -0.094 0.000 0.846 126 A HN 0.512 nan 8.150 nan 0.000 0.486 127 G N -1.448 107.312 108.800 -0.066 0.000 2.159 127 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.256 127 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.256 127 G C 0.197 175.059 174.900 -0.063 0.000 0.977 127 G CA 0.170 45.239 45.100 -0.051 0.000 0.652 127 G HN 0.769 nan 8.290 nan 0.000 0.531 128 V N 3.214 123.070 119.914 -0.096 0.000 2.508 128 V HA 0.397 4.517 4.120 -0.000 0.000 0.281 128 V C -1.041 175.071 176.094 0.030 0.000 1.041 128 V CA -1.013 61.241 62.300 -0.077 0.000 1.016 128 V CB 1.213 32.934 31.823 -0.170 0.000 0.984 128 V HN 0.280 nan 8.190 nan 0.000 0.478 129 P HA 0.283 nan 4.420 nan 0.000 0.276 129 P C -0.712 176.774 177.300 0.311 0.000 1.230 129 P CA -0.173 63.034 63.100 0.180 0.000 0.776 129 P CB 0.900 32.689 31.700 0.149 0.000 0.888 130 C N 1.933 121.414 119.300 0.301 0.000 2.822 130 C HA 0.463 4.923 4.460 -0.000 0.000 0.341 130 C C 0.432 175.664 174.990 0.404 0.000 1.301 130 C CA -0.677 58.569 59.018 0.380 0.000 1.706 130 C CB 1.855 29.762 27.740 0.278 0.000 2.178 130 C HN 0.348 nan 8.230 nan 0.000 0.481 131 V N 2.944 123.057 119.914 0.331 0.000 2.572 131 V HA 0.169 4.289 4.120 -0.000 0.000 0.291 131 V C -2.030 174.141 176.094 0.129 0.000 1.039 131 V CA -0.614 61.796 62.300 0.183 0.000 1.055 131 V CB 0.209 32.090 31.823 0.097 0.000 0.969 131 V HN 0.757 nan 8.190 nan 0.000 0.482 132 P HA 0.336 nan 4.420 nan 0.000 0.262 132 P C 0.259 177.588 177.300 0.049 0.000 1.182 132 P CA 0.667 63.800 63.100 0.055 0.000 0.761 132 P CB 0.490 32.199 31.700 0.015 0.000 0.795 133 G N 0.521 109.357 108.800 0.060 0.000 2.561 133 G HA2 0.318 4.278 3.960 -0.000 0.000 0.310 133 G HA3 0.318 4.278 3.960 -0.000 0.000 0.310 133 G C 0.673 175.610 174.900 0.061 0.000 1.292 133 G CA -0.099 45.046 45.100 0.074 0.000 0.811 133 G HN 0.288 nan 8.290 nan 0.000 0.482 134 S N -0.374 115.375 115.700 0.082 0.000 2.423 134 S HA 0.023 4.493 4.470 -0.000 0.000 0.231 134 S C 0.562 175.191 174.600 0.048 0.000 1.014 134 S CA 1.332 59.569 58.200 0.063 0.000 0.965 134 S CB -0.202 63.048 63.200 0.084 0.000 0.785 134 S HN 0.699 nan 8.310 nan 0.000 0.495 135 D N 1.842 122.270 120.400 0.045 0.000 2.697 135 D HA -0.022 4.618 4.640 -0.000 0.000 0.238 135 D C 0.365 176.672 176.300 0.011 0.000 1.152 135 D CA 1.447 55.457 54.000 0.017 0.000 0.666 135 D CB -1.591 39.221 40.800 0.019 0.000 1.037 135 D HN 0.853 nan 8.370 nan 0.000 0.423 136 G N -0.716 108.092 108.800 0.015 0.000 2.341 136 G HA2 0.367 4.327 3.960 -0.000 0.000 0.293 136 G HA3 0.367 4.327 3.960 -0.000 0.000 0.293 136 G C -3.230 171.702 174.900 0.053 0.000 1.298 136 G CA -0.751 44.362 45.100 0.022 0.000 0.868 136 G HN 0.045 nan 8.290 nan 0.000 0.540 137 P HA 0.515 nan 4.420 nan 0.000 0.288 137 P C -0.229 177.109 177.300 0.063 0.000 1.267 137 P CA -0.450 62.692 63.100 0.070 0.000 0.815 137 P CB 1.313 33.044 31.700 0.052 0.000 0.989 138 L N 2.266 123.531 121.223 0.070 0.000 2.361 138 L HA 0.330 4.670 4.340 -0.000 0.000 0.278 138 L C 1.561 178.454 176.870 0.038 0.000 1.113 138 L CA -0.071 54.799 54.840 0.051 0.000 0.849 138 L CB 0.203 42.290 42.059 0.048 0.000 1.155 138 L HN 0.521 nan 8.230 nan 0.000 0.452 139 G N 1.576 110.395 108.800 0.031 0.000 2.535 139 G HA2 0.095 4.055 3.960 -0.000 0.000 0.282 139 G HA3 0.095 4.055 3.960 -0.000 0.000 0.282 139 G C 0.232 175.145 174.900 0.023 0.000 1.350 139 G CA -0.365 44.751 45.100 0.025 0.000 1.039 139 G HN 0.671 nan 8.290 nan 0.000 0.509 140 D N -0.978 119.433 120.400 0.019 0.000 2.367 140 D HA 0.032 4.672 4.640 -0.000 0.000 0.207 140 D C 0.092 176.401 176.300 0.016 0.000 1.034 140 D CA 0.100 54.110 54.000 0.017 0.000 0.861 140 D CB 0.371 41.180 40.800 0.015 0.000 0.943 140 D HN 0.219 nan 8.370 nan 0.000 0.515 141 D N 1.138 121.548 120.400 0.017 0.000 2.346 141 D HA 0.002 4.642 4.640 -0.000 0.000 0.260 141 D C 1.328 177.639 176.300 0.020 0.000 1.252 141 D CA -0.086 53.924 54.000 0.017 0.000 0.895 141 D CB 0.828 41.638 40.800 0.016 0.000 1.097 141 D HN -0.210 nan 8.370 nan 0.000 0.489 142 M N 2.333 121.944 119.600 0.019 0.000 2.200 142 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 142 M C 1.242 177.558 176.300 0.027 0.000 1.066 142 M CA 0.863 56.177 55.300 0.024 0.000 1.127 142 M CB -0.444 32.168 32.600 0.021 0.000 1.379 142 M HN 0.424 nan 8.290 nan 0.000 0.420 143 D N 0.769 121.183 120.400 0.023 0.000 2.182 143 D HA -0.153 4.487 4.640 -0.000 0.000 0.201 143 D C 1.673 177.988 176.300 0.026 0.000 0.986 143 D CA 1.203 55.218 54.000 0.024 0.000 0.847 143 D CB -0.002 40.810 40.800 0.019 0.000 0.942 143 D HN 0.434 nan 8.370 nan 0.000 0.467 144 K N 0.108 120.522 120.400 0.023 0.000 2.356 144 K HA 0.075 4.395 4.320 -0.000 0.000 0.195 144 K C 1.624 178.237 176.600 0.022 0.000 1.037 144 K CA -0.111 56.189 56.287 0.021 0.000 1.014 144 K CB 0.400 32.910 32.500 0.018 0.000 0.815 144 K HN -0.026 nan 8.250 nan 0.000 0.507 145 N N 1.427 120.144 118.700 0.027 0.000 2.171 145 N HA -0.077 4.663 4.740 -0.000 0.000 0.184 145 N C 1.571 177.103 175.510 0.036 0.000 1.021 145 N CA 1.031 54.099 53.050 0.029 0.000 0.854 145 N CB 0.043 38.550 38.487 0.034 0.000 0.994 145 N HN 0.171 nan 8.380 nan 0.000 0.426 146 R N 0.744 121.278 120.500 0.057 0.000 2.115 146 R HA 0.080 4.420 4.340 -0.000 0.000 0.230 146 R C 2.121 178.455 176.300 0.057 0.000 1.111 146 R CA 1.021 57.178 56.100 0.095 0.000 0.976 146 R CB -0.174 30.190 30.300 0.107 0.000 0.870 146 R HN 0.159 nan 8.270 nan 0.000 0.445 147 A N 1.162 124.001 122.820 0.032 0.000 1.930 147 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 147 A C 2.094 179.672 177.584 -0.010 0.000 1.175 147 A CA 1.034 53.081 52.037 0.017 0.000 0.627 147 A CB -0.311 18.699 19.000 0.017 0.000 0.815 147 A HN 0.150 nan 8.150 nan 0.000 0.443 148 I N -0.374 120.186 120.570 -0.016 0.000 2.286 148 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 148 I C 2.908 178.972 176.117 -0.089 0.000 1.104 148 I CA 0.937 62.218 61.300 -0.033 0.000 1.397 148 I CB -0.253 37.739 38.000 -0.013 0.000 1.072 148 I HN 0.336 nan 8.210 nan 0.000 0.417 149 A N 0.634 123.372 122.820 -0.137 0.000 1.972 149 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 149 A C 2.367 179.638 177.584 -0.521 0.000 1.169 149 A CA 1.742 53.570 52.037 -0.348 0.000 0.635 149 A CB -0.449 18.321 19.000 -0.384 0.000 0.810 149 A HN 0.355 nan 8.150 nan 0.000 0.446 150 K N -0.583 119.654 120.400 -0.272 0.000 2.057 150 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 150 K C 2.349 178.891 176.600 -0.098 0.000 1.050 150 K CA 1.033 57.238 56.287 -0.137 0.000 0.935 150 K CB -0.201 32.310 32.500 0.019 0.000 0.715 150 K HN 0.303 nan 8.250 nan 0.000 0.439 151 R N 1.151 121.607 120.500 -0.074 0.000 2.096 151 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 151 R C 2.029 178.296 176.300 -0.055 0.000 1.127 151 R CA 1.487 57.560 56.100 -0.045 0.000 0.968 151 R CB -0.357 29.927 30.300 -0.027 0.000 0.861 151 R HN 0.319 nan 8.270 nan 0.000 0.440 152 I N -0.434 120.080 120.570 -0.094 0.000 2.277 152 I HA 0.006 4.175 4.170 -0.000 0.000 0.243 152 I C 0.918 176.973 176.117 -0.104 0.000 1.094 152 I CA 1.006 62.254 61.300 -0.088 0.000 1.393 152 I CB -0.219 37.721 38.000 -0.100 0.000 1.078 152 I HN 0.386 nan 8.210 nan 0.000 0.417 153 G N 0.051 108.741 108.800 -0.183 0.000 3.067 153 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.686 153 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.686 153 G C -0.834 173.969 174.900 -0.162 0.000 1.119 153 G CA -0.998 44.019 45.100 -0.138 0.000 0.790 153 G HN 0.034 nan 8.290 nan 0.000 0.605 154 Y N 2.467 122.777 120.300 0.017 0.000 2.326 154 Y HA 0.518 5.068 4.550 0.000 0.000 0.333 154 Y C -0.376 175.543 175.900 0.032 0.000 1.240 154 Y CA -0.746 57.367 58.100 0.021 0.000 1.365 154 Y CB 0.405 38.872 38.460 0.012 0.000 1.289 154 Y HN 0.594 nan 8.280 nan 0.000 0.548 155 P HA 0.367 nan 4.420 nan 0.000 0.277 155 P C -1.362 176.040 177.300 0.171 0.000 1.271 155 P CA -0.457 62.786 63.100 0.238 0.000 0.795 155 P CB 1.352 33.163 31.700 0.185 0.000 1.101 156 V N -2.163 117.838 119.914 0.145 0.000 2.655 156 V HA 0.449 4.569 4.120 -0.000 0.000 0.301 156 V C -0.352 175.772 176.094 0.049 0.000 1.082 156 V CA -0.927 61.423 62.300 0.084 0.000 0.899 156 V CB 1.175 33.005 31.823 0.010 0.000 1.014 156 V HN 0.567 nan 8.190 nan 0.000 0.429 157 I N 5.436 126.049 120.570 0.072 0.000 2.474 157 I HA 0.464 4.634 4.170 -0.000 0.000 0.287 157 I C -0.576 175.499 176.117 -0.070 0.000 1.048 157 I CA -0.529 60.771 61.300 0.000 0.000 1.383 157 I CB 0.844 38.907 38.000 0.104 0.000 1.412 157 I HN 0.575 nan 8.210 nan 0.000 0.531 158 I N 7.732 128.234 120.570 -0.113 0.000 2.336 158 I HA 0.383 4.553 4.170 -0.000 0.000 0.292 158 I C -0.147 175.822 176.117 -0.247 0.000 0.991 158 I CA -0.438 60.755 61.300 -0.178 0.000 1.227 158 I CB 1.059 38.991 38.000 -0.113 0.000 1.366 158 I HN 0.587 nan 8.210 nan 0.000 0.466 159 K N 3.643 123.771 120.400 -0.452 0.000 2.395 159 K HA 0.802 5.121 4.320 -0.000 0.000 0.247 159 K C -0.663 175.717 176.600 -0.366 0.000 0.973 159 K CA -0.779 55.245 56.287 -0.438 0.000 0.828 159 K CB 2.651 34.827 32.500 -0.539 0.000 1.272 159 K HN 0.675 nan 8.250 nan 0.000 0.439 160 A N 0.830 123.564 122.820 -0.144 0.000 2.327 160 A HA 0.262 4.582 4.320 -0.000 0.000 0.283 160 A C 0.639 178.293 177.584 0.115 0.000 1.127 160 A CA -0.352 51.676 52.037 -0.014 0.000 0.810 160 A CB 0.711 19.709 19.000 -0.004 0.000 1.066 160 A HN 0.741 nan 8.150 nan 0.000 0.492 161 S N 1.950 117.755 115.700 0.175 0.000 2.383 161 S HA -0.060 4.410 4.470 -0.000 0.000 0.227 161 S C 1.650 176.322 174.600 0.121 0.000 1.026 161 S CA 1.535 59.859 58.200 0.207 0.000 0.981 161 S CB -0.015 63.279 63.200 0.157 0.000 0.818 161 S HN 1.041 nan 8.310 nan 0.000 0.472 162 G N 1.045 109.895 108.800 0.083 0.000 3.371 162 G HA2 0.444 4.403 3.960 -0.000 0.000 0.248 162 G HA3 0.444 4.403 3.960 -0.000 0.000 0.248 162 G C 0.443 175.372 174.900 0.049 0.000 1.161 162 G CA -0.111 45.025 45.100 0.061 0.000 0.796 162 G HN 0.507 nan 8.290 nan 0.000 0.539 163 G N -0.560 108.269 108.800 0.048 0.000 2.544 163 G HA2 0.530 4.490 3.960 -0.000 0.000 0.242 163 G HA3 0.530 4.490 3.960 -0.000 0.000 0.242 163 G C 0.090 175.003 174.900 0.022 0.000 1.247 163 G CA 0.344 45.460 45.100 0.026 0.000 0.840 163 G HN 0.687 nan 8.290 nan 0.000 0.578 164 G N -1.773 107.035 108.800 0.012 0.000 2.667 164 G HA2 0.583 4.543 3.960 -0.000 0.000 0.294 164 G HA3 0.583 4.543 3.960 -0.000 0.000 0.294 164 G C 0.394 175.294 174.900 -0.000 0.000 1.467 164 G CA 0.340 45.444 45.100 0.006 0.000 0.852 164 G HN 1.946 nan 8.290 nan 0.000 0.521 165 G N -0.856 107.939 108.800 -0.009 0.000 2.198 165 G HA2 0.269 4.229 3.960 -0.000 0.000 0.260 165 G HA3 0.269 4.229 3.960 -0.000 0.000 0.260 165 G C 1.688 176.595 174.900 0.011 0.000 1.025 165 G CA 1.399 46.492 45.100 -0.012 0.000 0.769 165 G HN 2.798 nan 8.290 nan 0.000 0.507 166 G N -1.606 107.209 108.800 0.024 0.000 2.179 166 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 166 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 