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 2pmq_1_B DATA FIRST_RESID 2 DATA SEQUENCE KIAEIQLFQH DLPVVNGPYR IASGDVWSLT TTIVKIIAED GTIGWGETCP DATA SEQUENCE VGPTYAEAHA GGALAALEVL ASGLAGAEAL PLPLHTRXDS LLCGHNYAKS DATA SEQUENCE ALDIAVHDLW GKRLGVPVHE LLGGALTDSV SSYYSLGVXE PDEAARQALE DATA SEQUENCE KQREGYSRLQ VKLGARPIEI DIEAIRKVWE AVRGTGIALA ADGNRGWTTR DATA SEQUENCE DALRFSRECP DIPFVXEQPC NSFEDLEAIR PLCHHALYXD EDGTSLNTVI DATA SEQUENCE TAAATSLVDG FGXKVSRIGG LQHXRAFRDF CAARNLPHTC DDAWGGDIVS DATA SEQUENCE AACTHIASTV LPRLXEGAWL AQPYVAEHYD AENGVRIEGG RIRVPQGPGL DATA SEQUENCE GLTIDPERFG PPLFSAEGHH HHHH 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.578 176.600 -0.036 0.000 0.988 2 K CA 0.000 56.263 56.287 -0.041 0.000 0.838 2 K CB 0.000 32.482 32.500 -0.030 0.000 1.064 3 I N 2.579 123.124 120.570 -0.041 0.000 2.452 3 I HA 0.033 4.203 4.170 0.001 0.000 0.287 3 I C 1.092 177.196 176.117 -0.022 0.000 1.079 3 I CA 0.286 61.564 61.300 -0.036 0.000 1.387 3 I CB 1.234 39.208 38.000 -0.044 0.000 1.404 3 I HN 0.879 nan 8.210 nan 0.000 0.522 4 A N 5.624 128.433 122.820 -0.019 0.000 1.901 4 A HA 0.137 4.458 4.320 0.001 0.000 0.210 4 A C 0.773 178.357 177.584 0.000 0.000 1.208 4 A CA 0.619 52.652 52.037 -0.008 0.000 0.644 4 A CB 0.238 19.233 19.000 -0.009 0.000 0.863 4 A HN 0.748 nan 8.150 nan 0.000 0.454 5 E N -0.992 119.204 120.200 -0.008 0.000 2.383 5 E HA 0.636 4.987 4.350 0.001 0.000 0.275 5 E C -1.968 174.623 176.600 -0.014 0.000 0.918 5 E CA -0.630 55.769 56.400 -0.000 0.000 0.764 5 E CB 1.703 31.407 29.700 0.006 0.000 1.252 5 E HN 0.273 nan 8.360 nan 0.000 0.449 6 I N 2.621 123.188 120.570 -0.006 0.000 2.533 6 I HA 0.306 4.476 4.170 0.001 0.000 0.290 6 I C -0.722 175.385 176.117 -0.017 0.000 1.056 6 I CA -0.684 60.611 61.300 -0.009 0.000 1.057 6 I CB 2.082 40.087 38.000 0.009 0.000 1.240 6 I HN 0.426 nan 8.210 nan 0.000 0.423 7 Q N 6.017 125.791 119.800 -0.044 0.000 2.365 7 Q HA 0.720 5.061 4.340 0.001 0.000 0.269 7 Q C -1.392 174.453 176.000 -0.258 0.000 1.061 7 Q CA -0.794 54.897 55.803 -0.186 0.000 0.816 7 Q CB 3.347 31.971 28.738 -0.191 0.000 1.325 7 Q HN 0.502 nan 8.270 nan 0.000 0.446 8 L N 2.354 123.320 121.223 -0.429 0.000 2.346 8 L HA 0.677 5.017 4.340 0.001 0.000 0.274 8 L C -0.962 175.517 176.870 -0.651 0.000 1.007 8 L CA -0.681 53.966 54.840 -0.323 0.000 0.818 8 L CB 0.901 42.897 42.059 -0.104 0.000 1.284 8 L HN 0.544 nan 8.230 nan 0.000 0.424 9 F N -0.265 119.688 119.950 0.006 0.000 2.613 9 F HA 0.575 5.103 4.527 0.001 0.000 0.314 9 F C -0.209 175.583 175.800 -0.013 0.000 1.075 9 F CA -0.752 57.256 58.000 0.013 0.000 0.945 9 F CB 2.008 41.025 39.000 0.028 0.000 1.310 9 F HN 0.351 nan 8.300 nan 0.000 0.467 10 Q N 0.157 120.093 119.800 0.226 0.000 2.413 10 Q HA 0.504 4.844 4.340 0.001 0.000 0.276 10 Q C -1.810 174.342 176.000 0.252 0.000 1.099 10 Q CA -1.116 54.788 55.803 0.169 0.000 0.814 10 Q CB 3.310 32.119 28.738 0.119 0.000 1.379 10 Q HN 0.688 nan 8.270 nan 0.000 0.436 11 H N 0.126 119.255 119.070 0.098 0.000 2.954 11 H HA 0.259 4.816 4.556 0.000 0.000 0.361 11 H C -1.619 173.795 175.328 0.142 0.000 1.122 11 H CA -0.537 55.599 56.048 0.147 0.000 1.217 11 H CB 1.352 31.224 29.762 0.184 0.000 1.776 11 H HN 0.439 nan 8.280 nan 0.000 0.533 12 D N 4.266 124.503 120.400 -0.271 0.000 2.256 12 D HA 0.238 4.879 4.640 0.001 0.000 0.250 12 D C -0.191 176.033 176.300 -0.127 0.000 1.093 12 D CA -0.111 53.806 54.000 -0.138 0.000 0.882 12 D CB 1.386 42.127 40.800 -0.098 0.000 1.185 12 D HN 0.386 nan 8.370 nan 0.000 0.437 13 L N 4.219 125.475 121.223 0.056 0.000 2.384 13 L HA 0.304 4.644 4.340 0.001 0.000 0.261 13 L C -2.354 174.600 176.870 0.140 0.000 1.024 13 L CA -1.872 53.064 54.840 0.160 0.000 0.899 13 L CB 1.422 43.671 42.059 0.316 0.000 1.243 13 L HN 0.014 nan 8.230 nan 0.000 0.449 14 P HA 0.050 nan 4.420 nan 0.000 0.271 14 P C -0.108 177.302 177.300 0.183 0.000 1.216 14 P CA -0.167 63.009 63.100 0.128 0.000 0.776 14 P CB 0.941 32.709 31.700 0.114 0.000 0.881 15 V N 4.421 124.444 119.914 0.182 0.000 2.479 15 V HA -0.014 4.106 4.120 0.001 0.000 0.281 15 V C 0.714 176.943 176.094 0.226 0.000 1.031 15 V CA -0.241 62.200 62.300 0.236 0.000 1.038 15 V CB 0.624 32.514 31.823 0.112 0.000 0.981 15 V HN 0.269 nan 8.190 nan 0.000 0.478 16 V N 6.188 126.256 119.914 0.256 0.000 2.485 16 V HA 0.054 4.175 4.120 0.001 0.000 0.287 16 V C 0.996 177.219 176.094 0.215 0.000 1.022 16 V CA 0.222 62.640 62.300 0.197 0.000 1.067 16 V CB -0.617 31.293 31.823 0.145 0.000 0.967 16 V HN 1.160 nan 8.190 nan 0.000 0.479 17 N N 2.346 121.142 118.700 0.160 0.000 2.727 17 N HA -0.158 4.582 4.740 0.001 0.000 0.249 17 N C 0.636 176.194 175.510 0.081 0.000 1.048 17 N CA 0.377 53.506 53.050 0.132 0.000 0.714 17 N CB -0.648 37.921 38.487 0.137 0.000 0.959 17 N HN 0.960 nan 8.380 nan 0.000 0.544 18 G N 0.395 109.210 108.800 0.024 0.000 2.653 18 G HA2 0.469 4.429 3.960 0.001 0.000 0.265 18 G HA3 0.469 4.429 3.960 0.001 0.000 0.265 18 G C -1.693 172.831 174.900 -0.628 0.000 1.237 18 G CA -0.616 44.347 45.100 -0.228 0.000 0.946 18 G HN 0.090 nan 8.290 nan 0.000 0.522 19 P HA 0.206 nan 4.420 nan 0.000 0.278 19 P C -1.578 175.486 177.300 -0.393 0.000 1.266 19 P CA -0.514 62.025 63.100 -0.934 0.000 0.807 19 P CB 0.906 31.821 31.700 -1.308 0.000 1.094 20 Y N 0.981 121.024 120.300 -0.429 0.000 2.369 20 Y HA 0.349 4.899 4.550 0.000 0.000 0.337 20 Y C 0.226 175.957 175.900 -0.282 0.000 0.961 20 Y CA -0.632 57.270 58.100 -0.330 0.000 1.186 20 Y CB 0.777 39.019 38.460 -0.364 0.000 1.139 20 Y HN 0.167 nan 8.280 nan 0.000 0.494 21 R N 6.987 127.109 120.500 -0.630 0.000 2.202 21 R HA 0.490 4.830 4.340 0.001 0.000 0.334 21 R C -1.349 174.664 176.300 -0.478 0.000 1.036 21 R CA -0.495 55.337 56.100 -0.445 0.000 0.878 21 R CB 0.728 30.854 30.300 -0.290 0.000 1.067 21 R HN 0.609 nan 8.270 nan 0.000 0.457 22 I N 1.175 121.562 120.570 -0.304 0.000 2.646 22 I HA 0.272 4.442 4.170 0.001 0.000 0.299 22 I C 1.087 177.148 176.117 -0.093 0.000 1.036 22 I CA -0.352 60.841 61.300 -0.178 0.000 1.074 22 I CB 1.978 39.963 38.000 -0.025 0.000 1.258 22 I HN 0.600 nan 8.210 nan 0.000 0.430 23 A N 2.953 125.721 122.820 -0.087 0.000 1.908 23 A HA -0.162 4.159 4.320 0.001 0.000 0.218 23 A C 2.055 179.605 177.584 -0.057 0.000 1.181 23 A CA 2.231 54.219 52.037 -0.082 0.000 0.627 23 A CB -0.875 18.049 19.000 -0.125 0.000 0.818 23 A HN 0.834 nan 8.150 nan 0.000 0.445 24 S N -1.757 113.921 115.700 -0.036 0.000 2.607 24 S HA 0.437 4.907 4.470 0.001 0.000 0.224 24 S C 0.790 175.404 174.600 0.024 0.000 0.969 24 S CA 0.493 58.679 58.200 -0.022 0.000 0.927 24 S CB -0.364 62.794 63.200 -0.069 0.000 0.772 24 S HN 1.823 nan 8.310 nan 0.000 0.533 25 G N 0.776 109.590 108.800 0.023 0.000 2.249 25 G HA2 0.259 4.220 3.960 0.001 0.000 0.252 25 G HA3 0.259 4.220 3.960 0.001 0.000 0.252 25 G C -1.909 172.968 174.900 -0.040 0.000 1.697 25 G CA -1.050 44.050 45.100 -0.000 0.000 0.916 25 G HN 0.087 nan 8.290 nan 0.000 0.725 26 D N -0.020 120.340 120.400 -0.067 0.000 2.339 26 D HA 0.496 5.136 4.640 0.001 0.000 0.245 26 D C 0.821 177.052 176.300 -0.115 0.000 1.115 26 D CA 0.167 54.091 54.000 -0.128 0.000 0.917 26 D CB 2.070 42.789 40.800 -0.135 0.000 1.192 26 D HN 1.004 nan 8.370 nan 0.000 0.428 27 V N -1.152 118.652 119.914 -0.184 0.000 2.588 27 V HA 0.415 4.535 4.120 0.001 0.000 0.304 27 V C -0.270 175.698 176.094 -0.209 0.000 1.042 27 V CA -0.873 61.316 62.300 -0.184 0.000 0.877 27 V CB 1.774 33.401 31.823 -0.327 0.000 0.996 27 V HN 0.630 nan 8.190 nan 0.000 0.425 28 W N 2.562 123.785 121.300 -0.127 0.000 2.683 28 W HA 0.526 5.186 4.660 0.001 0.000 0.267 28 W C 1.201 177.663 176.519 -0.095 0.000 1.243 28 W CA 0.973 58.270 57.345 -0.081 0.000 1.380 28 W CB 0.712 30.142 29.460 -0.050 0.000 1.063 28 W HN 0.804 nan 8.180 nan 0.000 0.599 29 S N -0.356 115.397 115.700 0.089 0.000 2.543 29 S HA 0.612 5.083 4.470 0.001 0.000 0.274 29 S C -1.617 172.930 174.600 -0.088 0.000 1.149 29 S CA -0.690 57.517 58.200 0.012 0.000 0.866 29 S CB 0.248 63.491 63.200 0.072 0.000 1.111 29 S HN -0.092 nan 8.310 nan 0.000 0.457 30 L N 2.485 123.644 121.223 -0.106 0.000 2.408 30 L HA 0.566 4.907 4.340 0.001 0.000 0.268 30 L C -0.473 176.395 176.870 -0.003 0.000 0.986 30 L CA -0.701 54.058 54.840 -0.136 0.000 0.820 30 L CB 2.559 44.391 42.059 -0.378 0.000 1.303 30 L HN 0.603 nan 8.230 nan 0.000 0.411 31 T N 0.699 115.265 114.554 0.019 0.000 2.753 31 T HA 0.233 4.583 4.350 0.001 0.000 0.297 31 T C 0.063 174.826 174.700 0.104 0.000 0.981 31 T CA -0.150 61.989 62.100 0.066 0.000 0.956 31 T CB 1.074 69.976 68.868 0.057 0.000 0.936 31 T HN 0.519 nan 8.240 nan 0.000 0.463 32 T N 2.858 117.504 114.554 0.153 0.000 2.913 32 T HA 0.448 4.799 4.350 0.001 0.000 0.287 32 T C -0.120 174.646 174.700 0.110 0.000 1.008 32 T CA -0.286 61.914 62.100 0.167 0.000 1.067 32 T CB 0.566 69.578 68.868 0.240 0.000 0.996 32 T HN 0.497 nan 8.240 nan 0.000 0.513 33 T N 5.571 120.177 114.554 0.087 0.000 2.786 33 T HA 0.541 4.892 4.350 0.001 0.000 0.283 33 T C -0.597 174.118 174.700 0.026 0.000 0.992 33 T CA -0.615 61.517 62.100 0.053 0.000 0.954 33 T CB 0.419 69.314 68.868 0.046 0.000 0.934 33 T HN 0.379 nan 8.240 nan 0.000 0.440 34 I N 3.529 124.097 120.570 -0.003 0.000 2.441 34 I HA 0.498 4.668 4.170 0.001 0.000 0.295 34 I C -0.102 176.132 176.117 0.194 0.000 0.994 34 I CA -1.014 60.275 61.300 -0.018 0.000 1.144 34 I CB 1.727 39.460 38.000 -0.446 0.000 1.314 34 I HN 0.305 nan 8.210 nan 0.000 0.445 35 V N 6.085 126.124 119.914 0.208 0.000 2.459 35 V HA 0.438 4.558 4.120 0.001 0.000 0.295 35 V C 0.078 176.299 176.094 0.212 0.000 1.029 35 V CA -0.853 61.558 62.300 0.186 0.000 0.874 35 V CB 2.217 34.097 31.823 0.094 0.000 0.985 35 V HN 0.643 nan 8.190 nan 0.000 0.438 36 K N 5.855 126.326 120.400 0.118 0.000 2.413 36 K HA 0.600 4.920 4.320 0.001 0.000 0.257 36 K C -0.905 175.614 176.600 -0.136 0.000 0.946 36 K CA -0.565 55.603 56.287 -0.199 0.000 0.823 36 K CB 1.567 33.847 32.500 -0.368 0.000 1.109 36 K HN 0.820 nan 8.250 nan 0.000 0.427 37 I N 2.775 123.246 120.570 -0.166 0.000 2.392 37 I HA 0.504 4.674 4.170 0.001 0.000 0.295 37 I C -0.720 175.317 176.117 -0.133 0.000 0.985 37 I CA -0.949 60.286 61.300 -0.108 0.000 1.221 37 I CB 1.264 39.223 38.000 -0.068 0.000 1.366 37 I HN 0.446 nan 8.210 nan 0.000 0.467 38 I N 5.597 126.113 120.570 -0.089 0.000 2.406 38 I HA 0.576 4.747 4.170 0.001 0.000 0.290 38 I C 0.539 176.628 176.117 -0.047 0.000 0.999 38 I CA -0.589 60.665 61.300 -0.076 0.000 1.124 38 I CB 1.846 39.811 38.000 -0.059 0.000 1.289 38 I HN 0.814 nan 8.210 nan 0.000 0.441 39 A N 4.715 127.512 122.820 -0.040 0.000 2.287 39 A HA 0.293 4.613 4.320 0.001 0.000 0.273 39 A C 1.045 178.617 177.584 -0.019 0.000 1.091 39 A CA -0.261 51.760 52.037 -0.027 0.000 0.817 39 A CB 0.332 19.321 19.000 -0.017 0.000 1.069 39 A HN 0.866 nan 8.150 nan 0.000 0.492 40 E N 0.090 120.281 120.200 -0.016 0.000 2.219 40 E HA -0.232 4.119 4.350 0.001 0.000 0.198 40 E C 0.581 177.176 176.600 -0.008 0.000 0.998 40 E CA 1.501 57.894 56.400 -0.011 0.000 0.818 40 E CB -0.040 29.654 29.700 -0.012 0.000 0.741 40 E HN 0.819 nan 8.360 nan 0.000 0.477 41 D N -1.085 119.311 120.400 -0.007 0.000 2.340 41 D HA 0.014 4.655 4.640 0.001 0.000 0.220 41 D C 1.250 177.548 176.300 -0.003 0.000 1.039 41 D CA 0.754 54.752 54.000 -0.003 0.000 0.866 41 D CB 0.345 41.146 40.800 0.002 0.000 0.913 41 D HN 0.201 nan 8.370 nan 0.000 0.523 42 G N 0.127 108.922 108.800 -0.008 0.000 2.195 42 G HA2 -0.273 3.687 3.960 0.001 0.000 0.246 42 G HA3 -0.273 3.687 3.960 0.001 0.000 0.246 42 G C 0.519 175.410 174.900 -0.015 0.000 0.984 42 G CA 0.430 45.524 45.100 -0.010 0.000 0.633 42 G HN 0.787 nan 8.290 nan 0.000 0.525 43 T N 0.049 114.595 114.554 -0.013 0.000 2.918 43 T HA 0.608 4.958 4.350 0.001 0.000 0.302 43 T C 0.606 175.279 174.700 -0.045 0.000 1.045 43 T CA 0.081 62.173 62.100 -0.013 0.000 1.114 43 T CB 1.758 70.629 68.868 0.003 0.000 0.965 43 T HN 1.379 nan 8.240 nan 0.000 0.540 44 I N -0.961 119.567 120.570 -0.069 0.000 2.603 44 I HA 0.896 5.066 4.170 0.001 0.000 0.300 44 I C 0.022 176.038 176.117 -0.167 0.000 1.017 44 I CA -1.337 59.857 61.300 -0.177 0.000 1.098 44 I CB 2.010 39.820 38.000 -0.316 0.000 1.279 44 I HN 0.839 nan 8.210 nan 0.000 0.437 45 G N 3.804 112.471 