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 3ii4_1_B DATA FIRST_RESID 1 DATA SEQUENCE MTHYDVVVLG AGPGGYVAAI RAAQLGLSTA IVEPKYWGGV cLNVGcIPSK DATA SEQUENCE ALLRNAELVH IFTKDAKAFG ISGEVTFDYG IAYDRSRKVA EGRVAGVHFL DATA SEQUENCE MKKNKITEIH GYGTFADANT LLVDLNDGGT ESVTFDNAII ATGSSTRLVP DATA SEQUENCE GTSLSANVVT YEEQILSREL PKSIIIAGAG AIGMEFGYVL KNYGVDVTIV DATA SEQUENCE EFLPRALPNE DADVSKEIEK QFKKLGVTIL TATKVESIAD GGSQVTVTVT DATA SEQUENCE KDGVAQELKA EKVLQAIGFA PNVEGYGLDK AGVALTDRKA IGVDDYMRTN DATA SEQUENCE VGHIYAIGDV NGLLQLAHVA EAQGVVAAET IAGAETLTLG DHRMLPRATF DATA SEQUENCE CQPNVASFGL TEQQARNEGY DVVVAKFPFT ANAKAHGVGD PSGFVKLVAD DATA SEQUENCE AKHGELLGGH LVGHDVAELL PELTLAQRWD LTASELARNV HTHPTMSEAL DATA SEQUENCE QECFHGLVGH MINF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.345 176.300 0.075 0.000 1.140 1 M CA 0.000 55.343 55.300 0.072 0.000 0.988 1 M CB 0.000 32.645 32.600 0.076 0.000 1.302 2 T N -0.972 113.635 114.554 0.088 0.000 2.926 2 T HA 0.328 4.681 4.350 0.005 0.000 0.307 2 T C -0.530 174.197 174.700 0.045 0.000 1.059 2 T CA 0.149 62.257 62.100 0.013 0.000 1.122 2 T CB 0.804 69.692 68.868 0.033 0.000 0.972 2 T HN 0.677 nan 8.240 nan 0.000 0.545 3 H N 1.269 120.196 119.070 -0.238 0.000 2.609 3 H HA 0.529 5.088 4.556 0.005 0.000 0.344 3 H C -1.804 173.355 175.328 -0.282 0.000 1.040 3 H CA -0.962 55.018 56.048 -0.114 0.000 1.216 3 H CB 0.763 30.490 29.762 -0.059 0.000 1.529 3 H HN 0.692 nan 8.280 nan 0.000 0.519 4 Y N 2.752 122.809 120.300 -0.405 0.000 2.485 4 Y HA 0.185 4.738 4.550 0.005 0.000 0.345 4 Y C 1.010 176.708 175.900 -0.337 0.000 0.998 4 Y CA -0.970 56.981 58.100 -0.249 0.000 1.059 4 Y CB 1.426 39.841 38.460 -0.076 0.000 1.234 4 Y HN 0.660 nan 8.280 nan 0.000 0.461 5 D N 0.699 121.100 120.400 0.002 0.000 2.116 5 D HA -0.079 4.564 4.640 0.005 0.000 0.193 5 D C -0.023 176.329 176.300 0.087 0.000 0.998 5 D CA 1.664 55.686 54.000 0.038 0.000 0.836 5 D CB 0.182 41.022 40.800 0.066 0.000 0.951 5 D HN 0.165 nan 8.370 nan 0.000 0.449 6 V N -0.007 119.959 119.914 0.087 0.000 2.823 6 V HA 0.478 4.601 4.120 0.005 0.000 0.312 6 V C -0.320 175.759 176.094 -0.025 0.000 1.072 6 V CA -0.789 61.537 62.300 0.043 0.000 0.937 6 V CB 3.024 34.840 31.823 -0.012 0.000 1.013 6 V HN -0.245 nan 8.190 nan 0.000 0.430 7 V N 3.617 123.453 119.914 -0.130 0.000 2.623 7 V HA 0.525 4.648 4.120 0.005 0.000 0.304 7 V C -0.617 175.307 176.094 -0.284 0.000 1.054 7 V CA -0.646 61.498 62.300 -0.260 0.000 0.882 7 V CB 2.090 33.713 31.823 -0.334 0.000 1.002 7 V HN 0.666 nan 8.190 nan 0.000 0.424 8 V N 6.587 126.350 119.914 -0.251 0.000 2.581 8 V HA 0.718 4.841 4.120 0.005 0.000 0.303 8 V C -1.072 174.859 176.094 -0.272 0.000 1.041 8 V CA -0.628 61.538 62.300 -0.223 0.000 0.907 8 V CB 1.744 33.468 31.823 -0.165 0.000 0.994 8 V HN 0.735 nan 8.190 nan 0.000 0.442 9 L N 6.904 127.964 121.223 -0.272 0.000 2.276 9 L HA 0.941 5.284 4.340 0.005 0.000 0.286 9 L C 0.196 176.876 176.870 -0.316 0.000 1.024 9 L CA 1.104 55.737 54.840 -0.345 0.000 0.826 9 L CB 0.655 42.478 42.059 -0.394 0.000 1.211 9 L HN 1.285 nan 8.230 nan 0.000 0.422 10 G N 3.686 112.275 108.800 -0.353 0.000 3.067 10 G HA2 0.218 4.181 3.960 0.005 0.000 0.686 10 G HA3 0.218 4.181 3.960 0.005 0.000 0.686 10 G C -0.178 174.538 174.900 -0.306 0.000 1.119 10 G CA -0.361 44.547 45.100 -0.319 0.000 0.790 10 G HN 1.148 nan 8.290 nan 0.000 0.605 11 A N 1.660 124.250 122.820 -0.383 0.000 2.577 11 A HA 0.746 5.069 4.320 0.005 0.000 0.280 11 A C 1.520 179.072 177.584 -0.054 0.000 1.331 11 A CA 1.216 53.063 52.037 -0.317 0.000 0.935 11 A CB -0.265 18.254 19.000 -0.801 0.000 1.082 11 A HN 2.171 nan 8.150 nan 0.000 0.525 12 G N -0.029 108.743 108.800 -0.047 0.000 2.570 12 G HA2 0.365 4.328 3.960 0.005 0.000 0.276 12 G HA3 0.365 4.328 3.960 0.005 0.000 0.276 12 G C -1.261 173.671 174.900 0.053 0.000 1.346 12 G CA -0.885 44.231 45.100 0.026 0.000 1.034 12 G HN 0.115 nan 8.290 nan 0.000 0.512 13 P HA -0.103 nan 4.420 nan 0.000 0.216 13 P C 1.909 178.964 177.300 -0.409 0.000 1.150 13 P CA 1.921 64.888 63.100 -0.221 0.000 0.843 13 P CB 0.061 31.701 31.700 -0.099 0.000 0.787 14 G N -0.849 107.814 108.800 -0.227 0.000 2.395 14 G HA2 -0.111 3.852 3.960 0.005 0.000 0.214 14 G HA3 -0.111 3.852 3.960 0.005 0.000 0.214 14 G C 1.757 176.533 174.900 -0.207 0.000 1.177 14 G CA 0.774 45.752 45.100 -0.203 0.000 0.794 14 G HN 0.332 nan 8.290 nan 0.000 0.532 15 G N 0.688 109.391 108.800 -0.162 0.000 2.453 15 G HA2 -0.235 3.728 3.960 0.005 0.000 0.215 15 G HA3 -0.235 3.728 3.960 0.005 0.000 0.215 15 G C 1.740 176.591 174.900 -0.081 0.000 1.201 15 G CA 1.374 46.399 45.100 -0.125 0.000 0.784 15 G HN 0.605 nan 8.290 nan 0.000 0.545 16 Y N 0.724 120.980 120.300 -0.073 0.000 2.333 16 Y HA 0.085 4.638 4.550 0.005 0.000 0.290 16 Y C 2.277 178.163 175.900 -0.023 0.000 1.144 16 Y CA 0.957 59.040 58.100 -0.029 0.000 1.228 16 Y CB -0.661 37.802 38.460 0.006 0.000 0.985 16 Y HN 0.033 nan 8.280 nan 0.000 0.542 17 V N 0.890 120.530 119.914 -0.458 0.000 2.535 17 V HA -0.096 4.027 4.120 0.005 0.000 0.246 17 V C 2.771 178.782 176.094 -0.138 0.000 1.045 17 V CA 1.366 63.475 62.300 -0.317 0.000 1.058 17 V CB -1.062 30.499 31.823 -0.436 0.000 0.689 17 V HN 0.599 nan 8.190 nan 0.000 0.461 18 A N 0.071 122.807 122.820 -0.140 0.000 1.969 18 A HA -0.032 4.291 4.320 0.005 0.000 0.218 18 A C 2.365 179.905 177.584 -0.073 0.000 1.169 18 A CA 1.836 53.811 52.037 -0.103 0.000 0.635 18 A CB -0.524 18.409 19.000 -0.113 0.000 0.810 18 A HN 0.528 nan 8.150 nan 0.000 0.445 19 A N 0.017 122.809 122.820 -0.047 0.000 1.897 19 A HA 0.006 4.329 4.320 0.005 0.000 0.215 19 A C 2.077 179.662 177.584 0.001 0.000 1.181 19 A CA 1.314 53.339 52.037 -0.021 0.000 0.620 19 A CB -0.536 18.470 19.000 0.009 0.000 0.821 19 A HN 0.466 nan 8.150 nan 0.000 0.443 20 I N -1.029 119.557 120.570 0.025 0.000 2.226 20 I HA -0.249 3.924 4.170 0.005 0.000 0.245 20 I C 2.691 178.810 176.117 0.004 0.000 1.100 20 I CA 1.718 63.037 61.300 0.030 0.000 1.374 20 I CB -0.219 37.821 38.000 0.066 0.000 1.057 20 I HN 0.255 nan 8.210 nan 0.000 0.413 21 R N 1.315 121.807 120.500 -0.013 0.000 2.092 21 R HA -0.079 4.264 4.340 0.005 0.000 0.231 21 R C 2.223 178.511 176.300 -0.020 0.000 1.119 21 R CA 1.596 57.685 56.100 -0.018 0.000 0.970 21 R CB -0.540 29.741 30.300 -0.032 0.000 0.864 21 R HN 0.357 nan 8.270 nan 0.000 0.440 22 A N 0.291 123.094 122.820 -0.029 0.000 1.858 22 A HA -0.079 4.244 4.320 0.005 0.000 0.216 22 A C 2.379 179.958 177.584 -0.007 0.000 1.190 22 A CA 1.839 53.860 52.037 -0.027 0.000 0.617 22 A CB -1.213 17.764 19.000 -0.038 0.000 0.827 22 A HN 0.459 nan 8.150 nan 0.000 0.443 23 A N -0.562 122.257 122.820 -0.002 0.000 1.908 23 A HA -0.267 4.056 4.320 0.005 0.000 0.218 23 A C 2.122 179.709 177.584 0.004 0.000 1.181 23 A CA 1.834 53.874 52.037 0.006 0.000 0.627 23 A CB -0.714 18.289 19.000 0.006 0.000 0.818 23 A HN 0.686 nan 8.150 nan 0.000 0.445 24 Q N -0.559 119.242 119.800 0.001 0.000 2.124 24 Q HA -0.056 4.287 4.340 0.005 0.000 0.202 24 Q C 1.502 177.504 176.000 0.004 0.000 0.977 24 Q CA 1.211 57.015 55.803 0.001 0.000 0.850 24 Q CB -0.320 28.418 28.738 0.001 0.000 0.901 24 Q HN 0.660 nan 8.270 nan 0.000 0.429 25 L N 0.049 121.273 121.223 0.003 0.000 2.645 25 L HA 0.123 4.466 4.340 0.005 0.000 0.235 25 L C 0.755 177.630 176.870 0.010 0.000 1.150 25 L CA 0.169 55.012 54.840 0.005 0.000 0.911 25 L CB -0.371 41.689 42.059 0.002 0.000 1.077 25 L HN 0.362 nan 8.230 nan 0.000 0.438 26 G N 0.935 109.742 108.800 0.011 0.000 2.256 26 G HA2 -0.271 3.692 3.960 0.005 0.000 0.272 26 G HA3 -0.271 3.692 3.960 0.005 0.000 0.272 26 G C -0.169 174.745 174.900 0.024 0.000 1.076 26 G CA -0.199 44.911 45.100 0.017 0.000 0.882 26 G HN 0.269 nan 8.290 nan 0.000 0.497 27 L N 0.772 122.009 121.223 0.024 0.000 2.305 27 L HA 0.538 4.881 4.340 0.005 0.000 0.284 27 L C 1.077 177.978 176.870 0.051 0.000 1.013 27 L CA -0.748 54.111 54.840 0.033 0.000 0.819 27 L CB 1.956 44.026 42.059 0.019 0.000 1.227 27 L HN 0.230 nan 8.230 nan 0.000 0.417 28 S N 2.217 117.960 115.700 0.073 0.000 2.670 28 S HA 0.114 4.587 4.470 0.005 0.000 0.308 28 S C 0.032 174.734 174.600 0.170 0.000 1.232 28 S CA -0.036 58.238 58.200 0.124 0.000 1.126 28 S CB -0.221 63.042 63.200 0.105 0.000 0.897 28 S HN 0.621 nan 8.310 nan 0.000 0.508 29 T N 4.208 118.853 114.554 0.152 0.000 2.908 29 T HA 0.798 5.151 4.350 0.005 0.000 0.290 29 T C -0.700 173.938 174.700 -0.103 0.000 1.034 29 T CA -0.543 61.580 62.100 0.037 0.000 1.010 29 T CB 1.778 70.643 68.868 -0.004 0.000 1.068 29 T HN 0.833 nan 8.240 nan 0.000 0.481 30 A N 2.207 124.817 122.820 -0.351 0.000 2.459 30 A HA 0.806 5.129 4.320 0.005 0.000 0.296 30 A C -1.282 176.110 177.584 -0.320 0.000 1.039 30 A CA -0.670 51.042 52.037 -0.542 0.000 0.698 30 A CB 1.054 19.199 19.000 -1.425 0.000 1.261 30 A HN 0.915 nan 8.150 nan 0.000 0.405 31 I N 2.686 123.152 120.570 -0.174 0.000 2.433 31 I HA 0.640 4.813 4.170 0.005 0.000 0.292 31 I C -1.292 174.728 176.117 -0.162 0.000 1.001 31 I CA -0.894 60.320 61.300 -0.143 0.000 1.119 31 I CB 1.731 39.713 38.000 -0.031 0.000 1.289 31 I HN 0.366 nan 8.210 nan 0.000 0.438 32 V N 6.463 126.217 119.914 -0.267 0.000 2.347 32 V HA 0.515 4.638 4.120 0.005 0.000 0.280 32 V C -0.490 175.354 176.094 -0.416 0.000 1.021 32 V CA -0.393 61.736 62.300 -0.285 0.000 0.847 32 V CB 1.089 32.739 31.823 -0.287 0.000 0.990 32 V HN 0.728 nan 8.190 nan 0.000 0.444 33 E N 7.933 127.847 120.200 -0.477 0.000 2.278 33 E HA 0.495 4.848 4.350 0.005 0.000 0.272 33 E C -2.453 173.973 176.600 -0.289 0.000 0.890 33 E CA -1.575 54.456 56.400 -0.614 0.000 0.770 33 E CB 2.945 31.808 29.700 -1.395 0.000 1.212 33 E HN 0.307 nan 8.360 nan 0.000 0.415 34 P HA 0.133 nan 4.420 nan 0.000 0.238 34 P C 0.359 177.690 177.300 0.053 0.000 1.183 34 P CA 0.501 63.624 63.100 0.037 0.000 0.813 34 P CB 1.000 32.760 31.700 0.100 0.000 0.944 35 K N -1.444 118.922 120.400 -0.056 0.000 2.757 35 K HA 0.141 4.464 4.320 0.005 0.000 0.201 35 K C -0.077 176.558 176.600 0.058 0.000 1.495 35 K CA 0.009 56.253 56.287 -0.071 0.000 1.090 35 K CB 0.544 32.843 32.500 -0.335 0.000 1.796 35 K HN -0.104 nan 8.250 nan 0.000 0.523 36 Y N 0.913 121.188 120.300 -0.042 0.000 2.504 36 Y HA 0.196 4.749 4.550 0.005 0.000 0.339 36 Y C -1.072 174.737 175.900 -0.152 0.000 0.974 36 Y CA -1.369 56.718 58.100 -0.020 0.000 1.232 36 Y CB 0.500 38.960 38.460 0.001 0.000 1.108 36 Y HN 0.123 nan 8.280 nan 0.000 0.509 37 W N 3.002 124.395 121.300 0.155 0.000 2.437 37 W HA 0.418 5.081 4.660 0.005 0.000 0.312 37 W C 0.897 177.367 176.519 -0.081 0.000 1.242 37 W CA 0.529 57.860 57.345 -0.022 0.000 1.340 37 W CB 0.845 30.215 29.460 -0.151 0.000 1.327 37 W HN 0.853 nan 8.180 nan 0.000 0.476 38 G N 2.061 110.901 108.800 0.065 0.000 2.184 38 G HA2 0.090 4.053 3.960 0.005 0.000 0.206 38 G HA3 0.090 4.053 3.960 0.005 0.000 0.206 38 G C 0.771 175.709 174.900 0.063 0.000 0.995 38 G CA -0.309 44.827 45.100 0.060 0.000 0.651 38 G HN 1.420 nan 8.290 nan 0.000 0.511 39 G N -1.103 107.728 108.800 0.051 0.000 2.574 39 G HA2 -0.126 3.837 3.960 0.005 0.000 0.282 39 G HA3 -0.126 3.837 3.960 0.005 0.000 0.282 39 G C 1.206 176.102 174.900 -0.006 0.000 1.257 39 G CA 1.455 46.594 45.100 0.066 0.000 0.956 39 G HN 1.264 nan 8.290 nan 0.000 0.560 40 V N 0.112 120.040 119.914 0.023 0.000 2.323 40 V HA -0.185 3.939 4.120 0.005 0.000 0.244 40 V C 3.120 179.150 176.094 -0.107 0.000 1.041 40 V CA 2.649 64.935 62.300 -0.023 0.000 1.025 40 V CB -0.988 30.846 31.823 0.019 0.000 0.656 40 V HN 1.076 nan 8.190 nan 0.000 0.451 41 c N 0.309 118.854 118.600 -0.091 0.000 2.359 41 c HA -0.237 4.336 4.570 0.005 0.000 0.277 41 c C 2.612 176.648 174.090 -0.090 0.000 1.192 41 c CA 1.814 58.087 56.329 -0.092 0.000 1.759 41 c CB -1.122 41.356 42.510 -0.053 0.000 2.038 41 c HN 0.560 nan 8.230 nan 0.000 0.448 42 L N 0.583 121.765 121.223 -0.069 0.000 2.156 42 L HA -0.052 4.291 4.340 0.005 0.000 0.208 42 L C 2.466 179.260 176.870 -0.127 0.000 1.095 42 L CA 1.368 56.161 54.840 -0.078 0.000 0.770 42 L CB -0.936 41.095 42.059 -0.046 0.000 0.914 42 L HN 0.549 nan 8.230 nan 0.000 0.439 43 N N 0.269 118.842 118.700 -0.211 0.000 2.258 43 N HA -0.047 4.696 4.740 0.005 0.000 0.183 43 N C 1.166 176.534 175.510 -0.236 0.000 1.029 43 N CA 1.742 54.602 53.050 -0.317 0.000 0.857 43 N CB 0.556 38.582 38.487 -0.768 0.000 1.008 43 N HN 0.271 nan 8.380 nan 0.000 0.433 44 V N -2.949 116.849 119.914 -0.192 0.000 3.070 44 V HA 0.626 4.749 4.120 0.005 0.000 0.355 44 V C 0.485 176.635 176.094 0.093 0.000 1.400 44 V CA -0.316 62.001 62.300 0.028 0.000 1.170 44 V CB 0.553 32.477 31.823 0.169 0.000 1.169 44 V HN 0.165 nan 8.190 nan 0.000 0.554 45 G N -0.477 108.293 108.800 -0.049 0.000 3.359 45 G HA2 0.234 4.197 3.960 0.005 0.000 0.187 45 G HA3 0.234 4.197 3.960 0.005 0.000 0.187 45 G C 0.959 175.787 174.900 -0.119 0.000 1.294 45 G CA 0.629 45.659 45.100 -0.116 0.000 0.769 45 G HN 0.212 nan 8.290 nan 0.000 0.733 46 c N 0.877 119.394 118.600 -0.137 0.000 2.284 46 c HA -0.197 4.376 4.570 0.005 0.000 0.269 46 c C 2.773 176.766 174.090 -0.162 0.000 1.133 46 c CA 0.970 57.208 56.329 -0.151 0.000 1.794 46 c CB -1.404 41.029 42.510 -0.129 0.000 1.976 46 c HN 0.443 nan 8.230 nan 0.000 0.424 47 I N 2.399 122.890 120.570 -0.132 0.000 2.052 47 I HA -0.156 4.017 4.170 0.005 0.000 0.235 47 I C 0.219 176.260 176.117 -0.125 0.000 1.046 47 I CA 2.213 63.438 61.300 -0.125 0.000 1.308 47 I CB -3.001 34.938 38.000 -0.102 0.000 1.031 47 I HN 0.291 nan 8.210 nan 0.000 0.395 48 P HA -0.132 nan 4.420 nan 0.000 0.217 48 P C 1.977 179.211 177.300 -0.109 0.000 1.150 48 P CA 1.826 64.860 63.100 -0.110 0.000 0.832 48 P CB 0.003 31.652 31.700 -0.086 0.000 0.787 49 S N 0.249 115.878 115.700 -0.117 0.000 2.353 49 S HA -0.169 4.304 4.470 0.005 0.000 0.222 49 S C 1.826 176.343 174.600 -0.139 0.000 1.035 49 S CA 1.752 59.862 58.200 -0.150 0.000 1.025 49 S CB -0.611 62.491 63.200 -0.164 0.000 0.902 49 S HN -0.034 nan 8.310 nan 0.000 0.440 50 K N 1.283 121.581 120.400 -0.170 0.000 2.439 50 K HA 0.312 4.635 4.320 0.005 0.000 0.197 50 K C 1.809 178.343 176.600 -0.110 0.000 1.041 50 K CA 0.820 57.001 56.287 -0.177 0.000 0.970 50 K CB -0.581 31.724 32.500 -0.326 0.000 0.773 50 K HN 0.421 nan 8.250 nan 0.000 0.479 51 A N 0.090 122.849 122.820 -0.101 0.000 1.898 51 A HA -0.038 4.285 4.320 0.005 0.000 0.214 51 A C 1.664 179.222 177.584 -0.044 0.000 1.183 51 A CA 0.798 52.788 52.037 -0.077 0.000 0.622 51 A CB -0.263 18.677 19.000 -0.100 0.000 0.824 51 A HN 0.101 nan 8.150 nan 0.000 0.444 52 L N -0.066 121.128 121.223 -0.048 0.000 2.083 52 L HA -0.081 4.262 4.340 0.005 0.000 0.209 52 L C 2.423 179.352 176.870 0.098 0.000 1.083 52 L CA 1.310 56.149 54.840 -0.002 0.000 0.752 52 L CB -1.327 40.728 42.059 -0.007 0.000 0.899 52 L HN 0.346 nan 8.230 nan 0.000 0.433 53 L N -1.078 120.194 121.223 0.081 0.000 2.083 53 L HA -0.230 4.113 4.340 0.005 0.000 0.209 53 L C 2.746 179.728 176.870 0.186 0.000 1.083 53 L CA 0.866 55.807 54.840 0.169 0.000 0.752 53 L CB -0.382 41.733 42.059 0.094 0.000 0.899 53 L HN 0.228 nan 8.230 nan 0.000 0.433 54 R N 0.729 121.290 120.500 0.100 0.000 2.075 54 R HA -0.132 4.211 4.340 0.005 0.000 0.232 54 R C 1.851 178.225 176.300 0.123 0.000 1.126 54 R CA 1.791 57.947 56.100 0.092 0.000 0.963 54 R CB -0.554 29.768 30.300 0.036 0.000 0.858 54 R HN 0.302 nan 8.270 nan 0.000 0.435 55 N N 0.018 118.794 118.700 0.127 0.000 2.120 55 N HA -0.088 4.655 4.740 0.005 0.000 0.188 55 N C 1.511 177.143 175.510 0.204 0.000 1.024 55 N CA 1.842 54.992 53.050 0.168 0.000 0.852 55 N CB -0.325 38.273 38.487 0.185 0.000 1.003 55 N HN 0.368 nan 8.380 nan 0.000 0.424 56 A N 0.793 123.783 122.820 0.283 0.000 1.933 56 A HA -0.207 4.116 4.320 0.005 0.000 0.218 56 A C 2.071 179.708 177.584 0.087 0.000 1.175 56 A CA 1.600 53.738 52.037 0.167 0.000 0.628 56 A CB -0.646 18.488 19.000 0.224 0.000 0.814 56 A HN 0.454 nan 8.150 nan 0.000 0.444 57 E N -0.544 119.819 120.200 0.271 0.000 2.085 57 E HA -0.213 4.140 4.350 0.005 0.000 0.194 57 E C 1.738 178.463 176.600 0.208 0.000 0.994 57 E CA 1.324 57.907 56.400 0.305 0.000 0.801 57 E CB -0.171 29.680 29.700 0.253 0.000 0.743 57 E HN 0.415 nan 8.360 nan 0.000 0.453 58 L N 0.251 121.567 121.223 0.155 0.000 2.056 58 L HA -0.154 4.189 4.340 0.005 0.000 0.207 58 L C 2.455 179.404 176.870 