166 G C 0.466 175.409 174.900 0.071 0.000 0.977 166 G CA 1.364 46.511 45.100 0.079 0.000 0.641 166 G HN 1.162 nan 8.290 nan 0.000 0.533 171 V N 3.311 123.152 119.914 -0.121 0.000 2.349 171 V HA 0.299 4.419 4.120 -0.000 0.000 0.284 171 V C 0.306 176.347 176.094 -0.089 0.000 1.014 171 V CA -0.861 61.347 62.300 -0.154 0.000 0.826 171 V CB 1.857 33.466 31.823 -0.356 0.000 1.009 171 V HN 0.436 nan 8.190 nan 0.000 0.431 172 V N 6.216 126.121 119.914 -0.014 0.000 2.614 172 V HA 0.367 4.487 4.120 -0.000 0.000 0.291 172 V C 0.556 176.678 176.094 0.046 0.000 1.049 172 V CA -0.212 62.106 62.300 0.030 0.000 1.038 172 V CB 0.930 32.818 31.823 0.109 0.000 0.980 172 V HN 0.793 nan 8.190 nan 0.000 0.481 173 R N 3.442 123.916 120.500 -0.043 0.000 2.547 173 R HA 0.579 4.919 4.340 -0.000 0.000 0.280 173 R C 0.094 176.257 176.300 -0.228 0.000 1.630 173 R CA -0.086 55.952 56.100 -0.103 0.000 1.470 173 R CB 1.578 31.834 30.300 -0.073 0.000 1.178 173 R HN 1.090 nan 8.270 nan 0.000 0.591 174 G N 1.257 109.752 108.800 -0.508 0.000 2.484 174 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.685 174 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.685 174 G C -0.390 174.227 174.900 -0.470 0.000 1.294 174 G CA -0.931 43.846 45.100 -0.539 0.000 0.879 174 G HN 0.354 nan 8.290 nan 0.000 0.646 175 D N 0.247 120.435 120.400 -0.354 0.000 2.178 175 D HA 0.126 4.766 4.640 -0.000 0.000 0.202 175 D C 2.681 178.946 176.300 -0.059 0.000 0.974 175 D CA 2.180 56.113 54.000 -0.113 0.000 0.841 175 D CB -0.087 40.691 40.800 -0.037 0.000 0.953 175 D HN 0.847 nan 8.370 nan 0.000 0.478 176 A N 0.508 123.281 122.820 -0.080 0.000 1.968 176 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 176 A C 1.945 179.503 177.584 -0.043 0.000 1.169 176 A CA 1.151 53.158 52.037 -0.050 0.000 0.638 176 A CB -0.322 18.647 19.000 -0.052 0.000 0.812 176 A HN 0.018 nan 8.150 nan 0.000 0.446 177 E N -0.654 119.508 120.200 -0.063 0.000 2.268 177 E HA -0.075 4.275 4.350 -0.000 0.000 0.195 177 E C 1.665 178.253 176.600 -0.019 0.000 0.995 177 E CA 0.406 56.778 56.400 -0.046 0.000 0.836 177 E CB -0.249 29.413 29.700 -0.064 0.000 0.763 177 E HN 0.493 nan 8.360 nan 0.000 0.491 178 L N -0.109 121.114 121.223 -0.001 0.000 2.275 178 L HA 0.013 4.353 4.340 -0.000 0.000 0.215 178 L C 1.888 178.768 176.870 0.017 0.000 1.119 178 L CA 1.376 56.234 54.840 0.029 0.000 0.790 178 L CB -0.505 41.598 42.059 0.073 0.000 0.919 178 L HN 0.105 nan 8.230 nan 0.000 0.443 179 A N -1.230 121.594 122.820 0.006 0.000 1.898 179 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 179 A C 2.198 179.782 177.584 0.000 0.000 1.181 179 A CA 1.640 53.679 52.037 0.004 0.000 0.620 179 A CB -0.434 18.566 19.000 -0.001 0.000 0.819 179 A HN 0.574 nan 8.150 nan 0.000 0.442 180 Q N -0.711 119.086 119.800 -0.005 0.000 2.204 180 Q HA 0.205 4.545 4.340 -0.000 0.000 0.209 180 Q C 1.088 177.082 176.000 -0.009 0.000 0.861 180 Q CA 0.161 55.959 55.803 -0.008 0.000 0.971 180 Q CB 0.188 28.919 28.738 -0.012 0.000 1.095 180 Q HN 0.614 nan 8.270 nan 0.000 0.486 181 S N -0.138 115.558 115.700 -0.006 0.000 2.371 181 S HA 0.043 4.513 4.470 -0.000 0.000 0.219 181 S C 1.617 176.213 174.600 -0.006 0.000 1.040 181 S CA 0.434 58.629 58.200 -0.008 0.000 0.958 181 S CB 0.110 63.309 63.200 -0.001 0.000 0.860 181 S HN 0.399 nan 8.310 nan 0.000 0.487 182 I N 1.719 122.289 120.570 -0.000 0.000 2.493 182 I HA -0.106 4.064 4.170 -0.000 0.000 0.254 182 I C 2.065 178.182 176.117 -0.000 0.000 1.160 182 I CA 0.636 61.937 61.300 0.001 0.000 1.445 182 I CB -0.255 37.749 38.000 0.007 0.000 1.086 182 I HN 0.193 nan 8.210 nan 0.000 0.433 183 S N 0.410 116.109 115.700 -0.001 0.000 2.402 183 S HA -0.058 4.412 4.470 -0.000 0.000 0.229 183 S C 1.904 176.502 174.600 -0.004 0.000 1.021 183 S CA 1.265 59.464 58.200 -0.002 0.000 0.974 183 S CB -0.061 63.137 63.200 -0.002 0.000 0.800 183 S HN 0.418 nan 8.310 nan 0.000 0.484 184 M N 0.032 119.628 119.600 -0.006 0.000 2.514 184 M HA 0.075 4.555 4.480 -0.000 0.000 0.258 184 M C 1.811 178.105 176.300 -0.009 0.000 1.159 184 M CA 0.607 55.902 55.300 -0.008 0.000 1.116 184 M CB -0.355 32.238 32.600 -0.012 0.000 1.333 184 M HN 0.162 nan 8.290 nan 0.000 0.487 185 T N 0.388 114.936 114.554 -0.010 0.000 2.812 185 T HA -0.074 4.275 4.350 -0.000 0.000 0.264 185 T C 1.830 176.526 174.700 -0.006 0.000 1.042 185 T CA 1.104 63.196 62.100 -0.012 0.000 1.140 185 T CB -0.177 68.682 68.868 -0.015 0.000 0.870 185 T HN 0.340 nan 8.240 nan 0.000 0.445 186 R N 0.375 120.874 120.500 -0.002 0.000 2.307 186 R HA 0.208 4.548 4.340 -0.000 0.000 0.199 186 R C 2.023 178.324 176.300 0.002 0.000 1.000 186 R CA 0.609 56.710 56.100 0.002 0.000 1.023 186 R CB -0.051 30.252 30.300 0.004 0.000 0.908 186 R HN 0.365 nan 8.270 nan 0.000 0.473 187 A N 0.242 123.062 122.820 0.000 0.000 1.938 187 A HA 0.049 4.369 4.320 -0.000 0.000 0.207 187 A C 1.644 179.229 177.584 0.001 0.000 1.292 187 A CA 0.260 52.298 52.037 0.001 0.000 0.700 187 A CB 0.013 19.013 19.000 -0.000 0.000 0.947 187 A HN 0.296 nan 8.150 nan 0.000 0.476 188 E N -0.239 119.960 120.200 -0.000 0.000 2.107 188 E HA 0.173 4.523 4.350 -0.000 0.000 0.191 188 E C 0.458 177.059 176.600 0.002 0.000 0.982 188 E CA 0.777 57.177 56.400 0.000 0.000 0.809 188 E CB 0.016 29.715 29.700 -0.002 0.000 0.756 188 E HN 0.459 nan 8.360 nan 0.000 0.459 189 A N 1.415 124.236 122.820 0.001 0.000 2.605 189 A HA 0.351 4.671 4.320 -0.000 0.000 0.293 189 A C -0.359 177.228 177.584 0.005 0.000 1.216 189 A CA -0.474 51.565 52.037 0.003 0.000 0.742 189 A CB 0.566 19.567 19.000 0.000 0.000 1.170 189 A HN -0.004 nan 8.150 nan 0.000 0.443 190 K N 1.526 121.931 120.400 0.008 0.000 3.278 190 K HA 0.604 4.924 4.320 -0.000 0.000 0.200 190 K C -0.430 176.178 176.600 0.014 0.000 1.107 190 K CA 0.425 56.719 56.287 0.011 0.000 0.923 190 K CB 0.449 32.955 32.500 0.010 0.000 0.787 190 K HN 1.021 nan 8.250 nan 0.000 0.481 196 D N 2.312 122.729 120.400 0.029 0.000 2.690 196 D HA 0.127 4.767 4.640 -0.000 0.000 0.236 196 D C -0.121 176.199 176.300 0.034 0.000 1.218 196 D CA -0.005 54.011 54.000 0.027 0.000 0.829 196 D CB -0.089 40.724 40.800 0.022 0.000 1.009 196 D HN 0.459 nan 8.370 nan 0.000 0.482 197 M N 1.348 120.975 119.600 0.045 0.000 2.326 197 M HA 0.390 4.870 4.480 -0.000 0.000 0.306 197 M C -1.519 174.831 176.300 0.084 0.000 1.054 197 M CA -0.730 54.608 55.300 0.063 0.000 0.922 197 M CB 2.367 35.009 32.600 0.069 0.000 1.632 197 M HN -0.040 nan 8.290 nan 0.000 0.436 198 V N 1.550 121.517 119.914 0.089 0.000 3.159 198 V HA 0.792 4.912 4.120 -0.000 0.000 0.308 198 V C -1.718 174.466 176.094 0.151 0.000 1.190 198 V CA -0.747 61.600 62.300 0.079 0.000 1.037 198 V CB 1.712 33.522 31.823 -0.022 0.000 1.060 198 V HN 0.945 nan 8.190 nan 0.000 0.437 199 Y N -0.030 120.280 120.300 0.015 0.000 2.638 199 Y HA 0.854 5.404 4.550 0.000 0.000 0.339 199 Y C -0.625 175.284 175.900 0.015 0.000 1.084 199 Y CA -1.761 56.349 58.100 0.018 0.000 1.068 199 Y CB 2.243 40.718 38.460 0.025 0.000 1.294 199 Y HN 0.848 nan 8.280 nan 0.000 0.480 200 M N 2.784 122.480 119.600 0.159 0.000 2.125 200 M HA 0.394 4.874 4.480 -0.000 0.000 0.321 200 M C -1.294 175.085 176.300 0.131 0.000 0.983 200 M CA -0.035 55.302 55.300 0.062 0.000 0.934 200 M CB 1.369 33.990 32.600 0.036 0.000 1.542 200 M HN 1.028 nan 8.290 nan 0.000 0.424 201 E N 2.865 123.125 120.200 0.100 0.000 3.388 201 E HA 0.428 4.778 4.350 -0.000 0.000 0.271 201 E C -1.020 175.607 176.600 0.044 0.000 0.808 201 E CA -0.861 55.606 56.400 0.111 0.000 1.710 201 E CB 1.162 30.950 29.700 0.146 0.000 1.831 201 E HN 0.485 nan 8.360 nan 0.000 0.541 202 K N 0.490 120.907 120.400 0.028 0.000 2.378 202 K HA 0.189 4.509 4.320 -0.000 0.000 0.252 202 K C -1.674 174.960 176.600 0.056 0.000 0.931 202 K CA -0.556 55.742 56.287 0.017 0.000 0.794 202 K CB 1.063 33.536 32.500 -0.044 0.000 1.181 202 K HN 0.373 nan 8.250 nan 0.000 0.425 203 Y N 5.196 125.484 120.300 -0.019 0.000 2.402 203 Y HA 0.258 4.808 4.550 -0.000 0.000 0.333 203 Y C -1.037 174.866 175.900 0.006 0.000 1.076 203 Y CA -0.192 57.911 58.100 0.005 0.000 1.299 203 Y CB 0.491 38.964 38.460 0.022 0.000 1.197 203 Y HN 0.420 nan 8.280 nan 0.000 0.517 204 L N 7.115 128.039 121.223 -0.499 0.000 2.295 204 L HA 0.339 4.679 4.340 -0.000 0.000 0.285 204 L C 0.655 177.261 176.870 -0.439 0.000 1.035 204 L CA -0.352 54.267 54.840 -0.369 0.000 0.806 204 L CB 1.680 43.594 42.059 -0.242 0.000 1.214 204 L HN 0.713 nan 8.230 nan 0.000 0.426 205 E N 1.563 121.644 120.200 -0.199 0.000 2.415 205 E HA 0.014 4.364 4.350 -0.000 0.000 0.197 205 E C 0.088 176.759 176.600 0.119 0.000 1.007 205 E CA 0.288 56.661 56.400 -0.044 0.000 0.890 205 E CB 0.351 30.050 29.700 -0.002 0.000 0.891 205 E HN 0.701 nan 8.360 nan 0.000 0.496 206 N N 0.719 119.443 118.700 0.039 0.000 2.622 206 N HA 0.181 4.920 4.740 -0.000 0.000 0.293 206 N C -2.953 172.551 175.510 -0.011 0.000 1.788 206 N CA -0.928 52.152 53.050 0.051 0.000 0.860 206 N CB 0.973 39.488 38.487 0.047 0.000 1.388 206 N HN -0.072 nan 8.380 nan 0.000 0.496 207 P HA 0.393 nan 4.420 nan 0.000 0.283 207 P C -0.708 176.607 177.300 0.024 0.000 1.271 207 P CA -0.422 62.666 63.100 -0.020 0.000 0.841 207 P CB 1.687 33.380 31.700 -0.013 0.000 1.122 208 R N -0.417 120.151 120.500 0.114 0.000 2.604 208 R HA 0.380 4.720 4.340 -0.000 0.000 0.287 208 R C 0.050 176.480 176.300 0.217 0.000 0.970 208 R CA -0.695 55.508 56.100 0.172 0.000 0.946 208 R CB 0.621 31.060 30.300 0.232 0.000 1.127 208 R HN 0.602 nan 8.270 nan 0.000 0.473 209 H N 1.674 120.817 119.070 0.121 0.000 2.934 209 H HA 0.277 4.833 4.556 -0.000 0.000 0.273 209 H C -1.051 174.377 175.328 0.166 0.000 1.121 209 H CA -0.268 55.863 56.048 0.137 0.000 1.451 209 H CB 0.403 30.216 29.762 0.086 0.000 1.469 209 H HN 0.124 nan 8.280 nan 0.000 0.476 210 V N 6.514 126.495 119.914 0.111 0.000 2.487 210 V HA 0.262 4.382 4.120 -0.000 0.000 0.298 210 V C -0.466 175.754 176.094 0.210 0.000 1.028 210 V CA -0.780 61.636 62.300 0.194 0.000 0.860 210 V CB 1.494 33.436 31.823 0.198 0.000 0.991 210 V HN 0.913 nan 8.190 nan 0.000 0.427 211 E N 5.183 125.510 120.200 0.212 0.000 2.317 211 E HA 0.663 5.013 4.350 -0.000 0.000 0.270 211 E C -1.673 175.056 176.600 0.215 0.000 0.885 211 E CA -0.973 55.570 56.400 0.238 0.000 0.760 211 E CB 2.713 32.542 29.700 0.217 0.000 1.227 211 E HN 0.365 nan 8.360 nan 0.000 0.434 212 I N 2.400 123.133 120.570 0.272 0.000 2.362 212 I HA 0.168 4.338 4.170 -0.000 0.000 0.289 212 I C -0.182 176.074 176.117 0.231 0.000 0.994 212 I CA -0.709 60.712 61.300 0.203 0.000 1.158 212 I CB 1.200 39.290 38.000 0.150 0.000 1.315 212 I HN 0.720 nan 8.210 nan 0.000 0.451 213 Q N 6.251 126.155 119.800 0.174 0.000 2.296 213 Q HA 0.456 4.796 4.340 -0.000 0.000 0.262 213 Q C -0.843 175.265 176.000 0.180 0.000 0.981 213 Q CA -0.181 55.716 55.803 0.156 0.000 0.905 213 Q CB 1.128 29.939 28.738 0.123 0.000 1.186 213 Q HN 0.537 nan 8.270 nan 0.000 0.399 214 V N 1.950 121.967 119.914 0.171 0.000 2.960 214 V HA 0.744 4.864 4.120 -0.000 0.000 0.315 214 V C -0.911 175.272 176.094 0.147 0.000 1.087 