108.800 -0.223 0.000 2.524 45 G HA2 0.610 4.570 3.960 0.001 0.000 0.310 45 G HA3 0.610 4.570 3.960 0.001 0.000 0.310 45 G C -2.277 172.516 174.900 -0.179 0.000 1.279 45 G CA -0.665 44.374 45.100 -0.101 0.000 0.974 45 G HN 0.715 nan 8.290 nan 0.000 0.484 46 W N 0.353 121.704 121.300 0.085 0.000 2.606 46 W HA 0.681 5.341 4.660 0.000 0.000 0.332 46 W C 0.423 176.994 176.519 0.086 0.000 1.052 46 W CA -0.454 56.943 57.345 0.086 0.000 1.223 46 W CB 2.861 32.381 29.460 0.101 0.000 1.383 46 W HN 0.819 nan 8.180 nan 0.000 0.524 47 G N 0.893 109.900 108.800 0.344 0.000 2.680 47 G HA2 0.675 4.636 3.960 0.001 0.000 0.290 47 G HA3 0.675 4.636 3.960 0.001 0.000 0.290 47 G C -1.979 173.035 174.900 0.190 0.000 1.355 47 G CA -0.663 44.573 45.100 0.227 0.000 0.903 47 G HN 0.408 nan 8.290 nan 0.000 0.474 48 E N -1.163 119.130 120.200 0.156 0.000 2.363 48 E HA 0.555 4.905 4.350 0.001 0.000 0.281 48 E C -1.873 174.815 176.600 0.146 0.000 0.953 48 E CA -0.625 55.855 56.400 0.135 0.000 0.778 48 E CB 2.517 32.315 29.700 0.163 0.000 1.220 48 E HN 0.544 nan 8.360 nan 0.000 0.431 49 T N 1.979 116.621 114.554 0.145 0.000 2.993 49 T HA 0.461 4.811 4.350 0.001 0.000 0.312 49 T C -1.960 172.863 174.700 0.206 0.000 1.115 49 T CA -0.394 61.818 62.100 0.187 0.000 1.027 49 T CB 1.174 70.156 68.868 0.190 0.000 1.116 49 T HN 0.501 nan 8.240 nan 0.000 0.464 50 C N 8.074 127.516 119.300 0.237 0.000 3.078 50 C HA 0.584 5.045 4.460 0.001 0.000 0.320 50 C C -2.779 172.337 174.990 0.210 0.000 1.039 50 C CA -1.429 57.728 59.018 0.232 0.000 1.386 50 C CB -0.179 27.741 27.740 0.300 0.000 1.836 50 C HN 0.716 nan 8.230 nan 0.000 0.514 51 P HA 0.055 nan 4.420 nan 0.000 0.268 51 P C -0.294 177.006 177.300 -0.000 0.000 1.208 51 P CA 0.198 63.335 63.100 0.062 0.000 0.777 51 P CB 0.559 32.257 31.700 -0.003 0.000 0.875 52 V N 3.127 123.006 119.914 -0.057 0.000 2.153 52 V HA 0.355 4.475 4.120 0.001 0.000 0.250 52 V C 1.119 177.102 176.094 -0.185 0.000 1.334 52 V CA 0.684 62.832 62.300 -0.254 0.000 1.249 52 V CB -1.046 30.480 31.823 -0.495 0.000 1.371 52 V HN 1.041 nan 8.190 nan 0.000 0.498 53 G N 6.256 114.976 108.800 -0.133 0.000 2.806 53 G HA2 -0.163 3.797 3.960 0.001 0.000 0.236 53 G HA3 -0.163 3.797 3.960 0.001 0.000 0.236 53 G C -1.428 173.474 174.900 0.004 0.000 1.387 53 G CA -0.025 45.040 45.100 -0.059 0.000 0.884 53 G HN 0.502 nan 8.290 nan 0.000 0.560 54 P HA 0.124 nan 4.420 nan 0.000 0.261 54 P C 1.191 178.488 177.300 -0.005 0.000 1.268 54 P CA 1.751 64.862 63.100 0.019 0.000 0.833 54 P CB 0.283 31.974 31.700 -0.016 0.000 1.231 55 T N -6.626 107.938 114.554 0.016 0.000 3.040 55 T HA 0.092 4.442 4.350 0.001 0.000 0.266 55 T C 1.379 176.108 174.700 0.047 0.000 1.005 55 T CA -0.103 62.004 62.100 0.011 0.000 0.906 55 T CB -0.757 68.112 68.868 0.002 0.000 1.082 55 T HN -0.169 nan 8.240 nan 0.000 0.531 56 Y N 2.579 122.835 120.300 -0.074 0.000 2.365 56 Y HA 0.607 5.157 4.550 0.000 0.000 0.293 56 Y C 0.912 176.763 175.900 -0.083 0.000 1.119 56 Y CA 0.095 58.148 58.100 -0.077 0.000 1.203 56 Y CB 0.041 38.461 38.460 -0.067 0.000 1.026 56 Y HN 0.509 nan 8.280 nan 0.000 0.549 57 A N -0.479 122.342 122.820 0.001 0.000 2.588 57 A HA 0.351 4.672 4.320 0.001 0.000 0.290 57 A C -0.980 176.547 177.584 -0.095 0.000 1.136 57 A CA -0.734 51.249 52.037 -0.089 0.000 0.681 57 A CB 0.418 19.370 19.000 -0.080 0.000 1.282 57 A HN 0.110 nan 8.150 nan 0.000 0.421 58 E N 0.248 120.380 120.200 -0.112 0.000 1.842 58 E HA 0.468 4.818 4.350 0.001 0.000 0.278 58 E C -0.291 176.204 176.600 -0.175 0.000 1.171 58 E CA 0.385 56.727 56.400 -0.096 0.000 1.127 58 E CB -0.218 29.441 29.700 -0.069 0.000 1.100 58 E HN 1.138 nan 8.360 nan 0.000 0.456 59 A N 3.555 126.248 122.820 -0.211 0.000 2.583 59 A HA 0.493 4.813 4.320 0.001 0.000 0.298 59 A C -1.555 175.959 177.584 -0.116 0.000 1.055 59 A CA -0.837 50.847 52.037 -0.588 0.000 0.714 59 A CB 0.746 19.045 19.000 -1.169 0.000 1.277 59 A HN 0.740 nan 8.150 nan 0.000 0.406 60 H N -1.462 117.546 119.070 -0.103 0.000 3.017 60 H HA 0.785 5.341 4.556 0.000 0.000 0.346 60 H C 0.710 176.135 175.328 0.162 0.000 1.286 60 H CA -0.283 55.783 56.048 0.030 0.000 1.120 60 H CB 1.437 31.217 29.762 0.031 0.000 1.860 60 H HN 1.049 nan 8.280 nan 0.000 0.542 61 A N 1.305 124.168 122.820 0.071 0.000 1.908 61 A HA -0.059 4.261 4.320 0.001 0.000 0.218 61 A C 2.299 179.831 177.584 -0.087 0.000 1.181 61 A CA 1.942 53.999 52.037 0.033 0.000 0.627 61 A CB -1.561 17.480 19.000 0.068 0.000 0.818 61 A HN 0.935 nan 8.150 nan 0.000 0.445 62 G N -0.847 107.860 108.800 -0.155 0.000 2.432 62 G HA2 0.059 4.020 3.960 0.001 0.000 0.219 62 G HA3 0.059 4.020 3.960 0.001 0.000 0.219 62 G C 1.452 176.142 174.900 -0.350 0.000 1.135 62 G CA 1.220 46.222 45.100 -0.163 0.000 0.767 62 G HN 0.710 nan 8.290 nan 0.000 0.550 63 G N 0.986 109.242 108.800 -0.906 0.000 2.408 63 G HA2 0.104 4.064 3.960 0.001 0.000 0.217 63 G HA3 0.104 4.064 3.960 0.001 0.000 0.217 63 G C 2.022 176.830 174.900 -0.153 0.000 1.150 63 G CA 1.384 46.251 45.100 -0.389 0.000 0.776 63 G HN 0.582 nan 8.290 nan 0.000 0.542 64 A N 0.589 123.358 122.820 -0.086 0.000 1.883 64 A HA 0.007 4.327 4.320 0.001 0.000 0.217 64 A C 2.353 179.827 177.584 -0.185 0.000 1.186 64 A CA 1.738 53.670 52.037 -0.174 0.000 0.624 64 A CB -0.516 18.511 19.000 0.044 0.000 0.822 64 A HN 0.425 nan 8.150 nan 0.000 0.444 65 L N -0.326 120.814 121.223 -0.137 0.000 2.017 65 L HA -0.040 4.300 4.340 0.001 0.000 0.208 65 L C 2.715 179.455 176.870 -0.216 0.000 1.073 65 L CA 2.213 56.963 54.840 -0.150 0.000 0.745 65 L CB -0.831 41.173 42.059 -0.092 0.000 0.894 65 L HN 0.352 nan 8.230 nan 0.000 0.432 66 A N -0.534 122.174 122.820 -0.188 0.000 1.902 66 A HA -0.131 4.189 4.320 0.001 0.000 0.217 66 A C 2.435 179.860 177.584 -0.265 0.000 1.181 66 A CA 1.947 53.865 52.037 -0.198 0.000 0.623 66 A CB -1.191 17.739 19.000 -0.116 0.000 0.818 66 A HN 0.571 nan 8.150 nan 0.000 0.443 67 A N -0.486 122.168 122.820 -0.277 0.000 1.898 67 A HA 0.025 4.345 4.320 0.001 0.000 0.216 67 A C 2.139 179.534 177.584 -0.316 0.000 1.181 67 A CA 1.388 53.215 52.037 -0.350 0.000 0.620 67 A CB -0.564 18.203 19.000 -0.387 0.000 0.819 67 A HN 0.458 nan 8.150 nan 0.000 0.442 68 L N -0.542 120.506 121.223 -0.293 0.000 2.131 68 L HA -0.190 4.150 4.340 0.001 0.000 0.210 68 L C 2.536 179.191 176.870 -0.358 0.000 1.092 68 L CA 1.334 56.015 54.840 -0.265 0.000 0.759 68 L CB -0.477 41.460 42.059 -0.202 0.000 0.903 68 L HN 0.482 nan 8.230 nan 0.000 0.435 69 E N -0.446 119.436 120.200 -0.529 0.000 2.077 69 E HA -0.193 4.158 4.350 0.001 0.000 0.193 69 E C 2.283 178.557 176.600 -0.542 0.000 0.989 69 E CA 1.367 57.220 56.400 -0.911 0.000 0.800 69 E CB -0.102 28.959 29.700 -1.065 0.000 0.746 69 E HN 0.278 nan 8.360 nan 0.000 0.452 70 V N 1.634 121.323 119.914 -0.375 0.000 2.295 70 V HA -0.269 3.851 4.120 0.001 0.000 0.246 70 V C 2.361 178.334 176.094 -0.201 0.000 1.049 70 V CA 1.551 63.695 62.300 -0.261 0.000 1.024 70 V CB -0.485 31.194 31.823 -0.240 0.000 0.648 70 V HN 0.236 nan 8.190 nan 0.000 0.447 71 L N 0.078 121.180 121.223 -0.202 0.000 1.994 71 L HA -0.151 4.189 4.340 0.001 0.000 0.208 71 L C 2.768 179.572 176.870 -0.110 0.000 1.071 71 L CA 1.690 56.441 54.840 -0.150 0.000 0.745 71 L CB -0.881 41.087 42.059 -0.152 0.000 0.892 71 L HN 0.346 nan 8.230 nan 0.000 0.431 72 A N -0.642 122.118 122.820 -0.100 0.000 1.940 72 A HA -0.215 4.105 4.320 0.001 0.000 0.219 72 A C 2.461 180.066 177.584 0.036 0.000 1.176 72 A CA 2.160 54.193 52.037 -0.007 0.000 0.631 72 A CB -0.689 18.358 19.000 0.079 0.000 0.814 72 A HN 0.398 nan 8.150 nan 0.000 0.446 73 S N -0.951 114.762 115.700 0.022 0.000 2.442 73 S HA -0.003 4.467 4.470 0.001 0.000 0.236 73 S C 1.621 176.208 174.600 -0.023 0.000 1.007 73 S CA 1.042 59.264 58.200 0.037 0.000 0.965 73 S CB -0.175 62.998 63.200 -0.045 0.000 0.773 73 S HN 0.794 nan 8.310 nan 0.000 0.504 74 G N -0.455 108.307 108.800 -0.063 0.000 3.324 74 G HA2 0.350 4.311 3.960 0.001 0.000 0.251 74 G HA3 0.350 4.311 3.960 0.001 0.000 0.251 74 G C 0.835 175.682 174.900 -0.088 0.000 1.072 74 G CA -0.218 44.824 45.100 -0.098 0.000 0.787 74 G HN 0.390 nan 8.290 nan 0.000 0.537 75 L N 0.359 121.545 121.223 -0.061 0.000 2.556 75 L HA 0.367 4.708 4.340 0.001 0.000 0.226 75 L C 1.732 178.581 176.870 -0.035 0.000 1.089 75 L CA -0.147 54.659 54.840 -0.056 0.000 0.864 75 L CB 0.246 42.269 42.059 -0.060 0.000 1.067 75 L HN 0.193 nan 8.230 nan 0.000 0.477 76 A N 0.053 122.867 122.820 -0.011 0.000 2.540 76 A HA 0.353 4.673 4.320 0.001 0.000 0.239 76 A C 1.401 178.999 177.584 0.024 0.000 1.061 76 A CA 0.911 52.956 52.037 0.014 0.000 0.758 76 A CB -0.217 18.812 19.000 0.049 0.000 0.991 76 A HN 0.593 nan 8.150 nan 0.000 0.502 77 G N 0.749 109.554 108.800 0.008 0.000 2.241 77 G HA2 0.123 4.084 3.960 0.001 0.000 0.244 77 G HA3 0.123 4.084 3.960 0.001 0.000 0.244 77 G C 0.698 175.587 174.900 -0.019 0.000 0.998 77 G CA 0.541 45.644 45.100 0.005 0.000 0.621 77 G HN 2.242 nan 8.290 nan 0.000 0.519 78 A N 0.390 123.189 122.820 -0.034 0.000 2.386 78 A HA 0.591 4.911 4.320 0.001 0.000 0.248 78 A C 0.423 177.964 177.584 -0.072 0.000 1.082 78 A CA 0.289 52.292 52.037 -0.056 0.000 0.789 78 A CB 0.234 19.192 19.000 -0.070 0.000 1.025 78 A HN 0.520 nan 8.150 nan 0.000 0.490 79 E N 0.648 120.794 120.200 -0.090 0.000 2.344 79 E HA 0.330 4.681 4.350 0.001 0.000 0.270 79 E C 0.174 176.678 176.600 -0.160 0.000 1.021 79 E CA 0.114 56.444 56.400 -0.118 0.000 0.887 79 E CB 0.871 30.491 29.700 -0.132 0.000 0.997 79 E HN 0.664 nan 8.360 nan 0.000 0.429 80 A N 5.534 128.253 122.820 -0.169 0.000 3.077 80 A HA 0.222 4.542 4.320 0.001 0.000 0.255 80 A C -0.343 177.012 177.584 -0.381 0.000 1.728 80 A CA 0.077 51.992 52.037 -0.203 0.000 1.383 80 A CB -0.630 18.297 19.000 -0.121 0.000 1.097 80 A HN 0.471 nan 8.150 nan 0.000 0.634 81 L N 0.167 121.123 121.223 -0.446 0.000 2.388 81 L HA 0.383 4.724 4.340 0.001 0.000 0.264 81 L C -1.811 174.765 176.870 -0.491 0.000 0.998 81 L CA -2.314 52.091 54.840 -0.724 0.000 0.817 81 L CB 2.618 44.277 42.059 -0.666 0.000 1.338 81 L HN 0.136 nan 8.230 nan 0.000 0.414 82 P HA -0.114 nan 4.420 nan 0.000 0.215 82 P C 1.602 178.889 177.300 -0.022 0.000 1.157 82 P CA 1.281 64.266 63.100 -0.192 0.000 0.868 82 P CB 0.379 32.016 31.700 -0.106 0.000 0.788 83 L N -1.210 119.963 121.223 -0.084 0.000 2.044 83 L HA -0.040 4.301 4.340 0.001 0.000 0.205 83 L C -0.294 176.564 176.870 -0.021 0.000 1.075 83 L CA 1.761 56.592 54.840 -0.015 0.000 0.747 83 L CB -2.214 39.828 42.059 -0.029 0.000 0.903 83 L HN 0.006 nan 8.230 nan 0.000 0.435 84 P HA -0.220 nan 4.420 nan 0.000 0.216 84 P C 1.737 178.989 177.300 -0.080 0.000 1.150 84 P CA 1.246 64.297 63.100 -0.082 0.000 0.843 84 P CB 0.060 31.686 31.700 -0.122 0.000 0.787 85 L N -1.196 119.959 121.223 -0.114 0.000 1.994 85 L HA -0.182 4.158 4.340 0.001 0.000 0.208 85 L C 2.339 179.117 176.870 -0.154 0.000 1.071 85 L CA 2.039 56.784 54.840 -0.158 0.000 0.745 85 L CB -1.356 40.568 42.059 -0.226 0.000 0.892 85 L HN 0.079 nan 8.230 nan 0.000 0.431 86 H N -1.173 117.861 119.070 -0.059 0.000 2.423 86 H HA -0.077 4.479 4.556 0.001 0.000 0.297 86 H C 2.024 177.352 175.328 -0.001 0.000 1.075 86 H CA 1.778 57.817 56.048 -0.016 0.000 1.342 86 H CB -0.210 29.548 29.762 -0.006 0.000 1.395 86 H HN 0.420 nan 8.280 nan 0.000 0.530 87 T N 0.884 115.491 114.554 0.088 0.000 2.746 87 T HA -0.132 4.218 4.350 0.001 0.000 0.267 87 T C 1.526 176.230 174.700 0.007 0.000 1.039 87 T CA 0.757 62.882 62.100 0.042 0.000 1.142 87 T CB -0.026 68.853 68.868 0.017 0.000 0.866 87 T HN 0.179 nan 8.240 nan 0.000 0.444 91 S N 0.198 115.894 115.700 -0.007 0.000 2.489 91 S HA 0.067 4.537 4.470 0.001 0.000 0.228 91 S C 1.768 176.349 174.600 -0.032 0.000 0.995 91 S CA 0.538 58.727 58.200 -0.018 0.000 0.934 91 S CB -0.078 63.108 63.200 -0.024 0.000 0.771 91 S HN 0.236 nan 8.310 nan 0.000 0.522 92 L N -0.542 120.655 121.223 -0.043 0.000 2.357 92 L HA 0.518 4.859 4.340 0.001 0.000 0.211 92 L C -0.016 176.813 176.870 -0.069 0.000 1.075 92 L CA 0.048 54.850 54.840 -0.064 0.000 0.830 92 L CB 0.310 42.319 42.059 -0.083 0.000 0.996 92 L HN 0.308 nan 8.230 nan 0.000 0.467 93 L N -0.704 120.487 121.223 -0.053 0.000 2.588 93 L HA 0.342 4.682 4.340 0.001 0.000 0.263 93 L C -1.002 175.878 176.870 