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 2wow_1_A DATA FIRST_RESID -1 DATA SEQUENCE SHMSKAFDLV VIGAGSGGLE AGWNAATLYG KRVAVVDVQT SHGPPFYAAL DATA SEQUENCE GGTCVNVGCV PKKLMVTGAQ YMDHLRESAG FGWEFDGSSV KANWKKLIAA DATA SEQUENCE KNEAVLDINK SYEGMFNDTE GLDFFLGWGS LESKNVVVVR ETADPKSAVK DATA SEQUENCE ERLQADHILL ATGSWPQMPA IPGIEHCISS NEAFYLPEPP RRVLTVGGGF DATA SEQUENCE ISVEFAGIFN AYKPPGGKVT LCYRNNLILR GFDETIREEV TKQLTANGIE DATA SEQUENCE IMTNENPAKV SLNTDGSKHV TFESGKTLDV DVVMMAIGRI PRTNDLQLGN DATA SEQUENCE VGVKLTPKGG VQVDEFSRTN VPNIYAIGDI TDRLMLTPVA INEGAALVDT DATA SEQUENCE VFGNKPRKTD HTRVASAVFS IPPIGTCGLI EEVAAKEFEK VAVYMSSFTP DATA SEQUENCE LMHNISGSKY KKFVAKIVTN HSDGTVLGVH LLGDGAPEII QAVGVCLRLN DATA SEQUENCE AKISDFYNTI GVHPTSAEEL CSMRTPSYYY VKGEKMEKLP 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 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.368 174.600 -0.386 0.000 1.055 -1 S CA 0.000 58.037 58.200 -0.271 0.000 1.107 -1 S CB 0.000 63.162 63.200 -0.063 0.000 0.593 0 H N 0.863 119.947 119.070 0.023 0.000 2.512 0 H HA 0.393 4.948 4.556 -0.000 0.000 0.276 0 H C -0.405 174.931 175.328 0.014 0.000 1.126 0 H CA -0.215 55.845 56.048 0.020 0.000 1.060 0 H CB 0.304 30.075 29.762 0.015 0.000 1.646 0 H HN 0.368 nan 8.280 nan 0.000 0.571 1 M N 1.510 121.147 119.600 0.062 0.000 2.363 1 M HA 0.188 4.668 4.480 -0.000 0.000 0.343 1 M C 0.952 177.264 176.300 0.020 0.000 1.165 1 M CA -0.561 54.761 55.300 0.037 0.000 1.046 1 M CB 1.618 34.228 32.600 0.017 0.000 1.648 1 M HN 0.082 nan 8.290 nan 0.000 0.452 2 S N 3.101 118.805 115.700 0.007 0.000 2.576 2 S HA 0.344 4.813 4.470 -0.000 0.000 0.272 2 S C -0.154 174.431 174.600 -0.026 0.000 1.352 2 S CA -0.416 57.778 58.200 -0.011 0.000 1.021 2 S CB 0.748 63.938 63.200 -0.017 0.000 0.887 2 S HN 0.539 nan 8.310 nan 0.000 0.542 3 K N 0.510 120.890 120.400 -0.032 0.000 2.208 3 K HA 0.755 5.075 4.320 -0.000 0.000 0.247 3 K C -0.629 175.829 176.600 -0.235 0.000 0.953 3 K CA -0.827 55.392 56.287 -0.114 0.000 0.837 3 K CB 1.861 34.360 32.500 -0.001 0.000 1.131 3 K HN 0.775 nan 8.250 nan 0.000 0.431 4 A N 2.031 124.537 122.820 -0.525 0.000 2.342 4 A HA 0.823 5.143 4.320 -0.000 0.000 0.323 4 A C -1.254 175.802 177.584 -0.881 0.000 1.125 4 A CA -0.637 51.130 52.037 -0.451 0.000 0.785 4 A CB 0.414 19.282 19.000 -0.219 0.000 1.221 4 A HN 0.556 nan 8.150 nan 0.000 0.463 5 F N 0.081 120.051 119.950 0.033 0.000 2.613 5 F HA 0.353 4.880 4.527 -0.001 0.000 0.314 5 F C 0.795 176.652 175.800 0.095 0.000 1.075 5 F CA -0.770 57.268 58.000 0.062 0.000 0.945 5 F CB 1.786 40.831 39.000 0.074 0.000 1.310 5 F HN 0.621 nan 8.300 nan 0.000 0.467 6 D N 0.571 121.135 120.400 0.274 0.000 2.144 6 D HA -0.062 4.578 4.640 -0.000 0.000 0.199 6 D C 0.037 176.620 176.300 0.471 0.000 0.984 6 D CA 1.751 55.942 54.000 0.319 0.000 0.834 6 D CB 0.393 41.282 40.800 0.149 0.000 0.955 6 D HN 0.167 nan 8.370 nan 0.000 0.465 7 L N 0.369 121.824 121.223 0.387 0.000 2.505 7 L HA 0.321 4.661 4.340 -0.000 0.000 0.266 7 L C -1.448 175.558 176.870 0.227 0.000 0.954 7 L CA -0.635 54.437 54.840 0.387 0.000 0.852 7 L CB 2.404 44.685 42.059 0.370 0.000 1.282 7 L HN -0.363 nan 8.230 nan 0.000 0.403 8 V N 5.342 125.357 119.914 0.167 0.000 2.459 8 V HA 0.640 4.760 4.120 -0.000 0.000 0.295 8 V C -0.544 175.590 176.094 0.067 0.000 1.029 8 V CA -0.650 61.657 62.300 0.012 0.000 0.874 8 V CB 1.993 33.792 31.823 -0.039 0.000 0.985 8 V HN 0.538 nan 8.190 nan 0.000 0.438 9 V N 6.109 126.049 119.914 0.043 0.000 2.384 9 V HA 0.470 4.590 4.120 -0.000 0.000 0.287 9 V C -0.085 176.026 176.094 0.030 0.000 1.020 9 V CA -0.439 61.909 62.300 0.079 0.000 0.850 9 V CB 1.707 33.605 31.823 0.124 0.000 0.987 9 V HN 0.674 nan 8.190 nan 0.000 0.436 10 I N 4.758 125.344 120.570 0.028 0.000 2.281 10 I HA 0.667 4.836 4.170 -0.000 0.000 0.293 10 I C 0.780 176.901 176.117 0.006 0.000 1.085 10 I CA 0.067 61.362 61.300 -0.007 0.000 1.257 10 I CB 0.753 38.747 38.000 -0.010 0.000 1.430 10 I HN 0.873 nan 8.210 nan 0.000 0.489 11 G N 4.456 113.253 108.800 -0.004 0.000 3.313 11 G HA2 0.155 4.115 3.960 -0.000 0.000 0.659 11 G HA3 0.155 4.115 3.960 -0.000 0.000 0.659 11 G C -0.401 174.531 174.900 0.053 0.000 1.286 11 G CA -0.436 44.668 45.100 0.007 0.000 1.077 11 G HN 0.826 nan 8.290 nan 0.000 0.551 12 A N 1.535 124.393 122.820 0.063 0.000 3.258 12 A HA 0.769 5.089 4.320 -0.000 0.000 0.275 12 A C 1.272 178.844 177.584 -0.019 0.000 1.452 12 A CA 1.064 53.157 52.037 0.092 0.000 1.120 12 A CB -0.262 18.838 19.000 0.168 0.000 1.107 12 A HN 1.954 nan 8.150 nan 0.000 0.651 13 G N -1.076 107.720 108.800 -0.007 0.000 2.828 13 G HA2 0.410 4.369 3.960 -0.000 0.000 0.244 13 G HA3 0.410 4.369 3.960 -0.000 0.000 0.244 13 G C 1.011 175.892 174.900 -0.032 0.000 1.365 13 G CA 0.415 45.495 45.100 -0.034 0.000 1.041 13 G HN 0.201 nan 8.290 nan 0.000 0.560 14 S N -0.427 115.265 115.700 -0.013 0.000 2.372 14 S HA -0.161 4.309 4.470 -0.000 0.000 0.227 14 S C 2.408 177.027 174.600 0.031 0.000 1.044 14 S CA 2.042 60.245 58.200 0.004 0.000 1.050 14 S CB -0.634 62.579 63.200 0.021 0.000 0.901 14 S HN 0.793 nan 8.310 nan 0.000 0.447 15 G N 0.594 109.423 108.800 0.048 0.000 2.396 15 G HA2 0.097 4.057 3.960 -0.000 0.000 0.214 15 G HA3 0.097 4.057 3.960 -0.000 0.000 0.214 15 G C 1.437 176.389 174.900 0.087 0.000 1.166 15 G CA 0.769 45.911 45.100 0.069 0.000 0.793 15 G HN 0.562 nan 8.290 nan 0.000 0.533 16 G N 1.036 109.886 108.800 0.084 0.000 2.421 16 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 16 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 16 G C 1.822 176.803 174.900 0.135 0.000 1.171 16 G CA 0.749 45.915 45.100 0.110 0.000 0.775 16 G HN 0.394 nan 8.290 nan 0.000 0.543 17 L N 0.054 121.338 121.223 0.101 0.000 2.046 17 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 17 L C 2.787 179.745 176.870 0.147 0.000 1.077 17 L CA 1.573 56.478 54.840 0.109 0.000 0.747 17 L CB -0.347 41.704 42.059 -0.014 0.000 0.896 17 L HN 0.263 nan 8.230 nan 0.000 0.432 18 E N 0.414 120.686 120.200 0.119 0.000 2.051 18 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 18 E C 2.137 178.853 176.600 0.193 0.000 0.991 18 E CA 1.539 58.027 56.400 0.147 0.000 0.799 18 E CB -0.133 29.631 29.700 0.106 0.000 0.748 18 E HN 0.370 nan 8.360 nan 0.000 0.449 19 A N 0.270 123.189 122.820 0.166 0.000 1.883 19 A HA -0.093 4.226 4.320 -0.000 0.000 0.217 19 A C 2.471 180.172 177.584 0.194 0.000 1.186 19 A CA 2.016 54.158 52.037 0.174 0.000 0.624 19 A CB -1.481 17.613 19.000 0.156 0.000 0.822 19 A HN 0.435 nan 8.150 nan 0.000 0.444 20 G N -1.286 107.636 108.800 0.203 0.000 2.453 20 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.215 20 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.215 20 G C 1.553 176.569 174.900 0.193 0.000 1.201 20 G CA 0.994 46.217 45.100 0.205 0.000 0.784 20 G HN 0.690 nan 8.290 nan 0.000 0.545 21 W N 1.837 123.149 121.300 0.019 0.000 2.354 21 W HA -0.142 4.517 4.660 -0.001 0.000 0.315 21 W C 2.088 178.604 176.519 -0.005 0.000 1.206 21 W CA 1.520 58.851 57.345 -0.023 0.000 1.290 21 W CB -0.442 28.993 29.460 -0.042 0.000 1.152 21 W HN 0.168 nan 8.180 nan 0.000 0.489 22 N N 1.077 119.886 118.700 0.183 0.000 2.094 22 N HA -0.182 4.557 4.740 -0.000 0.000 0.191 22 N C 1.926 177.412 175.510 -0.041 0.000 1.023 22 N CA 2.605 55.670 53.050 0.025 0.000 0.857 22 N CB -1.129 37.460 38.487 0.170 0.000 1.013 22 N HN 0.242 nan 8.380 nan 0.000 0.426 23 A N 0.552 123.400 122.820 0.047 0.000 1.898 23 A HA 0.076 4.396 4.320 -0.000 0.000 0.216 23 A C 2.325 179.832 177.584 -0.128 0.000 1.181 23 A CA 1.903 53.946 52.037 0.011 0.000 0.620 23 A CB -0.871 18.094 19.000 -0.059 0.000 0.819 23 A HN 0.321 nan 8.150 nan 0.000 0.442 24 A N -0.468 122.254 122.820 -0.163 0.000 1.873 24 A HA -0.058 4.261 4.320 -0.000 0.000 0.215 24 A C 2.461 179.852 177.584 -0.320 0.000 1.186 24 A CA 2.531 54.448 52.037 -0.200 0.000 0.616 24 A CB -1.180 17.727 19.000 -0.154 0.000 0.823 24 A HN 0.726 nan 8.150 nan 0.000 0.442 25 T N -2.518 111.711 114.554 -0.542 0.000 2.976 25 T HA 0.158 4.507 4.350 -0.000 0.000 0.257 25 T C 1.812 176.236 174.700 -0.460 0.000 1.051 25 T CA 1.054 62.767 62.100 -0.645 0.000 1.141 25 T CB -0.322 67.833 68.868 -1.189 0.000 0.881 25 T HN 0.230 nan 8.240 nan 0.000 0.461 26 L N -1.367 119.565 121.223 -0.484 0.000 2.202 26 L HA 0.225 4.565 4.340 -0.000 0.000 0.205 26 L C 1.610 178.068 176.870 -0.687 0.000 1.083 26 L CA 0.960 55.428 54.840 -0.620 0.000 0.790 26 L CB -0.134 41.413 42.059 -0.852 0.000 0.942 26 L HN 0.247 nan 8.230 nan 0.000 0.452 27 Y N -0.716 119.502 120.300 -0.136 0.000 2.500 27 Y HA 0.351 4.901 4.550 -0.000 0.000 0.246 27 Y C 1.581 177.399 175.900 -0.138 0.000 1.146 27 Y CA -0.133 57.900 58.100 -0.111 0.000 1.230 27 Y CB 0.252 38.661 38.460 -0.084 0.000 1.214 27 Y HN 0.153 nan 8.280 nan 0.000 0.526 28 G N 1.078 109.837 108.800 -0.069 0.000 2.283 28 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.280 28 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.280 28 G C 0.209 175.061 174.900 -0.080 0.000 1.029 28 G CA 0.089 45.144 45.100 -0.076 0.000 0.840 28 G HN 0.087 nan 8.290 nan 0.000 0.505 29 K N -0.331 119.983 120.400 -0.143 0.000 2.098 29 K HA 0.420 4.740 4.320 -0.000 0.000 0.257 29 K C 0.830 177.378 176.600 -0.085 0.000 0.999 29 K CA -0.606 55.560 56.287 -0.202 0.000 0.924 29 K CB 0.838 33.003 32.500 -0.559 0.000 1.028 29 K HN 0.334 nan 8.250 nan 0.000 0.466 30 R N 0.781 121.278 120.500 -0.005 0.000 2.221 30 R HA 0.331 4.671 4.340 -0.000 0.000 0.327 30 R C -0.538 175.935 176.300 0.287 0.000 1.033 30 R CA -0.508 55.678 56.100 0.143 0.000 0.887 30 R CB 0.861 31.236 30.300 0.125 0.000 1.057 30 R HN 0.190 nan 8.270 nan 0.000 0.455 31 V N 2.184 122.279 119.914 0.302 0.000 2.540 31 V HA 0.619 4.739 4.120 -0.000 0.000 0.302 31 V C -0.172 175.964 176.094 0.071 0.000 1.035 31 V CA -0.953 61.467 62.300 0.200 0.000 0.873 31 V CB 1.803 33.708 31.823 0.136 0.000 0.992 31 V HN 0.883 nan 8.190 nan 0.000 0.428 32 A N 4.107 126.724 122.820 -0.339 0.000 2.324 32 A HA 0.921 5.240 4.320 -0.000 0.000 0.330 32 A C -0.877 176.643 177.584 -0.107 0.000 1.165 32 A CA -0.583 51.162 52.037 -0.486 0.000 0.813 32 A CB 1.622 19.842 19.000 -1.300 0.000 1.197 32 A HN 0.721 nan 8.150 nan 0.000 0.484 33 V N 2.422 122.348 119.914 0.019 0.000 2.638 33 V HA 0.495 4.615 4.120 -0.000 0.000 0.306 33 V C -0.557 175.458 176.094 -0.132 0.000 1.052 33 V CA -0.506 61.822 62.300 0.047 0.000 0.885 33 V CB 1.735 33.733 31.823 0.291 0.000 0.999 33 V HN 0.699 nan 8.190 nan 0.000 0.424 34 V N 3.537 123.367 119.914 -0.141 0.000 2.555 34 V HA 0.679 4.799 4.120 -0.000 0.000 0.302 34 V C -0.571 175.407 176.094 -0.194 0.000 1.038 34 V CA -0.355 61.770 62.300 -0.291 0.000 0.887 34 V CB 1.907 33.605 31.823 -0.209 0.000 0.991 34 V HN 0.934 nan 8.190 nan 0.000 0.434 35 D N 1.140 121.389 120.400 -0.251 0.000 2.583 35 D HA 0.324 4.964 4.640 -0.000 0.000 0.248 35 D C 0.427 176.598 176.300 -0.215 0.000 1.209 35 D CA -0.284 53.651 54.000 -0.107 0.000 0.848 35 D CB 2.939 43.836 40.800 0.161 0.000 1.431 35 D HN 0.393 nan 8.370 nan 0.000 0.436 36 V N -0.813 118.880 119.914 -0.369 0.000 3.406 36 V HA 0.290 4.410 4.120 -0.000 0.000 0.263 36 V C 0.481 176.535 176.094 -0.067 0.000 1.172 36 V CA 0.947 62.932 62.300 -0.525 0.000 1.140 36 V CB 0.028 31.075 31.823 -1.294 0.000 0.784 36 V HN 0.434 nan 8.190 nan 0.000 0.467 37 Q N -0.607 119.219 119.800 0.044 0.000 2.472 37 Q HA 0.374 4.714 4.340 -0.000 0.000 0.281 37 Q C 0.445 176.493 176.000 0.079 0.000 0.997 37 Q CA 0.371 56.237 55.803 0.106 0.000 0.828 37 Q CB 2.291 31.107 28.738 0.131 0.000 1.443 37 Q HN 0.404 nan 8.270 nan 0.000 0.390 38 T N -2.693 111.881 114.554 0.033 0.000 3.037 38 T HA 0.196 4.545 4.350 -0.000 0.000 0.252 38 T C 0.649 175.320 174.700 -0.048 0.000 1.073 38 T CA 0.707 62.772 62.100 -0.058 0.000 1.091 38 T CB 0.132 68.964 68.868 -0.059 0.000 0.935 38 T HN 0.454 nan 8.240 nan 0.000 0.488 39 S N 0.969 116.649 115.700 -0.033 0.000 2.661 39 S HA 0.555 5.024 4.470 -0.000 0.000 0.285 39 S C -0.537 174.033 174.600 -0.049 0.000 1.138 39 S CA -1.093 57.089 58.200 -0.030 0.000 0.855 39 S CB 0.949 64.104 63.200 -0.075 0.000 1.136 39 S HN 0.705 nan 8.310 nan 0.000 0.484 40 H N -0.383 118.700 119.070 0.022 0.000 2.836 40 H HA 0.658 5.213 4.556 -0.000 0.000 0.368 40 H C 0.781 176.106 175.328 -0.004 0.000 1.164 40 H CA 0.435 56.517 56.048 0.056 0.000 1.425 40 H CB -0.222 29.607 29.762 0.112 0.000 1.414 40 H HN 1.583 nan 8.280 nan 0.000 0.614 41 G N 0.771 109.582 108.800 0.019 0.000 2.422 41 G HA2 -0.085 3.874 3.960 -0.000 0.000 0.607 41 G HA3 -0.085 3.874 3.960 -0.000 0.000 0.607 41 G C -2.968 171.464 174.900 -0.780 0.000 1.270 41 G CA -0.844 43.973 45.100 -0.472 0.000 0.992 41 G HN 0.770 nan 8.290 nan 0.000 0.499 42 P HA 0.197 nan 4.420 nan 0.000 0.266 42 P C -1.617 175.309 177.300 -0.622 0.000 1.193 42 P CA -0.465 62.077 63.100 -0.929 0.000 0.770 42 P CB 0.534 31.888 31.700 -0.577 0.000 0.836 43 P HA 0.119 nan 4.420 nan 0.000 0.245 43 P C 0.465 177.503 177.300 -0.437 0.000 1.199 43 P CA 0.834 63.554 63.100 -0.633 0.000 0.807 43 P CB 0.222 31.530 31.700 -0.654 0.000 1.002 44 F N -2.351 117.528 119.950 -0.118 0.000 2.746 44 F HA 0.212 4.739 4.527 -0.000 0.000 0.297 44 F C 1.276 177.293 175.800 0.361 0.000 1.113 44 F CA -0.431 57.676 58.000 0.178 0.000 1.367 44 F CB -0.677 38.397 39.000 0.125 0.000 1.111 44 F HN -0.246 nan 8.300 nan 0.000 0.590 45 Y N -1.408 119.070 120.300 0.297 0.000 2.762 45 Y HA -0.363 4.187 4.550 -0.000 0.000 0.475 45 Y C 1.561 177.597 175.900 0.228 0.000 1.163 45 Y CA 0.007 58.252 58.100 0.243 0.000 2.761 45 Y CB -2.001 36.632 38.460 0.288 0.000 1.095 45 Y HN -0.016 nan 8.280 nan 0.000 0.592 46 A N 1.941 125.016 122.820 0.426 0.000 2.445 46 A HA 0.658 4.977 4.320 -0.000 0.000 0.242 46 A C 0.561 178.248 177.584 0.170 0.000 1.075 46 A CA 0.841 53.032 52.037 0.257 0.000 0.777 46 A CB 0.173 19.329 19.000 0.259 0.000 1.013 46 A HN 1.411 nan 8.150 nan 0.000 0.493 47 A N 0.650 123.529 122.820 0.097 0.000 2.791 47 A HA 0.609 4.929 4.320 -0.000 0.000 0.309 47 A C -0.800 176.781 177.584 -0.004 0.000 1.200 47 A CA -0.717 51.350 52.037 0.051 0.000 0.635 47 A CB -0.151 18.884 19.000 0.058 0.000 1.393 47 A HN 1.207 nan 8.150 nan 0.000 0.557 48 L N 1.123 122.312 121.223 -0.055 0.000 2.706 48 L HA 0.325 4.665 4.340 -0.000 0.000 0.282 48 L C 1.535 178.297 176.870 -0.181 0.000 1.219 48 L CA 2.562 57.314 54.840 -0.146 0.000 0.935 48 L CB -0.386 41.559 42.059 -0.189 0.000 1.204 48 L HN 1.891 nan 8.230 nan 0.000 0.491 49 G N 1.796 110.374 108.800 -0.369 0.000 2.195 49 G HA2 0.065 4.024 3.960 -0.000 0.000 0.224 49 G HA3 0.065 4.024 3.960 -0.000 0.000 0.224 49 G C 0.946 175.733 174.900 -0.188 0.000 0.990 49 G CA 0.285 45.098 45.100 -0.478 0.000 0.639 49 G HN 1.789 nan 8.290 nan 0.000 0.514 50 G N -1.186 107.559 108.800 -0.093 0.000 2.598 50 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.244 50 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.244 50 G C 0.885 175.798 174.900 0.021 0.000 1.302 50 G CA 1.003 46.093 45.100 -0.017 0.000 0.903 50 G HN 1.254 nan 8.290 nan 0.000 0.575 51 T N -0.326 114.255 114.554 0.044 0.000 2.812 51 T HA -0.129 4.220 4.350 -0.000 0.000 0.264 51 T C 2.484 177.187 174.700 0.006 0.000 1.042 51 T CA 2.433 64.565 62.100 0.054 0.000 1.140 51 T CB -0.642 68.275 68.868 0.083 0.000 0.870 51 T HN 1.085 nan 8.240 nan 0.000 0.445 52 C N 1.296 120.597 119.300 0.002 0.000 2.376 52 C HA -0.106 4.354 4.460 -0.000 0.000 0.275 52 C C 2.714 177.679 174.990 -0.041 0.000 1.200 52 C CA 0.931 59.941 59.018 -0.013 0.000 1.756 52 C CB -1.218 26.521 27.740 -0.003 0.000 2.050 52 C HN 0.374 nan 8.230 nan 0.000 0.460 53 V N 1.524 121.420 119.914 -0.031 0.000 2.453 53 V HA -0.110 4.010 4.120 -0.000 0.000 0.247 53 V C 2.307 178.355 176.094 -0.077 0.000 1.048 53 V CA 2.286 64.569 62.300 -0.028 0.000 1.049 53 V CB -0.642 31.199 31.823 0.030 0.000 0.672 53 V HN 0.598 nan 8.190 nan 0.000 0.457 54 N N 0.168 118.830 118.700 -0.063 0.000 2.436 54 N HA 0.029 4.769 4.740 -0.000 0.000 0.178 54 N C 0.833 176.211 175.510 -0.220 0.000 1.026 54 N CA 1.555 54.573 53.050 -0.052 0.000 0.880 54 N CB 1.035 39.575 38.487 0.089 0.000 1.061 54 N HN 0.501 nan 8.380 nan 0.000 0.434 55 V N -2.499 117.264 119.914 -0.250 0.000 2.793 55 V HA 0.749 4.868 4.120 -0.000 0.000 0.361 55 V C 0.224 176.167 176.094 -0.252 0.000 1.298 55 V CA -0.438 61.532 62.300 -0.549 0.000 1.343 55 V CB 0.588 32.392 31.823 -0.033 0.000 1.410 55 V HN 0.208 nan 8.190 nan 0.000 0.656 56 G N -0.440 108.234 108.800 -0.211 0.000 3.046 56 G HA2 0.235 4.195 3.960 -0.000 0.000 0.137 56 G HA3 0.235 4.195 3.960 -0.000 0.000 0.137 56 G C 0.712 175.619 174.900 0.011 0.000 1.207 56 G CA 0.641 45.767 45.100 0.044 0.000 1.218 56 G HN 0.222 nan 8.290 nan 0.000 0.625 57 C N 0.100 119.396 119.300 -0.006 0.000 2.376 57 C HA -0.043 4.416 4.460 -0.000 0.000 0.275 57 C C 2.906 177.823 174.990 -0.120 0.000 1.200 57 C CA 1.251 60.240 59.018 -0.047 0.000 1.756 57 C CB -1.369 26.352 27.740 -0.030 0.000 2.050 57 C HN 0.304 nan 8.230 nan 0.000 0.460 58 V N 2.271 122.114 119.914 -0.118 0.000 2.283 58 V HA -0.102 4.018 4.120 -0.000 0.000 0.243 58 V C 0.123 176.120 176.094 -0.162 0.000 1.039 58 V CA 2.465 64.681 62.300 -0.140 0.000 1.016 58 V CB -1.788 29.968 31.823 -0.112 0.000 0.650 58 V HN 