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 3l62_1_A DATA FIRST_RESID 10 DATA SEQUENCE NLAPLPPHVP EHLVFDFDMY NPSNLSAGVQ EAWAVLQESN VPDLVWTRCN DATA SEQUENCE GGHWIATRGQ LIREAYEDYR HFSSECPFIP RXXXXAYDFI PTSMXPPEQR DATA SEQUENCE QFRALANQVV GMPVVDKLEN RIQELACSLI ESLRPQGQCN FTEDYAEPFP DATA SEQUENCE IRIFMLLAGL PEEDIPHLKY LTDQMTRPDG SMTFAEAKEA LYDYLIPIIE DATA SEQUENCE QRRQKPGTDA ISIVANGQVN GRPITSDEAK RMCGLLLVGG LDTVVNFLSF DATA SEQUENCE SMEFLAKSPE HRQELIERPE RIPAACEELL RRFSLVADGR ILTSDYEFHG DATA SEQUENCE VQLKKGDQIL LPQMLSGLDE RENAAPMHVD FSRQKVSHTT FGHGSHLCLG DATA SEQUENCE QHLARREIIV TLKEWLTRIP DFSIAPGAQI QHKSGIVSGV QALPLVWDPA DATA SEQUENCE TTKAV 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 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.497 175.510 -0.022 0.000 1.280 10 N CA 0.000 53.036 53.050 -0.023 0.000 0.885 10 N CB 0.000 38.468 38.487 -0.032 0.000 1.341 11 L N 2.072 123.282 121.223 -0.021 0.000 2.276 11 L HA 0.769 5.116 4.340 0.012 0.000 0.286 11 L C 0.342 177.217 176.870 0.007 0.000 1.061 11 L CA -0.950 53.880 54.840 -0.016 0.000 0.807 11 L CB 1.306 43.351 42.059 -0.022 0.000 1.177 11 L HN 0.236 nan 8.230 nan 0.000 0.429 12 A N 5.958 128.793 122.820 0.025 0.000 2.371 12 A HA 0.534 4.862 4.320 0.012 0.000 0.257 12 A C -2.144 175.483 177.584 0.072 0.000 1.089 12 A CA -1.154 50.915 52.037 0.054 0.000 0.794 12 A CB -0.298 18.749 19.000 0.079 0.000 1.029 12 A HN 0.500 nan 8.150 nan 0.000 0.488 13 P HA 0.124 nan 4.420 nan 0.000 0.268 13 P C -0.475 176.847 177.300 0.037 0.000 1.205 13 P CA -0.288 62.833 63.100 0.035 0.000 0.771 13 P CB 0.491 32.202 31.700 0.019 0.000 0.858 14 L N 6.364 127.578 121.223 -0.015 0.000 2.477 14 L HA 0.221 4.568 4.340 0.012 0.000 0.272 14 L C -2.093 174.644 176.870 -0.222 0.000 1.157 14 L CA -1.389 53.368 54.840 -0.138 0.000 0.889 14 L CB -0.794 41.159 42.059 -0.176 0.000 1.158 14 L HN 0.284 nan 8.230 nan 0.000 0.473 15 P HA 0.158 nan 4.420 nan 0.000 0.269 15 P C -2.134 174.994 177.300 -0.287 0.000 1.209 15 P CA -0.981 61.955 63.100 -0.273 0.000 0.776 15 P CB 0.049 31.571 31.700 -0.296 0.000 0.876 16 P HA -0.164 nan 4.420 nan 0.000 0.226 16 P C 1.008 178.279 177.300 -0.049 0.000 1.153 16 P CA 1.382 64.442 63.100 -0.068 0.000 0.777 16 P CB -0.287 31.410 31.700 -0.006 0.000 0.794 17 H N -0.985 118.010 119.070 -0.124 0.000 2.548 17 H HA 0.112 4.675 4.556 0.012 0.000 0.268 17 H C 0.058 175.337 175.328 -0.083 0.000 0.975 17 H CA 0.100 56.105 56.048 -0.071 0.000 1.195 17 H CB -0.834 28.917 29.762 -0.018 0.000 1.397 17 H HN -0.106 nan 8.280 nan 0.000 0.572 18 V N 5.410 124.936 119.914 -0.646 0.000 2.385 18 V HA 0.200 4.328 4.120 0.012 0.000 0.269 18 V C -2.011 173.884 176.094 -0.333 0.000 1.043 18 V CA -1.601 60.330 62.300 -0.615 0.000 0.906 18 V CB 1.220 32.280 31.823 -1.272 0.000 0.995 18 V HN 0.239 nan 8.190 nan 0.000 0.467 19 P HA 0.229 nan 4.420 nan 0.000 0.276 19 P C 0.641 177.844 177.300 -0.161 0.000 1.230 19 P CA -0.223 62.814 63.100 -0.105 0.000 0.776 19 P CB 1.035 32.729 31.700 -0.009 0.000 0.888 20 E N 1.152 121.318 120.200 -0.057 0.000 2.209 20 E HA -0.233 4.125 4.350 0.012 0.000 0.196 20 E C 1.645 178.249 176.600 0.006 0.000 0.993 20 E CA 1.008 57.388 56.400 -0.033 0.000 0.819 20 E CB -0.295 29.408 29.700 0.006 0.000 0.745 20 E HN 0.673 nan 8.360 nan 0.000 0.477 21 H N 0.074 119.163 119.070 0.032 0.000 2.545 21 H HA -0.020 4.543 4.556 0.012 0.000 0.282 21 H C 1.583 176.963 175.328 0.086 0.000 1.020 21 H CA 0.619 56.697 56.048 0.052 0.000 1.243 21 H CB -0.124 29.662 29.762 0.039 0.000 1.377 21 H HN 0.197 nan 8.280 nan 0.000 0.581 22 L N 1.453 122.479 121.223 -0.328 0.000 2.607 22 L HA 0.178 4.526 4.340 0.012 0.000 0.228 22 L C 0.177 177.099 176.870 0.087 0.000 1.123 22 L CA -0.260 54.520 54.840 -0.100 0.000 0.890 22 L CB 0.656 42.667 42.059 -0.080 0.000 1.103 22 L HN -0.012 nan 8.230 nan 0.000 0.468 23 V N 0.677 120.637 119.914 0.077 0.000 2.488 23 V HA 0.114 4.241 4.120 0.012 0.000 0.277 23 V C -0.617 175.596 176.094 0.198 0.000 1.046 23 V CA 0.067 62.449 62.300 0.137 0.000 0.986 23 V CB 1.055 32.925 31.823 0.079 0.000 0.989 23 V HN 0.076 nan 8.190 nan 0.000 0.475 24 F N 3.699 123.661 119.950 0.019 0.000 2.831 24 F HA 0.401 4.936 4.527 0.013 0.000 0.346 24 F C 0.106 175.898 175.800 -0.015 0.000 1.224 24 F CA -0.699 57.305 58.000 0.006 0.000 1.048 24 F CB 1.468 40.471 39.000 0.006 0.000 1.339 24 F HN 0.505 nan 8.300 nan 0.000 0.514 25 D N 6.622 126.851 120.400 -0.285 0.000 2.688 25 D HA 0.002 4.650 4.640 0.012 0.000 0.228 25 D C -0.348 175.850 176.300 -0.170 0.000 1.116 25 D CA 0.365 54.247 54.000 -0.197 0.000 1.023 25 D CB -0.142 40.543 40.800 -0.191 0.000 1.100 25 D HN 0.260 nan 8.370 nan 0.000 0.487 26 F N 1.841 121.698 119.950 -0.156 0.000 2.438 26 F HA 0.117 4.651 4.527 0.013 0.000 0.356 26 F C 0.424 176.116 175.800 -0.179 0.000 1.099 26 F CA -0.706 57.222 58.000 -0.120 0.000 1.185 26 F CB 0.846 39.855 39.000 0.014 0.000 1.115 26 F HN -0.120 nan 8.300 nan 0.000 0.526 27 D N 7.259 127.182 120.400 -0.795 0.000 2.412 27 D HA 0.107 4.754 4.640 0.012 0.000 0.224 27 D C 0.896 176.660 176.300 -0.893 0.000 1.093 27 D CA -0.448 53.203 54.000 -0.582 0.000 0.850 27 D CB 0.982 41.579 40.800 -0.338 0.000 1.046 27 D HN 0.746 nan 8.370 nan 0.000 0.507 28 M N 2.089 121.335 119.600 -0.590 0.000 2.460 28 M HA -0.077 4.411 4.480 0.012 0.000 0.263 28 M C 0.221 176.275 176.300 -0.409 0.000 1.071 28 M CA 1.166 56.134 55.300 -0.554 0.000 1.096 28 M CB -0.155 32.332 32.600 -0.188 0.000 1.408 28 M HN 0.187 nan 8.290 nan 0.000 0.463 29 Y N 0.617 120.858 120.300 -0.098 0.000 2.500 29 Y HA 0.282 4.840 4.550 0.013 0.000 0.270 29 Y C 0.709 176.575 175.900 -0.058 0.000 1.134 29 Y CA 0.087 58.173 58.100 -0.023 0.000 1.293 29 Y CB 0.351 38.797 38.460 -0.023 0.000 1.063 29 Y HN 0.464 nan 8.280 nan 0.000 0.534 30 N N 0.794 119.459 118.700 -0.060 0.000 2.679 30 N HA 0.109 4.856 4.740 0.012 0.000 0.240 30 N C -3.264 172.111 175.510 -0.225 0.000 1.537 30 N CA -1.046 51.956 53.050 -0.081 0.000 0.793 30 N CB 0.955 39.419 38.487 -0.039 0.000 1.391 30 N HN -0.150 nan 8.380 nan 0.000 0.524 31 P HA 0.130 nan 4.420 nan 0.000 0.271 31 P C 0.749 177.946 177.300 -0.172 0.000 1.218 31 P CA -0.011 62.818 63.100 -0.451 0.000 0.780 31 P CB 1.406 32.828 31.700 -0.462 0.000 0.901 32 S N 1.184 116.802 115.700 -0.136 0.000 2.365 32 S HA -0.170 4.308 4.470 0.012 0.000 0.225 32 S C 1.327 175.931 174.600 0.007 0.000 1.039 32 S CA 1.322 59.491 58.200 -0.051 0.000 1.033 32 S CB -0.655 62.526 63.200 -0.031 0.000 0.887 32 S HN 0.625 nan 8.310 nan 0.000 0.447 33 N N 1.108 119.839 118.700 0.052 0.000 2.455 33 N HA 0.126 4.874 4.740 0.012 0.000 0.258 33 N C 0.894 176.459 175.510 0.092 0.000 1.158 33 N CA -0.155 52.938 53.050 0.071 0.000 0.893 33 N CB 0.082 38.621 38.487 0.086 0.000 1.173 33 N HN 0.136 nan 8.380 nan 0.000 0.503 34 L N 1.150 122.424 121.223 0.084 0.000 2.043 34 L HA -0.235 4.112 4.340 0.012 0.000 0.212 34 L C 2.432 179.364 176.870 0.103 0.000 1.075 34 L CA 1.928 56.843 54.840 0.124 0.000 0.752 34 L CB -0.905 41.220 42.059 0.110 0.000 0.891 34 L HN 0.267 nan 8.230 nan 0.000 0.432 35 S N -0.817 114.919 115.700 0.059 0.000 2.419 35 S HA -0.161 4.316 4.470 0.012 0.000 0.235 35 S C 1.927 176.535 174.600 0.014 0.000 1.019 35 S CA 0.864 59.080 58.200 0.027 0.000 0.982 35 S CB -0.994 62.218 63.200 0.020 0.000 0.789 35 S HN 0.508 nan 8.310 nan 0.000 0.490 36 A N 1.175 124.023 122.820 0.046 0.000 2.235 36 A HA 0.551 4.879 4.320 0.012 0.000 0.208 36 A C 1.164 178.795 177.584 0.079 0.000 1.172 36 A CA 0.362 52.431 52.037 0.055 0.000 0.786 36 A CB -0.965 18.077 19.000 0.070 0.000 0.804 36 A HN 1.649 nan 8.150 nan 0.000 0.479 37 G N -2.259 106.596 108.800 0.093 0.000 3.055 37 G HA2 0.085 4.052 3.960 0.012 0.000 0.685 37 G HA3 0.085 4.052 3.960 0.012 0.000 0.685 37 G C 0.344 175.475 174.900 0.385 0.000 1.212 37 G CA -0.179 45.060 45.100 0.231 0.000 0.822 37 G HN 0.843 nan 8.290 nan 0.000 0.610 38 V N 1.924 122.218 119.914 0.633 0.000 2.358 38 V HA -0.147 3.980 4.120 0.012 0.000 0.246 38 V C 2.683 179.000 176.094 0.372 0.000 1.047 38 V CA 3.299 65.880 62.300 0.468 0.000 1.035 38 V CB -0.285 31.796 31.823 0.430 0.000 0.658 38 V HN 0.818 nan 8.190 nan 0.000 0.452 39 Q N 0.052 119.949 119.800 0.161 0.000 2.084 39 Q HA -0.229 4.119 4.340 0.012 0.000 0.202 39 Q C 2.074 178.169 176.000 0.158 0.000 0.978 39 Q CA 2.264 58.104 55.803 0.061 0.000 0.844 39 Q CB -0.335 28.340 28.738 -0.105 0.000 0.898 39 Q HN 0.705 nan 8.270 nan 0.000 0.426 40 E N 0.236 120.535 120.200 0.165 0.000 2.118 40 E HA -0.169 4.189 4.350 0.012 0.000 0.195 40 E C 1.831 178.546 176.600 0.192 0.000 0.992 40 E CA 1.291 57.779 56.400 0.145 0.000 0.804 40 E CB -0.372 29.407 29.700 0.132 0.000 0.741 40 E HN 0.419 nan 8.360 nan 0.000 0.458 41 A N -0.118 122.863 122.820 0.267 0.000 1.902 41 A HA -0.164 4.163 4.320 0.012 0.000 0.217 41 A C 1.760 179.552 177.584 0.347 0.000 1.181 41 A CA 1.284 53.490 52.037 0.282 0.000 0.623 41 A CB -0.933 18.236 19.000 0.282 0.000 0.818 41 A HN 0.365 nan 8.150 nan 0.000 0.443 42 W N -0.408 121.012 121.300 0.201 0.000 2.436 42 W HA 0.149 4.817 4.660 0.014 0.000 0.284 42 W C 2.559 179.022 176.519 -0.093 0.000 1.225 42 W CA 0.994 58.386 57.345 0.079 0.000 1.271 42 W CB -0.227 29.258 29.460 0.041 0.000 1.114 42 W HN 0.349 nan 8.180 nan 0.000 0.559 43 A N 0.418 123.339 122.820 0.168 0.000 2.209 43 A HA -0.055 4.273 4.320 0.012 0.000 0.212 43 A C 1.979 179.558 177.584 -0.009 0.000 1.158 43 A CA 1.481 53.542 52.037 0.039 0.000 0.742 43 A CB -1.185 17.830 19.000 0.024 0.000 0.790 43 A HN 0.252 nan 8.150 nan 0.000 0.472 44 V N -2.097 117.834 119.914 0.028 0.000 2.688 44 V HA -0.195 3.932 4.120 0.012 0.000 0.256 44 V C 1.912 177.915 176.094 -0.151 0.000 1.084 44 V CA 1.978 64.289 62.300 0.020 0.000 1.103 44 V CB -0.927 30.995 31.823 0.165 0.000 0.688 44 V HN 0.459 nan 8.190 nan 0.000 0.480 45 L N -0.324 120.734 121.223 -0.275 0.000 2.551 45 L HA 0.001 4.349 4.340 0.012 0.000 0.228 45 L C 2.471 179.144 176.870 -0.329 0.000 1.153 45 L CA 1.184 55.743 54.840 -0.470 0.000 0.851 45 L CB -0.442 41.310 42.059 -0.511 0.000 0.959 45 L HN 0.423 nan 8.230 nan 0.000 0.451 46 Q N -0.738 118.940 119.800 -0.203 0.000 2.194 46 Q HA 0.134 4.481 4.340 0.012 0.000 0.214 46 Q C -0.086 175.842 176.000 -0.120 0.000 0.838 46 Q CA -0.184 55.529 55.803 -0.149 0.000 0.972 46 Q CB 0.694 29.367 28.738 -0.108 0.000 1.131 46 Q HN 0.453 nan 8.270 nan 0.000 0.498 47 E N 0.635 120.760 120.200 -0.125 0.000 2.404 47 E HA -0.024 4.334 4.350 0.012 0.000 0.261 47 E C 0.879 177.430 176.600 -0.083 0.000 1.074 47 E CA 0.260 56.612 56.400 -0.079 0.000 0.917 47 E CB 0.856 30.529 29.700 -0.045 0.000 0.965 47 E HN 0.181 nan 8.360 nan 0.000 0.433 48 S N 2.040 117.710 115.700 -0.050 0.000 2.419 48 S HA -0.193 4.284 4.470 0.012 0.000 0.233 48 S C 1.262 175.841 174.600 -0.035 0.000 1.016 48 S CA 1.247 59.421 58.200 -0.043 0.000 0.974 48 S CB -0.212 62.971 63.200 -0.027 0.000 0.786 48 S HN 0.669 nan 8.310 nan 0.000 0.492 49 N N 1.365 120.051 118.700 -0.023 0.000 2.461 49 N HA 0.009 4.756 4.740 0.012 0.000 0.188 49 N C -0.284 175.215 175.510 -0.018 0.000 1.134 49 N CA 0.086 53.137 53.050 0.003 0.000 0.878 49 N CB -0.069 38.443 38.487 0.041 0.000 0.972 49 N HN 0.364 nan 8.380 nan 0.000 0.456 50 V N 2.119 121.974 119.914 -0.099 0.000 2.384 50 V HA 0.370 4.498 4.120 0.012 0.000 0.287 50 V C -2.084 173.931 176.094 -0.132 0.000 1.020 50 V CA -1.662 60.522 62.300 -0.193 0.000 0.850 50 V CB 1.362 32.910 31.823 -0.458 0.000 0.987 50 V HN 0.010 nan 8.190 nan 0.000 0.436 51 P HA 0.124 nan 4.420 nan 0.000 0.270 51 P C 0.341 177.595 177.300 -0.077 0.000 1.227 51 P CA -0.171 62.906 63.100 -0.038 0.000 0.788 51 P CB 0.677 32.394 31.700 0.028 0.000 0.926 52 D N -0.435 119.917 120.400 -0.080 0.000 2.218 52 D HA -0.041 4.606 4.640 0.012 0.000 0.204 52 D C 0.380 176.627 176.300 -0.089 0.000 0.976 52 D CA 1.417 55.347 54.000 -0.117 0.000 0.853 52 D CB -0.127 40.570 40.800 -0.172 0.000 0.939 52 D HN 0.063 nan 8.370 nan 0.000 0.481 53 L N 0.530 121.734 121.223 -0.030 0.000 2.439 53 L HA 0.361 4.708 4.340 0.012 0.000 0.270 53 L C -0.834 176.152 176.870 0.194 0.000 0.972 53 L CA -1.000 53.879 54.840 0.065 0.000 0.836 53 L CB 1.856 43.919 42.059 0.007 0.000 1.255 53 L HN -0.150 nan 8.230 nan 0.000 0.404 