214 V CA -1.062 61.345 62.300 0.177 0.000 0.982 214 V CB 1.946 33.909 31.823 0.233 0.000 1.039 214 V HN 0.750 nan 8.190 nan 0.000 0.437 215 L N 2.573 123.879 121.223 0.139 0.000 2.409 215 L HA 0.909 5.249 4.340 -0.000 0.000 0.272 215 L C -0.160 176.797 176.870 0.144 0.000 0.980 215 L CA -0.619 54.300 54.840 0.132 0.000 0.826 215 L CB 1.969 44.070 42.059 0.071 0.000 1.268 215 L HN 1.068 nan 8.230 nan 0.000 0.407 216 A N 1.090 124.018 122.820 0.180 0.000 2.393 216 A HA 0.552 4.872 4.320 -0.000 0.000 0.306 216 A C -0.174 177.451 177.584 0.068 0.000 1.050 216 A CA -0.605 51.522 52.037 0.151 0.000 0.724 216 A CB 1.189 20.347 19.000 0.263 0.000 1.248 216 A HN 0.797 nan 8.150 nan 0.000 0.424 217 D N 1.051 121.474 120.400 0.039 0.000 2.355 217 D HA 0.209 4.849 4.640 -0.000 0.000 0.218 217 D C 1.170 177.464 176.300 -0.010 0.000 1.004 217 D CA 0.880 54.884 54.000 0.006 0.000 0.880 217 D CB -0.136 40.666 40.800 0.004 0.000 0.911 217 D HN 1.562 nan 8.370 nan 0.000 0.528 218 G N 0.412 109.212 108.800 -0.000 0.000 2.168 218 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.257 218 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.257 218 G C 0.711 175.608 174.900 -0.005 0.000 0.997 218 G CA 0.608 45.700 45.100 -0.013 0.000 0.708 218 G HN 0.499 nan 8.290 nan 0.000 0.520 219 Q N -1.394 118.408 119.800 0.003 0.000 2.189 219 Q HA 0.440 4.780 4.340 -0.000 0.000 0.223 219 Q C 1.755 177.761 176.000 0.008 0.000 0.828 219 Q CA 0.520 56.324 55.803 0.002 0.000 0.967 219 Q CB 1.221 29.959 28.738 -0.001 0.000 1.139 219 Q HN 1.334 nan 8.270 nan 0.000 0.497 220 G N 1.068 109.879 108.800 0.017 0.000 2.260 220 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.179 220 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.179 220 G C -0.254 174.660 174.900 0.024 0.000 1.002 220 G CA -0.660 44.452 45.100 0.020 0.000 0.677 220 G HN 0.168 nan 8.290 nan 0.000 0.486 221 N N 0.933 119.648 118.700 0.026 0.000 2.399 221 N HA 0.729 5.468 4.740 -0.000 0.000 0.295 221 N C -0.317 175.221 175.510 0.046 0.000 1.048 221 N CA 0.512 53.578 53.050 0.027 0.000 0.886 221 N CB 2.083 40.579 38.487 0.015 0.000 1.185 221 N HN 0.873 nan 8.380 nan 0.000 0.487 222 A N 1.644 124.494 122.820 0.050 0.000 2.488 222 A HA 0.679 4.999 4.320 -0.000 0.000 0.298 222 A C -0.630 176.990 177.584 0.061 0.000 1.044 222 A CA -0.775 51.308 52.037 0.076 0.000 0.693 222 A CB 1.033 20.096 19.000 0.106 0.000 1.272 222 A HN 0.689 nan 8.150 nan 0.000 0.402 223 I N -0.662 119.943 120.570 0.058 0.000 2.892 223 I HA 0.886 5.056 4.170 -0.000 0.000 0.306 223 I C -0.838 175.324 176.117 0.075 0.000 1.078 223 I CA -1.211 60.095 61.300 0.009 0.000 1.032 223 I CB 2.090 40.042 38.000 -0.080 0.000 1.229 223 I HN 0.760 nan 8.210 nan 0.000 0.435 224 Y N 2.683 122.969 120.300 -0.023 0.000 2.420 224 Y HA 0.792 5.342 4.550 -0.000 0.000 0.334 224 Y C -1.147 174.740 175.900 -0.023 0.000 1.094 224 Y CA -1.571 56.518 58.100 -0.019 0.000 1.126 224 Y CB 1.360 39.784 38.460 -0.061 0.000 1.217 224 Y HN 0.466 nan 8.280 nan 0.000 0.462 225 L N 4.571 125.847 121.223 0.088 0.000 2.784 225 L HA 0.680 5.020 4.340 -0.000 0.000 0.241 225 L C 0.562 177.482 176.870 0.084 0.000 1.352 225 L CA 0.309 55.157 54.840 0.013 0.000 0.911 225 L CB -0.170 41.901 42.059 0.020 0.000 1.227 225 L HN 1.150 nan 8.230 nan 0.000 0.501 226 A N 0.467 123.387 122.820 0.165 0.000 6.082 226 A HA -0.098 4.222 4.320 -0.000 0.000 0.269 226 A C 0.312 177.954 177.584 0.096 0.000 2.078 226 A CA 1.168 53.290 52.037 0.142 0.000 0.711 226 A CB -0.633 18.407 19.000 0.067 0.000 1.114 226 A HN 0.605 nan 8.150 nan 0.000 0.371 227 E N 0.449 120.679 120.200 0.050 0.000 2.392 227 E HA 0.802 5.151 4.350 -0.000 0.000 0.269 227 E C -0.676 175.952 176.600 0.046 0.000 0.924 227 E CA -0.880 55.547 56.400 0.046 0.000 0.784 227 E CB 1.338 31.042 29.700 0.008 0.000 1.292 227 E HN 0.787 nan 8.360 nan 0.000 0.447 228 R N 0.483 121.031 120.500 0.080 0.000 2.686 228 R HA 0.359 4.699 4.340 -0.000 0.000 0.286 228 R C -1.026 175.352 176.300 0.130 0.000 0.969 228 R CA -0.892 55.257 56.100 0.083 0.000 0.898 228 R CB 1.575 31.930 30.300 0.092 0.000 1.183 228 R HN 0.518 nan 8.270 nan 0.000 0.456 229 D N 1.654 122.125 120.400 0.119 0.000 2.274 229 D HA 0.191 4.831 4.640 -0.000 0.000 0.239 229 D C -0.457 175.943 176.300 0.166 0.000 1.104 229 D CA -0.388 53.709 54.000 0.161 0.000 0.840 229 D CB 1.192 42.071 40.800 0.132 0.000 1.100 229 D HN 0.551 nan 8.370 nan 0.000 0.477 230 C N 2.991 122.411 119.300 0.200 0.000 2.660 230 C HA 0.224 4.684 4.460 -0.000 0.000 0.265 230 C C 1.851 176.849 174.990 0.013 0.000 1.573 230 C CA -0.489 58.559 59.018 0.051 0.000 1.751 230 C CB -1.138 26.534 27.740 -0.113 0.000 3.033 230 C HN 0.537 nan 8.230 nan 0.000 0.511 231 S N 0.962 116.731 115.700 0.116 0.000 2.428 231 S HA -0.013 4.457 4.470 -0.000 0.000 0.230 231 S C 0.911 175.555 174.600 0.073 0.000 1.014 231 S CA 0.741 59.007 58.200 0.111 0.000 0.957 231 S CB -0.182 63.102 63.200 0.139 0.000 0.784 231 S HN 0.611 nan 8.310 nan 0.000 0.499 232 M N 3.052 122.700 119.600 0.080 0.000 2.429 232 M HA 0.191 4.670 4.480 -0.000 0.000 0.334 232 M C -0.438 175.859 176.300 -0.004 0.000 1.560 232 M CA 0.462 55.800 55.300 0.063 0.000 1.291 232 M CB -0.682 31.948 32.600 0.050 0.000 1.754 232 M HN 0.133 nan 8.290 nan 0.000 0.456 233 Q N 2.705 122.494 119.800 -0.018 0.000 2.421 233 Q HA 0.619 4.959 4.340 -0.000 0.000 0.280 233 Q C -1.000 174.934 176.000 -0.111 0.000 1.085 233 Q CA -1.044 54.719 55.803 -0.067 0.000 0.807 233 Q CB 3.084 31.787 28.738 -0.059 0.000 1.405 233 Q HN 0.596 nan 8.270 nan 0.000 0.419 234 R N 1.178 121.582 120.500 -0.160 0.000 2.502 234 R HA 0.379 4.719 4.340 -0.000 0.000 0.300 234 R C -0.857 175.303 176.300 -0.234 0.000 0.984 234 R CA -0.294 55.660 56.100 -0.244 0.000 0.882 234 R CB 0.820 30.895 30.300 -0.375 0.000 1.180 234 R HN 0.749 nan 8.270 nan 0.000 0.444 235 R N 4.083 124.417 120.500 -0.276 0.000 3.416 235 R HA -0.194 4.146 4.340 -0.000 0.000 0.263 235 R C -0.522 175.673 176.300 -0.174 0.000 1.053 235 R CA 1.091 57.031 56.100 -0.266 0.000 0.705 235 R CB -1.856 28.360 30.300 -0.140 0.000 1.124 235 R HN 0.952 nan 8.270 nan 0.000 0.444 236 H N -3.483 115.569 119.070 -0.028 0.000 3.211 236 H HA -0.216 4.340 4.556 0.000 0.000 0.240 236 H C 0.331 175.624 175.328 -0.059 0.000 1.148 236 H CA 1.799 57.832 56.048 -0.024 0.000 1.160 236 H CB -1.103 28.661 29.762 0.003 0.000 1.232 236 H HN 0.730 nan 8.280 nan 0.000 0.321 237 Q N 1.356 121.147 119.800 -0.015 0.000 2.282 237 Q HA 0.425 4.765 4.340 -0.000 0.000 0.260 237 Q C -0.447 175.504 176.000 -0.083 0.000 0.964 237 Q CA -0.776 54.998 55.803 -0.049 0.000 0.880 237 Q CB 1.291 29.998 28.738 -0.053 0.000 1.286 237 Q HN 0.182 nan 8.270 nan 0.000 0.445 238 K N 2.034 122.373 120.400 -0.102 0.000 2.326 238 K HA 0.124 4.444 4.320 -0.000 0.000 0.275 238 K C -0.075 176.478 176.600 -0.078 0.000 1.018 238 K CA -0.247 55.975 56.287 -0.108 0.000 0.962 238 K CB 1.193 33.609 32.500 -0.141 0.000 0.953 238 K HN 0.466 nan 8.250 nan 0.000 0.475 239 V N 1.593 121.471 119.914 -0.061 0.000 3.137 239 V HA 0.056 4.176 4.120 -0.000 0.000 0.236 239 V C -0.094 175.980 176.094 -0.034 0.000 1.260 239 V CA 0.103 62.377 62.300 -0.043 0.000 1.244 239 V CB 1.215 33.010 31.823 -0.047 0.000 1.016 239 V HN 0.447 nan 8.190 nan 0.000 0.477 240 V N 1.097 120.992 119.914 -0.032 0.000 2.709 240 V HA 0.639 4.759 4.120 -0.000 0.000 0.308 240 V C -1.210 174.902 176.094 0.030 0.000 1.062 240 V CA -0.551 61.742 62.300 -0.012 0.000 0.901 240 V CB 2.089 33.873 31.823 -0.065 0.000 1.003 240 V HN 0.465 nan 8.190 nan 0.000 0.425 241 E N 2.388 122.619 120.200 0.051 0.000 2.343 241 E HA 0.749 5.099 4.350 -0.000 0.000 0.270 241 E C -1.057 175.606 176.600 0.106 0.000 0.895 241 E CA -0.863 55.579 56.400 0.070 0.000 0.767 241 E CB 2.554 32.271 29.700 0.028 0.000 1.248 241 E HN 0.871 nan 8.360 nan 0.000 0.440 242 E N 0.090 120.357 120.200 0.110 0.000 2.413 242 E HA 0.863 5.213 4.350 -0.000 0.000 0.277 242 E C -1.546 175.040 176.600 -0.023 0.000 0.958 242 E CA -1.506 54.947 56.400 0.089 0.000 0.779 242 E CB 1.908 31.744 29.700 0.228 0.000 1.278 242 E HN 0.454 nan 8.360 nan 0.000 0.456 243 A N 1.768 124.468 122.820 -0.200 0.000 2.488 243 A HA 0.668 4.988 4.320 -0.000 0.000 0.298 243 A C -2.789 174.440 177.584 -0.593 0.000 1.044 243 A CA -1.516 50.372 52.037 -0.249 0.000 0.693 243 A CB 1.599 20.542 19.000 -0.094 0.000 1.272 243 A HN 0.526 nan 8.150 nan 0.000 0.402 244 P HA 0.381 nan 4.420 nan 0.000 0.277 244 P C -0.050 177.200 177.300 -0.085 0.000 1.276 244 P CA -0.094 62.914 63.100 -0.153 0.000 0.788 244 P CB 0.657 32.327 31.700 -0.051 0.000 1.114 245 A N 0.704 123.516 122.820 -0.013 0.000 2.354 245 A HA 0.436 4.756 4.320 -0.000 0.000 0.281 245 A C -2.129 175.472 177.584 0.028 0.000 1.174 245 A CA -1.487 50.561 52.037 0.018 0.000 0.828 245 A CB -1.323 17.665 19.000 -0.021 0.000 1.099 245 A HN 0.339 nan 8.150 nan 0.000 0.516 246 P HA 0.175 nan 4.420 nan 0.000 0.262 246 P C 1.182 178.479 177.300 -0.006 0.000 1.182 246 P CA 1.953 65.063 63.100 0.017 0.000 0.761 246 P CB 0.608 32.284 31.700 -0.040 0.000 0.795 247 G N 2.834 111.627 108.800 -0.012 0.000 2.225 247 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.254 247 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.254 247 G C 0.212 175.115 174.900 0.005 0.000 0.988 247 G CA -0.459 44.644 45.100 0.005 0.000 0.625 247 G HN 0.492 nan 8.290 nan 0.000 0.527 248 I N 3.346 123.895 120.570 -0.035 0.000 2.436 248 I HA 0.242 4.412 4.170 -0.000 0.000 0.289 248 I C 1.572 177.687 176.117 -0.003 0.000 1.083 248 I CA 0.535 61.802 61.300 -0.055 0.000 1.372 248 I CB -0.047 37.895 38.000 -0.096 0.000 1.408 248 I HN 0.383 nan 8.210 nan 0.000 0.516 249 T N 5.016 119.581 114.554 0.018 0.000 2.828 249 T HA 0.256 4.606 4.350 -0.000 0.000 0.290 249 T C -1.682 173.035 174.700 0.029 0.000 1.019 249 T CA -1.437 60.679 62.100 0.026 0.000 1.031 249 T CB 0.957 69.845 68.868 0.032 0.000 1.001 249 T HN 0.316 nan 8.240 nan 0.000 0.531 250 P HA -0.053 nan 4.420 nan 0.000 0.218 250 P C 1.166 178.492 177.300 0.043 0.000 1.148 250 P CA 0.960 64.085 63.100 0.043 0.000 0.822 250 P CB 0.068 31.795 31.700 0.045 0.000 0.784 251 E N -0.626 119.597 120.200 0.039 0.000 2.047 251 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 251 E C 2.035 178.668 176.600 0.054 0.000 0.987 251 E CA 0.902 57.325 56.400 0.040 0.000 0.799 251 E CB -1.118 28.599 29.700 0.028 0.000 0.752 251 E HN 0.179 nan 8.360 nan 0.000 0.449 252 L N 0.404 121.666 121.223 0.065 0.000 2.046 252 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 252 L C 2.670 179.559 176.870 0.031 0.000 1.077 252 L CA 1.354 56.265 54.840 0.118 0.000 0.747 252 L CB -0.310 41.844 42.059 0.160 0.000 0.896 252 L HN 0.097 nan 8.230 nan 0.000 0.432 253 R N 0.366 120.856 120.500 -0.016 0.000 2.083 253 R HA -0.233 4.107 4.340 -0.000 0.000 0.237 253 R C 2.469 178.659 176.300 -0.183 0.000 1.137 253 R CA 1.837 57.880 56.100 -0.095 0.000 0.951 253 R CB -0.194 30.108 30.300 0.003 0.000 0.851 253 R HN 0.198 nan 8.270 nan 0.000 