0.410 nan 8.190 nan 0.000 0.449 59 P HA -0.138 nan 4.420 nan 0.000 0.220 59 P C 1.600 178.889 177.300 -0.019 0.000 1.152 59 P CA 1.229 64.221 63.100 -0.180 0.000 0.812 59 P CB -0.059 31.396 31.700 -0.408 0.000 0.792 60 K N 1.594 122.034 120.400 0.066 0.000 2.009 60 K HA -0.199 4.121 4.320 -0.000 0.000 0.210 60 K C 2.093 178.585 176.600 -0.180 0.000 1.049 60 K CA 1.948 58.232 56.287 -0.005 0.000 0.929 60 K CB -0.568 31.954 32.500 0.037 0.000 0.714 60 K HN -0.103 nan 8.250 nan 0.000 0.440 61 K N 0.997 121.250 120.400 -0.246 0.000 2.147 61 K HA -0.025 4.295 4.320 -0.000 0.000 0.205 61 K C 2.241 178.714 176.600 -0.211 0.000 1.049 61 K CA 1.034 57.113 56.287 -0.347 0.000 0.936 61 K CB -0.225 31.982 32.500 -0.488 0.000 0.722 61 K HN 0.215 nan 8.250 nan 0.000 0.446 62 L N -0.223 120.903 121.223 -0.161 0.000 2.093 62 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 62 L C 2.422 179.236 176.870 -0.093 0.000 1.085 62 L CA 1.281 56.054 54.840 -0.112 0.000 0.755 62 L CB -0.308 41.681 42.059 -0.117 0.000 0.904 62 L HN 0.240 nan 8.230 nan 0.000 0.435 63 M N -1.400 118.121 119.600 -0.133 0.000 2.288 63 M HA -0.117 4.363 4.480 -0.000 0.000 0.266 63 M C 2.203 178.454 176.300 -0.082 0.000 1.072 63 M CA 0.957 56.167 55.300 -0.150 0.000 1.132 63 M CB -0.120 32.332 32.600 -0.247 0.000 1.386 63 M HN 0.021 nan 8.290 nan 0.000 0.432 64 V N -0.040 119.799 119.914 -0.124 0.000 2.358 64 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 64 V C 2.280 178.348 176.094 -0.044 0.000 1.047 64 V CA 2.085 64.336 62.300 -0.083 0.000 1.035 64 V CB -0.923 30.847 31.823 -0.088 0.000 0.658 64 V HN 0.475 nan 8.190 nan 0.000 0.452 65 T N 0.432 114.951 114.554 -0.057 0.000 2.720 65 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 65 T C 1.937 176.622 174.700 -0.025 0.000 1.037 65 T CA 1.621 63.678 62.100 -0.071 0.000 1.144 65 T CB -0.700 68.145 68.868 -0.040 0.000 0.864 65 T HN 0.618 nan 8.240 nan 0.000 0.444 66 G N 1.267 110.159 108.800 0.154 0.000 2.446 66 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.217 66 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.217 66 G C 1.860 177.003 174.900 0.406 0.000 1.168 66 G CA 1.011 46.360 45.100 0.415 0.000 0.771 66 G HN 0.593 nan 8.290 nan 0.000 0.551 67 A N 0.084 123.098 122.820 0.324 0.000 1.908 67 A HA -0.136 4.183 4.320 -0.000 0.000 0.218 67 A C 2.322 179.901 177.584 -0.009 0.000 1.181 67 A CA 2.363 54.506 52.037 0.176 0.000 0.627 67 A CB -0.520 18.573 19.000 0.156 0.000 0.818 67 A HN 0.409 nan 8.150 nan 0.000 0.445 68 Q N -0.793 118.938 119.800 -0.116 0.000 2.248 68 Q HA -0.207 4.133 4.340 -0.000 0.000 0.208 68 Q C 1.453 177.247 176.000 -0.343 0.000 0.984 68 Q CA 1.964 57.591 55.803 -0.293 0.000 0.875 68 Q CB -0.799 27.707 28.738 -0.386 0.000 0.910 68 Q HN 0.747 nan 8.270 nan 0.000 0.433 69 Y N -0.607 119.684 120.300 -0.014 0.000 2.384 69 Y HA -0.172 4.378 4.550 -0.000 0.000 0.289 69 Y C 2.211 178.106 175.900 -0.007 0.000 1.152 69 Y CA 1.331 59.457 58.100 0.044 0.000 1.258 69 Y CB -0.513 37.965 38.460 0.030 0.000 0.979 69 Y HN 0.217 nan 8.280 nan 0.000 0.549 70 M N -0.014 119.620 119.600 0.056 0.000 2.108 70 M HA -0.272 4.208 4.480 -0.000 0.000 0.261 70 M C 1.159 177.491 176.300 0.053 0.000 1.066 70 M CA 2.159 57.477 55.300 0.029 0.000 1.107 70 M CB -0.056 32.532 32.600 -0.020 0.000 1.356 70 M HN 0.123 nan 8.290 nan 0.000 0.406 71 D N -1.015 119.375 120.400 -0.017 0.000 2.137 71 D HA -0.131 4.509 4.640 -0.000 0.000 0.202 71 D C 1.945 178.282 176.300 0.062 0.000 0.970 71 D CA 1.097 55.092 54.000 -0.008 0.000 0.837 71 D CB -0.443 40.292 40.800 -0.108 0.000 0.981 71 D HN 0.416 nan 8.370 nan 0.000 0.475 72 H N 0.368 119.475 119.070 0.061 0.000 2.321 72 H HA -0.006 4.550 4.556 -0.000 0.000 0.300 72 H C 2.318 177.713 175.328 0.111 0.000 1.087 72 H CA 0.737 56.822 56.048 0.062 0.000 1.319 72 H CB -0.514 29.273 29.762 0.040 0.000 1.379 72 H HN 0.163 nan 8.280 nan 0.000 0.501 73 L N 0.116 121.502 121.223 0.271 0.000 2.017 73 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 73 L C 2.817 179.914 176.870 0.378 0.000 1.073 73 L CA 1.398 56.413 54.840 0.292 0.000 0.745 73 L CB -0.428 41.785 42.059 0.257 0.000 0.894 73 L HN 0.167 nan 8.230 nan 0.000 0.432 74 R N 0.683 121.339 120.500 0.259 0.000 2.091 74 R HA -0.192 4.148 4.340 -0.000 0.000 0.238 74 R C 2.044 178.480 176.300 0.228 0.000 1.136 74 R CA 1.773 57.997 56.100 0.207 0.000 0.959 74 R CB -0.070 30.318 30.300 0.147 0.000 0.856 74 R HN 0.410 nan 8.270 nan 0.000 0.437 75 E N -0.050 120.301 120.200 0.253 0.000 2.285 75 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 75 E C 1.894 178.742 176.600 0.413 0.000 0.997 75 E CA 0.996 57.580 56.400 0.306 0.000 0.845 75 E CB 0.172 30.062 29.700 0.317 0.000 0.782 75 E HN 0.476 nan 8.360 nan 0.000 0.491 76 S N 1.143 117.061 115.700 0.363 0.000 2.400 76 S HA -0.181 4.289 4.470 -0.000 0.000 0.232 76 S C 2.228 177.167 174.600 0.565 0.000 1.025 76 S CA 0.934 59.389 58.200 0.426 0.000 0.993 76 S CB -0.220 63.124 63.200 0.241 0.000 0.808 76 S HN 0.277 nan 8.310 nan 0.000 0.478 77 A N 1.861 124.915 122.820 0.391 0.000 1.972 77 A HA 0.210 4.530 4.320 -0.000 0.000 0.219 77 A C 2.394 180.100 177.584 0.203 0.000 1.169 77 A CA 1.456 53.650 52.037 0.261 0.000 0.635 77 A CB -1.731 17.329 19.000 0.100 0.000 0.810 77 A HN 0.684 nan 8.150 nan 0.000 0.446 78 G N -1.356 107.556 108.800 0.187 0.000 2.462 78 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.220 78 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.220 78 G C 0.984 175.773 174.900 -0.185 0.000 1.121 78 G CA 0.886 45.967 45.100 -0.031 0.000 0.758 78 G HN 0.512 nan 8.290 nan 0.000 0.559 79 F N 0.398 120.459 119.950 0.185 0.000 2.645 79 F HA 0.391 4.918 4.527 -0.000 0.000 0.300 79 F C 1.829 177.701 175.800 0.121 0.000 1.115 79 F CA 0.287 58.398 58.000 0.183 0.000 1.355 79 F CB 0.649 39.810 39.000 0.269 0.000 1.026 79 F HN 0.224 nan 8.300 nan 0.000 0.536 80 G N -1.084 107.829 108.800 0.188 0.000 2.176 80 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.232 80 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.232 80 G C -0.172 174.706 174.900 -0.037 0.000 0.986 80 G CA -0.747 44.361 45.100 0.013 0.000 0.643 80 G HN 0.258 nan 8.290 nan 0.000 0.522 81 W N 1.489 122.894 121.300 0.176 0.000 2.287 81 W HA 0.633 5.293 4.660 -0.000 0.000 0.313 81 W C 0.640 177.280 176.519 0.201 0.000 1.267 81 W CA -0.248 57.224 57.345 0.213 0.000 1.201 81 W CB 0.650 30.276 29.460 0.277 0.000 1.196 81 W HN 0.145 nan 8.180 nan 0.000 0.536 82 E N 3.346 123.785 120.200 0.398 0.000 2.248 82 E HA 0.644 4.994 4.350 -0.000 0.000 0.267 82 E C -0.997 175.840 176.600 0.394 0.000 0.877 82 E CA -0.946 55.580 56.400 0.210 0.000 0.759 82 E CB 1.954 31.709 29.700 0.090 0.000 1.182 82 E HN 0.294 nan 8.360 nan 0.000 0.418 83 F N -1.269 118.754 119.950 0.122 0.000 2.842 83 F HA 0.258 4.785 4.527 -0.000 0.000 0.319 83 F C -1.291 174.553 175.800 0.073 0.000 1.159 83 F CA -1.438 56.621 58.000 0.099 0.000 0.902 83 F CB 0.569 39.635 39.000 0.110 0.000 1.311 83 F HN 0.174 nan 8.300 nan 0.000 0.453 84 D N 1.391 121.937 120.400 0.244 0.000 2.416 84 D HA 0.270 4.910 4.640 -0.000 0.000 0.240 84 D C 1.479 177.852 176.300 0.123 0.000 1.250 84 D CA 0.831 54.899 54.000 0.113 0.000 0.967 84 D CB 0.939 41.813 40.800 0.124 0.000 1.059 84 D HN 0.890 nan 8.370 nan 0.000 0.512 85 G N 2.359 111.119 108.800 -0.067 0.000 2.545 85 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.222 85 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.222 85 G C 1.636 176.566 174.900 0.050 0.000 1.126 85 G CA 0.811 45.886 45.100 -0.042 0.000 0.754 85 G HN 0.509 nan 8.290 nan 0.000 0.583 86 S N 0.562 116.285 115.700 0.039 0.000 2.400 86 S HA -0.136 4.334 4.470 -0.000 0.000 0.232 86 S C 2.634 177.273 174.600 0.065 0.000 1.025 86 S CA 1.616 59.844 58.200 0.046 0.000 0.993 86 S CB -0.234 62.987 63.200 0.035 0.000 0.808 86 S HN 0.700 nan 8.310 nan 0.000 0.478 87 S N 0.398 116.153 115.700 0.092 0.000 2.562 87 S HA 0.122 4.592 4.470 -0.000 0.000 0.221 87 S C 0.537 175.192 174.600 0.093 0.000 0.975 87 S CA -0.224 58.030 58.200 0.090 0.000 0.918 87 S CB -0.282 62.978 63.200 0.099 0.000 0.772 87 S HN 0.134 nan 8.310 nan 0.000 0.531 88 V N 2.969 122.953 119.914 0.116 0.000 2.479 88 V HA 0.329 4.449 4.120 -0.000 0.000 0.281 88 V C 0.177 176.313 176.094 0.071 0.000 1.031 88 V CA 0.184 62.552 62.300 0.113 0.000 1.038 88 V CB 0.565 32.492 31.823 0.173 0.000 0.981 88 V HN 0.418 nan 8.190 nan 0.000 0.478 89 K N 4.115 124.547 120.400 0.054 0.000 2.469 89 K HA 0.767 5.086 4.320 -0.000 0.000 0.254 89 K C -1.003 175.625 176.600 0.047 0.000 0.939 89 K CA -0.726 55.593 56.287 0.053 0.000 0.812 89 K CB 2.289 34.825 32.500 0.061 0.000 1.301 89 K HN 0.644 nan 8.250 nan 0.000 0.433 90 A N 3.366 126.221 122.820 0.057 0.000 2.256 90 A HA 0.277 4.597 4.320 -0.000 0.000 0.317 90 A C -0.704 177.046 177.584 0.277 0.000 1.318 90 A CA -0.672 51.403 52.037 0.064 0.000 0.894 90 A CB 0.263 19.178 19.000 -0.142 0.000 1.165 90 A HN 0.651 nan 8.150 nan 0.000 0.525 91 N N 3.265 122.156 118.700 0.318 0.000 2.589 91 N HA 0.005 4.745 4.740 -0.000 0.000 0.232 91 N C 0.785 176.533 175.510 0.397 0.000 1.015 91 N CA -0.698 52.536 53.050 0.306 0.000 0.931 91 N CB 0.283 38.874 38.487 0.174 0.000 1.150 91 N HN 0.879 nan 8.380 nan 0.000 0.512 92 W N 4.801 126.231 121.300 0.218 0.000 2.338 92 W HA -0.171 4.488 4.660 -0.001 0.000 0.304 92 W C 0.700 177.219 176.519 0.001 0.000 1.212 92 W CA 1.136 58.509 57.345 0.046 0.000 1.264 92 W CB 0.312 29.817 29.460 0.075 0.000 1.142 92 W HN 0.514 nan 8.180 nan 0.000 0.512 93 K N 0.318 120.825 120.400 0.178 0.000 2.097 93 K HA -0.218 4.102 4.320 -0.000 0.000 0.206 93 K C 1.973 178.540 176.600 -0.055 0.000 1.049 93 K CA 1.586 57.895 56.287 0.037 0.000 0.933 93 K CB -0.276 32.298 32.500 0.124 0.000 0.717 93 K HN -0.093 nan 8.250 nan 0.000 0.442 94 K N 1.139 121.537 120.400 -0.003 0.000 2.057 94 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 94 K C 1.939 178.483 176.600 -0.094 0.000 1.050 94 K CA 0.727 57.001 56.287 -0.021 0.000 0.935 94 K CB -0.280 32.236 32.500 0.028 0.000 0.715 94 K HN 0.001 nan 8.250 nan 0.000 0.439 95 L N 0.580 121.713 121.223 -0.150 0.000 1.989 95 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 95 L C 1.786 178.429 176.870 -0.379 0.000 1.071 95 L CA 1.706 56.377 54.840 -0.282 0.000 0.749 95 L CB -0.443 41.325 42.059 -0.486 0.000 0.890 95 L HN 0.170 nan 8.230 nan 0.000 0.431 96 I N 0.145 120.397 120.570 -0.530 0.000 2.226 96 I HA -0.236 3.933 4.170 -0.000 0.000 0.245 96 I C 2.696 178.659 176.117 -0.258 0.000 1.100 96 I CA 1.507 62.513 61.300 -0.489 0.000 1.374 96 I CB -1.977 35.674 38.000 -0.581 0.000 1.057 96 I HN 0.412 nan 8.210 nan 0.000 0.413 97 A N 0.669 123.387 122.820 -0.171 0.000 1.930 97 A HA -0.062 4.257 4.320 -0.000 0.000 0.217 97 A C 2.553 180.086 177.584 -0.085 0.000 1.175 97 A CA 1.796 53.784 52.037 -0.082 0.000 0.627 97 A CB -0.661 18.314 19.000 -0.041 0.000 0.815 97 A HN 0.404 nan 8.150 nan 0.000 0.443 98 A N -0.142 122.614 122.820 -0.108 0.000 1.898 98 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 98 A C 2.168 179.680 177.584 -0.119 0.000 1.181 98 A CA 1.823 53.804 52.037 -0.094 0.000 0.620 98 A CB -0.420 18.530 19.000 -0.084 0.000 0.819 98 A HN 0.402 nan 8.150 nan 0.000 0.442 99 K N 0.292 120.590 120.400 -0.171 0.000 2.032 99 K HA -0.222 4.098 4.320 -0.000 0.000 0.209 99 K C 1.568 178.028 176.600 -0.233 0.000 1.048 99 K CA 1.988 58.150 56.287 -0.208 0.000 0.927 99 K CB -0.502 31.843 32.500 -0.259 0.000 0.712 99 K HN 0.415 nan 8.250 nan 0.000 0.441 100 N N 1.428 120.004 118.700 -0.208 0.000 2.104 100 N HA -0.191 4.549 4.740 -0.000 0.000 0.190 100 N C 1.777 177.246 175.510 -0.068 0.000 1.024 100 N CA 1.525 54.467 53.050 -0.180 0.000 0.853 100 N CB -0.398 38.127 38.487 0.063 0.000 1.008 100 N HN 0.374 nan 8.380 nan 0.000 0.424 101 E N 1.001 121.179 120.200 -0.036 0.000 2.038 101 E HA -0.066 4.284 4.350 -0.000 0.000 0.195 101 E C 1.813 178.389 176.600 -0.040 0.000 1.000 101 E CA 1.556 57.947 56.400 -0.014 0.000 0.803 101 E CB -0.458 29.229 29.700 -0.021 0.000 0.750 101 E HN 0.300 nan 8.360 nan 0.000 0.448 102 A N 0.097 122.870 122.820 -0.078 0.000 1.948 102 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 102 A C 2.516 180.046 177.584 -0.090 0.000 1.177 102 A CA 1.860 53.846 52.037 -0.084 0.000 0.636 102 A CB -0.803 18.137 19.000 -0.100 0.000 0.815 102 A HN 0.233 nan 8.150 nan 0.000 0.449 103 V N -0.619 119.209 119.914 -0.143 0.000 2.379 103 V HA -0.174 3.946 4.120 -0.000 0.000 0.245 103 V C 2.440 178.536 176.094 0.003 0.000 1.044 103 V CA 1.722 63.931 62.300 -0.151 0.000 1.036 103 V CB -0.674 30.917 31.823 -0.386 0.000 0.664 103 V HN 0.576 nan 8.190 nan 0.000 0.453 104 L N 0.544 121.817 121.223 0.083 0.000 2.042 104 L HA -0.201 4.138 4.340 -0.000 0.000 0.210 104 L C 2.065 178.973 176.870 0.062 0.000 1.076 104 L CA 2.083 57.022 54.840 0.165 0.000 0.749 104 L CB -0.953 41.210 42.059 0.175 0.000 0.893 104 L HN 0.305 nan 8.230 nan 0.000 0.432 105 D N -0.269 120.140 120.400 0.015 0.000 2.116 105 D HA -0.236 4.404 4.640 -0.000 0.000 0.193 105 D C 2.268 178.547 176.300 -0.035 0.000 0.998 105 D CA 2.068 56.057 54.000 -0.019 0.000 0.836 105 D CB -0.193 40.583 40.800 -0.039 0.000 0.951 105 D HN 0.457 nan 8.370 nan 0.000 0.449 106 I N 0.582 121.137 120.570 -0.024 0.000 2.252 106 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 106 I C 1.912 178.072 176.117 0.070 0.000 1.102 106 I CA 0.808 62.092 61.300 -0.026 0.000 1.385 106 I CB -0.302 37.706 38.000 0.013 0.000 1.064 106 I HN 0.001 nan 8.210 nan 0.000 0.414 107 N N 0.894 119.662 118.700 0.113 0.000 2.061 107 N HA -0.242 4.498 4.740 -0.000 0.000 0.193 107 N C 1.796 177.354 175.510 0.080 0.000 1.030 107 N CA 1.438 54.567 53.050 0.132 0.000 0.856 107 N CB -0.092 38.457 38.487 0.103 0.000 1.023 107 N HN 0.311 nan 8.380 nan 0.000 0.424 108 K N 0.390 120.807 120.400 0.027 0.000 2.057 108 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 108 K C 2.461 179.044 176.600 -0.029 0.000 1.050 108 K CA 1.464 57.749 56.287 -0.003 0.000 0.935 108 K CB -0.097 32.396 32.500 -0.012 0.000 0.715 108 K HN 0.253 nan 8.250 nan 0.000 0.439 109 S N 0.231 115.882 115.700 -0.082 0.000 2.368 109 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 109 S C 1.977 176.464 174.600 -0.188 0.000 1.030 109 S CA 0.890 58.989 58.200 -0.170 0.000 0.999 109 S CB -0.656 62.386 63.200 -0.263 0.000 0.844 109 S HN 0.226 nan 8.310 nan 0.000 0.459 110 Y N 2.075 122.331 120.300 -0.073 0.000 2.224 110 Y HA 0.001 4.550 4.550 -0.000 0.000 0.289 110 Y C 2.733 178.642 175.900 0.014 0.000 1.146 110 Y CA 1.240 59.303 58.100 -0.062 0.000 1.182 110 Y CB -0.599 37.840 38.460 -0.035 0.000 0.983 110 Y HN 0.410 nan 8.280 nan 0.000 0.524 111 E N -0.514 119.762 120.200 0.127 0.000 2.058 111 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 111 E C 2.544 179.198 176.600 0.089 0.000 0.997 111 E CA 1.080 57.519 56.400 0.065 0.000 0.801 111 E CB -0.488 29.207 29.700 -0.009 0.000 0.746 111 E HN 0.520 nan 8.360 nan 0.000 0.450 112 G N 1.357 110.175 108.800 0.031 0.000 2.446 112 G HA2 -0.336 3.623 3.960 -0.000 0.000 0.217 112 G HA3 -0.336 3.623 3.960 -0.000 0.000 0.217 112 G C 1.533 176.448 174.900 0.025 0.000 1.168 112 G CA 0.987 46.095 45.100 0.014 0.000 0.771 112 G HN 0.274 nan 8.290 nan 0.000 0.551 113 M N -0.587 119.002 119.600 -0.019 0.000 2.088 113 M HA -0.117 4.362 4.480 -0.000 0.000 0.256 113 M C 2.338 178.643 176.300 0.010 0.000 1.071 113 M CA 1.832 57.106 55.300 -0.044 0.000 1.097 113 M CB -0.302 32.195 32.600 -0.171 0.000 1.315 113 M HN 0.200 nan 8.290 nan 0.000 0.406 114 F N 0.916 120.915 119.950 0.081 0.000 2.234 114 F HA -0.164 4.362 4.527 -0.000 0.000 0.299 114 F C 2.174 178.009 175.800 0.058 0.000 1.087 114 F CA 1.322 59.373 58.000 0.085 0.000 1.340 114 F CB -0.809 38.224 39.000 0.056 0.000 1.031 114 F HN 0.323 nan 8.300 nan 0.000 0.500 115 N N 0.050 118.879 118.700 0.214 0.000 2.216 115 N HA -0.129 4.611 4.740 -0.000 0.000 0.183 115 N C 1.332 176.898 175.510 0.094 0.000 1.017 115 N CA 1.334 54.456 53.050 0.121 0.000 0.861 115 N CB -0.397 38.135 38.487 0.074 0.000 0.986 115 N HN 0.221 nan 8.380 nan 0.000 0.428 116 D N -0.368 120.085 120.400 0.087 0.000 2.183 116 D HA 0.024 4.664 4.640 -0.000 0.000 0.205 116 D C 0.117 176.458 176.300 0.068 0.000 0.962 116 D CA 0.786 54.825 54.000 0.065 0.000 0.849 116 D CB -0.117 40.716 40.800 0.054 0.000 0.978 116 D HN 0.059 nan 8.370 nan 0.000 0.488 117 T N 1.281 115.887 114.554 0.087 0.000 2.771 117 T HA 0.212 4.562 4.350 -0.000 0.000 0.291 117 T C 0.075 174.804 174.700 0.048 0.000 0.954 117 T CA -0.533 61.603 62.100 0.061 0.000 1.045 117 T CB 1.929 70.846 68.868 0.080 0.000 0.917 117 T HN -0.171 nan 8.240 nan 0.000 0.484 118 E N 1.931 122.136 120.200 0.009 0.000 2.366 118 E HA 0.373 4.723 4.350 -0.000 0.000 0.266 118 E C 1.248 177.855 176.600 0.012 0.000 1.015 118 E CA 0.982 57.389 56.400 0.013 0.000 0.906 118 E CB -0.221 29.475 29.700 -0.008 0.000 0.979 118 E HN 0.881 nan 8.360 nan 0.000 0.443 119 G N 3.675 112.515 108.800 0.066 0.000 2.160 119 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.251 119 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.251 119 G C -0.339 174.646 174.900 0.142 0.000 1.008 119 G CA 0.357 45.516 45.100 0.099 0.000 