0.017 0.000 0.935 93 L CA -0.572 54.234 54.840 -0.057 0.000 0.891 93 L CB 1.502 43.476 42.059 -0.142 0.000 1.318 93 L HN -0.085 nan 8.230 nan 0.000 0.409 94 C N 5.315 124.650 119.300 0.060 0.000 2.514 94 C HA 0.768 5.228 4.460 0.001 0.000 0.392 94 C C 1.495 176.604 174.990 0.200 0.000 1.294 94 C CA 1.164 60.239 59.018 0.096 0.000 1.957 94 C CB -1.150 26.630 27.740 0.068 0.000 2.541 94 C HN 1.612 nan 8.230 nan 0.000 0.569 95 G N 4.350 113.228 108.800 0.130 0.000 2.547 95 G HA2 -0.230 3.731 3.960 0.001 0.000 0.271 95 G HA3 -0.230 3.731 3.960 0.001 0.000 0.271 95 G C 0.034 175.054 174.900 0.200 0.000 1.209 95 G CA 0.746 45.907 45.100 0.101 0.000 0.959 95 G HN 1.807 nan 8.290 nan 0.000 0.563 96 H N -0.481 118.616 119.070 0.045 0.000 2.756 96 H HA -0.144 4.412 4.556 0.001 0.000 0.315 96 H C 1.507 176.828 175.328 -0.011 0.000 1.210 96 H CA 0.864 56.918 56.048 0.009 0.000 1.150 96 H CB -1.597 28.102 29.762 -0.106 0.000 1.463 96 H HN 0.512 nan 8.280 nan 0.000 0.427 97 N N -0.093 118.700 118.700 0.155 0.000 2.091 97 N HA -0.217 4.523 4.740 0.001 0.000 0.193 97 N C 1.855 177.470 175.510 0.175 0.000 1.021 97 N CA 2.047 55.194 53.050 0.161 0.000 0.862 97 N CB -0.411 38.161 38.487 0.143 0.000 1.018 97 N HN 0.860 nan 8.380 nan 0.000 0.429 98 Y N -0.809 119.541 120.300 0.083 0.000 2.333 98 Y HA 0.136 4.686 4.550 0.000 0.000 0.290 98 Y C 2.137 178.086 175.900 0.082 0.000 1.144 98 Y CA 1.003 59.153 58.100 0.084 0.000 1.228 98 Y CB -0.435 38.071 38.460 0.076 0.000 0.985 98 Y HN 0.018 nan 8.280 nan 0.000 0.542 99 A N 1.459 124.001 122.820 -0.464 0.000 1.874 99 A HA -0.054 4.266 4.320 0.001 0.000 0.214 99 A C 2.180 179.686 177.584 -0.130 0.000 1.189 99 A CA 1.249 53.071 52.037 -0.359 0.000 0.615 99 A CB -0.474 18.253 19.000 -0.456 0.000 0.830 99 A HN 0.456 nan 8.150 nan 0.000 0.443 100 K N 0.007 120.367 120.400 -0.067 0.000 2.152 100 K HA -0.133 4.187 4.320 0.001 0.000 0.206 100 K C 2.322 178.936 176.600 0.023 0.000 1.048 100 K CA 1.315 57.588 56.287 -0.023 0.000 0.933 100 K CB -0.228 32.298 32.500 0.044 0.000 0.721 100 K HN 0.430 nan 8.250 nan 0.000 0.447 101 S N 0.743 116.494 115.700 0.085 0.000 2.374 101 S HA -0.216 4.254 4.470 0.001 0.000 0.227 101 S C 2.059 176.718 174.600 0.098 0.000 1.037 101 S CA 1.394 59.668 58.200 0.123 0.000 1.024 101 S CB -0.211 63.078 63.200 0.148 0.000 0.861 101 S HN 0.413 nan 8.310 nan 0.000 0.456 102 A N 1.003 123.866 122.820 0.071 0.000 1.902 102 A HA 0.037 4.358 4.320 0.001 0.000 0.217 102 A C 2.221 179.844 177.584 0.066 0.000 1.181 102 A CA 1.455 53.539 52.037 0.078 0.000 0.623 102 A CB -0.741 18.293 19.000 0.057 0.000 0.818 102 A HN 0.572 nan 8.150 nan 0.000 0.443 103 L N -0.400 120.832 121.223 0.015 0.000 2.093 103 L HA -0.166 4.174 4.340 0.001 0.000 0.208 103 L C 2.510 179.383 176.870 0.005 0.000 1.085 103 L CA 1.517 56.350 54.840 -0.012 0.000 0.755 103 L CB -0.479 41.537 42.059 -0.072 0.000 0.904 103 L HN 0.516 nan 8.230 nan 0.000 0.435 104 D N 0.919 121.327 120.400 0.013 0.000 2.104 104 D HA -0.230 4.411 4.640 0.001 0.000 0.194 104 D C 2.172 178.642 176.300 0.283 0.000 0.994 104 D CA 1.675 55.748 54.000 0.122 0.000 0.830 104 D CB 0.021 40.935 40.800 0.190 0.000 0.959 104 D HN 0.337 nan 8.370 nan 0.000 0.452 105 I N 1.133 121.824 120.570 0.202 0.000 2.163 105 I HA -0.268 3.902 4.170 0.001 0.000 0.243 105 I C 2.788 179.035 176.117 0.217 0.000 1.085 105 I CA 1.247 62.669 61.300 0.203 0.000 1.347 105 I CB -0.339 37.757 38.000 0.159 0.000 1.044 105 I HN 0.019 nan 8.210 nan 0.000 0.408 106 A N 0.231 123.151 122.820 0.166 0.000 1.902 106 A HA -0.152 4.168 4.320 0.001 0.000 0.217 106 A C 2.445 180.093 177.584 0.106 0.000 1.181 106 A CA 1.698 53.815 52.037 0.133 0.000 0.623 106 A CB -0.954 18.094 19.000 0.081 0.000 0.818 106 A HN 0.247 nan 8.150 nan 0.000 0.443 107 V N -0.514 119.451 119.914 0.085 0.000 2.343 107 V HA -0.283 3.837 4.120 0.001 0.000 0.247 107 V C 2.359 178.508 176.094 0.092 0.000 1.051 107 V CA 2.483 64.797 62.300 0.024 0.000 1.036 107 V CB -1.010 30.763 31.823 -0.083 0.000 0.654 107 V HN 0.737 nan 8.190 nan 0.000 0.451 108 H N -0.708 118.461 119.070 0.165 0.000 2.387 108 H HA -0.151 4.406 4.556 0.000 0.000 0.299 108 H C 2.172 177.586 175.328 0.143 0.000 1.090 108 H CA 1.781 57.967 56.048 0.231 0.000 1.332 108 H CB -0.166 29.696 29.762 0.167 0.000 1.386 108 H HN 0.435 nan 8.280 nan 0.000 0.516 109 D N 0.074 120.604 120.400 0.217 0.000 2.084 109 D HA -0.141 4.500 4.640 0.001 0.000 0.194 109 D C 2.122 178.494 176.300 0.119 0.000 0.990 109 D CA 0.610 54.694 54.000 0.140 0.000 0.826 109 D CB -0.217 40.686 40.800 0.171 0.000 0.971 109 D HN 0.179 nan 8.370 nan 0.000 0.453 110 L N -0.260 121.034 121.223 0.118 0.000 2.012 110 L HA -0.095 4.246 4.340 0.001 0.000 0.210 110 L C 2.028 178.994 176.870 0.160 0.000 1.073 110 L CA 1.605 56.502 54.840 0.094 0.000 0.748 110 L CB -0.849 41.240 42.059 0.050 0.000 0.891 110 L HN 0.295 nan 8.230 nan 0.000 0.431 111 W N 0.382 121.656 121.300 -0.043 0.000 2.355 111 W HA -0.068 4.592 4.660 0.001 0.000 0.309 111 W C 2.326 178.825 176.519 -0.034 0.000 1.206 111 W CA 1.836 59.149 57.345 -0.053 0.000 1.284 111 W CB -1.086 28.316 29.460 -0.097 0.000 1.145 111 W HN 0.218 nan 8.180 nan 0.000 0.502 112 G N 0.364 109.160 108.800 -0.006 0.000 2.418 112 G HA2 -0.286 3.674 3.960 0.001 0.000 0.217 112 G HA3 -0.286 3.674 3.960 0.001 0.000 0.217 112 G C 1.601 176.457 174.900 -0.074 0.000 1.158 112 G CA 1.198 46.204 45.100 -0.156 0.000 0.771 112 G HN 0.311 nan 8.290 nan 0.000 0.545 113 K N -0.148 120.252 120.400 0.000 0.000 2.057 113 K HA -0.015 4.305 4.320 0.001 0.000 0.206 113 K C 2.535 179.146 176.600 0.017 0.000 1.050 113 K CA 0.993 57.288 56.287 0.014 0.000 0.935 113 K CB -0.138 32.386 32.500 0.039 0.000 0.715 113 K HN 0.214 nan 8.250 nan 0.000 0.439 114 R N 1.175 121.702 120.500 0.045 0.000 2.081 114 R HA -0.094 4.246 4.340 0.001 0.000 0.235 114 R C 1.841 178.158 176.300 0.029 0.000 1.131 114 R CA 1.303 57.437 56.100 0.055 0.000 0.960 114 R CB -0.115 30.253 30.300 0.112 0.000 0.856 114 R HN 0.143 nan 8.270 nan 0.000 0.436 115 L N -0.451 120.767 121.223 -0.008 0.000 2.509 115 L HA 0.217 4.557 4.340 0.001 0.000 0.222 115 L C 1.005 177.838 176.870 -0.062 0.000 1.123 115 L CA 0.486 55.297 54.840 -0.049 0.000 0.856 115 L CB 0.168 42.144 42.059 -0.139 0.000 0.985 115 L HN 0.642 nan 8.230 nan 0.000 0.456 116 G N 1.430 110.196 108.800 -0.057 0.000 2.198 116 G HA2 -0.219 3.741 3.960 0.001 0.000 0.257 116 G HA3 -0.219 3.741 3.960 0.001 0.000 0.257 116 G C 0.009 174.865 174.900 -0.074 0.000 1.042 116 G CA 0.329 45.399 45.100 -0.049 0.000 0.791 116 G HN 0.314 nan 8.290 nan 0.000 0.502 117 V N -3.880 115.962 119.914 -0.120 0.000 3.007 117 V HA 0.959 5.080 4.120 0.001 0.000 0.311 117 V C -2.517 173.454 176.094 -0.205 0.000 1.120 117 V CA -2.814 59.394 62.300 -0.154 0.000 0.980 117 V CB 2.434 34.146 31.823 -0.185 0.000 1.033 117 V HN 0.043 nan 8.190 nan 0.000 0.429 118 P HA 0.271 nan 4.420 nan 0.000 0.272 118 P C 1.059 178.100 177.300 -0.432 0.000 1.230 118 P CA -0.052 62.827 63.100 -0.367 0.000 0.788 118 P CB 0.991 32.285 31.700 -0.676 0.000 0.949 119 V N 1.654 121.257 119.914 -0.520 0.000 2.392 119 V HA -0.293 3.827 4.120 0.001 0.000 0.249 119 V C 2.251 178.254 176.094 -0.152 0.000 1.059 119 V CA 2.625 64.687 62.300 -0.397 0.000 1.051 119 V CB -1.913 29.580 31.823 -0.550 0.000 0.658 119 V HN 0.750 nan 8.190 nan 0.000 0.455 120 H N 0.119 119.271 119.070 0.136 0.000 2.422 120 H HA -0.184 4.373 4.556 0.001 0.000 0.298 120 H C 2.074 177.437 175.328 0.059 0.000 1.098 120 H CA 1.836 57.990 56.048 0.175 0.000 1.315 120 H CB -0.524 29.381 29.762 0.239 0.000 1.382 120 H HN 0.572 nan 8.280 nan 0.000 0.523 121 E N 1.183 121.372 120.200 -0.019 0.000 2.051 121 E HA -0.129 4.222 4.350 0.001 0.000 0.192 121 E C 1.968 178.522 176.600 -0.077 0.000 0.991 121 E CA 1.190 57.580 56.400 -0.017 0.000 0.799 121 E CB -0.080 29.555 29.700 -0.109 0.000 0.748 121 E HN 0.588 nan 8.360 nan 0.000 0.449 122 L N 0.608 121.721 121.223 -0.185 0.000 2.191 122 L HA -0.150 4.190 4.340 0.001 0.000 0.212 122 L C 2.146 179.004 176.870 -0.020 0.000 1.103 122 L CA 0.643 55.320 54.840 -0.272 0.000 0.769 122 L CB -0.261 41.513 42.059 -0.475 0.000 0.908 122 L HN 0.256 nan 8.230 nan 0.000 0.438 123 L N -0.584 120.672 121.223 0.055 0.000 2.591 123 L HA 0.172 4.513 4.340 0.001 0.000 0.228 123 L C 1.418 178.350 176.870 0.103 0.000 1.133 123 L CA 0.601 55.510 54.840 0.114 0.000 0.880 123 L CB -0.141 41.991 42.059 0.122 0.000 1.033 123 L HN 0.475 nan 8.230 nan 0.000 0.450 124 G N -0.786 108.061 108.800 0.078 0.000 2.255 124 G HA2 -0.014 3.946 3.960 0.001 0.000 0.196 124 G HA3 -0.014 3.946 3.960 0.001 0.000 0.196 124 G C 0.491 175.433 174.900 0.071 0.000 0.998 124 G CA -0.385 44.757 45.100 0.071 0.000 0.656 124 G HN 0.715 nan 8.290 nan 0.000 0.490 125 G N -0.549 108.312 108.800 0.101 0.000 3.226 125 G HA2 0.530 4.490 3.960 0.001 0.000 0.685 125 G HA3 0.530 4.490 3.960 0.001 0.000 0.685 125 G C 0.110 175.068 174.900 0.096 0.000 1.207 125 G CA 0.794 45.965 45.100 0.118 0.000 0.877 125 G HN 2.081 nan 8.290 nan 0.000 0.585 126 A N 1.803 124.672 122.820 0.082 0.000 2.498 126 A HA 0.621 4.941 4.320 0.001 0.000 0.239 126 A C 1.447 178.998 177.584 -0.054 0.000 1.068 126 A CA 0.431 52.413 52.037 -0.092 0.000 0.766 126 A CB 0.293 19.002 19.000 -0.484 0.000 1.003 126 A HN 1.367 nan 8.150 nan 0.000 0.497 127 L N 1.237 122.432 121.223 -0.046 0.000 2.640 127 L HA 0.202 4.542 4.340 0.001 0.000 0.230 127 L C 0.928 177.773 176.870 -0.042 0.000 1.123 127 L CA 0.572 55.396 54.840 -0.027 0.000 0.900 127 L CB 0.016 42.072 42.059 -0.005 0.000 1.146 127 L HN 0.802 nan 8.230 nan 0.000 0.484 128 T N -2.159 112.349 114.554 -0.076 0.000 2.885 128 T HA 0.180 4.531 4.350 0.001 0.000 0.322 128 T C -0.648 173.983 174.700 -0.115 0.000 1.387 128 T CA -0.544 61.512 62.100 -0.073 0.000 1.041 128 T CB 1.707 70.544 68.868 -0.052 0.000 1.287 128 T HN -0.102 nan 8.240 nan 0.000 0.491 129 D N 1.487 121.834 120.400 -0.089 0.000 2.350 129 D HA 0.199 4.839 4.640 0.001 0.000 0.213 129 D C 0.552 176.799 176.300 -0.089 0.000 1.031 129 D CA 0.502 54.444 54.000 -0.096 0.000 0.861 129 D CB 0.430 41.193 40.800 -0.063 0.000 0.926 129 D HN 0.597 nan 8.370 nan 0.000 0.520 130 S N -0.434 115.221 115.700 -0.076 0.000 2.541 130 S HA 0.610 5.081 4.470 0.001 0.000 0.271 130 S C -0.613 173.955 174.600 -0.053 0.000 1.133 130 S CA -0.929 57.231 58.200 -0.068 0.000 0.876 130 S CB 2.261 65.426 63.200 -0.058 0.000 1.105 130 S HN -0.062 nan 8.310 nan 0.000 0.470 131 V N -0.227 119.659 119.914 -0.046 0.000 2.864 131 V HA 0.938 5.058 4.120 0.001 0.000 0.314 131 V C 0.261 176.355 176.094 -0.000 0.000 1.073 131 V CA -0.473 61.817 62.300 -0.017 0.000 0.956 131 V CB 1.260 33.078 31.823 -0.009 0.000 1.023 131 V HN 1.356 nan 8.190 nan 0.000 0.435 132 S N 2.357 118.078 115.700 0.034 0.000 2.614 132 S HA 0.660 5.130 4.470 0.001 0.000 0.265 132 S C 0.122 174.792 174.600 0.117 0.000 1.303 132 S CA 0.059 58.300 58.200 0.069 0.000 1.000 132 S CB 1.284 64.544 63.200 0.100 0.000 0.935 132 S HN 1.525 nan 8.310 nan 0.000 0.551 133 S N 0.087 115.889 115.700 0.170 0.000 2.704 133 S HA 0.768 5.239 4.470 0.001 0.000 0.296 133 S C -1.675 173.220 174.600 0.492 0.000 1.138 133 S CA -0.864 57.491 58.200 0.259 0.000 0.875 133 S CB 1.002 64.303 63.200 0.168 0.000 1.151 133 S HN 0.972 nan 8.310 nan 0.000 0.500 134 Y N -0.024 120.513 120.300 0.395 0.000 2.545 134 Y HA 0.752 5.302 4.550 0.001 0.000 0.348 134 Y C -1.588 174.439 175.900 0.210 0.000 1.002 134 Y CA -1.304 57.003 58.100 0.345 0.000 1.039 134 Y CB 0.654 39.266 38.460 0.254 0.000 1.271 134 Y HN 0.648 nan 8.280 nan 0.000 0.467 135 Y N 1.861 122.078 120.300 -0.138 0.000 2.342 135 Y HA 0.548 5.099 4.550 0.001 0.000 0.334 135 Y C -0.171 175.817 175.900 0.147 0.000 1.067 135 Y CA -0.440 57.467 58.100 -0.322 0.000 1.128 135 Y CB 1.751 39.698 38.460 -0.855 0.000 1.200 135 Y HN 0.808 nan 8.280 nan 0.000 0.464 136 S N 6.961 122.506 115.700 -0.258 0.000 2.448 136 S HA 0.449 4.919 4.470 0.001 0.000 0.320 136 S C -0.989 173.657 174.600 0.077 0.000 1.071 136 S CA -0.753 57.474 58.200 0.045 0.000 1.113 136 S CB -0.257 62.975 63.200 0.054 0.000 0.972 136 S HN 0.689 nan 8.310 nan 0.000 0.465 137 L N 5.156 126.507 121.223 0.214 0.000 