0.434 254 R N -0.685 119.778 120.500 -0.062 0.000 2.081 254 R HA -0.215 4.125 4.340 -0.000 0.000 0.235 254 R C 2.218 178.394 176.300 -0.206 0.000 1.131 254 R CA 1.887 57.947 56.100 -0.066 0.000 0.960 254 R CB -0.575 29.756 30.300 0.051 0.000 0.856 254 R HN 0.400 nan 8.270 nan 0.000 0.436 255 Y N 0.381 120.545 120.300 -0.228 0.000 2.070 255 Y HA -0.259 4.291 4.550 -0.000 0.000 0.280 255 Y C 2.032 177.689 175.900 -0.406 0.000 1.148 255 Y CA 1.909 59.861 58.100 -0.248 0.000 1.125 255 Y CB -0.279 38.083 38.460 -0.162 0.000 0.975 255 Y HN 0.130 nan 8.280 nan 0.000 0.492 256 I N 0.943 121.076 120.570 -0.728 0.000 2.439 256 I HA -0.071 4.099 4.170 -0.000 0.000 0.251 256 I C 2.412 177.950 176.117 -0.965 0.000 1.139 256 I CA 1.649 62.308 61.300 -1.069 0.000 1.438 256 I CB -1.008 36.099 38.000 -1.488 0.000 1.085 256 I HN 0.389 nan 8.210 nan 0.000 0.427 257 G N -0.408 107.779 108.800 -1.020 0.000 2.433 257 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 257 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 257 G C 1.563 175.708 174.900 -1.257 0.000 1.186 257 G CA 0.693 44.885 45.100 -1.514 0.000 0.779 257 G HN 0.459 nan 8.290 nan 0.000 0.543 258 E N -0.150 119.470 120.200 -0.966 0.000 2.118 258 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 258 E C 2.513 178.873 176.600 -0.400 0.000 0.992 258 E CA 0.838 56.989 56.400 -0.416 0.000 0.804 258 E CB -0.065 29.490 29.700 -0.243 0.000 0.741 258 E HN 0.352 nan 8.360 nan 0.000 0.458 259 R N 0.363 120.513 120.500 -0.582 0.000 2.081 259 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 259 R C 2.198 178.195 176.300 -0.504 0.000 1.131 259 R CA 1.667 57.442 56.100 -0.542 0.000 0.960 259 R CB -0.398 29.460 30.300 -0.736 0.000 0.856 259 R HN 0.181 nan 8.270 nan 0.000 0.436 260 C N -0.184 118.753 119.300 -0.604 0.000 2.446 260 C HA 0.111 4.570 4.460 -0.000 0.000 0.277 260 C C 2.830 177.581 174.990 -0.398 0.000 1.275 260 C CA 0.605 59.147 59.018 -0.793 0.000 1.727 260 C CB -0.925 26.380 27.740 -0.725 0.000 2.010 260 C HN 0.709 nan 8.230 nan 0.000 0.486 261 A N 0.666 123.373 122.820 -0.187 0.000 1.902 261 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 261 A C 2.214 179.776 177.584 -0.037 0.000 1.181 261 A CA 2.111 54.141 52.037 -0.011 0.000 0.623 261 A CB -0.588 18.469 19.000 0.094 0.000 0.818 261 A HN 0.694 nan 8.150 nan 0.000 0.443 262 K N -0.292 120.044 120.400 -0.107 0.000 2.057 262 K HA -0.072 4.248 4.320 -0.000 0.000 0.207 262 K C 2.151 178.704 176.600 -0.077 0.000 1.049 262 K CA 1.226 57.461 56.287 -0.087 0.000 0.931 262 K CB -0.365 32.065 32.500 -0.118 0.000 0.714 262 K HN 0.340 nan 8.250 nan 0.000 0.440 263 A N 1.089 123.823 122.820 -0.144 0.000 1.908 263 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 263 A C 2.454 180.073 177.584 0.057 0.000 1.181 263 A CA 1.821 53.803 52.037 -0.091 0.000 0.627 263 A CB -1.186 17.674 19.000 -0.234 0.000 0.818 263 A HN 0.596 nan 8.150 nan 0.000 0.445 264 C N -1.232 118.136 119.300 0.115 0.000 2.398 264 C HA -0.122 4.338 4.460 -0.000 0.000 0.276 264 C C 2.752 177.836 174.990 0.157 0.000 1.222 264 C CA 1.263 60.402 59.018 0.202 0.000 1.746 264 C CB -1.396 26.475 27.740 0.217 0.000 2.039 264 C HN 0.485 nan 8.230 nan 0.000 0.470 265 V N 1.063 121.030 119.914 0.088 0.000 2.343 265 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 265 V C 2.072 178.195 176.094 0.048 0.000 1.051 265 V CA 2.288 64.625 62.300 0.061 0.000 1.036 265 V CB -0.744 31.098 31.823 0.031 0.000 0.654 265 V HN 0.465 nan 8.190 nan 0.000 0.451 266 D N 0.442 120.861 120.400 0.032 0.000 2.178 266 D HA -0.099 4.541 4.640 -0.000 0.000 0.201 266 D C 1.824 178.144 176.300 0.034 0.000 0.980 266 D CA 1.676 55.687 54.000 0.019 0.000 0.842 266 D CB -0.153 40.644 40.800 -0.006 0.000 0.948 266 D HN 0.674 nan 8.370 nan 0.000 0.472 267 I N -3.897 116.712 120.570 0.066 0.000 3.883 267 I HA 0.346 4.516 4.170 -0.000 0.000 0.326 267 I C 0.999 177.176 176.117 0.099 0.000 1.283 267 I CA 0.241 61.589 61.300 0.081 0.000 1.161 267 I CB 0.036 38.099 38.000 0.105 0.000 1.012 267 I HN -0.048 nan 8.210 nan 0.000 0.421 268 G N 1.800 110.658 108.800 0.096 0.000 2.295 268 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.287 268 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.287 268 G C -0.066 174.893 174.900 0.097 0.000 1.055 268 G CA 0.275 45.422 45.100 0.078 0.000 0.922 268 G HN 0.683 nan 8.290 nan 0.000 0.503 269 Y N 0.328 120.651 120.300 0.038 0.000 2.497 269 Y HA 0.471 5.021 4.550 -0.000 0.000 0.334 269 Y C 0.922 176.841 175.900 0.032 0.000 1.199 269 Y CA -0.002 58.121 58.100 0.039 0.000 1.425 269 Y CB 0.568 39.064 38.460 0.061 0.000 1.291 269 Y HN 0.386 nan 8.280 nan 0.000 0.562 270 R N 4.231 124.338 120.500 -0.655 0.000 2.532 270 R HA 0.568 4.908 4.340 -0.000 0.000 0.297 270 R C -0.308 175.690 176.300 -0.503 0.000 0.984 270 R CA 0.249 56.121 56.100 -0.379 0.000 0.884 270 R CB 1.111 31.274 30.300 -0.228 0.000 1.182 270 R HN 1.019 nan 8.270 nan 0.000 0.442 271 G N 1.972 110.665 108.800 -0.179 0.000 2.548 271 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.208 271 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.208 271 G C -1.018 173.959 174.900 0.128 0.000 1.308 271 G CA -0.436 44.616 45.100 -0.080 0.000 0.924 271 G HN 0.845 nan 8.290 nan 0.000 0.540 272 A N -0.370 122.516 122.820 0.111 0.000 2.354 272 A HA 0.917 5.237 4.320 -0.000 0.000 0.269 272 A C 0.887 178.648 177.584 0.294 0.000 1.109 272 A CA 1.265 53.405 52.037 0.172 0.000 0.800 272 A CB 0.840 19.882 19.000 0.071 0.000 1.045 272 A HN 2.564 nan 8.150 nan 0.000 0.489 273 G N -0.363 108.549 108.800 0.186 0.000 2.649 273 G HA2 0.613 4.573 3.960 -0.000 0.000 0.290 273 G HA3 0.613 4.573 3.960 -0.000 0.000 0.290 273 G C -1.139 173.699 174.900 -0.104 0.000 1.426 273 G CA -0.356 44.735 45.100 -0.014 0.000 0.794 273 G HN 0.815 nan 8.290 nan 0.000 0.483 274 T N 0.442 114.878 114.554 -0.197 0.000 2.921 274 T HA 0.513 4.863 4.350 -0.000 0.000 0.297 274 T C -1.352 173.201 174.700 -0.245 0.000 1.013 274 T CA -0.202 61.840 62.100 -0.097 0.000 0.990 274 T CB 1.173 70.047 68.868 0.011 0.000 1.023 274 T HN 0.298 nan 8.240 nan 0.000 0.447 275 F N 2.335 122.276 119.950 -0.016 0.000 2.391 275 F HA 0.346 4.873 4.527 -0.000 0.000 0.359 275 F C 1.078 176.760 175.800 -0.198 0.000 1.122 275 F CA -0.766 57.184 58.000 -0.084 0.000 1.120 275 F CB 0.886 39.904 39.000 0.030 0.000 1.142 275 F HN 0.417 nan 8.300 nan 0.000 0.483 276 E N 4.032 124.071 120.200 -0.269 0.000 2.227 276 E HA 0.414 4.764 4.350 -0.000 0.000 0.282 276 E C -1.176 175.069 176.600 -0.591 0.000 1.015 276 E CA -0.421 55.788 56.400 -0.319 0.000 0.823 276 E CB 1.372 30.936 29.700 -0.226 0.000 1.081 276 E HN 0.351 nan 8.360 nan 0.000 0.396 277 F N 1.456 121.320 119.950 -0.143 0.000 2.577 277 F HA 0.397 4.924 4.527 -0.000 0.000 0.318 277 F C -0.088 175.699 175.800 -0.020 0.000 1.065 277 F CA -0.968 57.053 58.000 0.035 0.000 0.929 277 F CB 1.168 40.355 39.000 0.312 0.000 1.237 277 F HN 0.166 nan 8.300 nan 0.000 0.468 278 L N 2.595 124.000 121.223 0.303 0.000 2.275 278 L HA 0.376 4.716 4.340 -0.000 0.000 0.288 278 L C -1.052 176.038 176.870 0.368 0.000 1.046 278 L CA -0.524 54.471 54.840 0.258 0.000 0.805 278 L CB 1.207 43.369 42.059 0.172 0.000 1.193 278 L HN 0.540 nan 8.230 nan 0.000 0.426 279 F N 4.047 124.026 119.950 0.048 0.000 2.402 279 F HA 0.483 5.010 4.527 -0.000 0.000 0.355 279 F C -0.234 175.510 175.800 -0.093 0.000 1.123 279 F CA -0.185 57.702 58.000 -0.187 0.000 1.021 279 F CB 0.972 39.736 39.000 -0.395 0.000 1.160 279 F HN 0.468 nan 8.300 nan 0.000 0.451 280 E N 5.025 124.882 120.200 -0.572 0.000 2.321 280 E HA 0.220 4.570 4.350 -0.000 0.000 0.281 280 E C -0.845 175.501 176.600 -0.424 0.000 0.910 280 E CA -0.674 55.485 56.400 -0.402 0.000 0.770 280 E CB 1.033 30.686 29.700 -0.078 0.000 1.225 280 E HN 0.732 nan 8.360 nan 0.000 0.417 281 N N 2.605 121.063 118.700 -0.403 0.000 2.727 281 N HA -0.226 4.514 4.740 -0.000 0.000 0.249 281 N C 0.537 175.842 175.510 -0.342 0.000 1.048 281 N CA 1.541 54.425 53.050 -0.276 0.000 0.714 281 N CB -1.348 37.064 38.487 -0.125 0.000 0.959 281 N HN 0.984 nan 8.380 nan 0.000 0.544 282 G N -1.400 107.039 108.800 -0.602 0.000 2.168 282 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.263 282 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.263 282 G C -0.216 174.486 174.900 -0.329 0.000 0.977 282 G CA 0.856 45.716 45.100 -0.401 0.000 0.659 282 G HN 0.499 nan 8.290 nan 0.000 0.533 283 E N -0.707 119.180 120.200 -0.521 0.000 2.212 283 E HA 0.641 4.990 4.350 -0.000 0.000 0.268 283 E C -0.655 175.617 176.600 -0.546 0.000 0.902 283 E CA -0.800 55.339 56.400 -0.435 0.000 0.779 283 E CB 1.188 30.585 29.700 -0.505 0.000 1.172 283 E HN 0.123 nan 8.360 nan 0.000 0.409 284 F N 1.552 121.351 119.950 -0.252 0.000 2.415 284 F HA 0.310 4.836 4.527 -0.000 0.000 0.348 284 F C -0.251 175.419 175.800 -0.217 0.000 1.119 284 F CA -0.623 57.296 58.000 -0.135 0.000 1.069 284 F CB 0.766 39.548 39.000 -0.362 0.000 1.124 284 F HN 0.280 nan 8.300 nan 0.000 0.472 285 Y N 3.530 124.137 120.300 0.511 0.000 2.338 285 Y HA 0.281 4.831 4.550 -0.000 0.000 0.328 285 Y C -0.233 175.966 175.900 0.498 0.000 0.965 285 Y CA -1.438 56.924 58.100 0.437 0.000 1.208 285 Y CB 0.900 39.493 38.460 0.223 0.000 1.132 285 Y HN 0.496 nan 8.280 nan 0.000 0.469 286 F N 5.740 125.951 119.950 0.435 0.000 2.608 286 F HA 0.130 4.657 4.527 0.000 0.000 0.380 286 F C 0.858 176.660 175.800 0.003 0.000 1.083 286 F CA 0.008 57.971 58.000 -0.062 0.000 1.266 286 F CB 0.586 39.539 39.000 -0.079 0.000 1.076 286 F HN 0.582 nan 8.300 nan 0.000 0.574 287 I N 0.409 120.481 120.570 -0.829 0.000 3.718 287 I HA 0.426 4.596 4.170 -0.000 0.000 0.297 287 I C -0.155 175.421 176.117 -0.901 0.000 1.220 287 I CA -0.048 60.909 61.300 -0.571 0.000 1.381 287 I CB 0.263 38.123 38.000 -0.232 0.000 1.238 287 I HN 0.552 nan 8.210 nan 0.000 0.448 288 E N 1.152 120.551 120.200 -1.335 0.000 2.388 288 E HA 0.422 4.772 4.350 -0.000 0.000 0.280 288 E C -1.797 174.459 176.600 -0.573 0.000 1.019 288 E CA -0.699 55.237 56.400 -0.773 0.000 0.806 288 E CB 2.816 32.334 29.700 -0.303 0.000 1.246 288 E HN 0.193 nan 8.360 nan 0.000 0.443 289 M N 3.398 122.919 119.600 -0.132 0.000 2.181 289 M HA 0.432 4.912 4.480 -0.000 0.000 0.323 289 M C -1.532 174.685 176.300 -0.139 0.000 1.004 289 M CA -0.687 54.509 55.300 -0.173 0.000 0.941 289 M CB 1.004 33.457 32.600 -0.245 0.000 1.579 289 M HN 0.315 nan 8.290 nan 0.000 0.427 290 N N 3.454 122.068 118.700 -0.144 0.000 2.406 290 N HA 0.166 4.906 4.740 -0.000 0.000 0.251 290 N C -0.317 175.175 175.510 -0.031 0.000 1.069 290 N CA -0.006 53.013 53.050 -0.052 0.000 0.947 290 N CB 1.226 39.700 38.487 -0.022 0.000 1.111 290 N HN 0.584 nan 8.380 nan 0.000 0.497 291 T N 0.674 115.264 114.554 0.060 0.000 3.855 291 T HA 0.460 4.810 4.350 -0.000 0.000 0.306 291 T C 0.324 175.150 174.700 0.210 0.000 1.575 291 T CA -0.688 61.535 62.100 0.205 0.000 1.214 291 T CB -0.512 68.514 68.868 0.263 0.000 1.262 291 T HN 0.720 nan 8.240 nan 0.000 0.883 292 R N -0.629 119.972 