0.724 119 G HN 0.531 nan 8.290 nan 0.000 0.514 120 L N 0.943 122.270 121.223 0.174 0.000 2.485 120 L HA 0.694 5.034 4.340 -0.000 0.000 0.260 120 L C -1.312 175.802 176.870 0.408 0.000 0.998 120 L CA -1.053 53.938 54.840 0.252 0.000 0.883 120 L CB 1.449 43.596 42.059 0.146 0.000 1.196 120 L HN 0.028 nan 8.230 nan 0.000 0.443 121 D N 3.373 124.004 120.400 0.385 0.000 2.248 121 D HA 0.390 5.030 4.640 -0.000 0.000 0.246 121 D C -1.176 175.144 176.300 0.033 0.000 1.027 121 D CA 0.195 54.338 54.000 0.238 0.000 0.853 121 D CB 1.879 42.809 40.800 0.216 0.000 1.243 121 D HN 0.274 nan 8.370 nan 0.000 0.462 122 F N 1.979 121.630 119.950 -0.500 0.000 2.436 122 F HA 0.550 5.076 4.527 -0.000 0.000 0.340 122 F C -1.330 173.988 175.800 -0.804 0.000 1.113 122 F CA -0.834 56.685 58.000 -0.802 0.000 1.022 122 F CB 0.524 38.837 39.000 -1.144 0.000 1.128 122 F HN 0.122 nan 8.300 nan 0.000 0.466 123 F N 6.620 125.889 119.950 -1.135 0.000 2.482 123 F HA 0.476 5.003 4.527 -0.000 0.000 0.331 123 F C -0.795 174.294 175.800 -1.185 0.000 1.115 123 F CA -1.021 56.472 58.000 -0.846 0.000 0.955 123 F CB 1.694 40.407 39.000 -0.478 0.000 1.136 123 F HN 0.309 nan 8.300 nan 0.000 0.452 124 L N 3.543 124.443 121.223 -0.538 0.000 2.264 124 L HA 0.887 5.227 4.340 -0.000 0.000 0.289 124 L C 0.010 176.789 176.870 -0.152 0.000 1.044 124 L CA 0.435 55.089 54.840 -0.310 0.000 0.807 124 L CB 0.390 42.436 42.059 -0.021 0.000 1.192 124 L HN 0.770 nan 8.230 nan 0.000 0.425 125 G N 3.106 111.792 108.800 -0.189 0.000 2.339 125 G HA2 0.006 3.966 3.960 -0.000 0.000 0.275 125 G HA3 0.006 3.966 3.960 -0.000 0.000 0.275 125 G C -2.182 172.550 174.900 -0.279 0.000 1.323 125 G CA -0.766 44.272 45.100 -0.105 0.000 0.927 125 G HN 0.466 nan 8.290 nan 0.000 0.486 126 W N 1.223 122.449 121.300 -0.123 0.000 2.294 126 W HA 0.601 5.261 4.660 -0.000 0.000 0.314 126 W C 0.672 177.120 176.519 -0.119 0.000 1.044 126 W CA 0.185 57.443 57.345 -0.145 0.000 1.284 126 W CB 1.791 31.150 29.460 -0.167 0.000 1.231 126 W HN 0.865 nan 8.180 nan 0.000 0.419 127 G N 2.046 110.865 108.800 0.031 0.000 2.395 127 G HA2 0.559 4.518 3.960 -0.000 0.000 0.283 127 G HA3 0.559 4.518 3.960 -0.000 0.000 0.283 127 G C -0.432 174.488 174.900 0.033 0.000 1.178 127 G CA -0.389 44.710 45.100 -0.000 0.000 0.837 127 G HN 0.423 nan 8.290 nan 0.000 0.518 128 S N 0.349 116.055 115.700 0.011 0.000 2.638 128 S HA 0.607 5.077 4.470 -0.000 0.000 0.274 128 S C -1.277 173.316 174.600 -0.011 0.000 1.157 128 S CA -0.930 57.274 58.200 0.006 0.000 0.826 128 S CB 1.723 64.925 63.200 0.004 0.000 1.139 128 S HN 0.352 nan 8.310 nan 0.000 0.474 129 L N 2.104 123.320 121.223 -0.012 0.000 2.268 129 L HA 0.502 4.842 4.340 -0.000 0.000 0.289 129 L C 1.362 178.220 176.870 -0.020 0.000 1.064 129 L CA 0.162 54.991 54.840 -0.018 0.000 0.824 129 L CB 0.450 42.498 42.059 -0.018 0.000 1.202 129 L HN 1.054 nan 8.230 nan 0.000 0.433 130 E N 1.684 121.871 120.200 -0.022 0.000 2.033 130 E HA 0.001 4.350 4.350 -0.000 0.000 0.189 130 E C 0.186 176.773 176.600 -0.022 0.000 0.979 130 E CA 0.871 57.258 56.400 -0.022 0.000 0.802 130 E CB 0.485 30.172 29.700 -0.022 0.000 0.763 130 E HN 0.710 nan 8.360 nan 0.000 0.449 131 S N -1.795 113.891 115.700 -0.024 0.000 2.688 131 S HA 0.240 4.709 4.470 -0.000 0.000 0.275 131 S C 0.310 174.891 174.600 -0.030 0.000 1.175 131 S CA -0.708 57.477 58.200 -0.026 0.000 0.818 131 S CB 1.238 64.423 63.200 -0.024 0.000 1.157 131 S HN 0.120 nan 8.310 nan 0.000 0.482 132 K N 0.547 120.925 120.400 -0.036 0.000 2.173 132 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 132 K C 0.412 176.984 176.600 -0.047 0.000 1.046 132 K CA 2.165 58.424 56.287 -0.048 0.000 0.929 132 K CB -0.441 32.028 32.500 -0.052 0.000 0.720 132 K HN 0.667 nan 8.250 nan 0.000 0.453 133 N N -0.723 117.957 118.700 -0.034 0.000 2.291 133 N HA 0.139 4.878 4.740 -0.000 0.000 0.244 133 N C -1.821 173.684 175.510 -0.008 0.000 1.216 133 N CA -0.363 52.672 53.050 -0.024 0.000 0.879 133 N CB 1.918 40.388 38.487 -0.028 0.000 1.167 133 N HN -0.161 nan 8.380 nan 0.000 0.515 134 V N 1.126 121.033 119.914 -0.013 0.000 2.612 134 V HA 0.334 4.454 4.120 -0.000 0.000 0.301 134 V C -0.577 175.505 176.094 -0.021 0.000 1.059 134 V CA -0.827 61.466 62.300 -0.012 0.000 0.886 134 V CB 2.198 34.011 31.823 -0.017 0.000 1.007 134 V HN -0.214 nan 8.190 nan 0.000 0.426 135 V N 5.675 125.571 119.914 -0.029 0.000 2.439 135 V HA 0.481 4.601 4.120 -0.000 0.000 0.282 135 V C -0.024 176.032 176.094 -0.063 0.000 1.039 135 V CA -0.501 61.772 62.300 -0.046 0.000 0.913 135 V CB 1.945 33.730 31.823 -0.063 0.000 0.983 135 V HN 0.608 nan 8.190 nan 0.000 0.460 136 V N 5.708 125.593 119.914 -0.048 0.000 2.427 136 V HA 0.415 4.534 4.120 -0.000 0.000 0.286 136 V C -0.075 175.993 176.094 -0.044 0.000 1.034 136 V CA -0.562 61.711 62.300 -0.046 0.000 0.893 136 V CB 1.829 33.636 31.823 -0.026 0.000 0.982 136 V HN 0.603 nan 8.190 nan 0.000 0.452 137 V N 6.214 126.095 119.914 -0.056 0.000 2.370 137 V HA 0.532 4.652 4.120 -0.000 0.000 0.279 137 V C 0.230 176.334 176.094 0.017 0.000 1.029 137 V CA -0.621 61.661 62.300 -0.030 0.000 0.870 137 V CB 1.181 32.961 31.823 -0.072 0.000 0.984 137 V HN 0.822 nan 8.190 nan 0.000 0.451 138 R N 2.409 122.948 120.500 0.066 0.000 2.873 138 R HA 0.461 4.801 4.340 -0.000 0.000 0.264 138 R C 0.667 177.053 176.300 0.143 0.000 1.026 138 R CA -0.792 55.352 56.100 0.073 0.000 1.002 138 R CB 2.011 32.331 30.300 0.033 0.000 1.174 138 R HN 0.694 nan 8.270 nan 0.000 0.488 139 E N 0.157 120.418 120.200 0.101 0.000 2.204 139 E HA -0.092 4.257 4.350 -0.000 0.000 0.194 139 E C 0.443 177.153 176.600 0.182 0.000 0.989 139 E CA 1.311 57.797 56.400 0.144 0.000 0.824 139 E CB 0.322 30.072 29.700 0.084 0.000 0.756 139 E HN 0.610 nan 8.360 nan 0.000 0.477 140 T N -4.854 109.670 114.554 -0.050 0.000 2.812 140 T HA 0.551 4.901 4.350 -0.000 0.000 0.294 140 T C 0.816 174.902 174.700 -1.023 0.000 1.159 140 T CA -0.338 61.447 62.100 -0.525 0.000 1.008 140 T CB 1.505 70.185 68.868 -0.313 0.000 1.289 140 T HN -0.122 nan 8.240 nan 0.000 0.514 141 A N 0.157 121.922 122.820 -1.758 0.000 2.084 141 A HA 0.038 4.358 4.320 -0.000 0.000 0.221 141 A C 1.061 178.320 177.584 -0.541 0.000 1.161 141 A CA 1.360 52.661 52.037 -1.226 0.000 0.653 141 A CB -1.037 17.166 19.000 -1.328 0.000 0.802 141 A HN 0.867 nan 8.150 nan 0.000 0.457 142 D N -0.116 120.030 120.400 -0.422 0.000 2.371 142 D HA 0.117 4.757 4.640 -0.000 0.000 0.256 142 D C -1.529 174.668 176.300 -0.172 0.000 1.193 142 D CA -1.917 51.941 54.000 -0.237 0.000 0.881 142 D CB 1.099 41.792 40.800 -0.179 0.000 1.143 142 D HN 0.118 nan 8.370 nan 0.000 0.473 143 P HA -0.080 nan 4.420 nan 0.000 0.234 143 P C 0.341 177.601 177.300 -0.065 0.000 1.167 143 P CA 0.776 63.825 63.100 -0.085 0.000 0.763 143 P CB 0.309 31.968 31.700 -0.069 0.000 0.835 144 K N -0.058 120.301 120.400 -0.068 0.000 2.404 144 K HA 0.086 4.406 4.320 -0.000 0.000 0.194 144 K C 1.135 177.707 176.600 -0.046 0.000 1.023 144 K CA -0.073 56.184 56.287 -0.050 0.000 1.094 144 K CB 0.095 32.568 32.500 -0.045 0.000 0.841 144 K HN 0.189 nan 8.250 nan 0.000 0.523 145 S N 0.615 116.279 115.700 -0.060 0.000 2.608 145 S HA 0.400 4.870 4.470 -0.000 0.000 0.261 145 S C 0.493 175.081 174.600 -0.021 0.000 1.314 145 S CA -0.975 57.198 58.200 -0.045 0.000 0.992 145 S CB 0.981 64.140 63.200 -0.067 0.000 0.935 145 S HN 0.179 nan 8.310 nan 0.000 0.564 146 A N 0.943 123.761 122.820 -0.004 0.000 2.498 146 A HA 0.449 4.769 4.320 -0.000 0.000 0.239 146 A C 0.156 177.750 177.584 0.016 0.000 1.068 146 A CA -0.633 51.409 52.037 0.008 0.000 0.766 146 A CB -0.324 18.686 19.000 0.017 0.000 1.003 146 A HN 0.865 nan 8.150 nan 0.000 0.497 147 V N 3.861 123.783 119.914 0.014 0.000 2.508 147 V HA 0.055 4.175 4.120 -0.000 0.000 0.281 147 V C 1.059 177.171 176.094 0.029 0.000 1.041 147 V CA 0.304 62.613 62.300 0.016 0.000 1.016 147 V CB 0.759 32.587 31.823 0.007 0.000 0.984 147 V HN 1.056 nan 8.190 nan 0.000 0.478 148 K N 2.789 123.208 120.400 0.032 0.000 2.168 148 K HA 0.243 4.563 4.320 -0.000 0.000 0.201 148 K C 0.237 176.860 176.600 0.037 0.000 1.049 148 K CA 0.459 56.773 56.287 0.046 0.000 0.974 148 K CB 0.415 32.949 32.500 0.056 0.000 0.792 148 K HN 0.639 nan 8.250 nan 0.000 0.463 149 E N 0.362 120.560 120.200 -0.003 0.000 2.433 149 E HA 0.335 4.684 4.350 -0.000 0.000 0.278 149 E C -1.110 175.444 176.600 -0.078 0.000 0.976 149 E CA -0.611 55.761 56.400 -0.047 0.000 0.793 149 E CB 2.319 31.932 29.700 -0.145 0.000 1.311 149 E HN -0.015 nan 8.360 nan 0.000 0.460 150 R N 1.045 121.495 120.500 -0.082 0.000 2.480 150 R HA 0.541 4.881 4.340 -0.000 0.000 0.306 150 R C -0.654 175.588 176.300 -0.097 0.000 0.958 150 R CA -0.565 55.488 56.100 -0.078 0.000 0.861 150 R CB 1.240 31.518 30.300 -0.037 0.000 1.171 150 R HN 0.284 nan 8.270 nan 0.000 0.445 151 L N 3.879 125.040 121.223 -0.103 0.000 2.305 151 L HA 0.394 4.734 4.340 -0.000 0.000 0.284 151 L C -0.111 176.794 176.870 0.058 0.000 1.013 151 L CA -0.840 53.984 54.840 -0.026 0.000 0.819 151 L CB 1.748 43.700 42.059 -0.178 0.000 1.227 151 L HN 0.426 nan 8.230 nan 0.000 0.417 152 Q N 2.641 122.499 119.800 0.098 0.000 2.259 152 Q HA 0.760 5.099 4.340 -0.000 0.000 0.246 152 Q C -0.447 175.641 176.000 0.146 0.000 0.920 152 Q CA -0.592 55.252 55.803 0.069 0.000 0.895 152 Q CB 2.074 30.821 28.738 0.016 0.000 1.220 152 Q HN 0.716 nan 8.270 nan 0.000 0.439 153 A N 1.782 124.664 122.820 0.103 0.000 2.429 153 A HA 0.297 4.616 4.320 -0.000 0.000 0.289 153 A C -0.642 176.985 177.584 0.071 0.000 1.043 153 A CA -0.720 51.404 52.037 0.144 0.000 0.722 153 A CB 1.113 20.193 19.000 0.133 0.000 1.243 153 A HN 0.718 nan 8.150 nan 0.000 0.415 154 D N 0.874 121.323 120.400 0.081 0.000 2.117 154 D HA -0.034 4.606 4.640 -0.000 0.000 0.197 154 D C 0.266 176.384 176.300 -0.302 0.000 0.987 154 D CA 1.781 55.728 54.000 -0.088 0.000 0.829 154 D CB 0.044 40.829 40.800 -0.025 0.000 0.961 154 D HN 0.700 nan 8.370 nan 0.000 0.460 155 H N -1.022 118.178 119.070 0.216 0.000 2.690 155 H HA 0.524 5.080 4.556 -0.000 0.000 0.368 155 H C -0.300 175.154 175.328 0.210 0.000 1.150 155 H CA -0.648 55.545 56.048 0.241 0.000 1.174 155 H CB 2.182 32.195 29.762 0.418 0.000 1.684 155 H HN -0.141 nan 8.280 nan 0.000 0.538 156 I N 3.091 123.793 120.570 0.220 0.000 2.466 156 I HA 0.089 4.258 4.170 -0.000 0.000 0.289 156 I C -0.905 175.328 176.117 0.195 0.000 1.026 156 I CA -0.796 60.595 61.300 0.150 0.000 1.078 156 I CB 2.315 40.337 38.000 0.036 0.000 1.249 156 I HN 0.143 nan 8.210 nan 0.000 0.429 157 L N 7.992 129.350 121.223 0.225 0.000 2.280 157 L HA 0.529 4.869 4.340 -0.000 0.000 0.287 157 L C -0.995 175.958 176.870 0.138 0.000 1.023 157 L CA -0.179 54.803 54.840 0.236 0.000 0.819 157 L CB 1.034 43.241 42.059 0.247 0.000 1.212 157 L HN 0.430 nan 8.230 nan 0.000 0.420 158 L N 6.266 127.561 121.223 0.121 0.000 2.260 158 L HA 0.676 5.015 4.340 -0.000 0.000 0.289 158 L C 0.452 177.375 176.870 0.088 0.000 1.057 158 L CA -0.206 54.682 54.840 0.082 0.000 0.811 158 L CB 1.170 43.267 42.059 0.063 0.000 1.184 158 L HN 0.851 nan 8.230 nan 0.000 0.429 159 A N 1.067 123.931 122.820 0.073 0.000 3.106 159 A HA 0.241 4.561 4.320 -0.000 0.000 0.227 159 A C 0.811 178.428 177.584 0.056 0.000 0.920 159 A CA -0.149 51.932 52.037 0.073 0.000 1.088 159 A CB -0.087 18.964 19.000 0.085 0.000 1.233 159 A HN 0.704 nan 8.150 nan 0.000 0.503 160 T N -3.290 111.294 114.554 0.050 0.000 3.107 160 T HA 0.468 4.818 4.350 -0.000 0.000 0.249 160 T C 1.303 176.044 174.700 0.069 0.000 1.096 160 T CA 1.060 63.183 62.100 0.038 0.000 1.012 160 T CB 0.031 68.915 68.868 0.027 0.000 0.977 160 T HN 2.113 nan 8.240 nan 0.000 0.527 161 G N 1.573 110.422 108.800 0.082 0.000 2.568 161 G HA2 0.017 3.977 3.960 -0.000 0.000 0.222 161 G HA3 0.017 3.977 3.960 -0.000 0.000 0.222 161 G C -0.151 174.830 174.900 0.135 0.000 1.321 161 G CA -0.205 44.959 45.100 0.106 0.000 0.893 161 G HN 1.393 nan 8.290 nan 0.000 0.569 162 S N -1.405 114.401 115.700 0.176 0.000 2.810 162 S HA 0.865 5.335 4.470 -0.000 0.000 0.315 162 S C -0.824 174.002 174.600 0.376 0.000 1.138 162 S CA 0.111 58.441 58.200 0.217 0.000 0.889 162 S CB 2.681 65.967 63.200 0.143 0.000 1.236 162 S HN 1.823 nan 8.310 nan 0.000 0.548 163 W N 0.631 121.970 121.300 0.067 0.000 3.363 163 W HA 0.410 5.070 4.660 -0.001 0.000 0.306 163 W C -3.438 173.117 176.519 0.062 0.000 1.253 163 W CA -2.050 55.340 57.345 0.075 0.000 1.195 163 W CB 1.752 31.263 29.460 0.085 0.000 1.366 163 W HN 0.496 nan 8.180 nan 0.000 0.551 164 P HA 0.025 nan 4.420 nan 0.000 0.271 164 P C -0.890 176.378 177.300 -0.053 0.000 1.216 164 P CA 0.385 63.342 63.100 -0.238 0.000 0.776 164 P CB 0.725 32.196 31.700 -0.381 0.000 0.881 165 Q N 2.538 122.346 119.800 0.012 0.000 2.267 165 Q HA 0.391 4.730 4.340 -0.000 0.000 0.255 165 Q C -0.963 175.056 176.000 0.030 0.000 0.923 165 Q CA -0.278 55.559 55.803 0.056 0.000 0.925 165 Q CB 0.432 29.207 28.738 0.062 0.000 1.195 165 Q HN 0.323 nan 8.270 nan 0.000 0.417 166 M N 5.679 125.305 119.600 0.045 0.000 2.253 166 M HA 0.422 4.902 4.480 -0.000 0.000 0.314 166 M C -2.294 174.023 176.300 0.028 0.000 1.019 166 M CA -2.339 52.976 55.300 0.026 0.000 0.932 166 M CB 1.180 33.797 32.600 0.028 0.000 1.606 166 M HN 0.582 nan 8.290 nan 0.000 0.430 167 P HA 0.306 nan 4.420 nan 0.000 0.274 167 P C -0.721 176.584 177.300 0.009 0.000 1.231 167 P CA -0.428 62.682 63.100 0.017 0.000 0.790 167 P CB 0.688 32.395 31.700 0.011 0.000 0.951 168 A N 4.050 126.876 122.820 0.010 0.000 3.004 168 A HA 0.430 4.750 4.320 -0.000 0.000 0.286 168 A C 0.749 178.332 177.584 -0.003 0.000 1.632 168 A CA -0.626 51.414 52.037 0.004 0.000 1.339 168 A CB -1.452 17.553 19.000 0.009 0.000 1.136 168 A HN 0.575 nan 8.150 nan 0.000 0.577 169 I N -1.664 118.899 120.570 -0.011 0.000 2.693 169 I HA 0.649 4.819 4.170 -0.000 0.000 0.303 169 I C -2.805 173.300 176.117 -0.020 0.000 1.025 169 I CA -3.170 58.120 61.300 -0.017 0.000 1.086 169 I CB 1.853 39.837 38.000 -0.027 0.000 1.268 169 I HN 0.054 nan 8.210 nan 0.000 0.440 170 P HA 0.142 nan 4.420 nan 0.000 0.261 170 P C 0.682 177.979 177.300 -0.003 0.000 1.183 170 P CA 0.923 64.019 63.100 -0.007 0.000 0.761 170 P CB 0.478 32.180 31.700 0.003 0.000 0.785 171 G N 3.168 111.954 108.800 -0.023 0.000 2.141 171 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.242 171 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.242 171 G C 0.762 175.597 174.900 -0.109 0.000 0.982 171 G CA 0.092 45.175 45.100 -0.027 0.000 0.662 171 G HN 0.542 nan 8.290 nan 0.000 0.527 172 I N 1.763 122.273 120.570 -0.099 0.000 2.335 172 I HA -0.110 4.059 4.170 -0.000 0.000 0.251 172 I C 2.597 178.643 176.117 -0.118 0.000 1.129 172 I CA 2.431 63.684 61.300 -0.078 0.000 1.402 172 I CB -0.070 37.904 38.000 -0.043 0.000 1.069 172 I HN 0.503 nan 8.210 nan 0.000 0.424 173 E N -0.316 119.754 120.200 -0.218 0.000 2.401 173 E HA -0.258 4.091 4.350 -0.000 0.000 0.199 173 E C 1.065 177.504 176.600 -0.268 0.000 1.023 173 E CA 1.323 57.582 56.400 -0.235 0.000 0.859 173 E CB -0.859 28.680 29.700 -0.268 0.000 0.780 173 E HN 0.645 nan 8.360 nan 0.000 0.523 174 H N -0.274 118.792 119.070 -0.007 0.000 2.539 174 H HA 0.216 4.772 4.556 -0.000 0.000 0.269 174 H C 0.387 175.700 175.328 -0.025 0.000 0.980 174 H CA -0.114 55.926 56.048 -0.013 0.000 1.152 174 H CB -0.143 29.608 29.762 -0.018 0.000 1.407 174 H HN 0.118 nan 8.280 nan 0.000 0.564 175 C N 2.018 121.332 119.300 0.024 0.000 2.358 175 C HA 0.582 5.042 4.460 -0.000 0.000 0.354 175 C C 1.131 176.111 174.990 -0.016 0.000 1.183 175 C CA -0.797 58.219 59.018 -0.004 0.000 2.150 175 C CB 1.205 28.932 27.740 -0.022 0.000 2.361 175 C HN 0.437 nan 8.230 nan 0.000 0.535 176 I N 0.254 120.801 120.570 -0.037 0.000 3.170 176 I HA 0.856 5.026 4.170 -0.000 0.000 0.312 176 I C -0.011 176.046 176.117 -0.101 0.000 1.085 176 I CA -0.233 61.033 61.300 -0.057 0.000 0.999 176 I CB 1.931 39.903 38.000 -0.048 0.000 1.233 176 I HN 0.663 nan 8.210 nan 0.000 0.467 177 S N 0.228 115.834 115.700 -0.156 0.000 2.766 177 S HA 0.339 4.808 4.470 -0.000 0.000 0.307 177 S C 1.008 175.422 174.600 -0.310 0.000 1.121 177 S CA 0.016 58.083 58.200 -0.222 0.000 0.980 177 S CB 1.217 64.252 63.200 -0.274 0.000 1.159 177 S HN 0.894 nan 8.310 nan 0.000 0.546 178 S N 1.287 116.762 115.700 -0.374 0.000 2.407 178 S HA -0.230 4.240 4.470 -0.000 0.000 0.235 178 S C 1.439 175.862 174.600 -0.294 0.000 1.036 178 S CA 1.510 59.379 58.200 -0.552 0.000 1.013 178 S CB -1.077 61.942 63.200 -0.302 0.000 0.820 178 S HN 0.697 nan 8.310 nan 0.000 0.476 179 N N 2.100 120.646 118.700 -0.256 0.000 2.058 179 N HA -0.075 4.664 4.740 -0.000 0.000 0.191 179 N C 1.684 177.128 175.510 -0.110 0.000 1.037 179 N CA 1.799 54.667 53.050 -0.302 0.000 0.848 179 N CB -0.578 37.259 38.487 -1.084 0.000 1.021 179 N HN 0.547 nan 8.380 nan 0.000 0.422 180 E N 0.668 120.770 120.200 -0.164 0.000 2.208 180 E HA 0.083 4.433 4.350 -0.000 0.000 0.193 180 E C 1.838 178.554 176.600 0.195 0.000 0.988 180 E CA 0.709 57.177 56.400 0.113 0.000 0.828 180 E CB -0.269 29.466 29.700 0.059 0.000 0.763 180 E HN 0.353 nan 8.360 nan 0.000 0.478 181 A N 0.216 123.023 122.820 -0.021 0.000 1.933 181 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 181 A C 1.671 179.320 177.584 0.108 0.000 1.175 181 A CA 0.986 52.999 52.037 -0.040 0.000 0.628 181 A CB -0.773 17.878 19.000 -0.581 0.000 0.814 181 A HN 0.243 nan 8.150 nan 0.000 0.444 182 F N -1.878 118.156 119.950 0.140 0.000 2.373 182 F HA -0.123 4.404 4.527 -0.001 0.000 0.300 182 F C 1.231 176.805 175.800 -0.377 0.000 1.080 182 F CA 1.098 59.048 58.000 -0.083 0.000 1.417 182 F CB -0.428 38.440 39.000 -0.221 0.000 1.070 182 F HN 0.343 nan 8.300 nan 0.000 0.546 183 Y N -0.943 119.591 120.300 0.389 0.000 2.612 183 Y HA 0.324 4.874 4.550 -0.000 0.000 0.250 183 Y C 0.428 176.519 175.900 0.319 0.000 1.175 183 Y CA -0.835 57.453 58.100 0.313 0.000 1.205 183 Y CB -0.229 38.422 38.460 0.318 0.000 1.201 183 Y HN -0.245 nan 8.280 nan 0.000 0.532 184 L N 3.875 125.393 121.223 0.492 0.000 2.559 184 L HA -0.015 4.324 4.340 -0.000 0.000 0.274 184 L C -1.072 176.114 176.870 0.526 0.000 1.205 184 L CA -0.997 54.122 54.840 0.465 0.000 0.907 184 L CB 0.599 42.909 42.059 0.419 0.000 1.153 184 L HN 0.038 nan 8.230 nan 0.000 0.490 185 P HA -0.096 nan 4.420 nan 0.000 0.222 185 P C -0.072 177.439 177.300 0.352 0.000 1.147 185 P CA 1.238 64.515 63.100 0.295 0.000 0.790 185 P CB 0.405 32.217 31.700 0.186 0.000 0.780 186 E N -0.708 119.659 120.200 0.278 0.000 2.366 186 E HA 0.318 4.667 4.350 -0.000 0.000 0.278 186 E C -2.822 173.579 176.600 -0.331 0.000 0.923 186 E CA -2.466 53.992 56.400 0.096 0.000 0.761 186 E CB 2.678 32.402 29.700 0.039 0.000 1.231 186 E HN -0.032 nan 8.360 nan 0.000 0.443 187 P HA 0.198 nan 4.420 nan 0.000 0.280 187 P C -2.626 174.395 177.300 -0.464 0.000 1.244 187 P CA -1.520 60.979 63.100 -1.002 0.000 0.784 187 P CB 0.267 31.477 31.700 -0.818 0.000 0.913 188 P HA 0.184 nan 4.420 nan 0.000 0.276 188 P C 0.929 178.081 177.300 -0.248 0.000 1.230 188 P CA -0.201 62.690 63.100 -0.349 0.000 0.776 188 P CB 1.147 32.557 31.700 -0.483 0.000 0.888 189 R N 3.388 123.792 120.500 -0.161 0.000 2.066 189 R HA -0.056 4.284 4.340 -0.000 0.000 0.232 189 R C 0.269 176.506 176.300 -0.105 0.000 1.131 189 R CA 1.148 57.186 56.100 -0.103 0.000 0.955 189 R CB 0.192 30.450 30.300 -0.069 0.000 0.851 189 R HN 0.475 nan 8.270 nan 0.000 0.432 190 R N 0.003 120.430 120.500 -0.122 0.000 2.534 190 R HA 0.432 4.772 4.340 -0.000 0.000 0.301 190 R C -1.605 174.598 176.300 -0.161 0.000 0.961 190 R CA -0.540 55.496 56.100 -0.107 0.000 0.871 190 R CB 2.787 33.048 30.300 -0.064 0.000 1.170 190 R HN 0.034 nan 8.270 nan 0.000 0.446 191 V N 4.557 124.371 119.914 -0.168 0.000 2.808 191 V HA 0.469 4.589 4.120 -0.000 0.000 0.308 191 V C -1.737 174.293 176.094 -0.107 0.000 1.099 191 V CA -0.979 61.181 62.300 -0.233 0.000 0.920 191 V CB 2.044 33.553 31.823 -0.524 0.000 1.014 191 V HN 0.620 nan 8.190 nan 0.000 0.425 192 L N 6.587 127.768 121.223 -0.070 0.000 2.264 192 L HA 0.751 5.091 4.340 -0.000 0.000 0.289 192 L C 0.388 177.271 176.870 0.021 0.000 1.044 192 L CA 0.470 55.316 54.840 0.009 0.000 0.807 192 L CB 1.668 43.748 42.059 0.034 0.000 1.192 192 L HN 0.925 nan 8.230 nan 0.000 0.425 193 T N 2.504 117.104 114.554 0.076 0.000 2.744 193 T HA 0.562 4.912 4.350 -0.000 0.000 0.291 193 T C -0.229 174.533 174.700 0.103 0.000 0.957 193 T CA -0.726 61.436 62.100 0.103 0.000 1.002 193 T CB 0.849 69.819 68.868 0.168 0.000 0.919 193 T HN 0.309 nan 8.240 nan 0.000 0.468 194 V N 3.808 123.775 119.914 0.088 0.000 2.348 194 V HA 0.786 4.906 4.120 -0.000 0.000 0.270 194 V C 0.941 177.106 176.094 0.118 0.000 1.037 194 V CA 0.320 62.683 62.300 0.105 0.000 0.872 194 V CB 0.020 31.884 31.823 0.068 0.000 1.002 194 V HN 1.483 nan 8.190 nan 0.000 0.464 195 G N 3.559 112.459 108.800 0.166 0.000 2.335 195 G HA2 0.362 4.321 3.960 -0.000 0.000 0.592 195 G HA3 0.362 4.321 3.960 -0.000 0.000 0.592 195 G C -0.015 174.983 174.900 0.165 0.000 1.442 195 G CA -0.362 44.858 45.100 0.201 0.000 0.976 195 G HN 1.032 nan 8.290 nan 0.000 0.652 196 G N -0.544 108.309 108.800 0.088 0.000 3.899 196 G HA2 0.683 4.643 3.960 -0.000 0.000 0.293 196 G HA3 0.683 4.643 3.960 -0.000 0.000 0.293 196 G C 0.630 175.382 174.900 -0.246 0.000 1.054 196 G CA 1.054 45.982 45.100 -0.288 0.000 0.846 196 G HN 1.369 nan 8.290 nan 0.000 0.525 197 G N -0.498 108.273 108.800 -0.049 0.000 3.119 197 G HA2 0.480 4.439 3.960 -0.000 0.000 0.206 197 G HA3 0.480 4.439 3.960 -0.000 0.000 0.206 197 G C 0.587 175.511 174.900 0.039 0.000 1.313 197 G CA -0.806 44.302 45.100 0.013 0.000 1.010 197 G HN -0.010 nan 8.290 nan 0.000 0.578 198 F N -0.365 119.595 119.950 0.017 0.000 2.065 198 F HA -0.099 4.428 4.527 -0.001 0.000 0.298 198 F C 2.608 178.441 175.800 0.054 0.000 1.112 198 F CA 1.597 59.611 58.000 0.024 0.000 1.212 198 F CB -0.169 38.891 39.000 0.099 0.000 0.975 198 F HN 0.102 nan 8.300 nan 0.000 0.476 199 I N -1.652 119.114 120.570 0.326 0.000 2.406 199 I HA -0.225 3.945 4.170 -0.000 0.000 0.249 199 I C 2.563 178.841 176.117 0.268 0.000 1.122 199 I CA 0.907 62.387 61.300 0.301 0.000 1.431 199 I CB -0.482 37.662 38.000 0.241 0.000 1.087 199 I HN 0.071 nan 8.210 nan 0.000 0.424 200 S N 0.524 116.331 115.700 0.177 0.000 2.359 200 S HA -0.150 4.319 4.470 -0.000 0.000 0.224 200 S C 2.075 176.746 174.600 0.120 0.000 1.035 200 S CA 1.513 59.800 58.200 0.145 0.000 1.018 200 S CB -0.150 63.109 63.200 0.099 0.000 0.876 200 S HN 0.218 nan 8.310 nan 0.000 0.448 201 V N 1.516 121.459 119.914 0.048 0.000 2.453 201 V HA -0.075 4.044 4.120 -0.000 0.000 0.247 201 V C 2.389 178.479 176.094 -0.007 0.000 1.048 201 V CA 1.759 64.049 62.300 -0.017 0.000 1.049 201 V CB -0.630 31.118 31.823 -0.125 0.000 0.672 201 V HN 0.502 nan 8.190 nan 0.000 0.457 202 E N -0.491 119.720 120.200 0.017 0.000 2.047 202 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 202 E C 2.110 178.611 176.600 -0.165 0.000 0.987 202 E CA 1.385 57.756 56.400 -0.048 0.000 0.799 202 E CB -0.203 29.494 29.700 -0.005 0.000 0.752 202 E HN 0.557 nan 8.360 nan 0.000 0.449 203 F N 0.988 120.879 119.950 -0.099 0.000 2.216 203 F HA -0.148 4.378 4.527 -0.000 0.000 0.300 203 F C 2.374 178.091 175.800 -0.139 0.000 1.085 203 F CA 1.038 58.886 58.000 -0.254 0.000 1.326 203 F CB -0.346 38.492 39.000 -0.271 0.000 1.027 203 F HN 0.009 nan 8.300 nan 0.000 0.497 204 A N 0.075 122.995 122.820 0.167 0.000 1.908 204 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 204 A C 2.559 180.209 177.584 0.109 0.000 1.181 204 A CA 1.836 53.986 52.037 0.188 0.000 0.627 204 A CB -1.583 17.487 19.000 0.118 0.000 0.818 204 A HN 0.403 nan 8.150 nan 0.000 0.445 205 G N -0.247 108.564 108.800 0.020 0.000 2.408 205 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.217 205 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.217 205 G C 1.513 176.424 174.900 0.018 0.000 1.150 205 G CA 1.044 46.146 45.100 0.004 0.000 0.776 205 G HN 0.483 nan 8.290 nan 0.000 0.542 206 I N -0.217 120.307 120.570 -0.076 0.000 2.163 206 I HA -0.072 4.098 4.170 -0.000 0.000 0.240 206 I C 2.363 178.574 176.117 0.157 0.000 1.081 206 I CA 0.801 62.075 61.300 -0.044 0.000 1.353 206 I CB -0.236 37.541 38.000 -0.372 0.000 1.054 206 I HN 0.036 nan 8.210 nan 0.000 0.407 207 F N 0.965 121.010 119.950 0.159 0.000 2.171 207 F HA -0.192 4.335 4.527 -0.001 0.000 0.300 207 F C 2.320 178.169 175.800 0.081 0.000 1.090 207 F CA 1.286 59.340 58.000 0.090 0.000 1.293 207 F CB -1.253 37.762 39.000 0.026 0.000 1.013 207 F HN 0.135 nan 8.300 nan 0.000 0.486 208 N N 0.459 119.310 118.700 0.251 0.000 2.205 208 N HA -0.161 4.579 4.740 -0.000 0.000 0.186 208 N C 1.749 177.325 175.510 0.109 0.000 1.015 208 N CA 1.335 54.467 53.050 0.137 0.000 0.862 208 N CB -0.235 38.303 38.487 0.084 0.000 0.986 208 N HN 0.197 nan 8.380 nan 0.000 0.429 209 A N -1.518 121.384 122.820 0.136 0.000 2.016 209 A HA 0.027 4.346 4.320 -0.000 0.000 0.217 209 A C 1.222 178.759 177.584 -0.079 0.000 1.162 209 A CA 0.738 52.781 52.037 0.011 0.000 0.662 209 A CB -0.454 18.527 19.000 -0.033 0.000 0.812 209 A HN 0.454 nan 8.150 nan 0.000 0.450 210 Y N 0.706 121.096 120.300 0.151 0.000 2.458 210 Y HA 0.143 4.693 4.550 -0.000 0.000 0.256 210 Y C 0.802 176.748 175.900 0.076 0.000 1.159 210 Y CA -0.260 57.944 58.100 0.174 0.000 1.261 210 Y CB 0.245 38.917 38.460 0.353 0.000 1.119 210 Y HN 0.289 nan 8.280 nan 0.000 0.524 211 K N 1.960 122.450 120.400 0.150 0.000 2.436 211 K HA 0.128 4.448 4.320 -0.000 0.000 0.275 211 K C -2.665 173.959 176.600 0.041 0.000 0.999 211 K CA -1.467 54.853 56.287 0.054 0.000 0.980 211 K CB -0.059 32.461 32.500 0.033 0.000 0.919 211 K HN -0.061 nan 8.250 nan 0.000 0.484 212 P HA 0.082 nan 4.420 nan 0.000 0.274 212 P C -2.028 175.280 177.300 0.013 0.000 1.260 212 P CA -1.425 61.687 63.100 0.020 0.000 0.793 212 P CB -0.255 31.449 31.700 0.007 0.000 1.048 213 P HA -0.160 nan 4.420 nan 0.000 0.218 213 P C 1.419 178.723 177.300 0.006 0.000 1.154 213 P CA 2.265 65.373 63.100 0.014 0.000 0.872 213 P CB -0.551 31.159 31.700 0.017 0.000 0.790 214 G N -1.324 107.476 108.800 0.000 0.000 3.124 214 G HA2 0.189 4.148 3.960 -0.000 0.000 0.212 214 G HA3 0.189 4.148 3.960 -0.000 0.000 0.212 214 G C 0.747 175.641 174.900 -0.009 0.000 1.181 214 G CA 0.181 45.278 45.100 -0.004 0.000 0.803 214 G HN 0.407 nan 8.290 nan 0.000 0.529 215 G N -0.327 108.467 108.800 -0.010 0.000 2.537 215 G HA2 0.496 4.456 3.960 -0.000 0.000 0.273 215 G HA3 0.496 4.456 3.960 -0.000 0.000 0.273 215 G C -0.702 174.189 174.900 -0.015 0.000 1.189 215 G CA -0.417 44.672 45.100 -0.018 0.000 0.881 215 G HN 0.214 nan 8.290 nan 0.000 0.535 216 K N -0.153 120.234 120.400 -0.023 0.000 2.535 216 K HA 0.497 4.817 4.320 -0.000 0.000 0.251 216 K C -1.214 175.376 176.600 -0.016 0.000 0.942 216 K CA -0.542 55.736 56.287 -0.015 0.000 0.798 216 K CB 2.120 34.611 32.500 -0.016 0.000 1.267 216 K HN 0.289 nan 8.250 nan 0.000 0.434 217 V N 3.649 123.566 119.914 0.005 0.000 2.398 217 V HA 0.523 4.643 4.120 -0.000 0.000 0.286 217 V C -0.536 175.571 176.094 0.021 0.000 1.026 217 V CA -0.534 61.779 62.300 0.021 0.000 0.868 217 V CB 1.784 33.653 31.823 0.076 0.000 0.982 217 V HN 0.864 nan 8.190 nan 0.000 0.443 218 T N 6.438 121.007 114.554 0.024 0.000 2.797 218 T HA 0.575 4.925 4.350 -0.000 0.000 0.279 218 T C -0.513 174.222 174.700 0.058 0.000 0.991 218 T CA -0.280 61.839 62.100 0.033 0.000 0.979 218 T CB 1.428 70.318 68.868 0.038 0.000 0.943 218 T HN 0.513 nan 8.240 nan 0.000 0.444 219 L N 4.179 125.435 121.223 0.054 0.000 2.317 219 L HA 0.746 5.086 4.340 -0.000 0.000 0.281 219 L C -0.303 176.616 176.870 0.083 0.000 1.024 219 L CA -0.658 54.227 54.840 0.075 0.000 0.810 219 L CB 0.421 42.514 42.059 0.056 0.000 1.240 219 L HN 0.950 nan 8.230 nan 0.000 0.427 220 C N 2.734 122.111 119.300 0.127 0.000 2.493 220 C HA 0.701 5.161 4.460 -0.000 0.000 0.326 220 C C -0.771 174.345 174.990 0.211 0.000 1.200 220 C CA -1.041 58.059 59.018 0.138 0.000 1.739 220 C CB 0.812 28.674 27.740 0.203 0.000 2.300 220 C HN 0.807 nan 8.230 nan 0.000 0.500 221 Y N 2.576 122.890 120.300 0.023 0.000 2.457 221 Y HA 0.539 5.089 4.550 -0.000 0.000 0.343 221 Y C 1.259 177.173 175.900 0.024 0.000 0.994 221 Y CA -1.159 56.957 58.100 0.026 0.000 1.031 221 Y CB 1.456 39.922 38.460 0.010 0.000 1.246 221 Y HN 0.917 nan 8.280 nan 0.000 0.449 222 R N 1.990 122.087 120.500 -0.672 0.000 2.237 222 R HA 0.071 4.411 4.340 -0.000 0.000 0.219 222 R C -0.672 175.261 176.300 -0.612 0.000 1.080 222 R CA 1.299 57.100 56.100 -0.498 0.000 0.995 222 R CB -0.219 29.908 30.300 -0.289 0.000 0.875 222 R HN 0.671 nan 8.270 nan 0.000 0.462 223 N N -0.652 117.359 118.700 -1.148 0.000 3.255 223 N HA 0.111 4.851 4.740 -0.000 0.000 0.359 223 N C -0.235 175.172 175.510 -0.171 0.000 1.463 223 N CA -0.762 51.983 53.050 -0.508 0.000 0.695 223 N CB 0.428 38.745 38.487 -0.283 0.000 1.581 223 N HN -0.038 nan 8.380 nan 0.000 0.622 224 N N -0.236 118.506 118.700 0.071 0.000 2.368 224 N HA 0.052 4.792 4.740 -0.000 0.000 0.176 224 N C -0.782 174.827 175.510 0.166 0.000 1.021 224 N CA 0.558 53.663 53.050 0.092 0.000 0.888 224 N CB 0.478 38.994 38.487 0.049 0.000 0.995 224 N HN 0.215 nan 8.380 nan 0.000 0.437 225 L N 1.914 123.294 121.223 0.262 0.000 2.528 225 L HA 0.415 4.754 4.340 -0.000 0.000 0.267 225 L C -0.242 176.625 176.870 -0.005 0.000 0.961 225 L CA -0.775 54.138 54.840 0.121 0.000 0.866 225 L CB 1.336 43.429 42.059 0.057 0.000 1.248 225 L HN 0.049 nan 8.230 nan 0.000 0.404 226 I N 2.317 122.767 120.570 -0.199 0.000 3.292 226 I HA 0.197 4.367 4.170 -0.000 0.000 0.279 226 I C 0.404 176.291 176.117 -0.383 0.000 1.268 226 I CA -0.428 60.538 61.300 -0.556 0.000 1.342 226 I CB 0.153 37.918 38.000 -0.392 0.000 1.366 226 I HN 0.796 nan 8.210 nan 0.000 0.615 227 L N 0.337 121.311 121.223 -0.415 0.000 3.608 227 L HA -0.179 4.160 4.340 -0.000 0.000 0.422 227 L C 0.708 177.591 176.870 0.022 0.000 1.260 227 L CA 0.323 55.022 54.840 -0.235 0.000 0.889 227 L CB -1.376 40.424 42.059 -0.430 0.000 1.821 227 L HN 0.761 nan 8.230 nan 0.000 0.884 228 R N 0.750 121.245 120.500 -0.009 0.000 2.523 228 R HA 0.201 4.541 4.340 -0.000 0.000 0.281 228 R C 1.440 177.819 176.300 0.131 0.000 0.969 228 R CA 1.568 57.713 56.100 0.075 0.000 1.093 228 R CB 0.185 30.545 30.300 0.100 0.000 0.917 228 R HN 0.514 nan 8.270 nan 0.000 0.408 229 G N 2.999 111.835 108.800 0.059 0.000 2.213 229 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.226 229 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.226 229 G C -0.126 174.632 174.900 -0.237 0.000 0.992 229 G CA -0.233 44.827 45.100 -0.065 0.000 0.632 229 G HN 0.505 nan 8.290 nan 0.000 0.511 230 F N 1.543 121.426 119.950 -0.112 0.000 2.380 230 F HA 0.497 5.023 4.527 -0.000 0.000 0.319 230 F C 0.920 176.602 175.800 -0.197 0.000 1.113 230 F CA -0.391 57.514 58.000 -0.159 0.000 1.056 230 F CB 0.584 39.473 39.000 -0.185 0.000 1.289 230 F HN 0.020 nan 8.300 nan 0.000 0.515 231 D N 1.632 121.963 120.400 -0.116 0.000 2.531 231 D HA -0.104 4.536 4.640 -0.000 0.000 0.239 231 D C 0.916 177.184 176.300 -0.054 0.000 1.144 231 D CA 0.304 54.187 54.000 -0.196 0.000 0.869 231 D CB 0.868 41.496 40.800 -0.287 0.000 1.160 231 D HN 0.803 nan 8.370 nan 0.000 0.484 232 E N 2.404 122.583 120.200 -0.035 0.000 2.058 232 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 232 E C 1.394 177.991 176.600 -0.005 0.000 0.997 232 E CA 1.802 58.199 56.400 -0.005 0.000 0.801 232 E CB 0.101 29.811 29.700 0.017 0.000 0.746 232 E HN 0.605 nan 8.360 nan 0.000 0.450 233 T N 1.406 115.967 114.554 0.011 0.000 2.665 233 T HA -0.201 4.148 4.350 -0.000 0.000 0.268 233 T C 1.913 176.598 174.700 -0.024 0.000 1.035 233 T CA 1.720 63.825 62.100 0.009 0.000 1.151 233 T CB -0.285 68.609 68.868 0.042 0.000 0.862 233 T HN 0.223 nan 8.240 nan 0.000 0.438 234 I N 0.611 121.160 120.570 -0.035 0.000 2.252 234 I HA -0.157 4.012 4.170 -0.000 0.000 0.245 234 I C 2.797 178.855 176.117 -0.099 0.000 1.102 234 I CA 1.231 62.487 61.300 -0.073 0.000 1.385 234 I CB -0.352 37.612 38.000 -0.060 0.000 1.064 234 I HN 0.161 nan 8.210 nan 0.000 0.414 235 R N 0.854 121.307 120.500 -0.079 0.000 2.091 235 R HA -0.197 4.143 4.340 -0.000 0.000 0.238 235 R C 2.116 178.361 176.300 -0.092 0.000 1.136 235 R CA 1.652 57.690 56.100 -0.103 0.000 0.959 235 R CB -0.305 29.955 30.300 -0.066 0.000 0.856 235 R HN 0.496 nan 8.270 nan 0.000 0.437 236 E N 0.001 120.165 120.200 -0.061 0.000 2.112 236 E HA -0.175 4.175 4.350 -0.000 0.000 0.190 236 E C 1.854 178.419 176.600 -0.058 0.000 0.979 236 E CA 0.795 57.165 56.400 -0.050 0.000 0.814 236 E CB 0.052 29.733 29.700 -0.031 0.000 0.762 236 E HN 0.198 nan 8.360 nan 0.000 0.460 237 E N 1.055 121.216 120.200 -0.064 0.000 2.107 237 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 237 E C 1.928 178.479 176.600 -0.082 0.000 0.982 237 E CA 0.500 56.861 56.400 -0.065 0.000 0.809 237 E CB -0.080 29.578 29.700 -0.069 0.000 0.756 237 E HN 0.079 nan 8.360 nan 0.000 0.459 238 V N -0.150 119.696 119.914 -0.113 0.000 2.453 238 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 238 V C 1.871 177.898 176.094 -0.111 0.000 1.048 238 V CA 2.253 64.476 62.300 -0.129 0.000 1.049 238 V CB -0.573 31.137 31.823 -0.188 0.000 0.672 238 V HN 0.391 nan 8.190 nan 0.000 0.457 239 T N 0.052 114.543 114.554 -0.106 0.000 2.635 239 T HA -0.296 4.053 4.350 -0.000 0.000 0.267 239 T C 1.871 176.524 174.700 -0.078 0.000 1.040 239 T CA 2.259 64.307 62.100 -0.087 0.000 1.156 239 T CB -0.280 68.545 68.868 -0.072 0.000 0.863 239 T HN 0.475 nan 8.240 nan 0.000 0.430 240 K N 0.646 121.005 120.400 -0.068 0.000 2.032 240 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 240 K C 2.659 179.208 176.600 -0.086 0.000 1.048 240 K CA 1.461 57.708 56.287 -0.066 0.000 0.927 240 K CB -0.126 32.349 32.500 -0.041 0.000 0.712 240 K HN 0.446 nan 8.250 nan 0.000 0.441 241 Q N 0.191 119.956 119.800 -0.058 0.000 2.230 241 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 241 Q C 2.097 178.037 176.000 -0.100 0.000 0.963 241 Q CA 0.733 56.519 55.803 -0.028 0.000 0.866 241 Q CB 0.115 28.893 28.738 0.067 0.000 0.931 241 Q HN 0.301 nan 8.270 nan 0.000 0.452 242 L N -0.198 120.969 121.223 -0.094 0.000 2.072 242 L HA -0.125 4.214 4.340 -0.000 0.000 0.205 242 L C 2.348 179.147 176.870 -0.119 0.000 1.079 242 L CA 1.097 55.882 54.840 -0.092 0.000 0.752 242 L CB -0.509 41.504 42.059 -0.077 0.000 0.906 242 L HN 0.188 nan 8.230 nan 0.000 0.436 243 T N 0.185 114.666 114.554 -0.122 0.000 2.665 243 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 243 T C 1.964 176.544 174.700 -0.201 0.000 1.035 243 T CA 1.498 63.521 