54 V N 1.598 121.677 119.914 0.275 0.000 3.126 54 V HA 0.687 4.815 4.120 0.012 0.000 0.314 54 V C -1.346 175.007 176.094 0.432 0.000 1.138 54 V CA -0.773 61.709 62.300 0.304 0.000 1.034 54 V CB 2.131 34.034 31.823 0.133 0.000 1.075 54 V HN 0.930 nan 8.190 nan 0.000 0.442 55 W N 1.927 123.232 121.300 0.007 0.000 2.532 55 W HA 0.650 5.317 4.660 0.012 0.000 0.321 55 W C -0.866 175.519 176.519 -0.224 0.000 1.037 55 W CA -0.216 56.936 57.345 -0.321 0.000 1.220 55 W CB 1.966 31.032 29.460 -0.656 0.000 1.361 55 W HN 0.879 nan 8.180 nan 0.000 0.468 56 T N 4.993 119.066 114.554 -0.802 0.000 2.859 56 T HA 0.366 4.723 4.350 0.012 0.000 0.281 56 T C 0.980 175.198 174.700 -0.804 0.000 1.005 56 T CA -0.414 61.331 62.100 -0.592 0.000 1.025 56 T CB 1.195 69.785 68.868 -0.463 0.000 0.977 56 T HN 0.630 nan 8.240 nan 0.000 0.458 57 R N 1.803 122.128 120.500 -0.292 0.000 2.297 57 R HA 0.189 4.536 4.340 0.012 0.000 0.197 57 R C 0.610 176.828 176.300 -0.137 0.000 0.943 57 R CA -0.154 55.874 56.100 -0.120 0.000 1.038 57 R CB -0.283 30.039 30.300 0.037 0.000 0.957 57 R HN 0.559 nan 8.270 nan 0.000 0.484 58 C N 1.482 120.673 119.300 -0.182 0.000 2.689 58 C HA 0.084 4.551 4.460 0.012 0.000 0.409 58 C C 0.836 175.814 174.990 -0.020 0.000 1.293 58 C CA -0.339 58.623 59.018 -0.094 0.000 2.136 58 C CB -0.205 27.476 27.740 -0.099 0.000 2.719 58 C HN 0.699 nan 8.230 nan 0.000 0.644 59 N N 0.534 119.257 118.700 0.038 0.000 2.735 59 N HA -0.140 4.607 4.740 0.012 0.000 0.248 59 N C 0.676 176.243 175.510 0.095 0.000 1.083 59 N CA 0.851 53.961 53.050 0.100 0.000 0.703 59 N CB -1.214 37.398 38.487 0.208 0.000 1.005 59 N HN 1.378 nan 8.380 nan 0.000 0.550 60 G N -1.761 107.070 108.800 0.050 0.000 2.254 60 G HA2 0.133 4.100 3.960 0.012 0.000 0.225 60 G HA3 0.133 4.100 3.960 0.012 0.000 0.225 60 G C 0.532 175.462 174.900 0.050 0.000 1.003 60 G CA 0.309 45.444 45.100 0.057 0.000 0.622 60 G HN 1.603 nan 8.290 nan 0.000 0.507 61 G N -0.528 108.235 108.800 -0.061 0.000 3.322 61 G HA2 0.568 4.536 3.960 0.012 0.000 0.686 61 G HA3 0.568 4.536 3.960 0.012 0.000 0.686 61 G C -0.540 173.924 174.900 -0.726 0.000 1.015 61 G CA 0.627 45.513 45.100 -0.356 0.000 0.826 61 G HN 2.793 nan 8.290 nan 0.000 0.538 62 H N -1.541 116.577 119.070 -1.586 0.000 3.037 62 H HA 0.650 5.213 4.556 0.012 0.000 0.336 62 H C -0.472 174.149 175.328 -1.179 0.000 1.323 62 H CA -1.641 53.685 56.048 -1.204 0.000 1.159 62 H CB 0.177 29.703 29.762 -0.394 0.000 1.882 62 H HN 0.654 nan 8.280 nan 0.000 0.535 63 W N 1.169 122.350 121.300 -0.197 0.000 2.150 63 W HA 0.517 5.185 4.660 0.013 0.000 0.341 63 W C -0.207 176.376 176.519 0.106 0.000 1.276 63 W CA -0.388 57.000 57.345 0.071 0.000 1.238 63 W CB 0.595 30.213 29.460 0.264 0.000 1.128 63 W HN 0.428 nan 8.180 nan 0.000 0.581 64 I N 2.538 123.314 120.570 0.344 0.000 2.478 64 I HA 0.394 4.571 4.170 0.012 0.000 0.287 64 I C -0.205 176.008 176.117 0.160 0.000 1.042 64 I CA -1.169 60.262 61.300 0.219 0.000 1.067 64 I CB 1.414 39.470 38.000 0.095 0.000 1.233 64 I HN 0.439 nan 8.210 nan 0.000 0.431 65 A N 3.250 126.130 122.820 0.100 0.000 2.328 65 A HA 0.517 4.845 4.320 0.012 0.000 0.284 65 A C 0.906 178.479 177.584 -0.018 0.000 1.160 65 A CA -0.130 51.925 52.037 0.029 0.000 0.818 65 A CB 0.313 19.310 19.000 -0.005 0.000 1.087 65 A HN 0.862 nan 8.150 nan 0.000 0.504 66 T N -0.309 114.207 114.554 -0.064 0.000 3.040 66 T HA 0.245 4.603 4.350 0.012 0.000 0.250 66 T C 0.611 175.252 174.700 -0.098 0.000 1.058 66 T CA -0.053 61.987 62.100 -0.100 0.000 0.988 66 T CB 0.078 68.850 68.868 -0.159 0.000 0.993 66 T HN 0.524 nan 8.240 nan 0.000 0.519 67 R N 0.219 120.658 120.500 -0.101 0.000 2.740 67 R HA 0.595 4.943 4.340 0.012 0.000 0.282 67 R C 1.479 177.721 176.300 -0.096 0.000 0.969 67 R CA -0.309 55.727 56.100 -0.106 0.000 0.918 67 R CB 1.178 31.401 30.300 -0.129 0.000 1.175 67 R HN 0.209 nan 8.270 nan 0.000 0.464 68 G N 0.954 109.702 108.800 -0.086 0.000 2.469 68 G HA2 -0.328 3.640 3.960 0.012 0.000 0.219 68 G HA3 -0.328 3.640 3.960 0.012 0.000 0.219 68 G C 1.062 175.909 174.900 -0.089 0.000 1.150 68 G CA 0.755 45.807 45.100 -0.080 0.000 0.763 68 G HN 0.640 nan 8.290 nan 0.000 0.561 69 Q N -0.612 119.128 119.800 -0.099 0.000 2.061 69 Q HA -0.123 4.225 4.340 0.012 0.000 0.204 69 Q C 2.499 178.441 176.000 -0.096 0.000 0.984 69 Q CA 1.302 57.048 55.803 -0.095 0.000 0.846 69 Q CB -0.173 28.498 28.738 -0.112 0.000 0.902 69 Q HN 0.405 nan 8.270 nan 0.000 0.421 70 L N 0.267 121.391 121.223 -0.165 0.000 2.109 70 L HA -0.100 4.247 4.340 0.012 0.000 0.207 70 L C 2.187 179.057 176.870 -0.000 0.000 1.086 70 L CA 1.166 55.935 54.840 -0.120 0.000 0.760 70 L CB -0.392 41.527 42.059 -0.234 0.000 0.910 70 L HN 0.281 nan 8.230 nan 0.000 0.437 71 I N -0.930 119.606 120.570 -0.056 0.000 2.179 71 I HA -0.325 3.852 4.170 0.012 0.000 0.242 71 I C 2.619 178.745 176.117 0.016 0.000 1.088 71 I CA 1.228 62.487 61.300 -0.068 0.000 1.357 71 I CB -0.272 37.729 38.000 0.002 0.000 1.051 71 I HN 0.195 nan 8.210 nan 0.000 0.409 72 R N 0.613 121.124 120.500 0.019 0.000 2.073 72 R HA -0.170 4.177 4.340 0.012 0.000 0.234 72 R C 2.245 178.678 176.300 0.222 0.000 1.134 72 R CA 1.540 57.654 56.100 0.023 0.000 0.952 72 R CB -0.350 29.792 30.300 -0.263 0.000 0.850 72 R HN 0.418 nan 8.270 nan 0.000 0.433 73 E N 0.327 120.630 120.200 0.171 0.000 2.085 73 E HA -0.194 4.163 4.350 0.012 0.000 0.194 73 E C 2.037 178.757 176.600 0.200 0.000 0.994 73 E CA 1.215 57.778 56.400 0.272 0.000 0.801 73 E CB -0.099 29.842 29.700 0.403 0.000 0.743 73 E HN 0.386 nan 8.360 nan 0.000 0.453 74 A N 0.448 123.220 122.820 -0.080 0.000 1.930 74 A HA -0.166 4.161 4.320 0.012 0.000 0.217 74 A C 1.764 179.178 177.584 -0.283 0.000 1.175 74 A CA 1.086 52.709 52.037 -0.690 0.000 0.627 74 A CB -0.627 17.493 19.000 -1.467 0.000 0.815 74 A HN 0.239 nan 8.150 nan 0.000 0.443 75 Y N 0.505 120.814 120.300 0.016 0.000 2.352 75 Y HA -0.105 4.452 4.550 0.012 0.000 0.292 75 Y C 2.350 178.374 175.900 0.207 0.000 1.136 75 Y CA 1.302 59.487 58.100 0.142 0.000 1.227 75 Y CB -0.350 38.227 38.460 0.196 0.000 0.991 75 Y HN 0.479 nan 8.280 nan 0.000 0.545 76 E N -0.716 119.709 120.200 0.375 0.000 2.107 76 E HA -0.153 4.204 4.350 0.012 0.000 0.191 76 E C 0.476 177.259 176.600 0.306 0.000 0.982 76 E CA 0.976 57.556 56.400 0.299 0.000 0.809 76 E CB -0.010 29.860 29.700 0.283 0.000 0.756 76 E HN 0.148 nan 8.360 nan 0.000 0.459 77 D N 0.238 120.813 120.400 0.291 0.000 2.631 77 D HA -0.026 4.621 4.640 0.012 0.000 0.227 77 D C 0.496 176.895 176.300 0.165 0.000 1.146 77 D CA -0.339 53.781 54.000 0.199 0.000 1.009 77 D CB -0.198 40.796 40.800 0.324 0.000 1.057 77 D HN 0.207 nan 8.370 nan 0.000 0.509 78 Y N 0.705 121.087 120.300 0.138 0.000 2.421 78 Y HA 0.062 4.619 4.550 0.012 0.000 0.292 78 Y C 1.817 177.723 175.900 0.009 0.000 1.136 78 Y CA 0.545 58.719 58.100 0.122 0.000 1.255 78 Y CB -0.296 38.235 38.460 0.118 0.000 0.991 78 Y HN 0.040 nan 8.280 nan 0.000 0.552 79 R N -0.373 119.637 120.500 -0.816 0.000 2.115 79 R HA -0.081 4.266 4.340 0.012 0.000 0.230 79 R C 1.424 177.390 176.300 -0.557 0.000 1.111 79 R CA 1.836 57.529 56.100 -0.677 0.000 0.976 79 R CB -0.356 29.455 30.300 -0.815 0.000 0.870 79 R HN 0.599 nan 8.270 nan 0.000 0.445 80 H N -2.154 116.623 119.070 -0.487 0.000 2.516 80 H HA 0.105 4.668 4.556 0.012 0.000 0.284 80 H C -0.261 174.642 175.328 -0.709 0.000 0.999 80 H CA 0.176 55.784 56.048 -0.734 0.000 1.303 80 H CB 0.490 29.479 29.762 -1.287 0.000 1.452 80 H HN -0.049 nan 8.280 nan 0.000 0.530 81 F N 1.168 121.101 119.950 -0.027 0.000 2.307 81 F HA 0.292 4.827 4.527 0.013 0.000 0.369 81 F C 0.188 176.013 175.800 0.042 0.000 1.076 81 F CA -0.683 57.308 58.000 -0.016 0.000 1.149 81 F CB 1.259 40.212 39.000 -0.078 0.000 1.410 81 F HN -0.105 nan 8.300 nan 0.000 0.481 82 S N 0.942 116.736 115.700 0.155 0.000 2.562 82 S HA 0.253 4.730 4.470 0.012 0.000 0.275 82 S C 1.098 175.757 174.600 0.099 0.000 1.281 82 S CA -0.503 57.777 58.200 0.133 0.000 1.045 82 S CB 1.077 64.323 63.200 0.078 0.000 0.962 82 S HN 0.519 nan 8.310 nan 0.000 0.503 83 S N 2.898 118.643 115.700 0.075 0.000 2.603 83 S HA 0.010 4.487 4.470 0.012 0.000 0.220 83 S C 1.603 176.164 174.600 -0.066 0.000 0.967 83 S CA 0.067 58.234 58.200 -0.055 0.000 0.920 83 S CB -0.229 62.861 63.200 -0.184 0.000 0.773 83 S HN 0.856 nan 8.310 nan 0.000 0.529 84 E N 0.400 120.600 120.200 -0.001 0.000 2.114 84 E HA -0.226 4.131 4.350 0.012 0.000 0.199 84 E C 0.324 176.898 176.600 -0.043 0.000 1.008 84 E CA 0.880 57.279 56.400 -0.001 0.000 0.810 84 E CB 0.036 29.751 29.700 0.025 0.000 0.739 84 E HN 0.425 nan 8.360 nan 0.000 0.456 85 C N 1.916 121.180 119.300 -0.060 0.000 2.492 85 C HA 0.398 4.866 4.460 0.012 0.000 0.284 85 C C -1.889 172.987 174.990 -0.190 0.000 1.082 85 C CA -1.671 57.285 59.018 -0.103 0.000 1.555 85 C CB 0.767 28.492 27.740 -0.026 0.000 1.798 85 C HN 0.280 nan 8.230 nan 0.000 0.413 86 P HA 0.171 nan 4.420 nan 0.000 0.255 86 P C -0.307 176.662 177.300 -0.552 0.000 1.248 86 P CA 0.422 63.176 63.100 -0.577 0.000 0.807 86 P CB 0.096 31.252 31.700 -0.907 0.000 1.150 87 F N -0.346 119.548 119.950 -0.092 0.000 2.565 87 F HA 0.422 4.956 4.527 0.012 0.000 0.313 87 F C 0.401 176.160 175.800 -0.068 0.000 1.091 87 F CA -1.841 56.105 58.000 -0.090 0.000 0.915 87 F CB 0.868 39.779 39.000 -0.148 0.000 1.208 87 F HN -0.389 nan 8.300 nan 0.000 0.453 88 I N 4.674 125.323 120.570 0.131 0.000 2.353 88 I HA 0.433 4.611 4.170 0.012 0.000 0.293 88 I C -2.158 174.069 176.117 0.183 0.000 0.992 88 I CA -1.860 59.457 61.300 0.027 0.000 1.268 88 I CB 0.954 38.795 38.000 -0.265 0.000 1.387 88 I HN 0.346 nan 8.210 nan 0.000 0.478 89 P HA 0.363 nan 4.420 nan 0.000 0.281 89 P C -0.244 177.083 177.300 0.044 0.000 1.264 89 P CA -0.940 62.195 63.100 0.059 0.000 0.824 89 P CB 0.676 32.399 31.700 0.038 0.000 1.092 96 Y N 2.884 123.212 120.300 0.046 0.000 2.486 96 Y HA 0.448 5.005 4.550 0.012 0.000 0.348 96 Y C 0.391 176.292 175.900 0.003 0.000 1.000 96 Y CA 0.319 58.436 58.100 0.029 0.000 1.253 96 Y CB 0.758 39.205 38.460 -0.023 0.000 1.140 96 Y HN 0.363 nan 8.280 nan 0.000 0.526 97 D N 3.726 123.865 120.400 -0.435 0.000 2.594 97 D HA 0.042 4.690 4.640 0.012 0.000 0.256 97 D C -0.651 175.555 176.300 -0.156 0.000 1.393 97 D CA -0.316 53.580 54.000 -0.174 0.000 0.797 97 D CB -0.820 39.961 40.800 -0.032 0.000 1.110 97 D HN 0.150 nan 8.370 nan 0.000 0.495 98 F N 1.220 120.927 119.950 -0.406 0.000 2.545 98 F HA 0.305 4.840 4.527 0.013 0.000 0.348 98 F C 1.167 176.924 175.800 -0.073 0.000 1.163 98 F CA -0.727 57.147 58.000 -0.209 0.000 1.331 98 F CB 0.393 39.242 39.000 -0.252 0.000 1.138 98 F HN -0.113 nan 8.300 nan 0.000 0.602 99 I N 4.582 125.236 120.570 0.140 0.000 2.433 99 I HA 0.254 4.431 4.170 0.012 0.000 0.292 99 I C -1.911 174.219 176.117 0.023 0.000 1.001 99 I CA -1.714 59.572 61.300 -0.024 0.000 1.119 99 I CB 2.646 40.473 38.000 -0.289 0.000 1.289 99 I HN 0.337 nan 8.210 nan 0.000 0.438 100 P HA 0.165 nan 4.420 nan 0.000 0.262 100 P C 0.819 178.268 177.300 0.247 0.000 1.651 100 P CA -0.122 63.037 63.100 0.098 0.000 1.119 100 P CB 0.287 32.058 31.700 0.118 0.000 1.552 101 T N -0.537 114.170 114.554 0.255 0.000 2.685 101 T HA -0.125 4.232 4.350 0.012 0.000 0.268 101 T C 1.478 176.216 174.700 0.063 0.000 1.034 101 T CA 1.972 64.205 62.100 0.223 0.000 1.149 101 T CB -0.507 68.602 68.868 0.401 0.000 0.860 101 T HN 0.185 nan 8.240 nan 0.000 0.449 102 S N 0.240 116.018 115.700 0.129 0.000 2.572 102 S HA 0.391 4.868 4.470 0.012 0.000 0.228 102 S C 0.522 175.182 174.600 0.100 0.000 0.963 102 S CA -0.213 58.019 58.200 0.054 0.000 0.939 102 S CB 0.017 63.264 63.200 0.079 0.000 0.804 102 S HN 0.392 nan 8.310 nan 0.000 0.480 106 P HA -0.143 nan 4.420 nan 0.000 0.216 106 P C 1.212 178.485 177.300 -0.045 0.000 1.150 106 P CA 1.387 64.462 63.100 -0.042 0.000 0.837 106 P CB 0.327 32.011 31.700 -0.026 0.000 0.786 107 E N -0.039 120.163 120.200 0.003 0.000 2.028 107 E HA -0.173 4.184 4.350 0.012 0.000 0.190 107 E C 2.303 178.989 176.600 0.143 0.000 0.984 107 E CA 0.727 57.158 56.400 0.052 0.000 0.800 107 E CB -0.433 29.382 29.700 0.192 0.000 0.758 107 E HN 0.302 nan 8.360 nan 0.000 0.448 108 Q N 1.080 120.957 119.800 0.129 0.000 2.077 108 Q HA -0.219 4.128 4.340 0.012 0.000 0.206 108 Q C 2.178 178.196 176.000 0.029 