120.500 0.169 0.000 2.993 292 R HA 0.505 4.845 4.340 -0.000 0.000 0.288 292 R C -1.585 174.782 176.300 0.111 0.000 0.982 292 R CA -1.210 54.969 56.100 0.131 0.000 0.832 292 R CB 0.058 30.447 30.300 0.149 0.000 1.340 292 R HN 0.162 nan 8.270 nan 0.000 0.516 293 I N 1.097 121.730 120.570 0.105 0.000 2.836 293 I HA 0.087 4.257 4.170 -0.000 0.000 0.285 293 I C -0.194 176.009 176.117 0.145 0.000 1.174 293 I CA 0.525 61.876 61.300 0.084 0.000 1.405 293 I CB 0.869 38.876 38.000 0.010 0.000 1.385 293 I HN 0.506 nan 8.210 nan 0.000 0.594 294 Q N 3.669 123.545 119.800 0.126 0.000 2.297 294 Q HA 0.325 4.665 4.340 -0.000 0.000 0.268 294 Q C 0.947 176.990 176.000 0.071 0.000 1.045 294 Q CA -0.871 54.964 55.803 0.054 0.000 0.861 294 Q CB 1.999 30.755 28.738 0.029 0.000 1.344 294 Q HN 0.573 nan 8.270 nan 0.000 0.452 295 V N 1.304 121.027 119.914 -0.318 0.000 2.250 295 V HA -0.296 3.824 4.120 -0.000 0.000 0.250 295 V C 1.783 177.837 176.094 -0.067 0.000 1.060 295 V CA 2.405 64.494 62.300 -0.351 0.000 1.030 295 V CB -0.525 31.000 31.823 -0.497 0.000 0.643 295 V HN 0.858 nan 8.190 nan 0.000 0.445 296 E N 0.911 121.073 120.200 -0.063 0.000 2.403 296 E HA -0.148 4.201 4.350 -0.000 0.000 0.187 296 E C 1.685 178.263 176.600 -0.038 0.000 1.073 296 E CA 0.402 56.765 56.400 -0.062 0.000 0.888 296 E CB -0.806 28.873 29.700 -0.037 0.000 1.035 296 E HN 0.920 nan 8.360 nan 0.000 0.471 297 H N 0.882 119.957 119.070 0.008 0.000 2.426 297 H HA 0.007 4.563 4.556 -0.000 0.000 0.298 297 H C -0.989 174.354 175.328 0.025 0.000 1.107 297 H CA 1.017 57.082 56.048 0.028 0.000 1.298 297 H CB -1.677 28.112 29.762 0.046 0.000 1.377 297 H HN 0.174 nan 8.280 nan 0.000 0.519 298 P HA -0.147 nan 4.420 nan 0.000 0.218 298 P C 2.292 179.541 177.300 -0.084 0.000 1.148 298 P CA 1.924 64.855 63.100 -0.281 0.000 0.822 298 P CB -0.273 31.241 31.700 -0.309 0.000 0.784 299 V N -3.555 116.327 119.914 -0.052 0.000 2.407 299 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 299 V C 1.899 178.001 176.094 0.013 0.000 1.055 299 V CA 2.553 64.853 62.300 0.000 0.000 1.049 299 V CB -2.261 29.564 31.823 0.005 0.000 0.662 299 V HN 0.063 nan 8.190 nan 0.000 0.455 300 T N 0.417 114.984 114.554 0.022 0.000 2.821 300 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 300 T C 1.799 176.518 174.700 0.033 0.000 1.046 300 T CA 1.840 63.962 62.100 0.037 0.000 1.139 300 T CB -0.319 68.588 68.868 0.065 0.000 0.871 300 T HN 0.699 nan 8.240 nan 0.000 0.454 301 E N 0.856 121.078 120.200 0.037 0.000 2.085 301 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 301 E C 2.196 178.782 176.600 -0.024 0.000 0.994 301 E CA 0.978 57.393 56.400 0.024 0.000 0.801 301 E CB -0.161 29.566 29.700 0.044 0.000 0.743 301 E HN 0.359 nan 8.360 nan 0.000 0.453 302 M N 0.394 119.975 119.600 -0.032 0.000 2.132 302 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 302 M C 2.566 178.787 176.300 -0.132 0.000 1.065 302 M CA 1.256 56.489 55.300 -0.111 0.000 1.122 302 M CB -0.844 31.757 32.600 0.003 0.000 1.365 302 M HN 0.220 nan 8.290 nan 0.000 0.411 303 I N -2.366 118.220 120.570 0.028 0.000 3.419 303 I HA 0.009 4.179 4.170 -0.000 0.000 0.286 303 I C 1.686 177.830 176.117 0.045 0.000 1.268 303 I CA 1.191 62.548 61.300 0.095 0.000 1.414 303 I CB -0.518 37.539 38.000 0.095 0.000 1.074 303 I HN 0.236 nan 8.210 nan 0.000 0.457 304 T N -3.637 110.922 114.554 0.009 0.000 2.959 304 T HA 0.427 4.777 4.350 -0.000 0.000 0.254 304 T C 1.639 176.337 174.700 -0.003 0.000 1.003 304 T CA 0.462 62.568 62.100 0.010 0.000 0.950 304 T CB 0.469 69.337 68.868 0.000 0.000 1.090 304 T HN 0.566 nan 8.240 nan 0.000 0.503 305 G N 1.219 110.002 108.800 -0.028 0.000 2.184 305 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.264 305 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.264 305 G C 0.076 174.971 174.900 -0.010 0.000 0.975 305 G CA 0.151 45.233 45.100 -0.029 0.000 0.642 305 G HN 0.752 nan 8.290 nan 0.000 0.536 306 V N 1.487 121.401 119.914 -0.000 0.000 2.461 306 V HA 0.388 4.508 4.120 -0.000 0.000 0.275 306 V C 0.269 176.379 176.094 0.026 0.000 1.047 306 V CA -0.579 61.727 62.300 0.009 0.000 0.955 306 V CB 1.793 33.620 31.823 0.006 0.000 0.988 306 V HN 0.327 nan 8.190 nan 0.000 0.471 307 D N 4.512 124.928 120.400 0.026 0.000 2.393 307 D HA 0.189 4.829 4.640 -0.000 0.000 0.232 307 D C 0.942 177.267 176.300 0.041 0.000 1.192 307 D CA -0.040 53.984 54.000 0.041 0.000 0.882 307 D CB 1.172 41.989 40.800 0.029 0.000 1.038 307 D HN 0.460 nan 8.370 nan 0.000 0.499 308 L N 3.856 125.117 121.223 0.063 0.000 2.141 308 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 308 L C 2.089 178.956 176.870 -0.005 0.000 1.094 308 L CA 0.433 55.293 54.840 0.034 0.000 0.763 308 L CB -0.110 41.979 42.059 0.051 0.000 0.908 308 L HN 0.507 nan 8.230 nan 0.000 0.437 309 I N 0.077 120.638 120.570 -0.016 0.000 2.233 309 I HA -0.224 3.946 4.170 -0.000 0.000 0.243 309 I C 2.388 178.517 176.117 0.020 0.000 1.093 309 I CA 1.485 62.779 61.300 -0.010 0.000 1.380 309 I CB -0.947 37.031 38.000 -0.037 0.000 1.067 309 I HN 0.228 nan 8.210 nan 0.000 0.413 310 K N 0.546 120.956 120.400 0.016 0.000 2.097 310 K HA -0.165 4.154 4.320 -0.000 0.000 0.206 310 K C 1.980 178.585 176.600 0.008 0.000 1.049 310 K CA 1.009 57.304 56.287 0.014 0.000 0.933 310 K CB 0.026 32.534 32.500 0.013 0.000 0.717 310 K HN 0.239 nan 8.250 nan 0.000 0.442 311 E N 1.009 121.214 120.200 0.008 0.000 2.072 311 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 311 E C 2.023 178.618 176.600 -0.008 0.000 0.985 311 E CA 1.091 57.493 56.400 0.003 0.000 0.801 311 E CB -0.125 29.580 29.700 0.009 0.000 0.750 311 E HN 0.384 nan 8.360 nan 0.000 0.452 312 Q N 0.243 120.036 119.800 -0.012 0.000 2.112 312 Q HA -0.151 4.189 4.340 -0.000 0.000 0.206 312 Q C 2.411 178.375 176.000 -0.060 0.000 0.987 312 Q CA 1.230 57.004 55.803 -0.049 0.000 0.858 312 Q CB -0.200 28.508 28.738 -0.051 0.000 0.905 312 Q HN 0.280 nan 8.270 nan 0.000 0.420 313 L N -0.303 120.909 121.223 -0.019 0.000 2.109 313 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 313 L C 2.457 179.316 176.870 -0.019 0.000 1.086 313 L CA 0.841 55.672 54.840 -0.015 0.000 0.760 313 L CB -0.272 41.796 42.059 0.015 0.000 0.910 313 L HN 0.130 nan 8.230 nan 0.000 0.437 314 R N 0.218 120.710 120.500 -0.013 0.000 2.075 314 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 314 R C 2.301 178.589 176.300 -0.019 0.000 1.126 314 R CA 1.312 57.405 56.100 -0.012 0.000 0.963 314 R CB -0.384 29.912 30.300 -0.006 0.000 0.858 314 R HN 0.283 nan 8.270 nan 0.000 0.435 315 I N 0.696 121.250 120.570 -0.026 0.000 2.226 315 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 315 I C 2.556 178.647 176.117 -0.044 0.000 1.100 315 I CA 1.364 62.644 61.300 -0.033 0.000 1.374 315 I CB -0.353 37.623 38.000 -0.039 0.000 1.057 315 I HN 0.200 nan 8.210 nan 0.000 0.413 316 A N 0.485 123.270 122.820 -0.059 0.000 2.015 316 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 316 A C 2.392 179.956 177.584 -0.034 0.000 1.163 316 A CA 1.533 53.533 52.037 -0.062 0.000 0.646 316 A CB -0.648 18.296 19.000 -0.093 0.000 0.806 316 A HN 0.430 nan 8.150 nan 0.000 0.448 317 A N -1.830 120.975 122.820 -0.025 0.000 2.206 317 A HA 0.387 4.707 4.320 -0.000 0.000 0.211 317 A C 1.778 179.354 177.584 -0.013 0.000 1.158 317 A CA 1.307 53.336 52.037 -0.014 0.000 0.761 317 A CB -0.816 18.179 19.000 -0.009 0.000 0.801 317 A HN 1.842 nan 8.150 nan 0.000 0.473 318 G N -1.494 107.296 108.800 -0.017 0.000 2.159 318 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.227 318 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.227 318 G C -0.042 174.850 174.900 -0.012 0.000 0.986 318 G CA 0.079 45.170 45.100 -0.015 0.000 0.651 318 G HN 0.592 nan 8.290 nan 0.000 0.523 319 Q N 1.460 121.253 119.800 -0.012 0.000 2.296 319 Q HA 0.361 4.701 4.340 -0.000 0.000 0.262 319 Q C -2.045 173.950 176.000 -0.008 0.000 0.981 319 Q CA -1.521 54.276 55.803 -0.009 0.000 0.905 319 Q CB 1.354 30.088 28.738 -0.007 0.000 1.186 319 Q HN 0.302 nan 8.270 nan 0.000 0.399 320 P HA -0.022 nan 4.420 nan 0.000 0.270 320 P C -0.343 176.955 177.300 -0.003 0.000 1.223 320 P CA -0.088 63.010 63.100 -0.004 0.000 0.785 320 P CB 0.672 32.370 31.700 -0.003 0.000 0.923 321 L N 1.551 122.773 121.223 -0.001 0.000 2.534 321 L HA -0.041 4.299 4.340 -0.000 0.000 0.271 321 L C 1.793 178.659 176.870 -0.007 0.000 1.178 321 L CA 0.300 55.139 54.840 -0.002 0.000 0.907 321 L CB -0.037 42.022 42.059 0.000 0.000 1.164 321 L HN 0.513 nan 8.230 nan 0.000 0.482 322 S N 2.999 118.694 115.700 -0.008 0.000 2.470 322 S HA 0.143 4.613 4.470 -0.000 0.000 0.222 322 S C 0.682 175.273 174.600 -0.015 0.000 1.024 322 S CA -0.209 57.985 58.200 -0.009 0.000 0.931 322 S CB -0.027 63.169 63.200 -0.006 0.000 0.791 322 S HN 0.468 nan 8.310 nan 0.000 0.513 323 I N 2.777 123.335 120.570 -0.020 0.000 2.436 323 I HA 0.178 4.348 4.170 -0.000 0.000 0.289 323 I C 0.067 176.155 176.117 -0.048 0.000 1.083 323 I CA -0.175 61.104 61.300 -0.035 0.000 1.372 323 I CB 0.573 38.549 38.000 -0.041 0.000 1.408 323 I HN 0.031 nan 8.210 nan 0.000 0.516 324 K N 4.505 124.871 120.400 -0.056 0.000 2.144 324 K HA 0.149 4.469 4.320 -0.000 0.000 0.270 324 K C 0.686 177.215 176.600 -0.118 0.000 1.005 324 K CA -0.519 55.728 56.287 -0.067 0.000 0.932 324 K CB 1.061 33.533 32.500 -0.047 0.000 1.021 324 K HN 0.349 nan 8.250 nan 0.000 0.462 325 Q N 2.103 121.823 119.800 -0.133 0.000 2.096 325 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 325 Q C 1.457 177.304 176.000 -0.255 0.000 0.982 325 Q CA 1.933 57.602 55.803 -0.222 0.000 0.850 325 Q CB 0.054 28.680 28.738 -0.187 0.000 0.901 325 Q HN 0.674 nan 8.270 nan 0.000 0.422 326 E N -0.183 119.915 120.200 -0.169 0.000 2.409 326 E HA -0.197 4.153 4.350 -0.000 0.000 0.198 326 E C 0.784 177.237 176.600 -0.244 0.000 1.024 326 E CA 1.190 57.493 56.400 -0.161 0.000 0.861 326 E CB -0.107 29.560 29.700 -0.055 0.000 0.788 326 E HN 0.602 nan 8.360 nan 0.000 0.521 327 E N 0.683 120.745 120.200 -0.230 0.000 2.474 327 E HA 0.100 4.450 4.350 -0.000 0.000 0.194 327 E C -0.154 176.221 176.600 -0.373 0.000 1.041 327 E CA -0.083 56.202 56.400 -0.191 0.000 0.874 327 E CB 0.893 30.556 29.700 -0.061 0.000 0.914 327 E HN 0.002 nan 8.360 nan 0.000 0.498 328 V N 2.914 122.534 119.914 -0.491 0.000 2.385 328 V HA 0.123 4.243 4.120 -0.000 0.000 0.269 328 V C -0.265 175.499 176.094 -0.550 0.000 1.043 328 V CA -0.292 61.769 62.300 -0.399 0.000 0.906 328 V CB 0.453 32.075 31.823 -0.335 0.000 0.995 328 V HN 0.217 nan 8.190 nan 0.000 0.467 329 H N 3.019 122.060 119.070 -0.049 0.000 2.689 329 H HA 0.382 4.938 4.556 -0.000 0.000 0.346 329 H C -0.705 174.620 175.328 -0.005 0.000 1.037 329 H CA -0.644 55.390 56.048 -0.023 0.000 1.234 329 H CB 2.226 31.982 29.762 -0.010 0.000 1.572 329 H HN 0.384 nan 8.280 nan 0.000 0.524 330 V N 4.126 124.109 119.914 0.115 0.000 2.479 330 V HA 0.130 4.249 4.120 -0.000 0.000 0.281 330 V C 0.704 176.862 176.094 0.107 0.000 1.031 330 V CA 0.212 62.565 62.300 0.088 0.000 1.038 330 V CB 0.455 32.317 31.823 0.065 0.000 