0.131 0.000 1.078 58 L CA 0.975 55.933 54.840 0.197 0.000 0.749 58 L CB -0.685 41.434 42.059 0.098 0.000 0.901 58 L HN 0.085 nan 8.230 nan 0.000 0.433 59 V N -0.980 118.798 119.914 -0.227 0.000 2.392 59 V HA -0.336 3.787 4.120 0.005 0.000 0.249 59 V C 2.592 178.490 176.094 -0.326 0.000 1.059 59 V CA 1.830 63.660 62.300 -0.784 0.000 1.051 59 V CB -0.843 30.259 31.823 -1.201 0.000 0.658 59 V HN 0.534 nan 8.190 nan 0.000 0.455 60 H N 0.123 119.054 119.070 -0.231 0.000 2.353 60 H HA -0.092 4.467 4.556 0.005 0.000 0.300 60 H C 2.167 177.503 175.328 0.013 0.000 1.090 60 H CA 2.135 58.106 56.048 -0.128 0.000 1.327 60 H CB -0.068 29.648 29.762 -0.078 0.000 1.383 60 H HN 0.389 nan 8.280 nan 0.000 0.508 61 I N -0.603 120.138 120.570 0.286 0.000 2.141 61 I HA -0.243 3.930 4.170 0.005 0.000 0.236 61 I C 1.538 177.799 176.117 0.239 0.000 1.071 61 I CA 0.802 62.251 61.300 0.248 0.000 1.345 61 I CB -0.486 37.656 38.000 0.236 0.000 1.066 61 I HN 0.017 nan 8.210 nan 0.000 0.406 62 F N 0.945 121.000 119.950 0.174 0.000 2.753 62 F HA -0.085 4.445 4.527 0.005 0.000 0.299 62 F C 1.705 177.644 175.800 0.232 0.000 1.265 62 F CA 0.792 58.930 58.000 0.231 0.000 1.453 62 F CB -0.874 38.331 39.000 0.340 0.000 1.118 62 F HN 0.058 nan 8.300 nan 0.000 0.579 63 T N -2.611 112.099 114.554 0.261 0.000 3.105 63 T HA 0.025 4.378 4.350 0.005 0.000 0.257 63 T C 1.825 176.585 174.700 0.099 0.000 0.949 63 T CA -0.084 62.112 62.100 0.160 0.000 0.959 63 T CB 0.505 69.391 68.868 0.031 0.000 1.205 63 T HN 0.093 nan 8.240 nan 0.000 0.496 64 K N 0.772 121.242 120.400 0.117 0.000 2.287 64 K HA 0.077 4.400 4.320 0.005 0.000 0.199 64 K C 0.387 177.007 176.600 0.034 0.000 1.061 64 K CA 0.731 57.067 56.287 0.083 0.000 0.976 64 K CB 0.492 33.082 32.500 0.149 0.000 0.898 64 K HN 0.041 nan 8.250 nan 0.000 0.492 65 D N 0.479 120.903 120.400 0.039 0.000 2.395 65 D HA 0.129 4.772 4.640 0.005 0.000 0.213 65 D C 1.162 177.457 176.300 -0.008 0.000 1.110 65 D CA 0.123 54.078 54.000 -0.075 0.000 0.835 65 D CB 1.035 41.735 40.800 -0.167 0.000 0.965 65 D HN 0.209 nan 8.370 nan 0.000 0.505 66 A N 1.631 124.482 122.820 0.053 0.000 1.873 66 A HA -0.255 4.068 4.320 0.005 0.000 0.218 66 A C 2.128 179.735 177.584 0.038 0.000 1.193 66 A CA 1.618 53.684 52.037 0.048 0.000 0.629 66 A CB -0.342 18.701 19.000 0.072 0.000 0.826 66 A HN 0.147 nan 8.150 nan 0.000 0.447 67 K N -0.523 119.881 120.400 0.007 0.000 2.057 67 K HA -0.020 4.303 4.320 0.005 0.000 0.206 67 K C 2.074 178.649 176.600 -0.042 0.000 1.050 67 K CA 1.145 57.428 56.287 -0.007 0.000 0.935 67 K CB -0.323 32.170 32.500 -0.011 0.000 0.715 67 K HN 0.359 nan 8.250 nan 0.000 0.439 68 A N 0.099 122.846 122.820 -0.122 0.000 2.019 68 A HA -0.068 4.255 4.320 0.005 0.000 0.219 68 A C 1.539 178.981 177.584 -0.237 0.000 1.164 68 A CA 0.943 52.845 52.037 -0.226 0.000 0.644 68 A CB -0.504 18.270 19.000 -0.377 0.000 0.805 68 A HN 0.404 nan 8.150 nan 0.000 0.449 69 F N -0.816 119.093 119.950 -0.068 0.000 2.693 69 F HA 0.319 4.849 4.527 0.005 0.000 0.303 69 F C 1.720 177.478 175.800 -0.071 0.000 1.097 69 F CA 0.398 58.347 58.000 -0.084 0.000 1.330 69 F CB 0.387 39.303 39.000 -0.140 0.000 1.067 69 F HN 0.375 nan 8.300 nan 0.000 0.565 70 G N 1.718 110.578 108.800 0.100 0.000 2.160 70 G HA2 -0.313 3.650 3.960 0.005 0.000 0.251 70 G HA3 -0.313 3.650 3.960 0.005 0.000 0.251 70 G C 0.057 174.984 174.900 0.046 0.000 1.008 70 G CA -0.213 44.922 45.100 0.058 0.000 0.724 70 G HN 0.343 nan 8.290 nan 0.000 0.514 71 I N 1.848 122.446 120.570 0.047 0.000 2.321 71 I HA 0.515 4.688 4.170 0.005 0.000 0.291 71 I C 0.619 176.760 176.117 0.041 0.000 0.998 71 I CA -0.192 61.125 61.300 0.029 0.000 1.227 71 I CB 1.636 39.623 38.000 -0.021 0.000 1.368 71 I HN 0.324 nan 8.210 nan 0.000 0.466 72 S N 4.076 119.802 115.700 0.044 0.000 2.570 72 S HA 0.984 5.457 4.470 0.005 0.000 0.286 72 S C -0.388 174.240 174.600 0.046 0.000 1.099 72 S CA -0.659 57.567 58.200 0.042 0.000 0.913 72 S CB 2.329 65.547 63.200 0.030 0.000 1.085 72 S HN 1.186 nan 8.310 nan 0.000 0.480 73 G N 0.995 109.820 108.800 0.042 0.000 2.653 73 G HA2 0.136 4.099 3.960 0.005 0.000 0.656 73 G HA3 0.136 4.099 3.960 0.005 0.000 0.656 73 G C -1.438 173.481 174.900 0.031 0.000 1.419 73 G CA -1.107 44.012 45.100 0.032 0.000 0.862 73 G HN 0.788 nan 8.290 nan 0.000 0.639 74 E N 0.187 120.395 120.200 0.014 0.000 2.070 74 E HA 0.399 4.752 4.350 0.005 0.000 0.282 74 E C 0.106 176.685 176.600 -0.034 0.000 1.104 74 E CA -0.351 56.052 56.400 0.005 0.000 0.876 74 E CB 2.118 31.821 29.700 0.004 0.000 1.055 74 E HN 0.539 nan 8.360 nan 0.000 0.401 75 V N 3.332 123.206 119.914 -0.065 0.000 2.815 75 V HA 0.575 4.698 4.120 0.005 0.000 0.314 75 V C -0.293 175.589 176.094 -0.353 0.000 1.064 75 V CA -0.259 61.915 62.300 -0.210 0.000 0.952 75 V CB 2.233 33.904 31.823 -0.254 0.000 1.020 75 V HN 0.815 nan 8.190 nan 0.000 0.439 76 T N 2.061 116.330 114.554 -0.475 0.000 2.916 76 T HA 0.777 5.130 4.350 0.005 0.000 0.292 76 T C -1.133 173.169 174.700 -0.663 0.000 1.064 76 T CA -0.499 61.353 62.100 -0.413 0.000 1.011 76 T CB 1.654 70.453 68.868 -0.115 0.000 1.152 76 T HN 0.409 nan 8.240 nan 0.000 0.510 77 F N 0.489 120.450 119.950 0.017 0.000 2.529 77 F HA 0.538 5.068 4.527 0.005 0.000 0.320 77 F C -0.179 175.727 175.800 0.177 0.000 1.118 77 F CA -1.221 56.813 58.000 0.058 0.000 0.915 77 F CB 1.681 40.668 39.000 -0.022 0.000 1.161 77 F HN 0.559 nan 8.300 nan 0.000 0.445 78 D N 1.792 122.390 120.400 0.331 0.000 2.412 78 D HA 0.072 4.715 4.640 0.005 0.000 0.224 78 D C 0.553 177.035 176.300 0.303 0.000 1.093 78 D CA -0.339 53.827 54.000 0.275 0.000 0.850 78 D CB 0.504 41.388 40.800 0.140 0.000 1.046 78 D HN 0.564 nan 8.370 nan 0.000 0.507 79 Y N 3.497 123.910 120.300 0.189 0.000 2.315 79 Y HA -0.068 4.485 4.550 0.005 0.000 0.288 79 Y C 2.003 177.877 175.900 -0.043 0.000 1.154 79 Y CA 2.094 60.106 58.100 -0.147 0.000 1.229 79 Y CB 0.030 38.278 38.460 -0.352 0.000 0.980 79 Y HN 0.512 nan 8.280 nan 0.000 0.540 80 G N 0.743 109.593 108.800 0.084 0.000 2.440 80 G HA2 -0.266 3.697 3.960 0.005 0.000 0.218 80 G HA3 -0.266 3.697 3.960 0.005 0.000 0.218 80 G C 1.540 176.451 174.900 0.020 0.000 1.154 80 G CA 1.315 46.450 45.100 0.060 0.000 0.767 80 G HN 0.396 nan 8.290 nan 0.000 0.552 81 I N 1.810 122.382 120.570 0.003 0.000 2.315 81 I HA -0.095 4.078 4.170 0.005 0.000 0.248 81 I C 3.234 179.301 176.117 -0.084 0.000 1.117 81 I CA 1.116 62.408 61.300 -0.013 0.000 1.404 81 I CB -1.405 36.604 38.000 0.015 0.000 1.071 81 I HN 0.262 nan 8.210 nan 0.000 0.419 82 A N 0.367 123.082 122.820 -0.176 0.000 1.902 82 A HA -0.281 4.043 4.320 0.005 0.000 0.217 82 A C 2.386 179.767 177.584 -0.339 0.000 1.181 82 A CA 1.543 53.415 52.037 -0.276 0.000 0.623 82 A CB -1.147 17.581 19.000 -0.453 0.000 0.818 82 A HN 0.471 nan 8.150 nan 0.000 0.443 83 Y N 1.371 121.337 120.300 -0.556 0.000 2.145 83 Y HA -0.238 4.315 4.550 0.005 0.000 0.286 83 Y C 1.870 177.666 175.900 -0.175 0.000 1.145 83 Y CA 2.117 59.997 58.100 -0.366 0.000 1.148 83 Y CB -0.238 38.062 38.460 -0.267 0.000 0.981 83 Y HN 0.366 nan 8.280 nan 0.000 0.507 84 D N -0.028 120.284 120.400 -0.146 0.000 2.149 84 D HA -0.194 4.449 4.640 0.005 0.000 0.198 84 D C 2.224 178.399 176.300 -0.210 0.000 0.990 84 D CA 1.385 55.281 54.000 -0.173 0.000 0.839 84 D CB -0.391 40.393 40.800 -0.027 0.000 0.948 84 D HN 0.396 nan 8.370 nan 0.000 0.460 85 R N 0.793 121.188 120.500 -0.175 0.000 2.092 85 R HA -0.108 4.235 4.340 0.005 0.000 0.231 85 R C 2.370 178.565 176.300 -0.176 0.000 1.119 85 R CA 1.483 57.497 56.100 -0.144 0.000 0.970 85 R CB 0.021 30.257 30.300 -0.107 0.000 0.864 85 R HN 0.190 nan 8.270 nan 0.000 0.440 86 S N 0.237 115.797 115.700 -0.232 0.000 2.382 86 S HA -0.093 4.380 4.470 0.005 0.000 0.228 86 S C 1.858 176.315 174.600 -0.239 0.000 1.027 86 S CA 0.528 58.595 58.200 -0.221 0.000 0.991 86 S CB -0.166 62.897 63.200 -0.227 0.000 0.823 86 S HN 0.251 nan 8.310 nan 0.000 0.469 87 R N 1.760 122.056 120.500 -0.340 0.000 2.092 87 R HA 0.190 4.533 4.340 0.005 0.000 0.231 87 R C 2.265 178.465 176.300 -0.168 0.000 1.119 87 R CA 1.183 57.113 56.100 -0.283 0.000 0.970 87 R CB -0.738 29.333 30.300 -0.382 0.000 0.864 87 R HN 0.562 nan 8.270 nan 0.000 0.440 88 K N 0.243 120.552 120.400 -0.152 0.000 2.025 88 K HA -0.043 4.280 4.320 0.005 0.000 0.207 88 K C 2.109 178.654 176.600 -0.092 0.000 1.049 88 K CA 1.286 57.511 56.287 -0.102 0.000 0.933 88 K CB -0.213 32.233 32.500 -0.090 0.000 0.714 88 K HN -0.092 nan 8.250 nan 0.000 0.438 89 V N 1.618 121.470 119.914 -0.103 0.000 2.332 89 V HA -0.306 3.817 4.120 0.005 0.000 0.248 89 V C 2.385 178.426 176.094 -0.088 0.000 1.055 89 V CA 2.119 64.364 62.300 -0.092 0.000 1.038 89 V CB -0.801 30.963 31.823 -0.099 0.000 0.651 89 V HN 0.383 nan 8.190 nan 0.000 0.450 90 A N -0.343 122.417 122.820 -0.100 0.000 1.865 90 A HA -0.275 4.048 4.320 0.005 0.000 0.217 90 A C 2.178 179.721 177.584 -0.068 0.000 1.191 90 A CA 2.030 54.013 52.037 -0.091 0.000 0.623 90 A CB -0.580 18.358 19.000 -0.104 0.000 0.826 90 A HN 0.625 nan 8.150 nan 0.000 0.444 91 E N -0.757 119.407 120.200 -0.060 0.000 2.097 91 E HA -0.170 4.183 4.350 0.005 0.000 0.196 91 E C 2.129 178.709 176.600 -0.034 0.000 1.000 91 E CA 0.874 57.254 56.400 -0.033 0.000 0.804 91 E CB -0.412 29.268 29.700 -0.033 0.000 0.740 91 E HN 0.632 nan 8.360 nan 0.000 0.454 92 G N 1.466 110.236 108.800 -0.050 0.000 2.433 92 G HA2 -0.267 3.696 3.960 0.005 0.000 0.216 92 G HA3 -0.267 3.696 3.960 0.005 0.000 0.216 92 G C 1.597 176.464 174.900 -0.054 0.000 1.186 92 G CA 0.375 45.443 45.100 -0.053 0.000 0.779 92 G HN 0.031 nan 8.290 nan 0.000 0.543 93 R N 0.208 120.672 120.500 -0.060 0.000 2.091 93 R HA -0.033 4.311 4.340 0.005 0.000 0.238 93 R C 2.726 178.972 176.300 -0.089 0.000 1.136 93 R CA 0.913 56.972 56.100 -0.068 0.000 0.959 93 R CB -1.354 28.908 30.300 -0.063 0.000 0.856 93 R HN 0.354 nan 8.270 nan 0.000 0.437 94 V N 1.255 121.127 119.914 -0.070 0.000 2.407 94 V HA -0.215 3.908 4.120 0.005 0.000 0.248 94 V C 2.488 178.537 176.094 -0.075 0.000 1.055 94 V CA 1.841 64.097 62.300 -0.073 0.000 1.049 94 V CB -0.826 30.998 31.823 0.002 0.000 0.662 94 V HN 0.327 nan 8.190 nan 0.000 0.455 95 A N 0.400 123.218 122.820 -0.005 0.000 1.969 95 A HA -0.015 4.308 4.320 0.005 0.000 0.218 95 A C 2.381 179.986 177.584 0.035 0.000 1.169 95 A CA 1.612 53.684 52.037 0.058 0.000 0.635 95 A CB -0.980 18.035 19.000 0.024 0.000 0.810 95 A HN 0.527 nan 8.150 nan 0.000 0.445 96 G N -0.592 108.194 108.800 -0.023 0.000 2.443 96 G HA2 -0.043 3.920 3.960 0.005 0.000 0.219 96 G HA3 -0.043 3.920 3.960 0.005 0.000 0.219 96 G C 1.428 176.320 174.900 -0.014 0.000 1.131 96 G CA 1.141 46.246 45.100 0.008 0.000 0.775 96 G HN 0.299 nan 8.290 nan 0.000 0.547 97 V N 0.644 120.439 119.914 -0.198 0.000 2.307 97 V HA -0.170 3.953 4.120 0.005 0.000 0.245 97 V C 2.548 178.519 176.094 -0.205 0.000 1.045 97 V CA 1.725 63.802 62.300 -0.372 0.000 1.024 97 V CB -0.665 30.833 31.823 -0.542 0.000 0.651 97 V HN 0.419 nan 8.190 nan 0.000 0.449 98 H N -1.076 117.953 119.070 -0.069 0.000 2.387 98 H HA -0.180 4.379 4.556 0.005 0.000 0.299 98 H C 2.147 177.460 175.328 -0.024 0.000 1.099 98 H CA 1.995 57.980 56.048 -0.105 0.000 1.315 98 H CB -0.466 29.209 29.762 -0.145 0.000 1.380 98 H HN 0.497 nan 8.280 nan 0.000 0.513 99 F N 1.373 121.331 119.950 0.014 0.000 2.102 99 F HA -0.190 4.340 4.527 0.005 0.000 0.298 99 F C 2.011 177.806 175.800 -0.009 0.000 1.105 99 F CA 0.800 58.797 58.000 -0.005 0.000 1.239 99 F CB -0.481 38.508 39.000 -0.019 0.000 0.991 99 F HN -0.042 nan 8.300 nan 0.000 0.474 100 L N -0.016 121.134 121.223 -0.120 0.000 2.046 100 L HA -0.232 4.111 4.340 0.005 0.000 0.208 100 L C 2.405 179.189 176.870 -0.143 0.000 1.077 100 L CA 1.515 56.244 54.840 -0.185 0.000 0.747 100 L CB -1.197 40.847 42.059 -0.025 0.000 0.896 100 L HN 0.187 nan 8.230 nan 0.000 0.432 101 M N -0.970 118.590 119.600 -0.067 0.000 2.159 101 M HA -0.205 4.278 4.480 0.005 0.000 0.263 101 M C 2.218 178.480 176.300 -0.062 0.000 1.063 101 M CA 1.409 56.699 55.300 -0.018 0.000 1.110 101 M CB -0.980 31.641 32.600 0.035 0.000 1.374 101 M HN 0.261 nan 8.290 nan 0.000 0.411 102 K N 0.673 121.007 120.400 -0.111 0.000 2.007 102 K HA -0.163 4.160 4.320 0.005 0.000 0.206 102 K C 2.114 178.606 176.600 -0.179 0.000 1.047 102 K CA 1.249 57.465 56.287 -0.120 0.000 0.937 102 K CB -0.055 32.383 32.500 -0.103 0.000 0.718 102 K HN 0.147 nan 8.250 nan 0.000 0.438 103 K N 0.485 120.676 120.400 -0.349 0.000 2.160 103 K HA -0.138 4.185 4.320 0.005 0.000 0.206 103 K C 1.003 177.496 176.600 -0.178 0.000 1.047 103 K CA 1.546 57.623 56.287 -0.349 0.000 0.930 103 K CB 0.015 32.153 32.500 -0.603 0.000 0.720 103 K HN 0.174 nan 8.250 nan 0.000 0.450 104 N N 0.798 119.417 118.700 -0.135 0.000 2.268 104 N HA 0.005 4.748 4.740 0.005 0.000 0.204 104 N C -0.666 174.824 175.510 -0.032 0.000 1.124 104 N CA 0.198 53.208 53.050 -0.066 0.000 0.838 104 N CB 0.767 39.229 38.487 -0.042 0.000 0.994 104 N HN 0.096 nan 8.380 nan 0.000 0.489 105 K N 0.214 120.593 120.400 -0.036 0.000 3.088 105 K HA -0.182 4.141 4.320 0.005 0.000 0.273 105 K C -0.121 176.492 176.600 0.021 0.000 1.111 105 K CA 0.555 56.839 56.287 -0.004 0.000 0.803 105 K CB -2.144 30.359 32.500 0.006 0.000 1.226 105 K HN 0.397 nan 8.250 nan 0.000 0.485 106 I N 1.863 122.441 120.570 0.013 0.000 2.416 106 I HA 0.002 4.175 4.170 0.005 0.000 0.288 106 I C 0.911 177.051 176.117 0.037 0.000 1.051 106 I CA -0.020 61.297 61.300 0.029 0.000 1.375 106 I CB 0.871 38.888 38.000 0.029 0.000 1.407 106 I HN -0.069 nan 8.210 nan 0.000 0.516 107 T N 6.308 120.888 114.554 0.044 0.000 2.851 107 T HA 0.132 4.485 4.350 0.005 0.000 0.298 107 T C -0.007 174.704 174.700 0.018 0.000 0.977 107 T CA -0.312 61.819 62.100 0.052 0.000 1.126 107 T CB 0.233 69.172 68.868 0.120 0.000 0.916 107 T HN 0.482 nan 8.240 nan 0.000 0.529 108 E N 2.562 122.799 120.200 0.062 0.000 2.156 108 E HA 0.405 4.758 4.350 0.005 0.000 0.279 108 E C -0.500 176.177 176.600 0.128 0.000 0.965 108 E CA -0.466 56.001 56.400 0.111 0.000 0.789 108 E CB 1.337 31.039 29.700 0.002 0.000 1.098 108 E HN 0.529 nan 8.360 nan 0.000 0.397 109 I N 3.535 124.169 120.570 0.108 0.000 2.382 109 I HA 0.165 4.338 4.170 0.005 0.000 0.286 109 I C -0.207 175.969 176.117 0.097 0.000 1.002 109 I CA -0.607 60.751 61.300 0.097 0.000 1.135 109 I CB 0.914 38.918 38.000 0.006 0.000 1.288 109 I HN 0.412 nan 8.210 nan 0.000 0.448 110 H N 6.028 125.226 119.070 0.213 0.000 2.908 110 H HA 0.536 5.095 4.556 0.005 0.000 0.269 110 H C 0.332 175.749 175.328 0.148 0.000 1.303 110 H CA -0.028 56.172 56.048 0.254 0.000 1.341 110 H CB 0.896 30.791 29.762 0.221 0.000 1.519 110 H HN 0.910 nan 8.280 nan 0.000 0.505 111 G N 1.595 110.486 108.800 0.152 0.000 2.341 111 G HA2 0.072 4.035 3.960 0.005 0.000 0.299 111 G HA3 0.072 4.035 3.960 0.005 0.000 0.299 111 G C -2.267 172.680 174.900 0.079 0.000 1.274 111 G CA -0.823 44.350 45.100 0.122 0.000 0.853 111 G HN 0.321 nan 8.290 nan 0.000 0.493 112 Y N 1.109 121.386 120.300 -0.039 0.000 2.335 112 Y HA 0.596 5.149 4.550 0.005 0.000 0.339 112 Y C 0.639 176.487 175.900 -0.086 0.000 0.987 112 Y CA 0.020 58.074 58.100 -0.076 0.000 1.140 112 Y CB 1.483 39.916 38.460 -0.045 0.000 1.173 112 Y HN 0.720 nan 8.280 nan 0.000 0.486 113 G N 3.300 111.770 108.800 -0.549 0.000 2.356 113 G HA2 0.504 4.467 3.960 0.005 0.000 0.298 113 G HA3 0.504 4.467 3.960 0.005 0.000 0.298 113 G C -1.099 173.527 174.900 -0.457 0.000 1.145 113 G CA -0.454 44.379 45.100 -0.445 0.000 0.850 113 G HN 0.585 nan 8.290 nan 0.000 0.487 114 T N 1.921 116.352 114.554 -0.204 0.000 2.937 114 T HA 0.324 4.677 4.350 0.005 0.000 0.297 114 T C -0.467 174.226 174.700 -0.012 0.000 0.991 114 T CA -0.252 61.838 62.100 -0.018 0.000 0.990 114 T CB 0.774 69.729 68.868 0.144 0.000 0.991 114 T HN 0.317 nan 8.240 nan 0.000 0.440 115 F N 1.956 122.003 119.950 0.162 0.000 2.538 115 F HA 0.394 4.924 4.527 0.005 0.000 0.371 115 F C 1.298 177.178 175.800 0.133 0.000 1.087 115 F CA -0.146 57.955 58.000 0.169 0.000 1.250 115 F CB 0.752 39.853 39.000 0.168 0.000 1.110 115 F HN 0.732 nan 8.300 nan 0.000 0.570 116 A N 1.943 124.958 122.820 0.324 0.000 2.419 116 A HA 0.288 4.611 4.320 0.005 0.000 0.233 116 A C -0.379 177.313 177.584 0.181 0.000 1.217 116 A CA 0.267 52.426 52.037 0.203 0.000 0.944 