0.000 0.989 108 Q CA 1.504 57.368 55.803 0.102 0.000 0.853 108 Q CB -0.034 28.671 28.738 -0.054 0.000 0.907 108 Q HN 0.171 nan 8.270 nan 0.000 0.418 109 R N -0.268 120.202 120.500 -0.050 0.000 2.096 109 R HA -0.157 4.191 4.340 0.012 0.000 0.235 109 R C 2.436 178.692 176.300 -0.074 0.000 1.127 109 R CA 1.658 57.712 56.100 -0.075 0.000 0.968 109 R CB -0.099 30.147 30.300 -0.091 0.000 0.861 109 R HN 0.425 nan 8.270 nan 0.000 0.440 110 Q N -0.622 119.103 119.800 -0.126 0.000 2.083 110 Q HA -0.110 4.238 4.340 0.012 0.000 0.198 110 Q C 1.833 177.694 176.000 -0.232 0.000 0.969 110 Q CA 1.325 56.991 55.803 -0.229 0.000 0.838 110 Q CB -0.041 28.471 28.738 -0.378 0.000 0.900 110 Q HN 0.258 nan 8.270 nan 0.000 0.436 111 F N 0.677 120.614 119.950 -0.023 0.000 2.134 111 F HA -0.125 4.409 4.527 0.012 0.000 0.299 111 F C 2.348 178.140 175.800 -0.015 0.000 1.097 111 F CA 1.108 59.101 58.000 -0.011 0.000 1.264 111 F CB -0.224 38.779 39.000 0.004 0.000 1.001 111 F HN -0.047 nan 8.300 nan 0.000 0.479 112 R N -0.032 120.546 120.500 0.129 0.000 2.096 112 R HA -0.113 4.235 4.340 0.012 0.000 0.235 112 R C 2.425 178.739 176.300 0.024 0.000 1.127 112 R CA 1.153 57.285 56.100 0.054 0.000 0.968 112 R CB -0.740 29.555 30.300 -0.007 0.000 0.861 112 R HN 0.288 nan 8.270 nan 0.000 0.440 113 A N 1.113 123.930 122.820 -0.004 0.000 1.933 113 A HA -0.152 4.175 4.320 0.012 0.000 0.218 113 A C 2.042 179.622 177.584 -0.006 0.000 1.175 113 A CA 1.015 53.041 52.037 -0.019 0.000 0.628 113 A CB -0.386 18.587 19.000 -0.045 0.000 0.814 113 A HN 0.232 nan 8.150 nan 0.000 0.444 114 L N -0.235 120.990 121.223 0.002 0.000 2.027 114 L HA 0.020 4.368 4.340 0.012 0.000 0.206 114 L C 2.648 179.541 176.870 0.039 0.000 1.074 114 L CA 2.203 57.053 54.840 0.017 0.000 0.745 114 L CB -0.936 41.141 42.059 0.031 0.000 0.898 114 L HN 0.317 nan 8.230 nan 0.000 0.433 115 A N -0.427 122.432 122.820 0.064 0.000 1.940 115 A HA -0.277 4.050 4.320 0.012 0.000 0.219 115 A C 2.182 179.788 177.584 0.037 0.000 1.176 115 A CA 1.918 53.990 52.037 0.059 0.000 0.631 115 A CB -1.014 18.030 19.000 0.072 0.000 0.814 115 A HN 0.607 nan 8.150 nan 0.000 0.446 116 N N -0.114 118.603 118.700 0.028 0.000 2.289 116 N HA -0.149 4.598 4.740 0.012 0.000 0.184 116 N C 1.803 177.321 175.510 0.013 0.000 1.016 116 N CA 1.500 54.564 53.050 0.023 0.000 0.872 116 N CB -0.330 38.167 38.487 0.017 0.000 0.973 116 N HN 0.660 nan 8.380 nan 0.000 0.433 117 Q N -0.734 119.070 119.800 0.006 0.000 2.226 117 Q HA -0.072 4.275 4.340 0.012 0.000 0.204 117 Q C 1.780 177.778 176.000 -0.004 0.000 0.975 117 Q CA 1.418 57.219 55.803 -0.003 0.000 0.866 117 Q CB 0.159 28.893 28.738 -0.007 0.000 0.915 117 Q HN 0.469 nan 8.270 nan 0.000 0.440 118 V N -3.228 116.689 119.914 0.004 0.000 3.431 118 V HA 0.093 4.220 4.120 0.012 0.000 0.253 118 V C 1.434 177.527 176.094 -0.001 0.000 1.184 118 V CA 0.472 62.770 62.300 -0.003 0.000 1.104 118 V CB 0.675 32.496 31.823 -0.002 0.000 0.799 118 V HN 0.199 nan 8.190 nan 0.000 0.462 119 V N -2.038 117.886 119.914 0.016 0.000 3.330 119 V HA 0.695 4.823 4.120 0.012 0.000 0.309 119 V C 1.128 177.251 176.094 0.049 0.000 1.481 119 V CA 0.162 62.477 62.300 0.025 0.000 1.068 119 V CB -0.671 31.169 31.823 0.030 0.000 0.935 119 V HN 0.442 nan 8.190 nan 0.000 0.453 120 G N -0.096 108.730 108.800 0.043 0.000 2.684 120 G HA2 0.280 4.247 3.960 0.012 0.000 0.255 120 G HA3 0.280 4.247 3.960 0.012 0.000 0.255 120 G C 0.551 175.446 174.900 -0.008 0.000 1.219 120 G CA 0.264 45.397 45.100 0.055 0.000 0.901 120 G HN 0.195 nan 8.290 nan 0.000 0.548 121 M N 1.035 120.551 119.600 -0.140 0.000 2.108 121 M HA -0.068 4.420 4.480 0.012 0.000 0.257 121 M C -0.254 175.986 176.300 -0.100 0.000 1.071 121 M CA 2.030 57.205 55.300 -0.209 0.000 1.093 121 M CB -0.900 31.475 32.600 -0.374 0.000 1.345 121 M HN 0.353 nan 8.290 nan 0.000 0.403 122 P HA -0.091 nan 4.420 nan 0.000 0.218 122 P C 1.713 178.993 177.300 -0.034 0.000 1.149 122 P CA 1.141 64.211 63.100 -0.051 0.000 0.817 122 P CB -0.109 31.565 31.700 -0.044 0.000 0.785 123 V N -0.514 119.384 119.914 -0.028 0.000 2.307 123 V HA -0.175 3.953 4.120 0.012 0.000 0.245 123 V C 2.450 178.535 176.094 -0.015 0.000 1.045 123 V CA 1.634 63.922 62.300 -0.021 0.000 1.024 123 V CB -1.153 30.659 31.823 -0.018 0.000 0.651 123 V HN -0.045 nan 8.190 nan 0.000 0.449 124 V N 0.291 120.200 119.914 -0.007 0.000 2.343 124 V HA -0.253 3.874 4.120 0.012 0.000 0.247 124 V C 2.275 178.371 176.094 0.005 0.000 1.051 124 V CA 2.128 64.432 62.300 0.007 0.000 1.036 124 V CB -0.733 31.107 31.823 0.029 0.000 0.654 124 V HN 0.554 nan 8.190 nan 0.000 0.451 125 D N 0.082 120.477 120.400 -0.009 0.000 2.144 125 D HA -0.150 4.497 4.640 0.012 0.000 0.199 125 D C 2.244 178.543 176.300 -0.002 0.000 0.984 125 D CA 1.174 55.170 54.000 -0.006 0.000 0.834 125 D CB -0.201 40.588 40.800 -0.019 0.000 0.955 125 D HN 0.421 nan 8.370 nan 0.000 0.465 126 K N 0.058 120.453 120.400 -0.008 0.000 2.097 126 K HA 0.001 4.329 4.320 0.012 0.000 0.206 126 K C 2.051 178.649 176.600 -0.003 0.000 1.049 126 K CA 0.545 56.828 56.287 -0.007 0.000 0.933 126 K CB 0.029 32.520 32.500 -0.014 0.000 0.717 126 K HN 0.161 nan 8.250 nan 0.000 0.442 127 L N 0.482 121.704 121.223 -0.002 0.000 2.509 127 L HA -0.022 4.325 4.340 0.012 0.000 0.222 127 L C 2.332 179.213 176.870 0.020 0.000 1.123 127 L CA 0.327 55.167 54.840 0.000 0.000 0.856 127 L CB -0.196 41.856 42.059 -0.011 0.000 0.985 127 L HN 0.275 nan 8.230 nan 0.000 0.456 128 E N 1.312 121.529 120.200 0.029 0.000 2.058 128 E HA -0.314 4.043 4.350 0.012 0.000 0.194 128 E C 1.808 178.445 176.600 0.062 0.000 0.997 128 E CA 1.990 58.420 56.400 0.051 0.000 0.801 128 E CB 0.044 29.773 29.700 0.048 0.000 0.746 128 E HN 0.426 nan 8.360 nan 0.000 0.450 129 N N -0.261 118.467 118.700 0.046 0.000 2.244 129 N HA -0.122 4.625 4.740 0.012 0.000 0.183 129 N C 1.830 177.373 175.510 0.054 0.000 1.016 129 N CA 0.892 53.971 53.050 0.049 0.000 0.866 129 N CB 0.050 38.557 38.487 0.034 0.000 0.980 129 N HN 0.001 nan 8.380 nan 0.000 0.430 130 R N 0.121 120.647 120.500 0.043 0.000 2.096 130 R HA 0.099 4.446 4.340 0.012 0.000 0.235 130 R C 1.898 178.241 176.300 0.071 0.000 1.127 130 R CA 0.961 57.086 56.100 0.042 0.000 0.968 130 R CB -0.376 29.934 30.300 0.017 0.000 0.861 130 R HN 0.346 nan 8.270 nan 0.000 0.440 131 I N 0.112 120.733 120.570 0.085 0.000 2.252 131 I HA -0.286 3.892 4.170 0.012 0.000 0.245 131 I C 2.574 178.842 176.117 0.252 0.000 1.102 131 I CA 1.140 62.532 61.300 0.154 0.000 1.385 131 I CB -0.341 37.742 38.000 0.139 0.000 1.064 131 I HN 0.252 nan 8.210 nan 0.000 0.414 132 Q N 1.341 121.247 119.800 0.176 0.000 2.084 132 Q HA -0.246 4.101 4.340 0.012 0.000 0.202 132 Q C 1.962 178.043 176.000 0.134 0.000 0.978 132 Q CA 1.836 57.732 55.803 0.155 0.000 0.844 132 Q CB -0.053 28.747 28.738 0.103 0.000 0.898 132 Q HN 0.564 nan 8.270 nan 0.000 0.426 133 E N 0.260 120.525 120.200 0.107 0.000 2.077 133 E HA -0.199 4.159 4.350 0.012 0.000 0.193 133 E C 2.073 178.737 176.600 0.106 0.000 0.989 133 E CA 1.126 57.577 56.400 0.085 0.000 0.800 133 E CB -0.158 29.579 29.700 0.061 0.000 0.746 133 E HN 0.199 nan 8.360 nan 0.000 0.452 134 L N 0.984 122.296 121.223 0.148 0.000 2.017 134 L HA -0.128 4.220 4.340 0.012 0.000 0.208 134 L C 2.212 179.216 176.870 0.223 0.000 1.073 134 L CA 2.131 57.082 54.840 0.185 0.000 0.745 134 L CB -0.696 41.489 42.059 0.209 0.000 0.894 134 L HN 0.040 nan 8.230 nan 0.000 0.432 135 A N -1.178 121.814 122.820 0.286 0.000 1.908 135 A HA -0.253 4.074 4.320 0.012 0.000 0.218 135 A C 2.413 180.087 177.584 0.150 0.000 1.181 135 A CA 1.929 54.065 52.037 0.165 0.000 0.627 135 A CB -1.556 17.512 19.000 0.114 0.000 0.818 135 A HN 0.653 nan 8.150 nan 0.000 0.445 136 C N -0.016 119.346 119.300 0.104 0.000 2.432 136 C HA -0.108 4.359 4.460 0.012 0.000 0.277 136 C C 3.454 178.469 174.990 0.042 0.000 1.249 136 C CA 1.554 60.602 59.018 0.049 0.000 1.725 136 C CB -1.219 26.544 27.740 0.037 0.000 2.028 136 C HN 0.808 nan 8.230 nan 0.000 0.477 137 S N 0.959 116.695 115.700 0.059 0.000 2.382 137 S HA -0.106 4.371 4.470 0.012 0.000 0.228 137 S C 1.698 176.330 174.600 0.053 0.000 1.027 137 S CA 1.379 59.607 58.200 0.046 0.000 0.991 137 S CB -0.758 62.470 63.200 0.047 0.000 0.823 137 S HN 0.623 nan 8.310 nan 0.000 0.469 138 L N 0.641 121.911 121.223 0.079 0.000 2.017 138 L HA -0.005 4.342 4.340 0.012 0.000 0.208 138 L C 2.642 179.591 176.870 0.133 0.000 1.073 138 L CA 1.330 56.229 54.840 0.098 0.000 0.745 138 L CB -0.557 41.529 42.059 0.044 0.000 0.894 138 L HN 0.292 nan 8.230 nan 0.000 0.432 139 I N -0.371 120.266 120.570 0.111 0.000 2.252 139 I HA -0.255 3.923 4.170 0.012 0.000 0.245 139 I C 2.598 178.638 176.117 -0.127 0.000 1.102 139 I CA 1.004 62.254 61.300 -0.083 0.000 1.385 139 I CB -0.145 37.716 38.000 -0.232 0.000 1.064 139 I HN 0.234 nan 8.210 nan 0.000 0.414 140 E N 1.049 121.210 120.200 -0.066 0.000 2.153 140 E HA -0.215 4.143 4.350 0.012 0.000 0.194 140 E C 2.213 178.809 176.600 -0.007 0.000 0.988 140 E CA 1.746 58.116 56.400 -0.050 0.000 0.811 140 E CB -0.202 29.482 29.700 -0.027 0.000 0.746 140 E HN 0.489 nan 8.360 nan 0.000 0.466 141 S N -0.654 115.058 115.700 0.020 0.000 2.423 141 S HA -0.082 4.396 4.470 0.012 0.000 0.231 141 S C 1.914 176.556 174.600 0.070 0.000 1.014 141 S CA 1.039 59.264 58.200 0.042 0.000 0.965 141 S CB -0.324 62.904 63.200 0.047 0.000 0.785 141 S HN 0.348 nan 8.310 nan 0.000 0.495 142 L N 0.300 121.577 121.223 0.089 0.000 2.298 142 L HA 0.281 4.628 4.340 0.012 0.000 0.209 142 L C 2.893 179.939 176.870 0.293 0.000 1.084 142 L CA 0.382 55.337 54.840 0.191 0.000 0.816 142 L CB -0.521 41.697 42.059 0.265 0.000 0.967 142 L HN 0.242 nan 8.230 nan 0.000 0.460 143 R N 1.265 121.847 120.500 0.136 0.000 2.136 143 R HA -0.214 4.133 4.340 0.012 0.000 0.242 143 R C -0.617 175.892 176.300 0.349 0.000 1.131 143 R CA 2.444 58.649 56.100 0.175 0.000 0.937 143 R CB -1.272 28.988 30.300 -0.067 0.000 0.863 143 R HN 0.236 nan 8.270 nan 0.000 0.435 144 P HA -0.069 nan 4.420 nan 0.000 0.226 144 P C 0.473 177.801 177.300 0.048 0.000 1.153 144 P CA 1.110 64.271 63.100 0.102 0.000 0.777 144 P CB -0.042 31.689 31.700 0.052 0.000 0.794 145 Q N -0.989 118.838 119.800 0.045 0.000 2.230 145 Q HA 0.055 4.402 4.340 0.012 0.000 0.202 145 Q C 1.541 177.353 176.000 -0.314 0.000 0.963 145 Q CA 0.931 56.684 55.803 -0.082 0.000 0.866 145 Q CB -0.554 28.159 28.738 -0.041 0.000 0.931 145 Q HN 0.246 nan 8.270 nan 0.000 0.452 146 G N 1.850 110.290 108.800 -0.599 0.000 2.166 146 G HA2 -0.320 3.647 3.960 0.012 0.000 0.260 146 G HA3 -0.320 3.647 3.960 0.012 0.000 0.260 146 G C -0.057 173.861 174.900 -1.636 0.000 0.986 146 G CA 0.885 45.183 45.100 -1.338 0.000 0.683 146 G HN 0.480 nan 8.290 nan 0.000 0.527 147 Q N -1.883 117.027 119.800 -1.484 0.000 2.666 147 Q HA 0.598 4.946 4.340 0.012 0.000 0.276 147 Q C -0.416 175.441 176.000 -0.237 0.000 0.952 147 Q CA -0.736 54.565 55.803 -0.837 0.000 0.850 147 Q CB 1.320 29.836 28.738 -0.370 0.000 1.512 147 Q HN 1.480 nan 8.270 nan 0.000 0.395 148 C N -0.131 119.247 119.300 0.131 0.000 3.312 148 C HA 0.698 5.165 4.460 0.012 0.000 0.332 148 C C -1.483 173.649 174.990 0.237 0.000 1.340 148 C CA -0.913 58.259 59.018 0.257 0.000 1.265 148 C CB 1.319 29.340 27.740 0.467 0.000 1.563 148 C HN 0.989 nan 8.230 nan 0.000 0.471 149 N N 0.721 119.526 118.700 0.175 0.000 2.437 149 N HA 0.259 5.006 4.740 0.012 0.000 0.243 149 N C 0.113 175.730 175.510 0.177 0.000 1.041 149 N CA -1.141 52.002 53.050 0.155 0.000 0.940 149 N CB 0.275 38.815 38.487 0.089 0.000 1.133 149 N HN 0.769 nan 8.380 nan 0.000 0.506 150 F N 3.499 123.491 119.950 0.069 0.000 2.126 150 F HA -0.183 4.351 4.527 0.012 0.000 0.299 150 F C 1.750 177.571 175.800 0.036 0.000 1.096 150 F CA 1.632 59.644 58.000 0.021 0.000 1.255 150 F CB -0.318 38.576 39.000 -0.177 0.000 0.997 150 F HN 0.428 nan 8.300 nan 0.000 0.479 151 T N -0.335 114.251 114.554 0.052 0.000 2.684 151 T HA -0.250 4.108 4.350 0.012 0.000 0.267 151 T C 1.694 176.333 174.700 -0.102 0.000 1.036 151 T CA 1.831 63.907 62.100 -0.040 0.000 1.148 151 T CB -0.339 68.542 68.868 0.021 0.000 0.863 151 T HN 0.310 nan 8.240 nan 0.000 0.436 152 E N 0.912 121.085 120.200 -0.044 0.000 2.112 152 E HA -0.083 4.275 4.350 0.012 0.000 0.190 152 E C 1.591 178.166 176.600 -0.043 