2.315 137 L HA 0.364 4.704 4.340 0.001 0.000 0.283 137 L C 1.481 178.389 176.870 0.063 0.000 1.089 137 L CA -0.629 54.350 54.840 0.231 0.000 0.833 137 L CB 0.233 42.413 42.059 0.203 0.000 1.170 137 L HN 0.765 nan 8.230 nan 0.000 0.442 138 G N 3.112 111.900 108.800 -0.020 0.000 2.690 138 G HA2 0.279 4.239 3.960 0.001 0.000 0.239 138 G HA3 0.279 4.239 3.960 0.001 0.000 0.239 138 G C 0.410 175.231 174.900 -0.132 0.000 1.233 138 G CA -0.638 44.310 45.100 -0.253 0.000 0.847 138 G HN 0.345 nan 8.290 nan 0.000 0.588 142 P HA -0.202 nan 4.420 nan 0.000 0.218 142 P C 0.667 177.995 177.300 0.046 0.000 1.152 142 P CA 1.468 64.596 63.100 0.048 0.000 0.857 142 P CB 0.374 32.102 31.700 0.045 0.000 0.787 143 D N -1.004 119.418 120.400 0.037 0.000 2.162 143 D HA -0.130 4.511 4.640 0.001 0.000 0.203 143 D C 1.928 178.248 176.300 0.034 0.000 0.967 143 D CA 0.815 54.834 54.000 0.033 0.000 0.840 143 D CB -0.278 40.537 40.800 0.026 0.000 0.972 143 D HN 0.347 nan 8.370 nan 0.000 0.482 144 E N 1.029 121.250 120.200 0.034 0.000 2.110 144 E HA -0.143 4.207 4.350 0.001 0.000 0.193 144 E C 2.079 178.707 176.600 0.047 0.000 0.988 144 E CA 0.828 57.250 56.400 0.037 0.000 0.804 144 E CB 0.093 29.814 29.700 0.035 0.000 0.745 144 E HN 0.131 nan 8.360 nan 0.000 0.458 145 A N 1.119 123.971 122.820 0.054 0.000 1.902 145 A HA -0.118 4.202 4.320 0.001 0.000 0.217 145 A C 2.369 179.995 177.584 0.070 0.000 1.181 145 A CA 1.795 53.874 52.037 0.070 0.000 0.623 145 A CB -0.724 18.321 19.000 0.075 0.000 0.818 145 A HN 0.391 nan 8.150 nan 0.000 0.443 146 A N -0.562 122.295 122.820 0.061 0.000 1.930 146 A HA -0.119 4.201 4.320 0.001 0.000 0.217 146 A C 2.262 179.869 177.584 0.039 0.000 1.175 146 A CA 1.391 53.461 52.037 0.056 0.000 0.627 146 A CB -0.425 18.604 19.000 0.048 0.000 0.815 146 A HN 0.530 nan 8.150 nan 0.000 0.443 147 R N -0.665 119.854 120.500 0.032 0.000 2.070 147 R HA -0.129 4.212 4.340 0.001 0.000 0.233 147 R C 2.496 178.806 176.300 0.016 0.000 1.137 147 R CA 1.707 57.819 56.100 0.021 0.000 0.945 147 R CB -0.374 29.938 30.300 0.020 0.000 0.845 147 R HN 0.657 nan 8.270 nan 0.000 0.430 148 Q N -0.136 119.678 119.800 0.023 0.000 2.124 148 Q HA -0.109 4.231 4.340 0.001 0.000 0.202 148 Q C 2.174 178.170 176.000 -0.006 0.000 0.977 148 Q CA 1.354 57.159 55.803 0.003 0.000 0.850 148 Q CB -0.107 28.651 28.738 0.033 0.000 0.901 148 Q HN 0.341 nan 8.270 nan 0.000 0.429 149 A N 1.096 123.939 122.820 0.038 0.000 1.883 149 A HA -0.215 4.105 4.320 0.001 0.000 0.217 149 A C 2.047 179.654 177.584 0.038 0.000 1.186 149 A CA 1.407 53.478 52.037 0.057 0.000 0.624 149 A CB -0.705 18.349 19.000 0.091 0.000 0.822 149 A HN 0.340 nan 8.150 nan 0.000 0.444 150 L N 0.106 121.344 121.223 0.025 0.000 2.056 150 L HA -0.136 4.205 4.340 0.001 0.000 0.207 150 L C 2.336 179.212 176.870 0.009 0.000 1.078 150 L CA 2.629 57.479 54.840 0.016 0.000 0.749 150 L CB -0.727 41.334 42.059 0.004 0.000 0.901 150 L HN 0.644 nan 8.230 nan 0.000 0.433 151 E N -0.759 119.437 120.200 -0.006 0.000 2.058 151 E HA -0.261 4.089 4.350 0.001 0.000 0.194 151 E C 1.812 178.402 176.600 -0.018 0.000 0.997 151 E CA 1.305 57.693 56.400 -0.019 0.000 0.801 151 E CB 0.089 29.766 29.700 -0.039 0.000 0.746 151 E HN 0.310 nan 8.360 nan 0.000 0.450 152 K N 0.500 120.875 120.400 -0.042 0.000 2.155 152 K HA -0.104 4.217 4.320 0.001 0.000 0.203 152 K C 2.083 178.780 176.600 0.162 0.000 1.052 152 K CA 0.704 56.993 56.287 0.004 0.000 0.948 152 K CB -0.395 31.955 32.500 -0.250 0.000 0.728 152 K HN 0.242 nan 8.250 nan 0.000 0.448 153 Q N 1.575 121.439 119.800 0.108 0.000 2.096 153 Q HA -0.143 4.197 4.340 0.001 0.000 0.204 153 Q C 1.909 177.959 176.000 0.083 0.000 0.982 153 Q CA 1.508 57.383 55.803 0.119 0.000 0.850 153 Q CB 0.024 28.812 28.738 0.083 0.000 0.901 153 Q HN 0.236 nan 8.270 nan 0.000 0.422 154 R N 0.071 120.600 120.500 0.049 0.000 2.115 154 R HA -0.090 4.250 4.340 0.001 0.000 0.230 154 R C 2.179 178.488 176.300 0.014 0.000 1.111 154 R CA 1.301 57.414 56.100 0.023 0.000 0.976 154 R CB -0.011 30.293 30.300 0.008 0.000 0.870 154 R HN 0.391 nan 8.270 nan 0.000 0.445 155 E N -1.008 119.209 120.200 0.028 0.000 2.268 155 E HA -0.067 4.283 4.350 0.001 0.000 0.195 155 E C 0.908 177.467 176.600 -0.068 0.000 0.995 155 E CA 0.846 57.240 56.400 -0.011 0.000 0.836 155 E CB 0.255 29.966 29.700 0.018 0.000 0.763 155 E HN 0.575 nan 8.360 nan 0.000 0.491 156 G N -0.006 108.781 108.800 -0.023 0.000 2.183 156 G HA2 -0.208 3.752 3.960 0.001 0.000 0.168 156 G HA3 -0.208 3.752 3.960 0.001 0.000 0.168 156 G C -0.353 174.522 174.900 -0.042 0.000 1.008 156 G CA -0.572 44.496 45.100 -0.052 0.000 0.677 156 G HN 0.124 nan 8.290 nan 0.000 0.498 157 Y N 2.030 122.360 120.300 0.050 0.000 2.610 157 Y HA 0.289 4.839 4.550 0.001 0.000 0.332 157 Y C 2.033 177.999 175.900 0.110 0.000 1.201 157 Y CA 1.015 59.174 58.100 0.100 0.000 1.465 157 Y CB 1.222 39.772 38.460 0.149 0.000 1.283 157 Y HN 0.260 nan 8.280 nan 0.000 0.563 158 S N 2.641 118.507 115.700 0.277 0.000 2.527 158 S HA 0.134 4.604 4.470 0.001 0.000 0.222 158 S C 0.548 175.283 174.600 0.225 0.000 0.985 158 S CA -0.053 58.268 58.200 0.202 0.000 0.921 158 S CB 0.202 63.497 63.200 0.159 0.000 0.772 158 S HN 0.718 nan 8.310 nan 0.000 0.529 159 R N -0.733 119.947 120.500 0.300 0.000 2.629 159 R HA 0.615 4.955 4.340 0.001 0.000 0.266 159 R C -2.545 173.938 176.300 0.304 0.000 1.051 159 R CA -0.814 55.443 56.100 0.262 0.000 0.895 159 R CB 1.244 31.682 30.300 0.231 0.000 1.246 159 R HN 0.242 nan 8.270 nan 0.000 0.459 160 L N 2.466 123.827 121.223 0.230 0.000 2.385 160 L HA 0.449 4.789 4.340 0.001 0.000 0.273 160 L C -1.125 175.855 176.870 0.183 0.000 0.990 160 L CA -0.173 54.809 54.840 0.236 0.000 0.821 160 L CB 1.973 44.154 42.059 0.203 0.000 1.279 160 L HN 0.687 nan 8.230 nan 0.000 0.412 161 Q N 3.639 123.574 119.800 0.224 0.000 2.325 161 Q HA 0.586 4.927 4.340 0.001 0.000 0.262 161 Q C -1.712 174.357 176.000 0.114 0.000 0.968 161 Q CA -0.703 55.172 55.803 0.120 0.000 0.877 161 Q CB 1.695 30.526 28.738 0.156 0.000 1.253 161 Q HN 0.560 nan 8.270 nan 0.000 0.448 162 V N 5.225 125.173 119.914 0.058 0.000 2.333 162 V HA 0.275 4.395 4.120 0.001 0.000 0.274 162 V C -0.120 175.959 176.094 -0.025 0.000 1.028 162 V CA -0.638 61.692 62.300 0.049 0.000 0.851 162 V CB 1.057 32.923 31.823 0.073 0.000 1.000 162 V HN 0.727 nan 8.190 nan 0.000 0.456 163 K N 5.297 125.674 120.400 -0.037 0.000 2.350 163 K HA 0.607 4.928 4.320 0.001 0.000 0.279 163 K C -0.766 175.777 176.600 -0.095 0.000 1.027 163 K CA -0.097 56.128 56.287 -0.104 0.000 0.969 163 K CB 0.813 33.233 32.500 -0.133 0.000 0.954 163 K HN 0.492 nan 8.250 nan 0.000 0.474 164 L N 0.565 121.700 121.223 -0.146 0.000 2.303 164 L HA 0.658 4.998 4.340 0.001 0.000 0.256 164 L C 0.289 177.118 176.870 -0.067 0.000 1.034 164 L CA -0.792 54.013 54.840 -0.059 0.000 0.832 164 L CB 2.207 44.273 42.059 0.011 0.000 1.403 164 L HN 0.911 nan 8.230 nan 0.000 0.419 165 G N 0.072 108.931 108.800 0.099 0.000 2.498 165 G HA2 0.333 4.293 3.960 0.001 0.000 0.651 165 G HA3 0.333 4.293 3.960 0.001 0.000 0.651 165 G C 0.126 175.057 174.900 0.051 0.000 1.284 165 G CA -0.446 44.734 45.100 0.132 0.000 0.950 165 G HN 1.894 nan 8.290 nan 0.000 0.511 166 A N -0.931 121.916 122.820 0.046 0.000 2.832 166 A HA 0.184 4.504 4.320 0.001 0.000 0.280 166 A C 0.814 178.412 177.584 0.023 0.000 1.464 166 A CA 3.192 55.240 52.037 0.018 0.000 0.804 166 A CB -1.719 17.274 19.000 -0.013 0.000 1.020 166 A HN 2.584 nan 8.150 nan 0.000 0.563 167 R N -2.946 117.580 120.500 0.043 0.000 2.741 167 R HA 0.617 4.958 4.340 0.001 0.000 0.276 167 R C -3.415 172.900 176.300 0.024 0.000 1.028 167 R CA -1.337 54.779 56.100 0.028 0.000 0.865 167 R CB -0.074 30.240 30.300 0.025 0.000 1.268 167 R HN 0.055 nan 8.270 nan 0.000 0.475 168 P HA 0.065 nan 4.420 nan 0.000 0.266 168 P C 0.641 177.917 177.300 -0.039 0.000 1.195 168 P CA -0.330 62.759 63.100 -0.018 0.000 0.768 168 P CB 0.407 32.097 31.700 -0.016 0.000 0.838 169 I N 3.091 123.600 120.570 -0.102 0.000 2.335 169 I HA -0.266 3.905 4.170 0.001 0.000 0.251 169 I C 2.047 178.108 176.117 -0.092 0.000 1.129 169 I CA 1.540 62.729 61.300 -0.185 0.000 1.402 169 I CB -0.538 37.268 38.000 -0.323 0.000 1.069 169 I HN 0.469 nan 8.210 nan 0.000 0.424 170 E N 0.641 120.804 120.200 -0.062 0.000 2.160 170 E HA -0.254 4.096 4.350 0.001 0.000 0.195 170 E C 2.199 178.794 176.600 -0.007 0.000 0.991 170 E CA 1.931 58.309 56.400 -0.036 0.000 0.810 170 E CB -0.914 28.767 29.700 -0.030 0.000 0.742 170 E HN 0.592 nan 8.360 nan 0.000 0.466 171 I N 1.776 122.348 120.570 0.003 0.000 2.353 171 I HA -0.201 3.970 4.170 0.001 0.000 0.248 171 I C 1.925 178.075 176.117 0.056 0.000 1.119 171 I CA 1.271 62.586 61.300 0.025 0.000 1.417 171 I CB -0.308 37.705 38.000 0.023 0.000 1.078 171 I HN -0.067 nan 8.210 nan 0.000 0.421 172 D N 1.199 121.644 120.400 0.075 0.000 2.149 172 D HA -0.146 4.494 4.640 0.001 0.000 0.198 172 D C 2.254 178.698 176.300 0.241 0.000 0.990 172 D CA 1.421 55.519 54.000 0.164 0.000 0.839 172 D CB -0.132 40.772 40.800 0.173 0.000 0.948 172 D HN 0.354 nan 8.370 nan 0.000 0.460 173 I N 0.828 121.482 120.570 0.141 0.000 2.252 173 I HA -0.189 3.982 4.170 0.001 0.000 0.245 173 I C 2.491 178.611 176.117 0.005 0.000 1.102 173 I CA 0.809 62.108 61.300 -0.002 0.000 1.385 173 I CB -0.176 37.763 38.000 -0.101 0.000 1.064 173 I HN -0.004 nan 8.210 nan 0.000 0.414 174 E N 1.494 121.710 120.200 0.028 0.000 2.038 174 E HA -0.288 4.062 4.350 0.001 0.000 0.195 174 E C 2.285 178.922 176.600 0.062 0.000 1.000 174 E CA 1.629 58.051 56.400 0.036 0.000 0.803 174 E CB -0.041 29.678 29.700 0.031 0.000 0.750 174 E HN 0.477 nan 8.360 nan 0.000 0.448 175 A N 0.890 123.758 122.820 0.080 0.000 1.883 175 A HA -0.198 4.123 4.320 0.001 0.000 0.217 175 A C 2.169 179.826 177.584 0.122 0.000 1.186 175 A CA 1.511 53.605 52.037 0.096 0.000 0.624 175 A CB -0.639 18.419 19.000 0.096 0.000 0.822 175 A HN 0.403 nan 8.150 nan 0.000 0.444 176 I N -0.366 120.288 120.570 0.141 0.000 2.315 176 I HA -0.180 3.991 4.170 0.001 0.000 0.248 176 I C 2.496 178.721 176.117 0.180 0.000 1.117 176 I CA 1.261 62.655 61.300 0.156 0.000 1.404 176 I CB -0.269 37.809 38.000 0.129 0.000 1.071 176 I HN 0.244 nan 8.210 nan 0.000 0.419 177 R N 0.089 120.666 120.500 0.129 0.000 2.075 177 R HA -0.147 4.193 4.340 0.001 0.000 0.232 177 R C 2.278 178.694 176.300 0.192 0.000 1.126 177 R CA 1.413 57.618 56.100 0.175 0.000 0.963 177 R CB -0.340 30.019 30.300 0.098 0.000 0.858 177 R HN 0.336 nan 8.270 nan 0.000 0.435 178 K N 0.233 120.711 120.400 0.130 0.000 2.057 178 K HA -0.097 4.223 4.320 0.001 0.000 0.207 178 K C 2.110 178.778 176.600 0.113 0.000 1.049 178 K CA 1.290 57.636 56.287 0.098 0.000 0.931 178 K CB -0.124 32.419 32.500 0.072 0.000 0.714 178 K HN -0.009 nan 8.250 nan 0.000 0.440 179 V N 0.975 120.980 119.914 0.152 0.000 2.295 179 V HA -0.264 3.856 4.120 0.001 0.000 0.246 179 V C 1.968 178.194 176.094 0.220 0.000 1.049 179 V CA 1.657 64.057 62.300 0.167 0.000 1.024 179 V CB -0.546 31.390 31.823 0.188 0.000 0.648 179 V HN 0.563 nan 8.190 nan 0.000 0.447 180 W N 0.826 122.169 121.300 0.072 0.000 2.358 180 W HA -0.172 4.488 4.660 0.001 0.000 0.303 180 W C 2.335 178.884 176.519 0.049 0.000 1.208 180 W CA 1.563 58.950 57.345 0.070 0.000 1.274 180 W CB 0.017 29.524 29.460 0.080 0.000 1.138 180 W HN 0.270 nan 8.180 nan 0.000 0.515 181 E N 0.610 120.773 120.200 -0.062 0.000 2.110 181 E HA -0.169 4.182 4.350 0.001 0.000 0.193 181 E C 2.280 178.764 176.600 -0.193 0.000 0.988 181 E CA 1.516 57.798 56.400 -0.197 0.000 0.804 181 E CB -0.746 28.929 29.700 -0.043 0.000 0.745 181 E HN 0.366 nan 8.360 nan 0.000 0.458 182 A N 0.696 123.459 122.820 -0.095 0.000 1.929 182 A HA -0.099 4.221 4.320 0.001 0.000 0.216 182 A C 2.284 179.804 177.584 -0.106 0.000 1.176 182 A CA 1.721 53.715 52.037 -0.071 0.000 0.628 182 A CB -0.163 18.831 19.000 -0.010 0.000 0.816 182 A HN 0.201 nan 8.150 nan 0.000 0.444 183 V N -1.859 117.973 119.914 -0.135 0.000 3.605 183 V HA 0.205 4.325 4.120 0.001 0.000 0.284 183 V C 0.706 176.640 176.094 -0.268 0.000 1.386 183 V CA 0.089 62.321 62.300 -0.114 0.000 1.053 183 V CB -0.977 30.862 31.823 0.027 0.000 0.857 183 V HN 0.598 nan 8.190 nan 0.000 0.436 184 R N 1.028 121.134 120.500 -0.656 0.000 