116 A CB 0.046 19.135 19.000 0.148 0.000 1.025 116 A HN 0.760 nan 8.150 nan 0.000 0.524 117 D N -3.938 116.607 120.400 0.242 0.000 2.755 117 D HA 0.450 5.093 4.640 0.005 0.000 0.277 117 D C 0.577 177.004 176.300 0.213 0.000 1.261 117 D CA 0.203 54.300 54.000 0.162 0.000 0.759 117 D CB 0.343 41.200 40.800 0.095 0.000 1.279 117 D HN 0.048 nan 8.370 nan 0.000 0.420 118 A N 0.852 123.753 122.820 0.135 0.000 2.172 118 A HA 0.016 4.339 4.320 0.005 0.000 0.216 118 A C 1.003 178.754 177.584 0.278 0.000 1.154 118 A CA 1.365 53.518 52.037 0.193 0.000 0.701 118 A CB -0.533 18.588 19.000 0.202 0.000 0.789 118 A HN 0.525 nan 8.150 nan 0.000 0.465 119 N N -1.813 116.849 118.700 -0.062 0.000 2.143 119 N HA 0.134 4.877 4.740 0.005 0.000 0.229 119 N C -1.000 173.936 175.510 -0.957 0.000 1.294 119 N CA 0.172 52.767 53.050 -0.759 0.000 0.883 119 N CB 1.212 39.454 38.487 -0.409 0.000 1.148 119 N HN 0.142 nan 8.380 nan 0.000 0.511 120 T N 0.664 115.091 114.554 -0.213 0.000 2.861 120 T HA 0.522 4.875 4.350 0.005 0.000 0.287 120 T C -1.375 173.554 174.700 0.382 0.000 1.003 120 T CA -0.455 61.684 62.100 0.066 0.000 0.977 120 T CB 2.172 71.083 68.868 0.072 0.000 0.996 120 T HN -0.105 nan 8.240 nan 0.000 0.448 121 L N 3.976 125.425 121.223 0.376 0.000 2.372 121 L HA 0.654 4.997 4.340 0.005 0.000 0.274 121 L C -1.238 175.693 176.870 0.103 0.000 0.988 121 L CA -0.935 54.030 54.840 0.208 0.000 0.833 121 L CB 1.382 43.509 42.059 0.114 0.000 1.236 121 L HN 0.601 nan 8.230 nan 0.000 0.410 122 L N 6.302 127.566 121.223 0.068 0.000 2.305 122 L HA 0.676 5.019 4.340 0.005 0.000 0.281 122 L C -0.968 175.921 176.870 0.031 0.000 1.085 122 L CA 0.150 55.029 54.840 0.065 0.000 0.813 122 L CB 1.393 43.500 42.059 0.081 0.000 1.157 122 L HN 0.411 nan 8.230 nan 0.000 0.436 123 V N 3.935 123.875 119.914 0.043 0.000 2.680 123 V HA 0.423 4.546 4.120 0.005 0.000 0.309 123 V C -0.886 175.252 176.094 0.073 0.000 1.052 123 V CA -0.699 61.622 62.300 0.036 0.000 0.908 123 V CB 1.857 33.693 31.823 0.020 0.000 1.001 123 V HN 0.654 nan 8.190 nan 0.000 0.431 124 D N 4.280 124.741 120.400 0.102 0.000 2.493 124 D HA 0.387 5.030 4.640 0.005 0.000 0.235 124 D C 0.177 176.538 176.300 0.101 0.000 1.117 124 D CA -0.128 53.933 54.000 0.102 0.000 0.930 124 D CB 0.849 41.719 40.800 0.116 0.000 1.010 124 D HN 0.354 nan 8.370 nan 0.000 0.514 125 L N 1.619 122.896 121.223 0.090 0.000 2.554 125 L HA -0.072 4.271 4.340 0.005 0.000 0.293 125 L C 1.719 178.645 176.870 0.094 0.000 1.252 125 L CA -0.074 54.827 54.840 0.101 0.000 0.862 125 L CB 0.387 42.500 42.059 0.090 0.000 1.113 125 L HN 0.194 nan 8.230 nan 0.000 0.510 126 N N 1.681 120.450 118.700 0.115 0.000 2.453 126 N HA -0.132 4.611 4.740 0.005 0.000 0.183 126 N C 0.832 176.378 175.510 0.061 0.000 1.041 126 N CA 1.127 54.233 53.050 0.094 0.000 0.900 126 N CB -0.271 38.291 38.487 0.125 0.000 0.961 126 N HN 0.698 nan 8.380 nan 0.000 0.443 127 D N -1.467 118.967 120.400 0.056 0.000 2.336 127 D HA 0.235 4.878 4.640 0.005 0.000 0.228 127 D C 1.225 177.544 176.300 0.033 0.000 1.120 127 D CA 0.238 54.259 54.000 0.035 0.000 0.839 127 D CB -0.046 40.769 40.800 0.025 0.000 0.932 127 D HN 0.146 nan 8.370 nan 0.000 0.509 128 G N -0.853 107.970 108.800 0.038 0.000 2.299 128 G HA2 -0.232 3.731 3.960 0.005 0.000 0.237 128 G HA3 -0.232 3.731 3.960 0.005 0.000 0.237 128 G C 0.854 175.776 174.900 0.038 0.000 1.027 128 G CA -0.046 45.074 45.100 0.033 0.000 0.619 128 G HN 0.810 nan 8.290 nan 0.000 0.513 129 G N -0.608 108.217 108.800 0.043 0.000 2.661 129 G HA2 0.509 4.472 3.960 0.005 0.000 0.272 129 G HA3 0.509 4.472 3.960 0.005 0.000 0.272 129 G C -0.093 174.839 174.900 0.053 0.000 1.296 129 G CA 1.240 46.368 45.100 0.046 0.000 0.998 129 G HN 1.048 nan 8.290 nan 0.000 0.553 130 T N 0.045 114.632 114.554 0.054 0.000 3.041 130 T HA 0.532 4.885 4.350 0.005 0.000 0.321 130 T C -1.021 173.716 174.700 0.063 0.000 1.184 130 T CA -0.534 61.602 62.100 0.060 0.000 1.050 130 T CB 1.925 70.825 68.868 0.054 0.000 1.159 130 T HN 0.853 nan 8.240 nan 0.000 0.469 131 E N 0.822 121.064 120.200 0.070 0.000 2.354 131 E HA 0.671 5.024 4.350 0.005 0.000 0.283 131 E C -1.533 175.118 176.600 0.085 0.000 0.938 131 E CA -0.859 55.588 56.400 0.078 0.000 0.777 131 E CB 1.573 31.326 29.700 0.087 0.000 1.222 131 E HN 0.358 nan 8.360 nan 0.000 0.423 132 S N 1.361 117.116 115.700 0.093 0.000 2.549 132 S HA 0.668 5.141 4.470 0.005 0.000 0.297 132 S C -0.718 173.967 174.600 0.143 0.000 1.115 132 S CA -0.689 57.575 58.200 0.107 0.000 1.059 132 S CB 1.678 64.934 63.200 0.094 0.000 1.046 132 S HN 0.424 nan 8.310 nan 0.000 0.506 133 V N 2.052 122.078 119.914 0.185 0.000 2.876 133 V HA 0.643 4.766 4.120 0.005 0.000 0.312 133 V C 0.209 176.487 176.094 0.308 0.000 1.085 133 V CA -0.913 61.547 62.300 0.266 0.000 0.945 133 V CB 2.233 34.249 31.823 0.323 0.000 1.017 133 V HN 1.030 nan 8.190 nan 0.000 0.428 134 T N 0.635 115.368 114.554 0.299 0.000 2.944 134 T HA 0.930 5.283 4.350 0.005 0.000 0.284 134 T C -0.799 174.085 174.700 0.308 0.000 1.010 134 T CA -0.544 61.680 62.100 0.207 0.000 1.025 134 T CB 1.778 70.803 68.868 0.262 0.000 1.079 134 T HN 0.992 nan 8.240 nan 0.000 0.516 135 F N -1.479 118.611 119.950 0.233 0.000 2.703 135 F HA 0.537 5.067 4.527 0.005 0.000 0.308 135 F C -0.423 175.493 175.800 0.193 0.000 1.126 135 F CA -1.279 56.762 58.000 0.069 0.000 0.959 135 F CB 0.557 39.622 39.000 0.109 0.000 1.297 135 F HN 0.415 nan 8.300 nan 0.000 0.441 136 D N 0.272 120.868 120.400 0.326 0.000 2.305 136 D HA 0.096 4.739 4.640 0.005 0.000 0.206 136 D C -0.329 176.209 176.300 0.397 0.000 0.974 136 D CA 1.012 55.170 54.000 0.264 0.000 0.871 136 D CB 0.253 41.176 40.800 0.205 0.000 0.947 136 D HN 0.459 nan 8.370 nan 0.000 0.516 137 N N -0.320 118.684 118.700 0.506 0.000 2.277 137 N HA 0.559 5.302 4.740 0.005 0.000 0.286 137 N C -1.387 174.312 175.510 0.315 0.000 1.140 137 N CA -0.428 52.904 53.050 0.470 0.000 0.799 137 N CB 2.908 41.554 38.487 0.265 0.000 1.596 137 N HN -0.131 nan 8.380 nan 0.000 0.473 138 A N 1.509 124.445 122.820 0.192 0.000 2.422 138 A HA 0.705 5.028 4.320 0.005 0.000 0.302 138 A C -0.961 176.642 177.584 0.032 0.000 1.041 138 A CA -0.575 51.392 52.037 -0.117 0.000 0.708 138 A CB 0.925 19.723 19.000 -0.337 0.000 1.257 138 A HN 0.582 nan 8.150 nan 0.000 0.414 139 I N 3.382 123.922 120.570 -0.050 0.000 2.382 139 I HA 0.295 4.468 4.170 0.005 0.000 0.285 139 I C -0.656 175.449 176.117 -0.019 0.000 1.007 139 I CA -0.249 61.048 61.300 -0.005 0.000 1.142 139 I CB 1.339 39.292 38.000 -0.078 0.000 1.289 139 I HN 0.507 nan 8.210 nan 0.000 0.453 140 I N 6.145 126.744 120.570 0.047 0.000 2.308 140 I HA 0.282 4.455 4.170 0.005 0.000 0.293 140 I C 0.706 176.815 176.117 -0.013 0.000 1.078 140 I CA 0.078 61.399 61.300 0.035 0.000 1.292 140 I CB 1.011 39.094 38.000 0.138 0.000 1.423 140 I HN 0.669 nan 8.210 nan 0.000 0.493 141 A N 3.950 126.720 122.820 -0.083 0.000 3.105 141 A HA 0.244 4.567 4.320 0.005 0.000 0.297 141 A C 1.124 178.638 177.584 -0.117 0.000 0.977 141 A CA -0.399 51.587 52.037 -0.085 0.000 1.020 141 A CB -0.403 18.536 19.000 -0.102 0.000 1.098 141 A HN 0.743 nan 8.150 nan 0.000 0.497 142 T N -2.811 111.671 114.554 -0.120 0.000 3.113 142 T HA 0.392 4.745 4.350 0.005 0.000 0.263 142 T C 1.350 176.017 174.700 -0.054 0.000 1.143 142 T CA 0.954 62.957 62.100 -0.161 0.000 1.090 142 T CB -0.431 68.275 68.868 -0.271 0.000 0.922 142 T HN 1.994 nan 8.240 nan 0.000 0.521 143 G N 1.471 110.260 108.800 -0.019 0.000 2.601 143 G HA2 -0.058 3.905 3.960 0.005 0.000 0.252 143 G HA3 -0.058 3.905 3.960 0.005 0.000 0.252 143 G C -0.111 174.828 174.900 0.064 0.000 1.294 143 G CA -0.002 45.106 45.100 0.014 0.000 0.912 143 G HN 1.580 nan 8.290 nan 0.000 0.574 144 S N -1.929 113.826 115.700 0.092 0.000 2.661 144 S HA 0.894 5.367 4.470 0.005 0.000 0.285 144 S C -0.484 174.256 174.600 0.233 0.000 1.138 144 S CA 0.419 58.712 58.200 0.155 0.000 0.855 144 S CB 2.149 65.451 63.200 0.169 0.000 1.136 144 S HN 1.710 nan 8.310 nan 0.000 0.484 145 S N 0.652 116.518 115.700 0.277 0.000 2.568 145 S HA 0.652 5.125 4.470 0.005 0.000 0.293 145 S C -0.432 174.378 174.600 0.350 0.000 1.089 145 S CA -0.650 57.739 58.200 0.315 0.000 0.945 145 S CB 1.679 64.993 63.200 0.189 0.000 1.077 145 S HN 0.964 nan 8.310 nan 0.000 0.485 146 T N 1.778 116.540 114.554 0.347 0.000 2.902 146 T HA 0.107 4.460 4.350 0.005 0.000 0.301 146 T C 0.135 174.747 174.700 -0.146 0.000 1.012 146 T CA 0.040 62.099 62.100 -0.068 0.000 1.151 146 T CB -0.064 68.819 68.868 0.025 0.000 0.946 146 T HN 0.508 nan 8.240 nan 0.000 0.542 147 R N 4.859 125.184 120.500 -0.292 0.000 2.265 147 R HA 0.418 4.761 4.340 0.005 0.000 0.314 147 R C -0.241 175.959 176.300 -0.166 0.000 1.053 147 R CA -0.591 55.409 56.100 -0.167 0.000 0.931 147 R CB 0.372 30.581 30.300 -0.153 0.000 1.024 147 R HN 0.661 nan 8.270 nan 0.000 0.457 148 L N 3.845 125.006 121.223 -0.104 0.000 2.379 148 L HA 0.321 4.664 4.340 0.005 0.000 0.269 148 L C 0.086 176.907 176.870 -0.082 0.000 1.084 148 L CA -1.122 53.664 54.840 -0.090 0.000 0.802 148 L CB 1.644 43.665 42.059 -0.064 0.000 1.175 148 L HN 0.347 nan 8.230 nan 0.000 0.448 149 V N 3.052 122.921 119.914 -0.075 0.000 2.540 149 V HA 0.017 4.140 4.120 0.005 0.000 0.297 149 V C -1.913 174.145 176.094 -0.061 0.000 1.024 149 V CA -0.969 61.289 62.300 -0.069 0.000 1.105 149 V CB 0.262 32.052 31.823 -0.054 0.000 0.938 149 V HN 0.626 nan 8.190 nan 0.000 0.482 150 P HA 0.073 nan 4.420 nan 0.000 0.259 150 P C 1.023 178.297 177.300 -0.043 0.000 1.163 150 P CA 1.812 64.879 63.100 -0.055 0.000 0.760 150 P CB 0.243 31.904 31.700 -0.065 0.000 0.762 151 G N 1.780 110.559 108.800 -0.035 0.000 2.336 151 G HA2 -0.255 3.708 3.960 0.005 0.000 0.233 151 G HA3 -0.255 3.708 3.960 0.005 0.000 0.233 151 G C 0.535 175.419 174.900 -0.026 0.000 1.053 151 G CA 0.378 45.461 45.100 -0.028 0.000 0.625 151 G HN 0.804 nan 8.290 nan 0.000 0.511 152 T N -0.632 113.904 114.554 -0.030 0.000 2.770 152 T HA 0.720 5.073 4.350 0.005 0.000 0.281 152 T C 0.369 175.051 174.700 -0.030 0.000 0.981 152 T CA 0.976 63.059 62.100 -0.029 0.000 0.955 152 T CB 1.739 70.588 68.868 -0.032 0.000 1.060 152 T HN 1.968 nan 8.240 nan 0.000 0.531 153 S N -0.531 115.151 115.700 -0.029 0.000 2.615 153 S HA 0.580 5.053 4.470 0.005 0.000 0.269 153 S C -0.931 173.651 174.600 -0.030 0.000 1.161 153 S CA -1.228 56.955 58.200 -0.029 0.000 0.817 153 S CB 0.569 63.755 63.200 -0.023 0.000 1.131 153 S HN 0.777 nan 8.310 nan 0.000 0.467 154 L N 2.225 123.430 121.223 -0.031 0.000 2.418 154 L HA 0.737 5.080 4.340 0.005 0.000 0.265 154 L C 0.626 177.480 176.870 -0.028 0.000 1.143 154 L CA -0.020 54.800 54.840 -0.033 0.000 0.809 154 L CB 1.263 43.300 42.059 -0.036 0.000 1.124 154 L HN 1.120 nan 8.230 nan 0.000 0.456 155 S N 0.271 115.954 115.700 -0.028 0.000 2.724 155 S HA 0.496 4.969 4.470 0.005 0.000 0.278 155 S C 0.373 174.958 174.600 -0.024 0.000 1.190 155 S CA -0.196 57.990 58.200 -0.023 0.000 0.860 155 S CB 0.970 64.158 63.200 -0.020 0.000 1.206 155 S HN 0.569 nan 8.310 nan 0.000 0.507 156 A N 1.304 124.112 122.820 -0.019 0.000 1.940 156 A HA -0.051 4.272 4.320 0.005 0.000 0.219 156 A C 1.549 179.120 177.584 -0.022 0.000 1.176 156 A CA 1.871 53.897 52.037 -0.019 0.000 0.631 156 A CB -1.040 17.951 19.000 -0.015 0.000 0.814 156 A HN 0.745 nan 8.150 nan 0.000 0.446 157 N N -1.086 117.601 118.700 -0.022 0.000 2.220 157 N HA 0.146 4.889 4.740 0.005 0.000 0.195 157 N C -0.554 174.939 175.510 -0.029 0.000 1.123 157 N CA 0.280 53.316 53.050 -0.023 0.000 0.874 157 N CB 1.049 39.525 38.487 -0.019 0.000 0.995 157 N HN 0.207 nan 8.380 nan 0.000 0.498 158 V N 2.457 122.352 119.914 -0.031 0.000 2.357 158 V HA 0.424 4.547 4.120 0.005 0.000 0.284 158 V C 0.260 176.326 176.094 -0.047 0.000 1.018 158 V CA -0.744 61.534 62.300 -0.037 0.000 0.841 158 V CB 1.363 33.166 31.823 -0.033 0.000 0.991 158 V HN -0.020 nan 8.190 nan 0.000 0.437 159 V N 2.015 121.893 119.914 -0.060 0.000 3.158 159 V HA 0.912 5.035 4.120 0.005 0.000 0.311 159 V C 0.010 176.046 176.094 -0.096 0.000 1.181 159 V CA -0.424 61.831 62.300 -0.074 0.000 1.054 159 V CB 2.128 33.907 31.823 -0.073 0.000 1.085 159 V HN 0.785 nan 8.190 nan 0.000 0.446 160 T N -1.240 113.241 114.554 -0.120 0.000 2.923 160 T HA 0.460 4.813 4.350 0.005 0.000 0.281 160 T C 0.917 175.507 174.700 -0.184 0.000 0.995 160 T CA 0.326 62.344 62.100 -0.136 0.000 0.985 160 T CB 1.056 69.804 68.868 -0.200 0.000 1.114 160 T HN 1.313 nan 8.240 nan 0.000 0.548 161 Y N -0.509 119.797 120.300 0.010 0.000 2.241 161 Y HA -0.089 4.464 4.550 0.005 0.000 0.286 161 Y C 2.301 178.302 175.900 0.169 0.000 1.166 161 Y CA 1.659 59.764 58.100 0.008 0.000 1.203 161 Y CB -0.821 37.804 38.460 0.275 0.000 0.977 161 Y HN 0.849 nan 8.280 nan 0.000 0.529 162 E N 0.682 120.427 120.200 -0.757 0.000 2.023 162 E HA -0.253 4.100 4.350 0.005 0.000 0.196 162 E C 1.826 178.408 176.600 -0.029 0.000 1.003 162 E CA 1.830 58.024 56.400 -0.342 0.000 0.809 162 E CB -0.052 29.369 29.700 -0.466 0.000 0.755 162 E HN 0.660 nan 8.360 nan 0.000 0.449 163 E N 0.133 120.290 120.200 -0.073 0.000 2.153 163 E HA -0.223 4.130 4.350 0.005 0.000 0.194 163 E C 1.961 178.592 176.600 0.051 0.000 0.988 163 E CA 1.259 57.659 56.400 -0.001 0.000 0.811 163 E CB -0.098 29.583 29.700 -0.033 0.000 0.746 163 E HN 0.174 nan 8.360 nan 0.000 0.466 164 Q N 0.376 120.204 119.800 0.047 0.000 2.049 164 Q HA -0.062 4.281 4.340 0.005 0.000 0.198 164 Q C 1.995 178.187 176.000 0.319 0.000 0.971 164 Q CA 0.992 56.863 55.803 0.113 0.000 0.833 164 Q CB -0.255 28.458 28.738 -0.043 0.000 0.896 164 Q HN 0.333 nan 8.270 nan 0.000 0.434 165 I N -0.347 120.493 120.570 0.449 0.000 2.361 165 I HA -0.139 4.034 4.170 0.005 0.000 0.251 165 I C 1.145 177.505 176.117 0.404 0.000 1.133 165 I CA 1.133 62.730 61.300 0.494 0.000 1.413 165 I CB 0.109 38.409 38.000 0.500 0.000 1.073 165 I HN 0.236 nan 8.210 nan 0.000 0.424 166 L N -0.543 120.878 121.223 0.330 0.000 2.653 166 L HA 0.163 4.506 4.340 0.005 0.000 0.232 166 L C 0.763 177.777 176.870 0.241 0.000 1.169 166 L CA -0.081 54.984 54.840 0.375 0.000 0.951 166 L CB -0.371 41.836 42.059 0.247 0.000 1.181 166 L HN 0.062 nan 8.230 nan 0.000 0.460 167 S N 0.144 115.931 115.700 0.146 0.000 2.410 167 S HA 0.200 4.673 4.470 0.005 0.000 0.304 167 S C 1.130 175.567 174.600 -0.271 0.000 1.095 167 S CA -0.588 57.577 58.200 -0.059 0.000 1.089 167 S CB 0.944 64.152 63.200 0.012 0.000 0.968 167 S HN 0.319 nan 8.310 nan 0.000 0.480 168 R N 2.945 123.037 120.500 -0.681 0.000 2.189 168 R HA 0.050 4.393 4.340 0.005 0.000 0.218 168 R C -0.376 175.842 176.300 -0.137 0.000 1.074 168 R CA 0.969 56.602 56.100 -0.778 0.000 0.991 168 R CB 0.205 30.006 30.300 -0.833 0.000 0.883 168 R HN 0.583 nan 8.270 nan 0.000 0.457 169 E N 0.204 120.330 120.200 -0.122 0.000 2.204 169 E HA 0.303 4.656 4.350 0.005 0.000 0.276 169 E C -1.124 175.412 176.600 -0.108 0.000 0.974 169 E CA -0.376 55.986 56.400 -0.063 0.000 0.815 169 E CB 2.109 31.775 29.700 -0.056 0.000 1.119 169 E HN 0.085 nan 8.360 nan 0.000 0.393 170 L N 4.073 125.205 121.223 -0.152 0.000 2.322 170 L HA 0.515 4.858 4.340 0.005 0.000 0.279 170 L C -1.779 175.029 176.870 -0.104 0.000 1.036 170 L CA -1.972 52.743 54.840 -0.208 0.000 0.807 170 L CB 0.972 42.813 42.059 -0.362 0.000 1.226 170 L HN 0.458 nan 8.230 nan 0.000 0.433 171 P HA 0.100 nan 4.420 nan 0.000 0.276 171 P C -0.158 177.122 177.300 -0.034 0.000 1.261 171 P CA -0.600 62.473 63.100 -0.045 0.000 0.800 171 P CB 1.346 33.025 31.700 -0.035 0.000 1.066 172 K N 0.053 120.442 120.400 -0.019 0.000 2.103 172 K HA 0.000 4.323 4.320 0.005 0.000 0.204 172 K C 0.659 177.254 176.600 -0.007 0.000 1.052 172 K CA 0.932 57.213 56.287 -0.011 0.000 0.945 172 K CB 0.041 32.538 32.500 -0.006 0.000 0.722 172 K HN 0.650 nan 8.250 nan 0.000 0.443 173 S N -0.836 114.860 115.700 -0.006 0.000 2.638 173 S HA 0.629 5.102 4.470 0.005 0.000 0.274 173 S C -0.825 173.776 174.600 0.002 0.000 1.157 173 S CA -1.035 57.166 58.200 0.001 0.000 0.826 173 S CB 1.996 65.199 63.200 0.004 0.000 1.139 173 S HN 0.211 nan 8.310 nan 0.000 0.474 174 I N 0.167 120.744 120.570 0.012 0.000 2.828 174 I HA 0.510 4.683 4.170 0.005 0.000 0.295 174 I C -2.209 173.923 176.117 0.024 0.000 1.459 174 I CA -1.133 60.175 61.300 0.013 0.000 1.015 174 I CB 1.693 39.703 38.000 