0.000 0.979 152 E CA 1.032 57.413 56.400 -0.032 0.000 0.814 152 E CB -0.102 29.600 29.700 0.004 0.000 0.762 152 E HN 0.318 nan 8.360 nan 0.000 0.460 153 D N -1.436 118.946 120.400 -0.030 0.000 2.301 153 D HA -0.024 4.624 4.640 0.012 0.000 0.206 153 D C 0.956 177.254 176.300 -0.003 0.000 0.979 153 D CA 0.611 54.621 54.000 0.016 0.000 0.874 153 D CB 0.191 41.053 40.800 0.104 0.000 0.968 153 D HN 0.259 nan 8.370 nan 0.000 0.510 154 Y N 0.546 120.668 120.300 -0.296 0.000 2.769 154 Y HA 0.377 4.934 4.550 0.012 0.000 0.266 154 Y C 2.092 177.747 175.900 -0.408 0.000 1.091 154 Y CA 0.697 58.574 58.100 -0.371 0.000 1.272 154 Y CB -0.140 37.997 38.460 -0.538 0.000 1.469 154 Y HN -0.130 nan 8.280 nan 0.000 0.475 155 A N 0.885 123.422 122.820 -0.471 0.000 1.877 155 A HA -0.133 4.194 4.320 0.012 0.000 0.216 155 A C 1.994 179.523 177.584 -0.092 0.000 1.186 155 A CA 1.941 53.844 52.037 -0.223 0.000 0.620 155 A CB -0.616 18.270 19.000 -0.189 0.000 0.822 155 A HN 0.528 nan 8.150 nan 0.000 0.443 156 E N -0.609 119.528 120.200 -0.106 0.000 2.051 156 E HA -0.134 4.224 4.350 0.012 0.000 0.192 156 E C -0.446 176.120 176.600 -0.056 0.000 0.991 156 E CA 1.647 58.011 56.400 -0.059 0.000 0.799 156 E CB -1.324 28.346 29.700 -0.051 0.000 0.748 156 E HN 0.511 nan 8.360 nan 0.000 0.449 157 P HA -0.058 nan 4.420 nan 0.000 0.231 157 P C 1.252 178.528 177.300 -0.040 0.000 1.168 157 P CA 0.575 63.638 63.100 -0.061 0.000 0.779 157 P CB -0.159 31.500 31.700 -0.068 0.000 0.844 158 F N 2.676 122.458 119.950 -0.280 0.000 2.074 158 F HA 0.040 4.574 4.527 0.011 0.000 0.293 158 F C -0.923 174.817 175.800 -0.100 0.000 1.116 158 F CA 1.174 59.009 58.000 -0.276 0.000 1.212 158 F CB -1.704 36.988 39.000 -0.515 0.000 0.998 158 F HN -0.057 nan 8.300 nan 0.000 0.471 159 P HA -0.156 nan 4.420 nan 0.000 0.217 159 P C 2.024 179.261 177.300 -0.105 0.000 1.150 159 P CA 1.379 64.360 63.100 -0.199 0.000 0.832 159 P CB -0.197 31.477 31.700 -0.045 0.000 0.787 160 I N -0.267 120.268 120.570 -0.058 0.000 2.286 160 I HA -0.174 4.003 4.170 0.012 0.000 0.248 160 I C 2.250 178.381 176.117 0.024 0.000 1.115 160 I CA 1.463 62.760 61.300 -0.006 0.000 1.392 160 I CB -0.435 37.550 38.000 -0.026 0.000 1.065 160 I HN -0.238 nan 8.210 nan 0.000 0.418 161 R N -0.072 120.404 120.500 -0.040 0.000 2.115 161 R HA -0.026 4.321 4.340 0.012 0.000 0.230 161 R C 2.316 178.573 176.300 -0.071 0.000 1.111 161 R CA 1.589 57.666 56.100 -0.037 0.000 0.976 161 R CB -0.341 29.939 30.300 -0.033 0.000 0.870 161 R HN 0.384 nan 8.270 nan 0.000 0.445 162 I N -0.100 120.373 120.570 -0.163 0.000 2.315 162 I HA -0.268 3.910 4.170 0.012 0.000 0.248 162 I C 2.052 178.132 176.117 -0.063 0.000 1.117 162 I CA 1.026 62.223 61.300 -0.171 0.000 1.404 162 I CB -0.196 37.611 38.000 -0.322 0.000 1.071 162 I HN 0.085 nan 8.210 nan 0.000 0.419 163 F N 1.470 121.350 119.950 -0.118 0.000 2.134 163 F HA -0.274 4.260 4.527 0.012 0.000 0.299 163 F C 2.480 178.256 175.800 -0.040 0.000 1.097 163 F CA 1.628 59.586 58.000 -0.070 0.000 1.264 163 F CB -0.094 38.869 39.000 -0.062 0.000 1.001 163 F HN -0.056 nan 8.300 nan 0.000 0.479 164 M N -0.301 119.300 119.600 0.002 0.000 2.159 164 M HA -0.145 4.342 4.480 0.012 0.000 0.263 164 M C 2.279 178.497 176.300 -0.136 0.000 1.063 164 M CA 1.281 56.548 55.300 -0.055 0.000 1.110 164 M CB -1.744 30.878 32.600 0.037 0.000 1.374 164 M HN 0.376 nan 8.290 nan 0.000 0.411 165 L N 0.821 121.974 121.223 -0.116 0.000 1.994 165 L HA -0.157 4.191 4.340 0.012 0.000 0.208 165 L C 2.342 179.116 176.870 -0.159 0.000 1.071 165 L CA 1.581 56.356 54.840 -0.109 0.000 0.745 165 L CB -1.055 40.955 42.059 -0.081 0.000 0.892 165 L HN 0.216 nan 8.230 nan 0.000 0.431 166 L N 0.183 121.274 121.223 -0.220 0.000 2.043 166 L HA -0.135 4.213 4.340 0.012 0.000 0.212 166 L C 2.198 178.876 176.870 -0.319 0.000 1.075 166 L CA 2.251 56.941 54.840 -0.251 0.000 0.752 166 L CB -0.834 41.059 42.059 -0.275 0.000 0.891 166 L HN 0.359 nan 8.230 nan 0.000 0.432 167 A N -1.491 121.029 122.820 -0.501 0.000 2.308 167 A HA 0.443 4.771 4.320 0.012 0.000 0.217 167 A C 1.462 178.907 177.584 -0.232 0.000 1.216 167 A CA 0.413 52.173 52.037 -0.460 0.000 0.864 167 A CB -0.729 17.756 19.000 -0.857 0.000 0.902 167 A HN 0.791 nan 8.150 nan 0.000 0.499 168 G N -0.140 108.554 108.800 -0.177 0.000 2.314 168 G HA2 -0.212 3.756 3.960 0.012 0.000 0.292 168 G HA3 -0.212 3.756 3.960 0.012 0.000 0.292 168 G C -0.136 174.729 174.900 -0.058 0.000 1.059 168 G CA 0.565 45.608 45.100 -0.095 0.000 0.982 168 G HN 0.474 nan 8.290 nan 0.000 0.505 169 L N 0.593 121.790 121.223 -0.043 0.000 2.331 169 L HA 0.539 4.886 4.340 0.012 0.000 0.275 169 L C -1.557 175.344 176.870 0.051 0.000 1.022 169 L CA -2.444 52.419 54.840 0.039 0.000 0.812 169 L CB 1.789 43.924 42.059 0.126 0.000 1.257 169 L HN -0.019 nan 8.230 nan 0.000 0.435 170 P HA 0.036 nan 4.420 nan 0.000 0.271 170 P C 0.160 177.500 177.300 0.067 0.000 1.216 170 P CA -0.195 62.941 63.100 0.060 0.000 0.776 170 P CB 1.014 32.752 31.700 0.063 0.000 0.881 171 E N 1.431 121.657 120.200 0.044 0.000 2.160 171 E HA -0.248 4.110 4.350 0.012 0.000 0.195 171 E C 1.052 177.677 176.600 0.043 0.000 0.991 171 E CA 1.323 57.746 56.400 0.039 0.000 0.810 171 E CB 0.076 29.792 29.700 0.026 0.000 0.742 171 E HN 0.418 nan 8.360 nan 0.000 0.466 172 E N 0.601 120.829 120.200 0.046 0.000 2.267 172 E HA -0.169 4.189 4.350 0.012 0.000 0.197 172 E C 1.128 177.762 176.600 0.057 0.000 0.998 172 E CA 1.200 57.627 56.400 0.044 0.000 0.830 172 E CB 0.021 29.746 29.700 0.042 0.000 0.751 172 E HN 0.268 nan 8.360 nan 0.000 0.491 173 D N -0.625 119.824 120.400 0.081 0.000 2.340 173 D HA 0.054 4.701 4.640 0.012 0.000 0.220 173 D C 1.519 177.837 176.300 0.031 0.000 1.039 173 D CA 0.138 54.190 54.000 0.087 0.000 0.866 173 D CB 0.076 40.983 40.800 0.179 0.000 0.913 173 D HN 0.225 nan 8.370 nan 0.000 0.523 174 I N 1.786 122.377 120.570 0.035 0.000 2.142 174 I HA -0.184 3.993 4.170 0.012 0.000 0.240 174 I C -0.541 175.578 176.117 0.004 0.000 1.078 174 I CA 1.189 62.498 61.300 0.014 0.000 1.343 174 I CB -1.179 36.833 38.000 0.020 0.000 1.046 174 I HN 0.017 nan 8.210 nan 0.000 0.405 175 P HA -0.184 nan 4.420 nan 0.000 0.219 175 P C 1.305 178.642 177.300 0.062 0.000 1.150 175 P CA 1.721 64.843 63.100 0.036 0.000 0.814 175 P CB -0.182 31.538 31.700 0.034 0.000 0.787 176 H N -0.299 118.748 119.070 -0.038 0.000 2.363 176 H HA -0.035 4.528 4.556 0.012 0.000 0.301 176 H C 1.833 177.117 175.328 -0.073 0.000 1.074 176 H CA 1.052 57.073 56.048 -0.044 0.000 1.354 176 H CB -0.803 28.910 29.762 -0.082 0.000 1.397 176 H HN -0.158 nan 8.280 nan 0.000 0.516 177 L N 0.787 121.846 121.223 -0.273 0.000 2.046 177 L HA -0.069 4.278 4.340 0.012 0.000 0.208 177 L C 2.255 178.975 176.870 -0.251 0.000 1.077 177 L CA 1.869 56.488 54.840 -0.369 0.000 0.747 177 L CB -0.836 41.040 42.059 -0.306 0.000 0.896 177 L HN 0.198 nan 8.230 nan 0.000 0.432 178 K N -1.521 118.794 120.400 -0.142 0.000 2.097 178 K HA -0.268 4.060 4.320 0.012 0.000 0.206 178 K C 2.182 178.722 176.600 -0.099 0.000 1.049 178 K CA 1.593 57.819 56.287 -0.102 0.000 0.933 178 K CB -0.725 31.748 32.500 -0.044 0.000 0.717 178 K HN 0.382 nan 8.250 nan 0.000 0.442 179 Y N 0.726 120.920 120.300 -0.178 0.000 2.181 179 Y HA -0.146 4.412 4.550 0.012 0.000 0.288 179 Y C 1.564 177.344 175.900 -0.199 0.000 1.146 179 Y CA 1.828 59.831 58.100 -0.162 0.000 1.164 179 Y CB -0.102 38.278 38.460 -0.135 0.000 0.982 179 Y HN 0.006 nan 8.280 nan 0.000 0.515 180 L N -0.664 120.382 121.223 -0.294 0.000 2.017 180 L HA -0.222 4.126 4.340 0.012 0.000 0.208 180 L C 2.610 179.291 176.870 -0.314 0.000 1.073 180 L CA 1.958 56.598 54.840 -0.334 0.000 0.745 180 L CB -1.330 40.526 42.059 -0.339 0.000 0.894 180 L HN 0.352 nan 8.230 nan 0.000 0.432 181 T N -3.858 110.538 114.554 -0.262 0.000 2.821 181 T HA -0.169 4.188 4.350 0.012 0.000 0.267 181 T C 1.516 176.108 174.700 -0.181 0.000 1.046 181 T CA 1.254 63.236 62.100 -0.196 0.000 1.139 181 T CB -0.388 68.372 68.868 -0.179 0.000 0.871 181 T HN 0.168 nan 8.240 nan 0.000 0.454 182 D N 1.342 121.607 120.400 -0.225 0.000 2.149 182 D HA -0.098 4.549 4.640 0.012 0.000 0.198 182 D C 2.412 178.558 176.300 -0.257 0.000 0.990 182 D CA 1.040 54.907 54.000 -0.222 0.000 0.839 182 D CB -0.267 40.390 40.800 -0.239 0.000 0.948 182 D HN 0.376 nan 8.370 nan 0.000 0.460 183 Q N -0.493 119.080 119.800 -0.379 0.000 2.230 183 Q HA 0.052 4.399 4.340 0.012 0.000 0.202 183 Q C 2.149 178.062 176.000 -0.146 0.000 0.963 183 Q CA 0.512 56.128 55.803 -0.312 0.000 0.866 183 Q CB -0.258 28.244 28.738 -0.394 0.000 0.931 183 Q HN 0.439 nan 8.270 nan 0.000 0.452 184 M N -0.145 119.380 119.600 -0.124 0.000 2.492 184 M HA -0.060 4.427 4.480 0.012 0.000 0.262 184 M C 1.518 177.918 176.300 0.166 0.000 1.090 184 M CA 1.553 56.879 55.300 0.044 0.000 1.110 184 M CB 0.120 32.684 32.600 -0.060 0.000 1.407 184 M HN 0.252 nan 8.290 nan 0.000 0.470 185 T N -3.658 110.918 114.554 0.037 0.000 2.964 185 T HA 0.225 4.582 4.350 0.012 0.000 0.249 185 T C 1.072 175.766 174.700 -0.010 0.000 1.000 185 T CA -0.247 61.867 62.100 0.022 0.000 0.992 185 T CB 0.315 69.190 68.868 0.011 0.000 1.087 185 T HN 0.183 nan 8.240 nan 0.000 0.489 186 R N 2.231 122.708 120.500 -0.038 0.000 2.638 186 R HA 0.337 4.684 4.340 0.012 0.000 0.269 186 R C -2.922 173.339 176.300 -0.066 0.000 1.393 186 R CA -1.621 54.453 56.100 -0.044 0.000 1.531 186 R CB 1.136 31.408 30.300 -0.046 0.000 1.327 186 R HN 0.298 nan 8.270 nan 0.000 0.709 187 P HA 0.006 nan 4.420 nan 0.000 0.267 187 P C -0.438 176.838 177.300 -0.041 0.000 1.205 187 P CA 0.212 63.273 63.100 -0.066 0.000 0.765 187 P CB 1.051 32.733 31.700 -0.030 0.000 0.828 188 D N 1.413 121.792 120.400 -0.035 0.000 2.349 188 D HA 0.114 4.761 4.640 0.012 0.000 0.215 188 D C 1.394 177.709 176.300 0.024 0.000 1.016 188 D CA 0.527 54.534 54.000 0.011 0.000 0.870 188 D CB -0.277 40.556 40.800 0.054 0.000 0.917 188 D HN 0.596 nan 8.370 nan 0.000 0.524 189 G N -0.579 108.232 108.800 0.017 0.000 2.201 189 G HA2 -0.311 3.656 3.960 0.012 0.000 0.212 189 G HA3 -0.311 3.656 3.960 0.012 0.000 0.212 189 G C 1.336 176.260 174.900 0.039 0.000 0.994 189 G CA 0.284 45.398 45.100 0.023 0.000 0.644 189 G HN 0.277 nan 8.290 nan 0.000 0.508 190 S N 0.012 115.755 115.700 0.071 0.000 2.423 190 S HA 0.289 4.767 4.470 0.012 0.000 0.231 190 S C 0.968 175.614 174.600 0.075 0.000 1.014 190 S CA 1.271 59.528 58.200 0.094 0.000 0.965 190 S CB -0.062 63.246 63.200 0.181 0.000 0.785 190 S HN 0.606 nan 8.310 nan 0.000 0.495 191 M N 1.241 120.871 119.600 0.050 0.000 2.386 191 M HA 0.258 4.745 4.480 0.012 0.000 0.293 191 M C -0.268 176.031 176.300 -0.001 0.000 1.120 191 M CA -0.561 54.752 55.300 0.020 0.000 0.909 191 M CB 2.241 34.844 32.600 0.004 0.000 1.661 191 M HN 0.023 nan 8.290 nan 0.000 0.452 192 T N -1.202 113.357 114.554 0.008 0.000 2.802 192 T HA 0.162 4.520 4.350 0.012 0.000 0.305 192 T C 0.805 175.517 174.700 0.021 0.000 1.053 192 T CA -0.302 61.817 62.100 0.031 0.000 1.058 192 T CB 0.785 69.679 68.868 0.044 0.000 0.988 192 T HN 0.596 nan 8.240 nan 0.000 0.539 193 F N 1.738 121.654 119.950 -0.056 0.000 2.091 193 F HA -0.066 4.468 4.527 0.012 0.000 0.299 193 F C 2.555 178.304 175.800 -0.085 0.000 1.103 193 F CA 2.073 60.030 58.000 -0.072 0.000 1.228 193 F CB -0.970 37.995 39.000 -0.057 0.000 0.984 193 F HN 0.743 nan 8.300 nan 0.000 0.477 194 A N -0.164 122.698 122.820 0.071 0.000 1.933 194 A HA -0.200 4.127 4.320 0.012 0.000 0.218 194 A C 2.102 179.607 177.584 -0.132 0.000 1.175 194 A CA 1.880 53.904 52.037 -0.021 0.000 0.628 194 A CB -0.857 18.191 19.000 0.079 0.000 0.814 194 A HN 0.592 nan 8.150 nan 0.000 0.444 195 E N -0.387 119.758 120.200 -0.092 0.000 2.106 195 E HA -0.043 4.314 4.350 0.012 0.000 0.192 195 E C 2.312 178.827 176.600 -0.142 0.000 0.984 195 E CA 0.815 57.168 56.400 -0.080 0.000 0.806 195 E CB -0.241 29.441 29.700 -0.029 0.000 0.750 195 E HN 0.624 nan 8.360 nan 0.000 0.458 196 A N 1.764 124.449 122.820 -0.225 0.000 1.873 196 A HA -0.216 4.111 4.320 0.012 0.000 0.215 196 A C 2.066 179.423 177.584 -0.377 0.000 1.186 196 A CA 1.496 53.367 52.037 -0.277 0.000 0.616 196 A CB -0.359 18.444 19.000 -0.328 0.000 0.823 196 A HN 0.050 nan 8.150 nan 0.000 0.442 197 K N -0.587 119.467 120.400 -0.575 0.000 2.032 197 K HA -0.198 4.129 4.320 