2.640 184 R HA 0.482 4.822 4.340 0.001 0.000 0.270 184 R C 1.153 177.206 176.300 -0.412 0.000 1.024 184 R CA 0.718 56.219 56.100 -0.997 0.000 1.085 184 R CB 0.029 29.309 30.300 -1.700 0.000 0.963 184 R HN 0.821 nan 8.270 nan 0.000 0.426 185 G N 1.426 110.092 108.800 -0.223 0.000 2.241 185 G HA2 -0.398 3.563 3.960 0.001 0.000 0.244 185 G HA3 -0.398 3.563 3.960 0.001 0.000 0.244 185 G C 0.893 175.768 174.900 -0.040 0.000 0.998 185 G CA 0.547 45.592 45.100 -0.092 0.000 0.621 185 G HN 0.844 nan 8.290 nan 0.000 0.519 186 T N -1.417 113.114 114.554 -0.039 0.000 3.067 186 T HA 0.397 4.748 4.350 0.001 0.000 0.261 186 T C 2.583 177.310 174.700 0.045 0.000 1.110 186 T CA 1.847 63.950 62.100 0.005 0.000 1.113 186 T CB 0.033 68.906 68.868 0.009 0.000 0.917 186 T HN 2.306 nan 8.240 nan 0.000 0.499 187 G N 1.199 110.042 108.800 0.072 0.000 2.179 187 G HA2 -0.245 3.715 3.960 0.001 0.000 0.260 187 G HA3 -0.245 3.715 3.960 0.001 0.000 0.260 187 G C 0.076 175.051 174.900 0.126 0.000 0.977 187 G CA 0.095 45.255 45.100 0.101 0.000 0.641 187 G HN 0.761 nan 8.290 nan 0.000 0.533 188 I N 1.844 122.497 120.570 0.139 0.000 2.648 188 I HA 0.476 4.646 4.170 0.001 0.000 0.284 188 I C 1.079 177.309 176.117 0.189 0.000 1.153 188 I CA 0.089 61.485 61.300 0.160 0.000 1.426 188 I CB 0.696 38.794 38.000 0.163 0.000 1.381 188 I HN 0.454 nan 8.210 nan 0.000 0.571 189 A N 7.657 130.575 122.820 0.163 0.000 2.371 189 A HA 0.481 4.801 4.320 0.001 0.000 0.257 189 A C -0.833 176.837 177.584 0.144 0.000 1.089 189 A CA -0.384 51.737 52.037 0.139 0.000 0.794 189 A CB 0.799 19.864 19.000 0.108 0.000 1.029 189 A HN 0.640 nan 8.150 nan 0.000 0.488 190 L N 1.585 122.879 121.223 0.118 0.000 2.381 190 L HA 0.741 5.082 4.340 0.001 0.000 0.274 190 L C -0.060 176.848 176.870 0.063 0.000 0.988 190 L CA -0.037 54.881 54.840 0.129 0.000 0.824 190 L CB 1.512 43.684 42.059 0.188 0.000 1.263 190 L HN 0.892 nan 8.230 nan 0.000 0.410 191 A N 4.128 126.960 122.820 0.021 0.000 2.355 191 A HA 0.918 5.238 4.320 0.001 0.000 0.317 191 A C -0.794 176.763 177.584 -0.045 0.000 1.094 191 A CA -0.173 51.827 52.037 -0.061 0.000 0.764 191 A CB 1.426 20.319 19.000 -0.178 0.000 1.230 191 A HN 1.037 nan 8.150 nan 0.000 0.448 192 A N 2.252 125.011 122.820 -0.103 0.000 2.273 192 A HA 0.564 4.885 4.320 0.001 0.000 0.320 192 A C -0.732 176.653 177.584 -0.332 0.000 1.358 192 A CA -0.367 51.548 52.037 -0.204 0.000 0.910 192 A CB 0.159 18.959 19.000 -0.333 0.000 1.159 192 A HN 0.693 nan 8.150 nan 0.000 0.526 193 D N 2.926 123.139 120.400 -0.312 0.000 2.396 193 D HA 0.362 5.002 4.640 0.001 0.000 0.225 193 D C 1.254 177.204 176.300 -0.583 0.000 1.121 193 D CA 0.345 54.119 54.000 -0.376 0.000 0.853 193 D CB 1.282 41.948 40.800 -0.223 0.000 1.043 193 D HN 0.476 nan 8.370 nan 0.000 0.500 194 G N 2.951 111.189 108.800 -0.937 0.000 2.920 194 G HA2 -0.145 3.815 3.960 0.001 0.000 0.208 194 G HA3 -0.145 3.815 3.960 0.001 0.000 0.208 194 G C 0.713 175.121 174.900 -0.820 0.000 1.159 194 G CA -0.272 43.989 45.100 -1.398 0.000 0.784 194 G HN 0.809 nan 8.290 nan 0.000 0.535 195 N N -0.233 118.151 118.700 -0.526 0.000 2.735 195 N HA -0.217 4.524 4.740 0.001 0.000 0.248 195 N C 0.763 176.061 175.510 -0.353 0.000 1.083 195 N CA 0.492 53.319 53.050 -0.372 0.000 0.703 195 N CB -0.567 37.754 38.487 -0.276 0.000 1.005 195 N HN 0.525 nan 8.380 nan 0.000 0.550 196 R N -4.262 116.021 120.500 -0.361 0.000 4.000 196 R HA -0.220 4.120 4.340 0.001 0.000 0.362 196 R C 1.209 177.376 176.300 -0.222 0.000 1.183 196 R CA 0.985 56.928 56.100 -0.261 0.000 1.011 196 R CB -2.145 28.031 30.300 -0.206 0.000 1.501 196 R HN 0.529 nan 8.270 nan 0.000 0.553 197 G N -0.902 107.711 108.800 -0.311 0.000 2.939 197 G HA2 0.024 3.985 3.960 0.001 0.000 0.210 197 G HA3 0.024 3.985 3.960 0.001 0.000 0.210 197 G C -0.092 174.835 174.900 0.045 0.000 1.160 197 G CA -0.175 44.828 45.100 -0.162 0.000 0.770 197 G HN 0.111 nan 8.290 nan 0.000 0.543 198 W N 2.086 123.314 121.300 -0.121 0.000 2.469 198 W HA 0.471 5.132 4.660 0.001 0.000 0.320 198 W C 0.675 177.148 176.519 -0.078 0.000 1.086 198 W CA -1.740 55.539 57.345 -0.109 0.000 1.211 198 W CB 0.329 29.700 29.460 -0.148 0.000 1.298 198 W HN -0.005 nan 8.180 nan 0.000 0.525 199 T N -1.820 112.830 114.554 0.161 0.000 2.855 199 T HA 0.030 4.380 4.350 0.001 0.000 0.314 199 T C 1.486 176.236 174.700 0.083 0.000 1.077 199 T CA 0.578 62.727 62.100 0.081 0.000 1.095 199 T CB 0.893 69.784 68.868 0.037 0.000 0.987 199 T HN 0.522 nan 8.240 nan 0.000 0.546 200 T N -0.709 113.878 114.554 0.055 0.000 2.759 200 T HA -0.228 4.123 4.350 0.001 0.000 0.269 200 T C 1.915 176.631 174.700 0.028 0.000 1.042 200 T CA 1.120 63.249 62.100 0.048 0.000 1.140 200 T CB -0.477 68.410 68.868 0.032 0.000 0.864 200 T HN 0.725 nan 8.240 nan 0.000 0.455 201 R N 1.436 121.943 120.500 0.010 0.000 2.112 201 R HA -0.205 4.135 4.340 0.001 0.000 0.242 201 R C 1.820 178.097 176.300 -0.039 0.000 1.137 201 R CA 2.466 58.559 56.100 -0.011 0.000 0.944 201 R CB -0.581 29.710 30.300 -0.016 0.000 0.857 201 R HN 0.380 nan 8.270 nan 0.000 0.435 202 D N -0.246 120.112 120.400 -0.070 0.000 2.194 202 D HA -0.019 4.622 4.640 0.001 0.000 0.204 202 D C 1.732 177.882 176.300 -0.251 0.000 0.964 202 D CA 1.222 55.104 54.000 -0.196 0.000 0.846 202 D CB -0.210 40.414 40.800 -0.294 0.000 0.962 202 D HN 0.417 nan 8.370 nan 0.000 0.490 203 A N 0.896 123.678 122.820 -0.065 0.000 1.902 203 A HA -0.136 4.185 4.320 0.001 0.000 0.217 203 A C 2.335 179.971 177.584 0.085 0.000 1.181 203 A CA 0.917 53.005 52.037 0.085 0.000 0.623 203 A CB -0.792 18.355 19.000 0.244 0.000 0.818 203 A HN 0.203 nan 8.150 nan 0.000 0.443 204 L N -1.145 120.107 121.223 0.049 0.000 2.042 204 L HA -0.208 4.133 4.340 0.001 0.000 0.210 204 L C 2.824 179.721 176.870 0.045 0.000 1.076 204 L CA 1.904 56.775 54.840 0.051 0.000 0.749 204 L CB -0.502 41.572 42.059 0.024 0.000 0.893 204 L HN 0.482 nan 8.230 nan 0.000 0.432 205 R N -0.230 120.268 120.500 -0.003 0.000 2.075 205 R HA -0.213 4.127 4.340 0.001 0.000 0.232 205 R C 2.413 178.704 176.300 -0.016 0.000 1.126 205 R CA 1.532 57.618 56.100 -0.024 0.000 0.963 205 R CB -0.366 29.892 30.300 -0.070 0.000 0.858 205 R HN 0.169 nan 8.270 nan 0.000 0.435 206 F N 0.741 120.565 119.950 -0.208 0.000 2.095 206 F HA -0.254 4.274 4.527 0.001 0.000 0.298 206 F C 2.646 178.453 175.800 0.010 0.000 1.104 206 F CA 2.153 60.014 58.000 -0.233 0.000 1.232 206 F CB -0.524 38.165 39.000 -0.519 0.000 0.987 206 F HN 0.045 nan 8.300 nan 0.000 0.475 207 S N -0.258 115.587 115.700 0.242 0.000 2.371 207 S HA -0.189 4.282 4.470 0.001 0.000 0.224 207 S C 2.332 177.078 174.600 0.244 0.000 1.029 207 S CA 1.190 59.591 58.200 0.335 0.000 0.978 207 S CB -0.459 62.994 63.200 0.422 0.000 0.833 207 S HN 0.478 nan 8.310 nan 0.000 0.466 208 R N 0.658 121.238 120.500 0.132 0.000 2.096 208 R HA -0.040 4.301 4.340 0.001 0.000 0.235 208 R C 1.931 178.256 176.300 0.042 0.000 1.127 208 R CA 1.810 57.960 56.100 0.084 0.000 0.968 208 R CB -0.229 30.101 30.300 0.049 0.000 0.861 208 R HN 0.512 nan 8.270 nan 0.000 0.440 209 E N -1.100 119.098 120.200 -0.002 0.000 2.427 209 E HA -0.058 4.292 4.350 0.001 0.000 0.196 209 E C 0.152 176.729 176.600 -0.038 0.000 1.028 209 E CA 0.332 56.709 56.400 -0.037 0.000 0.864 209 E CB 0.378 30.029 29.700 -0.081 0.000 0.813 209 E HN 0.342 nan 8.360 nan 0.000 0.514 210 C N 1.368 120.666 119.300 -0.004 0.000 2.814 210 C HA 0.209 4.669 4.460 0.001 0.000 0.242 210 C C -1.418 173.593 174.990 0.036 0.000 1.704 210 C CA -1.104 57.906 59.018 -0.012 0.000 1.608 210 C CB -0.057 27.663 27.740 -0.034 0.000 2.939 210 C HN 0.278 nan 8.230 nan 0.000 0.512 211 P HA -0.121 nan 4.420 nan 0.000 0.218 211 P C 0.591 177.760 177.300 -0.220 0.000 1.148 211 P CA 1.700 64.709 63.100 -0.153 0.000 0.822 211 P CB 0.236 31.859 31.700 -0.128 0.000 0.784 212 D N -0.550 119.758 120.400 -0.152 0.000 2.325 212 D HA 0.156 4.797 4.640 0.001 0.000 0.225 212 D C 0.688 176.808 176.300 -0.301 0.000 1.096 212 D CA 0.172 54.078 54.000 -0.158 0.000 0.844 212 D CB 0.221 40.995 40.800 -0.043 0.000 0.925 212 D HN 0.294 nan 8.370 nan 0.000 0.513 213 I N 2.733 123.040 120.570 -0.438 0.000 2.330 213 I HA 0.153 4.323 4.170 0.001 0.000 0.289 213 I C -2.017 173.626 176.117 -0.790 0.000 1.001 213 I CA -1.942 58.847 61.300 -0.852 0.000 1.193 213 I CB 2.078 39.756 38.000 -0.537 0.000 1.345 213 I HN -0.351 nan 8.210 nan 0.000 0.461 214 P HA 0.103 nan 4.420 nan 0.000 0.220 214 P C -0.459 176.655 177.300 -0.310 0.000 1.778 214 P CA -0.259 62.547 63.100 -0.489 0.000 0.912 214 P CB -0.784 30.694 31.700 -0.371 0.000 1.861 215 F N 0.106 119.973 119.950 -0.139 0.000 2.380 215 F HA 0.445 4.972 4.527 0.001 0.000 0.325 215 F C 0.618 176.380 175.800 -0.063 0.000 1.136 215 F CA -1.717 56.222 58.000 -0.101 0.000 1.171 215 F CB -0.285 38.667 39.000 -0.080 0.000 1.230 215 F HN -0.074 nan 8.300 nan 0.000 0.554 219 Q N 3.926 123.631 119.800 -0.158 0.000 2.426 219 Q HA -0.161 4.179 4.340 0.001 0.000 0.359 219 Q C -1.854 173.953 176.000 -0.321 0.000 1.381 219 Q CA 1.173 56.857 55.803 -0.199 0.000 1.060 219 Q CB -0.267 28.360 28.738 -0.184 0.000 1.253 219 Q HN 0.515 nan 8.270 nan 0.000 0.363 220 P HA -0.094 nan 4.420 nan 0.000 0.218 220 P C 0.064 177.182 177.300 -0.304 0.000 1.149 220 P CA 0.983 63.799 63.100 -0.472 0.000 0.817 220 P CB 0.292 31.925 31.700 -0.110 0.000 0.785 221 C N -1.266 117.945 119.300 -0.148 0.000 2.668 221 C HA 0.344 4.804 4.460 0.001 0.000 0.355 221 C C 2.019 176.957 174.990 -0.087 0.000 1.277 221 C CA -0.333 58.646 59.018 -0.065 0.000 1.787 221 C CB 0.482 28.220 27.740 -0.003 0.000 2.233 221 C HN 0.115 nan 8.230 nan 0.000 0.495 222 N N 0.337 119.006 118.700 -0.051 0.000 2.446 222 N HA -0.002 4.738 4.740 0.001 0.000 0.179 222 N C 0.263 175.754 175.510 -0.032 0.000 1.054 222 N CA 0.796 53.813 53.050 -0.056 0.000 0.905 222 N CB 0.212 38.676 38.487 -0.037 0.000 0.973 222 N HN 0.831 nan 8.380 nan 0.000 0.448 223 S N -2.535 113.162 115.700 -0.005 0.000 2.618 223 S HA 0.270 4.740 4.470 0.001 0.000 0.277 223 S C 0.443 175.093 174.600 0.084 0.000 1.138 223 S CA -0.870 57.357 58.200 0.044 0.000 0.844 223 S CB 0.141 63.373 63.200 0.053 0.000 1.127 223 S HN 0.058 nan 8.310 nan 0.000 0.474 224 F N 1.600 121.536 119.950 -0.023 0.000 2.126 224 F HA -0.067 4.460 4.527 0.001 0.000 0.299 224 F C 2.165 177.963 175.800 -0.005 0.000 1.096 224 F CA 2.205 60.199 58.000 -0.010 0.000 1.255 224 F CB -0.203 38.794 39.000 -0.006 0.000 0.997 224 F HN 0.780 nan 8.300 nan 0.000 0.479 225 E N 0.204 120.571 120.200 0.278 0.000 2.110 225 E HA -0.213 4.137 4.350 0.001 0.000 0.193 225 E C 1.753 178.394 176.600 0.069 0.000 0.988 225 E CA 1.560 58.063 56.400 0.171 0.000 0.804 225 E CB -0.348 29.422 29.700 0.117 0.000 0.745 225 E HN 0.396 nan 8.360 nan 0.000 0.458 226 D N -0.100 120.326 120.400 0.043 0.000 2.144 226 D HA -0.082 4.559 4.640 0.001 0.000 0.200 226 D C 1.852 178.142 176.300 -0.016 0.000 0.978 226 D CA 0.624 54.632 54.000 0.014 0.000 0.833 226 D CB -0.095 40.713 40.800 0.013 0.000 0.961 226 D HN 0.146 nan 8.370 nan 0.000 0.470 227 L N 0.731 121.916 121.223 -0.063 0.000 2.042 227 L HA -0.170 4.170 4.340 0.001 0.000 0.210 227 L C 2.256 179.060 176.870 -0.110 0.000 1.076 227 L CA 1.250 56.019 54.840 -0.119 0.000 0.749 227 L CB -0.457 41.461 42.059 -0.236 0.000 0.893 227 L HN 0.055 nan 8.230 nan 0.000 0.432 228 E N 0.162 120.300 120.200 -0.104 0.000 2.110 228 E HA -0.212 4.138 4.350 0.001 0.000 0.193 228 E C 2.299 178.890 176.600 -0.015 0.000 0.988 228 E CA 1.085 57.455 56.400 -0.050 0.000 0.804 228 E CB -0.139 29.578 29.700 0.027 0.000 0.745 228 E HN 0.514 nan 8.360 nan 0.000 0.458 229 A N 1.692 124.510 122.820 -0.003 0.000 1.877 229 A HA -0.165 4.155 4.320 0.001 0.000 0.216 229 A C 2.272 179.854 177.584 -0.003 0.000 1.186 229 A CA 1.487 53.527 52.037 0.004 0.000 0.620 229 A CB -0.691 18.316 19.000 0.013 0.000 0.822 229 A HN 0.392 nan 8.150 nan 0.000 0.443 230 I N -3.617 116.950 120.570 -0.005 0.000 3.030 230 I HA 0.086 4.256 4.170 0.001 0.000 0.270 230 I C 2.176 178.285 176.117 -0.014 0.000 1.211 230 I CA 1.226 62.528 61.300 0.002 0.000 1.479 230 I CB -0.236 37.782 38.000 0.029 0.000 1.105 230 I HN 0.146 nan 8.210 nan 0.000 0.447 231 R N 2.983 123.467 120.500 -0.027 0.000 2.112 231 R HA -0.105 4.235 4.340 