0.016 0.000 1.345 174 I HN 0.838 nan 8.210 nan 0.000 0.449 175 I N 7.297 127.877 120.570 0.016 0.000 2.389 175 I HA 0.451 4.624 4.170 0.005 0.000 0.288 175 I C -0.723 175.405 176.117 0.019 0.000 0.999 175 I CA -0.499 60.815 61.300 0.023 0.000 1.129 175 I CB 1.763 39.772 38.000 0.015 0.000 1.288 175 I HN 0.314 nan 8.210 nan 0.000 0.444 176 I N 5.638 126.230 120.570 0.038 0.000 2.354 176 I HA 0.479 4.652 4.170 0.005 0.000 0.292 176 I C 0.302 176.440 176.117 0.036 0.000 0.989 176 I CA -0.510 60.811 61.300 0.035 0.000 1.188 176 I CB 1.772 39.818 38.000 0.076 0.000 1.342 176 I HN 0.590 nan 8.210 nan 0.000 0.457 177 A N 5.319 128.150 122.820 0.018 0.000 2.260 177 A HA 0.767 5.090 4.320 0.005 0.000 0.312 177 A C 0.353 177.953 177.584 0.027 0.000 1.321 177 A CA -0.129 51.920 52.037 0.020 0.000 0.928 177 A CB 0.155 19.154 19.000 -0.002 0.000 1.158 177 A HN 1.063 nan 8.150 nan 0.000 0.542 178 G N 0.741 109.569 108.800 0.047 0.000 3.363 178 G HA2 0.417 4.380 3.960 0.005 0.000 0.685 178 G HA3 0.417 4.380 3.960 0.005 0.000 0.685 178 G C -0.055 174.886 174.900 0.068 0.000 1.199 178 G CA -0.270 44.864 45.100 0.057 0.000 0.946 178 G HN 1.971 nan 8.290 nan 0.000 0.558 179 A N 1.586 124.438 122.820 0.054 0.000 2.833 179 A HA 0.756 5.079 4.320 0.005 0.000 0.293 179 A C 1.359 178.959 177.584 0.027 0.000 1.338 179 A CA 1.048 53.101 52.037 0.026 0.000 0.959 179 A CB -0.221 18.774 19.000 -0.009 0.000 1.094 179 A HN 2.043 nan 8.150 nan 0.000 0.569 180 G N -1.978 106.867 108.800 0.074 0.000 2.557 180 G HA2 0.455 4.418 3.960 0.005 0.000 0.292 180 G HA3 0.455 4.418 3.960 0.005 0.000 0.292 180 G C 1.188 176.147 174.900 0.099 0.000 1.237 180 G CA 0.062 45.215 45.100 0.087 0.000 0.978 180 G HN 0.596 nan 8.290 nan 0.000 0.498 181 A N -0.370 122.509 122.820 0.099 0.000 1.884 181 A HA -0.140 4.183 4.320 0.005 0.000 0.219 181 A C 2.378 180.066 177.584 0.173 0.000 1.197 181 A CA 1.803 53.905 52.037 0.109 0.000 0.637 181 A CB -0.628 18.432 19.000 0.099 0.000 0.827 181 A HN 0.584 nan 8.150 nan 0.000 0.450 182 I N -0.535 120.161 120.570 0.210 0.000 2.208 182 I HA -0.259 3.914 4.170 0.005 0.000 0.245 182 I C 2.685 179.059 176.117 0.429 0.000 1.097 182 I CA 1.299 62.787 61.300 0.312 0.000 1.363 182 I CB -0.710 37.497 38.000 0.344 0.000 1.051 182 I HN 0.438 nan 8.210 nan 0.000 0.413 183 G N 0.533 109.521 108.800 0.312 0.000 2.402 183 G HA2 -0.190 3.773 3.960 0.005 0.000 0.216 183 G HA3 -0.190 3.773 3.960 0.005 0.000 0.216 183 G C 1.659 176.739 174.900 0.300 0.000 1.162 183 G CA 0.317 45.587 45.100 0.282 0.000 0.777 183 G HN 0.108 nan 8.290 nan 0.000 0.539 184 M N 0.712 120.445 119.600 0.220 0.000 2.159 184 M HA -0.011 4.472 4.480 0.005 0.000 0.263 184 M C 2.365 178.929 176.300 0.439 0.000 1.063 184 M CA 1.082 56.521 55.300 0.231 0.000 1.110 184 M CB -1.009 31.584 32.600 -0.013 0.000 1.374 184 M HN 0.400 nan 8.290 nan 0.000 0.411 185 E N -0.320 120.084 120.200 0.339 0.000 2.047 185 E HA -0.163 4.190 4.350 0.005 0.000 0.191 185 E C 1.941 178.717 176.600 0.292 0.000 0.987 185 E CA 1.136 57.708 56.400 0.287 0.000 0.799 185 E CB -0.287 29.499 29.700 0.143 0.000 0.752 185 E HN 0.358 nan 8.360 nan 0.000 0.449 186 F N 1.033 121.133 119.950 0.251 0.000 2.161 186 F HA -0.137 4.393 4.527 0.005 0.000 0.300 186 F C 2.449 178.382 175.800 0.222 0.000 1.089 186 F CA 1.305 59.437 58.000 0.219 0.000 1.282 186 F CB -0.570 38.541 39.000 0.186 0.000 1.010 186 F HN 0.088 nan 8.300 nan 0.000 0.485 187 G N -1.385 107.687 108.800 0.453 0.000 2.421 187 G HA2 -0.340 3.623 3.960 0.005 0.000 0.216 187 G HA3 -0.340 3.623 3.960 0.005 0.000 0.216 187 G C 1.516 176.593 174.900 0.295 0.000 1.171 187 G CA 0.842 46.170 45.100 0.380 0.000 0.775 187 G HN 0.390 nan 8.290 nan 0.000 0.543 188 Y N 1.176 121.599 120.300 0.206 0.000 2.097 188 Y HA -0.181 4.372 4.550 0.005 0.000 0.282 188 Y C 2.889 178.819 175.900 0.051 0.000 1.152 188 Y CA 1.884 59.984 58.100 0.000 0.000 1.136 188 Y CB -0.464 38.028 38.460 0.054 0.000 0.975 188 Y HN 0.046 nan 8.280 nan 0.000 0.498 189 V N -0.163 119.887 119.914 0.227 0.000 2.223 189 V HA -0.334 3.789 4.120 0.005 0.000 0.244 189 V C 2.381 178.579 176.094 0.172 0.000 1.045 189 V CA 1.951 64.373 62.300 0.203 0.000 1.000 189 V CB -1.053 30.912 31.823 0.238 0.000 0.635 189 V HN 0.355 nan 8.190 nan 0.000 0.445 190 L N 0.020 121.332 121.223 0.148 0.000 2.021 190 L HA -0.230 4.114 4.340 0.005 0.000 0.215 190 L C 2.430 179.321 176.870 0.036 0.000 1.074 190 L CA 2.146 57.034 54.840 0.081 0.000 0.760 190 L CB -1.065 41.051 42.059 0.096 0.000 0.889 190 L HN 0.335 nan 8.230 nan 0.000 0.433 191 K N -0.210 120.184 120.400 -0.010 0.000 2.063 191 K HA -0.151 4.172 4.320 0.005 0.000 0.208 191 K C 1.900 178.394 176.600 -0.177 0.000 1.048 191 K CA 1.436 57.670 56.287 -0.088 0.000 0.928 191 K CB -0.359 32.066 32.500 -0.124 0.000 0.713 191 K HN 0.297 nan 8.250 nan 0.000 0.442 192 N N -0.515 118.025 118.700 -0.267 0.000 2.289 192 N HA -0.148 4.595 4.740 0.005 0.000 0.184 192 N C 0.737 176.017 175.510 -0.383 0.000 1.016 192 N CA 0.984 53.789 53.050 -0.408 0.000 0.872 192 N CB -0.092 38.078 38.487 -0.530 0.000 0.973 192 N HN 0.287 nan 8.380 nan 0.000 0.433 193 Y N 0.037 120.243 120.300 -0.157 0.000 2.470 193 Y HA 0.223 4.776 4.550 0.005 0.000 0.302 193 Y C 1.542 177.395 175.900 -0.077 0.000 1.194 193 Y CA 0.161 58.208 58.100 -0.089 0.000 1.271 193 Y CB 0.038 38.475 38.460 -0.038 0.000 1.092 193 Y HN 0.103 nan 8.280 nan 0.000 0.513 194 G N -0.237 108.545 108.800 -0.030 0.000 2.141 194 G HA2 -0.248 3.715 3.960 0.005 0.000 0.242 194 G HA3 -0.248 3.715 3.960 0.005 0.000 0.242 194 G C -0.208 174.686 174.900 -0.009 0.000 0.982 194 G CA 0.116 45.203 45.100 -0.022 0.000 0.662 194 G HN 0.108 nan 8.290 nan 0.000 0.527 195 V N 1.384 121.293 119.914 -0.008 0.000 2.567 195 V HA 0.371 4.494 4.120 0.005 0.000 0.289 195 V C 0.309 176.401 176.094 -0.003 0.000 1.049 195 V CA -0.935 61.361 62.300 -0.007 0.000 0.969 195 V CB 1.544 33.361 31.823 -0.010 0.000 0.995 195 V HN 0.264 nan 8.190 nan 0.000 0.471 196 D N 3.112 123.513 120.400 0.002 0.000 2.383 196 D HA 0.315 4.958 4.640 0.005 0.000 0.252 196 D C -0.453 175.861 176.300 0.024 0.000 1.166 196 D CA 0.245 54.250 54.000 0.009 0.000 0.879 196 D CB 1.702 42.507 40.800 0.008 0.000 1.164 196 D HN 0.244 nan 8.370 nan 0.000 0.462 197 V N 2.546 122.482 119.914 0.037 0.000 2.588 197 V HA 0.399 4.522 4.120 0.005 0.000 0.304 197 V C 0.116 176.256 176.094 0.076 0.000 1.042 197 V CA -0.591 61.748 62.300 0.065 0.000 0.877 197 V CB 2.244 34.123 31.823 0.093 0.000 0.996 197 V HN 0.481 nan 8.190 nan 0.000 0.425 198 T N 5.955 120.553 114.554 0.073 0.000 2.879 198 T HA 0.666 5.019 4.350 0.005 0.000 0.290 198 T C -0.546 174.199 174.700 0.076 0.000 0.993 198 T CA -0.196 61.946 62.100 0.070 0.000 0.975 198 T CB 1.162 70.059 68.868 0.048 0.000 0.981 198 T HN 0.411 nan 8.240 nan 0.000 0.439 199 I N 3.008 123.628 120.570 0.084 0.000 2.406 199 I HA 0.509 4.682 4.170 0.005 0.000 0.290 199 I C -0.469 175.682 176.117 0.055 0.000 0.999 199 I CA -1.134 60.212 61.300 0.077 0.000 1.124 199 I CB 1.878 39.933 38.000 0.092 0.000 1.289 199 I HN 0.255 nan 8.210 nan 0.000 0.441 200 V N 4.909 124.853 119.914 0.050 0.000 2.435 200 V HA 0.463 4.586 4.120 0.005 0.000 0.290 200 V C -0.354 175.774 176.094 0.057 0.000 1.030 200 V CA -0.514 61.815 62.300 0.048 0.000 0.881 200 V CB 1.719 33.571 31.823 0.049 0.000 0.983 200 V HN 0.714 nan 8.190 nan 0.000 0.445 201 E N 2.624 122.858 120.200 0.057 0.000 2.260 201 E HA 0.356 4.709 4.350 0.005 0.000 0.266 201 E C -0.111 176.547 176.600 0.097 0.000 0.887 201 E CA -0.665 55.780 56.400 0.075 0.000 0.777 201 E CB 1.367 31.092 29.700 0.041 0.000 1.205 201 E HN 0.397 nan 8.360 nan 0.000 0.414 202 F N 4.758 124.707 119.950 -0.001 0.000 2.095 202 F HA 0.069 4.599 4.527 0.005 0.000 0.298 202 F C 0.433 176.232 175.800 -0.002 0.000 1.104 202 F CA 1.146 59.145 58.000 -0.002 0.000 1.232 202 F CB 0.088 39.086 39.000 -0.004 0.000 0.987 202 F HN 0.485 nan 8.300 nan 0.000 0.475 203 L N 0.931 122.186 121.223 0.053 0.000 2.479 203 L HA 0.015 4.358 4.340 0.005 0.000 0.270 203 L C -1.208 175.601 176.870 -0.102 0.000 1.236 203 L CA -1.330 53.481 54.840 -0.048 0.000 0.823 203 L CB -0.300 41.789 42.059 0.051 0.000 1.098 203 L HN -0.082 nan 8.230 nan 0.000 0.500 204 P HA -0.029 nan 4.420 nan 0.000 0.223 204 P C -0.537 176.733 177.300 -0.049 0.000 1.151 204 P CA 1.194 64.244 63.100 -0.084 0.000 0.787 204 P CB 0.366 32.021 31.700 -0.074 0.000 0.788 205 R N -1.106 119.374 120.500 -0.034 0.000 2.795 205 R HA 0.701 5.044 4.340 0.005 0.000 0.275 205 R C -0.578 175.708 176.300 -0.023 0.000 0.981 205 R CA -0.946 55.138 56.100 -0.026 0.000 0.917 205 R CB 1.520 31.807 30.300 -0.022 0.000 1.202 205 R HN -0.161 nan 8.270 nan 0.000 0.469 206 A N 1.746 124.543 122.820 -0.037 0.000 2.386 206 A HA 0.349 4.672 4.320 0.005 0.000 0.248 206 A C 0.345 177.900 177.584 -0.049 0.000 1.082 206 A CA -0.352 51.650 52.037 -0.058 0.000 0.789 206 A CB -0.055 18.874 19.000 -0.118 0.000 1.025 206 A HN 0.891 nan 8.150 nan 0.000 0.490 207 L N 0.180 121.378 121.223 -0.043 0.000 3.879 207 L HA -0.169 4.174 4.340 0.005 0.000 0.481 207 L C -1.150 175.717 176.870 -0.005 0.000 1.232 207 L CA 0.090 54.918 54.840 -0.020 0.000 0.736 207 L CB -1.284 40.752 42.059 -0.039 0.000 1.511 207 L HN 0.712 nan 8.230 nan 0.000 0.830 208 P HA -0.177 nan 4.420 nan 0.000 0.223 208 P C 0.899 178.206 177.300 0.012 0.000 1.144 208 P CA 1.569 64.675 63.100 0.009 0.000 0.783 208 P CB 0.118 31.833 31.700 0.024 0.000 0.771 209 N N -0.964 117.750 118.700 0.022 0.000 2.463 209 N HA -0.023 4.720 4.740 0.005 0.000 0.181 209 N C 0.864 176.387 175.510 0.021 0.000 1.078 209 N CA 0.521 53.587 53.050 0.027 0.000 0.902 209 N CB -0.135 38.378 38.487 0.044 0.000 0.970 209 N HN 0.225 nan 8.380 nan 0.000 0.451 210 E N 0.467 120.674 120.200 0.011 0.000 2.359 210 E HA 0.036 4.389 4.350 0.005 0.000 0.255 210 E C -0.312 176.249 176.600 -0.064 0.000 1.191 210 E CA -0.278 56.126 56.400 0.006 0.000 0.952 210 E CB 0.354 30.065 29.700 0.018 0.000 1.152 210 E HN 0.161 nan 8.360 nan 0.000 0.496 211 D N -0.413 119.892 120.400 -0.159 0.000 2.372 211 D HA 0.082 4.725 4.640 0.005 0.000 0.243 211 D C 0.726 176.962 176.300 -0.106 0.000 1.121 211 D CA 0.135 53.972 54.000 -0.272 0.000 0.898 211 D CB 1.385 41.824 40.800 -0.602 0.000 1.202 211 D HN 0.353 nan 8.370 nan 0.000 0.428 212 A N 4.143 126.907 122.820 -0.094 0.000 1.917 212 A HA -0.248 4.075 4.320 0.005 0.000 0.219 212 A C 1.645 179.225 177.584 -0.007 0.000 1.182 212 A CA 1.764 53.774 52.037 -0.045 0.000 0.633 212 A CB -0.321 18.648 19.000 -0.052 0.000 0.819 212 A HN 0.695 nan 8.150 nan 0.000 0.448 213 D N -0.474 119.922 120.400 -0.007 0.000 2.178 213 D HA -0.084 4.559 4.640 0.005 0.000 0.201 213 D C 1.967 178.422 176.300 0.258 0.000 0.980 213 D CA 1.334 55.364 54.000 0.050 0.000 0.842 213 D CB -0.343 40.393 40.800 -0.108 0.000 0.948 213 D HN 0.282 nan 8.370 nan 0.000 0.472 214 V N 0.522 120.584 119.914 0.247 0.000 2.453 214 V HA -0.146 3.977 4.120 0.005 0.000 0.247 214 V C 2.444 178.591 176.094 0.088 0.000 1.048 214 V CA 1.276 63.696 62.300 0.201 0.000 1.049 214 V CB -0.351 31.539 31.823 0.111 0.000 0.672 214 V HN 0.121 nan 8.190 nan 0.000 0.457 215 S N -0.340 115.389 115.700 0.049 0.000 2.382 215 S HA -0.231 4.242 4.470 0.005 0.000 0.228 215 S C 2.000 176.616 174.600 0.026 0.000 1.027 215 S CA 1.844 60.051 58.200 0.012 0.000 0.991 215 S CB -0.237 62.959 63.200 -0.006 0.000 0.823 215 S HN 0.619 nan 8.310 nan 0.000 0.469 216 K N 1.238 121.670 120.400 0.053 0.000 2.025 216 K HA -0.156 4.167 4.320 0.005 0.000 0.207 216 K C 2.165 178.819 176.600 0.090 0.000 1.049 216 K CA 1.552 57.875 56.287 0.060 0.000 0.933 216 K CB -0.187 32.346 32.500 0.056 0.000 0.714 216 K HN 0.096 nan 8.250 nan 0.000 0.438 217 E N 1.049 121.331 120.200 0.138 0.000 2.058 217 E HA -0.201 4.152 4.350 0.005 0.000 0.194 217 E C 1.819 178.491 176.600 0.121 0.000 0.997 217 E CA 1.380 57.872 56.400 0.153 0.000 0.801 217 E CB -0.351 29.479 29.700 0.216 0.000 0.746 217 E HN 0.355 nan 8.360 nan 0.000 0.450 218 I N 1.093 121.716 120.570 0.088 0.000 2.286 218 I HA -0.216 3.957 4.170 0.005 0.000 0.248 218 I C 1.998 178.190 176.117 0.125 0.000 1.115 218 I CA 1.499 62.858 61.300 0.099 0.000 1.392 218 I CB -0.241 37.753 38.000 -0.010 0.000 1.065 218 I HN 0.199 nan 8.210 nan 0.000 0.418 219 E N -0.288 119.945 120.200 0.056 0.000 2.150 219 E HA -0.267 4.086 4.350 0.005 0.000 0.193 219 E C 2.133 178.816 176.600 0.138 0.000 0.985 219 E CA 0.930 57.368 56.400 0.063 0.000 0.814 219 E CB -0.090 29.626 29.700 0.026 0.000 0.752 219 E HN 0.405 nan 8.360 nan 0.000 0.466 220 K N 0.587 121.065 120.400 0.130 0.000 2.103 220 K HA -0.155 4.168 4.320 0.005 0.000 0.204 220 K C 2.130 178.827 176.600 0.162 0.000 1.052 220 K CA 0.911 57.274 56.287 0.126 0.000 0.945 220 K CB 0.219 32.782 32.500 0.105 0.000 0.722 220 K HN 0.003 nan 8.250 nan 0.000 0.443 221 Q N -0.151 119.775 119.800 0.210 0.000 2.050 221 Q HA -0.157 4.186 4.340 0.005 0.000 0.202 221 Q C 2.095 178.255 176.000 0.267 0.000 0.980 221 Q CA 1.457 57.399 55.803 0.232 0.000 0.840 221 Q CB -0.309 28.592 28.738 0.272 0.000 0.898 221 Q HN 0.299 nan 8.270 nan 0.000 0.424 222 F N 1.374 121.387 119.950 0.106 0.000 2.134 222 F HA -0.136 4.394 4.527 0.005 0.000 0.299 222 F C 2.505 178.350 175.800 0.076 0.000 1.097 222 F CA 1.164 59.229 58.000 0.109 0.000 1.264 222 F CB -0.321 38.742 39.000 0.105 0.000 1.001 222 F HN 0.045 nan 8.300 nan 0.000 0.479 223 K N 0.665 121.211 120.400 0.244 0.000 2.103 223 K HA -0.253 4.070 4.320 0.005 0.000 0.207 223 K C 2.247 178.902 176.600 0.092 0.000 1.048 223 K CA 1.664 58.035 56.287 0.141 0.000 0.930 223 K CB -0.143 32.423 32.500 0.111 0.000 0.716 223 K HN 0.148 nan 8.250 nan 0.000 0.444 224 K N 0.435 120.890 120.400 0.092 0.000 2.097 224 K HA -0.135 4.188 4.320 0.005 0.000 0.205 224 K C 2.007 178.622 176.600 0.025 0.000 1.050 224 K CA 0.988 57.310 56.287 0.060 0.000 0.938 224 K CB -0.103 32.441 32.500 0.074 0.000 0.718 224 K HN 0.124 nan 8.250 nan 0.000 0.442 225 L N 0.157 121.384 121.223 0.007 0.000 2.353 225 L HA 0.012 4.355 4.340 0.005 0.000 0.220 225 L C 1.034 177.842 176.870 -0.103 0.000 1.133 225 L CA 2.037 56.818 54.840 -0.098 0.000 0.798 225 L CB -0.053 41.883 42.059 -0.205 0.000 0.922 225 L HN 0.547 nan 8.230 nan 0.000 0.445 226 G N -1.993 106.790 108.800 -0.029 0.000 2.179 226 G HA2 -0.193 3.770 3.960 0.005 0.000 0.220 226 G HA3 -0.193 3.770 3.960 0.005 0.000 0.220 226 G C 0.131 175.040 174.900 0.016 0.000 0.990 226 G CA 0.002 45.093 45.100 -0.016 0.000 0.646 226 G HN 0.220 nan 8.290 nan 0.000 0.517 227 V N 1.775 121.722 119.914 0.055 0.000 2.498 227 V HA 0.553 4.676 4.120 0.005 0.000 0.279 227 V C 0.765 176.944 176.094 0.140 0.000 1.048 227 V CA 0.179 62.552 62.300 0.122 0.000 0.967 227 V CB 1.538 33.509 31.823 0.246 0.000 0.988 227 V HN 0.261 nan 8.190 nan 0.000 0.473 228 T N 6.820 121.439 114.554 0.109 0.000 2.728 228 T HA 0.559 4.912 4.350 0.005 0.000 0.296 228 T C -0.142 174.613 174.700 0.092 0.000 0.940 228 T CA 0.062 62.215 62.100 0.088 0.000 1.013 228 T CB 0.104 69.008 68.868 0.059 0.000 0.912 228 T HN 0.386 nan 8.240 nan 0.000 0.484 229 I N 4.605 125.225 120.570 0.083 0.000 2.382 229 I HA 0.354 4.527 4.170 0.005 0.000 0.286 229 I C -0.462 175.677 176.117 0.036 0.000 1.002 229 I CA -0.769 60.567 61.300 0.059 0.000 1.135 229 I CB 1.448 39.473 38.000 0.043 0.000 1.288 229 I HN 0.365 nan 8.210 nan 0.000 0.448 230 L N 6.766 128.007 121.223 0.030 0.000 2.277 230 L HA 0.390 4.733 4.340 0.005 0.000 0.284 230 L C 0.468 177.342 176.870 0.006 0.000 1.028 230 L CA -0.507 54.344 54.840 0.018 0.000 0.835 230 L CB 1.023 43.095 42.059 0.021 0.000 1.215 230 L HN 0.605 nan 8.230 nan 0.000 0.425 231 T N -0.368 114.180 114.554 -0.010 0.000 2.902 231 T HA 0.584 4.937 4.350 0.005 0.000 0.280 231 T C 0.963 175.625 174.700 -0.063 0.000 0.992 231 T CA -0.089 61.992 62.100 -0.030 0.000 1.015 231 T CB 1.805 70.653 68.868 -0.033 0.000 1.044 231 T HN 0.778 nan 8.240 nan 0.000 0.520 232 A N 0.631 123.381 122.820 -0.117 0.000 2.783 232 A HA -0.099 4.224 4.320 0.005 0.000 0.292 232 A C 0.497 177.978 177.584 -0.171 0.000 1.495 232 A CA 0.868 52.777 52.037 -0.213 0.000 0.787 232 A CB -2.613 16.288 19.000 -0.165 0.000 1.017 232 A HN 1.094 nan 8.150 nan 0.000 0.516 