0.012 0.000 0.209 197 K C 1.806 178.011 176.600 -0.659 0.000 1.048 197 K CA 1.638 57.493 56.287 -0.719 0.000 0.927 197 K CB -0.129 31.843 32.500 -0.879 0.000 0.712 197 K HN 0.354 nan 8.250 nan 0.000 0.441 198 E N 0.156 120.150 120.200 -0.345 0.000 2.150 198 E HA -0.116 4.241 4.350 0.012 0.000 0.193 198 E C 1.859 178.440 176.600 -0.031 0.000 0.985 198 E CA 1.014 57.349 56.400 -0.109 0.000 0.814 198 E CB -0.137 29.559 29.700 -0.006 0.000 0.752 198 E HN 0.427 nan 8.360 nan 0.000 0.466 199 A N 1.121 123.903 122.820 -0.062 0.000 1.930 199 A HA -0.141 4.186 4.320 0.012 0.000 0.217 199 A C 2.217 179.830 177.584 0.048 0.000 1.175 199 A CA 1.080 53.133 52.037 0.026 0.000 0.627 199 A CB -0.493 18.525 19.000 0.029 0.000 0.815 199 A HN 0.251 nan 8.150 nan 0.000 0.443 200 L N -1.382 119.790 121.223 -0.085 0.000 2.046 200 L HA -0.134 4.214 4.340 0.012 0.000 0.208 200 L C 2.233 179.210 176.870 0.178 0.000 1.077 200 L CA 1.919 56.742 54.840 -0.028 0.000 0.747 200 L CB -0.854 41.098 42.059 -0.179 0.000 0.896 200 L HN 0.446 nan 8.230 nan 0.000 0.432 201 Y N 0.168 120.524 120.300 0.094 0.000 2.200 201 Y HA -0.172 4.385 4.550 0.012 0.000 0.290 201 Y C 2.502 178.459 175.900 0.095 0.000 1.137 201 Y CA 0.886 59.040 58.100 0.089 0.000 1.163 201 Y CB -1.193 37.300 38.460 0.055 0.000 0.988 201 Y HN 0.287 nan 8.280 nan 0.000 0.518 202 D N -1.038 119.512 120.400 0.250 0.000 2.133 202 D HA -0.249 4.399 4.640 0.012 0.000 0.195 202 D C 2.043 178.466 176.300 0.206 0.000 0.997 202 D CA 1.519 55.630 54.000 0.185 0.000 0.840 202 D CB -0.733 40.161 40.800 0.156 0.000 0.947 202 D HN 0.423 nan 8.370 nan 0.000 0.452 203 Y N 1.023 121.396 120.300 0.123 0.000 2.184 203 Y HA -0.070 4.487 4.550 0.012 0.000 0.290 203 Y C 2.195 178.160 175.900 0.109 0.000 1.129 203 Y CA 1.210 59.382 58.100 0.119 0.000 1.144 203 Y CB -0.332 38.211 38.460 0.139 0.000 0.995 203 Y HN -0.105 nan 8.280 nan 0.000 0.513 204 L N -0.583 120.726 121.223 0.143 0.000 2.109 204 L HA -0.151 4.197 4.340 0.012 0.000 0.207 204 L C 2.378 179.238 176.870 -0.015 0.000 1.086 204 L CA 0.977 55.837 54.840 0.034 0.000 0.760 204 L CB -0.466 41.710 42.059 0.195 0.000 0.910 204 L HN 0.247 nan 8.230 nan 0.000 0.437 205 I N 0.108 120.697 120.570 0.031 0.000 2.163 205 I HA -0.226 3.952 4.170 0.012 0.000 0.243 205 I C -0.347 175.754 176.117 -0.026 0.000 1.085 205 I CA 1.641 62.944 61.300 0.005 0.000 1.347 205 I CB -1.172 36.841 38.000 0.022 0.000 1.044 205 I HN 0.198 nan 8.210 nan 0.000 0.408 206 P HA -0.119 nan 4.420 nan 0.000 0.217 206 P C 1.775 179.031 177.300 -0.074 0.000 1.150 206 P CA 1.504 64.573 63.100 -0.052 0.000 0.832 206 P CB -0.017 31.648 31.700 -0.058 0.000 0.787 207 I N -1.454 119.044 120.570 -0.121 0.000 2.252 207 I HA -0.196 3.982 4.170 0.012 0.000 0.245 207 I C 2.265 178.340 176.117 -0.069 0.000 1.102 207 I CA 1.241 62.468 61.300 -0.121 0.000 1.385 207 I CB -0.621 37.259 38.000 -0.200 0.000 1.064 207 I HN -0.147 nan 8.210 nan 0.000 0.414 208 I N 0.631 121.170 120.570 -0.052 0.000 2.163 208 I HA -0.281 3.897 4.170 0.012 0.000 0.243 208 I C 2.645 178.747 176.117 -0.025 0.000 1.085 208 I CA 1.406 62.690 61.300 -0.027 0.000 1.347 208 I CB -0.389 37.603 38.000 -0.013 0.000 1.044 208 I HN 0.235 nan 8.210 nan 0.000 0.408 209 E N 0.456 120.640 120.200 -0.027 0.000 2.077 209 E HA -0.250 4.107 4.350 0.012 0.000 0.193 209 E C 2.198 178.784 176.600 -0.023 0.000 0.989 209 E CA 1.265 57.653 56.400 -0.021 0.000 0.800 209 E CB -0.306 29.383 29.700 -0.019 0.000 0.746 209 E HN 0.602 nan 8.360 nan 0.000 0.452 210 Q N 0.258 120.040 119.800 -0.030 0.000 2.096 210 Q HA -0.105 4.242 4.340 0.012 0.000 0.204 210 Q C 2.151 178.135 176.000 -0.026 0.000 0.982 210 Q CA 1.333 57.119 55.803 -0.029 0.000 0.850 210 Q CB -0.090 28.625 28.738 -0.037 0.000 0.901 210 Q HN 0.133 nan 8.270 nan 0.000 0.422 211 R N -0.216 120.267 120.500 -0.029 0.000 2.240 211 R HA 0.052 4.399 4.340 0.012 0.000 0.203 211 R C 2.097 178.385 176.300 -0.020 0.000 1.011 211 R CA 0.177 56.261 56.100 -0.026 0.000 1.007 211 R CB -0.001 30.280 30.300 -0.030 0.000 0.911 211 R HN 0.131 nan 8.270 nan 0.000 0.468 212 R N 0.900 121.390 120.500 -0.017 0.000 2.081 212 R HA -0.132 4.215 4.340 0.012 0.000 0.235 212 R C 1.692 177.984 176.300 -0.013 0.000 1.131 212 R CA 1.425 57.518 56.100 -0.013 0.000 0.960 212 R CB 0.216 30.509 30.300 -0.011 0.000 0.856 212 R HN 0.199 nan 8.270 nan 0.000 0.436 213 Q N -0.267 119.525 119.800 -0.014 0.000 2.204 213 Q HA -0.013 4.334 4.340 0.012 0.000 0.198 213 Q C 0.399 176.391 176.000 -0.014 0.000 0.946 213 Q CA 0.844 56.639 55.803 -0.013 0.000 0.859 213 Q CB 0.395 29.125 28.738 -0.013 0.000 0.946 213 Q HN 0.068 nan 8.270 nan 0.000 0.474 214 K N 1.706 122.097 120.400 -0.016 0.000 2.753 214 K HA 0.250 4.577 4.320 0.012 0.000 0.185 214 K C -2.641 173.947 176.600 -0.019 0.000 1.071 214 K CA -1.596 54.681 56.287 -0.017 0.000 0.999 214 K CB 1.220 33.710 32.500 -0.017 0.000 1.244 214 K HN -0.104 nan 8.250 nan 0.000 0.594 215 P HA 0.195 nan 4.420 nan 0.000 0.278 215 P C -0.096 177.191 177.300 -0.022 0.000 1.238 215 P CA -0.181 62.907 63.100 -0.021 0.000 0.794 215 P CB 1.715 33.404 31.700 -0.019 0.000 0.955 216 G N 0.506 109.290 108.800 -0.026 0.000 2.736 216 G HA2 0.432 4.399 3.960 0.012 0.000 0.229 216 G HA3 0.432 4.399 3.960 0.012 0.000 0.229 216 G C 0.438 175.320 174.900 -0.029 0.000 1.380 216 G CA -0.163 44.921 45.100 -0.027 0.000 1.040 216 G HN 0.494 nan 8.290 nan 0.000 0.568 217 T N -1.491 113.044 114.554 -0.032 0.000 3.085 217 T HA 0.198 4.556 4.350 0.012 0.000 0.264 217 T C 0.404 175.079 174.700 -0.042 0.000 1.019 217 T CA 0.214 62.294 62.100 -0.032 0.000 0.910 217 T CB -0.287 68.564 68.868 -0.029 0.000 1.059 217 T HN 0.584 nan 8.240 nan 0.000 0.542 218 D N 1.028 121.397 120.400 -0.051 0.000 2.371 218 D HA 0.316 4.964 4.640 0.012 0.000 0.242 218 D C 1.443 177.699 176.300 -0.073 0.000 1.218 218 D CA -0.149 53.806 54.000 -0.074 0.000 0.945 218 D CB 1.376 42.125 40.800 -0.086 0.000 1.137 218 D HN 0.100 nan 8.370 nan 0.000 0.464 219 A N 1.064 123.822 122.820 -0.102 0.000 1.933 219 A HA -0.141 4.186 4.320 0.012 0.000 0.218 219 A C 2.377 179.934 177.584 -0.046 0.000 1.175 219 A CA 1.088 53.079 52.037 -0.077 0.000 0.628 219 A CB -0.735 18.198 19.000 -0.112 0.000 0.814 219 A HN 0.664 nan 8.150 nan 0.000 0.444 220 I N -0.460 120.074 120.570 -0.059 0.000 2.252 220 I HA -0.203 3.975 4.170 0.012 0.000 0.245 220 I C 2.674 178.779 176.117 -0.019 0.000 1.102 220 I CA 1.333 62.620 61.300 -0.023 0.000 1.385 220 I CB -0.392 37.594 38.000 -0.024 0.000 1.064 220 I HN 0.222 nan 8.210 nan 0.000 0.414 221 S N 0.999 116.681 115.700 -0.031 0.000 2.359 221 S HA -0.143 4.334 4.470 0.012 0.000 0.224 221 S C 2.012 176.602 174.600 -0.017 0.000 1.035 221 S CA 1.227 59.413 58.200 -0.024 0.000 1.018 221 S CB -0.204 62.979 63.200 -0.029 0.000 0.876 221 S HN 0.275 nan 8.310 nan 0.000 0.448 222 I N 1.230 121.789 120.570 -0.018 0.000 2.202 222 I HA -0.087 4.091 4.170 0.012 0.000 0.242 222 I C 2.341 178.459 176.117 0.001 0.000 1.091 222 I CA 0.996 62.289 61.300 -0.011 0.000 1.368 222 I CB -1.568 36.423 38.000 -0.014 0.000 1.058 222 I HN 0.156 nan 8.210 nan 0.000 0.410 223 V N 1.619 121.539 119.914 0.011 0.000 2.287 223 V HA -0.275 3.853 4.120 0.012 0.000 0.248 223 V C 2.828 178.939 176.094 0.028 0.000 1.053 223 V CA 1.977 64.296 62.300 0.031 0.000 1.027 223 V CB -1.156 30.694 31.823 0.046 0.000 0.646 223 V HN 0.477 nan 8.190 nan 0.000 0.447 224 A N -0.004 122.825 122.820 0.015 0.000 2.019 224 A HA -0.190 4.137 4.320 0.012 0.000 0.219 224 A C 1.800 179.387 177.584 0.006 0.000 1.164 224 A CA 2.019 54.062 52.037 0.010 0.000 0.644 224 A CB -0.658 18.342 19.000 -0.001 0.000 0.805 224 A HN 0.671 nan 8.150 nan 0.000 0.449 225 N N -0.495 118.206 118.700 0.001 0.000 2.270 225 N HA 0.265 5.012 4.740 0.012 0.000 0.198 225 N C 0.772 176.279 175.510 -0.006 0.000 1.117 225 N CA 0.401 53.448 53.050 -0.004 0.000 0.845 225 N CB 0.422 38.903 38.487 -0.010 0.000 0.980 225 N HN 0.432 nan 8.380 nan 0.000 0.486 226 G N -0.254 108.547 108.800 0.001 0.000 2.634 226 G HA2 0.224 4.191 3.960 0.012 0.000 0.255 226 G HA3 0.224 4.191 3.960 0.012 0.000 0.255 226 G C -0.400 174.487 174.900 -0.021 0.000 1.205 226 G CA -0.341 44.754 45.100 -0.008 0.000 0.884 226 G HN 0.069 nan 8.290 nan 0.000 0.549 227 Q N -1.130 118.641 119.800 -0.048 0.000 2.353 227 Q HA 0.505 4.852 4.340 0.012 0.000 0.268 227 Q C -1.069 174.857 176.000 -0.124 0.000 1.045 227 Q CA -0.808 54.957 55.803 -0.064 0.000 0.811 227 Q CB 2.688 31.392 28.738 -0.057 0.000 1.305 227 Q HN 0.462 nan 8.270 nan 0.000 0.447 228 V N 2.357 122.192 119.914 -0.132 0.000 2.638 228 V HA 0.398 4.525 4.120 0.012 0.000 0.306 228 V C -0.722 175.292 176.094 -0.133 0.000 1.052 228 V CA -0.446 61.718 62.300 -0.227 0.000 0.885 228 V CB 1.645 33.223 31.823 -0.408 0.000 0.999 228 V HN 0.888 nan 8.190 nan 0.000 0.424 229 N N 4.300 122.919 118.700 -0.136 0.000 2.727 229 N HA -0.178 4.569 4.740 0.012 0.000 0.249 229 N C 1.128 176.606 175.510 -0.054 0.000 1.048 229 N CA 1.964 54.967 53.050 -0.078 0.000 0.714 229 N CB -1.348 37.110 38.487 -0.049 0.000 0.959 229 N HN 2.092 nan 8.380 nan 0.000 0.544 230 G N -1.497 107.267 108.800 -0.060 0.000 2.175 230 G HA2 -0.402 3.565 3.960 0.012 0.000 0.265 230 G HA3 -0.402 3.565 3.960 0.012 0.000 0.265 230 G C 0.217 175.096 174.900 -0.035 0.000 0.979 230 G CA 1.417 46.491 45.100 -0.044 0.000 0.663 230 G HN 0.927 nan 8.290 nan 0.000 0.533 231 R N -1.245 119.233 120.500 -0.036 0.000 2.912 231 R HA 0.807 5.154 4.340 0.012 0.000 0.262 231 R C -3.272 173.015 176.300 -0.022 0.000 1.057 231 R CA -2.612 53.474 56.100 -0.023 0.000 0.981 231 R CB -0.040 30.252 30.300 -0.013 0.000 1.201 231 R HN 0.042 nan 8.270 nan 0.000 0.484 232 P HA 0.085 nan 4.420 nan 0.000 0.271 232 P C -0.229 177.077 177.300 0.009 0.000 1.216 232 P CA -0.287 62.810 63.100 -0.005 0.000 0.776 232 P CB 0.452 32.151 31.700 -0.002 0.000 0.881 233 I N 2.537 123.119 120.570 0.019 0.000 2.775 233 I HA -0.035 4.142 4.170 0.012 0.000 0.290 233 I C 0.814 176.962 176.117 0.051 0.000 1.203 233 I CA 0.411 61.747 61.300 0.061 0.000 1.433 233 I CB 0.487 38.537 38.000 0.084 0.000 1.354 233 I HN 0.429 nan 8.210 nan 0.000 0.579 234 T N 2.421 117.013 114.554 0.064 0.000 2.828 234 T HA 0.081 4.438 4.350 0.012 0.000 0.290 234 T C 1.148 175.856 174.700 0.014 0.000 1.019 234 T CA -0.056 62.063 62.100 0.032 0.000 1.031 234 T CB 1.606 70.491 68.868 0.029 0.000 1.001 234 T HN 0.733 nan 8.240 nan 0.000 0.531 235 S N 0.297 115.993 115.700 -0.008 0.000 2.370 235 S HA -0.215 4.262 4.470 0.012 0.000 0.226 235 S C 1.678 176.237 174.600 -0.067 0.000 1.033 235 S CA 2.096 60.278 58.200 -0.029 0.000 1.011 235 S CB -0.999 62.184 63.200 -0.029 0.000 0.852 235 S HN 0.922 nan 8.310 nan 0.000 0.457 236 D N 0.263 120.618 120.400 -0.075 0.000 2.092 236 D HA -0.151 4.496 4.640 0.012 0.000 0.193 236 D C 2.013 178.233 176.300 -0.134 0.000 0.994 236 D CA 1.835 55.757 54.000 -0.130 0.000 0.828 236 D CB -0.255 40.491 40.800 -0.089 0.000 0.963 236 D HN 0.642 nan 8.370 nan 0.000 0.450 237 E N -0.138 120.026 120.200 -0.061 0.000 2.058 237 E HA -0.183 4.174 4.350 0.012 0.000 0.194 237 E C 2.160 178.737 176.600 -0.039 0.000 0.997 237 E CA 1.090 57.457 56.400 -0.056 0.000 0.801 237 E CB -0.213 29.548 29.700 0.101 0.000 0.746 237 E HN 0.392 nan 8.360 nan 0.000 0.450 238 A N 2.120 124.939 122.820 -0.000 0.000 1.930 238 A HA -0.234 4.093 4.320 0.012 0.000 0.217 238 A C 2.083 179.660 177.584 -0.013 0.000 1.175 238 A CA 1.838 53.884 52.037 0.016 0.000 0.627 238 A CB -0.474 18.539 19.000 0.022 0.000 0.815 238 A HN 0.258 nan 8.150 nan 0.000 0.443 239 K N -0.556 119.797 120.400 -0.078 0.000 2.097 239 K HA -0.080 4.247 4.320 0.012 0.000 0.205 239 K C 1.973 178.549 176.600 -0.040 0.000 1.050 239 K CA 1.305 57.537 56.287 -0.093 0.000 0.938 239 K CB -0.253 32.078 32.500 -0.281 0.000 0.718 239 K HN 0.334 nan 8.250 nan 0.000 0.442 240 R N 0.110 120.546 120.500 -0.106 0.000 2.090 240 R HA -0.007 4.340 4.340 0.012 0.000 0.228 240 R C 2.404 178.742 176.300 0.063 0.000 1.110 240 R CA 1.541 57.694 56.100 0.087 0.000 0.973 240 R CB -0.306 29.988 30.300 -0.009 0.000 0.869 240 R HN 0.253 nan 8.270 nan 0.000 0.440 241 M N 0.121 119.713 119.600 -0.013 0.000 2.099 241 M HA -0.133 4.354 4.480 0.012 0.000 0.262 241 M C 1.913 178.208 