0.981 330 V HN 0.595 nan 8.190 nan 0.000 0.478 331 R N 3.698 124.270 120.500 0.120 0.000 2.502 331 R HA 0.599 4.939 4.340 -0.000 0.000 0.300 331 R C 0.376 176.819 176.300 0.238 0.000 0.984 331 R CA 0.514 56.701 56.100 0.146 0.000 0.882 331 R CB 1.577 31.957 30.300 0.133 0.000 1.180 331 R HN 1.017 nan 8.270 nan 0.000 0.444 332 G N 2.314 111.211 108.800 0.161 0.000 2.562 332 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.250 332 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.250 332 G C -1.129 173.812 174.900 0.069 0.000 1.269 332 G CA 0.275 45.410 45.100 0.058 0.000 0.919 332 G HN 0.843 nan 8.290 nan 0.000 0.574 333 H N -0.875 118.066 119.070 -0.215 0.000 3.038 333 H HA 0.685 5.241 4.556 -0.000 0.000 0.362 333 H C -0.167 175.102 175.328 -0.098 0.000 1.167 333 H CA 0.388 56.371 56.048 -0.108 0.000 1.197 333 H CB 1.572 31.252 29.762 -0.138 0.000 1.840 333 H HN 1.513 nan 8.280 nan 0.000 0.540 334 A N 3.307 126.128 122.820 0.001 0.000 2.449 334 A HA 0.675 4.995 4.320 -0.000 0.000 0.302 334 A C -1.531 176.134 177.584 0.134 0.000 1.048 334 A CA -0.567 51.548 52.037 0.130 0.000 0.708 334 A CB 1.500 20.603 19.000 0.173 0.000 1.274 334 A HN 0.413 nan 8.150 nan 0.000 0.410 335 V N 1.333 121.348 119.914 0.169 0.000 2.680 335 V HA 0.605 4.725 4.120 -0.000 0.000 0.309 335 V C -0.185 175.983 176.094 0.123 0.000 1.052 335 V CA -0.510 61.898 62.300 0.180 0.000 0.908 335 V CB 1.760 33.728 31.823 0.243 0.000 1.001 335 V HN 0.982 nan 8.190 nan 0.000 0.431 336 E N 2.735 122.992 120.200 0.096 0.000 2.210 336 E HA 0.511 4.861 4.350 -0.000 0.000 0.266 336 E C -1.631 175.000 176.600 0.051 0.000 0.883 336 E CA -0.458 55.978 56.400 0.060 0.000 0.761 336 E CB 1.741 31.450 29.700 0.016 0.000 1.156 336 E HN 0.734 nan 8.360 nan 0.000 0.412 337 C N 4.625 123.960 119.300 0.058 0.000 2.298 337 C HA 0.466 4.926 4.460 -0.000 0.000 0.323 337 C C 0.101 175.122 174.990 0.052 0.000 1.284 337 C CA -0.751 58.294 59.018 0.045 0.000 1.577 337 C CB 0.164 27.940 27.740 0.059 0.000 2.249 337 C HN 0.728 nan 8.230 nan 0.000 0.497 338 R N 3.050 123.565 120.500 0.025 0.000 2.442 338 R HA 0.392 4.732 4.340 -0.000 0.000 0.291 338 R C -0.463 175.876 176.300 0.065 0.000 1.069 338 R CA -0.105 56.010 56.100 0.024 0.000 1.022 338 R CB 0.405 30.705 30.300 -0.001 0.000 0.976 338 R HN 0.538 nan 8.270 nan 0.000 0.443 339 I N 3.329 123.951 120.570 0.087 0.000 2.312 339 I HA 0.209 4.378 4.170 -0.000 0.000 0.290 339 I C -0.149 176.032 176.117 0.107 0.000 1.008 339 I CA -0.542 60.838 61.300 0.134 0.000 1.226 339 I CB 0.823 38.972 38.000 0.248 0.000 1.371 339 I HN 0.588 nan 8.210 nan 0.000 0.468 340 N N 3.843 122.605 118.700 0.103 0.000 2.361 340 N HA 0.609 5.349 4.740 -0.000 0.000 0.302 340 N C -0.281 175.284 175.510 0.092 0.000 1.074 340 N CA -0.643 52.465 53.050 0.095 0.000 0.850 340 N CB 2.188 40.734 38.487 0.098 0.000 1.228 340 N HN 0.704 nan 8.380 nan 0.000 0.491 341 A N 2.297 125.168 122.820 0.085 0.000 2.527 341 A HA 0.260 4.580 4.320 -0.000 0.000 0.313 341 A C -0.227 177.387 177.584 0.050 0.000 1.410 341 A CA -0.036 52.040 52.037 0.064 0.000 1.060 341 A CB -0.515 18.521 19.000 0.062 0.000 1.137 341 A HN 0.817 nan 8.150 nan 0.000 0.542 342 E N 1.889 122.112 120.200 0.037 0.000 2.412 342 E HA 0.313 4.663 4.350 -0.000 0.000 0.279 342 E C -1.572 175.003 176.600 -0.042 0.000 0.984 342 E CA -0.977 55.438 56.400 0.024 0.000 0.788 342 E CB 1.015 30.767 29.700 0.088 0.000 1.277 342 E HN 0.369 nan 8.360 nan 0.000 0.455 343 D N 2.024 122.378 120.400 -0.078 0.000 2.345 343 D HA 0.085 4.725 4.640 -0.000 0.000 0.247 343 D C -1.415 174.673 176.300 -0.353 0.000 1.108 343 D CA -1.850 52.058 54.000 -0.153 0.000 0.894 343 D CB 1.459 42.191 40.800 -0.113 0.000 1.203 343 D HN 0.244 nan 8.370 nan 0.000 0.430 344 P HA 0.022 nan 4.420 nan 0.000 0.235 344 P C 0.269 177.139 177.300 -0.717 0.000 1.177 344 P CA 0.769 63.535 63.100 -0.557 0.000 0.785 344 P CB 0.486 32.021 31.700 -0.275 0.000 0.885 345 N N -0.700 117.741 118.700 -0.432 0.000 2.439 345 N HA -0.030 4.710 4.740 -0.000 0.000 0.176 345 N C 1.546 176.968 175.510 -0.147 0.000 1.029 345 N CA 1.305 54.207 53.050 -0.247 0.000 0.886 345 N CB -0.155 38.257 38.487 -0.125 0.000 1.057 345 N HN 0.147 nan 8.380 nan 0.000 0.437 346 T N -2.943 111.528 114.554 -0.139 0.000 3.001 346 T HA 0.182 4.532 4.350 -0.000 0.000 0.251 346 T C 0.211 175.016 174.700 0.175 0.000 1.040 346 T CA -0.346 61.776 62.100 0.038 0.000 0.985 346 T CB -0.343 68.533 68.868 0.014 0.000 1.011 346 T HN 0.135 nan 8.240 nan 0.000 0.509 347 F N 0.522 120.467 119.950 -0.009 0.000 3.093 347 F HA -0.150 4.377 4.527 -0.000 0.000 0.287 347 F C 0.133 175.930 175.800 -0.005 0.000 0.882 347 F CA -0.093 57.903 58.000 -0.007 0.000 1.063 347 F CB -2.233 36.761 39.000 -0.010 0.000 1.097 347 F HN 0.290 nan 8.300 nan 0.000 0.604 348 L N 1.453 122.723 121.223 0.078 0.000 2.326 348 L HA 0.384 4.724 4.340 -0.000 0.000 0.278 348 L C -1.672 175.215 176.870 0.028 0.000 1.092 348 L CA -1.916 52.954 54.840 0.049 0.000 0.810 348 L CB 0.610 42.680 42.059 0.019 0.000 1.153 348 L HN -0.300 nan 8.230 nan 0.000 0.439 349 P HA -0.111 nan 4.420 nan 0.000 0.264 349 P C -0.571 176.725 177.300 -0.005 0.000 1.179 349 P CA 0.312 63.423 63.100 0.018 0.000 0.763 349 P CB 0.524 32.229 31.700 0.009 0.000 0.806 350 S N 3.513 119.212 115.700 -0.003 0.000 2.150 350 S HA 0.367 4.837 4.470 -0.000 0.000 0.171 350 S C -2.336 172.252 174.600 -0.020 0.000 1.620 350 S CA -1.749 56.441 58.200 -0.017 0.000 1.190 350 S CB -0.335 62.857 63.200 -0.014 0.000 1.102 350 S HN 0.195 nan 8.310 nan 0.000 0.464 351 P HA 0.659 nan 4.420 nan 0.000 0.274 351 P C 0.427 177.686 177.300 -0.069 0.000 1.256 351 P CA 0.200 63.263 63.100 -0.060 0.000 0.795 351 P CB 0.954 32.590 31.700 -0.107 0.000 1.038 352 G N -0.557 108.189 108.800 -0.089 0.000 2.362 352 G HA2 0.094 4.054 3.960 -0.000 0.000 0.288 352 G HA3 0.094 4.054 3.960 -0.000 0.000 0.288 352 G C -1.691 173.142 174.900 -0.110 0.000 1.305 352 G CA -0.811 44.236 45.100 -0.088 0.000 0.910 352 G HN 0.664 nan 8.290 nan 0.000 0.518 353 K N 0.213 120.560 120.400 -0.087 0.000 2.201 353 K HA 0.592 4.912 4.320 -0.000 0.000 0.278 353 K C 0.183 176.755 176.600 -0.047 0.000 1.027 353 K CA -0.640 55.592 56.287 -0.091 0.000 0.909 353 K CB 0.497 32.960 32.500 -0.061 0.000 1.062 353 K HN 0.369 nan 8.250 nan 0.000 0.465 354 I N 4.849 125.391 120.570 -0.045 0.000 2.379 354 I HA -0.012 4.158 4.170 -0.000 0.000 0.290 354 I C 1.454 177.599 176.117 0.047 0.000 1.063 354 I CA -0.133 61.175 61.300 0.014 0.000 1.351 354 I CB 1.287 39.296 38.000 0.015 0.000 1.410 354 I HN 0.841 nan 8.210 nan 0.000 0.505 355 T N 2.792 117.383 114.554 0.061 0.000 3.040 355 T HA 0.136 4.486 4.350 -0.000 0.000 0.252 355 T C 0.773 175.528 174.700 0.092 0.000 1.064 355 T CA -0.049 62.090 62.100 0.065 0.000 1.110 355 T CB 0.307 69.200 68.868 0.042 0.000 0.921 355 T HN 0.561 nan 8.240 nan 0.000 0.480 356 R N -0.287 120.281 120.500 0.114 0.000 2.604 356 R HA 0.621 4.961 4.340 -0.000 0.000 0.281 356 R C -2.346 174.086 176.300 0.219 0.000 1.020 356 R CA -1.059 55.121 56.100 0.133 0.000 0.899 356 R CB 1.723 32.067 30.300 0.073 0.000 1.205 356 R HN 0.286 nan 8.270 nan 0.000 0.450 357 F N 3.384 123.376 119.950 0.070 0.000 2.574 357 F HA 0.439 4.966 4.527 -0.000 0.000 0.313 357 F C -1.688 174.169 175.800 0.096 0.000 1.130 357 F CA -0.582 57.457 58.000 0.065 0.000 0.936 357 F CB 1.742 40.787 39.000 0.076 0.000 1.219 357 F HN 0.726 nan 8.300 nan 0.000 0.445 358 H N 4.245 122.726 119.070 -0.981 0.000 2.840 358 H HA 0.727 5.283 4.556 -0.000 0.000 0.340 358 H C -1.271 173.342 175.328 -1.192 0.000 1.004 358 H CA -0.284 55.210 56.048 -0.923 0.000 1.288 358 H CB 1.756 31.262 29.762 -0.427 0.000 1.607 358 H HN 0.902 nan 8.280 nan 0.000 0.522 359 A N 6.032 127.943 122.820 -1.515 0.000 2.316 359 A HA 0.483 4.803 4.320 -0.000 0.000 0.284 359 A C -2.315 174.782 177.584 -0.811 0.000 1.115 359 A CA -1.444 49.867 52.037 -1.210 0.000 0.812 359 A CB -0.025 18.413 19.000 -0.936 0.000 1.064 359 A HN 0.626 nan 8.150 nan 0.000 0.489 360 P HA 0.410 nan 4.420 nan 0.000 0.274 360 P C 0.176 177.370 177.300 -0.176 0.000 1.237 360 P CA 0.175 63.110 63.100 -0.275 0.000 0.793 360 P CB 1.285 32.880 31.700 -0.176 0.000 0.977 361 G N -1.231 107.522 108.800 -0.078 0.000 3.105 361 G HA2 0.750 4.710 3.960 -0.000 0.000 0.277 361 G HA3 0.750 4.710 3.960 -0.000 0.000 0.277 361 G C -0.440 174.485 174.900 0.042 0.000 1.375 361 G CA -0.587 44.506 45.100 -0.012 0.000 0.962 361 G HN 0.825 nan 8.290 nan 0.000 0.541 362 G N -1.970 106.877 108.800 0.078 0.000 2.462 362 G HA2 0.370 4.330 3.960 -0.000 0.000 0.685 362 G HA3 0.370 4.330 3.960 -0.000 0.000 0.685 362 G C -0.863 174.163 174.900 0.211 0.000 1.295 362 G CA -0.428 44.748 45.100 0.126 0.000 0.941 362 G HN 1.347 nan 8.290 nan 0.000 0.554 363 F N 2.108 122.088 119.950 0.050 0.000 2.543 363 F HA 0.483 5.010 4.527 -0.000 0.000 0.375 363 F C 1.581 177.439 175.800 0.096 0.000 1.075 363 F CA 0.668 58.709 58.000 0.067 0.000 1.225 363 F CB 0.667 39.704 39.000 0.062 0.000 1.099 363 F HN 2.194 nan 8.300 nan 0.000 0.561 364 G N 3.811 112.608 108.800 -0.004 0.000 2.159 364 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.256 364 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.256 364 G C -0.496 174.446 174.900 0.069 0.000 0.977 364 G CA 0.138 45.206 45.100 -0.053 0.000 0.652 364 G HN 0.771 nan 8.290 nan 0.000 0.531 365 V N 1.064 121.039 119.914 0.101 0.000 2.370 365 V HA 0.659 4.779 4.120 -0.000 0.000 0.279 365 V C 0.558 176.733 176.094 0.135 0.000 1.029 365 V CA -0.543 61.825 62.300 0.114 0.000 0.870 365 V CB 1.533 33.415 31.823 0.098 0.000 0.984 365 V HN 0.458 nan 8.190 nan 0.000 0.451 366 R N 5.150 125.741 120.500 0.152 0.000 2.480 366 R HA 0.359 4.699 4.340 -0.000 0.000 0.306 366 R C -1.490 174.956 176.300 0.244 0.000 0.958 366 R CA -0.595 55.600 56.100 0.159 0.000 0.861 366 R CB 1.482 31.836 30.300 0.091 0.000 1.171 366 R HN 0.829 nan 8.270 nan 0.000 0.445 367 W N 6.244 127.567 121.300 0.038 0.000 2.471 367 W HA 0.348 5.008 4.660 0.000 0.000 0.318 367 W C -1.325 175.224 176.519 0.051 0.000 1.034 367 W CA -0.598 56.778 57.345 0.050 0.000 1.224 367 W CB 1.812 31.310 29.460 0.064 0.000 1.335 367 W HN 0.533 nan 8.180 nan 0.000 0.452 368 E N 4.772 124.631 120.200 -0.569 0.000 2.255 368 E HA 0.278 4.628 4.350 -0.000 0.000 0.245 368 E C -1.088 175.054 176.600 -0.763 0.000 0.909 368 E CA -0.166 55.941 56.400 -0.488 0.000 0.747 368 E CB 1.797 31.337 29.700 -0.266 0.000 1.215 368 E HN 0.324 nan 8.360 nan 0.000 0.424 369 S N 1.402 116.690 115.700 -0.687 0.000 2.543 369 S HA 0.155 4.624 4.470 -0.000 0.000 0.274 369 S C 0.273 174.754 174.600 -0.199 0.000 1.149 369 S CA -0.651 57.240 58.200 -0.515 0.000 0.866 369 S CB 0.554 63.247 63.200 -0.846 0.000 1.111 369 S HN 0.597 nan 8.310 nan 0.000 0.457 370 H N 3.444 122.378 119.070 -0.226 0.000 2.548 370 H HA 0.263 4.819 4.556 -0.000 0.000 0.265 370 H C 1.022 176.180 175.328 -0.283 0.000 0.969 370 H CA 0.258 56.188 56.048 -0.196 0.000 1.155 370 H CB -0.739 28.891 29.762 -0.219 