233 T N 0.001 114.501 114.554 -0.090 0.000 2.812 233 T HA 0.513 4.866 4.350 0.005 0.000 0.282 233 T C -0.268 174.494 174.700 0.103 0.000 0.990 233 T CA -0.383 61.714 62.100 -0.006 0.000 0.960 233 T CB 1.636 70.513 68.868 0.015 0.000 0.948 233 T HN 0.559 nan 8.240 nan 0.000 0.438 234 K N 2.973 123.471 120.400 0.164 0.000 2.211 234 K HA 0.492 4.815 4.320 0.005 0.000 0.275 234 K C -0.629 176.055 176.600 0.140 0.000 1.024 234 K CA -0.593 55.869 56.287 0.293 0.000 0.887 234 K CB 0.801 33.522 32.500 0.368 0.000 1.084 234 K HN 0.334 nan 8.250 nan 0.000 0.463 235 V N 5.896 125.873 119.914 0.105 0.000 2.405 235 V HA 0.008 4.131 4.120 0.005 0.000 0.264 235 V C 0.999 177.109 176.094 0.027 0.000 1.048 235 V CA -0.008 62.322 62.300 0.049 0.000 0.966 235 V CB 0.876 32.716 31.823 0.028 0.000 1.015 235 V HN 0.894 nan 8.190 nan 0.000 0.477 236 E N 2.928 123.143 120.200 0.025 0.000 2.014 236 E HA 0.017 4.370 4.350 0.005 0.000 0.190 236 E C 0.906 177.506 176.600 -0.001 0.000 0.980 236 E CA 1.060 57.468 56.400 0.012 0.000 0.807 236 E CB 0.225 29.935 29.700 0.017 0.000 0.770 236 E HN 0.760 nan 8.360 nan 0.000 0.451 237 S N -0.423 115.277 115.700 0.000 0.000 2.627 237 S HA 0.692 5.165 4.470 0.005 0.000 0.283 237 S C -0.452 174.145 174.600 -0.006 0.000 1.127 237 S CA -0.913 57.283 58.200 -0.006 0.000 0.863 237 S CB 1.790 64.987 63.200 -0.005 0.000 1.121 237 S HN 0.088 nan 8.310 nan 0.000 0.479 238 I N 1.004 121.568 120.570 -0.010 0.000 2.468 238 I HA 0.594 4.767 4.170 0.005 0.000 0.285 238 I C -0.594 175.517 176.117 -0.011 0.000 1.039 238 I CA -0.816 60.477 61.300 -0.011 0.000 1.074 238 I CB 1.818 39.808 38.000 -0.016 0.000 1.228 238 I HN 0.913 nan 8.210 nan 0.000 0.436 239 A N 4.290 127.104 122.820 -0.009 0.000 2.285 239 A HA 0.461 4.784 4.320 0.005 0.000 0.310 239 A C -0.854 176.725 177.584 -0.009 0.000 1.266 239 A CA -0.485 51.547 52.037 -0.008 0.000 0.832 239 A CB 0.767 19.763 19.000 -0.006 0.000 1.163 239 A HN 0.643 nan 8.150 nan 0.000 0.499 240 D N 2.962 123.356 120.400 -0.011 0.000 2.411 240 D HA 0.370 5.013 4.640 0.005 0.000 0.225 240 D C 1.075 177.370 176.300 -0.009 0.000 1.156 240 D CA 0.328 54.322 54.000 -0.011 0.000 0.874 240 D CB 0.979 41.771 40.800 -0.014 0.000 1.034 240 D HN 0.465 nan 8.370 nan 0.000 0.502 241 G N 2.119 110.915 108.800 -0.008 0.000 3.314 241 G HA2 0.401 4.364 3.960 0.005 0.000 0.238 241 G HA3 0.401 4.364 3.960 0.005 0.000 0.238 241 G C 1.076 175.972 174.900 -0.006 0.000 1.184 241 G CA 0.265 45.361 45.100 -0.006 0.000 0.806 241 G HN 0.833 nan 8.290 nan 0.000 0.536 242 G N 0.756 109.551 108.800 -0.008 0.000 5.426 242 G HA2 -0.386 3.577 3.960 0.005 0.000 0.297 242 G HA3 -0.386 3.577 3.960 0.005 0.000 0.297 242 G C 1.993 176.889 174.900 -0.007 0.000 1.422 242 G CA 1.089 46.185 45.100 -0.008 0.000 0.938 242 G HN 1.281 nan 8.290 nan 0.000 0.754 243 S N 0.941 116.638 115.700 -0.006 0.000 2.469 243 S HA 0.269 4.742 4.470 0.005 0.000 0.238 243 S C 0.831 175.427 174.600 -0.005 0.000 0.998 243 S CA 2.188 60.385 58.200 -0.005 0.000 0.957 243 S CB -0.159 63.039 63.200 -0.004 0.000 0.764 243 S HN 1.952 nan 8.310 nan 0.000 0.514 244 Q N -1.446 118.351 119.800 -0.006 0.000 2.756 244 Q HA 0.710 5.053 4.340 0.005 0.000 0.295 244 Q C -1.851 174.145 176.000 -0.006 0.000 0.903 244 Q CA -1.038 54.762 55.803 -0.006 0.000 0.768 244 Q CB 1.417 30.153 28.738 -0.003 0.000 1.472 244 Q HN 0.009 nan 8.270 nan 0.000 0.416 245 V N 0.799 120.709 119.914 -0.006 0.000 2.540 245 V HA 0.756 4.879 4.120 0.005 0.000 0.302 245 V C -0.776 175.316 176.094 -0.004 0.000 1.035 245 V CA -0.513 61.783 62.300 -0.007 0.000 0.873 245 V CB 2.037 33.855 31.823 -0.010 0.000 0.992 245 V HN 0.868 nan 8.190 nan 0.000 0.428 246 T N 4.075 118.627 114.554 -0.003 0.000 2.758 246 T HA 0.509 4.862 4.350 0.005 0.000 0.285 246 T C -0.591 174.108 174.700 -0.000 0.000 0.981 246 T CA -0.265 61.835 62.100 -0.001 0.000 0.965 246 T CB 1.488 70.356 68.868 -0.000 0.000 0.927 246 T HN 0.533 nan 8.240 nan 0.000 0.448 247 V N 4.322 124.238 119.914 0.003 0.000 2.448 247 V HA 0.605 4.728 4.120 0.005 0.000 0.295 247 V C -0.311 175.788 176.094 0.008 0.000 1.025 247 V CA -0.275 62.028 62.300 0.004 0.000 0.859 247 V CB 1.774 33.600 31.823 0.005 0.000 0.988 247 V HN 0.924 nan 8.190 nan 0.000 0.431 248 T N 6.931 121.490 114.554 0.009 0.000 2.799 248 T HA 0.638 4.991 4.350 0.005 0.000 0.286 248 T C -0.337 174.374 174.700 0.019 0.000 0.973 248 T CA -0.151 61.957 62.100 0.012 0.000 1.035 248 T CB 1.261 70.135 68.868 0.010 0.000 0.932 248 T HN 1.140 nan 8.240 nan 0.000 0.469 249 V N 0.982 120.910 119.914 0.024 0.000 2.962 249 V HA 0.987 5.110 4.120 0.005 0.000 0.313 249 V C -0.266 175.848 176.094 0.033 0.000 1.099 249 V CA -0.971 61.349 62.300 0.034 0.000 0.971 249 V CB 1.936 33.781 31.823 0.036 0.000 1.028 249 V HN 0.956 nan 8.190 nan 0.000 0.430 250 T N 0.172 114.752 114.554 0.045 0.000 2.907 250 T HA 0.790 5.143 4.350 0.005 0.000 0.292 250 T C -0.823 173.895 174.700 0.030 0.000 1.043 250 T CA -0.719 61.403 62.100 0.036 0.000 1.003 250 T CB 2.064 70.957 68.868 0.042 0.000 1.084 250 T HN 1.169 nan 8.240 nan 0.000 0.483 251 K N 1.483 121.890 120.400 0.012 0.000 2.635 251 K HA 0.334 4.657 4.320 0.005 0.000 0.266 251 K C -1.472 175.122 176.600 -0.010 0.000 1.033 251 K CA -0.458 55.824 56.287 -0.009 0.000 0.919 251 K CB 0.765 33.255 32.500 -0.016 0.000 1.289 251 K HN 0.750 nan 8.250 nan 0.000 0.463 252 D N 3.274 123.665 120.400 -0.014 0.000 2.746 252 D HA -0.154 4.489 4.640 0.005 0.000 0.241 252 D C 0.728 177.027 176.300 -0.001 0.000 1.140 252 D CA 1.959 55.953 54.000 -0.011 0.000 0.707 252 D CB -1.202 39.589 40.800 -0.015 0.000 1.034 252 D HN 1.083 nan 8.370 nan 0.000 0.423 253 G N -1.538 107.265 108.800 0.005 0.000 2.219 253 G HA2 -0.310 3.653 3.960 0.005 0.000 0.271 253 G HA3 -0.310 3.653 3.960 0.005 0.000 0.271 253 G C 0.431 175.335 174.900 0.007 0.000 0.991 253 G CA 0.663 45.768 45.100 0.008 0.000 0.685 253 G HN 0.752 nan 8.290 nan 0.000 0.531 254 V N 0.423 120.340 119.914 0.006 0.000 2.378 254 V HA 0.781 4.904 4.120 0.005 0.000 0.288 254 V C 0.531 176.631 176.094 0.009 0.000 1.016 254 V CA -0.449 61.854 62.300 0.006 0.000 0.840 254 V CB 1.336 33.161 31.823 0.003 0.000 0.994 254 V HN 0.881 nan 8.190 nan 0.000 0.431 255 A N 5.191 128.017 122.820 0.010 0.000 2.295 255 A HA 0.910 5.233 4.320 0.005 0.000 0.318 255 A C -0.324 177.267 177.584 0.011 0.000 1.134 255 A CA -0.547 51.497 52.037 0.013 0.000 0.827 255 A CB 1.239 20.247 19.000 0.013 0.000 1.136 255 A HN 0.953 nan 8.150 nan 0.000 0.493 256 Q N 0.527 120.335 119.800 0.012 0.000 2.377 256 Q HA 0.577 4.920 4.340 0.005 0.000 0.279 256 Q C -1.644 174.363 176.000 0.012 0.000 1.049 256 Q CA -0.734 55.076 55.803 0.011 0.000 0.825 256 Q CB 1.631 30.375 28.738 0.011 0.000 1.401 256 Q HN 0.646 nan 8.270 nan 0.000 0.404 257 E N 2.460 122.666 120.200 0.010 0.000 2.156 257 E HA 0.432 4.785 4.350 0.005 0.000 0.279 257 E C -0.774 175.832 176.600 0.010 0.000 0.965 257 E CA -0.569 55.836 56.400 0.009 0.000 0.789 257 E CB 1.625 31.329 29.700 0.007 0.000 1.098 257 E HN 0.410 nan 8.360 nan 0.000 0.397 258 L N 2.829 124.059 121.223 0.011 0.000 2.334 258 L HA 0.523 4.866 4.340 0.005 0.000 0.275 258 L C 0.040 176.915 176.870 0.009 0.000 1.036 258 L CA -0.698 54.149 54.840 0.012 0.000 0.807 258 L CB 0.943 43.011 42.059 0.015 0.000 1.231 258 L HN 0.323 nan 8.230 nan 0.000 0.438 259 K N 1.696 122.100 120.400 0.008 0.000 2.464 259 K HA 0.896 5.219 4.320 0.005 0.000 0.253 259 K C -1.257 175.346 176.600 0.005 0.000 0.933 259 K CA -0.632 55.658 56.287 0.005 0.000 0.801 259 K CB 2.733 35.235 32.500 0.004 0.000 1.271 259 K HN 0.726 nan 8.250 nan 0.000 0.430 260 A N 1.041 123.862 122.820 0.002 0.000 2.586 260 A HA 0.270 4.593 4.320 0.005 0.000 0.290 260 A C 0.071 177.653 177.584 -0.003 0.000 1.086 260 A CA -0.621 51.417 52.037 0.001 0.000 0.665 260 A CB 1.264 20.266 19.000 0.004 0.000 1.279 260 A HN 0.837 nan 8.150 nan 0.000 0.423 261 E N -0.133 120.064 120.200 -0.005 0.000 2.106 261 E HA -0.067 4.286 4.350 0.005 0.000 0.192 261 E C 0.040 176.632 176.600 -0.013 0.000 0.984 261 E CA 1.145 57.539 56.400 -0.009 0.000 0.806 261 E CB 0.065 29.758 29.700 -0.011 0.000 0.750 261 E HN 0.392 nan 8.360 nan 0.000 0.458 262 K N -0.553 119.839 120.400 -0.014 0.000 2.509 262 K HA 0.428 4.751 4.320 0.005 0.000 0.266 262 K C -1.409 175.180 176.600 -0.019 0.000 0.987 262 K CA -0.811 55.464 56.287 -0.020 0.000 0.868 262 K CB 2.269 34.754 32.500 -0.025 0.000 1.421 262 K HN -0.070 nan 8.250 nan 0.000 0.444 263 V N 1.790 121.687 119.914 -0.027 0.000 2.668 263 V HA 0.441 4.564 4.120 0.005 0.000 0.304 263 V C -1.719 174.345 176.094 -0.049 0.000 1.071 263 V CA -0.950 61.333 62.300 -0.028 0.000 0.894 263 V CB 1.728 33.538 31.823 -0.020 0.000 1.008 263 V HN 0.641 nan 8.190 nan 0.000 0.425 264 L N 6.501 127.687 121.223 -0.061 0.000 2.275 264 L HA 0.577 4.920 4.340 0.005 0.000 0.288 264 L C 0.076 176.901 176.870 -0.076 0.000 1.046 264 L CA 0.342 55.121 54.840 -0.103 0.000 0.805 264 L CB 1.580 43.531 42.059 -0.178 0.000 1.193 264 L HN 0.735 nan 8.230 nan 0.000 0.426 265 Q N 5.274 125.026 119.800 -0.079 0.000 2.337 265 Q HA 0.545 4.888 4.340 0.005 0.000 0.255 265 Q C -0.413 175.538 176.000 -0.081 0.000 0.997 265 Q CA 0.054 55.812 55.803 -0.076 0.000 0.925 265 Q CB 1.482 30.170 28.738 -0.084 0.000 1.212 265 Q HN 0.799 nan 8.270 nan 0.000 0.436 266 A N 3.488 126.265 122.820 -0.072 0.000 3.165 266 A HA 0.208 4.531 4.320 0.005 0.000 0.212 266 A C 0.581 178.131 177.584 -0.057 0.000 0.935 266 A CA -0.328 51.675 52.037 -0.055 0.000 1.100 266 A CB -0.364 18.694 19.000 0.097 0.000 1.260 266 A HN 0.817 nan 8.150 nan 0.000 0.532 267 I N -3.690 116.803 120.570 -0.129 0.000 3.728 267 I HA 0.570 4.743 4.170 0.005 0.000 0.307 267 I C 0.700 176.762 176.117 -0.092 0.000 1.276 267 I CA 0.494 61.750 61.300 -0.074 0.000 1.285 267 I CB 0.444 38.402 38.000 -0.071 0.000 1.038 267 I HN 0.393 nan 8.210 nan 0.000 0.445 268 G N 0.878 109.525 108.800 -0.255 0.000 2.313 268 G HA2 0.427 4.390 3.960 0.005 0.000 0.296 268 G HA3 0.427 4.390 3.960 0.005 0.000 0.296 268 G C -1.945 172.622 174.900 -0.554 0.000 1.356 268 G CA -0.772 44.221 45.100 -0.179 0.000 0.833 268 G HN 0.051 nan 8.290 nan 0.000 0.552 269 F N 0.527 120.505 119.950 0.047 0.000 2.579 269 F HA 0.704 5.234 4.527 0.005 0.000 0.325 269 F C 0.556 176.384 175.800 0.045 0.000 1.162 269 F CA -0.466 57.569 58.000 0.058 0.000 0.946 269 F CB 2.327 41.364 39.000 0.061 0.000 1.211 269 F HN 0.778 nan 8.300 nan 0.000 0.447 270 A N 4.526 127.439 122.820 0.154 0.000 2.331 270 A HA 0.745 5.068 4.320 0.005 0.000 0.283 270 A C -2.663 175.000 177.584 0.132 0.000 1.142 270 A CA -1.771 50.331 52.037 0.109 0.000 0.812 270 A CB 0.201 19.237 19.000 0.060 0.000 1.074 270 A HN 0.415 nan 8.150 nan 0.000 0.497 271 P HA 0.009 nan 4.420 nan 0.000 0.265 271 P C -0.605 176.770 177.300 0.126 0.000 1.193 271 P CA 0.243 63.407 63.100 0.107 0.000 0.765 271 P CB 0.180 31.927 31.700 0.079 0.000 0.823 272 N N 1.740 120.533 118.700 0.154 0.000 2.400 272 N HA 0.088 4.831 4.740 0.005 0.000 0.267 272 N C 0.839 176.534 175.510 0.307 0.000 1.208 272 N CA -0.354 52.823 53.050 0.211 0.000 0.951 272 N CB 0.239 38.843 38.487 0.196 0.000 1.227 272 N HN 0.257 nan 8.380 nan 0.000 0.488 273 V N -0.714 119.321 119.914 0.202 0.000 3.502 273 V HA 0.158 4.281 4.120 0.005 0.000 0.288 273 V C 0.307 176.315 176.094 -0.142 0.000 1.461 273 V CA -0.051 62.294 62.300 0.075 0.000 1.029 273 V CB -0.315 31.522 31.823 0.023 0.000 0.843 273 V HN 0.507 nan 8.190 nan 0.000 0.438 274 E N 0.349 120.539 120.200 -0.017 0.000 2.227 274 E HA 0.696 5.049 4.350 0.005 0.000 0.268 274 E C 0.601 177.234 176.600 0.056 0.000 0.907 274 E CA -0.555 55.805 56.400 -0.065 0.000 0.786 274 E CB 1.757 31.451 29.700 -0.010 0.000 1.191 274 E HN 0.537 nan 8.360 nan 0.000 0.411 275 G N 1.428 110.249 108.800 0.034 0.000 2.184 275 G HA2 -0.291 3.672 3.960 0.005 0.000 0.206 275 G HA3 -0.291 3.672 3.960 0.005 0.000 0.206 275 G C -0.043 175.080 174.900 0.372 0.000 0.995 275 G CA 0.257 45.473 45.100 0.193 0.000 0.651 275 G HN 0.714 nan 8.290 nan 0.000 0.511 276 Y N -1.648 118.767 120.300 0.192 0.000 2.742 276 Y HA 0.506 5.059 4.550 0.005 0.000 0.248 276 Y C 1.213 177.220 175.900 0.177 0.000 1.132 276 Y CA -0.948 57.248 58.100 0.160 0.000 1.142 276 Y CB 0.131 38.584 38.460 -0.010 0.000 1.222 276 Y HN 1.347 nan 8.280 nan 0.000 0.575 277 G N 1.932 110.782 108.800 0.083 0.000 2.314 277 G HA2 -0.296 3.667 3.960 0.005 0.000 0.292 277 G HA3 -0.296 3.667 3.960 0.005 0.000 0.292 277 G C 0.520 175.491 174.900 0.118 0.000 1.059 277 G CA 0.707 45.877 45.100 0.116 0.000 0.982 277 G HN 0.621 nan 8.290 nan 0.000 0.505 278 L N -0.058 121.111 121.223 -0.090 0.000 2.141 278 L HA -0.041 4.302 4.340 0.005 0.000 0.209 278 L C 2.857 179.664 176.870 -0.104 0.000 1.094 278 L CA 1.667 56.436 54.840 -0.118 0.000 0.763 278 L CB -0.280 41.646 42.059 -0.222 0.000 0.908 278 L HN 0.610 nan 8.230 nan 0.000 0.437 279 D N 0.243 120.601 120.400 -0.069 0.000 2.144 279 D HA -0.240 4.403 4.640 0.005 0.000 0.199 279 D C 1.737 178.022 176.300 -0.024 0.000 0.984 279 D CA 1.238 55.210 54.000 -0.047 0.000 0.834 279 D CB -0.240 40.541 40.800 -0.033 0.000 0.955 279 D HN 0.245 nan 8.370 nan 0.000 0.465 280 K N 0.156 120.564 120.400 0.013 0.000 2.365 280 K HA 0.140 4.463 4.320 0.005 0.000 0.199 280 K C 2.004 178.617 176.600 0.021 0.000 1.045 280 K CA 0.830 57.141 56.287 0.041 0.000 0.962 280 K CB 0.115 32.673 32.500 0.097 0.000 0.759 280 K HN 0.200 nan 8.250 nan 0.000 0.469 281 A N 0.140 122.926 122.820 -0.057 0.000 2.095 281 A HA 0.214 4.537 4.320 0.005 0.000 0.212 281 A C 1.425 178.924 177.584 -0.142 0.000 1.162 281 A CA 0.790 52.725 52.037 -0.170 0.000 0.753 281 A CB -0.028 18.622 19.000 -0.584 0.000 0.840 281 A HN 0.331 nan 8.150 nan 0.000 0.468 282 G N -1.161 107.572 108.800 -0.112 0.000 2.132 282 G HA2 -0.165 3.798 3.960 0.005 0.000 0.228 282 G HA3 -0.165 3.798 3.960 0.005 0.000 0.228 282 G C 0.049 174.882 174.900 -0.112 0.000 1.000 282 G CA 0.066 45.115 45.100 -0.087 0.000 0.693 282 G HN 0.787 nan 8.290 nan 0.000 0.515 283 V N 1.257 121.081 119.914 -0.151 0.000 2.427 283 V HA 0.618 4.741 4.120 0.005 0.000 0.268 283 V C 1.067 177.103 176.094 -0.098 0.000 1.046 283 V CA 0.039 62.253 62.300 -0.143 0.000 0.970 283 V CB 0.826 32.541 31.823 -0.180 0.000 1.001 283 V HN 1.011 nan 8.190 nan 0.000 0.476 284 A N 6.672 129.445 122.820 -0.078 0.000 2.322 284 A HA 0.772 5.095 4.320 0.005 0.000 0.269 284 A C -0.327 177.228 177.584 -0.049 0.000 1.094 284 A CA -0.379 51.623 52.037 -0.058 0.000 0.807 284 A CB 0.418 19.389 19.000 -0.049 0.000 1.047 284 A HN 0.783 nan 8.150 nan 0.000 0.487 285 L N 0.420 121.619 121.223 -0.040 0.000 2.313 285 L HA 0.548 4.891 4.340 0.005 0.000 0.268 285 L C 1.041 177.896 176.870 -0.025 0.000 1.010 285 L CA -0.833 53.989 54.840 -0.030 0.000 0.814 285 L CB 2.033 44.075 42.059 -0.027 0.000 1.304 285 L HN 0.939 nan 8.230 nan 0.000 0.441 286 T N -4.286 110.256 114.554 -0.020 0.000 2.810 286 T HA 0.121 4.474 4.350 0.005 0.000 0.277 286 T C 0.596 175.287 174.700 -0.015 0.000 0.973 286 T CA -0.649 61.440 62.100 -0.018 0.000 0.949 286 T CB 0.867 69.724 68.868 -0.018 0.000 1.075 286 T HN 0.490 nan 8.240 nan 0.000 0.537 287 D N -0.125 120.267 120.400 -0.013 0.000 2.264 287 D HA -0.037 4.606 4.640 0.005 0.000 0.208 287 D C 1.746 178.040 176.300 -0.010 0.000 0.966 287 D CA 0.842 54.835 54.000 -0.012 0.000 0.864 287 D CB -0.005 40.789 40.800 -0.010 0.000 0.933 287 D HN 0.508 nan 8.370 nan 0.000 0.499 288 R N 0.853 121.349 120.500 -0.008 0.000 2.363 288 R HA 0.069 4.412 4.340 0.005 0.000 0.236 288 R C 0.159 176.459 176.300 0.000 0.000 0.966 288 R CA -0.110 55.987 56.100 -0.004 0.000 1.100 288 R CB 0.307 30.606 30.300 -0.002 0.000 1.125 288 R HN -0.066 nan 8.270 nan 0.000 0.514 289 K N -0.443 119.955 120.400 -0.003 0.000 3.096 289 K HA -0.190 4.133 4.320 0.005 0.000 0.266 289 K C -0.601 176.005 176.600 0.010 0.000 1.043 289 K CA 0.968 57.255 56.287 0.000 0.000 0.758 289 K CB -1.694 30.808 32.500 0.003 0.000 1.260 289 K HN 0.372 nan 8.250 nan 0.000 0.481 290 A N 0.462 123.285 122.820 0.005 0.000 2.356 290 A HA 0.702 5.025 4.320 0.005 0.000 0.323 290 A C 0.405 177.990 177.584 0.002 0.000 1.119 290 A CA -0.796 51.248 52.037 0.011 0.000 0.790 290 A CB 0.884 