176.300 -0.008 0.000 1.067 241 M CA 1.700 56.995 55.300 -0.008 0.000 1.124 241 M CB -0.300 32.320 32.600 0.034 0.000 1.353 241 M HN 0.105 nan 8.290 nan 0.000 0.410 242 C N 0.469 119.787 119.300 0.030 0.000 2.425 242 C HA 0.026 4.493 4.460 0.012 0.000 0.277 242 C C 2.744 177.718 174.990 -0.028 0.000 1.280 242 C CA 0.806 59.872 59.018 0.079 0.000 1.744 242 C CB -2.094 25.727 27.740 0.135 0.000 1.989 242 C HN 0.804 nan 8.230 nan 0.000 0.491 243 G N 0.179 108.907 108.800 -0.121 0.000 2.418 243 G HA2 -0.183 3.785 3.960 0.012 0.000 0.217 243 G HA3 -0.183 3.785 3.960 0.012 0.000 0.217 243 G C 1.504 175.799 174.900 -1.009 0.000 1.158 243 G CA 0.776 45.597 45.100 -0.465 0.000 0.771 243 G HN 0.444 nan 8.290 nan 0.000 0.545 244 L N 0.458 121.158 121.223 -0.871 0.000 2.056 244 L HA 0.185 4.533 4.340 0.012 0.000 0.207 244 L C 2.687 179.393 176.870 -0.273 0.000 1.078 244 L CA 1.181 55.665 54.840 -0.593 0.000 0.749 244 L CB -0.446 41.500 42.059 -0.189 0.000 0.901 244 L HN 0.189 nan 8.230 nan 0.000 0.433 245 L N -1.283 119.851 121.223 -0.147 0.000 2.127 245 L HA -0.218 4.130 4.340 0.012 0.000 0.211 245 L C 2.377 179.183 176.870 -0.108 0.000 1.089 245 L CA 0.906 55.747 54.840 0.002 0.000 0.757 245 L CB -0.593 41.568 42.059 0.171 0.000 0.899 245 L HN 0.374 nan 8.230 nan 0.000 0.434 246 L N -0.800 120.140 121.223 -0.471 0.000 2.034 246 L HA -0.085 4.263 4.340 0.012 0.000 0.203 246 L C 2.284 178.839 176.870 -0.524 0.000 1.074 246 L CA 1.660 55.884 54.840 -1.027 0.000 0.748 246 L CB -0.411 40.931 42.059 -1.195 0.000 0.905 246 L HN -0.119 nan 8.230 nan 0.000 0.439 247 V N 0.449 120.123 119.914 -0.400 0.000 2.548 247 V HA -0.101 4.026 4.120 0.012 0.000 0.249 247 V C 2.606 178.654 176.094 -0.076 0.000 1.055 247 V CA 1.455 63.638 62.300 -0.195 0.000 1.065 247 V CB -1.469 30.309 31.823 -0.075 0.000 0.681 247 V HN 0.646 nan 8.190 nan 0.000 0.462 248 G N 0.260 109.018 108.800 -0.069 0.000 2.448 248 G HA2 -0.129 3.839 3.960 0.012 0.000 0.219 248 G HA3 -0.129 3.839 3.960 0.012 0.000 0.219 248 G C 1.373 176.292 174.900 0.031 0.000 1.127 248 G CA 0.884 45.999 45.100 0.024 0.000 0.766 248 G HN 0.617 nan 8.290 nan 0.000 0.552 249 G N -0.472 108.325 108.800 -0.005 0.000 3.233 249 G HA2 0.391 4.359 3.960 0.012 0.000 0.234 249 G HA3 0.391 4.359 3.960 0.012 0.000 0.234 249 G C 1.265 176.175 174.900 0.017 0.000 1.137 249 G CA -0.189 44.927 45.100 0.026 0.000 0.763 249 G HN 0.368 nan 8.290 nan 0.000 0.549 250 L N -0.431 120.787 121.223 -0.008 0.000 2.228 250 L HA 0.199 4.546 4.340 0.012 0.000 0.196 250 L C 2.069 178.955 176.870 0.027 0.000 1.162 250 L CA 0.345 55.179 54.840 -0.010 0.000 0.801 250 L CB -0.421 41.604 42.059 -0.057 0.000 0.983 250 L HN -0.086 nan 8.230 nan 0.000 0.471 251 D N 0.252 120.666 120.400 0.023 0.000 2.178 251 D HA -0.157 4.490 4.640 0.012 0.000 0.201 251 D C 2.160 178.503 176.300 0.071 0.000 0.980 251 D CA 1.904 55.925 54.000 0.036 0.000 0.842 251 D CB -0.305 40.511 40.800 0.027 0.000 0.948 251 D HN 0.439 nan 8.370 nan 0.000 0.472 252 T N -1.187 113.419 114.554 0.086 0.000 2.652 252 T HA -0.137 4.221 4.350 0.012 0.000 0.267 252 T C 2.216 177.027 174.700 0.185 0.000 1.039 252 T CA 1.257 63.429 62.100 0.121 0.000 1.153 252 T CB -0.846 68.086 68.868 0.107 0.000 0.863 252 T HN -0.001 nan 8.240 nan 0.000 0.428 253 V N 1.328 121.350 119.914 0.179 0.000 2.358 253 V HA -0.106 4.021 4.120 0.012 0.000 0.246 253 V C 2.963 179.207 176.094 0.251 0.000 1.047 253 V CA 1.168 63.619 62.300 0.252 0.000 1.035 253 V CB -0.697 31.255 31.823 0.216 0.000 0.658 253 V HN 0.379 nan 8.190 nan 0.000 0.452 254 V N 0.874 120.881 119.914 0.156 0.000 2.287 254 V HA -0.331 3.797 4.120 0.012 0.000 0.248 254 V C 2.075 178.214 176.094 0.076 0.000 1.053 254 V CA 2.770 65.133 62.300 0.105 0.000 1.027 254 V CB -0.977 30.869 31.823 0.037 0.000 0.646 254 V HN 0.637 nan 8.190 nan 0.000 0.447 255 N N -0.886 117.845 118.700 0.050 0.000 2.250 255 N HA -0.094 4.653 4.740 0.012 0.000 0.181 255 N C 1.701 177.185 175.510 -0.043 0.000 1.017 255 N CA 1.101 54.094 53.050 -0.095 0.000 0.866 255 N CB -0.217 38.233 38.487 -0.062 0.000 0.985 255 N HN 0.475 nan 8.380 nan 0.000 0.429 256 F N 1.731 121.741 119.950 0.100 0.000 2.113 256 F HA -0.010 4.525 4.527 0.012 0.000 0.297 256 F C 1.733 177.616 175.800 0.138 0.000 1.103 256 F CA 1.104 59.221 58.000 0.195 0.000 1.248 256 F CB -0.284 38.801 39.000 0.141 0.000 0.999 256 F HN -0.048 nan 8.300 nan 0.000 0.475 257 L N -0.578 120.692 121.223 0.079 0.000 2.079 257 L HA -0.268 4.079 4.340 0.012 0.000 0.210 257 L C 2.504 179.307 176.870 -0.113 0.000 1.081 257 L CA 1.559 56.419 54.840 0.035 0.000 0.752 257 L CB -0.938 41.347 42.059 0.377 0.000 0.896 257 L HN 0.125 nan 8.230 nan 0.000 0.433 258 S N -0.426 115.253 115.700 -0.035 0.000 2.368 258 S HA -0.116 4.361 4.470 0.012 0.000 0.224 258 S C 1.748 176.118 174.600 -0.384 0.000 1.029 258 S CA 1.175 59.284 58.200 -0.151 0.000 0.988 258 S CB -0.340 62.776 63.200 -0.140 0.000 0.838 258 S HN 0.217 nan 8.310 nan 0.000 0.462 259 F N 2.325 122.036 119.950 -0.399 0.000 2.134 259 F HA -0.099 4.435 4.527 0.012 0.000 0.299 259 F C 2.776 178.046 175.800 -0.884 0.000 1.097 259 F CA 0.944 58.565 58.000 -0.633 0.000 1.264 259 F CB -1.028 37.588 39.000 -0.640 0.000 1.001 259 F HN 0.097 nan 8.300 nan 0.000 0.479 260 S N -0.353 114.953 115.700 -0.656 0.000 2.368 260 S HA -0.173 4.304 4.470 0.012 0.000 0.225 260 S C 2.085 176.467 174.600 -0.363 0.000 1.030 260 S CA 1.185 59.065 58.200 -0.534 0.000 0.999 260 S CB -0.246 62.642 63.200 -0.520 0.000 0.844 260 S HN 0.208 nan 8.310 nan 0.000 0.459 261 M N 1.173 120.458 119.600 -0.524 0.000 2.254 261 M HA 0.026 4.513 4.480 0.012 0.000 0.265 261 M C 2.181 178.280 176.300 -0.336 0.000 1.066 261 M CA 1.008 55.942 55.300 -0.611 0.000 1.123 261 M CB -1.121 30.634 32.600 -1.409 0.000 1.388 261 M HN 0.435 nan 8.290 nan 0.000 0.425 262 E N 0.076 120.100 120.200 -0.293 0.000 2.031 262 E HA -0.238 4.120 4.350 0.012 0.000 0.193 262 E C 1.980 178.513 176.600 -0.112 0.000 0.994 262 E CA 1.287 57.599 56.400 -0.147 0.000 0.800 262 E CB -0.197 29.458 29.700 -0.075 0.000 0.752 262 E HN 0.348 nan 8.360 nan 0.000 0.447 263 F N 1.421 121.198 119.950 -0.287 0.000 2.095 263 F HA -0.185 4.349 4.527 0.013 0.000 0.298 263 F C 1.990 177.724 175.800 -0.110 0.000 1.104 263 F CA 1.457 59.348 58.000 -0.181 0.000 1.232 263 F CB -0.233 38.646 39.000 -0.202 0.000 0.987 263 F HN 0.012 nan 8.300 nan 0.000 0.475 264 L N -0.233 120.899 121.223 -0.152 0.000 2.093 264 L HA -0.155 4.193 4.340 0.012 0.000 0.208 264 L C 2.773 179.391 176.870 -0.419 0.000 1.085 264 L CA 0.995 55.711 54.840 -0.206 0.000 0.755 264 L CB -1.139 40.948 42.059 0.047 0.000 0.904 264 L HN 0.261 nan 8.230 nan 0.000 0.435 265 A N 0.119 122.753 122.820 -0.309 0.000 1.933 265 A HA -0.195 4.132 4.320 0.012 0.000 0.218 265 A C 2.233 179.623 177.584 -0.323 0.000 1.175 265 A CA 1.548 53.362 52.037 -0.371 0.000 0.628 265 A CB -0.237 18.743 19.000 -0.033 0.000 0.814 265 A HN 0.329 nan 8.150 nan 0.000 0.444 266 K N -0.918 119.302 120.400 -0.300 0.000 2.393 266 K HA 0.136 4.463 4.320 0.012 0.000 0.193 266 K C 0.226 176.630 176.600 -0.327 0.000 1.026 266 K CA 0.449 56.583 56.287 -0.254 0.000 1.064 266 K CB 0.301 32.692 32.500 -0.181 0.000 0.833 266 K HN 0.233 nan 8.250 nan 0.000 0.521 267 S N 1.183 116.599 115.700 -0.473 0.000 2.158 267 S HA 0.260 4.737 4.470 0.012 0.000 0.160 267 S C -2.317 172.136 174.600 -0.246 0.000 1.693 267 S CA -1.692 56.264 58.200 -0.405 0.000 1.251 267 S CB 0.659 63.406 63.200 -0.756 0.000 1.153 267 S HN -0.101 nan 8.310 nan 0.000 0.439 268 P HA -0.112 nan 4.420 nan 0.000 0.219 268 P C 1.033 178.280 177.300 -0.089 0.000 1.146 268 P CA 1.092 64.098 63.100 -0.158 0.000 0.808 268 P CB 0.218 31.841 31.700 -0.128 0.000 0.779 269 E N -1.599 118.554 120.200 -0.077 0.000 2.107 269 E HA -0.175 4.183 4.350 0.012 0.000 0.191 269 E C 1.869 178.418 176.600 -0.084 0.000 0.982 269 E CA 0.921 57.268 56.400 -0.089 0.000 0.809 269 E CB -0.567 29.055 29.700 -0.130 0.000 0.756 269 E HN 0.475 nan 8.360 nan 0.000 0.459 270 H N 0.501 119.557 119.070 -0.022 0.000 2.357 270 H HA -0.009 4.554 4.556 0.011 0.000 0.301 270 H C 2.168 177.631 175.328 0.226 0.000 1.082 270 H CA 1.389 57.520 56.048 0.137 0.000 1.342 270 H CB 0.025 29.908 29.762 0.202 0.000 1.389 270 H HN -0.046 nan 8.280 nan 0.000 0.511 271 R N 0.390 120.994 120.500 0.174 0.000 2.083 271 R HA -0.226 4.121 4.340 0.012 0.000 0.237 271 R C 2.246 178.602 176.300 0.094 0.000 1.137 271 R CA 1.792 57.948 56.100 0.094 0.000 0.951 271 R CB -0.042 30.200 30.300 -0.096 0.000 0.851 271 R HN 0.215 nan 8.270 nan 0.000 0.434 272 Q N 0.707 120.535 119.800 0.047 0.000 2.135 272 Q HA -0.219 4.128 4.340 0.012 0.000 0.204 272 Q C 1.712 177.753 176.000 0.067 0.000 0.981 272 Q CA 2.171 57.996 55.803 0.038 0.000 0.856 272 Q CB -0.106 28.634 28.738 0.003 0.000 0.902 272 Q HN 0.448 nan 8.270 nan 0.000 0.425 273 E N -0.664 119.597 120.200 0.102 0.000 2.085 273 E HA -0.189 4.168 4.350 0.012 0.000 0.194 273 E C 1.707 178.393 176.600 0.143 0.000 0.994 273 E CA 1.304 57.784 56.400 0.134 0.000 0.801 273 E CB -0.146 29.677 29.700 0.205 0.000 0.743 273 E HN 0.469 nan 8.360 nan 0.000 0.453 274 L N 0.349 121.670 121.223 0.163 0.000 2.179 274 L HA -0.066 4.281 4.340 0.012 0.000 0.208 274 L C 2.486 179.397 176.870 0.068 0.000 1.096 274 L CA 0.406 55.299 54.840 0.090 0.000 0.779 274 L CB -0.253 41.842 42.059 0.060 0.000 0.922 274 L HN 0.217 nan 8.230 nan 0.000 0.443 275 I N 0.071 120.686 120.570 0.076 0.000 2.226 275 I HA -0.263 3.915 4.170 0.012 0.000 0.245 275 I C 2.391 178.535 176.117 0.045 0.000 1.100 275 I CA 1.465 62.799 61.300 0.058 0.000 1.374 275 I CB -0.095 37.938 38.000 0.056 0.000 1.057 275 I HN 0.255 nan 8.210 nan 0.000 0.413 276 E N 0.410 120.638 120.200 0.047 0.000 2.158 276 E HA -0.022 4.335 4.350 0.012 0.000 0.191 276 E C 0.441 177.064 176.600 0.038 0.000 0.982 276 E CA 0.582 57.004 56.400 0.038 0.000 0.823 276 E CB 0.277 29.998 29.700 0.035 0.000 0.766 276 E HN 0.366 nan 8.360 nan 0.000 0.468 277 R N 0.833 121.362 120.500 0.047 0.000 2.651 277 R HA 0.166 4.514 4.340 0.012 0.000 0.282 277 R C -2.274 174.048 176.300 0.036 0.000 1.565 277 R CA -1.224 54.902 56.100 0.044 0.000 1.661 277 R CB 0.919 31.253 30.300 0.056 0.000 1.189 277 R HN 0.043 nan 8.270 nan 0.000 0.621 278 P HA -0.198 nan 4.420 nan 0.000 0.222 278 P C 1.100 178.410 177.300 0.016 0.000 1.147 278 P CA 1.099 64.212 63.100 0.022 0.000 0.790 278 P CB 0.314 32.028 31.700 0.024 0.000 0.780 279 E N 1.213 121.425 120.200 0.022 0.000 2.333 279 E HA -0.187 4.170 4.350 0.012 0.000 0.198 279 E C 1.548 178.159 176.600 0.019 0.000 1.007 279 E CA 0.931 57.345 56.400 0.022 0.000 0.845 279 E CB -0.665 29.051 29.700 0.026 0.000 0.766 279 E HN 0.313 nan 8.360 nan 0.000 0.507 280 R N 0.113 120.622 120.500 0.014 0.000 2.297 280 R HA 0.236 4.583 4.340 0.012 0.000 0.197 280 R C 2.360 178.622 176.300 -0.062 0.000 0.943 280 R CA 0.234 56.336 56.100 0.004 0.000 1.038 280 R CB -0.137 30.184 30.300 0.036 0.000 0.957 280 R HN 0.217 nan 8.270 nan 0.000 0.484 281 I N 1.449 121.983 120.570 -0.059 0.000 2.208 281 I HA -0.198 3.979 4.170 0.012 0.000 0.245 281 I C -0.812 175.272 176.117 -0.055 0.000 1.097 281 I CA 1.343 62.588 61.300 -0.092 0.000 1.363 281 I CB -0.900 37.077 38.000 -0.039 0.000 1.051 281 I HN 0.027 nan 8.210 nan 0.000 0.413 282 P HA -0.160 nan 4.420 nan 0.000 0.217 282 P C 1.465 178.784 177.300 0.032 0.000 1.150 282 P CA 1.719 64.836 63.100 0.029 0.000 0.832 282 P CB -0.000 31.725 31.700 0.043 0.000 0.787 283 A N -0.065 122.767 122.820 0.020 0.000 1.930 283 A HA -0.068 4.260 4.320 0.012 0.000 0.217 283 A C 2.297 179.899 177.584 0.030 0.000 1.175 283 A CA 1.891 53.958 52.037 0.048 0.000 0.627 283 A CB -1.560 17.482 19.000 0.069 0.000 0.815 283 A HN 0.179 nan 8.150 nan 0.000 0.443 284 A N -0.876 121.860 122.820 -0.141 0.000 1.902 284 A HA -0.223 4.105 4.320 0.012 0.000 0.217 284 A C 2.400 179.915 177.584 -0.115 0.000 1.181 284 A CA 1.711 53.478 52.037 -0.450 0.000 0.623 284 A CB -1.480 16.797 19.000 -1.206 0.000 0.818 284 A HN 0.904 nan 8.150 nan 0.000 0.443 285 C N -0.583 118.699 119.300 -0.029 0.000 2.413 285 C HA -0.141 4.327 4.460 0.012 0.000 0.276 285 C C 2.574 177.643 174.990 0.131 0.000 1.248 285 C CA 1.902 60.984 59.018 0.107 0.000 1.742 