62.100 -0.128 0.000 1.151 243 T CB -0.320 68.487 68.868 -0.102 0.000 0.862 243 T HN 0.447 nan 8.240 nan 0.000 0.438 244 A N 1.597 124.229 122.820 -0.314 0.000 2.019 244 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 244 A C 2.003 179.244 177.584 -0.572 0.000 1.164 244 A CA 1.405 53.105 52.037 -0.562 0.000 0.644 244 A CB -0.544 17.830 19.000 -1.043 0.000 0.805 244 A HN 0.413 nan 8.150 nan 0.000 0.449 245 N N -0.823 117.646 118.700 -0.385 0.000 2.313 245 N HA 0.235 4.975 4.740 -0.000 0.000 0.207 245 N C 0.873 176.314 175.510 -0.115 0.000 1.141 245 N CA 0.906 53.832 53.050 -0.206 0.000 0.830 245 N CB -0.063 38.373 38.487 -0.083 0.000 1.008 245 N HN 0.539 nan 8.380 nan 0.000 0.481 246 G N 0.075 108.799 108.800 -0.126 0.000 2.141 246 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.242 246 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.242 246 G C -0.001 174.871 174.900 -0.048 0.000 0.982 246 G CA -0.015 45.040 45.100 -0.075 0.000 0.662 246 G HN 0.328 nan 8.290 nan 0.000 0.527 247 I N 1.153 121.692 120.570 -0.050 0.000 2.352 247 I HA 0.354 4.524 4.170 -0.000 0.000 0.290 247 I C 0.589 176.685 176.117 -0.034 0.000 1.036 247 I CA -0.680 60.605 61.300 -0.025 0.000 1.336 247 I CB 1.308 39.299 38.000 -0.014 0.000 1.407 247 I HN 0.197 nan 8.210 nan 0.000 0.497 248 E N 7.608 127.793 120.200 -0.024 0.000 2.257 248 E HA 0.284 4.634 4.350 -0.000 0.000 0.278 248 E C -0.964 175.622 176.600 -0.023 0.000 1.049 248 E CA 0.068 56.450 56.400 -0.030 0.000 0.876 248 E CB 0.544 30.227 29.700 -0.028 0.000 1.035 248 E HN 0.404 nan 8.360 nan 0.000 0.419 249 I N 5.996 126.548 120.570 -0.030 0.000 2.328 249 I HA 0.216 4.386 4.170 -0.000 0.000 0.287 249 I C -0.119 175.980 176.117 -0.028 0.000 1.012 249 I CA -0.394 60.895 61.300 -0.018 0.000 1.195 249 I CB 0.910 38.897 38.000 -0.021 0.000 1.350 249 I HN 0.444 nan 8.210 nan 0.000 0.464 250 M N 6.527 126.106 119.600 -0.035 0.000 2.063 250 M HA 0.288 4.768 4.480 -0.000 0.000 0.348 250 M C 0.090 176.368 176.300 -0.038 0.000 1.180 250 M CA -0.428 54.821 55.300 -0.085 0.000 1.059 250 M CB 0.932 33.423 32.600 -0.182 0.000 1.544 250 M HN 0.541 nan 8.290 nan 0.000 0.447 251 T N -0.876 113.660 114.554 -0.029 0.000 2.943 251 T HA 0.391 4.740 4.350 -0.000 0.000 0.284 251 T C 0.635 175.298 174.700 -0.061 0.000 1.015 251 T CA -0.838 61.270 62.100 0.013 0.000 1.042 251 T CB 1.027 69.925 68.868 0.049 0.000 1.055 251 T HN 0.754 nan 8.240 nan 0.000 0.500 252 N N 0.861 119.501 118.700 -0.100 0.000 2.735 252 N HA -0.138 4.602 4.740 -0.000 0.000 0.248 252 N C -0.771 174.672 175.510 -0.112 0.000 1.083 252 N CA 0.931 53.906 53.050 -0.124 0.000 0.703 252 N CB -0.726 37.711 38.487 -0.083 0.000 1.005 252 N HN 0.752 nan 8.380 nan 0.000 0.550 253 E N 0.432 120.567 120.200 -0.108 0.000 2.317 253 E HA 0.554 4.904 4.350 -0.000 0.000 0.270 253 E C -0.629 176.016 176.600 0.076 0.000 0.885 253 E CA -0.614 55.740 56.400 -0.076 0.000 0.760 253 E CB 2.323 31.847 29.700 -0.293 0.000 1.227 253 E HN 0.247 nan 8.360 nan 0.000 0.434 254 N N 1.583 120.435 118.700 0.252 0.000 2.493 254 N HA 0.309 5.049 4.740 -0.000 0.000 0.279 254 N C -3.078 172.558 175.510 0.210 0.000 1.082 254 N CA -1.361 51.823 53.050 0.223 0.000 0.963 254 N CB 1.974 40.501 38.487 0.067 0.000 1.627 254 N HN 0.002 nan 8.380 nan 0.000 0.499 255 P HA 0.141 nan 4.420 nan 0.000 0.266 255 P C -0.532 176.701 177.300 -0.112 0.000 1.195 255 P CA 0.127 63.089 63.100 -0.231 0.000 0.768 255 P CB 0.998 32.559 31.700 -0.232 0.000 0.838 256 A N 3.855 126.593 122.820 -0.137 0.000 2.070 256 A HA 0.175 4.495 4.320 -0.000 0.000 0.202 256 A C 0.368 177.911 177.584 -0.069 0.000 1.277 256 A CA 0.880 52.878 52.037 -0.064 0.000 0.872 256 A CB -0.041 18.942 19.000 -0.029 0.000 0.933 256 A HN 0.579 nan 8.150 nan 0.000 0.475 257 K N -1.416 118.918 120.400 -0.110 0.000 2.568 257 K HA 0.667 4.987 4.320 -0.000 0.000 0.273 257 K C -1.825 174.717 176.600 -0.097 0.000 0.951 257 K CA -0.732 55.512 56.287 -0.072 0.000 0.854 257 K CB 1.915 34.397 32.500 -0.030 0.000 1.424 257 K HN -0.093 nan 8.250 nan 0.000 0.427 258 V N 1.453 121.352 119.914 -0.026 0.000 2.588 258 V HA 0.538 4.658 4.120 -0.000 0.000 0.304 258 V C -0.453 175.698 176.094 0.096 0.000 1.042 258 V CA -0.494 61.806 62.300 -0.000 0.000 0.877 258 V CB 1.513 33.353 31.823 0.028 0.000 0.996 258 V HN 1.027 nan 8.190 nan 0.000 0.425 259 S N 4.853 120.580 115.700 0.045 0.000 2.751 259 S HA 0.834 5.304 4.470 -0.000 0.000 0.310 259 S C -0.909 173.600 174.600 -0.153 0.000 1.128 259 S CA -0.938 57.259 58.200 -0.005 0.000 0.931 259 S CB 1.736 64.959 63.200 0.039 0.000 1.177 259 S HN 0.471 nan 8.310 nan 0.000 0.530 260 L N 2.088 123.162 121.223 -0.247 0.000 2.296 260 L HA 0.474 4.814 4.340 -0.000 0.000 0.286 260 L C -0.127 176.670 176.870 -0.122 0.000 1.023 260 L CA -0.963 53.733 54.840 -0.239 0.000 0.812 260 L CB 1.141 43.011 42.059 -0.316 0.000 1.223 260 L HN 0.647 nan 8.230 nan 0.000 0.421 261 N N 0.650 119.297 118.700 -0.089 0.000 2.326 261 N HA 0.014 4.754 4.740 -0.000 0.000 0.239 261 N C 1.322 176.786 175.510 -0.077 0.000 1.301 261 N CA 0.291 53.288 53.050 -0.088 0.000 0.909 261 N CB 0.806 39.251 38.487 -0.069 0.000 1.156 261 N HN 0.679 nan 8.380 nan 0.000 0.462 262 T N -2.170 112.342 114.554 -0.069 0.000 2.759 262 T HA -0.218 4.132 4.350 -0.000 0.000 0.269 262 T C 0.897 175.572 174.700 -0.042 0.000 1.042 262 T CA 1.504 63.574 62.100 -0.052 0.000 1.140 262 T CB -0.301 68.540 68.868 -0.045 0.000 0.864 262 T HN 0.631 nan 8.240 nan 0.000 0.455 263 D N 1.226 121.601 120.400 -0.041 0.000 2.352 263 D HA 0.221 4.861 4.640 -0.000 0.000 0.232 263 D C 1.652 177.931 176.300 -0.035 0.000 1.055 263 D CA 0.595 54.575 54.000 -0.032 0.000 0.891 263 D CB -0.887 39.897 40.800 -0.028 0.000 0.897 263 D HN 0.666 nan 8.370 nan 0.000 0.529 264 G N 0.021 108.793 108.800 -0.048 0.000 2.179 264 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 264 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 264 G C 0.493 175.356 174.900 -0.060 0.000 0.977 264 G CA 0.522 45.589 45.100 -0.055 0.000 0.641 264 G HN 0.847 nan 8.290 nan 0.000 0.533 265 S N -0.566 115.104 115.700 -0.051 0.000 2.596 265 S HA 0.624 5.094 4.470 -0.000 0.000 0.260 265 S C 0.079 174.646 174.600 -0.054 0.000 1.336 265 S CA 0.107 58.279 58.200 -0.046 0.000 0.993 265 S CB 1.403 64.585 63.200 -0.029 0.000 0.923 265 S HN 0.344 nan 8.310 nan 0.000 0.567 266 K N 1.092 121.464 120.400 -0.046 0.000 2.211 266 K HA 0.324 4.643 4.320 -0.000 0.000 0.275 266 K C -0.807 175.794 176.600 0.001 0.000 1.024 266 K CA -0.216 56.042 56.287 -0.048 0.000 0.887 266 K CB 0.631 33.099 32.500 -0.053 0.000 1.084 266 K HN 0.712 nan 8.250 nan 0.000 0.463 267 H N 2.274 121.289 119.070 -0.092 0.000 2.641 267 H HA 0.339 4.894 4.556 -0.000 0.000 0.295 267 H C -1.012 174.259 175.328 -0.095 0.000 1.070 267 H CA -0.570 55.434 56.048 -0.074 0.000 1.257 267 H CB 0.307 30.031 29.762 -0.063 0.000 1.393 267 H HN 0.248 nan 8.280 nan 0.000 0.464 268 V N 5.529 125.196 119.914 -0.412 0.000 2.439 268 V HA 0.288 4.408 4.120 -0.000 0.000 0.282 268 V C 0.180 175.926 176.094 -0.580 0.000 1.039 268 V CA -0.487 61.537 62.300 -0.460 0.000 0.913 268 V CB 1.623 33.138 31.823 -0.513 0.000 0.983 268 V HN 0.859 nan 8.190 nan 0.000 0.460 269 T N 5.500 119.778 114.554 -0.460 0.000 2.779 269 T HA 0.620 4.970 4.350 -0.000 0.000 0.280 269 T C -0.462 174.033 174.700 -0.340 0.000 0.987 269 T CA -0.155 61.763 62.100 -0.304 0.000 0.966 269 T CB 0.710 69.505 68.868 -0.121 0.000 0.933 269 T HN 0.254 nan 8.240 nan 0.000 0.442 270 F N 1.088 120.998 119.950 -0.067 0.000 2.370 270 F HA 0.297 4.823 4.527 -0.001 0.000 0.319 270 F C 1.981 177.759 175.800 -0.035 0.000 1.129 270 F CA -0.767 57.204 58.000 -0.048 0.000 1.109 270 F CB 0.604 39.575 39.000 -0.048 0.000 1.262 270 F HN 0.649 nan 8.300 nan 0.000 0.534 271 E N 0.087 120.382 120.200 0.157 0.000 2.219 271 E HA -0.202 4.148 4.350 -0.000 0.000 0.198 271 E C 1.847 178.491 176.600 0.074 0.000 0.998 271 E CA 1.613 58.061 56.400 0.081 0.000 0.818 271 E CB -0.140 29.593 29.700 0.055 0.000 0.741 271 E HN 0.603 nan 8.360 nan 0.000 0.477 272 S N -1.142 114.617 115.700 0.097 0.000 2.562 272 S HA 0.153 4.623 4.470 -0.000 0.000 0.221 272 S C 1.635 176.267 174.600 0.053 0.000 0.975 272 S CA 0.320 58.550 58.200 0.049 0.000 0.918 272 S CB 0.534 63.740 63.200 0.011 0.000 0.772 272 S HN 0.384 nan 8.310 nan 0.000 0.531 273 G N 0.950 109.801 108.800 0.085 0.000 2.179 273 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.260 273 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.260 273 G C 0.063 175.017 174.900 0.090 0.000 0.977 273 G CA 0.318 45.462 45.100 0.073 0.000 0.641 273 G HN 0.676 nan 8.290 nan 0.000 0.533 274 K N 1.315 121.786 120.400 0.117 0.000 2.380 274 K HA 0.489 4.809 4.320 -0.000 0.000 0.267 274 K C 0.887 177.650 176.600 0.272 0.000 0.990 274 K CA 0.898 57.257 56.287 0.120 0.000 0.946 274 K CB 0.283 32.762 32.500 -0.035 0.000 0.937 274 K HN 0.434 nan 8.250 nan 0.000 0.491 275 T N 0.670 115.335 114.554 0.185 0.000 2.906 275 T HA 0.659 5.009 4.350 -0.000 0.000 0.295 275 T C -1.302 173.478 174.700 0.134 0.000 1.061 275 T CA -1.055 61.098 62.100 0.088 0.000 1.000 275 T CB 1.412 70.276 68.868 -0.007 0.000 1.103 275 T HN 0.354 nan 8.240 nan 0.000 0.486 276 L N 1.213 122.455 121.223 0.031 0.000 2.513 276 L HA 0.567 4.907 4.340 -0.000 0.000 0.261 276 L C -1.957 174.901 176.870 -0.021 0.000 0.945 276 L CA -0.385 54.502 54.840 0.078 0.000 0.848 276 L CB 2.317 44.526 42.059 0.249 0.000 1.334 276 L HN 0.777 nan 8.230 nan 0.000 0.407 277 D N 4.191 124.612 120.400 0.035 0.000 2.233 277 D HA 0.658 5.297 4.640 -0.000 0.000 0.240 277 D C -0.441 175.862 176.300 0.006 0.000 1.074 277 D CA 0.122 54.147 54.000 0.041 0.000 0.838 277 D CB 2.239 43.090 40.800 0.086 0.000 1.124 277 D HN 0.461 nan 8.370 nan 0.000 0.475 278 V N -0.982 118.920 119.914 -0.020 0.000 3.160 278 V HA 0.430 4.550 4.120 -0.000 0.000 0.310 278 V C 0.261 176.319 176.094 -0.061 0.000 1.181 278 V CA -0.789 61.483 62.300 -0.046 0.000 1.047 278 V CB 2.498 34.284 31.823 -0.061 0.000 1.068 278 V HN 0.276 nan 8.190 nan 0.000 0.441 279 D N 0.168 120.515 120.400 -0.088 0.000 2.271 279 D HA 0.183 4.823 4.640 -0.000 0.000 0.206 279 D C 0.222 176.455 176.300 -0.111 0.000 0.967 279 D CA 1.263 55.206 54.000 -0.095 0.000 0.867 279 D CB 1.309 42.044 40.800 -0.108 0.000 0.960 279 D HN 0.357 nan 8.370 nan 0.000 0.509 280 V N 1.190 121.016 119.914 -0.147 0.000 2.733 280 V HA 0.229 4.348 4.120 -0.000 0.000 0.306 280 V C -0.552 175.457 176.094 -0.142 0.000 1.084 280 V CA -0.815 61.389 62.300 -0.160 0.000 0.905 280 V CB 3.062 34.725 31.823 -0.267 0.000 1.010 280 V HN -0.266 nan 8.190 nan 0.000 0.424 281 V N 5.361 125.218 119.914 -0.096 0.000 2.357 281 V HA 0.495 4.614 4.120 -0.000 0.000 0.284 281 V C -0.095 175.958 176.094 -0.068 0.000 1.018 281 V CA -0.322 61.933 62.300 -0.075 0.000 0.841 281 V CB 1.558 33.346 31.823 -0.057 0.000 0.991 281 V HN 0.878 nan 8.190 nan 0.000 0.437 282 M N 6.110 125.675 119.600 -0.059 0.000 2.101 282 M HA 0.517 4.996 4.480 -0.000 0.000 0.340 282 M C -0.737 175.543 176.300 -0.034 0.000 1.057 282 M CA -0.530 54.735 55.300 -0.058 0.000 0.984 282 M CB 1.180 33.753 32.600 -0.044 0.000 1.560 282 M HN 0.479 nan 8.290 nan 0.000 0.435 283 M N 3.814 123.386 119.600 -0.046 0.000 2.162 283 M HA 0.300 4.780 4.480 -0.000 0.000 0.356 283 M C -0.023 176.260 176.300 -0.029 0.000 1.303 283 M CA 0.067 55.353 55.300 -0.023 0.000 1.116 283 M CB 0.672 33.257 32.600 -0.025 0.000 1.632 283 M HN 0.771 nan 8.290 nan 0.000 0.469 284 A N 4.989 127.818 122.820 0.016 0.000 3.355 284 A HA 0.488 4.808 4.320 -0.000 0.000 0.290 284 A C 0.421 178.047 177.584 0.071 0.000 0.973 284 A CA -0.500 51.556 52.037 0.032 0.000 0.933 284 A CB -0.455 18.581 19.000 0.060 0.000 1.138 284 A HN 0.920 nan 8.150 nan 0.000 0.490 285 I N -2.990 117.615 120.570 0.060 0.000 3.927 285 I HA 0.658 4.828 4.170 -0.000 0.000 0.332 285 I C 0.506 176.675 176.117 0.086 0.000 1.485 285 I CA 0.106 61.458 61.300 0.086 0.000 1.131 285 I CB 0.498 38.542 38.000 0.073 0.000 1.092 285 I HN 0.515 nan 8.210 nan 0.000 0.410 286 G N 1.158 110.004 108.800 0.077 0.000 2.335 286 G HA2 0.154 4.114 3.960 -0.000 0.000 0.592 286 G HA3 0.154 4.114 3.960 -0.000 0.000 0.592 286 G C -1.395 173.538 174.900 0.055 0.000 1.442 286 G CA -1.200 43.947 45.100 0.078 0.000 0.976 286 G HN 0.259 nan 8.290 nan 0.000 0.652 287 R N -0.451 120.084 120.500 0.059 0.000 2.670 287 R HA 0.767 5.107 4.340 -0.000 0.000 0.289 287 R C 0.191 176.544 176.300 0.089 0.000 0.965 287 R CA -0.911 55.227 56.100 0.062 0.000 0.899 287 R CB 2.044 32.374 30.300 0.050 0.000 1.173 287 R HN 0.770 nan 8.270 nan 0.000 0.456 288 I N -1.187 119.459 120.570 0.126 0.000 2.646 288 I HA 0.588 4.758 4.170 -0.000 0.000 0.299 288 I C -2.605 173.600 176.117 0.147 0.000 1.036 288 I CA -3.332 58.043 61.300 0.125 0.000 1.074 288 I CB 2.181 40.254 38.000 0.120 0.000 1.258 288 I HN 0.273 nan 8.210 nan 0.000 0.430 289 P HA 0.149 nan 4.420 nan 0.000 0.268 289 P C -0.959 176.405 177.300 0.107 0.000 1.204 289 P CA -0.094 63.068 63.100 0.103 0.000 0.768 289 P CB 0.368 32.112 31.700 0.073 0.000 0.842 290 R N 1.952 122.519 120.500 0.111 0.000 2.612 290 R HA 0.134 4.474 4.340 -0.000 0.000 0.273 290 R C 1.034 177.361 176.300 0.046 0.000 1.376 290 R CA 0.207 56.353 56.100 0.077 0.000 1.171 290 R CB -0.440 29.905 30.300 0.075 0.000 1.151 290 R HN 0.571 nan 8.270 nan 0.000 0.560 291 T N -2.754 111.822 114.554 0.035 0.000 2.969 291 T HA 0.003 4.353 4.350 -0.000 0.000 0.250 291 T C 1.407 176.112 174.700 0.008 0.000 1.021 291 T CA -0.044 62.071 62.100 0.025 0.000 1.003 291 T CB 0.105 68.988 68.868 0.026 0.000 1.040 291 T HN 0.291 nan 8.240 nan 0.000 0.492 292 N N 1.888 120.586 118.700 -0.003 0.000 2.223 292 N HA -0.087 4.653 4.740 -0.000 0.000 0.185 292 N C 0.964 176.451 175.510 -0.038 0.000 1.016 292 N CA 1.464 54.501 53.050 -0.023 0.000 0.863 292 N CB -0.069 38.396 38.487 -0.035 0.000 0.983 292 N HN 0.368 nan 8.380 nan 0.000 0.429 293 D N -0.318 120.062 120.400 -0.033 0.000 2.340 293 D HA 0.028 4.667 4.640 -0.000 0.000 0.220 293 D C 1.263 177.565 176.300 0.004 0.000 1.039 293 D CA 0.192 54.170 54.000 -0.037 0.000 0.866 293 D CB 0.201 40.989 40.800 -0.020 0.000 0.913 293 D HN 0.373 nan 8.370 nan 0.000 0.523 294 L N 0.234 121.462 121.223 0.008 0.000 2.478 294 L HA -0.044 4.295 4.340 -0.000 0.000 0.223 294 L C 0.238 177.105 176.870 -0.004 0.000 1.140 294 L CA 0.205 55.051 54.840 0.010 0.000 0.842 294 L CB -0.141 41.925 42.059 0.012 0.000 0.953 294 L HN -0.151 nan 8.230 nan 0.000 0.452 295 Q N -0.277 119.515 119.800 -0.014 0.000 2.451 295 Q HA -0.223 4.116 4.340 -0.000 0.000 0.305 295 Q C 1.076 177.066 176.000 -0.016 0.000 1.345 295 Q CA 0.623 56.414 55.803 -0.020 0.000 0.854 295 Q CB -2.190 26.534 28.738 -0.024 0.000 1.162 295 Q HN 0.498 nan 8.270 nan 0.000 0.440 296 L N -1.697 119.519 121.223 -0.012 0.000 2.187 296 L HA -0.185 4.155 4.340 -0.000 0.000 0.213 296 L C 2.208 179.069 176.870 -0.014 0.000 1.100 296 L CA 1.640 56.474 54.840 -0.011 0.000 0.765 296 L CB -0.479 41.577 42.059 -0.006 0.000 0.904 296 L HN 0.553 nan 8.230 nan 0.000 0.437 297 G N -0.071 108.721 108.800 -0.014 0.000 2.462 297 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.220 297 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.220 297 G C 1.337 176.227 174.900 -0.017 0.000 1.121 297 G CA 0.604 45.695 45.100 -0.015 0.000 0.758 297 G HN 0.361 nan 8.290 nan 0.000 0.559 298 N N 0.135 118.823 118.700 -0.019 0.000 2.289 298 N HA -0.099 4.641 4.740 -0.000 0.000 0.184 298 N C 2.154 177.651 175.510 -0.021 0.000 1.016 298 N CA 1.651 54.689 53.050 -0.020 0.000 0.872 298 N CB 0.028 38.502 38.487 -0.021 0.000 0.973 298 N HN 0.460 nan 8.380 nan 0.000 0.433 299 V N -5.610 114.291 119.914 -0.022 0.000 3.502 299 V HA 0.554 4.673 4.120 -0.000 0.000 0.288 299 V C 1.088 177.166 176.094 -0.025 0.000 1.461 299 V CA 0.268 62.552 62.300 -0.026 0.000 1.029 299 V CB 0.194 31.997 31.823 -0.033 0.000 0.843 299 V HN 0.149 nan 8.190 nan 0.000 0.438 300 G N 0.911 109.698 108.800 -0.020 0.000 2.137 300 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.237 300 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.237 300 G C 0.036 174.926 174.900 -0.017 0.000 1.002 300 G CA 0.048 45.138 45.100 -0.017 0.000 0.702 300 G HN 0.800 nan 8.290 nan 0.000 0.515 301 V N 0.860 120.763 119.914 -0.018 0.000 2.485 301 V HA 0.191 4.311 4.120 -0.000 0.000 0.287 301 V C 1.097 177.188 176.094 -0.006 0.000 1.022 301 V CA 0.476 62.767 62.300 -0.015 0.000 1.067 301 V CB 0.891 32.705 31.823 -0.015 0.000 0.967 301 V HN 0.387 nan 8.190 nan 0.000 0.479 302 K N 5.306 125.705 120.400 -0.003 0.000 2.218 302 K HA 0.531 4.851 4.320 -0.000 0.000 0.276 302 K C -0.549 176.056 176.600 0.007 0.000 1.022 302 K CA -0.361 55.927 56.287 0.002 0.000 0.946 302 K CB 0.938 33.440 32.500 0.004 0.000 1.000 302 K HN 0.512 nan 8.250 nan 0.000 0.468 303 L N 2.072 123.300 121.223 0.008 0.000 2.343 303 L HA 0.273 4.613 4.340 -0.000 0.000 0.275 303 L C 0.935 177.812 176.870 0.012 0.000 1.056 303 L CA -0.867 53.981 54.840 0.013 0.000 0.804 303 L CB 1.420 43.487 42.059 0.013 0.000 1.203 303 L HN 0.786 nan 8.230 nan 0.000 0.440 304 T N -1.443 113.120 114.554 0.014 0.000 2.802 304 T HA 0.119 4.469 4.350 -0.000 0.000 0.305 304 T C -1.745 172.963 174.700 0.013 0.000 1.053 304 T CA -1.182 60.925 62.100 0.012 0.000 1.058 304 T CB 0.728 69.603 68.868 0.011 0.000 0.988 304 T HN 0.398 nan 8.240 nan 0.000 0.539 305 P HA -0.070 nan 4.420 nan 0.000 0.216 305 P C 1.513 178.823 177.300 0.017 0.000 1.150 305 P CA 0.869 63.977 63.100 0.013 0.000 0.843 305 P CB 0.063 31.770 31.700 0.011 0.000 0.787 306 K N -1.687 118.724 120.400 0.018 0.000 2.209 306 K HA 0.018 4.338 4.320 -0.000 0.000 0.204 306 K C 1.722 178.339 176.600 0.029 0.000 1.048 306 K CA 1.426 57.727 56.287 0.024 0.000 0.940 306 K CB -0.986 31.528 32.500 0.024 0.000 0.729 306 K HN 0.322 nan 8.250 nan 0.000 0.451 307 G N -0.672 108.144 108.800 0.027 0.000 2.211 307 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.201 307 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.201 307 G C 0.503 175.423 174.900 0.034 0.000 0.997 307 G CA -0.040 45.078 45.100 0.031 0.000 0.652 307 G HN 0.575 nan 8.290 nan 0.000 0.500 308 G N -0.304 108.515 108.800 0.032 0.000 2.572 308 G HA2 0.571 4.530 3.960 -0.000 0.000 0.261 308 G HA3 0.571 4.530 3.960 -0.000 0.000 0.261 308 G C 0.348 175.265 174.900 0.029 0.000 1.197 308 G CA 0.179 45.299 45.100 0.033 0.000 0.870 308 G HN 0.918 nan 8.290 nan 0.000 0.548 309 V N 1.259 121.192 119.914 0.033 0.000 2.479 309 V HA 0.065 4.185 4.120 -0.000 0.000 0.281 309 V C 0.786 176.897 176.094 0.029 0.000 1.031 309 V CA -0.036 62.282 62.300 0.030 0.000 1.038 309 V CB 0.925 32.770 31.823 0.037 0.000 0.981 309 V HN 0.811 nan 8.190 nan 0.000 0.478 310 Q N 4.088 123.902 119.800 0.023 0.000 2.313 310 Q HA 0.484 4.823 4.340 -0.000 0.000 0.266 310 Q C -0.634 175.386 176.000 0.032 0.000 0.989 310 Q CA -0.258 55.558 55.803 0.021 0.000 0.890 310 Q CB 1.286 30.034 28.738 0.017 0.000 1.200 310 Q HN 0.791 nan 8.270 nan 0.000 0.396 311 V N 0.489 120.423 119.914 0.033 0.000 3.159 311 V HA 0.537 4.656 4.120 -0.000 0.000 0.308 311 V C -0.859 175.267 176.094 0.053 0.000 1.190 311 V CA -1.116 61.218 62.300 0.057 0.000 1.037 311 V CB 1.842 33.709 31.823 0.073 0.000 1.060 311 V HN 0.942 nan 8.190 nan 0.000 0.437 312 D N 0.176 120.630 120.400 0.090 0.000 2.506 312 D HA 0.277 4.917 4.640 -0.000 0.000 0.272 312 D C 0.748 177.094 176.300 0.077 0.000 1.214 312 D CA -0.193 53.867 54.000 0.099 0.000 1.067 312 D CB 0.677 41.571 40.800 0.156 0.000 1.117 312 D HN 0.690 nan 8.370 nan 0.000 0.578 313 E N -1.295 118.931 120.200 0.043 0.000 2.267 313 E HA -0.113 4.237 4.350 -0.000 0.000 0.197 313 E C 0.782 177.218 176.600 -0.273 0.000 0.998 313 E CA 0.887 57.211 56.400 -0.128 0.000 0.830 313 E CB -0.327 29.225 29.700 -0.245 0.000 0.751 313 E HN 0.413 nan 8.360 nan 0.000 0.491 314 F N -0.319 119.667 119.950 0.059 0.000 2.641 314 F HA 0.185 4.712 4.527 -0.001 0.000 0.302 314 F C 0.713 176.550 175.800 0.062 0.000 1.098 314 F CA -0.117 57.910 58.000 0.044 0.000 1.318 314 F CB 0.509 39.522 39.000 0.021 0.000 1.035 314 F HN -0.237 nan 8.300 nan 0.000 0.551 315 S N -0.306 115.502 115.700 0.181 0.000 3.361 315 S HA -0.227 4.243 4.470 -0.000 0.000 0.288 315 S C 0.423 175.188 174.600 0.274 0.000 1.269 315 S CA 0.284 58.596 58.200 0.186 0.000 0.976 315 S CB -1.430 61.864 63.200 0.156 0.000 1.162 315 S HN 0.459 nan 8.310 nan 0.000 0.643 316 R N 2.361 123.030 120.500 0.282 0.000 2.308 316 R HA 0.410 4.750 4.340 -0.000 0.000 0.305 316 R C 1.123 177.504 176.300 0.135 0.000 1.053 316 R CA 0.318 56.582 56.100 0.274 0.000 0.957 316 R CB 0.606 31.055 30.300 0.248 0.000 1.022 316 R HN 0.500 nan 8.270 nan 0.000 0.461 317 T N -1.121 113.470 114.554 0.061 0.000 2.698 317 T HA -0.029 4.321 4.350 -0.000 0.000 0.295 317 T C 1.168 175.869 174.700 0.003 0.000 1.007 317 T CA -0.250 61.859 62.100 0.016 0.000 0.980 317 T CB 0.448 69.303 68.868 -0.023 0.000 1.036 317 T HN 0.769 nan 8.240 nan 0.000 0.526 318 N N -0.860 117.838 118.700 -0.004 0.000 2.512 318 N HA 0.015 4.755 4.740 -0.000 0.000 0.183 318 N C -0.084 175.410 175.510 -0.026 0.000 1.073 318 N CA -0.026 53.020 53.050 -0.007 0.000 0.911 318 N CB -0.131 38.354 38.487 -0.004 0.000 0.964 318 N HN 0.330 nan 8.380 nan 0.000 0.447 319 V N 1.652 121.535 119.914 -0.051 0.000 2.364 319 V HA 0.203 4.323 4.120 -0.000 0.000 0.272 319 V C -1.343 174.681 176.094 -0.117 0.000 1.036 319 V CA -1.535 60.721 62.300 -0.074 0.000 0.880 319 V CB 1.402 33.177 31.823 -0.079 0.000 0.991 319 V HN -0.022 nan 8.190 nan 0.000 0.460 320 P HA -0.145 nan 4.420 nan 0.000 0.216 320 P C 0.865 178.079 177.300 -0.144 0.000 1.150 320 P CA 1.421 64.474 63.100 -0.079 0.000 0.843 320 P CB 0.097 31.769 31.700 -0.047 0.000 0.787 321 N N -1.355 117.202 118.700 -0.237 0.000 2.238 321 N HA 0.078 4.818 4.740 -0.000 0.000 0.222 321 N C -0.171 174.932 175.510 -0.678 0.000 1.133 321 N CA -0.021 52.825 53.050 -0.340 0.000 0.854 321 N CB 0.096 38.450 38.487 -0.222 0.000 1.041 321 N HN 0.176 nan 8.380 nan 0.000 0.510 322 I N 1.485 121.634 120.570 -0.701 0.000 2.389 322 I HA 0.336 4.506 4.170 -0.000 0.000 0.288 322 I C -0.917 174.814 176.117 -0.644 0.000 0.999 322 I CA -0.957 60.013 61.300 -0.551 0.000 1.129 322 I CB 0.767 38.633 38.000 -0.224 0.000 1.288 322 I HN -0.127 nan 8.210 nan 0.000 0.444 323 Y N 4.502 124.842 120.300 0.067 0.000 2.567 323 Y HA 0.847 5.397 4.550 -0.000 0.000 0.333 323 Y C 0.215 176.152 175.900 0.063 0.000 1.106 323 Y CA -1.202 56.938 58.100 0.066 0.000 1.157 323 Y CB 1.579 40.081 38.460 0.070 0.000 1.277 323 Y HN 0.528 nan 8.280 nan 0.000 0.490 324 A N 2.059 125.012 122.820 0.222 0.000 2.455 324 A HA 0.884 5.203 4.320 -0.000 0.000 0.300 324 A C -1.186 176.479 177.584 0.136 0.000 1.040 324 A CA -0.630 51.493 52.037 0.144 0.000 0.697 324 A CB 1.023 20.081 19.000 0.097 0.000 1.265 324 A HN 0.820 nan 8.150 nan 0.000 0.407 325 I N -1.243 119.397 120.570 0.117 0.000 3.102 325 I HA 0.930 5.100 4.170 -0.000 0.000 0.310 325 I C 0.456 176.629 176.117 0.093 0.000 1.246 325 I CA -0.288 61.076 61.300 0.107 0.000 0.979 325 I CB 1.904 39.967 38.000 0.105 0.000 1.267 325 I HN 2.041 nan 8.210 nan 0.000 0.451 326 G N 2.589 111.444 108.800 0.091 0.000 2.593 326 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.237 326 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.237 326 G C -0.039 174.905 174.900 0.073 0.000 1.312 326 G CA 0.623 45.770 45.100 0.079 0.000 0.896 326 G HN 0.862 nan 8.290 nan 0.000 0.574 327 D N -0.316 120.125 120.400 0.068 0.000 2.221 327 D HA -0.054 4.586 4.640 -0.000 0.000 0.204 327 D C 2.321 178.662 176.300 0.069 0.000 0.982 327 D CA 1.077 55.115 54.000 0.065 0.000 0.857 327 D CB -0.096 40.746 40.800 0.071 0.000 0.934 327 D HN 0.476 nan 8.370 nan 0.000 0.475 328 I N 0.832 121.445 120.570 0.072 0.000 2.530 328 I HA -0.240 3.930 4.170 -0.000 0.000 0.257 328 I C 1.707 177.858 176.117 0.057 0.000 1.179 328 I CA 1.364 62.704 61.300 0.068 0.000 1.440 328 I CB -0.008 38.031 38.000 0.066 0.000 1.087 328 I HN 0.069 nan 8.210 nan 0.000 0.440 329 T N -3.151 111.436 114.554 0.055 0.000 3.129 329 T HA -0.018 4.332 4.350 -0.000 0.000 0.251 329 T C 0.909 175.625 174.700 0.027 0.000 1.117 329 T CA 0.424 62.548 62.100 0.040 0.000 1.034 329 T CB -0.272 68.619 68.868 0.039 0.000 0.968 329 T HN 0.426 nan 8.240 nan 0.000 0.526 330 D N 0.788 121.210 120.400 0.036 0.000 2.689 330 D HA -0.181 4.459 4.640 -0.000 0.000 0.237 330 D C 0.470 176.779 176.300 0.016 0.000 1.148 330 D CA 0.840 54.860 54.000 0.033 0.000 0.656 330 D CB -1.050 39.771 40.800 0.035 0.000 1.050 330 D HN 0.728 nan 8.370 nan 0.000 0.426 331 R N -0.499 120.007 120.500 0.010 0.000 2.091 331 R HA 0.477 4.817 4.340 -0.000 0.000 0.121 331 R C 0.140 176.450 176.300 0.018 0.000 1.812 331 R CA -0.548 55.545 56.100 -0.012 0.000 1.565 331 R CB 0.105 30.359 30.300 -0.077 0.000 1.305 331 R HN 0.142 nan 8.270 nan 0.000 0.467 332 L N 3.475 124.727 121.223 0.047 0.000 2.283 332 L HA 0.327 4.666 4.340 -0.000 0.000 0.287 332 L C -0.383 176.513 176.870 0.043 0.000 1.073 332 L CA -0.008 54.870 54.840 0.063 0.000 0.822 332 L CB 1.279 43.409 42.059 0.119 0.000 1.186 332 L HN 0.555 nan 8.230 nan 0.000 0.436 333 M N 6.815 126.415 119.600 -0.001 0.000 2.923 333 M HA 0.348 4.828 4.480 -0.000 0.000 0.311 333 M C -0.912 175.356 176.300 -0.052 0.000 1.376 333 M CA 0.233 55.521 55.300 -0.019 0.000 1.468 333 M CB -0.020 32.560 32.600 -0.033 0.000 1.151 333 M HN 0.431 nan 8.290 nan 0.000 0.517 334 L N 0.037 121.258 121.223 -0.004 0.000 2.422 334 L HA 0.401 4.741 4.340 -0.000 0.000 0.264 334 L C 1.083 177.970 176.870 0.029 0.000 0.984 334 L CA -0.513 54.329 54.840 0.005 0.000 0.819 334 L CB 2.380 44.454 42.059 0.026 0.000 1.330 334 L HN 0.312 nan 8.230 nan 0.000 0.410 335 T N 1.308 115.883 114.554 0.034 0.000 2.622 335 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 335 T C -1.133 173.590 174.700 0.038 0.000 1.047 335 T CA 1.879 64.001 62.100 0.036 0.000 1.159 335 T CB -0.449 68.439 68.868 0.035 0.000 0.863 335 T HN 0.464 nan 8.240 nan 0.000 0.422 336 P HA 0.028 nan 4.420 nan 0.000 0.222 336 P C 1.407 178.721 177.300 0.024 0.000 1.147 336 P CA 0.476 63.597 63.100 0.035 0.000 0.790 336 P CB -0.105 31.621 31.700 0.043 0.000 0.780 337 V N 0.134 120.063 119.914 0.026 0.000 2.379 337 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 337 V C 2.462 178.573 176.094 0.029 0.000 1.044 337 V CA 2.107 64.414 62.300 0.013 0.000 1.036 337 V CB -1.663 30.182 31.823 0.036 0.000 0.664 337 V HN 0.100 nan 8.190 nan 0.000 0.453 338 A N 0.170 123.017 122.820 0.045 0.000 1.883 338 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 338 A C 2.197 179.811 177.584 0.051 0.000 1.186 338 A CA 2.017 54.087 52.037 0.055 0.000 0.624 338 A CB -0.595 18.437 19.000 0.054 0.000 0.822 338 A HN 0.488 nan 8.150 nan 0.000 0.444 339 I N 0.037 120.633 120.570 0.043 0.000 2.208 339 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 339 I C 2.558 178.702 176.117 0.044 0.000 1.097 339 I CA 1.661 62.989 61.300 0.046 0.000 1.363 339 I CB -0.411 37.612 38.000 0.038 0.000 1.051 339 I HN 0.508 nan 8.210 nan 0.000 0.413 340 N N 0.934 119.648 118.700 0.023 0.000 2.216 340 N HA -0.178 4.562 4.740 -0.000 0.000 0.183 340 N C 1.709 177.223 175.510 0.006 0.000 1.017 340 N CA 1.260 54.315 53.050 0.007 0.000 0.861 340 N CB 0.099 38.570 38.487 -0.027 0.000 0.986 340 N HN 0.424 nan 8.380 nan 0.000 0.428 341 E N -0.132 120.075 120.200 0.011 0.000 2.077 341 E HA -0.122 4.227 4.350 -0.000 0.000 0.193 341 E C 1.980 178.609 176.600 0.049 0.000 0.989 341 E CA 1.112 57.531 56.400 0.031 0.000 0.800 341 E CB -0.355 29.384 29.700 0.066 0.000 0.746 341 E HN 0.446 nan 8.360 nan 0.000 0.452 342 G N 1.288 110.127 108.800 0.065 0.000 2.446 342 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.217 342 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.217 342 G C 1.695 176.650 174.900 0.091 0.000 1.168 342 G CA 1.063 46.213 45.100 0.083 0.000 0.771 342 G HN 0.362 nan 8.290 nan 0.000 0.551 343 A N 1.159 124.033 122.820 0.089 0.000 1.873 343 A HA 0.292 4.612 4.320 -0.000 0.000 0.215 343 A C 2.859 180.499 177.584 0.093 0.000 1.186 343 A CA 2.341 54.441 52.037 0.106 0.000 0.616 343 A CB -0.930 18.125 19.000 0.092 0.000 0.823 343 A HN 0.851 nan 8.150 nan 0.000 0.442 344 A N -0.316 122.539 122.820 0.058 0.000 1.883 344 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 344 A C 2.174 179.782 177.584 0.040 0.000 1.186 344 A CA 1.847 53.912 52.037 0.046 0.000 0.624 344 A CB -0.778 18.229 19.000 0.012 0.000 0.822 344 A HN 0.795 nan 8.150 nan 0.000 0.444 345 L N -0.177 121.055 121.223 0.016 0.000 1.990 345 L HA -0.164 4.176 4.340 -0.000 0.000 0.213 345 L C 2.387 179.186 176.870 -0.117 0.000 1.072 345 L CA 2.293 57.094 54.840 -0.065 0.000 0.755 345 L CB -0.527 41.483 42.059 -0.081 0.000 0.889 345 L HN 0.151 nan 8.230 nan 0.000 0.432 346 V N -0.241 119.676 119.914 0.006 0.000 2.427 346 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 346 V C 2.229 178.342 176.094 0.032 0.000 1.051 346 V CA 1.821 64.180 62.300 0.098 0.000 1.048 346 V CB -0.744 31.230 31.823 0.251 0.000 0.666 346 V HN 0.487 nan 8.190 nan 0.000 0.456 347 D N -0.124 120.328 120.400 0.087 0.000 2.149 347 D HA -0.140 4.499 4.640 -0.000 0.000 0.198 347 D C 2.270 178.518 176.300 -0.087 0.000 0.990 347 D CA 1.876 55.910 54.000 0.057 0.000 0.839 347 D CB -0.260 40.617 40.800 0.127 0.000 0.948 347 D HN 0.414 nan 8.370 nan 0.000 0.460 348 T N -0.124 114.380 114.554 -0.084 0.000 2.732 348 T HA -0.049 4.301 4.350 -0.000 0.000 0.261 348 T C 2.218 176.755 174.700 -0.273 0.000 1.040 348 T CA 0.661 62.688 62.100 -0.121 0.000 1.145 348 T CB -0.261 68.586 68.868 -0.035 0.000 0.866 348 T HN -0.031 nan 8.240 nan 0.000 0.427 349 V N 0.033 119.683 119.914 -0.439 0.000 2.488 349 V HA 0.043 4.163 4.120 -0.000 0.000 0.246 349 V C 1.619 177.257 176.094 -0.760 0.000 1.046 349 V CA 1.459 63.319 62.300 -0.732 0.000 1.053 349 V CB -0.432 30.663 31.823 -1.214 0.000 0.679 349 V HN 0.398 nan 8.190 nan 0.000 0.458 350 F N -0.408 119.292 119.950 -0.417 0.000 2.784 350 F HA 0.404 4.931 4.527 -0.000 0.000 0.323 350 F C 1.979 177.327 175.800 -0.753 0.000 1.085 350 F CA 0.446 58.153 58.000 -0.488 0.000 1.196 350 F CB -0.022 38.693 39.000 -0.473 0.000 1.053 350 F HN 0.107 nan 8.300 nan 0.000 0.578 351 G N -1.006 107.410 108.800 -0.641 0.000 3.020 351 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.217 351 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.217 351 G C 0.185 174.977 174.900 -0.181 0.000 1.144 351 G CA -0.145 44.578 45.100 -0.628 0.000 0.760 351 G HN 0.117 nan 8.290 nan 0.000 0.548 352 N N 0.297 118.900 118.700 -0.161 0.000 2.696 352 N HA -0.173 4.567 4.740 -0.000 0.000 0.271 352 N C -0.103 175.385 175.510 -0.037 0.000 0.997 352 N CA 1.483 54.481 53.050 -0.087 0.000 0.801 352 N CB -0.669 37.784 38.487 -0.057 0.000 0.913 352 N HN 0.731 nan 8.380 nan 0.000 0.557 353 K N -1.765 118.617 120.400 -0.029 0.000 2.896 353 K HA 0.444 4.764 4.320 -0.000 0.000 0.228 353 K C -3.211 173.409 176.600 0.034 0.000 1.151 353 K CA -1.410 54.887 56.287 0.017 0.000 1.035 353 K CB 1.140 33.670 32.500 0.049 0.000 1.263 353 K HN -0.171 nan 8.250 nan 0.000 0.574 354 P HA 0.095 nan 4.420 nan 0.000 0.264 354 P C -1.047 176.377 177.300 0.206 0.000 1.183 354 P CA -0.150 63.010 63.100 0.098 0.000 0.763 354 P CB 0.568 32.291 31.700 0.038 0.000 0.807 355 R N 1.572 122.252 120.500 0.299 0.000 2.561 355 R HA 0.361 4.701 4.340 -0.000 0.000 0.266 355 R C -0.964 175.372 176.300 0.060 0.000 1.091 355 R CA -0.830 55.369 56.100 0.165 0.000 0.927 355 R CB 1.516 31.869 30.300 0.088 0.000 1.240 355 R HN 0.426 nan 8.270 nan 0.000 0.449 356 K N 1.222 121.534 120.400 -0.148 0.000 2.318 356 K HA 0.482 4.801 4.320 -0.000 0.000 0.249 356 K C -0.918 175.574 176.600 -0.180 0.000 0.942 356 K CA -0.922 55.165 56.287 -0.335 0.000 0.808 356 K CB 2.145 34.231 32.500 -0.689 0.000 1.189 356 K HN 0.251 nan 8.250 nan 0.000 0.428 357 T N 1.758 116.214 114.554 -0.165 0.000 2.870 357 T HA -0.027 4.322 4.350 -0.000 0.000 0.300 357 T C -0.496 174.053 174.700 -0.252 0.000 0.989 357 T CA 0.185 62.154 62.100 -0.218 0.000 1.139 357 T CB 0.412 69.101 68.868 -0.298 0.000 0.920 357 T HN 0.531 nan 8.240 nan 0.000 0.537 358 D N 1.619 121.892 120.400 -0.212 0.000 2.374 358 D HA 0.094 4.734 4.640 -0.000 0.000 0.240 358 D C 0.680 176.844 176.300 -0.226 0.000 1.229 358 D CA -0.282 53.635 54.000 -0.138 0.000 0.895 358 D CB 0.389 41.148 40.800 -0.068 0.000 1.046 358 D HN 0.529 nan 8.370 nan 0.000 0.498 359 H N 0.946 120.006 119.070 -0.017 0.000 2.563 359 H HA 0.079 4.634 4.556 -0.000 0.000 0.272 359 H C 0.789 176.120 175.328 0.006 0.000 1.005 359 H CA 0.738 56.783 56.048 -0.004 0.000 1.171 359 H CB -0.001 29.758 29.762 -0.006 0.000 1.351 359 H HN 0.321 nan 8.280 nan 0.000 0.602 360 T N -2.181 112.416 114.554 0.071 0.000 2.944 360 T HA 0.377 4.726 4.350 -0.000 0.000 0.284 360 T C 0.514 175.236 174.700 0.037 0.000 1.010 360 T CA -1.060 61.077 62.100 0.062 0.000 1.025 360 T CB 1.723 70.627 68.868 0.061 0.000 1.079 360 T HN 0.351 nan 8.240 nan 0.000 0.516 361 R N -0.800 119.723 120.500 0.040 0.000 3.770 361 R HA -0.100 4.239 4.340 -0.000 0.000 0.305 361 R C -0.487 175.827 176.300 0.023 0.000 1.184 361 R CA 0.400 56.517 56.100 0.029 0.000 0.823 361 R CB -2.483 27.834 30.300 0.029 0.000 1.285 361 R HN 0.583 nan 8.270 nan 0.000 0.499 362 V N 1.219 121.149 119.914 0.027 0.000 2.470 362 V HA 0.368 4.488 4.120 -0.000 0.000 0.276 362 V C 1.236 177.353 176.094 0.039 0.000 1.040 362 V CA 0.211 62.528 62.300 0.028 0.000 1.008 362 V CB 1.223 33.066 31.823 0.032 0.000 0.990 362 V HN 0.364 nan 8.190 nan 0.000 0.477 363 A N 5.098 127.942 122.820 0.040 0.000 2.425 363 A HA 0.708 5.028 4.320 -0.000 0.000 0.249 363 A C 0.505 178.133 177.584 0.074 0.000 1.084 363 A CA 0.379 52.446 52.037 0.049 0.000 0.781 363 A CB 0.442 19.468 19.000 0.044 0.000 1.019 363 A HN 1.279 nan 8.150 nan 0.000 0.490 364 S N 0.026 115.780 115.700 0.091 0.000 2.643 364 S HA 0.854 5.324 4.470 -0.000 0.000 0.270 364 S C -0.697 173.969 174.600 0.111 0.000 1.166 364 S CA -0.121 58.160 58.200 0.136 0.000 0.815 364 S CB 1.206 64.527 63.200 0.202 0.000 1.139 364 S HN 2.344 nan 8.310 nan 0.000 0.472 365 A N 0.380 123.261 122.820 0.102 0.000 2.498 365 A HA 0.826 5.145 4.320 -0.000 0.000 0.298 365 A C -1.292 176.228 177.584 -0.105 0.000 1.075 365 A CA -0.793 51.145 52.037 -0.166 0.000 0.714 365 A CB 1.754 20.337 19.000 -0.696 0.000 1.299 365 A HN 1.331 nan 8.150 