19.887 19.000 0.005 0.000 1.273 290 A HN 0.275 nan 8.150 nan 0.000 0.452 291 I N 2.588 123.164 120.570 0.010 0.000 2.578 291 I HA 0.107 4.280 4.170 0.005 0.000 0.286 291 I C 1.399 177.505 176.117 -0.018 0.000 1.126 291 I CA 0.250 61.550 61.300 -0.000 0.000 1.380 291 I CB 0.060 38.072 38.000 0.020 0.000 1.408 291 I HN 0.780 nan 8.210 nan 0.000 0.532 292 G N 5.606 114.389 108.800 -0.029 0.000 2.414 292 G HA2 0.318 4.282 3.960 0.005 0.000 0.236 292 G HA3 0.318 4.282 3.960 0.005 0.000 0.236 292 G C -0.502 174.374 174.900 -0.041 0.000 1.293 292 G CA -0.097 44.982 45.100 -0.035 0.000 0.869 292 G HN 0.435 nan 8.290 nan 0.000 0.556 293 V N 2.528 122.417 119.914 -0.041 0.000 3.178 293 V HA 0.453 4.576 4.120 0.005 0.000 0.302 293 V C -0.909 175.169 176.094 -0.027 0.000 1.262 293 V CA -0.716 61.562 62.300 -0.037 0.000 1.030 293 V CB 2.434 34.241 31.823 -0.026 0.000 1.074 293 V HN 1.062 nan 8.190 nan 0.000 0.438 294 D N 1.356 121.753 120.400 -0.006 0.000 2.539 294 D HA 0.260 4.903 4.640 0.005 0.000 0.276 294 D C 0.475 176.792 176.300 0.029 0.000 1.206 294 D CA -0.286 53.728 54.000 0.024 0.000 1.081 294 D CB 0.519 41.357 40.800 0.063 0.000 1.142 294 D HN 0.372 nan 8.370 nan 0.000 0.595 295 D N -1.662 118.748 120.400 0.015 0.000 2.309 295 D HA -0.120 4.523 4.640 0.005 0.000 0.212 295 D C 0.494 176.639 176.300 -0.258 0.000 0.968 295 D CA 1.054 54.976 54.000 -0.129 0.000 0.882 295 D CB -0.213 40.444 40.800 -0.239 0.000 0.918 295 D HN 0.392 nan 8.370 nan 0.000 0.503 296 Y N -0.668 119.670 120.300 0.064 0.000 2.607 296 Y HA 0.196 4.749 4.550 0.005 0.000 0.266 296 Y C 0.925 176.931 175.900 0.177 0.000 1.178 296 Y CA -0.298 57.871 58.100 0.114 0.000 1.226 296 Y CB 0.150 38.685 38.460 0.124 0.000 1.144 296 Y HN -0.258 nan 8.280 nan 0.000 0.528 297 M N -0.968 118.750 119.600 0.196 0.000 2.899 297 M HA -0.284 4.199 4.480 0.005 0.000 0.195 297 M C -0.277 176.073 176.300 0.084 0.000 0.603 297 M CA 0.899 56.306 55.300 0.180 0.000 0.712 297 M CB -2.010 30.744 32.600 0.257 0.000 2.569 297 M HN 0.310 nan 8.290 nan 0.000 0.406 298 R N 0.908 121.345 120.500 -0.104 0.000 2.441 298 R HA 0.457 4.800 4.340 0.005 0.000 0.284 298 R C 1.311 177.474 176.300 -0.229 0.000 1.070 298 R CA 0.517 56.345 56.100 -0.453 0.000 1.047 298 R CB 0.963 30.997 30.300 -0.444 0.000 1.016 298 R HN 0.444 nan 8.270 nan 0.000 0.477 299 T N -1.236 113.169 114.554 -0.249 0.000 2.900 299 T HA -0.003 4.350 4.350 0.005 0.000 0.326 299 T C 1.245 175.859 174.700 -0.142 0.000 1.145 299 T CA -0.503 61.505 62.100 -0.153 0.000 0.963 299 T CB 0.284 69.062 68.868 -0.150 0.000 1.512 299 T HN 0.692 nan 8.240 nan 0.000 0.552 300 N N -0.296 118.336 118.700 -0.114 0.000 2.521 300 N HA -0.006 4.737 4.740 0.005 0.000 0.188 300 N C -0.219 175.233 175.510 -0.098 0.000 1.146 300 N CA 0.009 53.005 53.050 -0.089 0.000 0.893 300 N CB -0.157 38.288 38.487 -0.069 0.000 0.975 300 N HN 0.351 nan 8.380 nan 0.000 0.451 301 V N 1.296 121.123 119.914 -0.145 0.000 2.284 301 V HA 0.347 4.470 4.120 0.005 0.000 0.274 301 V C 1.706 177.688 176.094 -0.187 0.000 1.023 301 V CA -0.640 61.566 62.300 -0.155 0.000 0.808 301 V CB 0.529 32.209 31.823 -0.239 0.000 1.035 301 V HN 0.249 nan 8.190 nan 0.000 0.445 302 G N 3.683 112.445 108.800 -0.063 0.000 2.873 302 G HA2 -0.344 3.619 3.960 0.005 0.000 0.233 302 G HA3 -0.344 3.619 3.960 0.005 0.000 0.233 302 G C 1.109 176.000 174.900 -0.016 0.000 1.124 302 G CA 1.947 47.030 45.100 -0.029 0.000 0.747 302 G HN 0.970 nan 8.290 nan 0.000 0.644 303 H N -0.505 118.577 119.070 0.020 0.000 2.539 303 H HA 0.374 4.933 4.556 0.005 0.000 0.269 303 H C 0.687 176.168 175.328 0.254 0.000 0.980 303 H CA -0.297 55.858 56.048 0.178 0.000 1.152 303 H CB -0.120 29.766 29.762 0.206 0.000 1.407 303 H HN 0.315 nan 8.280 nan 0.000 0.564 304 I N 1.984 122.404 120.570 -0.250 0.000 2.339 304 I HA 0.210 4.383 4.170 0.005 0.000 0.290 304 I C -0.868 175.182 176.117 -0.111 0.000 0.994 304 I CA -0.902 60.327 61.300 -0.118 0.000 1.191 304 I CB 0.987 38.804 38.000 -0.304 0.000 1.343 304 I HN -0.107 nan 8.210 nan 0.000 0.458 305 Y N 4.227 124.502 120.300 -0.042 0.000 2.528 305 Y HA 0.754 5.307 4.550 0.005 0.000 0.335 305 Y C 0.270 176.161 175.900 -0.016 0.000 1.093 305 Y CA -1.218 56.872 58.100 -0.016 0.000 1.134 305 Y CB 1.802 40.266 38.460 0.006 0.000 1.253 305 Y HN 0.521 nan 8.280 nan 0.000 0.478 306 A N 3.075 125.977 122.820 0.136 0.000 2.353 306 A HA 0.828 5.151 4.320 0.005 0.000 0.299 306 A C -0.995 176.629 177.584 0.066 0.000 1.089 306 A CA -0.579 51.504 52.037 0.075 0.000 0.736 306 A CB 0.355 19.377 19.000 0.036 0.000 1.195 306 A HN 0.743 nan 8.150 nan 0.000 0.447 307 I N -0.492 120.101 120.570 0.039 0.000 2.969 307 I HA 0.959 5.132 4.170 0.005 0.000 0.307 307 I C 0.388 176.498 176.117 -0.011 0.000 1.149 307 I CA -0.271 61.039 61.300 0.017 0.000 1.008 307 I CB 2.172 40.175 38.000 0.004 0.000 1.232 307 I HN 1.751 nan 8.210 nan 0.000 0.435 308 G N 3.320 112.107 108.800 -0.021 0.000 2.615 308 G HA2 -0.216 3.747 3.960 0.005 0.000 0.218 308 G HA3 -0.216 3.747 3.960 0.005 0.000 0.218 308 G C -0.123 174.761 174.900 -0.027 0.000 1.339 308 G CA 0.412 45.489 45.100 -0.039 0.000 0.884 308 G HN 0.812 nan 8.290 nan 0.000 0.559 309 D N -0.638 119.743 120.400 -0.031 0.000 2.221 309 D HA -0.044 4.599 4.640 0.005 0.000 0.204 309 D C 2.491 178.800 176.300 0.016 0.000 0.982 309 D CA 1.287 55.280 54.000 -0.012 0.000 0.857 309 D CB -0.221 40.570 40.800 -0.016 0.000 0.934 309 D HN 0.534 nan 8.370 nan 0.000 0.475 310 V N 2.031 121.957 119.914 0.020 0.000 2.688 310 V HA -0.222 3.901 4.120 0.005 0.000 0.256 310 V C 1.510 177.624 176.094 0.033 0.000 1.084 310 V CA 2.098 64.425 62.300 0.045 0.000 1.103 310 V CB -0.552 31.305 31.823 0.056 0.000 0.688 310 V HN 0.415 nan 8.190 nan 0.000 0.480 311 N N -0.851 117.854 118.700 0.008 0.000 2.280 311 N HA 0.126 4.869 4.740 0.005 0.000 0.192 311 N C 1.376 176.870 175.510 -0.027 0.000 1.109 311 N CA 0.676 53.719 53.050 -0.012 0.000 0.855 311 N CB 0.419 38.889 38.487 -0.028 0.000 0.974 311 N HN 0.444 nan 8.380 nan 0.000 0.482 312 G N 1.688 110.481 108.800 -0.011 0.000 2.296 312 G HA2 -0.291 3.672 3.960 0.005 0.000 0.282 312 G HA3 -0.291 3.672 3.960 0.005 0.000 0.282 312 G C 0.655 175.533 174.900 -0.037 0.000 1.014 312 G CA 0.710 45.806 45.100 -0.007 0.000 0.812 312 G HN 0.364 nan 8.290 nan 0.000 0.508 313 L N -1.682 119.490 121.223 -0.085 0.000 2.023 313 L HA 0.330 4.673 4.340 0.005 0.000 0.205 313 L C 1.527 178.364 176.870 -0.056 0.000 1.073 313 L CA 0.998 55.742 54.840 -0.159 0.000 0.745 313 L CB 0.088 41.890 42.059 -0.428 0.000 0.900 313 L HN 0.303 nan 8.230 nan 0.000 0.435 314 L N 0.322 121.543 121.223 -0.003 0.000 2.595 314 L HA 0.195 4.538 4.340 0.005 0.000 0.259 314 L C -0.662 176.197 176.870 -0.018 0.000 1.033 314 L CA -0.348 54.511 54.840 0.032 0.000 0.901 314 L CB 1.423 43.545 42.059 0.105 0.000 1.151 314 L HN 0.176 nan 8.230 nan 0.000 0.453 315 Q N 3.973 123.762 119.800 -0.019 0.000 2.903 315 Q HA 0.219 4.562 4.340 0.005 0.000 0.243 315 Q C -0.977 174.969 176.000 -0.090 0.000 1.366 315 Q CA 0.077 55.850 55.803 -0.050 0.000 0.898 315 Q CB 0.066 28.789 28.738 -0.026 0.000 1.718 315 Q HN 0.272 nan 8.270 nan 0.000 0.557 316 L N -0.723 120.418 121.223 -0.136 0.000 2.393 316 L HA 0.423 4.766 4.340 0.005 0.000 0.260 316 L C 0.746 177.486 176.870 -0.217 0.000 1.002 316 L CA -0.368 54.361 54.840 -0.184 0.000 0.818 316 L CB 1.269 43.142 42.059 -0.310 0.000 1.369 316 L HN 0.304 nan 8.230 nan 0.000 0.412 317 A N 1.081 123.827 122.820 -0.122 0.000 1.858 317 A HA -0.164 4.159 4.320 0.005 0.000 0.216 317 A C 1.871 179.410 177.584 -0.076 0.000 1.190 317 A CA 1.794 53.786 52.037 -0.074 0.000 0.617 317 A CB -0.902 18.094 19.000 -0.006 0.000 0.827 317 A HN 0.915 nan 8.150 nan 0.000 0.443 318 H N -0.912 118.140 119.070 -0.029 0.000 2.421 318 H HA -0.051 4.508 4.556 0.005 0.000 0.298 318 H C 1.969 177.277 175.328 -0.034 0.000 1.087 318 H CA 1.642 57.672 56.048 -0.031 0.000 1.330 318 H CB -1.212 28.543 29.762 -0.012 0.000 1.388 318 H HN 0.236 nan 8.280 nan 0.000 0.526 319 V N 1.903 121.570 119.914 -0.412 0.000 2.307 319 V HA -0.197 3.926 4.120 0.005 0.000 0.245 319 V C 3.210 179.241 176.094 -0.105 0.000 1.045 319 V CA 1.572 63.741 62.300 -0.218 0.000 1.024 319 V CB -1.123 30.571 31.823 -0.215 0.000 0.651 319 V HN 0.637 nan 8.190 nan 0.000 0.449 320 A N -0.290 122.458 122.820 -0.121 0.000 1.873 320 A HA -0.305 4.018 4.320 0.005 0.000 0.218 320 A C 2.162 179.687 177.584 -0.099 0.000 1.193 320 A CA 2.252 54.233 52.037 -0.092 0.000 0.629 320 A CB -0.621 18.315 19.000 -0.107 0.000 0.826 320 A HN 0.621 nan 8.150 nan 0.000 0.447 321 E N -0.549 119.581 120.200 -0.116 0.000 2.049 321 E HA -0.200 4.153 4.350 0.005 0.000 0.198 321 E C 2.404 178.954 176.600 -0.083 0.000 1.007 321 E CA 1.152 57.474 56.400 -0.130 0.000 0.809 321 E CB -0.357 29.277 29.700 -0.110 0.000 0.749 321 E HN 0.619 nan 8.360 nan 0.000 0.450 322 A N 1.268 124.058 122.820 -0.050 0.000 1.892 322 A HA -0.298 4.025 4.320 0.005 0.000 0.218 322 A C 2.059 179.626 177.584 -0.029 0.000 1.188 322 A CA 1.816 53.833 52.037 -0.034 0.000 0.631 322 A CB -0.613 18.367 19.000 -0.033 0.000 0.822 322 A HN 0.247 nan 8.150 nan 0.000 0.447 323 Q N -0.875 118.914 119.800 -0.018 0.000 2.167 323 Q HA -0.073 4.270 4.340 0.005 0.000 0.202 323 Q C 2.205 178.201 176.000 -0.006 0.000 0.970 323 Q CA 0.964 56.775 55.803 0.014 0.000 0.855 323 Q CB -0.424 28.340 28.738 0.044 0.000 0.911 323 Q HN 0.696 nan 8.270 nan 0.000 0.438 324 G N 0.648 109.421 108.800 -0.045 0.000 2.446 324 G HA2 -0.241 3.722 3.960 0.005 0.000 0.217 324 G HA3 -0.241 3.722 3.960 0.005 0.000 0.217 324 G C 1.531 176.392 174.900 -0.066 0.000 1.168 324 G CA 0.937 45.995 45.100 -0.071 0.000 0.771 324 G HN 0.210 nan 8.290 nan 0.000 0.551 325 V N 0.474 120.355 119.914 -0.054 0.000 2.287 325 V HA -0.193 3.930 4.120 0.005 0.000 0.248 325 V C 3.049 179.132 176.094 -0.018 0.000 1.053 325 V CA 1.594 63.872 62.300 -0.038 0.000 1.027 325 V CB -0.542 31.266 31.823 -0.025 0.000 0.646 325 V HN 0.242 nan 8.190 nan 0.000 0.447 326 V N 0.190 120.106 119.914 0.002 0.000 2.332 326 V HA -0.293 3.830 4.120 0.005 0.000 0.248 326 V C 2.692 178.820 176.094 0.055 0.000 1.055 326 V CA 2.127 64.453 62.300 0.043 0.000 1.038 326 V CB -1.110 30.741 31.823 0.046 0.000 0.651 326 V HN 0.578 nan 8.190 nan 0.000 0.450 327 A N -0.157 122.666 122.820 0.006 0.000 1.877 327 A HA -0.136 4.187 4.320 0.005 0.000 0.216 327 A C 2.439 179.839 177.584 -0.307 0.000 1.186 327 A CA 2.220 54.171 52.037 -0.142 0.000 0.620 327 A CB -0.864 18.042 19.000 -0.157 0.000 0.822 327 A HN 0.576 nan 8.150 nan 0.000 0.443 328 A N -0.008 122.703 122.820 -0.182 0.000 1.851 328 A HA -0.211 4.112 4.320 0.005 0.000 0.216 328 A C 1.919 179.449 177.584 -0.091 0.000 1.195 328 A CA 1.745 53.692 52.037 -0.149 0.000 0.622 328 A CB -0.738 18.207 19.000 -0.091 0.000 0.831 328 A HN 0.639 nan 8.150 nan 0.000 0.444 329 E N -0.497 119.682 120.200 -0.035 0.000 2.085 329 E HA -0.198 4.155 4.350 0.005 0.000 0.194 329 E C 2.249 178.865 176.600 0.027 0.000 0.994 329 E CA 1.876 58.281 56.400 0.008 0.000 0.801 329 E CB -0.571 29.151 29.700 0.036 0.000 0.743 329 E HN 0.868 nan 8.360 nan 0.000 0.453 330 T N 0.181 114.768 114.554 0.054 0.000 2.746 330 T HA -0.153 4.200 4.350 0.005 0.000 0.267 330 T C 2.057 176.791 174.700 0.057 0.000 1.039 330 T CA 0.977 63.139 62.100 0.103 0.000 1.142 330 T CB -0.474 68.549 68.868 0.259 0.000 0.866 330 T HN 0.075 nan 8.240 nan 0.000 0.444 331 I N 1.999 122.543 120.570 -0.043 0.000 2.179 331 I HA -0.110 4.063 4.170 0.005 0.000 0.242 331 I C 3.098 179.223 176.117 0.013 0.000 1.088 331 I CA 1.408 62.692 61.300 -0.027 0.000 1.357 331 I CB -0.588 37.318 38.000 -0.156 0.000 1.051 331 I HN 0.354 nan 8.210 nan 0.000 0.409 332 A N 0.394 123.211 122.820 -0.005 0.000 2.239 332 A HA 0.165 4.488 4.320 0.005 0.000 0.209 332 A C 1.843 179.439 177.584 0.021 0.000 1.171 332 A CA 0.867 52.911 52.037 0.011 0.000 0.768 332 A CB -0.886 18.116 19.000 0.003 0.000 0.790 332 A HN 0.638 nan 8.150 nan 0.000 0.478 333 G N -1.857 106.958 108.800 0.026 0.000 2.198 333 G HA2 0.055 4.018 3.960 0.005 0.000 0.260 333 G HA3 0.055 4.018 3.960 0.005 0.000 0.260 333 G C 0.381 175.297 174.900 0.027 0.000 1.025 333 G CA 0.602 45.717 45.100 0.025 0.000 0.769 333 G HN 1.543 nan 8.290 nan 0.000 0.507 334 A N -0.661 122.177 122.820 0.031 0.000 2.252 334 A HA 0.752 5.075 4.320 0.005 0.000 0.305 334 A C 0.587 178.201 177.584 0.050 0.000 1.097 334 A CA 0.234 52.292 52.037 0.034 0.000 0.849 334 A CB 0.573 19.590 19.000 0.027 0.000 1.142 334 A HN 0.732 nan 8.150 nan 0.000 0.499 335 E N 0.062 120.292 120.200 0.049 0.000 2.415 335 E HA 0.298 4.651 4.350 0.005 0.000 0.263 335 E C -0.236 176.409 176.600 0.075 0.000 0.995 335 E CA 0.457 56.895 56.400 0.064 0.000 0.915 335 E CB 0.405 30.138 29.700 0.056 0.000 0.951 335 E HN 0.606 nan 8.360 nan 0.000 0.449 336 T N 3.606 118.220 114.554 0.100 0.000 2.787 336 T HA 0.477 4.830 4.350 0.005 0.000 0.297 336 T C -1.676 173.080 174.700 0.093 0.000 1.221 336 T CA -0.797 61.363 62.100 0.099 0.000 1.006 336 T CB 1.015 69.960 68.868 0.129 0.000 1.328 336 T HN 0.450 nan 8.240 nan 0.000 0.509 337 L N 2.730 123.984 121.223 0.051 0.000 2.446 337 L HA 0.487 4.830 4.340 0.005 0.000 0.268 337 L C 0.239 177.070 176.870 -0.064 0.000 0.975 337 L CA -0.574 54.269 54.840 0.004 0.000 0.848 337 L CB 1.723 43.788 42.059 0.011 0.000 1.225 337 L HN 0.875 nan 8.230 nan 0.000 0.410 338 T N 3.276 117.746 114.554 -0.139 0.000 2.939 338 T HA 0.052 4.405 4.350 0.005 0.000 0.319 338 T C 1.467 176.070 174.700 -0.163 0.000 1.082 338 T CA 0.098 62.064 62.100 -0.224 0.000 1.133 338 T CB 0.428 69.084 68.868 -0.355 0.000 1.019 338 T HN 0.610 nan 8.240 nan 0.000 0.548 339 L N 4.041 125.173 121.223 -0.153 0.000 2.265 339 L HA 0.143 4.486 4.340 0.005 0.000 0.215 339 L C 2.033 178.786 176.870 -0.194 0.000 1.117 339 L CA 0.793 55.509 54.840 -0.207 0.000 0.782 339 L CB -1.419 40.431 42.059 -0.348 0.000 0.914 339 L HN 1.150 nan 8.230 nan 0.000 0.441 340 G N 0.406 109.134 108.800 -0.121 0.000 2.528 340 G HA2 -0.368 3.595 3.960 0.005 0.000 0.262 340 G HA3 -0.368 3.595 3.960 0.005 0.000 0.262 340 G C -0.286 174.618 174.900 0.007 0.000 1.200 340 G CA 0.127 45.184 45.100 -0.071 0.000 0.951 340 G HN 0.327 nan 8.290 nan 0.000 0.566 341 D N 0.185 120.590 120.400 0.008 0.000 2.346 341 D HA 0.428 5.071 4.640 0.005 0.000 0.260 341 D C 1.451 177.792 176.300 0.068 0.000 1.252 341 D CA 0.038 54.077 54.000 0.066 0.000 0.895 341 D CB 0.240 41.068 40.800 0.047 0.000 1.097 341 D HN 0.445 nan 8.370 nan 0.000 0.489 342 H N 2.698 121.766 119.070 -0.003 0.000 2.518 342 H HA 0.028 4.587 4.556 0.005 0.000 0.289 342 H C 1.571 176.916 175.328 0.028 0.000 1.051 342 H CA 0.965 57.017 56.048 0.006 0.000 1.280 342 H CB 0.285 30.044 29.762 -0.004 0.000 1.380 342 H HN 0.395 nan 8.280 nan 0.000 0.566 343 R N -0.544 120.033 120.500 0.129 0.000 2.189 343 R HA -0.058 4.285 4.340 0.005 0.000 0.223 343 R C 1.148 177.499 176.300 0.085 0.000 1.092 343 R CA 0.850 57.004 56.100 0.091 0.000 0.989 343 R CB 0.087 30.425 30.300 0.063 0.000 0.876 343 R HN 0.273 nan 8.270 nan 0.000 0.457 344 M N 0.464 120.117 119.600 0.088 0.000 2.558 344 M HA 0.082 4.565 4.480 0.005 0.000 0.255 344 M C 0.610 177.023 176.300 0.189 0.000 1.113 344 M CA 0.478 55.872 55.300 0.156 0.000 1.097 344 M CB -0.359 32.301 32.600 0.100 0.000 1.426 344 M HN 0.052 nan 8.290 nan 0.000 0.488 345 L N 2.482 123.764 121.223 0.099 0.000 2.439 345 L HA 0.141 4.484 4.340 0.005 0.000 0.269 345 L C -1.739 175.238 176.870 0.178 0.000 1.179 345 L CA -1.444 53.451 54.840 0.091 0.000 0.828 345 L CB 0.084 42.164 42.059 0.035 0.000 1.106 345 L HN -0.016 nan 8.230 nan 0.000 0.467 346 P HA 0.273 nan 4.420 nan 0.000 0.276 346 P C -1.446 175.984 177.300 0.217 0.000 1.244 346 P CA -0.470 62.724 63.100 0.155 0.000 0.801 346 P CB 1.257 32.961 31.700 0.008 0.000 1.006 347 R N 0.393 120.977 120.500 0.140 0.000 2.663 347 R HA 0.855 5.198 4.340 0.005 0.000 0.267 347 R C -2.013 174.301 176.300 0.022 0.000 1.038 347 R CA -1.073 55.115 56.100 0.147 0.000 0.886 347 R CB 1.123 31.515 30.300 0.153 0.000 1.249 347 R HN 0.510 nan 8.270 nan 0.000 0.463 348 A N 0.630 123.436 122.820 -0.023 0.000 2.572 348 A HA 0.707 5.030 4.320 0.005 0.000 0.295 348 A C -1.193 176.188 