0.001 0.000 0.242 231 R C -0.636 175.634 176.300 -0.050 0.000 1.137 231 R CA 2.422 58.500 56.100 -0.036 0.000 0.944 231 R CB -2.216 28.056 30.300 -0.047 0.000 0.857 231 R HN 0.299 nan 8.270 nan 0.000 0.435 232 P HA 0.001 nan 4.420 nan 0.000 0.234 232 P C 0.368 177.600 177.300 -0.113 0.000 1.167 232 P CA 1.038 64.099 63.100 -0.065 0.000 0.763 232 P CB 0.119 31.797 31.700 -0.036 0.000 0.835 233 L N -2.767 118.391 121.223 -0.108 0.000 2.858 233 L HA 0.218 4.558 4.340 0.001 0.000 0.251 233 L C 0.014 176.792 176.870 -0.155 0.000 1.149 233 L CA -0.071 54.695 54.840 -0.123 0.000 0.955 233 L CB 0.374 42.404 42.059 -0.048 0.000 1.289 233 L HN -0.144 nan 8.230 nan 0.000 0.542 234 C N -0.354 118.853 119.300 -0.155 0.000 2.369 234 C HA 0.367 4.827 4.460 0.001 0.000 0.322 234 C C 1.322 176.224 174.990 -0.146 0.000 1.258 234 C CA -0.623 58.356 59.018 -0.064 0.000 1.487 234 C CB 0.781 28.569 27.740 0.080 0.000 2.165 234 C HN 0.311 nan 8.230 nan 0.000 0.483 235 H N 0.132 119.214 119.070 0.019 0.000 2.539 235 H HA 0.071 4.628 4.556 0.001 0.000 0.267 235 H C 0.185 175.412 175.328 -0.168 0.000 0.982 235 H CA 0.625 56.624 56.048 -0.082 0.000 1.146 235 H CB 0.126 29.802 29.762 -0.142 0.000 1.382 235 H HN 0.686 nan 8.280 nan 0.000 0.577 236 H N 0.174 119.269 119.070 0.042 0.000 2.511 236 H HA 0.383 4.939 4.556 0.001 0.000 0.346 236 H C 0.332 175.677 175.328 0.028 0.000 1.128 236 H CA -0.055 55.983 56.048 -0.018 0.000 1.342 236 H CB 0.971 30.732 29.762 -0.001 0.000 1.470 236 H HN 0.221 nan 8.280 nan 0.000 0.546 237 A N 2.380 125.278 122.820 0.129 0.000 2.520 237 A HA 0.234 4.554 4.320 0.001 0.000 0.235 237 A C -0.511 177.149 177.584 0.127 0.000 1.065 237 A CA -0.028 52.077 52.037 0.113 0.000 0.764 237 A CB -0.093 18.966 19.000 0.100 0.000 1.002 237 A HN 0.495 nan 8.150 nan 0.000 0.502 238 L N 2.197 123.504 121.223 0.139 0.000 2.356 238 L HA 0.696 5.037 4.340 0.001 0.000 0.277 238 L C -1.290 175.718 176.870 0.231 0.000 0.996 238 L CA -0.291 54.618 54.840 0.115 0.000 0.822 238 L CB 1.184 43.269 42.059 0.042 0.000 1.256 238 L HN 0.661 nan 8.230 nan 0.000 0.413 242 E N 1.089 121.237 120.200 -0.086 0.000 2.171 242 E HA -0.100 4.250 4.350 0.001 0.000 0.197 242 E C 1.098 177.666 176.600 -0.054 0.000 0.997 242 E CA 1.541 57.871 56.400 -0.117 0.000 0.810 242 E CB -0.095 29.486 29.700 -0.199 0.000 0.738 242 E HN 0.346 nan 8.360 nan 0.000 0.467 243 D N -0.240 120.155 120.400 -0.007 0.000 2.348 243 D HA -0.029 4.612 4.640 0.001 0.000 0.216 243 D C 0.663 177.019 176.300 0.092 0.000 0.970 243 D CA 0.605 54.643 54.000 0.063 0.000 0.889 243 D CB -0.098 40.781 40.800 0.131 0.000 0.912 243 D HN 0.142 nan 8.370 nan 0.000 0.524 244 G N 1.130 109.968 108.800 0.063 0.000 3.101 244 G HA2 0.113 4.073 3.960 0.001 0.000 0.272 244 G HA3 0.113 4.073 3.960 0.001 0.000 0.272 244 G C 1.146 176.011 174.900 -0.059 0.000 0.801 244 G CA -0.182 44.936 45.100 0.029 0.000 1.978 244 G HN 0.082 nan 8.290 nan 0.000 0.591 245 T N -2.227 112.302 114.554 -0.040 0.000 3.107 245 T HA 0.341 4.691 4.350 0.001 0.000 0.249 245 T C 1.005 175.656 174.700 -0.081 0.000 1.096 245 T CA 0.361 62.428 62.100 -0.056 0.000 1.012 245 T CB 0.046 68.889 68.868 -0.041 0.000 0.977 245 T HN 0.772 nan 8.240 nan 0.000 0.527 246 S N -0.433 115.200 115.700 -0.112 0.000 2.595 246 S HA 0.498 4.968 4.470 0.001 0.000 0.270 246 S C 0.131 174.619 174.600 -0.186 0.000 1.145 246 S CA -0.881 57.228 58.200 -0.152 0.000 0.825 246 S CB 1.183 64.303 63.200 -0.133 0.000 1.107 246 S HN -0.015 nan 8.310 nan 0.000 0.461 247 L N 2.048 123.137 121.223 -0.224 0.000 2.083 247 L HA 0.067 4.408 4.340 0.001 0.000 0.209 247 L C 2.157 178.907 176.870 -0.200 0.000 1.083 247 L CA 2.459 57.163 54.840 -0.226 0.000 0.752 247 L CB -1.336 40.601 42.059 -0.204 0.000 0.899 247 L HN 0.951 nan 8.230 nan 0.000 0.433 248 N N -1.281 117.326 118.700 -0.155 0.000 2.036 248 N HA -0.213 4.527 4.740 0.001 0.000 0.195 248 N C 1.680 177.135 175.510 -0.092 0.000 1.037 248 N CA 2.352 55.335 53.050 -0.111 0.000 0.855 248 N CB -0.355 38.074 38.487 -0.097 0.000 1.033 248 N HN 0.377 nan 8.380 nan 0.000 0.423 249 T N -0.385 114.118 114.554 -0.085 0.000 2.788 249 T HA -0.055 4.295 4.350 0.001 0.000 0.268 249 T C 1.951 176.696 174.700 0.074 0.000 1.044 249 T CA 1.108 63.196 62.100 -0.020 0.000 1.139 249 T CB -0.394 68.468 68.868 -0.009 0.000 0.867 249 T HN 0.035 nan 8.240 nan 0.000 0.454 250 V N 1.423 121.305 119.914 -0.052 0.000 2.287 250 V HA -0.153 3.967 4.120 0.001 0.000 0.248 250 V C 2.356 178.333 176.094 -0.194 0.000 1.053 250 V CA 1.518 63.741 62.300 -0.127 0.000 1.027 250 V CB -0.558 30.989 31.823 -0.459 0.000 0.646 250 V HN 0.494 nan 8.190 nan 0.000 0.447 251 I N -0.197 120.204 120.570 -0.281 0.000 2.286 251 I HA -0.244 3.926 4.170 0.001 0.000 0.248 251 I C 2.495 178.700 176.117 0.146 0.000 1.115 251 I CA 1.815 63.071 61.300 -0.073 0.000 1.392 251 I CB -0.674 37.307 38.000 -0.032 0.000 1.065 251 I HN 0.331 nan 8.210 nan 0.000 0.418 252 T N 0.780 115.407 114.554 0.121 0.000 2.684 252 T HA -0.196 4.155 4.350 0.001 0.000 0.267 252 T C 2.078 176.966 174.700 0.313 0.000 1.036 252 T CA 1.569 63.781 62.100 0.187 0.000 1.148 252 T CB -0.357 68.580 68.868 0.115 0.000 0.863 252 T HN 0.495 nan 8.240 nan 0.000 0.436 253 A N 1.316 124.369 122.820 0.388 0.000 1.898 253 A HA 0.203 4.523 4.320 0.001 0.000 0.216 253 A C 2.621 180.382 177.584 0.294 0.000 1.181 253 A CA 1.816 54.043 52.037 0.315 0.000 0.620 253 A CB -1.064 18.122 19.000 0.310 0.000 0.819 253 A HN 0.511 nan 8.150 nan 0.000 0.442 254 A N -0.214 122.898 122.820 0.486 0.000 1.872 254 A HA 0.255 4.575 4.320 0.001 0.000 0.214 254 A C 2.522 180.289 177.584 0.305 0.000 1.187 254 A CA 1.871 54.238 52.037 0.549 0.000 0.614 254 A CB -1.103 18.714 19.000 1.362 0.000 0.826 254 A HN 1.056 nan 8.150 nan 0.000 0.442 255 A N -0.163 122.848 122.820 0.319 0.000 1.940 255 A HA -0.132 4.188 4.320 0.001 0.000 0.219 255 A C 2.265 179.927 177.584 0.131 0.000 1.176 255 A CA 2.471 54.620 52.037 0.188 0.000 0.631 255 A CB -1.317 17.791 19.000 0.181 0.000 0.814 255 A HN 0.847 nan 8.150 nan 0.000 0.446 256 T N -3.946 110.694 114.554 0.144 0.000 3.169 256 T HA 0.236 4.587 4.350 0.001 0.000 0.250 256 T C 0.593 175.334 174.700 0.068 0.000 1.111 256 T CA 0.807 62.969 62.100 0.102 0.000 1.010 256 T CB -0.483 68.459 68.868 0.122 0.000 0.984 256 T HN 0.622 nan 8.240 nan 0.000 0.537 257 S N 0.248 115.989 115.700 0.069 0.000 3.581 257 S HA -0.148 4.322 4.470 0.001 0.000 0.354 257 S C 0.862 175.463 174.600 0.002 0.000 1.059 257 S CA 0.539 58.759 58.200 0.034 0.000 1.060 257 S CB -2.123 61.090 63.200 0.022 0.000 0.908 257 S HN 0.586 nan 8.310 nan 0.000 0.475 258 L N 0.759 121.977 121.223 -0.009 0.000 2.131 258 L HA 0.119 4.459 4.340 0.001 0.000 0.210 258 L C 0.906 177.711 176.870 -0.109 0.000 1.092 258 L CA 2.147 56.938 54.840 -0.081 0.000 0.759 258 L CB -0.014 41.944 42.059 -0.169 0.000 0.903 258 L HN 0.625 nan 8.230 nan 0.000 0.435 259 V N -4.879 114.960 119.914 -0.125 0.000 3.074 259 V HA 0.504 4.625 4.120 0.001 0.000 0.314 259 V C -0.063 175.939 176.094 -0.154 0.000 1.117 259 V CA -0.673 61.520 62.300 -0.179 0.000 1.014 259 V CB 1.682 33.274 31.823 -0.384 0.000 1.057 259 V HN 0.060 nan 8.190 nan 0.000 0.438 260 D N 1.229 121.570 120.400 -0.098 0.000 2.369 260 D HA 0.455 5.095 4.640 0.001 0.000 0.211 260 D C 0.642 176.792 176.300 -0.250 0.000 1.077 260 D CA 1.276 55.250 54.000 -0.044 0.000 0.842 260 D CB 1.383 42.267 40.800 0.139 0.000 0.947 260 D HN 1.129 nan 8.370 nan 0.000 0.509 261 G N 0.046 108.418 108.800 -0.713 0.000 2.315 261 G HA2 0.397 4.357 3.960 0.001 0.000 0.294 261 G HA3 0.397 4.357 3.960 0.001 0.000 0.294 261 G C -1.997 172.133 174.900 -1.283 0.000 1.300 261 G CA -0.951 43.460 45.100 -1.148 0.000 0.843 261 G HN -0.002 nan 8.290 nan 0.000 0.527 262 F N -0.235 119.426 119.950 -0.481 0.000 2.578 262 F HA 0.696 5.223 4.527 0.001 0.000 0.311 262 F C 0.836 176.705 175.800 0.114 0.000 1.094 262 F CA -0.081 57.906 58.000 -0.022 0.000 0.923 262 F CB 2.474 41.644 39.000 0.283 0.000 1.230 262 F HN 0.797 nan 8.300 nan 0.000 0.450 266 V N 0.840 120.805 119.914 0.085 0.000 2.332 266 V HA -0.285 3.835 4.120 0.001 0.000 0.248 266 V C 2.217 178.373 176.094 0.103 0.000 1.055 266 V CA 2.609 64.959 62.300 0.084 0.000 1.038 266 V CB -0.552 31.338 31.823 0.111 0.000 0.651 266 V HN 0.955 nan 8.190 nan 0.000 0.450 267 S N 0.606 116.387 115.700 0.134 0.000 2.383 267 S HA -0.266 4.204 4.470 0.001 0.000 0.227 267 S C 2.085 176.781 174.600 0.161 0.000 1.026 267 S CA 1.562 59.866 58.200 0.173 0.000 0.981 267 S CB -0.533 62.800 63.200 0.222 0.000 0.818 267 S HN 0.589 nan 8.310 nan 0.000 0.472 268 R N 0.786 121.347 120.500 0.101 0.000 2.096 268 R HA 0.161 4.501 4.340 0.001 0.000 0.235 268 R C 2.216 178.531 176.300 0.025 0.000 1.127 268 R CA 1.486 57.620 56.100 0.056 0.000 0.968 268 R CB -0.323 29.978 30.300 0.002 0.000 0.861 268 R HN 0.555 nan 8.270 nan 0.000 0.440 269 I N -0.533 120.034 120.570 -0.004 0.000 3.578 269 I HA 0.095 4.265 4.170 0.001 0.000 0.295 269 I C 0.420 176.596 176.117 0.099 0.000 1.280 269 I CA 0.968 62.248 61.300 -0.034 0.000 1.347 269 I CB 0.453 38.370 38.000 -0.139 0.000 1.051 269 I HN 0.573 nan 8.210 nan 0.000 0.460 270 G N 0.818 109.720 108.800 0.169 0.000 2.138 270 G HA2 -0.020 3.941 3.960 0.001 0.000 0.193 270 G HA3 -0.020 3.941 3.960 0.001 0.000 0.193 270 G C 0.476 175.560 174.900 0.306 0.000 0.998 270 G CA -0.259 45.012 45.100 0.284 0.000 0.668 270 G HN 1.069 nan 8.290 nan 0.000 0.516 271 G N -1.789 107.129 108.800 0.196 0.000 2.384 271 G HA2 0.167 4.127 3.960 0.001 0.000 0.668 271 G HA3 0.167 4.127 3.960 0.001 0.000 0.668 271 G C 0.675 175.620 174.900 0.074 0.000 1.280 271 G CA -0.113 45.077 45.100 0.150 0.000 0.992 271 G HN 0.991 nan 8.290 nan 0.000 0.512 272 L N -0.116 121.110 121.223 0.005 0.000 2.131 272 L HA -0.098 4.242 4.340 0.001 0.000 0.210 272 L C 3.022 179.859 176.870 -0.054 0.000 1.092 272 L CA 2.196 56.968 54.840 -0.113 0.000 0.759 272 L CB -0.310 41.465 42.059 -0.474 0.000 0.903 272 L HN 0.715 nan 8.230 nan 0.000 0.435 273 Q N -0.282 119.519 119.800 0.003 0.000 2.084 273 Q HA -0.128 4.212 4.340 0.001 0.000 0.202 273 Q C 0.999 176.922 176.000 -0.128 0.000 0.978 273 Q CA 1.466 57.236 55.803 -0.054 0.000 0.844 273 Q CB -0.053 28.539 28.738 -0.242 0.000 0.898 273 Q HN 0.412 nan 8.270 nan 0.000 0.426 277 A N 1.371 124.264 122.820 0.121 0.000 1.877 277 A HA -0.074 4.246 4.320 0.001 0.000 0.216 277 A C 1.903 179.549 177.584 0.104 0.000 1.186 277 A CA 1.601 53.704 52.037 0.110 0.000 0.620 277 A CB -0.768 18.301 19.000 0.115 0.000 0.822 277 A HN 0.399 nan 8.150 nan 0.000 0.443 278 F N 0.888 120.808 119.950 -0.051 0.000 2.095 278 F HA -0.222 4.306 4.527 0.001 0.000 0.298 278 F C 2.365 178.101 175.800 -0.107 0.000 1.104 278 F CA 2.194 60.105 58.000 -0.148 0.000 1.232 278 F CB -0.334 38.518 39.000 -0.246 0.000 0.987 278 F HN 0.255 nan 8.300 nan 0.000 0.475 279 R N 0.347 120.731 120.500 -0.194 0.000 2.083 279 R HA -0.188 4.153 4.340 0.001 0.000 0.237 279 R C 1.831 178.053 176.300 -0.130 0.000 1.137 279 R CA 2.222 58.188 56.100 -0.223 0.000 0.951 279 R CB -0.723 29.609 30.300 0.053 0.000 0.851 279 R HN 0.273 nan 8.270 nan 0.000 0.434 280 D N -0.038 120.342 120.400 -0.033 0.000 2.144 280 D HA -0.164 4.477 4.640 0.001 0.000 0.200 280 D C 1.590 177.879 176.300 -0.019 0.000 0.978 280 D CA 1.026 55.025 54.000 -0.002 0.000 0.833 280 D CB -0.412 40.411 40.800 0.038 0.000 0.961 280 D HN 0.256 nan 8.370 nan 0.000 0.470 281 F N 1.388 121.234 119.950 -0.173 0.000 2.069 281 F HA -0.277 4.250 4.527 0.001 0.000 0.298 281 F C 2.268 177.944 175.800 -0.207 0.000 1.113 281 F CA 1.424 59.318 58.000 -0.176 0.000 1.214 281 F CB -0.364 38.514 39.000 -0.205 0.000 0.978 281 F HN -0.039 nan 8.300 nan 0.000 0.474 282 C N 0.777 119.928 119.300 -0.249 0.000 2.425 282 C HA -0.045 4.416 4.460 0.001 0.000 0.277 282 C C 3.179 178.066 174.990 -0.171 0.000 1.280 282 C CA 0.998 59.857 59.018 -0.265 0.000 1.744 282 C CB -1.872 25.695 27.740 -0.287 0.000 1.989 282 C HN 0.685 nan 8.230 nan 0.000 0.491 283 A N 0.625 123.376 122.820 -0.115 0.000 1.902 283 A HA 0.042 4.362 4.320 0.001 0.000 0.217 283 A C 2.368 179.893 177.584 -0.099 0.000 1.181 283 A CA 2.054 54.054 52.037 -0.061 0.000 0.623 283 A CB -0.874 18.113 