nan 0.000 0.407 366 V N 1.158 120.891 119.914 -0.302 0.000 2.384 366 V HA 0.350 4.469 4.120 -0.000 0.000 0.287 366 V C -0.863 175.004 176.094 -0.378 0.000 1.020 366 V CA -0.097 62.045 62.300 -0.264 0.000 0.850 366 V CB 0.877 32.398 31.823 -0.504 0.000 0.987 366 V HN 0.722 nan 8.190 nan 0.000 0.436 367 F N 2.964 122.911 119.950 -0.005 0.000 2.833 367 F HA 0.229 4.756 4.527 -0.001 0.000 0.327 367 F C 1.473 177.222 175.800 -0.086 0.000 1.184 367 F CA -0.340 57.635 58.000 -0.042 0.000 1.328 367 F CB -0.274 38.710 39.000 -0.027 0.000 1.440 367 F HN 0.551 nan 8.300 nan 0.000 0.569 368 S N -0.126 115.545 115.700 -0.049 0.000 2.634 368 S HA 0.588 5.058 4.470 -0.000 0.000 0.261 368 S C -0.230 174.332 174.600 -0.063 0.000 1.271 368 S CA -0.664 57.488 58.200 -0.080 0.000 0.985 368 S CB 1.493 64.596 63.200 -0.161 0.000 0.968 368 S HN 0.288 nan 8.310 nan 0.000 0.568 369 I N 2.410 122.942 120.570 -0.063 0.000 2.437 369 I HA 0.329 4.498 4.170 -0.000 0.000 0.279 369 I C -2.247 173.839 176.117 -0.052 0.000 1.028 369 I CA -2.128 59.140 61.300 -0.053 0.000 1.142 369 I CB 1.976 39.950 38.000 -0.043 0.000 1.266 369 I HN 0.528 nan 8.210 nan 0.000 0.461 370 P HA 0.348 nan 4.420 nan 0.000 0.277 370 P C -2.808 174.415 177.300 -0.128 0.000 1.240 370 P CA -1.631 61.416 63.100 -0.089 0.000 0.798 370 P CB 0.794 32.430 31.700 -0.106 0.000 0.979 371 P HA 0.397 nan 4.420 nan 0.000 0.278 371 P C -0.374 176.784 177.300 -0.237 0.000 1.258 371 P CA -0.338 62.654 63.100 -0.181 0.000 0.811 371 P CB 1.125 32.734 31.700 -0.151 0.000 1.063 372 I N 0.180 120.584 120.570 -0.277 0.000 2.530 372 I HA 0.583 4.752 4.170 -0.000 0.000 0.297 372 I C 0.603 176.607 176.117 -0.188 0.000 1.011 372 I CA -0.516 60.643 61.300 -0.236 0.000 1.107 372 I CB 2.135 39.971 38.000 -0.274 0.000 1.285 372 I HN 0.380 nan 8.210 nan 0.000 0.436 373 G N 2.336 111.076 108.800 -0.101 0.000 2.617 373 G HA2 0.617 4.577 3.960 -0.000 0.000 0.306 373 G HA3 0.617 4.577 3.960 -0.000 0.000 0.306 373 G C -1.264 173.656 174.900 0.035 0.000 1.360 373 G CA -0.355 44.721 45.100 -0.039 0.000 0.983 373 G HN 0.474 nan 8.290 nan 0.000 0.496 374 T N -0.643 113.951 114.554 0.068 0.000 2.923 374 T HA 0.540 4.890 4.350 -0.000 0.000 0.311 374 T C -1.548 173.166 174.700 0.023 0.000 1.183 374 T CA -0.469 61.679 62.100 0.080 0.000 1.020 374 T CB 1.537 70.541 68.868 0.227 0.000 1.165 374 T HN 1.046 nan 8.240 nan 0.000 0.482 375 C N 3.736 122.996 119.300 -0.066 0.000 2.607 375 C HA 0.874 5.334 4.460 -0.000 0.000 0.350 375 C C 0.774 175.720 174.990 -0.073 0.000 1.101 375 C CA 1.144 60.137 59.018 -0.041 0.000 1.282 375 C CB -0.230 27.493 27.740 -0.028 0.000 1.825 375 C HN 1.672 nan 8.230 nan 0.000 0.460 376 G N 4.740 113.541 108.800 0.003 0.000 2.545 376 G HA2 -0.086 3.873 3.960 -0.000 0.000 0.216 376 G HA3 -0.086 3.873 3.960 -0.000 0.000 0.216 376 G C -1.023 173.938 174.900 0.102 0.000 1.314 376 G CA -0.308 44.808 45.100 0.027 0.000 0.906 376 G HN 1.031 nan 8.290 nan 0.000 0.563 377 L N 1.397 122.688 121.223 0.114 0.000 2.326 377 L HA 0.533 4.873 4.340 -0.000 0.000 0.278 377 L C 1.528 178.531 176.870 0.222 0.000 1.092 377 L CA -0.758 54.162 54.840 0.134 0.000 0.810 377 L CB 0.985 43.114 42.059 0.117 0.000 1.153 377 L HN 0.709 nan 8.230 nan 0.000 0.439 378 I N -0.517 120.093 120.570 0.067 0.000 2.945 378 I HA 0.085 4.255 4.170 -0.000 0.000 0.292 378 I C 1.362 177.466 176.117 -0.022 0.000 1.093 378 I CA -0.520 60.732 61.300 -0.081 0.000 1.336 378 I CB 0.687 38.559 38.000 -0.213 0.000 1.435 378 I HN 0.829 nan 8.210 nan 0.000 0.593 379 E N 2.483 122.661 120.200 -0.036 0.000 2.110 379 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 379 E C 1.391 177.822 176.600 -0.281 0.000 0.988 379 E CA 1.743 58.102 56.400 -0.068 0.000 0.804 379 E CB -0.317 29.431 29.700 0.081 0.000 0.745 379 E HN 0.839 nan 8.360 nan 0.000 0.458 380 E N 1.077 121.133 120.200 -0.240 0.000 2.153 380 E HA -0.127 4.222 4.350 -0.000 0.000 0.194 380 E C 2.170 178.677 176.600 -0.156 0.000 0.988 380 E CA 1.298 57.548 56.400 -0.251 0.000 0.811 380 E CB -0.082 29.544 29.700 -0.122 0.000 0.746 380 E HN 0.127 nan 8.360 nan 0.000 0.466 381 V N 0.753 120.615 119.914 -0.086 0.000 2.346 381 V HA -0.143 3.977 4.120 -0.000 0.000 0.244 381 V C 2.196 178.294 176.094 0.007 0.000 1.037 381 V CA 1.565 63.845 62.300 -0.034 0.000 1.029 381 V CB -0.624 31.194 31.823 -0.009 0.000 0.663 381 V HN 0.363 nan 8.190 nan 0.000 0.454 382 A N 0.188 123.035 122.820 0.044 0.000 1.933 382 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 382 A C 2.380 180.056 177.584 0.153 0.000 1.175 382 A CA 2.039 54.186 52.037 0.184 0.000 0.628 382 A CB -0.734 18.363 19.000 0.162 0.000 0.814 382 A HN 0.571 nan 8.150 nan 0.000 0.444 383 A N -0.255 122.535 122.820 -0.049 0.000 2.019 383 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 383 A C 1.991 179.574 177.584 -0.002 0.000 1.164 383 A CA 1.669 53.662 52.037 -0.074 0.000 0.644 383 A CB -0.359 18.384 19.000 -0.429 0.000 0.805 383 A HN 0.558 nan 8.150 nan 0.000 0.449 384 K N -0.434 119.948 120.400 -0.029 0.000 2.459 384 K HA 0.005 4.324 4.320 -0.000 0.000 0.193 384 K C 0.541 177.106 176.600 -0.058 0.000 1.030 384 K CA 1.000 57.270 56.287 -0.029 0.000 1.026 384 K CB 0.128 32.605 32.500 -0.037 0.000 0.809 384 K HN 0.636 nan 8.250 nan 0.000 0.504 385 E N -0.544 119.606 120.200 -0.084 0.000 2.641 385 E HA 0.135 4.485 4.350 -0.000 0.000 0.224 385 E C -0.679 175.529 176.600 -0.653 0.000 0.951 385 E CA -0.061 56.146 56.400 -0.321 0.000 1.102 385 E CB 0.639 30.115 29.700 -0.373 0.000 1.091 385 E HN 0.012 nan 8.360 nan 0.000 0.507 386 F N 0.879 120.848 119.950 0.031 0.000 2.561 386 F HA 0.214 4.741 4.527 -0.000 0.000 0.313 386 F C 1.296 177.136 175.800 0.067 0.000 1.126 386 F CA -0.912 57.118 58.000 0.051 0.000 0.918 386 F CB 1.928 40.966 39.000 0.063 0.000 1.199 386 F HN -0.206 nan 8.300 nan 0.000 0.444 387 E N 1.963 122.301 120.200 0.231 0.000 2.160 387 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 387 E C -0.179 176.539 176.600 0.196 0.000 0.991 387 E CA 1.274 57.774 56.400 0.167 0.000 0.810 387 E CB 0.317 30.092 29.700 0.124 0.000 0.742 387 E HN 0.472 nan 8.360 nan 0.000 0.466 388 K N 0.549 121.093 120.400 0.239 0.000 2.545 388 K HA 0.374 4.694 4.320 -0.000 0.000 0.252 388 K C -1.654 175.110 176.600 0.274 0.000 0.948 388 K CA -0.510 55.927 56.287 0.250 0.000 0.827 388 K CB 2.632 35.275 32.500 0.238 0.000 1.128 388 K HN -0.145 nan 8.250 nan 0.000 0.429 389 V N 2.176 122.261 119.914 0.285 0.000 2.540 389 V HA 0.569 4.689 4.120 -0.000 0.000 0.302 389 V C -0.593 175.596 176.094 0.158 0.000 1.035 389 V CA -0.805 61.632 62.300 0.229 0.000 0.873 389 V CB 1.724 33.699 31.823 0.254 0.000 0.992 389 V HN 0.876 nan 8.190 nan 0.000 0.428 390 A N 4.781 127.609 122.820 0.013 0.000 2.317 390 A HA 0.857 5.176 4.320 -0.000 0.000 0.327 390 A C -0.799 176.565 177.584 -0.366 0.000 1.178 390 A CA -0.500 51.306 52.037 -0.385 0.000 0.817 390 A CB 1.405 20.146 19.000 -0.430 0.000 1.189 390 A HN 0.664 nan 8.150 nan 0.000 0.489 391 V N 2.782 122.287 119.914 -0.682 0.000 2.448 391 V HA 0.335 4.454 4.120 -0.000 0.000 0.295 391 V C -1.291 174.407 176.094 -0.660 0.000 1.025 391 V CA -0.302 61.667 62.300 -0.551 0.000 0.859 391 V CB 0.987 32.333 31.823 -0.795 0.000 0.988 391 V HN 0.774 nan 8.190 nan 0.000 0.431 392 Y N 4.955 125.081 120.300 -0.290 0.000 2.342 392 Y HA 0.647 5.197 4.550 -0.000 0.000 0.338 392 Y C 0.182 176.012 175.900 -0.117 0.000 0.965 392 Y CA -0.404 57.575 58.100 -0.203 0.000 1.159 392 Y CB 1.677 40.049 38.460 -0.147 0.000 1.157 392 Y HN 0.589 nan 8.280 nan 0.000 0.486 393 M N 3.369 122.990 119.600 0.036 0.000 2.311 393 M HA 0.594 5.074 4.480 -0.000 0.000 0.325 393 M C -1.158 175.221 176.300 0.132 0.000 1.061 393 M CA -0.321 55.032 55.300 0.089 0.000 0.957 393 M CB 1.413 34.072 32.600 0.098 0.000 1.646 393 M HN 0.532 nan 8.290 nan 0.000 0.434 394 S N 2.781 118.591 115.700 0.183 0.000 2.594 394 S HA 0.617 5.087 4.470 -0.000 0.000 0.296 394 S C -1.493 173.294 174.600 0.311 0.000 1.124 394 S CA -0.504 57.846 58.200 0.251 0.000 1.011 394 S CB 1.682 65.049 63.200 0.277 0.000 1.016 394 S HN 0.748 nan 8.310 nan 0.000 0.485 395 S N 4.309 120.171 115.700 0.270 0.000 2.552 395 S HA 0.847 5.317 4.470 -0.000 0.000 0.314 395 S C -1.226 173.529 174.600 0.258 0.000 1.099 395 S CA -0.641 57.669 58.200 0.182 0.000 1.070 395 S CB 0.075 63.332 63.200 0.096 0.000 0.998 395 S HN 0.652 nan 8.310 nan 0.000 0.474 396 F N 0.426 120.461 119.950 0.141 0.000 2.631 396 F HA 0.581 5.108 4.527 -0.000 0.000 0.308 396 F C -0.247 175.630 175.800 0.128 0.000 1.097 396 F CA -1.022 57.045 58.000 0.113 0.000 0.952 396 F CB 0.639 39.695 39.000 0.092 0.000 1.307 396 F HN 0.212 nan 8.300 nan 0.000 0.450 397 T N 4.240 118.917 114.554 0.205 0.000 2.751 397 T HA 0.295 4.645 4.350 -0.000 0.000 0.290 397 T C -2.349 172.539 174.700 0.312 0.000 0.919 397 T CA -0.592 61.609 62.100 0.168 0.000 1.136 397 T CB 0.093 69.041 68.868 0.134 0.000 0.875 397 T HN 0.334 nan 8.240 nan 0.000 0.532 398 P HA 0.052 nan 4.420 nan 0.000 0.269 398 P C 1.033 178.438 177.300 0.176 0.000 1.217 398 P CA -0.591 62.699 63.100 0.317 0.000 0.783 398 P CB 0.508 32.352 31.700 0.239 0.000 0.898 399 L N 2.965 124.250 121.223 0.104 0.000 2.012 399 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 399 L C 2.153 179.058 176.870 0.057 0.000 1.073 399 L CA 2.028 56.908 54.840 0.066 0.000 0.748 399 L CB -1.448 40.624 42.059 0.022 0.000 0.891 399 L HN 0.458 nan 8.230 nan 0.000 0.431 400 M N -2.458 117.148 119.600 0.011 0.000 2.358 400 M HA -0.176 4.304 4.480 -0.000 0.000 0.264 400 M C 1.525 177.848 176.300 0.039 0.000 1.064 400 M CA 1.913 57.257 55.300 0.072 0.000 1.093 400 M CB -1.044 31.520 32.600 -0.061 0.000 1.401 400 M HN 0.288 nan 8.290 nan 0.000 0.440 401 H N 0.476 119.619 119.070 0.121 0.000 2.539 401 H HA 0.201 4.757 4.556 -0.000 0.000 0.267 401 H C 1.189 176.528 175.328 0.018 0.000 0.982 401 H CA -0.172 55.907 56.048 0.052 0.000 1.146 401 H CB -0.025 29.728 29.762 -0.015 0.000 1.382 401 H HN 0.497 nan 8.280 nan 0.000 0.577 402 N N 0.132 118.894 118.700 0.104 0.000 2.396 402 N HA -0.021 4.719 4.740 -0.000 0.000 0.180 402 N C 1.174 176.678 175.510 -0.010 0.000 1.028 402 N CA 0.995 54.075 53.050 0.049 0.000 0.893 402 N CB 0.657 39.169 38.487 0.040 0.000 0.967 402 N HN 0.467 nan 8.380 nan 0.000 0.440 403 I N -0.759 119.776 120.570 -0.059 0.000 4.624 403 I HA -0.049 4.121 4.170 -0.000 0.000 0.327 403 I C 1.717 177.684 176.117 -0.250 0.000 1.295 403 I CA 0.190 61.352 61.300 -0.231 0.000 1.267 403 I CB 0.262 38.014 38.000 -0.414 0.000 1.249 403 I HN -0.029 nan 8.210 nan 0.000 0.440 404 S N 0.594 116.284 115.700 -0.017 0.000 2.428 404 S HA 0.032 4.502 4.470 -0.000 0.000 0.230 404 S C 1.742 176.428 174.600 0.143 0.000 1.014 404 S CA 1.086 59.412 58.200 0.211 0.000 0.957 404 S CB 0.174 63.661 63.200 0.477 0.000 0.784 404 S HN 0.569 nan 8.310 nan 0.000 0.499 405 G N -0.121 108.729 108.800 0.083 0.000 2.179 405 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.220 405 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.220 405 G C 0.294 175.226 174.900 0.052 0.000 0.990 405 G CA 0.089 45.230 45.100 0.067 0.000 0.646 405 G HN 0.672 nan 8.290 nan 0.000 0.517 406 S N 0.425 116.110 115.700 -0.025 0.000 2.312 406 S HA 0.330 4.800 4.470 -0.000 0.000 0.211 406 S C 1.343 175.657 174.600 -0.476 0.000 1.315 406 S CA -0.279 57.688 58.200 -0.387 0.000 1.267 406 S CB 0.803 63.645 63.200 -0.596 0.000 1.072 406 S HN 0.426 nan 8.310 nan 0.000 0.490 407 K N 0.650 120.952 120.400 -0.163 0.000 2.211 407 K HA -0.168 4.152 4.320 -0.000 0.000 0.204 407 K C 1.590 178.131 176.600 -0.099 0.000 1.047 407 K CA 1.412 57.657 56.287 -0.070 0.000 0.935 407 K CB -0.213 32.302 32.500 0.024 0.000 0.728 407 K HN 0.788 nan 8.250 nan 0.000 0.452 408 Y N 0.246 120.516 120.300 -0.049 0.000 2.483 408 Y HA -0.048 4.502 4.550 -0.000 0.000 0.291 408 Y C 0.143 175.982 175.900 -0.102 0.000 1.143 408 Y CA 0.364 58.425 58.100 -0.065 0.000 1.289 408 Y CB -0.466 37.955 38.460 -0.065 0.000 0.983 408 Y HN -0.247 nan 8.280 nan 0.000 0.556 409 K N 3.130 123.201 120.400 -0.549 0.000 2.121 409 K HA 0.088 4.407 4.320 -0.000 0.000 0.235 409 K C -0.384 176.108 176.600 -0.180 0.000 1.200 409 K CA 0.217 56.258 56.287 -0.411 0.000 1.115 409 K CB 0.002 32.029 32.500 -0.788 0.000 1.474 409 K HN 0.349 nan 8.250 nan 0.000 0.295 410 K N 1.688 122.023 120.400 -0.109 0.000 2.249 410 K HA 0.155 4.474 4.320 -0.000 0.000 0.280 410 K C -0.336 176.156 176.600 -0.179 0.000 1.033 410 K CA -0.432 55.787 56.287 -0.114 0.000 0.946 410 K CB 0.679 33.136 32.500 -0.071 0.000 1.005 410 K HN 0.217 nan 8.250 nan 0.000 0.469 411 F N 2.762 122.399 119.950 -0.522 0.000 2.394 411 F HA 0.220 4.747 4.527 -0.000 0.000 0.340 411 F C -0.431 175.066 175.800 -0.505 0.000 1.105 411 F CA -0.651 56.995 58.000 -0.591 0.000 1.124 411 F CB 0.940 39.345 39.000 -0.992 0.000 1.145 411 F HN 0.073 nan 8.300 nan 0.000 0.505 412 V N 5.420 125.091 119.914 -0.405 0.000 2.448 412 V HA 0.721 4.840 4.120 -0.000 0.000 0.295 412 V C -0.373 175.724 176.094 0.005 0.000 1.025 412 V CA -0.785 61.449 62.300 -0.110 0.000 0.859 412 V CB 1.171 32.920 31.823 -0.123 0.000 0.988 412 V HN 0.916 nan 8.190 nan 0.000 0.431 413 A N 5.189 128.165 122.820 0.261 0.000 2.311 413 A HA 0.801 5.120 4.320 -0.000 0.000 0.306 413 A C -0.423 177.264 177.584 0.171 0.000 1.189 413 A CA -0.700 51.507 52.037 0.282 0.000 0.791 413 A CB 0.803 20.061 19.000 0.430 0.000 1.172 413 A HN 0.791 nan 8.150 nan 0.000 0.481 414 K N 2.295 122.763 120.400 0.115 0.000 2.397 414 K HA 0.675 4.994 4.320 -0.000 0.000 0.253 414 K C -1.350 175.265 176.600 0.025 0.000 0.932 414 K CA -0.308 56.038 56.287 0.098 0.000 0.795 414 K CB 2.364 34.954 32.500 0.150 0.000 1.159 414 K HN 0.671 nan 8.250 nan 0.000 0.424 415 I N 2.664 123.237 120.570 0.006 0.000 2.436 415 I HA 0.321 4.491 4.170 -0.000 0.000 0.289 415 I C -0.580 175.560 176.117 0.039 0.000 1.010 415 I CA -1.285 59.966 61.300 -0.082 0.000 1.098 415 I CB 1.937 39.795 38.000 -0.236 0.000 1.266 415 I HN 0.166 nan 8.210 nan 0.000 0.434 416 V N 4.660 124.579 119.914 0.009 0.000 2.435 416 V HA 0.544 4.664 4.120 -0.000 0.000 0.290 416 V C 0.270 176.376 176.094 0.019 0.000 1.030 416 V CA -0.338 61.990 62.300 0.046 0.000 0.881 416 V CB 1.797 33.670 31.823 0.084 0.000 0.983 416 V HN 0.910 nan 8.190 nan 0.000 0.445 417 T N 0.484 115.070 114.554 0.053 0.000 2.916 417 T HA 0.430 4.780 4.350 -0.000 0.000 0.292 417 T C -0.329 174.344 174.700 -0.044 0.000 1.064 417 T CA -0.873 61.239 62.100 0.020 0.000 1.011 417 T CB 1.679 70.633 68.868 0.143 0.000 1.152 417 T HN 0.421 nan 8.240 nan 0.000 0.510 418 N N 0.460 119.051 118.700 -0.182 0.000 2.402 418 N HA 0.074 4.814 4.740 -0.000 0.000 0.259 418 N C 0.745 176.260 175.510 0.009 0.000 1.167 418 N CA 0.000 52.911 53.050 -0.232 0.000 0.949 418 N CB 0.074 38.271 38.487 -0.484 0.000 1.212 418 N HN 0.838 nan 8.380 nan 0.000 0.493 419 H N 2.030 121.117 119.070 0.027 0.000 2.489 419 H HA -0.029 4.527 4.556 -0.000 0.000 0.295 419 H C 1.359 176.730 175.328 0.072 0.000 1.082 419 H CA 1.725 57.828 56.048 0.091 0.000 1.295 419 H CB 0.444 30.308 29.762 0.172 0.000 1.380 419 H HN 0.492 nan 8.280 nan 0.000 0.548 420 S N -0.346 115.368 115.700 0.023 0.000 2.368 420 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 420 S C 1.209 175.769 174.600 -0.067 0.000 1.030 420 S CA 1.527 59.715 58.200 -0.020 0.000 0.999 420 S CB -0.006 63.225 63.200 0.051 0.000 0.844 420 S HN 0.851 nan 8.310 nan 0.000 0.459 421 D N -2.056 118.313 120.400 -0.053 0.000 2.538 421 D HA 0.255 4.894 4.640 -0.000 0.000 0.241 421 D C 0.962 177.241 176.300 -0.034 0.000 1.297 421 D CA 0.633 54.608 54.000 -0.041 0.000 0.804 421 D CB -0.300 40.492 40.800 -0.013 0.000 1.122 421 D HN 0.333 nan 8.370 nan 0.000 0.519 422 G N 0.419 109.202 108.800 -0.028 0.000 2.184 422 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.264 422 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.264 422 G C 0.478 175.382 174.900 0.007 0.000 0.975 422 G CA 0.481 45.590 45.100 0.015 0.000 0.642 422 G HN 0.444 nan 8.290 nan 0.000 0.536 423 T N 1.542 116.078 114.554 -0.030 0.000 2.871 423 T HA 0.349 4.699 4.350 -0.000 0.000 0.296 423 T C 0.952 175.622 174.700 -0.051 0.000 0.998 423 T CA 0.198 62.275 62.100 -0.038 0.000 1.162 423 T CB 1.603 70.430 68.868 -0.068 0.000 0.947 423 T HN 0.530 nan 8.240 nan 0.000 0.536 424 V N 6.361 126.270 119.914 -0.008 0.000 2.450 424 V HA 0.043 4.163 4.120 -0.000 0.000 0.281 424 V C 1.339 177.404 176.094 -0.047 0.000 1.019 424 V CA 0.332 62.613 62.300 -0.033 0.000 1.062 424 V CB 0.150 31.973 31.823 0.000 0.000 0.979 424 V HN 0.837 nan 8.190 nan 0.000 0.477 425 L N 3.942 125.122 121.223 -0.071 0.000 2.408 425 L HA 0.459 4.799 4.340 -0.000 0.000 0.215 425 L C 1.060 177.919 176.870 -0.019 0.000 1.081 425 L CA 0.748 55.556 54.840 -0.052 0.000 0.840 425 L CB 0.292 42.300 42.059 -0.086 0.000 1.002 425 L HN 0.794 nan 8.230 nan 0.000 0.468 426 G N -0.520 108.244 108.800 -0.060 0.000 2.732 426 G HA2 0.529 4.488 3.960 -0.000 0.000 0.296 426 G HA3 0.529 4.488 3.960 -0.000 0.000 0.296 426 G C -1.904 172.772 174.900 -0.374 0.000 1.448 426 G CA -0.287 44.719 45.100 -0.157 0.000 0.911 426 G HN -0.281 nan 8.290 nan 0.000 0.528 427 V N 2.633 122.195 119.914 -0.587 0.000 2.588 427 V HA 0.611 