177.584 -0.338 0.000 1.072 348 A CA -0.692 51.173 52.037 -0.288 0.000 0.691 348 A CB 2.244 20.887 19.000 -0.595 0.000 1.291 348 A HN 0.654 nan 8.150 nan 0.000 0.404 349 T N 1.452 115.759 114.554 -0.411 0.000 2.779 349 T HA 0.495 4.848 4.350 0.005 0.000 0.280 349 T C -0.575 173.874 174.700 -0.419 0.000 0.987 349 T CA 0.114 62.084 62.100 -0.216 0.000 0.966 349 T CB 0.201 69.014 68.868 -0.091 0.000 0.933 349 T HN 0.368 nan 8.240 nan 0.000 0.442 350 F N 1.742 121.659 119.950 -0.055 0.000 2.798 350 F HA 0.221 4.751 4.527 0.006 0.000 0.291 350 F C 1.610 177.296 175.800 -0.190 0.000 1.174 350 F CA -1.153 56.783 58.000 -0.106 0.000 1.392 350 F CB -0.799 38.148 39.000 -0.088 0.000 0.966 350 F HN 0.586 nan 8.300 nan 0.000 0.509 351 C N -0.710 118.505 119.300 -0.142 0.000 2.553 351 C HA 0.643 5.106 4.460 0.005 0.000 0.345 351 C C 0.231 174.892 174.990 -0.548 0.000 1.369 351 C CA -0.834 57.891 59.018 -0.489 0.000 2.447 351 C CB 0.578 28.225 27.740 -0.154 0.000 2.358 351 C HN 0.473 nan 8.230 nan 0.000 0.676 352 Q N 1.576 120.842 119.800 -0.891 0.000 2.325 352 Q HA 0.567 4.910 4.340 0.005 0.000 0.270 352 Q C -2.470 173.453 176.000 -0.129 0.000 1.020 352 Q CA -1.511 54.077 55.803 -0.359 0.000 0.785 352 Q CB 1.488 30.110 28.738 -0.193 0.000 1.259 352 Q HN 0.706 nan 8.270 nan 0.000 0.452 353 P HA 0.000 nan 4.420 nan 0.000 0.269 353 P C -0.683 176.527 177.300 -0.150 0.000 1.209 353 P CA 0.107 63.142 63.100 -0.108 0.000 0.776 353 P CB 0.890 32.551 31.700 -0.066 0.000 0.876 354 N N -0.190 118.390 118.700 -0.201 0.000 2.317 354 N HA 0.277 5.020 4.740 0.005 0.000 0.245 354 N C -0.646 174.746 175.510 -0.197 0.000 1.294 354 N CA -0.594 52.311 53.050 -0.241 0.000 0.924 354 N CB 0.451 38.757 38.487 -0.301 0.000 1.186 354 N HN 0.159 nan 8.380 nan 0.000 0.495 355 V N 0.552 120.328 119.914 -0.231 0.000 2.525 355 V HA 0.638 4.761 4.120 0.005 0.000 0.299 355 V C -0.860 175.123 176.094 -0.186 0.000 1.034 355 V CA -0.585 61.616 62.300 -0.164 0.000 0.863 355 V CB 1.238 32.992 31.823 -0.115 0.000 0.999 355 V HN 0.783 nan 8.190 nan 0.000 0.423 356 A N 3.958 126.710 122.820 -0.113 0.000 2.398 356 A HA 1.001 5.324 4.320 0.005 0.000 0.301 356 A C -0.308 177.279 177.584 0.004 0.000 1.041 356 A CA -0.084 51.904 52.037 -0.082 0.000 0.711 356 A CB 2.033 20.979 19.000 -0.090 0.000 1.240 356 A HN 1.203 nan 8.150 nan 0.000 0.420 357 S N 0.551 116.275 115.700 0.039 0.000 2.688 357 S HA 0.952 5.425 4.470 0.005 0.000 0.275 357 S C -0.799 173.882 174.600 0.135 0.000 1.175 357 S CA -0.362 57.865 58.200 0.045 0.000 0.818 357 S CB 1.457 64.730 63.200 0.122 0.000 1.157 357 S HN 2.131 nan 8.310 nan 0.000 0.482 358 F N -1.723 118.141 119.950 -0.142 0.000 2.746 358 F HA 0.699 5.228 4.527 0.004 0.000 0.311 358 F C 0.049 175.785 175.800 -0.107 0.000 1.135 358 F CA 0.259 58.209 58.000 -0.083 0.000 0.954 358 F CB 0.601 39.555 39.000 -0.077 0.000 1.276 358 F HN 1.815 nan 8.300 nan 0.000 0.440 359 G N 1.614 110.255 108.800 -0.266 0.000 2.562 359 G HA2 -0.148 3.815 3.960 0.005 0.000 0.250 359 G HA3 -0.148 3.815 3.960 0.005 0.000 0.250 359 G C -1.260 173.520 174.900 -0.201 0.000 1.269 359 G CA -0.325 44.554 45.100 -0.368 0.000 0.919 359 G HN 1.112 nan 8.290 nan 0.000 0.574 360 L N 1.305 122.415 121.223 -0.188 0.000 2.357 360 L HA 0.566 4.909 4.340 0.005 0.000 0.273 360 L C 1.606 178.519 176.870 0.073 0.000 1.080 360 L CA -0.274 54.534 54.840 -0.053 0.000 0.803 360 L CB 1.344 43.351 42.059 -0.087 0.000 1.174 360 L HN 1.027 nan 8.230 nan 0.000 0.443 361 T N -2.886 111.682 114.554 0.023 0.000 2.816 361 T HA 0.074 4.427 4.350 0.005 0.000 0.282 361 T C 0.915 175.569 174.700 -0.076 0.000 0.993 361 T CA -0.507 61.500 62.100 -0.155 0.000 0.994 361 T CB 1.392 70.111 68.868 -0.248 0.000 1.025 361 T HN 0.772 nan 8.240 nan 0.000 0.529 362 E N -0.030 120.100 120.200 -0.117 0.000 2.049 362 E HA -0.295 4.058 4.350 0.005 0.000 0.198 362 E C 2.115 178.692 176.600 -0.039 0.000 1.007 362 E CA 1.477 57.842 56.400 -0.057 0.000 0.809 362 E CB -0.147 29.511 29.700 -0.069 0.000 0.749 362 E HN 0.720 nan 8.360 nan 0.000 0.450 363 Q N 0.456 120.224 119.800 -0.053 0.000 2.124 363 Q HA -0.175 4.168 4.340 0.005 0.000 0.202 363 Q C 1.990 177.987 176.000 -0.005 0.000 0.977 363 Q CA 1.842 57.628 55.803 -0.028 0.000 0.850 363 Q CB 0.019 28.734 28.738 -0.037 0.000 0.901 363 Q HN 0.396 nan 8.270 nan 0.000 0.429 364 Q N -0.906 118.888 119.800 -0.009 0.000 2.046 364 Q HA -0.071 4.272 4.340 0.005 0.000 0.200 364 Q C 2.062 178.097 176.000 0.058 0.000 0.975 364 Q CA 1.306 57.120 55.803 0.019 0.000 0.836 364 Q CB -0.279 28.465 28.738 0.010 0.000 0.896 364 Q HN 0.477 nan 8.270 nan 0.000 0.428 365 A N 1.244 124.089 122.820 0.042 0.000 1.972 365 A HA -0.182 4.141 4.320 0.005 0.000 0.219 365 A C 2.038 179.726 177.584 0.173 0.000 1.169 365 A CA 1.022 53.117 52.037 0.097 0.000 0.635 365 A CB -0.294 18.681 19.000 -0.041 0.000 0.810 365 A HN 0.130 nan 8.150 nan 0.000 0.446 366 R N 0.073 120.623 120.500 0.083 0.000 2.070 366 R HA -0.103 4.240 4.340 0.005 0.000 0.233 366 R C 1.659 177.996 176.300 0.062 0.000 1.137 366 R CA 1.649 57.788 56.100 0.065 0.000 0.945 366 R CB -0.791 29.524 30.300 0.026 0.000 0.845 366 R HN 0.572 nan 8.270 nan 0.000 0.430 367 N N 1.054 119.785 118.700 0.051 0.000 2.244 367 N HA -0.115 4.628 4.740 0.005 0.000 0.183 367 N C 1.432 176.966 175.510 0.041 0.000 1.016 367 N CA 0.797 53.868 53.050 0.036 0.000 0.866 367 N CB -0.200 38.303 38.487 0.027 0.000 0.980 367 N HN 0.221 nan 8.380 nan 0.000 0.430 368 E N -0.059 120.196 120.200 0.092 0.000 2.409 368 E HA -0.035 4.318 4.350 0.005 0.000 0.198 368 E C 1.039 177.602 176.600 -0.062 0.000 1.024 368 E CA 0.708 57.158 56.400 0.084 0.000 0.861 368 E CB -0.188 29.689 29.700 0.295 0.000 0.788 368 E HN 0.498 nan 8.360 nan 0.000 0.521 369 G N 0.340 109.126 108.800 -0.023 0.000 2.176 369 G HA2 -0.272 3.691 3.960 0.005 0.000 0.232 369 G HA3 -0.272 3.691 3.960 0.005 0.000 0.232 369 G C 0.026 174.849 174.900 -0.128 0.000 0.986 369 G CA 0.092 45.130 45.100 -0.102 0.000 0.643 369 G HN 0.207 nan 8.290 nan 0.000 0.522 370 Y N 0.746 121.043 120.300 -0.005 0.000 2.330 370 Y HA 0.426 4.978 4.550 0.003 0.000 0.341 370 Y C 0.977 176.872 175.900 -0.008 0.000 1.278 370 Y CA 0.120 58.217 58.100 -0.005 0.000 1.453 370 Y CB 0.490 38.949 38.460 -0.002 0.000 1.342 370 Y HN 0.056 nan 8.280 nan 0.000 0.590 371 D N 1.344 121.839 120.400 0.158 0.000 2.619 371 D HA 0.113 4.756 4.640 0.005 0.000 0.224 371 D C -0.857 175.492 176.300 0.081 0.000 1.133 371 D CA -0.112 53.936 54.000 0.079 0.000 1.017 371 D CB -0.452 40.373 40.800 0.042 0.000 1.077 371 D HN 0.227 nan 8.370 nan 0.000 0.503 372 V N 2.513 122.476 119.914 0.082 0.000 2.584 372 V HA -0.013 4.110 4.120 0.005 0.000 0.303 372 V C 0.631 176.742 176.094 0.028 0.000 1.035 372 V CA 0.083 62.413 62.300 0.050 0.000 1.172 372 V CB 0.885 32.732 31.823 0.039 0.000 0.896 372 V HN 0.180 nan 8.190 nan 0.000 0.486 373 V N 5.803 125.729 119.914 0.021 0.000 2.588 373 V HA 0.580 4.703 4.120 0.005 0.000 0.304 373 V C -0.225 175.877 176.094 0.012 0.000 1.042 373 V CA -0.533 61.779 62.300 0.020 0.000 0.877 373 V CB 2.067 33.907 31.823 0.029 0.000 0.996 373 V HN 0.601 nan 8.190 nan 0.000 0.425 374 V N 2.840 122.757 119.914 0.005 0.000 2.735 374 V HA 0.923 5.046 4.120 0.005 0.000 0.310 374 V C -0.093 175.993 176.094 -0.014 0.000 1.061 374 V CA -0.536 61.760 62.300 -0.006 0.000 0.913 374 V CB 2.088 33.897 31.823 -0.023 0.000 1.005 374 V HN 1.040 nan 8.190 nan 0.000 0.428 375 A N 3.795 126.602 122.820 -0.021 0.000 2.411 375 A HA 0.727 5.050 4.320 0.005 0.000 0.285 375 A C -0.776 176.765 177.584 -0.072 0.000 1.129 375 A CA -0.620 51.389 52.037 -0.046 0.000 0.736 375 A CB 1.087 20.072 19.000 -0.025 0.000 1.186 375 A HN 0.726 nan 8.150 nan 0.000 0.445 376 K N 2.339 122.665 120.400 -0.124 0.000 2.274 376 K HA 0.647 4.970 4.320 0.005 0.000 0.262 376 K C -1.925 174.564 176.600 -0.185 0.000 0.961 376 K CA -0.500 55.696 56.287 -0.152 0.000 0.833 376 K CB 1.086 33.436 32.500 -0.250 0.000 1.102 376 K HN 0.549 nan 8.250 nan 0.000 0.436 377 F N 6.888 126.654 119.950 -0.308 0.000 2.477 377 F HA 0.452 4.981 4.527 0.003 0.000 0.335 377 F C -2.367 173.273 175.800 -0.266 0.000 1.130 377 F CA -2.300 55.472 58.000 -0.380 0.000 0.948 377 F CB 1.539 40.316 39.000 -0.373 0.000 1.154 377 F HN 0.401 nan 8.300 nan 0.000 0.439 378 P HA 0.129 nan 4.420 nan 0.000 0.284 378 P C 0.253 177.267 177.300 -0.477 0.000 1.253 378 P CA -0.089 62.799 63.100 -0.352 0.000 0.800 378 P CB 0.978 32.589 31.700 -0.148 0.000 0.961 379 F N 1.006 120.910 119.950 -0.077 0.000 2.546 379 F HA -0.104 4.427 4.527 0.007 0.000 0.298 379 F C 2.430 178.168 175.800 -0.104 0.000 1.120 379 F CA 1.644 59.616 58.000 -0.047 0.000 1.456 379 F CB -1.236 37.751 39.000 -0.022 0.000 1.088 379 F HN 0.312 nan 8.300 nan 0.000 0.572 380 T N -2.922 111.654 114.554 0.038 0.000 3.025 380 T HA -0.014 4.339 4.350 0.005 0.000 0.270 380 T C 1.622 176.437 174.700 0.192 0.000 1.126 380 T CA 0.895 63.022 62.100 0.044 0.000 1.105 380 T CB -0.332 68.580 68.868 0.074 0.000 0.884 380 T HN 0.186 nan 8.240 nan 0.000 0.522 381 A N 0.944 123.791 122.820 0.044 0.000 2.500 381 A HA 0.351 4.674 4.320 0.005 0.000 0.267 381 A C 0.605 178.372 177.584 0.304 0.000 1.290 381 A CA -0.650 51.446 52.037 0.099 0.000 0.928 381 A CB -0.127 18.814 19.000 -0.098 0.000 1.066 381 A HN 0.460 nan 8.150 nan 0.000 0.516 382 N N 0.434 119.349 118.700 0.358 0.000 2.407 382 N HA 0.433 5.176 4.740 0.005 0.000 0.277 382 N C 0.997 176.723 175.510 0.361 0.000 0.995 382 N CA 0.526 53.842 53.050 0.445 0.000 0.903 382 N CB 1.792 40.630 38.487 0.584 0.000 1.218 382 N HN 0.047 nan 8.380 nan 0.000 0.487 383 A N 4.488 127.498 122.820 0.318 0.000 1.884 383 A HA -0.239 4.084 4.320 0.005 0.000 0.219 383 A C 2.012 179.696 177.584 0.167 0.000 1.197 383 A CA 1.820 54.005 52.037 0.246 0.000 0.637 383 A CB -0.411 18.738 19.000 0.249 0.000 0.827 383 A HN 0.731 nan 8.150 nan 0.000 0.450 384 K N -0.046 120.423 120.400 0.114 0.000 2.057 384 K HA -0.015 4.308 4.320 0.005 0.000 0.207 384 K C 2.018 178.631 176.600 0.020 0.000 1.049 384 K CA 1.698 58.011 56.287 0.043 0.000 0.931 384 K CB -0.629 31.890 32.500 0.031 0.000 0.714 384 K HN 0.366 nan 8.250 nan 0.000 0.440 385 A N 0.374 123.214 122.820 0.034 0.000 1.883 385 A HA -0.216 4.107 4.320 0.005 0.000 0.217 385 A C 2.084 179.605 177.584 -0.106 0.000 1.186 385 A CA 1.843 53.824 52.037 -0.095 0.000 0.624 385 A CB -0.951 18.010 19.000 -0.065 0.000 0.822 385 A HN 0.480 nan 8.150 nan 0.000 0.444 386 H N -0.840 118.245 119.070 0.025 0.000 2.423 386 H HA -0.090 4.469 4.556 0.005 0.000 0.297 386 H C 2.435 177.766 175.328 0.005 0.000 1.075 386 H CA 1.324 57.381 56.048 0.015 0.000 1.342 386 H CB -0.502 29.282 29.762 0.037 0.000 1.395 386 H HN 0.523 nan 8.280 nan 0.000 0.530 387 G N 0.048 108.921 108.800 0.121 0.000 2.408 387 G HA2 -0.145 3.818 3.960 0.005 0.000 0.217 387 G HA3 -0.145 3.818 3.960 0.005 0.000 0.217 387 G C 1.820 176.744 174.900 0.039 0.000 1.150 387 G CA 0.787 45.929 45.100 0.070 0.000 0.776 387 G HN 0.277 nan 8.290 nan 0.000 0.542 388 V N 0.459 120.354 119.914 -0.032 0.000 2.871 388 V HA 0.289 4.412 4.120 0.005 0.000 0.256 388 V C 2.145 178.223 176.094 -0.026 0.000 1.082 388 V CA 1.341 63.574 62.300 -0.112 0.000 1.105 388 V CB -0.400 31.228 31.823 -0.325 0.000 0.713 388 V HN 0.803 nan 8.190 nan 0.000 0.473 389 G N 0.597 109.394 108.800 -0.005 0.000 2.134 389 G HA2 -0.179 3.784 3.960 0.005 0.000 0.209 389 G HA3 -0.179 3.784 3.960 0.005 0.000 0.209 389 G C -0.117 174.723 174.900 -0.100 0.000 0.993 389 G CA 0.142 45.247 45.100 0.009 0.000 0.669 389 G HN 0.487 nan 8.290 nan 0.000 0.519 390 D N 0.069 120.368 120.400 -0.169 0.000 2.472 390 D HA 0.376 5.019 4.640 0.005 0.000 0.248 390 D C -1.902 174.279 176.300 -0.198 0.000 1.271 390 D CA -1.190 52.709 54.000 -0.169 0.000 0.888 390 D CB 1.482 42.181 40.800 -0.169 0.000 1.337 390 D HN 0.102 nan 8.370 nan 0.000 0.526 391 P HA 0.087 nan 4.420 nan 0.000 0.253 391 P C 0.223 177.488 177.300 -0.059 0.000 1.459 391 P CA -0.081 62.860 63.100 -0.265 0.000 0.908 391 P CB 0.014 31.305 31.700 -0.682 0.000 1.470 392 S N -0.990 114.698 115.700 -0.020 0.000 2.686 392 S HA 0.684 5.157 4.470 0.005 0.000 0.270 392 S C 0.692 175.390 174.600 0.164 0.000 1.194 392 S CA 0.328 58.566 58.200 0.064 0.000 0.990 392 S CB 0.610 63.833 63.200 0.037 0.000 1.029 392 S HN 0.428 nan 8.310 nan 0.000 0.560 393 G N -0.314 108.589 108.800 0.172 0.000 2.698 393 G HA2 0.280 4.243 3.960 0.005 0.000 0.225 393 G HA3 0.280 4.243 3.960 0.005 0.000 0.225 393 G C -0.773 174.292 174.900 0.275 0.000 1.345 393 G CA -0.112 45.075 45.100 0.145 0.000 0.871 393 G HN 2.123 nan 8.290 nan 0.000 0.540 394 F N -4.205 115.864 119.950 0.199 0.000 2.926 394 F HA 0.738 5.269 4.527 0.006 0.000 0.321 394 F C -0.876 174.807 175.800 -0.196 0.000 1.168 394 F CA -1.230 56.655 58.000 -0.191 0.000 0.890 394 F CB 0.856 39.787 39.000 -0.114 0.000 1.357 394 F HN 0.907 nan 8.300 nan 0.000 0.468 395 V N 1.661 121.656 119.914 0.134 0.000 2.443 395 V HA 0.500 4.623 4.120 0.005 0.000 0.293 395 V C -0.870 175.361 176.094 0.228 0.000 1.021 395 V CA -0.803 61.567 62.300 0.116 0.000 0.848 395 V CB 1.537 33.300 31.823 -0.100 0.000 0.998 395 V HN 0.803 nan 8.190 nan 0.000 0.424 396 K N 5.772 126.355 120.400 0.304 0.000 2.394 396 K HA 0.681 5.004 4.320 0.005 0.000 0.260 396 K C -1.490 175.189 176.600 0.133 0.000 0.967 396 K CA -0.554 55.841 56.287 0.180 0.000 0.855 396 K CB 1.183 33.810 32.500 0.213 0.000 1.101 396 K HN 0.622 nan 8.250 nan 0.000 0.433 397 L N 4.337 125.597 121.223 0.061 0.000 2.329 397 L HA 0.525 4.868 4.340 0.005 0.000 0.279 397 L C -0.603 176.290 176.870 0.039 0.000 1.014 397 L CA -1.311 53.560 54.840 0.051 0.000 0.814 397 L CB 1.947 44.051 42.059 0.074 0.000 1.257 397 L HN 0.320 nan 8.230 nan 0.000 0.424 398 V N 2.125 122.043 119.914 0.007 0.000 2.513 398 V HA 0.879 5.002 4.120 0.005 0.000 0.299 398 V C 0.022 176.094 176.094 -0.036 0.000 1.035 398 V CA -0.358 61.934 62.300 -0.013 0.000 0.889 398 V CB 1.527 33.338 31.823 -0.020 0.000 0.988 398 V HN 0.933 nan 8.190 nan 0.000 0.440 399 A N 2.981 125.787 122.820 -0.023 0.000 2.602 399 A HA 0.664 4.987 4.320 0.005 0.000 0.290 399 A C -1.360 176.218 177.584 -0.011 0.000 1.114 399 A CA -0.612 51.413 52.037 -0.020 0.000 0.683 399 A CB 1.724 20.740 19.000 0.027 0.000 1.281 399 A HN 0.723 nan 8.150 nan 0.000 0.416 400 D N 0.640 121.042 120.400 0.004 0.000 2.210 400 D HA 0.496 5.139 4.640 0.005 0.000 0.249 400 D C 1.148 177.475 176.300 0.044 0.000 1.078 400 D CA 0.341 54.374 54.000 0.056 0.000 0.875 400 D CB 2.017 42.890 40.800 0.121 0.000 1.175 400 D HN 0.539 nan 8.370 nan 0.000 0.440 401 A N 4.619 127.459 122.820 0.034 0.000 1.930 401 A HA -0.179 4.144 4.320 0.005 0.000 0.217 401 A C 1.969 179.535 177.584 -0.030 0.000 1.175 401 A CA 1.329 53.373 52.037 0.012 0.000 0.627 401 A CB -0.165 18.841 19.000 0.010 0.000 0.815 401 A HN 0.602 nan 8.150 nan 0.000 0.443 402 K N -0.585 119.763 120.400 -0.087 0.000 2.032 402 K HA -0.185 4.138 4.320 0.005 0.000 0.218 402 K C 1.390 177.760 176.600 -0.383 0.000 1.054 402 K CA 2.136 58.258 56.287 -0.274 0.000 0.941 402 K CB -0.267 32.005 32.500 -0.379 0.000 0.720 402 K HN 0.680 nan 8.250 nan 0.000 0.449 403 H N -2.618 116.476 119.070 0.039 0.000 3.233 403 H HA 0.292 4.852 4.556 0.006 0.000 0.263 403 H C 0.454 175.797 175.328 0.024 0.000 1.168 403 H CA 0.483 56.548 56.048 0.029 0.000 1.159 403 H CB 0.903 30.682 29.762 0.028 0.000 1.593 403 H HN 0.341 nan 8.280 nan 0.000 0.580 404 G N 2.141 111.004 108.800 0.105 0.000 2.272 404 G HA2 -0.263 3.700 3.960 0.005 0.000 0.280 404 G HA3 -0.263 3.700 3.960 0.005 0.000 0.280 404 G C -0.264 174.676 174.900 0.066 0.000 1.067 404 G CA 0.056 45.200 45.100 0.073 0.000 0.902 404 G HN 0.444 nan 8.290 nan 0.000 0.500 405 E N -0.446 119.800 120.200 0.078 0.000 2.301 405 E HA 0.491 4.844 4.350 0.005 0.000 0.275 405 E C 0.929 177.550 176.600 0.035 0.000 1.030 405 E CA -0.776 55.660 56.400 0.060 0.000 0.852 405 E CB 1.268 31.018 29.700 0.082 0.000 1.060 405 E HN 0.332 nan 8.360 nan 0.000 0.401 406 L N 3.680 124.933 121.223 0.050 0.000 2.416 406 L HA 0.032 4.375 4.340 0.005 0.000 0.272 406 L C 0.979 177.860 176.870 0.018 0.000 1.161 406 L CA 0.180 55.069 54.840 0.082 0.000 0.845 406 L CB 0.304 42.493 42.059 0.216 