19.000 -0.021 0.000 0.818 283 A HN 0.570 nan 8.150 nan 0.000 0.443 284 A N -0.837 121.893 122.820 -0.150 0.000 1.972 284 A HA -0.104 4.217 4.320 0.001 0.000 0.219 284 A C 2.028 179.498 177.584 -0.192 0.000 1.169 284 A CA 1.307 53.252 52.037 -0.153 0.000 0.635 284 A CB -0.265 18.639 19.000 -0.160 0.000 0.810 284 A HN 0.361 nan 8.150 nan 0.000 0.446 285 R N -1.135 119.189 120.500 -0.293 0.000 2.334 285 R HA 0.068 4.409 4.340 0.001 0.000 0.216 285 R C 0.132 176.346 176.300 -0.143 0.000 0.905 285 R CA 0.367 56.308 56.100 -0.265 0.000 1.064 285 R CB -0.898 29.129 30.300 -0.455 0.000 1.046 285 R HN 0.572 nan 8.270 nan 0.000 0.508 286 N N 0.855 119.492 118.700 -0.104 0.000 2.727 286 N HA -0.185 4.556 4.740 0.001 0.000 0.249 286 N C -1.352 174.144 175.510 -0.022 0.000 1.048 286 N CA 0.432 53.455 53.050 -0.046 0.000 0.714 286 N CB -1.204 37.263 38.487 -0.033 0.000 0.959 286 N HN 0.234 nan 8.380 nan 0.000 0.544 287 L N 0.354 121.569 121.223 -0.012 0.000 2.298 287 L HA 0.543 4.884 4.340 0.001 0.000 0.284 287 L C -1.910 175.017 176.870 0.095 0.000 1.013 287 L CA -1.894 52.965 54.840 0.032 0.000 0.824 287 L CB 1.579 43.696 42.059 0.097 0.000 1.221 287 L HN -0.018 nan 8.230 nan 0.000 0.418 288 P HA 0.177 nan 4.420 nan 0.000 0.269 288 P C -1.394 175.976 177.300 0.117 0.000 1.215 288 P CA 0.037 63.171 63.100 0.056 0.000 0.780 288 P CB 0.541 32.288 31.700 0.079 0.000 0.898 289 H N -2.755 116.388 119.070 0.121 0.000 3.014 289 H HA 0.650 5.206 4.556 0.001 0.000 0.337 289 H C -0.670 174.815 175.328 0.261 0.000 1.320 289 H CA -1.009 55.179 56.048 0.233 0.000 1.128 289 H CB 0.346 30.350 29.762 0.404 0.000 1.862 289 H HN 0.385 nan 8.280 nan 0.000 0.536 290 T N -1.207 113.584 114.554 0.394 0.000 2.862 290 T HA 0.485 4.835 4.350 0.001 0.000 0.276 290 T C -0.254 174.731 174.700 0.474 0.000 0.974 290 T CA -0.614 61.710 62.100 0.373 0.000 0.966 290 T CB 0.847 69.971 68.868 0.426 0.000 1.072 290 T HN 0.722 nan 8.240 nan 0.000 0.538 291 C N 2.487 122.019 119.300 0.387 0.000 2.814 291 C HA 0.560 5.020 4.460 0.001 0.000 0.269 291 C C -0.497 174.667 174.990 0.290 0.000 1.090 291 C CA -0.834 58.385 59.018 0.336 0.000 1.492 291 C CB -1.290 26.619 27.740 0.281 0.000 1.825 291 C HN 0.855 nan 8.230 nan 0.000 0.442 292 D N 0.645 121.219 120.400 0.289 0.000 2.525 292 D HA 0.627 5.267 4.640 0.001 0.000 0.249 292 D C -0.757 175.692 176.300 0.248 0.000 1.072 292 D CA -0.188 53.998 54.000 0.310 0.000 1.067 292 D CB 1.457 42.466 40.800 0.348 0.000 1.282 292 D HN 0.374 nan 8.370 nan 0.000 0.587 293 D N -2.127 118.451 120.400 0.297 0.000 2.626 293 D HA 0.539 5.179 4.640 0.001 0.000 0.278 293 D C 0.264 176.747 176.300 0.305 0.000 1.211 293 D CA -0.640 53.511 54.000 0.250 0.000 0.903 293 D CB 1.980 42.907 40.800 0.211 0.000 1.408 293 D HN 0.214 nan 8.370 nan 0.000 0.454 294 A N 0.547 123.527 122.820 0.267 0.000 1.858 294 A HA 0.084 4.405 4.320 0.001 0.000 0.216 294 A C 0.606 178.460 177.584 0.450 0.000 1.190 294 A CA 1.079 53.278 52.037 0.270 0.000 0.617 294 A CB -0.114 19.023 19.000 0.229 0.000 0.827 294 A HN 0.546 nan 8.150 nan 0.000 0.443 295 W N -3.378 118.034 121.300 0.186 0.000 2.926 295 W HA 0.410 5.070 4.660 0.001 0.000 0.361 295 W C -0.434 176.161 176.519 0.126 0.000 1.195 295 W CA 0.277 57.726 57.345 0.173 0.000 1.177 295 W CB 0.539 30.045 29.460 0.077 0.000 1.453 295 W HN 0.869 nan 8.180 nan 0.000 0.571 296 G N 0.310 109.172 108.800 0.103 0.000 2.361 296 G HA2 0.402 4.363 3.960 0.001 0.000 0.305 296 G HA3 0.402 4.363 3.960 0.001 0.000 0.305 296 G C -0.782 174.085 174.900 -0.055 0.000 1.367 296 G CA -0.101 45.092 45.100 0.156 0.000 0.951 296 G HN 0.962 nan 8.290 nan 0.000 0.615 297 G N -1.259 107.535 108.800 -0.010 0.000 2.773 297 G HA2 0.474 4.434 3.960 0.001 0.000 0.186 297 G HA3 0.474 4.434 3.960 0.001 0.000 0.186 297 G C 0.566 175.250 174.900 -0.361 0.000 1.411 297 G CA 0.829 45.688 45.100 -0.403 0.000 1.054 297 G HN 0.501 nan 8.290 nan 0.000 0.579 298 D N -0.509 119.533 120.400 -0.596 0.000 2.218 298 D HA -0.085 4.556 4.640 0.001 0.000 0.204 298 D C 2.459 178.764 176.300 0.009 0.000 0.976 298 D CA 0.621 54.501 54.000 -0.200 0.000 0.853 298 D CB 0.063 40.786 40.800 -0.128 0.000 0.939 298 D HN 0.287 nan 8.370 nan 0.000 0.481 299 I N 0.106 120.762 120.570 0.144 0.000 2.193 299 I HA -0.209 3.962 4.170 0.001 0.000 0.240 299 I C 2.494 178.699 176.117 0.147 0.000 1.084 299 I CA 0.525 61.939 61.300 0.190 0.000 1.365 299 I CB -0.221 37.930 38.000 0.251 0.000 1.064 299 I HN -0.145 nan 8.210 nan 0.000 0.410 300 V N 0.275 120.268 119.914 0.131 0.000 2.287 300 V HA -0.301 3.820 4.120 0.001 0.000 0.248 300 V C 2.561 178.692 176.094 0.062 0.000 1.053 300 V CA 2.294 64.657 62.300 0.106 0.000 1.027 300 V CB -0.607 31.281 31.823 0.107 0.000 0.646 300 V HN 0.386 nan 8.190 nan 0.000 0.447 301 S N -0.017 115.680 115.700 -0.005 0.000 2.368 301 S HA -0.185 4.286 4.470 0.001 0.000 0.225 301 S C 2.193 176.803 174.600 0.016 0.000 1.030 301 S CA 1.421 59.594 58.200 -0.045 0.000 0.999 301 S CB -0.492 62.633 63.200 -0.125 0.000 0.844 301 S HN 0.669 nan 8.310 nan 0.000 0.459 302 A N 1.712 124.571 122.820 0.067 0.000 1.877 302 A HA 0.103 4.424 4.320 0.001 0.000 0.216 302 A C 2.390 180.128 177.584 0.257 0.000 1.186 302 A CA 1.731 53.861 52.037 0.154 0.000 0.620 302 A CB -1.221 17.900 19.000 0.202 0.000 0.822 302 A HN 0.512 nan 8.150 nan 0.000 0.443 303 A N -0.734 122.205 122.820 0.199 0.000 1.873 303 A HA -0.240 4.080 4.320 0.001 0.000 0.218 303 A C 2.345 180.030 177.584 0.169 0.000 1.193 303 A CA 1.897 54.042 52.037 0.181 0.000 0.629 303 A CB -1.433 17.646 19.000 0.132 0.000 0.826 303 A HN 0.630 nan 8.150 nan 0.000 0.447 304 C N -1.163 118.215 119.300 0.129 0.000 2.429 304 C HA -0.077 4.383 4.460 0.001 0.000 0.277 304 C C 3.051 178.105 174.990 0.106 0.000 1.262 304 C CA 1.529 60.620 59.018 0.122 0.000 1.733 304 C CB -1.580 26.221 27.740 0.103 0.000 2.010 304 C HN 0.666 nan 8.230 nan 0.000 0.483 305 T N -0.673 113.917 114.554 0.059 0.000 2.777 305 T HA -0.151 4.199 4.350 0.001 0.000 0.266 305 T C 1.658 176.348 174.700 -0.017 0.000 1.040 305 T CA 1.287 63.380 62.100 -0.011 0.000 1.141 305 T CB -0.426 68.388 68.868 -0.090 0.000 0.868 305 T HN 0.613 nan 8.240 nan 0.000 0.444 306 H N 0.257 119.383 119.070 0.093 0.000 2.319 306 H HA -0.019 4.537 4.556 0.001 0.000 0.299 306 H C 2.437 177.835 175.328 0.117 0.000 1.092 306 H CA 1.477 57.606 56.048 0.135 0.000 1.302 306 H CB -0.451 29.388 29.762 0.127 0.000 1.373 306 H HN 0.237 nan 8.280 nan 0.000 0.497 307 I N 1.117 121.820 120.570 0.221 0.000 2.252 307 I HA -0.161 4.009 4.170 0.001 0.000 0.245 307 I C 2.528 178.742 176.117 0.162 0.000 1.102 307 I CA 1.287 62.693 61.300 0.177 0.000 1.385 307 I CB -0.509 37.588 38.000 0.163 0.000 1.064 307 I HN 0.154 nan 8.210 nan 0.000 0.414 308 A N -0.191 122.713 122.820 0.140 0.000 1.978 308 A HA -0.242 4.078 4.320 0.001 0.000 0.220 308 A C 2.478 180.100 177.584 0.063 0.000 1.170 308 A CA 2.103 54.208 52.037 0.114 0.000 0.636 308 A CB -1.301 17.755 19.000 0.093 0.000 0.810 308 A HN 0.629 nan 8.150 nan 0.000 0.448 309 S N -0.377 115.341 115.700 0.030 0.000 2.474 309 S HA -0.119 4.352 4.470 0.001 0.000 0.235 309 S C 1.618 176.213 174.600 -0.009 0.000 0.997 309 S CA 1.732 59.910 58.200 -0.035 0.000 0.949 309 S CB -1.031 62.084 63.200 -0.142 0.000 0.766 309 S HN 0.817 nan 8.310 nan 0.000 0.517 310 T N -0.906 113.680 114.554 0.053 0.000 3.086 310 T HA 0.376 4.727 4.350 0.001 0.000 0.250 310 T C 0.312 175.057 174.700 0.075 0.000 1.074 310 T CA -0.301 61.840 62.100 0.068 0.000 0.988 310 T CB -0.224 68.707 68.868 0.105 0.000 0.988 310 T HN 0.165 nan 8.240 nan 0.000 0.530 311 V N 2.538 122.498 119.914 0.077 0.000 2.481 311 V HA 0.422 4.542 4.120 0.001 0.000 0.286 311 V C 0.346 176.461 176.094 0.035 0.000 1.042 311 V CA -1.342 61.006 62.300 0.080 0.000 0.928 311 V CB 1.253 33.124 31.823 0.080 0.000 0.986 311 V HN 0.458 nan 8.190 nan 0.000 0.462 312 L N 8.527 129.770 121.223 0.033 0.000 2.628 312 L HA 0.160 4.501 4.340 0.001 0.000 0.274 312 L C -1.457 175.416 176.870 0.005 0.000 1.209 312 L CA -0.309 54.541 54.840 0.017 0.000 0.930 312 L CB 0.464 42.533 42.059 0.018 0.000 1.183 312 L HN 0.442 nan 8.230 nan 0.000 0.492 313 P HA -0.205 nan 4.420 nan 0.000 0.218 313 P C 0.979 178.286 177.300 0.011 0.000 1.146 313 P CA 1.788 64.892 63.100 0.007 0.000 0.813 313 P CB -0.049 31.657 31.700 0.008 0.000 0.778 314 R N -1.501 119.007 120.500 0.012 0.000 2.235 314 R HA 0.038 4.378 4.340 0.001 0.000 0.213 314 R C 0.846 177.157 176.300 0.017 0.000 1.059 314 R CA 0.672 56.784 56.100 0.019 0.000 0.997 314 R CB -0.801 29.511 30.300 0.019 0.000 0.884 314 R HN 0.195 nan 8.270 nan 0.000 0.462 318 G N 1.156 110.113 108.800 0.261 0.000 2.379 318 G HA2 0.330 4.291 3.960 0.001 0.000 0.609 318 G HA3 0.330 4.291 3.960 0.001 0.000 0.609 318 G C -1.173 173.973 174.900 0.411 0.000 1.484 318 G CA -0.377 44.953 45.100 0.383 0.000 0.921 318 G HN 0.304 nan 8.290 nan 0.000 0.658 319 A N 0.949 123.925 122.820 0.260 0.000 2.366 319 A HA 0.598 4.919 4.320 0.001 0.000 0.322 319 A C -0.284 177.355 177.584 0.093 0.000 1.397 319 A CA -0.276 51.879 52.037 0.198 0.000 0.984 319 A CB 0.045 19.110 19.000 0.109 0.000 1.149 319 A HN 1.581 nan 8.150 nan 0.000 0.540 320 W N 4.322 125.522 121.300 -0.167 0.000 2.266 320 W HA 0.533 5.193 4.660 0.000 0.000 0.317 320 W C -1.028 175.350 176.519 -0.234 0.000 1.310 320 W CA 0.032 57.118 57.345 -0.431 0.000 1.207 320 W CB 0.451 29.479 29.460 -0.721 0.000 1.199 320 W HN 0.517 nan 8.180 nan 0.000 0.544 321 L N 6.325 126.879 121.223 -1.116 0.000 2.354 321 L HA 0.510 4.851 4.340 0.001 0.000 0.269 321 L C 0.931 176.664 176.870 -1.895 0.000 1.005 321 L CA -0.921 53.239 54.840 -1.132 0.000 0.819 321 L CB 1.766 43.450 42.059 -0.626 0.000 1.311 321 L HN 0.657 nan 8.230 nan 0.000 0.423 322 A N 0.369 122.268 122.820 -1.535 0.000 2.167 322 A HA -0.088 4.233 4.320 0.001 0.000 0.214 322 A C 1.866 178.893 177.584 -0.929 0.000 1.151 322 A CA 0.457 51.608 52.037 -1.477 0.000 0.735 322 A CB -0.273 17.667 19.000 -1.766 0.000 0.802 322 A HN 0.900 nan 8.150 nan 0.000 0.467 323 Q N 0.721 120.075 119.800 -0.744 0.000 2.118 323 Q HA -0.203 4.137 4.340 0.001 0.000 0.211 323 Q C -0.952 174.767 176.000 -0.470 0.000 0.998 323 Q CA 2.574 58.067 55.803 -0.517 0.000 0.872 323 Q CB -1.308 27.194 28.738 -0.393 0.000 0.925 323 Q HN 0.472 nan 8.270 nan 0.000 0.414 324 P HA -0.110 nan 4.420 nan 0.000 0.225 324 P C 0.112 177.111 177.300 -0.501 0.000 1.148 324 P CA 1.155 63.936 63.100 -0.532 0.000 0.779 324 P CB -0.280 31.036 31.700 -0.640 0.000 0.780 325 Y N -2.288 117.875 120.300 -0.229 0.000 2.458 325 Y HA 0.180 4.730 4.550 0.001 0.000 0.256 325 Y C 0.803 176.706 175.900 0.006 0.000 1.159 325 Y CA -0.371 57.692 58.100 -0.062 0.000 1.261 325 Y CB -0.057 38.398 38.460 -0.008 0.000 1.119 325 Y HN -0.311 nan 8.280 nan 0.000 0.524 326 V N 0.588 120.486 119.914 -0.026 0.000 2.370 326 V HA 0.418 4.539 4.120 0.001 0.000 0.283 326 V C 0.959 177.002 176.094 -0.084 0.000 1.023 326 V CA -0.228 62.058 62.300 -0.023 0.000 0.857 326 V CB 1.144 32.868 31.823 -0.165 0.000 0.985 326 V HN 0.319 nan 8.190 nan 0.000 0.443 327 A N 4.038 126.858 122.820 0.000 0.000 1.930 327 A HA 0.023 4.343 4.320 0.001 0.000 0.217 327 A C 0.936 178.482 177.584 -0.065 0.000 1.175 327 A CA 0.982 53.012 52.037 -0.012 0.000 0.627 327 A CB 0.030 19.058 19.000 0.047 0.000 0.815 327 A HN 0.773 nan 8.150 nan 0.000 0.443 328 E N -0.524 119.637 120.200 -0.064 0.000 2.234 328 E HA 0.339 4.689 4.350 0.001 0.000 0.266 328 E C -1.166 175.340 176.600 -0.157 0.000 0.877 328 E CA -0.732 55.638 56.400 -0.051 0.000 0.758 328 E CB 0.784 30.537 29.700 0.088 0.000 1.170 328 E HN 0.521 nan 8.360 nan 0.000 0.415 329 H N 2.975 122.007 119.070 -0.062 0.000 2.707 329 H HA 0.011 4.567 4.556 0.001 0.000 0.359 329 H C 0.282 175.598 175.328 -0.021 0.000 1.113 329 H CA 0.373 56.342 56.048 -0.133 0.000 1.422 329 H CB 0.697 30.392 29.762 -0.111 0.000 1.443 329 H HN 0.641 nan 8.280 nan 0.000 0.591 330 Y N -0.055 120.263 120.300 0.029 0.000 2.286 330 Y HA -0.076 4.475 4.550 0.001 0.000 0.293 330 Y C 1.155 176.958 175.900 -0.161 0.000 1.124 330 Y CA 0.525 58.543 58.100 -0.137 0.000 1.178 330 Y CB 0.226 38.607 38.460 -0.131 0.000 1.010 330 Y HN 0.487 nan 8.280 nan 0.000 0.536 