0.000 1.394 370 H HN 0.667 nan 8.280 nan 0.000 0.570 371 I N -0.270 119.858 120.570 -0.736 0.000 2.779 371 I HA 0.364 4.534 4.170 -0.000 0.000 0.285 371 I C -0.635 175.144 176.117 -0.562 0.000 1.134 371 I CA -0.942 59.882 61.300 -0.793 0.000 1.398 371 I CB 0.656 38.247 38.000 -0.681 0.000 1.404 371 I HN 0.048 nan 8.210 nan 0.000 0.587 372 Y N 2.679 122.708 120.300 -0.452 0.000 2.656 372 Y HA 0.744 5.294 4.550 -0.000 0.000 0.334 372 Y C -0.597 175.304 175.900 0.001 0.000 1.179 372 Y CA -1.556 56.414 58.100 -0.217 0.000 1.050 372 Y CB 0.514 38.952 38.460 -0.037 0.000 1.308 372 Y HN 0.818 nan 8.280 nan 0.000 0.456 373 A N 1.184 124.223 122.820 0.366 0.000 2.491 373 A HA 0.468 4.788 4.320 -0.000 0.000 0.261 373 A C 1.355 179.108 177.584 0.282 0.000 1.101 373 A CA 0.898 53.109 52.037 0.291 0.000 0.772 373 A CB -1.260 17.916 19.000 0.294 0.000 1.043 373 A HN 2.254 nan 8.150 nan 0.000 0.501 374 G N 0.825 109.714 108.800 0.148 0.000 2.194 374 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.236 374 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.236 374 G C 0.146 175.064 174.900 0.030 0.000 0.987 374 G CA 0.370 45.547 45.100 0.129 0.000 0.635 374 G HN 1.546 nan 8.290 nan 0.000 0.520 375 Y N 2.823 122.903 120.300 -0.366 0.000 2.377 375 Y HA 0.551 5.101 4.550 -0.000 0.000 0.330 375 Y C 0.449 176.194 175.900 -0.259 0.000 1.108 375 Y CA 0.562 58.308 58.100 -0.591 0.000 1.308 375 Y CB 0.974 38.683 38.460 -1.251 0.000 1.216 375 Y HN 0.057 nan 8.280 nan 0.000 0.518 376 T N 6.921 120.953 114.554 -0.870 0.000 2.733 376 T HA 0.286 4.636 4.350 -0.000 0.000 0.294 376 T C -0.626 173.504 174.700 -0.951 0.000 0.956 376 T CA -0.573 61.132 62.100 -0.658 0.000 0.987 376 T CB 0.303 68.972 68.868 -0.331 0.000 0.920 376 T HN 0.473 nan 8.240 nan 0.000 0.470 377 V N 8.165 127.772 119.914 -0.513 0.000 2.415 377 V HA 0.172 4.292 4.120 -0.000 0.000 0.267 377 V C -1.847 174.178 176.094 -0.114 0.000 1.042 377 V CA -1.565 60.618 62.300 -0.196 0.000 1.000 377 V CB -0.024 31.797 31.823 -0.002 0.000 1.015 377 V HN 0.693 nan 8.190 nan 0.000 0.478 378 P HA 0.214 nan 4.420 nan 0.000 0.272 378 P C -1.978 175.201 177.300 -0.201 0.000 1.230 378 P CA -1.579 61.490 63.100 -0.052 0.000 0.788 378 P CB 0.160 32.012 31.700 0.254 0.000 0.949 379 P HA -0.012 nan 4.420 nan 0.000 0.245 379 P C 0.439 177.419 177.300 -0.533 0.000 1.206 379 P CA 1.030 63.824 63.100 -0.510 0.000 0.781 379 P CB -0.036 31.320 31.700 -0.573 0.000 0.994 380 Y N -1.493 118.586 120.300 -0.369 0.000 2.519 380 Y HA 0.081 4.631 4.550 -0.000 0.000 0.287 380 Y C 1.148 176.701 175.900 -0.577 0.000 1.128 380 Y CA 0.118 57.853 58.100 -0.609 0.000 1.282 380 Y CB -0.353 37.516 38.460 -0.986 0.000 1.027 380 Y HN -0.078 nan 8.280 nan 0.000 0.551 381 Y N -1.320 119.110 120.300 0.217 0.000 2.805 381 Y HA 0.233 4.783 4.550 -0.000 0.000 0.321 381 Y C 0.236 176.200 175.900 0.106 0.000 1.203 381 Y CA -1.954 56.264 58.100 0.196 0.000 1.165 381 Y CB 0.255 38.857 38.460 0.236 0.000 1.371 381 Y HN -0.276 nan 8.280 nan 0.000 0.564 382 D N 0.226 120.782 120.400 0.260 0.000 2.382 382 D HA -0.017 4.623 4.640 -0.000 0.000 0.240 382 D C 0.968 177.351 176.300 0.138 0.000 1.146 382 D CA 0.569 54.650 54.000 0.134 0.000 0.897 382 D CB 1.384 42.227 40.800 0.073 0.000 1.197 382 D HN 0.688 nan 8.370 nan 0.000 0.432 383 S N 2.790 118.549 115.700 0.099 0.000 2.481 383 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 383 S C 1.286 175.950 174.600 0.107 0.000 0.996 383 S CA 0.077 58.336 58.200 0.097 0.000 0.942 383 S CB -0.063 63.185 63.200 0.080 0.000 0.768 383 S HN 0.562 nan 8.310 nan 0.000 0.520 384 M N 2.764 122.424 119.600 0.101 0.000 2.251 384 M HA 0.280 4.760 4.480 -0.000 0.000 0.346 384 M C 0.659 177.042 176.300 0.138 0.000 1.499 384 M CA -0.121 55.236 55.300 0.095 0.000 1.128 384 M CB 0.473 33.111 32.600 0.063 0.000 1.809 384 M HN 0.489 nan 8.290 nan 0.000 0.464 385 I N 1.395 122.036 120.570 0.119 0.000 4.070 385 I HA 0.552 4.722 4.170 -0.000 0.000 0.328 385 I C 0.592 176.694 176.117 -0.025 0.000 1.298 385 I CA -0.191 61.176 61.300 0.113 0.000 1.173 385 I CB 0.325 38.358 38.000 0.055 0.000 1.051 385 I HN 0.637 nan 8.210 nan 0.000 0.409 386 G N 1.139 109.906 108.800 -0.055 0.000 2.506 386 G HA2 0.534 4.493 3.960 -0.000 0.000 0.292 386 G HA3 0.534 4.493 3.960 -0.000 0.000 0.292 386 G C -1.930 172.826 174.900 -0.240 0.000 1.425 386 G CA -0.871 44.044 45.100 -0.308 0.000 0.788 386 G HN 0.072 nan 8.290 nan 0.000 0.490 387 K N -0.175 119.976 120.400 -0.414 0.000 2.482 387 K HA 0.542 4.862 4.320 -0.000 0.000 0.251 387 K C -1.639 174.894 176.600 -0.111 0.000 0.936 387 K CA -0.820 55.361 56.287 -0.177 0.000 0.791 387 K CB 2.888 35.302 32.500 -0.143 0.000 1.213 387 K HN 0.322 nan 8.250 nan 0.000 0.428 388 L N 4.430 125.744 121.223 0.151 0.000 2.287 388 L HA 0.519 4.859 4.340 -0.000 0.000 0.287 388 L C -1.460 175.510 176.870 0.167 0.000 1.022 388 L CA -0.509 54.521 54.840 0.317 0.000 0.814 388 L CB 0.832 43.134 42.059 0.405 0.000 1.217 388 L HN 0.540 nan 8.230 nan 0.000 0.420 389 I N 4.967 125.625 120.570 0.146 0.000 2.389 389 I HA 0.427 4.597 4.170 -0.000 0.000 0.288 389 I C -0.737 175.453 176.117 0.122 0.000 0.999 389 I CA -0.046 61.315 61.300 0.102 0.000 1.129 389 I CB 1.609 39.640 38.000 0.051 0.000 1.288 389 I HN 0.508 nan 8.210 nan 0.000 0.444 390 C N 5.400 124.772 119.300 0.121 0.000 2.408 390 C HA 0.510 4.970 4.460 -0.000 0.000 0.321 390 C C -0.510 174.559 174.990 0.131 0.000 1.245 390 C CA -0.866 58.221 59.018 0.115 0.000 1.523 390 C CB 0.750 28.543 27.740 0.088 0.000 2.178 390 C HN 0.680 nan 8.230 nan 0.000 0.488 391 Y N 1.751 122.041 120.300 -0.017 0.000 2.409 391 Y HA 0.748 5.298 4.550 -0.000 0.000 0.339 391 Y C 0.214 176.060 175.900 -0.090 0.000 1.033 391 Y CA 0.138 58.216 58.100 -0.038 0.000 1.094 391 Y CB 1.391 39.811 38.460 -0.067 0.000 1.210 391 Y HN 0.822 nan 8.280 nan 0.000 0.456 392 G N 3.464 111.714 108.800 -0.918 0.000 2.694 392 G HA2 0.220 4.179 3.960 -0.000 0.000 0.290 392 G HA3 0.220 4.179 3.960 -0.000 0.000 0.290 392 G C -0.370 173.994 174.900 -0.894 0.000 1.386 392 G CA -0.631 44.021 45.100 -0.747 0.000 0.872 392 G HN 0.661 nan 8.290 nan 0.000 0.475 393 E N -0.645 119.296 120.200 -0.432 0.000 2.265 393 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 393 E C 0.444 176.942 176.600 -0.169 0.000 0.996 393 E CA 1.200 57.467 56.400 -0.222 0.000 0.832 393 E CB -0.230 29.425 29.700 -0.076 0.000 0.756 393 E HN 0.518 nan 8.360 nan 0.000 0.491 394 N N -1.021 117.563 118.700 -0.193 0.000 2.972 394 N HA 0.162 4.902 4.740 -0.000 0.000 0.262 394 N C 0.209 175.590 175.510 -0.215 0.000 1.478 394 N CA -0.814 52.146 53.050 -0.150 0.000 0.841 394 N CB 1.024 39.438 38.487 -0.122 0.000 1.512 394 N HN -0.173 nan 8.380 nan 0.000 0.548 395 R N -0.676 119.613 120.500 -0.351 0.000 2.081 395 R HA -0.106 4.234 4.340 -0.000 0.000 0.235 395 R C 0.204 176.297 176.300 -0.346 0.000 1.131 395 R CA 1.873 57.590 56.100 -0.638 0.000 0.960 395 R CB -0.397 29.357 30.300 -0.911 0.000 0.856 395 R HN 0.617 nan 8.270 nan 0.000 0.436 396 D N -0.305 119.945 120.400 -0.249 0.000 2.117 396 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 396 D C 1.902 178.133 176.300 -0.115 0.000 0.987 396 D CA 1.185 55.087 54.000 -0.162 0.000 0.829 396 D CB -0.128 40.596 40.800 -0.127 0.000 0.961 396 D HN 0.089 nan 8.370 nan 0.000 0.460 397 V N 1.342 121.181 119.914 -0.124 0.000 2.295 397 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 397 V C 2.530 178.566 176.094 -0.096 0.000 1.049 397 V CA 1.753 63.991 62.300 -0.103 0.000 1.024 397 V CB -0.819 30.926 31.823 -0.129 0.000 0.648 397 V HN 0.181 nan 8.190 nan 0.000 0.447 398 A N -0.112 122.634 122.820 -0.122 0.000 1.908 398 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 398 A C 2.187 179.778 177.584 0.012 0.000 1.181 398 A CA 2.082 54.083 52.037 -0.059 0.000 0.627 398 A CB -0.549 18.442 19.000 -0.016 0.000 0.818 398 A HN 0.521 nan 8.150 nan 0.000 0.445 399 I N -0.538 120.034 120.570 0.004 0.000 2.286 399 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 399 I C 2.982 179.135 176.117 0.060 0.000 1.104 399 I CA 0.895 62.242 61.300 0.078 0.000 1.397 399 I CB -0.350 37.694 38.000 0.072 0.000 1.072 399 I HN 0.354 nan 8.210 nan 0.000 0.417 400 A N 0.934 123.765 122.820 0.018 0.000 1.908 400 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 400 A C 2.395 179.993 177.584 0.025 0.000 1.181 400 A CA 1.631 53.678 52.037 0.018 0.000 0.627 400 A CB -0.620 18.380 19.000 -0.001 0.000 0.818 400 A HN 0.311 nan 8.150 nan 0.000 0.445 401 R N -1.923 118.588 120.500 0.017 0.000 2.096 401 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 401 R C 2.192 178.517 176.300 0.043 0.000 1.127 401 R CA 1.681 57.796 56.100 0.026 0.000 0.968 401 R CB -0.341 29.965 30.300 0.012 0.000 0.861 401 R HN 0.586 nan 8.270 nan 0.000 0.440 402 M N 1.244 120.879 119.600 0.057 0.000 2.132 402 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 402 M C 1.608 177.943 176.300 0.057 0.000 1.065 402 M CA 1.752 57.094 55.300 0.071 0.000 1.122 402 M CB 0.067 32.724 32.600 0.095 0.000 1.365 402 M HN -0.129 nan 8.290 nan 0.000 0.411 403 K N -0.053 120.380 120.400 0.055 0.000 2.020 403 K HA -0.176 4.144 4.320 -0.000 0.000 0.212 403 K C 1.832 178.450 176.600 0.030 0.000 1.050 403 K CA 2.143 58.456 56.287 0.043 0.000 0.929 403 K CB -0.568 31.959 32.500 0.045 0.000 0.714 403 K HN 0.581 nan 8.250 nan 0.000 0.443 404 N N 0.398 119.115 118.700 0.029 0.000 2.069 404 N HA -0.179 4.560 4.740 -0.000 0.000 0.191 404 N C 1.952 177.470 175.510 0.013 0.000 1.031 404 N CA 0.924 53.986 53.050 0.021 0.000 0.852 404 N CB -0.168 38.334 38.487 0.025 0.000 1.018 404 N HN 0.199 nan 8.380 nan 0.000 0.423 405 A N 1.484 124.315 122.820 0.019 0.000 1.902 405 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 405 A C 2.181 179.757 177.584 -0.014 0.000 1.181 405 A CA 0.982 53.022 52.037 0.004 0.000 0.623 405 A CB -0.725 18.295 19.000 0.033 0.000 0.818 405 A HN 0.165 nan 8.150 nan 0.000 0.443 406 L N -0.558 120.672 121.223 0.012 0.000 2.131 406 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 406 L C 2.747 179.612 176.870 -0.008 0.000 1.092 406 L CA 1.051 55.897 54.840 0.010 0.000 0.759 406 L CB -0.409 41.667 42.059 0.029 0.000 0.903 406 L HN 0.414 nan 8.230 nan 0.000 0.435 407 Q N -0.200 119.596 119.800 -0.006 0.000 2.230 407 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 407 Q C 1.908 177.892 176.000 -0.025 0.000 0.963 407 Q CA 1.112 56.909 55.803 -0.011 0.000 0.866 407 Q CB 0.027 28.763 28.738 -0.003 0.000 0.931 407 Q HN 0.605 nan 8.270 nan 0.000 0.452 408 E N 0.292 120.471 120.200 -0.034 0.000 2.230 408 E HA -0.049 4.301 4.350 -0.000 0.000 0.192 408 E C 0.230 176.783 176.600 -0.078 0.000 0.987 408 E CA -0.256 56.121 56.400 -0.038 0.000 0.841 408 E CB 0.178 29.860 29.700 -0.030 0.000 0.783 408 E HN 0.030 nan 8.360 nan 0.000 0.481 409 L N 2.005 123.150 121.223 -0.130 0.000 2.534 409 L HA 0.104 4.444 4.340 -0.000 0.000 0.271 409 L C -0.626 176.168 176.870 -0.127 0.000 1.178 409 L CA 0.794 55.504 54.840 -0.216 