0.000 1.119 406 L HN 0.595 nan 8.230 nan 0.000 0.464 407 L N 2.229 123.395 121.223 -0.096 0.000 2.547 407 L HA 0.409 4.752 4.340 0.005 0.000 0.218 407 L C 0.792 177.435 176.870 -0.379 0.000 1.048 407 L CA 0.145 54.839 54.840 -0.243 0.000 0.859 407 L CB 0.499 42.346 42.059 -0.354 0.000 1.128 407 L HN 0.762 nan 8.230 nan 0.000 0.483 408 G N -0.813 107.679 108.800 -0.513 0.000 2.579 408 G HA2 0.509 4.472 3.960 0.005 0.000 0.292 408 G HA3 0.509 4.472 3.960 0.005 0.000 0.292 408 G C -1.673 172.666 174.900 -0.936 0.000 1.484 408 G CA -0.049 44.401 45.100 -1.083 0.000 0.813 408 G HN 0.005 nan 8.290 nan 0.000 0.515 409 G N -0.260 107.761 108.800 -1.298 0.000 2.591 409 G HA2 0.689 4.652 3.960 0.005 0.000 0.306 409 G HA3 0.689 4.652 3.960 0.005 0.000 0.306 409 G C -1.439 172.956 174.900 -0.841 0.000 1.334 409 G CA -0.608 44.173 45.100 -0.532 0.000 0.981 409 G HN 0.670 nan 8.290 nan 0.000 0.491 410 H N 1.815 120.918 119.070 0.056 0.000 3.108 410 H HA 0.420 4.979 4.556 0.004 0.000 0.329 410 H C -1.235 174.157 175.328 0.107 0.000 0.978 410 H CA -0.441 55.653 56.048 0.077 0.000 1.413 410 H CB 1.886 31.704 29.762 0.094 0.000 1.670 410 H HN 0.198 nan 8.280 nan 0.000 0.512 411 L N 2.618 123.890 121.223 0.082 0.000 2.354 411 L HA 0.557 4.900 4.340 0.005 0.000 0.269 411 L C -0.130 176.639 176.870 -0.168 0.000 1.005 411 L CA -0.890 53.934 54.840 -0.027 0.000 0.819 411 L CB 2.283 44.375 42.059 0.055 0.000 1.311 411 L HN 0.304 nan 8.230 nan 0.000 0.423 412 V N 1.218 120.935 119.914 -0.328 0.000 2.524 412 V HA 0.985 5.108 4.120 0.005 0.000 0.297 412 V C 0.072 176.114 176.094 -0.088 0.000 1.035 412 V CA -0.270 61.849 62.300 -0.303 0.000 0.867 412 V CB 1.153 32.646 31.823 -0.551 0.000 1.004 412 V HN 0.951 nan 8.190 nan 0.000 0.426 413 G N 2.090 110.833 108.800 -0.095 0.000 2.328 413 G HA2 0.368 4.331 3.960 0.005 0.000 0.295 413 G HA3 0.368 4.331 3.960 0.005 0.000 0.295 413 G C -1.437 173.325 174.900 -0.230 0.000 1.413 413 G CA -1.016 43.966 45.100 -0.196 0.000 0.817 413 G HN 0.835 nan 8.290 nan 0.000 0.546 414 H N 1.227 120.073 119.070 -0.374 0.000 3.187 414 H HA 0.241 4.800 4.556 0.005 0.000 0.286 414 H C 0.670 175.868 175.328 -0.217 0.000 0.944 414 H CA 1.820 57.712 56.048 -0.261 0.000 1.429 414 H CB 0.114 29.724 29.762 -0.254 0.000 1.483 414 H HN 0.537 nan 8.280 nan 0.000 0.555 415 D N 2.681 122.816 120.400 -0.442 0.000 2.792 415 D HA -0.210 4.433 4.640 0.005 0.000 0.231 415 D C 1.419 177.623 176.300 -0.160 0.000 1.160 415 D CA 1.030 54.858 54.000 -0.286 0.000 0.697 415 D CB -1.389 39.247 40.800 -0.272 0.000 1.070 415 D HN 0.492 nan 8.370 nan 0.000 0.426 416 V N -2.980 116.840 119.914 -0.157 0.000 3.186 416 V HA -0.017 4.106 4.120 0.005 0.000 0.270 416 V C 2.369 178.415 176.094 -0.079 0.000 1.149 416 V CA 1.632 63.884 62.300 -0.080 0.000 1.160 416 V CB -0.468 31.336 31.823 -0.032 0.000 0.758 416 V HN 0.339 nan 8.190 nan 0.000 0.516 417 A N 0.283 123.021 122.820 -0.136 0.000 2.121 417 A HA -0.062 4.261 4.320 0.005 0.000 0.218 417 A C 2.034 179.591 177.584 -0.043 0.000 1.154 417 A CA 1.343 53.296 52.037 -0.140 0.000 0.679 417 A CB -0.340 18.509 19.000 -0.251 0.000 0.795 417 A HN 0.600 nan 8.150 nan 0.000 0.458 418 E N -0.430 119.757 120.200 -0.022 0.000 2.479 418 E HA 0.129 4.482 4.350 0.005 0.000 0.193 418 E C 1.061 177.663 176.600 0.005 0.000 1.049 418 E CA 0.167 56.566 56.400 -0.002 0.000 0.870 418 E CB 0.109 29.811 29.700 0.003 0.000 0.944 418 E HN 0.687 nan 8.360 nan 0.000 0.492 419 L N -0.046 121.183 121.223 0.010 0.000 2.640 419 L HA 0.154 4.497 4.340 0.005 0.000 0.230 419 L C 2.063 178.950 176.870 0.028 0.000 1.123 419 L CA 0.035 54.898 54.840 0.038 0.000 0.900 419 L CB -0.036 42.063 42.059 0.067 0.000 1.146 419 L HN 0.048 nan 8.230 nan 0.000 0.484 420 L N 0.385 121.604 121.223 -0.006 0.000 2.056 420 L HA -0.083 4.260 4.340 0.005 0.000 0.207 420 L C -0.134 176.678 176.870 -0.097 0.000 1.078 420 L CA 1.168 55.981 54.840 -0.044 0.000 0.749 420 L CB -1.611 40.414 42.059 -0.055 0.000 0.901 420 L HN 0.183 nan 8.230 nan 0.000 0.433 421 P HA -0.293 nan 4.420 nan 0.000 0.219 421 P C 1.397 178.654 177.300 -0.071 0.000 1.161 421 P CA 1.719 64.775 63.100 -0.073 0.000 0.909 421 P CB 0.034 31.710 31.700 -0.039 0.000 0.793 422 E N -0.640 119.547 120.200 -0.022 0.000 2.085 422 E HA -0.186 4.167 4.350 0.005 0.000 0.194 422 E C 1.919 178.501 176.600 -0.029 0.000 0.994 422 E CA 1.003 57.410 56.400 0.011 0.000 0.801 422 E CB -0.488 29.280 29.700 0.115 0.000 0.743 422 E HN 0.156 nan 8.360 nan 0.000 0.453 423 L N 0.378 121.555 121.223 -0.077 0.000 2.005 423 L HA -0.164 4.179 4.340 0.005 0.000 0.207 423 L C 2.991 179.542 176.870 -0.533 0.000 1.072 423 L CA 1.805 56.517 54.840 -0.213 0.000 0.744 423 L CB -1.056 40.871 42.059 -0.220 0.000 0.895 423 L HN 0.335 nan 8.230 nan 0.000 0.433 424 T N -1.519 112.644 114.554 -0.651 0.000 2.821 424 T HA -0.190 4.163 4.350 0.005 0.000 0.267 424 T C 1.847 176.391 174.700 -0.261 0.000 1.046 424 T CA 1.032 62.777 62.100 -0.591 0.000 1.139 424 T CB -0.489 68.125 68.868 -0.423 0.000 0.871 424 T HN 0.134 nan 8.240 nan 0.000 0.454 425 L N 1.964 123.107 121.223 -0.133 0.000 2.017 425 L HA 0.223 4.566 4.340 0.005 0.000 0.208 425 L C 2.884 179.800 176.870 0.076 0.000 1.073 425 L CA 1.895 56.759 54.840 0.040 0.000 0.745 425 L CB -1.310 40.783 42.059 0.057 0.000 0.894 425 L HN 0.344 nan 8.230 nan 0.000 0.432 426 A N -1.149 121.661 122.820 -0.016 0.000 1.902 426 A HA -0.254 4.069 4.320 0.005 0.000 0.217 426 A C 2.298 179.871 177.584 -0.018 0.000 1.181 426 A CA 1.734 53.762 52.037 -0.014 0.000 0.623 426 A CB -0.770 18.181 19.000 -0.083 0.000 0.818 426 A HN 0.619 nan 8.150 nan 0.000 0.443 427 Q N 0.082 119.843 119.800 -0.065 0.000 2.084 427 Q HA -0.206 4.137 4.340 0.005 0.000 0.202 427 Q C 2.283 178.224 176.000 -0.099 0.000 0.978 427 Q CA 2.034 57.816 55.803 -0.034 0.000 0.844 427 Q CB -0.307 28.441 28.738 0.017 0.000 0.898 427 Q HN 0.753 nan 8.270 nan 0.000 0.426 428 R N -1.146 119.234 120.500 -0.200 0.000 2.092 428 R HA -0.128 4.215 4.340 0.005 0.000 0.231 428 R C 0.448 176.387 176.300 -0.602 0.000 1.119 428 R CA 1.276 57.108 56.100 -0.445 0.000 0.970 428 R CB -0.140 29.793 30.300 -0.612 0.000 0.864 428 R HN 0.183 nan 8.270 nan 0.000 0.440 429 W N 2.054 123.326 121.300 -0.047 0.000 2.385 429 W HA 0.225 4.887 4.660 0.004 0.000 0.393 429 W C -0.424 176.070 176.519 -0.042 0.000 0.720 429 W CA -0.800 56.520 57.345 -0.042 0.000 2.575 429 W CB 0.197 29.628 29.460 -0.048 0.000 1.693 429 W HN 0.151 nan 8.180 nan 0.000 0.767 430 D N 1.510 121.951 120.400 0.068 0.000 2.720 430 D HA -0.219 4.424 4.640 0.005 0.000 0.229 430 D C -0.680 175.643 176.300 0.038 0.000 1.198 430 D CA 0.919 54.944 54.000 0.043 0.000 0.639 430 D CB -0.766 40.057 40.800 0.038 0.000 1.003 430 D HN 0.259 nan 8.370 nan 0.000 0.411 431 L N 0.893 122.134 121.223 0.029 0.000 2.287 431 L HA 0.409 4.752 4.340 0.005 0.000 0.287 431 L C 1.348 178.193 176.870 -0.042 0.000 1.022 431 L CA -0.530 54.303 54.840 -0.011 0.000 0.814 431 L CB 1.577 43.622 42.059 -0.023 0.000 1.217 431 L HN 0.158 nan 8.230 nan 0.000 0.420 432 T N -0.577 113.949 114.554 -0.046 0.000 2.849 432 T HA 0.409 4.762 4.350 0.005 0.000 0.276 432 T C 1.275 175.909 174.700 -0.110 0.000 0.971 432 T CA -0.048 62.027 62.100 -0.042 0.000 0.949 432 T CB 1.491 70.364 68.868 0.009 0.000 1.093 432 T HN 0.549 nan 8.240 nan 0.000 0.545 433 A N 0.557 123.331 122.820 -0.076 0.000 1.978 433 A HA -0.039 4.284 4.320 0.005 0.000 0.220 433 A C 2.541 180.064 177.584 -0.102 0.000 1.170 433 A CA 2.042 54.014 52.037 -0.107 0.000 0.636 433 A CB -1.558 17.451 19.000 0.014 0.000 0.810 433 A HN 0.787 nan 8.150 nan 0.000 0.448 434 S N -0.209 115.463 115.700 -0.046 0.000 2.356 434 S HA -0.142 4.331 4.470 0.005 0.000 0.223 434 S C 1.871 176.438 174.600 -0.055 0.000 1.032 434 S CA 1.714 59.900 58.200 -0.023 0.000 1.005 434 S CB -0.274 62.927 63.200 0.002 0.000 0.867 434 S HN 0.683 nan 8.310 nan 0.000 0.449 435 E N 1.217 121.366 120.200 -0.086 0.000 2.158 435 E HA 0.105 4.458 4.350 0.005 0.000 0.191 435 E C 1.964 178.467 176.600 -0.162 0.000 0.982 435 E CA 0.348 56.691 56.400 -0.095 0.000 0.823 435 E CB -0.305 29.345 29.700 -0.083 0.000 0.766 435 E HN 0.375 nan 8.360 nan 0.000 0.468 436 L N 0.120 121.161 121.223 -0.304 0.000 2.056 436 L HA -0.111 4.232 4.340 0.005 0.000 0.207 436 L C 2.227 178.861 176.870 -0.393 0.000 1.078 436 L CA 1.129 55.610 54.840 -0.597 0.000 0.749 436 L CB -0.425 40.846 42.059 -1.314 0.000 0.901 436 L HN 0.144 nan 8.230 nan 0.000 0.433 437 A N -0.689 121.993 122.820 -0.230 0.000 2.178 437 A HA -0.121 4.202 4.320 0.005 0.000 0.218 437 A C 1.999 179.580 177.584 -0.005 0.000 1.157 437 A CA 1.042 53.021 52.037 -0.096 0.000 0.689 437 A CB -0.312 18.664 19.000 -0.041 0.000 0.787 437 A HN 0.249 nan 8.150 nan 0.000 0.465 438 R N -0.011 120.488 120.500 -0.002 0.000 2.334 438 R HA 0.111 4.454 4.340 0.005 0.000 0.216 438 R C 0.036 176.360 176.300 0.039 0.000 0.905 438 R CA -0.099 56.021 56.100 0.034 0.000 1.064 438 R CB -0.839 29.467 30.300 0.010 0.000 1.046 438 R HN 0.653 nan 8.270 nan 0.000 0.508 439 N N 1.062 119.796 118.700 0.057 0.000 2.408 439 N HA 0.082 4.825 4.740 0.005 0.000 0.257 439 N C -0.661 174.929 175.510 0.133 0.000 1.064 439 N CA -0.153 52.924 53.050 0.046 0.000 0.952 439 N CB 1.104 39.601 38.487 0.016 0.000 1.093 439 N HN -0.242 nan 8.380 nan 0.000 0.490 440 V N 3.950 123.901 119.914 0.063 0.000 2.521 440 V HA 0.029 4.152 4.120 0.005 0.000 0.286 440 V C -0.255 175.874 176.094 0.058 0.000 1.034 440 V CA 0.038 62.405 62.300 0.112 0.000 1.045 440 V CB 0.210 32.070 31.823 0.062 0.000 0.974 440 V HN 0.660 nan 8.190 nan 0.000 0.480 441 H N 1.792 120.895 119.070 0.054 0.000 2.467 441 H HA 0.401 4.960 4.556 0.005 0.000 0.326 441 H C 0.500 175.872 175.328 0.073 0.000 1.094 441 H CA -0.379 55.703 56.048 0.057 0.000 1.253 441 H CB 1.062 30.852 29.762 0.046 0.000 1.439 441 H HN 0.640 nan 8.280 nan 0.000 0.479 442 T N 2.154 116.798 114.554 0.149 0.000 2.937 442 T HA -0.022 4.331 4.350 0.005 0.000 0.316 442 T C -0.054 174.752 174.700 0.177 0.000 1.079 442 T CA 0.375 62.552 62.100 0.129 0.000 1.131 442 T CB -0.110 68.801 68.868 0.073 0.000 1.000 442 T HN 0.560 nan 8.240 nan 0.000 0.549 443 H N 3.290 122.403 119.070 0.072 0.000 2.495 443 H HA 0.538 5.097 4.556 0.005 0.000 0.348 443 H C -2.372 172.992 175.328 0.060 0.000 1.113 443 H CA -1.832 54.259 56.048 0.071 0.000 1.195 443 H CB 1.177 30.980 29.762 0.067 0.000 1.521 443 H HN 0.372 nan 8.280 nan 0.000 0.509 444 P HA 0.332 nan 4.420 nan 0.000 0.301 444 P C -1.364 175.857 177.300 -0.131 0.000 1.337 444 P CA -0.609 62.154 63.100 -0.561 0.000 0.889 444 P CB 2.073 33.325 31.700 -0.746 0.000 1.050 445 T N -1.335 113.225 114.554 0.010 0.000 2.843 445 T HA 0.324 4.677 4.350 0.005 0.000 0.302 445 T C 1.196 175.964 174.700 0.113 0.000 1.232 445 T CA -0.848 61.285 62.100 0.054 0.000 1.009 445 T CB 0.904 69.816 68.868 0.075 0.000 1.254 445 T HN 0.057 nan 8.240 nan 0.000 0.504 446 M N 1.485 121.150 119.600 0.109 0.000 2.229 446 M HA -0.032 4.451 4.480 0.005 0.000 0.264 446 M C 2.538 178.977 176.300 0.232 0.000 1.063 446 M CA 1.878 57.289 55.300 0.185 0.000 1.114 446 M CB -1.600 31.034 32.600 0.056 0.000 1.387 446 M HN 0.945 nan 8.290 nan 0.000 0.420 447 S N 0.250 116.044 115.700 0.155 0.000 2.465 447 S HA -0.150 4.323 4.470 0.005 0.000 0.241 447 S C 1.493 176.088 174.600 -0.008 0.000 1.000 447 S CA 1.105 59.391 58.200 0.144 0.000 0.964 447 S CB -0.581 62.771 63.200 0.254 0.000 0.763 447 S HN 0.574 nan 8.310 nan 0.000 0.512 448 E N 1.372 121.579 120.200 0.011 0.000 2.268 448 E HA 0.018 4.371 4.350 0.005 0.000 0.195 448 E C 2.231 178.630 176.600 -0.334 0.000 0.995 448 E CA 0.777 57.093 56.400 -0.140 0.000 0.836 448 E CB -0.356 29.368 29.700 0.040 0.000 0.763 448 E HN 0.783 nan 8.360 nan 0.000 0.491 449 A N 0.882 123.586 122.820 -0.194 0.000 2.067 449 A HA -0.097 4.226 4.320 0.005 0.000 0.219 449 A C 2.064 179.322 177.584 -0.544 0.000 1.158 449 A CA 0.755 52.579 52.037 -0.356 0.000 0.661 449 A CB -0.303 18.671 19.000 -0.044 0.000 0.801 449 A HN 0.140 nan 8.150 nan 0.000 0.452 450 L N -1.426 119.466 121.223 -0.552 0.000 2.131 450 L HA -0.133 4.210 4.340 0.005 0.000 0.206 450 L C 2.763 178.742 176.870 -1.484 0.000 1.087 450 L CA 1.366 55.684 54.840 -0.870 0.000 0.767 450 L CB -0.464 41.234 42.059 -0.602 0.000 0.917 450 L HN 0.530 nan 8.230 nan 0.000 0.441 451 Q N 0.179 119.293 119.800 -1.144 0.000 2.084 451 Q HA -0.219 4.124 4.340 0.005 0.000 0.202 451 Q C 2.119 177.715 176.000 -0.673 0.000 0.978 451 Q CA 1.409 56.700 55.803 -0.853 0.000 0.844 451 Q CB 0.196 28.532 28.738 -0.671 0.000 0.898 451 Q HN 0.349 nan 8.270 nan 0.000 0.426 452 E N -0.080 119.721 120.200 -0.666 0.000 2.058 452 E HA -0.192 4.161 4.350 0.005 0.000 0.194 452 E C 2.123 178.487 176.600 -0.394 0.000 0.997 452 E CA 1.190 57.264 56.400 -0.543 0.000 0.801 452 E CB -0.482 28.517 29.700 -1.167 0.000 0.746 452 E HN 0.466 nan 8.360 nan 0.000 0.450 453 C N 0.260 119.260 119.300 -0.499 0.000 2.425 453 C HA -0.088 4.375 4.460 0.005 0.000 0.277 453 C C 2.552 177.477 174.990 -0.108 0.000 1.280 453 C CA 0.279 59.128 59.018 -0.282 0.000 1.744 453 C CB -1.428 26.136 27.740 -0.294 0.000 1.989 453 C HN 0.374 nan 8.230 nan 0.000 0.491 454 F N -0.030 119.808 119.950 -0.187 0.000 2.126 454 F HA -0.225 4.303 4.527 0.003 0.000 0.299 454 F C 2.509 178.240 175.800 -0.116 0.000 1.096 454 F CA 1.723 59.622 58.000 -0.168 0.000 1.255 454 F CB -0.649 38.199 39.000 -0.255 0.000 0.997 454 F HN 0.450 nan 8.300 nan 0.000 0.479 455 H N -1.076 118.039 119.070 0.076 0.000 2.395 455 H HA -0.046 4.513 4.556 0.005 0.000 0.299 455 H C 2.448 177.774 175.328 -0.004 0.000 1.070 455 H CA 0.565 56.617 56.048 0.006 0.000 1.356 455 H CB -0.361 29.372 29.762 -0.048 0.000 1.401 455 H HN 0.271 nan 8.280 nan 0.000 0.524 456 G N -0.205 108.660 108.800 0.108 0.000 2.744 456 G HA2 -0.118 3.845 3.960 0.005 0.000 0.211 456 G HA3 -0.118 3.845 3.960 0.005 0.000 0.211 456 G C 1.327 176.269 174.900 0.071 0.000 1.143 456 G CA 0.186 45.329 45.100 0.071 0.000 0.788 456 G HN 0.151 nan 8.290 nan 0.000 0.534 457 L N -0.031 121.243 121.223 0.085 0.000 2.221 457 L HA 0.267 4.610 4.340 0.005 0.000 0.202 457 L C 2.776 179.697 176.870 0.086 0.000 1.074 457 L CA 0.871 55.761 54.840 0.083 0.000 0.795 457 L CB -0.084 42.041 42.059 0.109 0.000 0.960 457 L HN 0.055 nan 8.230 nan 0.000 0.458 458 V N -1.132 118.841 119.914 0.098 0.000 2.591 458 V HA 0.191 4.314 4.120 0.005 0.000 0.249 458 V C 1.517 177.660 176.094 0.082 0.000 1.053 458 V CA 1.388 63.739 62.300 0.085 0.000 1.068 458 V CB -0.269 31.612 31.823 0.096 0.000 0.689 458 V HN 0.584 nan 8.190 nan 0.000 0.462 459 G N -1.079 107.776 108.800 0.092 0.000 3.262 459 G HA2 0.222 4.185 3.960 0.005 0.000 0.148 459 G HA3 0.222 4.185 3.960 0.005 0.000 0.148 459 G C -0.695 174.336 174.900 0.219 0.000 1.197 459 G CA 0.012 45.200 45.100 0.147 0.000 1.469 459 G HN 0.433 nan 8.290 nan 0.000 0.717 460 H N 0.410 119.513 119.070 0.054 0.000 2.589 460 H HA 0.681 5.241 4.556 0.007 0.000 0.351 460 H C 0.071 175.434 175.328 0.059 0.000 1.074 460 H CA -1.055 55.029 56.048 0.060 0.000 1.203 460 H CB 0.738 30.534 29.762 0.056 0.000 1.558 460 H HN 0.430 nan 8.280 nan 0.000 0.522 461 M N 2.126 121.817 119.600 0.151 0.000 2.231 461 M HA 0.033 4.516 4.480 0.005 0.000 0.299 461 M C 1.216 177.565 176.300 0.081 0.000 1.076 461 M CA 0.478 55.846 55.300 0.114 0.000 1.152 461 M CB 0.657 33.350 32.600 0.156 0.000 1.414 461 M HN 0.599 nan 8.290 nan 0.000 0.439 462 I N 0.434 121.017 120.570 0.023 0.000 2.499 462 I HA -0.071 4.102 4.170 0.005 0.000 0.243 462 I C 0.768 176.947 176.117 0.104 0.000 1.085 462 I CA 0.786 62.087 61.300 0.001 0.000 1.422 462 I CB -0.206 37.735 38.000 -0.098 0.000 1.165 462 I HN 0.677 nan 8.210 nan 0.000 0.440 463 N N 0.837 119.628 118.700 0.150 0.000 2.843 463 N HA 0.247 4.990 4.740 0.005 0.000 0.284 463 N C -0.795 174.949 175.510 0.389 0.000 1.274 463 N CA 0.168 53.346 53.050 0.213 0.000 1.045 463 N CB -0.015 38.597 38.487 0.208 0.000 1.370 463 N HN 0.140 nan 8.380 nan 0.000 0.525 464 F N 0.000 120.043 119.950 0.155 0.000 2.286 464 F HA 0.000 4.528 4.527 0.002 0.000 0.279 464 F CA 0.000 58.098 58.000 0.164 0.000 1.383 464 F CB 0.000 39.172 39.000 0.287 0.000 1.145 464 F HN 0.000 nan 8.300 nan 0.000 0.574