4.731 4.120 -0.000 0.000 0.304 427 V C -0.979 174.647 176.094 -0.779 0.000 1.042 427 V CA -0.910 61.061 62.300 -0.548 0.000 0.877 427 V CB 1.815 33.465 31.823 -0.288 0.000 0.996 427 V HN 0.792 nan 8.190 nan 0.000 0.425 428 H N 5.342 124.406 119.070 -0.011 0.000 2.689 428 H HA 0.683 5.239 4.556 -0.000 0.000 0.346 428 H C -1.130 174.186 175.328 -0.021 0.000 1.037 428 H CA -0.528 55.517 56.048 -0.004 0.000 1.234 428 H CB 2.210 31.975 29.762 0.005 0.000 1.572 428 H HN 0.433 nan 8.280 nan 0.000 0.524 429 L N 3.420 124.659 121.223 0.027 0.000 2.408 429 L HA 0.433 4.773 4.340 -0.000 0.000 0.268 429 L C -0.880 175.818 176.870 -0.287 0.000 0.986 429 L CA -0.958 53.811 54.840 -0.119 0.000 0.820 429 L CB 2.709 44.749 42.059 -0.031 0.000 1.303 429 L HN 0.244 nan 8.230 nan 0.000 0.411 430 L N 2.188 123.074 121.223 -0.562 0.000 2.385 430 L HA 1.023 5.363 4.340 -0.000 0.000 0.273 430 L C -0.206 176.078 176.870 -0.978 0.000 0.990 430 L CA 0.314 54.816 54.840 -0.562 0.000 0.821 430 L CB 1.863 43.704 42.059 -0.363 0.000 1.279 430 L HN 0.745 nan 8.230 nan 0.000 0.412 431 G N 2.652 111.089 108.800 -0.605 0.000 2.326 431 G HA2 0.060 4.019 3.960 -0.000 0.000 0.413 431 G HA3 0.060 4.019 3.960 -0.000 0.000 0.413 431 G C -1.771 173.148 174.900 0.031 0.000 1.444 431 G CA -0.960 43.945 45.100 -0.325 0.000 1.002 431 G HN 0.625 nan 8.290 nan 0.000 0.649 432 D N 0.186 120.687 120.400 0.170 0.000 2.533 432 D HA 0.396 5.036 4.640 -0.000 0.000 0.236 432 D C 1.562 178.009 176.300 0.244 0.000 1.137 432 D CA 2.294 56.393 54.000 0.164 0.000 0.867 432 D CB 0.938 41.837 40.800 0.165 0.000 1.170 432 D HN 1.915 nan 8.370 nan 0.000 0.474 433 G N 1.755 110.653 108.800 0.164 0.000 2.253 433 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.251 433 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.251 433 G C 1.284 176.283 174.900 0.166 0.000 0.998 433 G CA 0.852 46.049 45.100 0.163 0.000 0.621 433 G HN 0.731 nan 8.290 nan 0.000 0.524 434 A N 1.497 124.417 122.820 0.166 0.000 1.903 434 A HA 0.044 4.364 4.320 -0.000 0.000 0.219 434 A C 0.634 178.234 177.584 0.027 0.000 1.191 434 A CA 2.869 54.961 52.037 0.092 0.000 0.638 434 A CB -1.296 17.656 19.000 -0.080 0.000 0.823 434 A HN 0.498 nan 8.150 nan 0.000 0.451 435 P HA -0.113 nan 4.420 nan 0.000 0.217 435 P C 1.255 178.584 177.300 0.048 0.000 1.150 435 P CA 1.149 64.213 63.100 -0.059 0.000 0.832 435 P CB -0.032 31.573 31.700 -0.158 0.000 0.787 436 E N -0.444 119.806 120.200 0.083 0.000 2.072 436 E HA -0.116 4.233 4.350 -0.000 0.000 0.191 436 E C 2.129 178.777 176.600 0.079 0.000 0.985 436 E CA 0.996 57.448 56.400 0.087 0.000 0.801 436 E CB -0.816 28.936 29.700 0.086 0.000 0.750 436 E HN 0.326 nan 8.360 nan 0.000 0.452 437 I N 0.603 121.229 120.570 0.094 0.000 2.315 437 I HA -0.231 3.938 4.170 -0.000 0.000 0.248 437 I C 2.348 178.521 176.117 0.093 0.000 1.117 437 I CA 0.592 61.954 61.300 0.103 0.000 1.404 437 I CB -0.067 38.025 38.000 0.154 0.000 1.071 437 I HN 0.015 nan 8.210 nan 0.000 0.419 438 I N 0.430 121.048 120.570 0.080 0.000 3.111 438 I HA -0.215 3.954 4.170 -0.000 0.000 0.272 438 I C 2.267 178.420 176.117 0.061 0.000 1.268 438 I CA 0.991 62.330 61.300 0.065 0.000 1.467 438 I CB -0.234 37.791 38.000 0.040 0.000 1.087 438 I HN 0.199 nan 8.210 nan 0.000 0.467 439 Q N 1.096 120.932 119.800 0.061 0.000 2.046 439 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 439 Q C 2.182 178.210 176.000 0.047 0.000 0.975 439 Q CA 2.305 58.140 55.803 0.054 0.000 0.836 439 Q CB -0.426 28.344 28.738 0.054 0.000 0.896 439 Q HN 0.495 nan 8.270 nan 0.000 0.428 440 A N -0.555 122.294 122.820 0.048 0.000 2.014 440 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 440 A C 2.192 179.807 177.584 0.052 0.000 1.163 440 A CA 1.139 53.198 52.037 0.036 0.000 0.652 440 A CB -0.483 18.532 19.000 0.025 0.000 0.808 440 A HN 0.270 nan 8.150 nan 0.000 0.449 441 V N 0.036 120.003 119.914 0.088 0.000 2.490 441 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 441 V C 2.783 178.934 176.094 0.095 0.000 1.061 441 V CA 1.779 64.163 62.300 0.141 0.000 1.064 441 V CB -1.370 30.540 31.823 0.145 0.000 0.670 441 V HN 0.598 nan 8.190 nan 0.000 0.461 442 G N 0.133 108.969 108.800 0.060 0.000 2.440 442 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 442 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 442 G C 1.634 176.555 174.900 0.035 0.000 1.154 442 G CA 1.371 46.497 45.100 0.042 0.000 0.767 442 G HN 0.419 nan 8.290 nan 0.000 0.552 443 V N 0.517 120.448 119.914 0.028 0.000 2.343 443 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 443 V C 3.062 179.160 176.094 0.007 0.000 1.051 443 V CA 1.706 64.013 62.300 0.012 0.000 1.036 443 V CB -0.924 30.899 31.823 -0.000 0.000 0.654 443 V HN 0.506 nan 8.190 nan 0.000 0.451 444 C N -0.146 119.161 119.300 0.011 0.000 2.393 444 C HA -0.182 4.277 4.460 -0.000 0.000 0.276 444 C C 2.628 177.645 174.990 0.046 0.000 1.215 444 C CA 1.032 60.049 59.018 -0.002 0.000 1.743 444 C CB -1.203 26.548 27.740 0.019 0.000 2.044 444 C HN 0.490 nan 8.230 nan 0.000 0.464 445 L N 0.482 121.752 121.223 0.077 0.000 2.083 445 L HA -0.064 4.275 4.340 -0.000 0.000 0.209 445 L C 2.584 179.476 176.870 0.037 0.000 1.083 445 L CA 1.539 56.417 54.840 0.064 0.000 0.752 445 L CB -0.902 41.189 42.059 0.054 0.000 0.899 445 L HN 0.206 nan 8.230 nan 0.000 0.433 446 R N -0.188 120.328 120.500 0.027 0.000 2.139 446 R HA -0.112 4.228 4.340 -0.000 0.000 0.243 446 R C 1.623 177.931 176.300 0.013 0.000 1.145 446 R CA 1.293 57.403 56.100 0.017 0.000 0.976 446 R CB -0.404 29.902 30.300 0.010 0.000 0.866 446 R HN 0.308 nan 8.270 nan 0.000 0.449 447 L N 0.826 122.054 121.223 0.008 0.000 2.653 447 L HA 0.130 4.469 4.340 -0.000 0.000 0.232 447 L C -0.217 176.657 176.870 0.005 0.000 1.169 447 L CA -0.156 54.684 54.840 -0.000 0.000 0.951 447 L CB -0.136 41.913 42.059 -0.018 0.000 1.181 447 L HN 0.291 nan 8.230 nan 0.000 0.460 448 N N 0.302 119.014 118.700 0.019 0.000 2.721 448 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 448 N C 0.478 176.004 175.510 0.026 0.000 1.072 448 N CA 0.880 53.945 53.050 0.024 0.000 0.710 448 N CB -1.053 37.446 38.487 0.020 0.000 0.993 448 N HN 0.420 nan 8.380 nan 0.000 0.547 449 A N 0.170 123.012 122.820 0.038 0.000 2.587 449 A HA 0.139 4.459 4.320 -0.000 0.000 0.233 449 A C 0.827 178.472 177.584 0.102 0.000 1.049 449 A CA 0.631 52.699 52.037 0.052 0.000 0.754 449 A CB 0.459 19.511 19.000 0.087 0.000 0.977 449 A HN 0.324 nan 8.150 nan 0.000 0.509 450 K N 0.984 121.439 120.400 0.092 0.000 2.211 450 K HA 0.425 4.744 4.320 -0.000 0.000 0.237 450 K C 1.001 177.696 176.600 0.159 0.000 1.002 450 K CA -0.840 55.502 56.287 0.092 0.000 0.885 450 K CB 1.172 33.699 32.500 0.045 0.000 1.136 450 K HN 0.522 nan 8.250 nan 0.000 0.448 451 I N 1.454 122.065 120.570 0.069 0.000 2.286 451 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 451 I C 2.169 178.336 176.117 0.084 0.000 1.115 451 I CA 1.888 63.182 61.300 -0.011 0.000 1.392 451 I CB -0.364 37.481 38.000 -0.257 0.000 1.065 451 I HN 0.774 nan 8.210 nan 0.000 0.418 452 S N -0.068 115.679 115.700 0.079 0.000 2.400 452 S HA -0.237 4.233 4.470 -0.000 0.000 0.232 452 S C 1.803 176.464 174.600 0.102 0.000 1.025 452 S CA 1.615 59.882 58.200 0.111 0.000 0.993 452 S CB -0.828 62.417 63.200 0.076 0.000 0.808 452 S HN 0.563 nan 8.310 nan 0.000 0.478 453 D N 0.462 120.901 120.400 0.064 0.000 2.144 453 D HA -0.011 4.628 4.640 -0.000 0.000 0.200 453 D C 1.533 177.768 176.300 -0.110 0.000 0.978 453 D CA 1.017 54.992 54.000 -0.042 0.000 0.833 453 D CB -0.379 40.355 40.800 -0.109 0.000 0.961 453 D HN 0.488 nan 8.370 nan 0.000 0.470 454 F N 0.155 120.089 119.950 -0.027 0.000 2.084 454 F HA -0.168 4.359 4.527 -0.000 0.000 0.296 454 F C 2.405 178.192 175.800 -0.023 0.000 1.111 454 F CA 0.804 58.784 58.000 -0.033 0.000 1.224 454 F CB -0.687 38.283 39.000 -0.050 0.000 0.991 454 F HN -0.055 nan 8.300 nan 0.000 0.471 455 Y N 1.174 121.533 120.300 0.097 0.000 2.274 455 Y HA -0.204 4.346 4.550 -0.000 0.000 0.290 455 Y C 2.071 177.974 175.900 0.004 0.000 1.145 455 Y CA 1.442 59.556 58.100 0.024 0.000 1.203 455 Y CB -0.596 37.857 38.460 -0.011 0.000 0.984 455 Y HN -0.028 nan 8.280 nan 0.000 0.533 456 N N -0.632 118.012 118.700 -0.093 0.000 2.354 456 N HA -0.062 4.677 4.740 -0.000 0.000 0.179 456 N C 0.238 175.644 175.510 -0.172 0.000 1.021 456 N CA 1.060 54.020 53.050 -0.149 0.000 0.887 456 N CB -0.578 37.882 38.487 -0.046 0.000 0.974 456 N HN 0.138 nan 8.380 nan 0.000 0.437 457 T N 2.544 117.008 114.554 -0.149 0.000 2.829 457 T HA 0.105 4.455 4.350 -0.000 0.000 0.293 457 T C 0.917 175.525 174.700 -0.153 0.000 0.970 457 T CA -0.058 61.959 62.100 -0.139 0.000 1.168 457 T CB 0.401 69.187 68.868 -0.136 0.000 0.911 457 T HN 0.035 nan 8.240 nan 0.000 0.535 458 I N 2.860 123.351 120.570 -0.131 0.000 2.648 458 I HA 0.164 4.334 4.170 -0.000 0.000 0.284 458 I C 1.479 177.539 176.117 -0.094 0.000 1.153 458 I CA -0.186 61.040 61.300 -0.124 0.000 1.426 458 I CB 0.283 38.224 38.000 -0.097 0.000 1.381 458 I HN 0.642 nan 8.210 nan 0.000 0.571 459 G N 5.387 114.131 108.800 -0.094 0.000 2.503 459 G HA2 0.411 4.371 3.960 -0.000 0.000 0.257 459 G HA3 0.411 4.371 3.960 -0.000 0.000 0.257 459 G C -0.426 174.460 174.900 -0.023 0.000 1.214 459 G CA -0.422 44.644 45.100 -0.057 0.000 0.839 459 G HN 0.400 nan 8.290 nan 0.000 0.559 460 V N 1.789 121.701 119.914 -0.003 0.000 2.407 460 V HA 0.375 4.494 4.120 -0.000 0.000 0.278 460 V C -0.218 175.912 176.094 0.060 0.000 1.037 460 V CA -0.468 61.842 62.300 0.017 0.000 0.900 460 V CB 0.938 32.759 31.823 -0.003 0.000 0.983 460 V HN 0.895 nan 8.190 nan 0.000 0.459 461 H N 5.273 124.310 119.070 -0.054 0.000 2.771 461 H HA 0.717 5.273 4.556 -0.000 0.000 0.361 461 H C -2.665 172.636 175.328 -0.044 0.000 1.108 461 H CA -1.664 54.350 56.048 -0.058 0.000 1.201 461 H CB 2.164 31.891 29.762 -0.058 0.000 1.681 461 H HN 0.553 nan 8.280 nan 0.000 0.534 462 P HA 0.289 nan 4.420 nan 0.000 0.287 462 P C -1.101 176.075 177.300 -0.206 0.000 1.281 462 P CA -0.564 62.197 63.100 -0.566 0.000 0.781 462 P CB 1.259 32.598 31.700 -0.602 0.000 0.903 463 T N -2.036 112.445 114.554 -0.120 0.000 2.887 463 T HA 0.373 4.723 4.350 -0.000 0.000 0.292 463 T C 0.908 175.526 174.700 -0.136 0.000 1.087 463 T CA -0.582 61.459 62.100 -0.099 0.000 1.009 463 T CB 1.279 70.108 68.868 -0.064 0.000 1.203 463 T HN 0.006 nan 8.240 nan 0.000 0.518 464 S N 0.302 115.901 115.700 -0.168 0.000 2.371 464 S HA 0.030 4.500 4.470 -0.000 0.000 0.224 464 S C 2.517 176.956 174.600 -0.268 0.000 1.029 464 S CA 1.046 59.049 58.200 -0.328 0.000 0.978 464 S CB -0.938 61.775 63.200 -0.813 0.000 0.833 464 S HN 0.916 nan 8.310 nan 0.000 0.466 465 A N 2.325 125.064 122.820 -0.136 0.000 1.958 465 A HA -0.259 4.060 4.320 -0.000 0.000 0.221 465 A C 1.983 179.563 177.584 -0.007 0.000 1.178 465 A CA 1.984 54.010 52.037 -0.018 0.000 0.642 465 A CB -0.835 18.178 19.000 0.022 0.000 0.816 465 A HN 0.791 nan 8.150 nan 0.000 0.453 466 E N -0.651 119.522 120.200 -0.045 0.000 2.267 466 E HA -0.236 4.114 4.350 -0.000 0.000 0.197 466 E C 1.343 177.915 176.600 -0.046 0.000 0.998 466 E CA 1.113 57.492 56.400 -0.035 0.000 0.830 466 E CB -0.330 29.350 29.700 -0.034 0.000 0.751 466 E HN 0.519 nan 8.360 nan 0.000 0.491 467 E N 1.115 121.255 120.200 -0.099 0.000 2.171 467 E HA -0.156 4.193 4.350 -0.000 0.000 0.197 467 E C 2.118 178.744 176.600 0.044 0.000 0.997 467 E CA 0.819 57.181 56.400 -0.063 0.000 0.810 467 E CB -0.209 29.464 29.700 -0.045 0.000 0.738 467 E HN 0.485 nan 8.360 nan 0.000 0.467 468 L N -0.647 120.619 121.223 0.070 0.000 2.275 468 L HA -0.132 4.208 4.340 -0.000 0.000 0.215 468 L C 1.730 178.669 176.870 0.114 0.000 1.119 468 L CA 0.513 55.393 54.840 0.067 0.000 0.790 468 L CB -0.002 42.122 42.059 0.109 0.000 0.919 468 L HN 0.114 nan 8.230 nan 0.000 0.443 469 C N -1.587 117.783 119.300 0.117 0.000 2.884 469 C HA 0.199 4.659 4.460 -0.000 0.000 0.287 469 C C 1.846 176.874 174.990 0.062 0.000 1.310 469 C CA -0.179 58.904 59.018 0.107 0.000 1.725 469 C CB -0.486 27.277 27.740 0.038 0.000 2.060 469 C HN 0.303 nan 8.230 nan 0.000 0.618 470 S N 0.228 116.012 115.700 0.140 0.000 2.730 470 S HA 0.354 4.823 4.470 -0.000 0.000 0.244 470 S C 0.167 174.951 174.600 0.307 0.000 1.022 470 S CA -0.011 58.309 58.200 0.200 0.000 1.014 470 S CB 0.047 63.285 63.200 0.063 0.000 0.963 470 S HN 0.521 nan 8.310 nan 0.000 0.540 471 M N 2.362 122.124 119.600 0.271 0.000 2.078 471 M HA 0.396 4.876 4.480 -0.000 0.000 0.320 471 M C 0.817 177.067 176.300 -0.083 0.000 0.969 471 M CA -0.252 55.109 55.300 0.101 0.000 0.929 471 M CB 1.587 34.233 32.600 0.076 0.000 1.504 471 M HN 0.154 nan 8.290 nan 0.000 0.419 472 R N 0.264 120.642 120.500 -0.204 0.000 2.453 472 R HA 0.267 4.607 4.340 -0.000 0.000 0.233 472 R C -0.589 175.730 176.300 0.032 0.000 0.895 472 R CA 0.027 55.875 56.100 -0.419 0.000 1.028 472 R CB 0.626 30.188 30.300 -1.230 0.000 1.255 472 R HN 0.432 nan 8.270 nan 0.000 0.571 473 T N 3.837 118.456 114.554 0.108 0.000 2.791 473 T HA 0.408 4.758 4.350 -0.000 0.000 0.288 473 T C -2.722 171.905 174.700 -0.121 0.000 0.999 473 T CA -1.560 60.571 62.100 0.052 0.000 0.952 473 T CB 2.103 70.965 68.868 -0.010 0.000 0.938 473 T HN -0.023 nan 8.240 nan 0.000 0.444 474 P HA 0.052 nan 4.420 nan 0.000 0.264 474 P C 0.451 177.383 177.300 -0.615 0.000 1.173 474 P CA 0.219 62.651 63.100 -1.115 0.000 0.761 474 P CB 0.488 31.394 31.700 -1.323 0.000 0.794 475 S N 1.311 116.671 115.700 -0.566 0.000 2.425 475 S HA 0.050 4.520 4.470 -0.000 0.000 0.225 475 S C 0.329 174.829 174.600 -0.166 0.000 1.024 475 S CA 0.859 58.908 58.200 -0.252 0.000 0.951 475 S CB -0.503 62.645 63.200 -0.088 0.000 0.796 475 S HN 0.686 nan 8.310 nan 0.000 0.498 476 Y N -2.060 117.939 120.300 -0.501 0.000 2.871 476 Y HA 0.714 5.264 4.550 -0.000 0.000 0.331 476 Y C -1.589 173.862 175.900 -0.747 0.000 1.378 476 Y CA -2.291 55.540 58.100 -0.448 0.000 1.079 476 Y CB 0.541 38.847 38.460 -0.257 0.000 1.441 476 Y HN -0.063 nan 8.280 nan 0.000 0.446 477 Y N -0.935 119.303 120.300 -0.103 0.000 2.609 477 Y HA 0.657 5.207 4.550 -0.001 0.000 0.342 477 Y C -1.599 174.158 175.900 -0.238 0.000 1.058 477 Y CA -1.430 56.568 58.100 -0.170 0.000 1.055 477 Y CB 2.188 40.551 38.460 -0.161 0.000 1.292 477 Y HN 0.552 nan 8.280 nan 0.000 0.476 478 Y N 0.640 121.067 120.300 0.213 0.000 2.331 478 Y HA 0.606 5.156 4.550 -0.000 0.000 0.334 478 Y C -0.712 175.277 175.900 0.149 0.000 0.960 478 Y CA -1.018 57.181 58.100 0.165 0.000 1.130 478 Y CB 1.823 40.365 38.460 0.138 0.000 1.164 478 Y HN 0.243 nan 8.280 nan 0.000 0.458 479 V N 4.604 124.649 119.914 0.218 0.000 2.448 479 V HA 0.236 4.356 4.120 -0.000 0.000 0.295 479 V C 0.185 176.363 176.094 0.141 0.000 1.025 479 V CA -1.500 60.891 62.300 0.150 0.000 0.859 479 V CB 1.566 33.430 31.823 0.069 0.000 0.988 479 V HN 0.741 nan 8.190 nan 0.000 0.431 480 K N 4.081 124.560 120.400 0.130 0.000 3.139 480 K HA -0.288 4.032 4.320 -0.000 0.000 0.261 480 K C 1.112 177.782 176.600 0.118 0.000 0.895 480 K CA 0.895 57.247 56.287 0.107 0.000 0.664 480 K CB -1.176 31.367 32.500 0.072 0.000 1.388 480 K HN 1.491 nan 8.250 nan 0.000 0.472 481 G N -0.079 108.825 108.800 0.174 0.000 2.176 481 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.232 481 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.232 481 G C -0.236 174.826 174.900 0.270 0.000 0.986 481 G CA 0.310 45.516 45.100 0.178 0.000 0.643 481 G HN 0.470 nan 8.290 nan 0.000 0.522 482 E N 0.646 120.999 120.200 0.255 0.000 2.151 482 E HA 0.483 4.833 4.350 -0.000 0.000 0.275 482 E C 0.060 176.732 176.600 0.119 0.000 0.936 482 E CA -0.782 55.727 56.400 0.182 0.000 0.777 482 E CB 0.635 30.391 29.700 0.093 0.000 1.108 482 E HN 0.226 nan 8.360 nan 0.000 0.401 483 K N 5.687 126.092 120.400 0.008 0.000 2.339 483 K HA 0.215 4.535 4.320 -0.000 0.000 0.286 483 K C -0.498 175.999 176.600 -0.171 0.000 1.050 483 K CA 0.010 56.099 56.287 -0.329 0.000 0.956 483 K CB 0.353 32.655 32.500 -0.331 0.000 0.990 483 K HN 0.529 nan 8.250 nan 0.000 0.475 484 M N 2.026 121.544 119.600 -0.137 0.000 2.322 484 M HA 0.201 4.680 4.480 -0.000 0.000 0.285 484 M C 0.132 176.468 176.300 0.060 0.000 1.119 484 M CA -0.784 54.492 55.300 -0.039 0.000 0.953 484 M CB 1.912 34.502 32.600 -0.015 0.000 1.701 484 M HN 0.618 nan 8.290 nan 0.000 0.479 485 E N 2.373 122.594 120.200 0.036 0.000 2.097 485 E HA -0.087 4.263 4.350 -0.000 0.000 0.196 485 E C -0.309 176.413 176.600 0.204 0.000 1.000 485 E CA 1.643 58.101 56.400 0.097 0.000 0.804 485 E CB 0.464 30.182 29.700 0.030 0.000 0.740 485 E HN 0.676 nan 8.360 nan 0.000 0.454 486 K N 0.003 120.466 120.400 0.105 0.000 2.375 486 K HA 0.393 4.712 4.320 -0.000 0.000 0.249 486 K C -0.885 175.601 176.600 -0.191 0.000 0.942 486 K CA -0.624 55.670 56.287 0.012 0.000 0.806 486 K CB 2.079 34.574 32.500 -0.008 0.000 1.227 486 K HN -0.034 nan 8.250 nan 0.000 0.430 487 L N 4.088 125.017 121.223 -0.491 0.000 2.453 487 L HA 0.207 4.547 4.340 -0.000 0.000 0.272 487 L C -1.487 175.255 176.870 -0.214 0.000 1.182 487 L CA -1.293 53.262 54.840 -0.475 0.000 0.858 487 L CB 0.011 41.715 42.059 -0.592 0.000 1.120 487 L HN 0.596 nan 8.230 nan 0.000 0.474 488 P HA 0.000 nan 4.420 nan 0.000 0.216 488 P CA 0.000 63.051 63.100 -0.081 0.000 0.800 488 P CB 0.000 31.668 31.700 -0.053 0.000 0.726