285 C CB -1.070 26.742 27.740 0.120 0.000 2.017 285 C HN 0.680 nan 8.230 nan 0.000 0.481 286 E N 0.675 120.940 120.200 0.108 0.000 2.077 286 E HA -0.182 4.175 4.350 0.012 0.000 0.193 286 E C 2.063 178.711 176.600 0.081 0.000 0.989 286 E CA 1.847 58.314 56.400 0.112 0.000 0.800 286 E CB -0.389 29.404 29.700 0.156 0.000 0.746 286 E HN 0.780 nan 8.360 nan 0.000 0.452 287 E N -0.033 120.248 120.200 0.134 0.000 2.106 287 E HA -0.121 4.237 4.350 0.012 0.000 0.192 287 E C 1.918 178.569 176.600 0.086 0.000 0.984 287 E CA 1.129 57.610 56.400 0.135 0.000 0.806 287 E CB -0.309 29.560 29.700 0.282 0.000 0.750 287 E HN 0.343 nan 8.360 nan 0.000 0.458 288 L N -0.064 121.279 121.223 0.200 0.000 2.093 288 L HA -0.130 4.218 4.340 0.012 0.000 0.208 288 L C 2.542 179.644 176.870 0.386 0.000 1.085 288 L CA 0.836 55.860 54.840 0.307 0.000 0.755 288 L CB -0.435 41.864 42.059 0.400 0.000 0.904 288 L HN 0.195 nan 8.230 nan 0.000 0.435 289 L N -0.465 120.868 121.223 0.184 0.000 2.079 289 L HA -0.240 4.107 4.340 0.012 0.000 0.210 289 L C 2.900 179.520 176.870 -0.416 0.000 1.081 289 L CA 1.264 55.913 54.840 -0.318 0.000 0.752 289 L CB -0.455 41.206 42.059 -0.664 0.000 0.896 289 L HN 0.272 nan 8.230 nan 0.000 0.433 290 R N 0.118 120.403 120.500 -0.357 0.000 2.062 290 R HA -0.199 4.148 4.340 0.012 0.000 0.231 290 R C 2.487 178.619 176.300 -0.280 0.000 1.136 290 R CA 1.512 57.440 56.100 -0.287 0.000 0.948 290 R CB -0.112 30.116 30.300 -0.120 0.000 0.845 290 R HN 0.070 nan 8.270 nan 0.000 0.430 291 R N -0.088 120.200 120.500 -0.353 0.000 2.092 291 R HA -0.065 4.282 4.340 0.012 0.000 0.231 291 R C 0.506 176.293 176.300 -0.855 0.000 1.119 291 R CA 1.478 57.170 56.100 -0.679 0.000 0.970 291 R CB -0.160 29.524 30.300 -1.026 0.000 0.864 291 R HN 0.224 nan 8.270 nan 0.000 0.440 292 F N 0.187 120.035 119.950 -0.171 0.000 2.908 292 F HA 0.438 4.972 4.527 0.012 0.000 0.328 292 F C 0.353 176.036 175.800 -0.195 0.000 1.211 292 F CA -0.601 57.227 58.000 -0.287 0.000 1.291 292 F CB -0.084 38.757 39.000 -0.265 0.000 0.962 292 F HN -0.153 nan 8.300 nan 0.000 0.505 293 S N 1.581 117.190 115.700 -0.152 0.000 2.563 293 S HA 0.266 4.743 4.470 0.012 0.000 0.284 293 S C 0.950 175.399 174.600 -0.252 0.000 1.331 293 S CA 0.062 58.131 58.200 -0.218 0.000 1.047 293 S CB 0.489 63.530 63.200 -0.266 0.000 0.859 293 S HN 0.573 nan 8.310 nan 0.000 0.514 294 L N 2.048 123.149 121.223 -0.204 0.000 3.699 294 L HA 0.561 4.909 4.340 0.012 0.000 0.344 294 L C -0.853 175.907 176.870 -0.183 0.000 1.196 294 L CA -0.490 54.250 54.840 -0.167 0.000 1.202 294 L CB 0.205 42.329 42.059 0.108 0.000 1.592 294 L HN 0.348 nan 8.230 nan 0.000 0.631 295 V N 2.076 121.878 119.914 -0.187 0.000 2.532 295 V HA 0.806 4.934 4.120 0.012 0.000 0.295 295 V C 0.361 176.343 176.094 -0.185 0.000 1.041 295 V CA 0.121 62.340 62.300 -0.135 0.000 0.926 295 V CB 1.441 33.224 31.823 -0.066 0.000 0.992 295 V HN 0.336 nan 8.190 nan 0.000 0.457 296 A N 3.110 125.853 122.820 -0.127 0.000 2.702 296 A HA 0.630 4.957 4.320 0.012 0.000 0.305 296 A C -0.773 176.869 177.584 0.097 0.000 1.213 296 A CA -0.562 51.443 52.037 -0.054 0.000 0.745 296 A CB 0.328 19.227 19.000 -0.168 0.000 1.161 296 A HN 0.723 nan 8.150 nan 0.000 0.445 297 D N 0.404 120.901 120.400 0.161 0.000 2.478 297 D HA 0.774 5.421 4.640 0.012 0.000 0.263 297 D C 0.794 177.216 176.300 0.202 0.000 1.153 297 D CA 0.610 54.746 54.000 0.226 0.000 1.038 297 D CB 1.609 42.539 40.800 0.217 0.000 1.120 297 D HN 0.654 nan 8.370 nan 0.000 0.564 298 G N -1.087 107.796 108.800 0.137 0.000 2.827 298 G HA2 0.701 4.668 3.960 0.012 0.000 0.296 298 G HA3 0.701 4.668 3.960 0.012 0.000 0.296 298 G C -1.046 173.878 174.900 0.040 0.000 1.362 298 G CA -0.513 44.629 45.100 0.071 0.000 0.809 298 G HN 0.201 nan 8.290 nan 0.000 0.522 299 R N -1.355 119.173 120.500 0.047 0.000 2.795 299 R HA 0.600 4.947 4.340 0.012 0.000 0.268 299 R C -1.531 174.853 176.300 0.140 0.000 1.041 299 R CA -0.762 55.392 56.100 0.090 0.000 0.927 299 R CB 1.747 32.137 30.300 0.150 0.000 1.235 299 R HN 0.591 nan 8.270 nan 0.000 0.463 300 I N 1.366 122.022 120.570 0.143 0.000 2.545 300 I HA 0.287 4.465 4.170 0.012 0.000 0.292 300 I C -0.723 175.469 176.117 0.125 0.000 1.040 300 I CA -1.040 60.347 61.300 0.144 0.000 1.068 300 I CB 1.412 39.467 38.000 0.091 0.000 1.251 300 I HN 0.237 nan 8.210 nan 0.000 0.424 301 L N 6.329 127.627 121.223 0.125 0.000 2.455 301 L HA 0.110 4.457 4.340 0.012 0.000 0.272 301 L C 1.610 178.477 176.870 -0.006 0.000 1.174 301 L CA 0.517 55.359 54.840 0.005 0.000 0.869 301 L CB 1.070 43.155 42.059 0.043 0.000 1.130 301 L HN 0.809 nan 8.230 nan 0.000 0.474 302 T N -1.608 112.908 114.554 -0.064 0.000 3.067 302 T HA 0.058 4.415 4.350 0.012 0.000 0.261 302 T C 0.708 175.391 174.700 -0.028 0.000 1.110 302 T CA 0.463 62.538 62.100 -0.041 0.000 1.113 302 T CB 0.145 68.967 68.868 -0.076 0.000 0.917 302 T HN 0.638 nan 8.240 nan 0.000 0.499 303 S N -0.243 115.443 115.700 -0.023 0.000 2.587 303 S HA 0.450 4.927 4.470 0.012 0.000 0.269 303 S C -2.034 172.571 174.600 0.009 0.000 1.154 303 S CA -1.154 57.046 58.200 0.001 0.000 0.824 303 S CB 1.005 64.214 63.200 0.015 0.000 1.118 303 S HN 0.053 nan 8.310 nan 0.000 0.462 304 D N 1.216 121.623 120.400 0.013 0.000 2.488 304 D HA 0.402 5.049 4.640 0.012 0.000 0.238 304 D C -0.837 175.499 176.300 0.060 0.000 1.138 304 D CA 1.177 55.186 54.000 0.016 0.000 0.873 304 D CB -0.036 40.764 40.800 0.000 0.000 1.183 304 D HN 0.537 nan 8.370 nan 0.000 0.458 305 Y N 0.674 120.876 120.300 -0.163 0.000 2.390 305 Y HA 0.171 4.728 4.550 0.012 0.000 0.324 305 Y C -1.150 174.653 175.900 -0.162 0.000 1.151 305 Y CA -1.036 56.902 58.100 -0.271 0.000 1.053 305 Y CB 1.243 39.332 38.460 -0.618 0.000 1.277 305 Y HN 0.342 nan 8.280 nan 0.000 0.432 306 E N 6.079 125.974 120.200 -0.508 0.000 2.167 306 E HA 0.355 4.712 4.350 0.012 0.000 0.284 306 E C -1.907 174.203 176.600 -0.818 0.000 1.016 306 E CA -0.470 55.640 56.400 -0.484 0.000 0.817 306 E CB 0.617 30.169 29.700 -0.246 0.000 1.080 306 E HN 0.449 nan 8.360 nan 0.000 0.397 307 F N 5.715 125.233 119.950 -0.719 0.000 2.496 307 F HA 0.250 4.784 4.527 0.011 0.000 0.341 307 F C -0.484 175.210 175.800 -0.177 0.000 1.134 307 F CA -0.696 56.984 58.000 -0.532 0.000 0.968 307 F CB 0.432 39.251 39.000 -0.301 0.000 1.205 307 F HN 0.663 nan 8.300 nan 0.000 0.436 308 H N 4.250 123.008 119.070 -0.520 0.000 2.604 308 H HA -0.189 4.374 4.556 0.012 0.000 0.321 308 H C 1.416 176.581 175.328 -0.272 0.000 1.132 308 H CA 1.164 56.945 56.048 -0.445 0.000 1.129 308 H CB -1.016 28.363 29.762 -0.639 0.000 1.526 308 H HN 1.199 nan 8.280 nan 0.000 0.415 309 G N -1.039 107.664 108.800 -0.162 0.000 2.184 309 G HA2 -0.311 3.657 3.960 0.012 0.000 0.264 309 G HA3 -0.311 3.657 3.960 0.012 0.000 0.264 309 G C 0.237 175.094 174.900 -0.072 0.000 0.975 309 G CA 0.331 45.374 45.100 -0.095 0.000 0.642 309 G HN 0.502 nan 8.290 nan 0.000 0.536 310 V N 0.503 120.348 119.914 -0.115 0.000 2.448 310 V HA 0.589 4.716 4.120 0.012 0.000 0.295 310 V C 0.263 176.268 176.094 -0.149 0.000 1.025 310 V CA -0.858 61.370 62.300 -0.120 0.000 0.859 310 V CB 1.843 33.539 31.823 -0.212 0.000 0.988 310 V HN 0.322 nan 8.190 nan 0.000 0.431 311 Q N 4.468 124.240 119.800 -0.046 0.000 2.323 311 Q HA 0.437 4.785 4.340 0.012 0.000 0.257 311 Q C -1.026 175.033 176.000 0.097 0.000 1.022 311 Q CA 0.352 56.160 55.803 0.008 0.000 0.919 311 Q CB 0.485 29.272 28.738 0.081 0.000 1.220 311 Q HN 0.672 nan 8.270 nan 0.000 0.427 312 L N 3.249 124.466 121.223 -0.011 0.000 2.325 312 L HA 0.542 4.889 4.340 0.012 0.000 0.279 312 L C 0.004 176.943 176.870 0.114 0.000 1.054 312 L CA -1.017 53.886 54.840 0.104 0.000 0.804 312 L CB 1.366 43.386 42.059 -0.064 0.000 1.200 312 L HN 0.415 nan 8.230 nan 0.000 0.436 313 K N 2.019 122.506 120.400 0.145 0.000 2.164 313 K HA 0.236 4.563 4.320 0.012 0.000 0.258 313 K C -0.462 176.163 176.600 0.042 0.000 0.951 313 K CA -0.698 55.548 56.287 -0.068 0.000 0.844 313 K CB 1.360 33.579 32.500 -0.469 0.000 1.099 313 K HN 0.336 nan 8.250 nan 0.000 0.435 314 K N 1.930 122.335 120.400 0.007 0.000 2.511 314 K HA -0.080 4.247 4.320 0.012 0.000 0.277 314 K C 0.505 177.141 176.600 0.059 0.000 1.025 314 K CA 1.690 57.993 56.287 0.027 0.000 1.112 314 K CB -0.241 32.264 32.500 0.008 0.000 0.859 314 K HN 0.806 nan 8.250 nan 0.000 0.485 315 G N 3.132 111.984 108.800 0.087 0.000 2.217 315 G HA2 -0.221 3.746 3.960 0.012 0.000 0.246 315 G HA3 -0.221 3.746 3.960 0.012 0.000 0.246 315 G C -0.339 174.673 174.900 0.185 0.000 0.990 315 G CA 0.161 45.328 45.100 0.112 0.000 0.627 315 G HN 0.738 nan 8.290 nan 0.000 0.522 316 D N 1.558 122.120 120.400 0.269 0.000 2.443 316 D HA 0.380 5.027 4.640 0.012 0.000 0.239 316 D C 0.896 177.429 176.300 0.388 0.000 1.136 316 D CA 0.528 54.791 54.000 0.439 0.000 0.879 316 D CB 0.540 41.788 40.800 0.745 0.000 1.195 316 D HN 0.513 nan 8.370 nan 0.000 0.443 317 Q N 0.829 120.838 119.800 0.348 0.000 2.230 317 Q HA 0.572 4.920 4.340 0.012 0.000 0.248 317 Q C -0.310 175.915 176.000 0.374 0.000 0.915 317 Q CA -0.539 55.426 55.803 0.270 0.000 0.900 317 Q CB 2.247 31.070 28.738 0.142 0.000 1.229 317 Q HN 0.470 nan 8.270 nan 0.000 0.439 318 I N 2.561 123.317 120.570 0.309 0.000 2.499 318 I HA 0.251 4.428 4.170 0.012 0.000 0.288 318 I C -1.577 174.635 176.117 0.158 0.000 1.048 318 I CA -1.078 60.421 61.300 0.331 0.000 1.062 318 I CB 1.191 39.384 38.000 0.322 0.000 1.238 318 I HN 0.493 nan 8.210 nan 0.000 0.426 319 L N 8.396 129.736 121.223 0.196 0.000 2.319 319 L HA 0.411 4.759 4.340 0.012 0.000 0.280 319 L C -1.155 175.773 176.870 0.096 0.000 1.099 319 L CA 0.286 55.202 54.840 0.126 0.000 0.828 319 L CB 0.701 42.870 42.059 0.183 0.000 1.150 319 L HN 0.544 nan 8.230 nan 0.000 0.442 320 L N 7.746 128.991 121.223 0.036 0.000 2.445 320 L HA 0.411 4.758 4.340 0.012 0.000 0.252 320 L C -2.250 174.701 176.870 0.136 0.000 1.105 320 L CA -1.658 53.149 54.840 -0.056 0.000 0.943 320 L CB 0.948 42.689 42.059 -0.531 0.000 1.277 320 L HN 0.484 nan 8.230 nan 0.000 0.465 321 P HA 0.154 nan 4.420 nan 0.000 0.275 321 P C 0.211 177.538 177.300 0.045 0.000 1.276 321 P CA -0.199 62.950 63.100 0.080 0.000 0.782 321 P CB 1.151 32.913 31.700 0.103 0.000 0.851 322 Q N 2.700 122.532 119.800 0.053 0.000 2.112 322 Q HA -0.220 4.127 4.340 0.012 0.000 0.206 322 Q C 1.912 177.861 176.000 -0.084 0.000 0.987 322 Q CA 1.821 57.629 55.803 0.008 0.000 0.858 322 Q CB -0.600 28.110 28.738 -0.047 0.000 0.905 322 Q HN 0.502 nan 8.270 nan 0.000 0.420 323 M N -0.276 119.212 119.600 -0.187 0.000 2.108 323 M HA -0.235 4.252 4.480 0.012 0.000 0.257 323 M C 1.442 177.636 176.300 -0.177 0.000 1.071 323 M CA 1.602 56.748 55.300 -0.256 0.000 1.093 323 M CB -0.047 32.275 32.600 -0.463 0.000 1.345 323 M HN 0.293 nan 8.290 nan 0.000 0.403 324 L N -0.713 120.442 121.223 -0.115 0.000 2.291 324 L HA -0.116 4.231 4.340 0.012 0.000 0.214 324 L C 2.358 179.188 176.870 -0.067 0.000 1.120 324 L CA 0.520 55.318 54.840 -0.070 0.000 0.799 324 L CB -0.475 41.571 42.059 -0.023 0.000 0.925 324 L HN 0.325 nan 8.230 nan 0.000 0.446 325 S N 0.466 116.133 115.700 -0.054 0.000 2.353 325 S HA -0.152 4.326 4.470 0.012 0.000 0.222 325 S C 2.000 176.567 174.600 -0.055 0.000 1.035 325 S CA 1.499 59.668 58.200 -0.052 0.000 1.025 325 S CB -0.620 62.555 63.200 -0.042 0.000 0.902 325 S HN 0.590 nan 8.310 nan 0.000 0.440 326 G N 0.924 109.697 108.800 -0.045 0.000 2.534 326 G HA2 -0.011 3.957 3.960 0.012 0.000 0.217 326 G HA3 -0.011 3.957 3.960 0.012 0.000 0.217 326 G C 1.146 175.993 174.900 -0.089 0.000 1.128 326 G CA 0.264 45.339 45.100 -0.041 0.000 0.784 326 G HN 0.444 nan 8.290 nan 0.000 0.542 327 L N 0.200 121.359 121.223 -0.106 0.000 2.509 327 L HA 0.155 4.502 4.340 0.012 0.000 0.222 327 L C 0.628 177.439 176.870 -0.099 0.000 1.123 327 L CA -0.252 54.517 54.840 -0.119 0.000 0.856 327 L CB -0.001 41.986 42.059 -0.120 0.000 0.985 327 L HN 0.033 nan 8.230 nan 0.000 0.456 328 D N 1.589 121.937 120.400 -0.087 0.000 2.371 328 D HA -0.076 4.571 4.640 0.012 0.000 0.256 328 D C 1.270 177.521 176.300 -0.082 0.000 1.193 328 D CA 0.047 53.998 54.000 -0.082 0.000 0.881 328 D CB 1.168 41.921 40.800 -0.078 0.000 1.143 328 D HN 0.366 nan 8.370 nan 0.000 0.473 329 E N 3.538 123.688 120.200 -0.084 0.000 2.333 329 E HA -0.189 4.168 4.350 0.012 0.000 