331 D N -0.406 120.027 120.400 0.054 0.000 2.469 331 D HA 0.438 5.079 4.640 0.001 0.000 0.251 331 D C 0.722 176.972 176.300 -0.083 0.000 1.173 331 D CA -0.123 53.857 54.000 -0.033 0.000 0.882 331 D CB 1.493 42.267 40.800 -0.042 0.000 1.129 331 D HN 0.063 nan 8.370 nan 0.000 0.549 332 A N 3.622 126.402 122.820 -0.067 0.000 2.067 332 A HA -0.117 4.203 4.320 0.001 0.000 0.219 332 A C 1.780 179.263 177.584 -0.167 0.000 1.158 332 A CA 1.279 53.252 52.037 -0.106 0.000 0.661 332 A CB -0.222 18.755 19.000 -0.038 0.000 0.801 332 A HN 0.662 nan 8.150 nan 0.000 0.452 333 E N -0.452 119.674 120.200 -0.124 0.000 2.060 333 E HA -0.079 4.271 4.350 0.001 0.000 0.189 333 E C 1.156 177.675 176.600 -0.135 0.000 0.974 333 E CA 0.986 57.320 56.400 -0.110 0.000 0.808 333 E CB 0.033 29.694 29.700 -0.066 0.000 0.768 333 E HN 0.579 nan 8.360 nan 0.000 0.453 334 N N -0.098 118.523 118.700 -0.132 0.000 2.227 334 N HA 0.073 4.814 4.740 0.001 0.000 0.196 334 N C 0.254 175.680 175.510 -0.139 0.000 1.142 334 N CA 0.404 53.391 53.050 -0.106 0.000 0.887 334 N CB 0.956 39.417 38.487 -0.044 0.000 1.022 334 N HN 0.021 nan 8.380 nan 0.000 0.500 335 G N 1.995 110.658 108.800 -0.230 0.000 2.353 335 G HA2 0.223 4.183 3.960 0.001 0.000 0.239 335 G HA3 0.223 4.183 3.960 0.001 0.000 0.239 335 G C 0.633 175.407 174.900 -0.211 0.000 1.295 335 G CA -0.194 44.777 45.100 -0.215 0.000 0.884 335 G HN 0.033 nan 8.290 nan 0.000 0.537 336 V N 1.108 120.974 119.914 -0.080 0.000 2.686 336 V HA 0.683 4.803 4.120 0.001 0.000 0.295 336 V C 0.271 176.342 176.094 -0.038 0.000 1.055 336 V CA -0.877 61.376 62.300 -0.077 0.000 1.050 336 V CB 0.820 32.597 31.823 -0.077 0.000 0.984 336 V HN 0.770 nan 8.190 nan 0.000 0.482 337 R N 3.690 124.149 120.500 -0.067 0.000 2.686 337 R HA 0.643 4.983 4.340 0.001 0.000 0.283 337 R C -1.019 175.220 176.300 -0.103 0.000 0.978 337 R CA -0.880 55.184 56.100 -0.059 0.000 0.897 337 R CB 2.477 32.758 30.300 -0.032 0.000 1.192 337 R HN 0.754 nan 8.270 nan 0.000 0.457 338 I N 2.297 122.790 120.570 -0.128 0.000 2.416 338 I HA 0.099 4.270 4.170 0.001 0.000 0.288 338 I C 0.029 176.060 176.117 -0.144 0.000 1.051 338 I CA 0.483 61.696 61.300 -0.145 0.000 1.375 338 I CB 0.620 38.532 38.000 -0.146 0.000 1.407 338 I HN 0.401 nan 8.210 nan 0.000 0.516 339 E N 4.746 124.854 120.200 -0.154 0.000 2.244 339 E HA 0.354 4.704 4.350 0.001 0.000 0.260 339 E C 0.282 176.779 176.600 -0.172 0.000 0.884 339 E CA -0.518 55.798 56.400 -0.140 0.000 0.777 339 E CB 1.874 31.512 29.700 -0.104 0.000 1.197 339 E HN 0.885 nan 8.360 nan 0.000 0.416 340 G N 2.426 111.111 108.800 -0.192 0.000 2.273 340 G HA2 -0.278 3.682 3.960 0.001 0.000 0.280 340 G HA3 -0.278 3.682 3.960 0.001 0.000 0.280 340 G C 0.882 175.589 174.900 -0.321 0.000 1.047 340 G CA 0.597 45.575 45.100 -0.204 0.000 0.869 340 G HN 1.163 nan 8.290 nan 0.000 0.502 341 G N -1.910 106.543 108.800 -0.578 0.000 2.155 341 G HA2 -0.259 3.701 3.960 0.001 0.000 0.257 341 G HA3 -0.259 3.701 3.960 0.001 0.000 0.257 341 G C 0.384 175.040 174.900 -0.407 0.000 0.983 341 G CA 1.334 45.863 45.100 -0.952 0.000 0.676 341 G HN 1.108 nan 8.290 nan 0.000 0.528 342 R N -1.276 119.071 120.500 -0.254 0.000 2.888 342 R HA 0.810 5.151 4.340 0.001 0.000 0.264 342 R C -0.712 175.516 176.300 -0.120 0.000 1.045 342 R CA -1.010 55.010 56.100 -0.133 0.000 0.962 342 R CB 1.488 31.730 30.300 -0.098 0.000 1.210 342 R HN 0.170 nan 8.270 nan 0.000 0.479 343 I N 0.889 121.406 120.570 -0.088 0.000 2.499 343 I HA 0.377 4.547 4.170 0.001 0.000 0.288 343 I C -0.191 175.875 176.117 -0.085 0.000 1.048 343 I CA -0.741 60.505 61.300 -0.090 0.000 1.062 343 I CB 2.118 40.066 38.000 -0.086 0.000 1.238 343 I HN 0.323 nan 8.210 nan 0.000 0.426 344 R N 5.226 125.674 120.500 -0.087 0.000 2.389 344 R HA 0.432 4.772 4.340 0.001 0.000 0.295 344 R C -0.957 175.284 176.300 -0.097 0.000 1.075 344 R CA -0.416 55.635 56.100 -0.082 0.000 1.005 344 R CB 0.956 31.212 30.300 -0.072 0.000 0.987 344 R HN 0.476 nan 8.270 nan 0.000 0.452 345 V N 7.885 127.734 119.914 -0.108 0.000 2.508 345 V HA 0.161 4.281 4.120 0.001 0.000 0.281 345 V C -1.868 174.168 176.094 -0.098 0.000 1.041 345 V CA -1.463 60.747 62.300 -0.151 0.000 1.016 345 V CB 0.996 32.697 31.823 -0.203 0.000 0.984 345 V HN 0.832 nan 8.190 nan 0.000 0.478 346 P HA 0.168 nan 4.420 nan 0.000 0.269 346 P C -0.004 177.387 177.300 0.151 0.000 1.209 346 P CA -0.129 62.971 63.100 -0.000 0.000 0.776 346 P CB 0.516 32.235 31.700 0.032 0.000 0.876 347 Q N 0.353 120.230 119.800 0.129 0.000 2.164 347 Q HA 0.203 4.543 4.340 0.001 0.000 0.226 347 Q C 1.063 177.110 176.000 0.078 0.000 0.813 347 Q CA 0.032 55.925 55.803 0.150 0.000 0.978 347 Q CB 0.509 29.312 28.738 0.107 0.000 1.149 347 Q HN 0.588 nan 8.270 nan 0.000 0.489 348 G N 2.630 111.470 108.800 0.067 0.000 2.684 348 G HA2 0.275 4.235 3.960 0.001 0.000 0.255 348 G HA3 0.275 4.235 3.960 0.001 0.000 0.255 348 G C -2.467 172.440 174.900 0.011 0.000 1.219 348 G CA -0.653 44.469 45.100 0.038 0.000 0.901 348 G HN -0.054 nan 8.290 nan 0.000 0.548 349 P HA 0.262 nan 4.420 nan 0.000 0.267 349 P C 1.034 178.316 177.300 -0.030 0.000 1.200 349 P CA 1.235 64.314 63.100 -0.035 0.000 0.772 349 P CB 0.592 32.282 31.700 -0.017 0.000 0.855 350 G N 1.389 110.140 108.800 -0.080 0.000 2.566 350 G HA2 -0.323 3.638 3.960 0.001 0.000 0.280 350 G HA3 -0.323 3.638 3.960 0.001 0.000 0.280 350 G C 0.817 175.634 174.900 -0.140 0.000 1.225 350 G CA 0.221 45.278 45.100 -0.073 0.000 0.966 350 G HN 0.487 nan 8.290 nan 0.000 0.560 351 L N 1.878 123.076 121.223 -0.042 0.000 2.362 351 L HA 0.294 4.634 4.340 0.001 0.000 0.219 351 L C 2.383 179.385 176.870 0.221 0.000 1.134 351 L CA 1.315 56.165 54.840 0.016 0.000 0.807 351 L CB -0.567 41.568 42.059 0.127 0.000 0.927 351 L HN 2.123 nan 8.230 nan 0.000 0.447 352 G N 0.326 109.208 108.800 0.137 0.000 2.142 352 G HA2 -0.235 3.725 3.960 0.001 0.000 0.225 352 G HA3 -0.235 3.725 3.960 0.001 0.000 0.225 352 G C -0.156 174.800 174.900 0.094 0.000 1.015 352 G CA -0.306 44.870 45.100 0.126 0.000 0.716 352 G HN 0.199 nan 8.290 nan 0.000 0.508 353 L N 0.338 121.622 121.223 0.103 0.000 2.346 353 L HA 0.725 5.066 4.340 0.001 0.000 0.274 353 L C -0.036 176.889 176.870 0.093 0.000 1.007 353 L CA -0.868 54.019 54.840 0.078 0.000 0.818 353 L CB 2.397 44.505 42.059 0.080 0.000 1.284 353 L HN 0.084 nan 8.230 nan 0.000 0.424 354 T N 3.754 118.338 114.554 0.051 0.000 2.809 354 T HA 0.607 4.958 4.350 0.001 0.000 0.296 354 T C -0.318 174.387 174.700 0.008 0.000 1.015 354 T CA -0.203 61.936 62.100 0.065 0.000 0.954 354 T CB 0.691 69.586 68.868 0.044 0.000 0.950 354 T HN 0.255 nan 8.240 nan 0.000 0.450 355 I N 2.409 122.988 120.570 0.015 0.000 2.436 355 I HA 0.275 4.446 4.170 0.001 0.000 0.289 355 I C 0.149 176.262 176.117 -0.007 0.000 1.010 355 I CA -0.992 60.203 61.300 -0.176 0.000 1.098 355 I CB 1.749 39.335 38.000 -0.691 0.000 1.266 355 I HN 0.509 nan 8.210 nan 0.000 0.434 356 D N 8.687 129.028 120.400 -0.098 0.000 2.493 356 D HA 0.012 4.653 4.640 0.001 0.000 0.240 356 D C -1.476 174.873 176.300 0.082 0.000 1.142 356 D CA -1.078 52.909 54.000 -0.022 0.000 0.872 356 D CB 1.584 42.323 40.800 -0.102 0.000 1.173 356 D HN 0.266 nan 8.370 nan 0.000 0.467 357 P HA -0.123 nan 4.420 nan 0.000 0.221 357 P C 0.238 177.624 177.300 0.142 0.000 1.145 357 P CA 1.127 64.379 63.100 0.253 0.000 0.795 357 P CB 0.255 32.039 31.700 0.141 0.000 0.775 358 E N -1.008 119.205 120.200 0.021 0.000 2.465 358 E HA 0.067 4.418 4.350 0.001 0.000 0.195 358 E C 1.688 178.171 176.600 -0.195 0.000 1.028 358 E CA -0.283 56.098 56.400 -0.031 0.000 0.899 358 E CB -0.021 29.682 29.700 0.004 0.000 1.032 358 E HN -0.021 nan 8.360 nan 0.000 0.468 359 R N 0.537 120.787 120.500 -0.417 0.000 2.159 359 R HA -0.129 4.211 4.340 0.001 0.000 0.237 359 R C 0.724 176.431 176.300 -0.988 0.000 1.131 359 R CA 1.504 57.118 56.100 -0.809 0.000 0.982 359 R CB -0.186 29.346 30.300 -1.279 0.000 0.868 359 R HN 0.082 nan 8.270 nan 0.000 0.453 360 F N -0.590 119.130 119.950 -0.383 0.000 2.668 360 F HA 0.472 5.000 4.527 0.000 0.000 0.301 360 F C 1.194 176.984 175.800 -0.017 0.000 1.106 360 F CA 0.207 58.024 58.000 -0.305 0.000 1.289 360 F CB 0.463 39.165 39.000 -0.496 0.000 1.006 360 F HN 0.269 nan 8.300 nan 0.000 0.535 361 G N 1.200 110.057 108.800 0.096 0.000 2.632 361 G HA2 -0.180 3.781 3.960 0.001 0.000 0.224 361 G HA3 -0.180 3.781 3.960 0.001 0.000 0.224 361 G C -2.747 172.339 174.900 0.310 0.000 1.341 361 G CA -1.104 44.105 45.100 0.183 0.000 0.880 361 G HN 0.040 nan 8.290 nan 0.000 0.566 362 P HA 0.396 nan 4.420 nan 0.000 0.272 362 P C -2.516 174.924 177.300 0.233 0.000 1.223 362 P CA -0.954 62.302 63.100 0.261 0.000 0.784 362 P CB -0.015 31.793 31.700 0.180 0.000 0.923 363 P HA 0.173 nan 4.420 nan 0.000 0.272 363 P C 0.892 177.875 177.300 -0.528 0.000 1.223 363 P CA -0.023 62.668 63.100 -0.682 0.000 0.784 363 P CB 0.439 31.558 31.700 -0.969 0.000 0.923 364 L N 0.565 121.577 121.223 -0.353 0.000 2.270 364 L HA 0.165 4.506 4.340 0.001 0.000 0.210 364 L C 0.697 177.580 176.870 0.022 0.000 1.104 364 L CA 0.971 55.761 54.840 -0.084 0.000 0.804 364 L CB -0.155 41.911 42.059 0.011 0.000 0.937 364 L HN 0.355 nan 8.230 nan 0.000 0.450 365 F N -0.395 119.352 119.950 -0.338 0.000 2.650 365 F HA 0.454 4.981 4.527 -0.000 0.000 0.310 365 F C -0.807 174.866 175.800 -0.211 0.000 1.112 365 F CA -0.840 57.061 58.000 -0.165 0.000 0.986 365 F CB 1.726 40.628 39.000 -0.165 0.000 1.285 365 F HN -0.184 nan 8.300 nan 0.000 0.440 366 S N 3.624 118.981 115.700 -0.571 0.000 2.556 366 S HA 0.960 5.431 4.470 0.001 0.000 0.271 366 S C -1.523 172.822 174.600 -0.424 0.000 1.135 366 S CA -0.461 57.570 58.200 -0.282 0.000 0.858 366 S CB 1.682 64.897 63.200 0.024 0.000 1.114 366 S HN 1.370 nan 8.310 nan 0.000 0.468 367 A N 1.714 124.448 122.820 -0.144 0.000 2.356 367 A HA 0.833 5.153 4.320 0.001 0.000 0.310 367 A C -0.722 176.865 177.584 0.004 0.000 1.075 367 A CA -0.770 51.218 52.037 -0.081 0.000 0.746 367 A CB 1.077 20.100 19.000 0.039 0.000 1.221 367 A HN 0.971 nan 8.150 nan 0.000 0.443 368 E N 2.312 122.530 120.200 0.030 0.000 2.290 368 E HA 0.593 4.943 4.350 0.001 0.000 0.274 368 E C 0.525 177.168 176.600 0.071 0.000 0.889 368 E CA -0.632 55.807 56.400 0.065 0.000 0.760 368 E CB 1.419 31.176 29.700 0.096 0.000 1.206 368 E HN 1.731 nan 8.360 nan 0.000 0.419 369 G N 3.182 112.013 108.800 0.053 0.000 2.672 369 G HA2 -0.381 3.580 3.960 0.001 0.000 0.324 369 G HA3 -0.381 3.580 3.960 0.001 0.000 0.324 369 G C 0.329 175.318 174.900 0.148 0.000 1.286 369 G CA 0.719 45.854 45.100 0.057 0.000 1.004 369 G HN 0.879 nan 8.290 nan 0.000 0.548 370 H N 0.737 119.659 119.070 -0.247 0.000 2.517 370 H HA 0.210 4.766 4.556 0.000 0.000 0.282 370 H C 0.216 175.323 175.328 -0.369 0.000 1.023 370 H CA -0.242 55.641 56.048 -0.276 0.000 1.169 370 H CB 0.206 29.799 29.762 -0.283 0.000 1.454 370 H HN 0.366 nan 8.280 nan 0.000 0.556 371 H N 0.706 119.770 119.070 -0.011 0.000 2.529 371 H HA 0.226 4.782 4.556 0.000 0.000 0.348 371 H C 0.233 175.344 175.328 -0.362 0.000 1.152 371 H CA -0.415 55.499 56.048 -0.223 0.000 1.202 371 H CB 1.567 31.189 29.762 -0.232 0.000 1.562 371 H HN 0.460 nan 8.280 nan 0.000 0.515 372 H N 0.054 118.873 119.070 -0.418 0.000 2.894 372 H HA 0.455 5.011 4.556 0.000 0.000 0.368 372 H C -1.170 173.568 175.328 -0.982 0.000 1.181 372 H CA -0.872 54.740 56.048 -0.727 0.000 1.146 372 H CB 2.244 31.757 29.762 -0.415 0.000 1.839 372 H HN 0.597 nan 8.280 nan 0.000 0.557 373 H N 1.292 120.069 119.070 -0.489 0.000 2.782 373 H HA 0.208 4.764 4.556 0.000 0.000 0.347 373 H C -0.517 174.574 175.328 -0.395 0.000 1.038 373 H CA -0.640 55.196 56.048 -0.353 0.000 1.255 373 H CB 1.570 31.137 29.762 -0.324 0.000 1.623 373 H HN 0.641 nan 8.280 nan 0.000 0.525 374 H N 3.092 122.242 119.070 0.134 0.000 2.604 374 H HA 0.180 4.737 4.556 0.002 0.000 0.306 374 H C 0.568 176.013 175.328 0.195 0.000 1.075 374 H CA -0.087 56.113 56.048 0.253 0.000 1.357 374 H CB 1.186 31.098 29.762 0.250 0.000 1.426 374 H HN 0.600 nan 8.280 nan 0.000 0.470 375 H N 0.000 119.157 119.070 0.144 0.000 2.539 375 H HA 0.000 4.556 4.556 0.001 0.000 0.296 375 H CA 0.000 56.096 56.048 0.079 0.000 1.023 375 H CB 0.000 29.786 29.762 0.039 0.000 1.292 375 H HN 0.000 nan 8.280 nan 0.000 0.496