0.000 0.907 409 L CB 0.181 42.124 42.059 -0.193 0.000 1.164 409 L HN -0.071 nan 8.230 nan 0.000 0.482 410 I N 6.903 127.380 120.570 -0.156 0.000 2.406 410 I HA 0.395 4.565 4.170 -0.000 0.000 0.290 410 I C -0.601 175.533 176.117 0.030 0.000 0.999 410 I CA -0.320 60.947 61.300 -0.056 0.000 1.124 410 I CB 1.405 39.375 38.000 -0.051 0.000 1.289 410 I HN 0.489 nan 8.210 nan 0.000 0.441 411 I N 5.460 126.092 120.570 0.104 0.000 2.517 411 I HA 0.304 4.473 4.170 -0.000 0.000 0.280 411 I C -1.282 174.903 176.117 0.113 0.000 1.061 411 I CA -0.509 60.907 61.300 0.194 0.000 1.091 411 I CB 1.325 39.458 38.000 0.222 0.000 1.205 411 I HN 0.414 nan 8.210 nan 0.000 0.459 412 D N 3.591 124.053 120.400 0.104 0.000 2.272 412 D HA 0.651 5.291 4.640 -0.000 0.000 0.247 412 D C 0.990 177.323 176.300 0.054 0.000 0.990 412 D CA 0.268 54.306 54.000 0.062 0.000 0.931 412 D CB 2.217 43.046 40.800 0.048 0.000 1.195 412 D HN 0.748 nan 8.370 nan 0.000 0.477 413 G N -0.009 108.810 108.800 0.031 0.000 2.232 413 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.226 413 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.226 413 G C 0.297 175.201 174.900 0.006 0.000 0.996 413 G CA 0.411 45.521 45.100 0.016 0.000 0.626 413 G HN 0.624 nan 8.290 nan 0.000 0.509 414 I N -2.685 117.894 120.570 0.014 0.000 2.969 414 I HA 0.747 4.917 4.170 -0.000 0.000 0.307 414 I C -0.402 175.722 176.117 0.012 0.000 1.149 414 I CA -1.625 59.679 61.300 0.007 0.000 1.008 414 I CB 1.720 39.725 38.000 0.008 0.000 1.232 414 I HN -0.098 nan 8.210 nan 0.000 0.435 415 K N 2.370 122.771 120.400 0.001 0.000 2.249 415 K HA 0.509 4.829 4.320 -0.000 0.000 0.280 415 K C -0.195 176.412 176.600 0.012 0.000 1.033 415 K CA -0.352 55.932 56.287 -0.005 0.000 0.946 415 K CB 1.382 33.865 32.500 -0.029 0.000 1.005 415 K HN 0.862 nan 8.250 nan 0.000 0.469 416 T N -1.796 112.770 114.554 0.019 0.000 2.887 416 T HA 0.189 4.539 4.350 -0.000 0.000 0.292 416 T C 0.434 175.154 174.700 0.033 0.000 1.087 416 T CA -1.045 61.081 62.100 0.043 0.000 1.009 416 T CB 1.017 69.930 68.868 0.075 0.000 1.203 416 T HN 0.595 nan 8.240 nan 0.000 0.518 417 N N 0.453 119.190 118.700 0.062 0.000 2.362 417 N HA 0.032 4.772 4.740 -0.000 0.000 0.204 417 N C 1.288 176.838 175.510 0.065 0.000 1.166 417 N CA -0.147 52.945 53.050 0.070 0.000 0.831 417 N CB -0.580 37.976 38.487 0.115 0.000 1.008 417 N HN 0.384 nan 8.380 nan 0.000 0.472 418 V N 0.892 120.844 119.914 0.062 0.000 2.332 418 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 418 V C 1.704 177.821 176.094 0.038 0.000 1.055 418 V CA 1.990 64.325 62.300 0.059 0.000 1.038 418 V CB -0.402 31.456 31.823 0.059 0.000 0.651 418 V HN 0.272 nan 8.190 nan 0.000 0.450 419 D N -0.300 120.116 120.400 0.027 0.000 2.178 419 D HA -0.125 4.515 4.640 -0.000 0.000 0.202 419 D C 1.955 178.267 176.300 0.021 0.000 0.974 419 D CA 0.963 54.973 54.000 0.017 0.000 0.841 419 D CB -0.189 40.614 40.800 0.006 0.000 0.953 419 D HN 0.358 nan 8.370 nan 0.000 0.478 420 L N 1.124 122.366 121.223 0.032 0.000 2.017 420 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 420 L C 2.017 178.902 176.870 0.025 0.000 1.073 420 L CA 1.690 56.558 54.840 0.046 0.000 0.745 420 L CB -0.589 41.527 42.059 0.095 0.000 0.894 420 L HN -0.113 nan 8.230 nan 0.000 0.432 421 Q N -0.241 119.573 119.800 0.022 0.000 2.124 421 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 421 Q C 2.391 178.379 176.000 -0.020 0.000 0.977 421 Q CA 2.056 57.854 55.803 -0.007 0.000 0.850 421 Q CB -0.355 28.393 28.738 0.017 0.000 0.901 421 Q HN 0.618 nan 8.270 nan 0.000 0.429 422 I N 0.317 120.890 120.570 0.005 0.000 2.286 422 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 422 I C 2.486 178.609 176.117 0.010 0.000 1.115 422 I CA 1.107 62.413 61.300 0.010 0.000 1.392 422 I CB -0.176 37.834 38.000 0.017 0.000 1.065 422 I HN 0.143 nan 8.210 nan 0.000 0.418 423 R N 0.557 121.063 120.500 0.011 0.000 2.081 423 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 423 R C 2.316 178.624 176.300 0.014 0.000 1.131 423 R CA 1.380 57.493 56.100 0.021 0.000 0.960 423 R CB -0.308 30.008 30.300 0.027 0.000 0.856 423 R HN 0.339 nan 8.270 nan 0.000 0.436 424 I N 0.324 120.872 120.570 -0.037 0.000 2.179 424 I HA -0.285 3.884 4.170 -0.000 0.000 0.242 424 I C 2.192 178.186 176.117 -0.205 0.000 1.088 424 I CA 1.010 62.233 61.300 -0.129 0.000 1.357 424 I CB -0.208 37.645 38.000 -0.243 0.000 1.051 424 I HN 0.143 nan 8.210 nan 0.000 0.409 425 M N 0.204 119.710 119.600 -0.157 0.000 2.202 425 M HA -0.180 4.300 4.480 -0.000 0.000 0.262 425 M C 1.572 177.971 176.300 0.164 0.000 1.063 425 M CA 1.587 56.896 55.300 0.015 0.000 1.097 425 M CB -1.352 31.276 32.600 0.047 0.000 1.382 425 M HN 0.291 nan 8.290 nan 0.000 0.413 426 N N 0.522 119.281 118.700 0.100 0.000 2.398 426 N HA -0.031 4.709 4.740 -0.000 0.000 0.188 426 N C 0.139 175.726 175.510 0.129 0.000 1.122 426 N CA 0.125 53.239 53.050 0.107 0.000 0.866 426 N CB 0.192 38.720 38.487 0.068 0.000 0.970 426 N HN 0.404 nan 8.380 nan 0.000 0.462 427 D N 1.620 122.121 120.400 0.169 0.000 2.383 427 D HA -0.042 4.598 4.640 -0.000 0.000 0.252 427 D C 1.107 177.526 176.300 0.199 0.000 1.166 427 D CA -0.010 54.109 54.000 0.198 0.000 0.879 427 D CB 1.390 42.345 40.800 0.259 0.000 1.164 427 D HN 0.329 nan 8.370 nan 0.000 0.462 428 E N 3.484 123.769 120.200 0.142 0.000 2.204 428 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 428 E C 0.859 177.503 176.600 0.072 0.000 0.989 428 E CA 0.789 57.247 56.400 0.097 0.000 0.824 428 E CB 0.030 29.772 29.700 0.070 0.000 0.756 428 E HN 0.362 nan 8.360 nan 0.000 0.477 429 N N 0.415 119.144 118.700 0.049 0.000 2.171 429 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 429 N C 1.639 177.111 175.510 -0.065 0.000 1.021 429 N CA 1.146 54.149 53.050 -0.079 0.000 0.854 429 N CB -0.443 37.873 38.487 -0.285 0.000 0.994 429 N HN 0.250 nan 8.380 nan 0.000 0.426 430 F N 2.375 122.238 119.950 -0.144 0.000 2.126 430 F HA -0.210 4.317 4.527 -0.000 0.000 0.299 430 F C 2.404 178.189 175.800 -0.026 0.000 1.096 430 F CA 1.509 59.464 58.000 -0.075 0.000 1.255 430 F CB -0.066 38.930 39.000 -0.007 0.000 0.997 430 F HN 0.020 nan 8.300 nan 0.000 0.479 431 Q N -0.999 118.761 119.800 -0.067 0.000 2.170 431 Q HA -0.256 4.084 4.340 -0.000 0.000 0.203 431 Q C 2.232 178.126 176.000 -0.177 0.000 0.976 431 Q CA 1.468 57.173 55.803 -0.164 0.000 0.858 431 Q CB -0.532 28.210 28.738 0.006 0.000 0.907 431 Q HN 0.597 nan 8.270 nan 0.000 0.433 432 H N -0.109 118.856 119.070 -0.175 0.000 2.357 432 H HA -0.001 4.554 4.556 -0.000 0.000 0.301 432 H C 0.598 175.808 175.328 -0.196 0.000 1.082 432 H CA 1.588 57.544 56.048 -0.153 0.000 1.342 432 H CB 0.213 29.913 29.762 -0.103 0.000 1.389 432 H HN 0.269 nan 8.280 nan 0.000 0.511 433 G N -1.905 106.796 108.800 -0.165 0.000 2.663 433 G HA2 0.118 4.078 3.960 -0.000 0.000 0.686 433 G HA3 0.118 4.078 3.960 -0.000 0.000 0.686 433 G C 0.591 175.473 174.900 -0.030 0.000 1.246 433 G CA 0.181 45.154 45.100 -0.213 0.000 0.795 433 G HN 1.036 nan 8.290 nan 0.000 0.627 434 G N -1.063 107.726 108.800 -0.019 0.000 2.137 434 G HA2 0.185 4.145 3.960 -0.000 0.000 0.237 434 G HA3 0.185 4.145 3.960 -0.000 0.000 0.237 434 G C 0.942 175.869 174.900 0.045 0.000 1.002 434 G CA 1.307 46.435 45.100 0.047 0.000 0.702 434 G HN 2.801 nan 8.290 nan 0.000 0.515 435 T N -0.439 114.114 114.554 -0.001 0.000 2.900 435 T HA 0.459 4.809 4.350 -0.000 0.000 0.307 435 T C 0.793 175.531 174.700 0.063 0.000 1.065 435 T CA 0.241 62.312 62.100 -0.049 0.000 1.105 435 T CB 1.382 70.098 68.868 -0.254 0.000 0.979 435 T HN 0.981 nan 8.240 nan 0.000 0.544 436 N N 1.687 120.444 118.700 0.096 0.000 2.405 436 N HA 0.183 4.922 4.740 -0.000 0.000 0.269 436 N C 1.307 176.853 175.510 0.059 0.000 1.249 436 N CA -0.998 52.101 53.050 0.081 0.000 0.974 436 N CB 0.036 38.566 38.487 0.072 0.000 1.204 436 N HN 0.820 nan 8.380 nan 0.000 0.565 437 I N -3.826 116.693 120.570 -0.085 0.000 2.850 437 I HA -0.086 4.084 4.170 -0.000 0.000 0.266 437 I C 0.396 176.388 176.117 -0.208 0.000 1.257 437 I CA 1.173 62.376 61.300 -0.162 0.000 1.465 437 I CB -0.626 37.234 38.000 -0.234 0.000 1.091 437 I HN 0.469 nan 8.210 nan 0.000 0.467 438 H N -1.702 117.433 119.070 0.109 0.000 2.586 438 H HA 0.100 4.656 4.556 -0.000 0.000 0.273 438 H C 1.475 176.848 175.328 0.075 0.000 0.997 438 H CA 0.090 56.182 56.048 0.074 0.000 1.177 438 H CB 0.096 29.900 29.762 0.070 0.000 1.471 438 H HN 0.303 nan 8.280 nan 0.000 0.538 439 Y N 1.104 121.462 120.300 0.097 0.000 2.181 439 Y HA -0.230 4.320 4.550 -0.000 0.000 0.288 439 Y C 2.121 178.053 175.900 0.053 0.000 1.146 439 Y CA 1.077 59.225 58.100 0.080 0.000 1.164 439 Y CB -0.192 38.317 38.460 0.081 0.000 0.982 439 Y HN 0.242 nan 8.280 nan 0.000 0.515 440 L N 0.740 121.979 121.223 0.026 0.000 2.046 440 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 440 L C 2.042 178.826 176.870 -0.143 0.000 1.077 440 L CA 2.055 56.855 54.840 -0.066 0.000 0.747 440 L CB -0.847 41.210 42.059 -0.003 0.000 0.896 440 L HN 0.294 nan 8.230 nan 0.000 0.432 441 E N -0.837 119.299 120.200 -0.106 0.000 2.204 441 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 441 E C 2.082 178.616 176.600 -0.109 0.000 0.989 441 E CA 0.872 57.209 56.400 -0.105 0.000 0.824 441 E CB -0.064 29.584 29.700 -0.087 0.000 0.756 441 E HN 0.439 nan 8.360 nan 0.000 0.477 442 K N 1.672 121.988 120.400 -0.140 0.000 2.026 442 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 442 K C 2.175 178.646 176.600 -0.213 0.000 1.048 442 K CA 1.348 57.539 56.287 -0.159 0.000 0.929 442 K CB 0.002 32.403 32.500 -0.165 0.000 0.713 442 K HN -0.110 nan 8.250 nan 0.000 0.439 443 K N 0.741 120.920 120.400 -0.368 0.000 2.063 443 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 443 K C 1.962 178.486 176.600 -0.127 0.000 1.048 443 K CA 1.470 57.580 56.287 -0.296 0.000 0.928 443 K CB -0.067 32.211 32.500 -0.370 0.000 0.713 443 K HN 0.208 nan 8.250 nan 0.000 0.442 444 L N -0.471 120.694 121.223 -0.096 0.000 2.492 444 L HA 0.097 4.437 4.340 -0.000 0.000 0.223 444 L C 1.108 177.972 176.870 -0.009 0.000 1.132 444 L CA 0.517 55.345 54.840 -0.020 0.000 0.850 444 L CB 0.010 42.079 42.059 0.017 0.000 0.966 444 L HN 0.597 nan 8.230 nan 0.000 0.454 445 G N 0.415 109.192 108.800 -0.038 0.000 2.160 445 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.244 445 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.244 445 G C 0.204 175.095 174.900 -0.015 0.000 1.022 445 G CA 0.324 45.409 45.100 -0.024 0.000 0.741 445 G HN 0.248 nan 8.290 nan 0.000 0.508 446 L N -1.554 119.652 121.223 -0.028 0.000 2.935 446 L HA 0.998 5.338 4.340 -0.000 0.000 0.214 446 L C 0.833 177.675 176.870 -0.047 0.000 1.574 446 L CA -0.212 54.609 54.840 -0.032 0.000 1.628 446 L CB 0.125 42.151 42.059 -0.056 0.000 2.455 446 L HN 0.840 nan 8.230 nan 0.000 0.578 447 Q N 0.000 119.765 119.800 -0.058 0.000 2.315 447 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 447 Q CA 0.000 nan 55.803 nan 0.000 1.022 447 Q CB 0.000 nan 28.738 nan 0.000 1.108 447 Q HN 0.000 nan 8.270 nan 0.000 0.481