0.198 329 E C 1.129 177.687 176.600 -0.069 0.000 1.007 329 E CA 0.669 57.019 56.400 -0.083 0.000 0.845 329 E CB 0.033 29.682 29.700 -0.086 0.000 0.766 329 E HN 0.415 nan 8.360 nan 0.000 0.507 330 R N 0.414 120.875 120.500 -0.066 0.000 2.235 330 R HA -0.005 4.342 4.340 0.012 0.000 0.213 330 R C 1.762 178.031 176.300 -0.053 0.000 1.059 330 R CA 1.279 57.344 56.100 -0.058 0.000 0.997 330 R CB 0.036 30.299 30.300 -0.062 0.000 0.884 330 R HN 0.369 nan 8.270 nan 0.000 0.462 331 E N -0.334 119.832 120.200 -0.057 0.000 2.244 331 E HA 0.105 4.463 4.350 0.012 0.000 0.196 331 E C -0.075 176.499 176.600 -0.044 0.000 0.939 331 E CA 0.318 56.688 56.400 -0.051 0.000 0.884 331 E CB 0.516 30.183 29.700 -0.055 0.000 0.850 331 E HN 0.212 nan 8.360 nan 0.000 0.481 332 N N 0.443 119.110 118.700 -0.054 0.000 2.454 332 N HA 0.298 5.045 4.740 0.012 0.000 0.291 332 N C -1.153 174.315 175.510 -0.070 0.000 1.079 332 N CA -0.175 52.843 53.050 -0.052 0.000 0.893 332 N CB 2.169 40.624 38.487 -0.054 0.000 1.512 332 N HN -0.031 nan 8.380 nan 0.000 0.497 333 A N 1.485 124.269 122.820 -0.060 0.000 2.462 333 A HA 0.510 4.837 4.320 0.012 0.000 0.243 333 A C 0.977 178.488 177.584 -0.121 0.000 1.076 333 A CA 0.467 52.458 52.037 -0.076 0.000 0.773 333 A CB -0.118 18.853 19.000 -0.048 0.000 1.010 333 A HN 1.220 nan 8.150 nan 0.000 0.493 334 A N 2.774 125.481 122.820 -0.188 0.000 2.519 334 A HA -0.084 4.243 4.320 0.012 0.000 0.297 334 A C -0.830 176.540 177.584 -0.356 0.000 1.472 334 A CA 0.634 52.435 52.037 -0.393 0.000 0.739 334 A CB -1.516 17.186 19.000 -0.497 0.000 1.096 334 A HN 0.752 nan 8.150 nan 0.000 0.414 335 P HA -0.139 nan 4.420 nan 0.000 0.223 335 P C 1.291 178.473 177.300 -0.196 0.000 1.151 335 P CA 0.957 63.948 63.100 -0.181 0.000 0.787 335 P CB -0.016 31.596 31.700 -0.147 0.000 0.788 336 M N -1.175 118.306 119.600 -0.199 0.000 2.558 336 M HA 0.018 4.505 4.480 0.012 0.000 0.255 336 M C 0.800 177.083 176.300 -0.029 0.000 1.113 336 M CA 0.418 55.639 55.300 -0.130 0.000 1.097 336 M CB -1.477 31.088 32.600 -0.057 0.000 1.426 336 M HN 0.124 nan 8.290 nan 0.000 0.488 337 H N -0.210 118.791 119.070 -0.115 0.000 2.722 337 H HA 0.274 4.837 4.556 0.011 0.000 0.328 337 H C -0.274 174.949 175.328 -0.174 0.000 1.067 337 H CA -0.806 55.185 56.048 -0.095 0.000 1.447 337 H CB 1.368 31.103 29.762 -0.045 0.000 1.469 337 H HN -0.173 nan 8.280 nan 0.000 0.544 338 V N 3.922 123.772 119.914 -0.107 0.000 2.406 338 V HA 0.035 4.162 4.120 0.012 0.000 0.272 338 V C 0.105 176.124 176.094 -0.125 0.000 1.043 338 V CA 0.017 62.137 62.300 -0.299 0.000 0.915 338 V CB 1.038 32.384 31.823 -0.795 0.000 0.988 338 V HN 0.798 nan 8.190 nan 0.000 0.466 339 D N 4.027 124.366 120.400 -0.103 0.000 2.476 339 D HA 0.319 4.967 4.640 0.012 0.000 0.251 339 D C 0.311 176.649 176.300 0.063 0.000 1.291 339 D CA -0.488 53.483 54.000 -0.048 0.000 0.939 339 D CB 1.317 42.131 40.800 0.024 0.000 1.221 339 D HN 0.246 nan 8.370 nan 0.000 0.567 340 F N 1.159 121.191 119.950 0.138 0.000 2.546 340 F HA -0.013 4.520 4.527 0.011 0.000 0.298 340 F C 2.260 178.108 175.800 0.079 0.000 1.120 340 F CA 0.385 58.451 58.000 0.110 0.000 1.456 340 F CB -0.326 38.757 39.000 0.137 0.000 1.088 340 F HN 0.234 nan 8.300 nan 0.000 0.572 341 S N -0.909 114.924 115.700 0.222 0.000 2.577 341 S HA 0.117 4.594 4.470 0.012 0.000 0.219 341 S C 0.709 175.370 174.600 0.102 0.000 0.962 341 S CA -0.421 57.864 58.200 0.142 0.000 0.921 341 S CB -0.173 63.090 63.200 0.104 0.000 0.789 341 S HN 0.146 nan 8.310 nan 0.000 0.497 342 R N 2.459 123.020 120.500 0.102 0.000 2.523 342 R HA -0.076 4.271 4.340 0.012 0.000 0.281 342 R C 1.774 178.114 176.300 0.067 0.000 0.969 342 R CA 0.159 56.303 56.100 0.072 0.000 1.093 342 R CB 0.219 30.559 30.300 0.066 0.000 0.917 342 R HN 0.482 nan 8.270 nan 0.000 0.408 343 Q N 2.932 122.762 119.800 0.050 0.000 2.230 343 Q HA -0.107 4.240 4.340 0.012 0.000 0.202 343 Q C -0.401 175.623 176.000 0.041 0.000 0.963 343 Q CA 1.388 57.218 55.803 0.044 0.000 0.866 343 Q CB 0.374 29.133 28.738 0.034 0.000 0.931 343 Q HN 0.388 nan 8.270 nan 0.000 0.452 344 K N 1.076 121.498 120.400 0.036 0.000 2.616 344 K HA 0.378 4.706 4.320 0.012 0.000 0.241 344 K C -1.730 174.890 176.600 0.035 0.000 0.961 344 K CA -0.417 55.888 56.287 0.030 0.000 0.942 344 K CB 2.577 35.086 32.500 0.016 0.000 1.153 344 K HN -0.118 nan 8.250 nan 0.000 0.452 345 V N 2.731 122.676 119.914 0.053 0.000 2.304 345 V HA 0.151 4.278 4.120 0.012 0.000 0.262 345 V C -0.196 175.938 176.094 0.067 0.000 1.061 345 V CA -0.445 61.903 62.300 0.078 0.000 0.872 345 V CB 0.828 32.728 31.823 0.129 0.000 1.077 345 V HN 0.653 nan 8.190 nan 0.000 0.480 346 S N 4.768 120.487 115.700 0.031 0.000 2.457 346 S HA 0.697 5.175 4.470 0.012 0.000 0.289 346 S C -0.385 174.229 174.600 0.022 0.000 1.163 346 S CA -0.462 57.725 58.200 -0.022 0.000 1.078 346 S CB 0.492 63.672 63.200 -0.034 0.000 0.987 346 S HN 1.075 nan 8.310 nan 0.000 0.482 347 H N -0.949 118.094 119.070 -0.046 0.000 2.967 347 H HA 0.593 5.157 4.556 0.012 0.000 0.318 347 H C -0.559 174.733 175.328 -0.060 0.000 1.375 347 H CA -0.879 55.125 56.048 -0.073 0.000 1.132 347 H CB 0.628 30.331 29.762 -0.098 0.000 1.848 347 H HN 0.331 nan 8.280 nan 0.000 0.524 348 T N -1.825 112.795 114.554 0.111 0.000 3.448 348 T HA 0.194 4.551 4.350 0.012 0.000 0.271 348 T C 0.293 175.052 174.700 0.099 0.000 1.002 348 T CA 0.026 62.174 62.100 0.080 0.000 0.995 348 T CB -0.376 68.503 68.868 0.018 0.000 1.153 348 T HN 0.629 nan 8.240 nan 0.000 0.510 349 T N 1.088 115.769 114.554 0.212 0.000 2.867 349 T HA 0.090 4.448 4.350 0.012 0.000 0.268 349 T C 0.566 175.049 174.700 -0.361 0.000 1.057 349 T CA 1.074 63.021 62.100 -0.255 0.000 1.136 349 T CB -0.355 68.096 68.868 -0.696 0.000 0.874 349 T HN 0.507 nan 8.240 nan 0.000 0.466 350 F N 1.204 121.171 119.950 0.028 0.000 2.732 350 F HA 0.443 4.976 4.527 0.010 0.000 0.303 350 F C 1.668 177.436 175.800 -0.054 0.000 1.110 350 F CA -0.107 57.873 58.000 -0.032 0.000 1.355 350 F CB -0.517 38.461 39.000 -0.036 0.000 1.081 350 F HN 0.292 nan 8.300 nan 0.000 0.565 351 G N -0.200 108.630 108.800 0.050 0.000 2.582 351 G HA2 -0.022 3.945 3.960 0.012 0.000 0.222 351 G HA3 -0.022 3.945 3.960 0.012 0.000 0.222 351 G C -1.520 173.390 174.900 0.017 0.000 1.311 351 G CA -0.603 44.444 45.100 -0.089 0.000 0.915 351 G HN 0.506 nan 8.290 nan 0.000 0.528 352 H N -1.113 117.826 119.070 -0.220 0.000 3.094 352 H HA 0.674 5.236 4.556 0.010 0.000 0.335 352 H C 0.462 175.780 175.328 -0.017 0.000 1.254 352 H CA 1.885 57.895 56.048 -0.064 0.000 1.240 352 H CB 1.256 31.038 29.762 0.034 0.000 1.936 352 H HN 2.713 nan 8.280 nan 0.000 0.536 353 G N 0.983 109.527 108.800 -0.427 0.000 2.615 353 G HA2 -0.214 3.753 3.960 0.012 0.000 0.218 353 G HA3 -0.214 3.753 3.960 0.012 0.000 0.218 353 G C 1.136 175.978 174.900 -0.098 0.000 1.339 353 G CA 0.501 45.497 45.100 -0.173 0.000 0.884 353 G HN 1.434 nan 8.290 nan 0.000 0.559 354 S N -1.231 114.435 115.700 -0.056 0.000 2.442 354 S HA -0.114 4.363 4.470 0.012 0.000 0.236 354 S C 1.388 175.835 174.600 -0.254 0.000 1.007 354 S CA 2.006 60.097 58.200 -0.182 0.000 0.965 354 S CB -0.284 62.739 63.200 -0.296 0.000 0.773 354 S HN 0.762 nan 8.310 nan 0.000 0.504 355 H N 0.326 119.368 119.070 -0.046 0.000 2.517 355 H HA 0.350 4.913 4.556 0.012 0.000 0.282 355 H C 0.330 175.626 175.328 -0.054 0.000 1.023 355 H CA -0.473 55.554 56.048 -0.035 0.000 1.169 355 H CB -0.112 29.641 29.762 -0.015 0.000 1.454 355 H HN 0.330 nan 8.280 nan 0.000 0.556 356 L N 1.802 123.026 121.223 0.001 0.000 2.678 356 L HA -0.124 4.223 4.340 0.012 0.000 0.285 356 L C 0.572 177.440 176.870 -0.004 0.000 1.233 356 L CA 0.282 55.114 54.840 -0.012 0.000 0.920 356 L CB 0.080 42.114 42.059 -0.041 0.000 1.176 356 L HN 0.305 nan 8.230 nan 0.000 0.495 357 C N 6.376 125.692 119.300 0.026 0.000 2.106 357 C HA -0.081 4.387 4.460 0.012 0.000 0.402 357 C C 1.966 176.894 174.990 -0.102 0.000 1.548 357 C CA -0.011 59.011 59.018 0.006 0.000 1.432 357 C CB -1.523 26.266 27.740 0.083 0.000 2.584 357 C HN 0.923 nan 8.230 nan 0.000 0.604 358 L N 5.129 126.323 121.223 -0.049 0.000 2.201 358 L HA 0.057 4.404 4.340 0.012 0.000 0.212 358 L C 2.461 179.266 176.870 -0.108 0.000 1.105 358 L CA 1.574 56.377 54.840 -0.061 0.000 0.775 358 L CB -0.415 41.645 42.059 0.002 0.000 0.913 358 L HN 0.947 nan 8.230 nan 0.000 0.440 359 G N -0.588 108.146 108.800 -0.110 0.000 3.088 359 G HA2 -0.071 3.897 3.960 0.012 0.000 0.212 359 G HA3 -0.071 3.897 3.960 0.012 0.000 0.212 359 G C 1.355 176.069 174.900 -0.310 0.000 1.173 359 G CA 0.109 45.134 45.100 -0.124 0.000 0.779 359 G HN 0.549 nan 8.290 nan 0.000 0.540 360 Q N -0.194 119.232 119.800 -0.623 0.000 2.135 360 Q HA -0.208 4.139 4.340 0.012 0.000 0.204 360 Q C 1.834 177.334 176.000 -0.834 0.000 0.981 360 Q CA 1.476 56.520 55.803 -1.264 0.000 0.856 360 Q CB -0.514 27.318 28.738 -1.510 0.000 0.902 360 Q HN 0.471 nan 8.270 nan 0.000 0.425 361 H N 0.309 119.195 119.070 -0.306 0.000 2.363 361 H HA -0.032 4.531 4.556 0.012 0.000 0.301 361 H C 2.169 177.441 175.328 -0.093 0.000 1.074 361 H CA 1.270 57.220 56.048 -0.164 0.000 1.354 361 H CB -0.227 29.471 29.762 -0.107 0.000 1.397 361 H HN 0.257 nan 8.280 nan 0.000 0.516 362 L N 1.297 122.527 121.223 0.012 0.000 2.046 362 L HA -0.063 4.284 4.340 0.012 0.000 0.208 362 L C 2.532 179.426 176.870 0.040 0.000 1.077 362 L CA 1.809 56.664 54.840 0.025 0.000 0.747 362 L CB -0.913 41.153 42.059 0.012 0.000 0.896 362 L HN 0.179 nan 8.230 nan 0.000 0.432 363 A N -0.384 122.440 122.820 0.006 0.000 1.877 363 A HA -0.231 4.097 4.320 0.012 0.000 0.216 363 A C 2.432 180.116 177.584 0.166 0.000 1.186 363 A CA 1.870 53.974 52.037 0.111 0.000 0.620 363 A CB -0.592 18.516 19.000 0.180 0.000 0.822 363 A HN 0.499 nan 8.150 nan 0.000 0.443 364 R N -1.356 119.210 120.500 0.110 0.000 2.091 364 R HA -0.146 4.201 4.340 0.012 0.000 0.238 364 R C 2.462 178.857 176.300 0.158 0.000 1.136 364 R CA 1.661 57.854 56.100 0.155 0.000 0.959 364 R CB -0.252 30.117 30.300 0.116 0.000 0.856 364 R HN 0.407 nan 8.270 nan 0.000 0.437 365 R N 1.281 121.861 120.500 0.133 0.000 2.075 365 R HA -0.086 4.261 4.340 0.012 0.000 0.232 365 R C 1.782 178.204 176.300 0.202 0.000 1.126 365 R CA 1.522 57.706 56.100 0.141 0.000 0.963 365 R CB -0.121 30.243 30.300 0.106 0.000 0.858 365 R HN 0.269 nan 8.270 nan 0.000 0.435 366 E N -0.311 120.030 120.200 0.235 0.000 2.085 366 E HA -0.207 4.150 4.350 0.012 0.000 0.194 366 E C 1.939 178.797 176.600 0.431 0.000 0.994 366 E CA 1.664 58.302 56.400 0.396 0.000 0.801 366 E CB -0.180 29.727 29.700 0.346 0.000 0.743 366 E HN 0.358 nan 8.360 nan 0.000 0.453 367 I N 0.678 121.452 120.570 0.339 0.000 2.202 367 I HA -0.260 3.918 4.170 0.012 0.000 0.242 367 I C 2.343 178.595 176.117 0.224 0.000 1.091 367 I CA 1.006 62.499 61.300 0.323 0.000 1.368 367 I CB -0.151 38.070 38.000 0.369 0.000 1.058 367 I HN 0.072 nan 8.210 nan 0.000 0.410 368 I N -0.173 120.511 120.570 0.190 0.000 2.252 368 I HA -0.242 3.935 4.170 0.012 0.000 0.245 368 I C 2.506 178.697 176.117 0.123 0.000 1.102 368 I CA 1.086 62.464 61.300 0.130 0.000 1.385 368 I CB -0.284 37.783 38.000 0.111 0.000 1.064 368 I HN 0.004 nan 8.210 nan 0.000 0.414 369 V N 0.467 120.478 119.914 0.161 0.000 2.407 369 V HA -0.296 3.832 4.120 0.012 0.000 0.248 369 V C 2.488 178.657 176.094 0.125 0.000 1.055 369 V CA 2.446 64.839 62.300 0.156 0.000 1.049 369 V CB -0.828 31.128 31.823 0.222 0.000 0.662 369 V HN 0.479 nan 8.190 nan 0.000 0.455 370 T N 0.276 114.909 114.554 0.132 0.000 2.737 370 T HA -0.099 4.258 4.350 0.012 0.000 0.265 370 T C 1.859 176.565 174.700 0.009 0.000 1.038 370 T CA 1.503 63.618 62.100 0.026 0.000 1.144 370 T CB -0.248 68.639 68.868 0.033 0.000 0.866 370 T HN 0.303 nan 8.240 nan 0.000 0.434 371 L N 0.402 121.644 121.223 0.032 0.000 2.056 371 L HA -0.067 4.280 4.340 0.012 0.000 0.207 371 L C 2.706 179.607 176.870 0.052 0.000 1.078 371 L CA 1.314 56.164 54.840 0.017 0.000 0.749 371 L CB -0.472 41.594 42.059 0.012 0.000 0.901 371 L HN 0.200 nan 8.230 nan 0.000 0.433 372 K N -0.095 120.335 120.400 0.051 0.000 2.026 372 K HA -0.238 4.090 4.320 0.012 0.000 0.208 372 K C 2.103 178.725 176.600 0.037 0.000 1.048 372 K CA 1.623 57.937 56.287 0.045 0.000 0.929 372 K CB -0.054 32.474 32.500 0.046 0.000 0.713 372 K HN 0.102 nan 8.250 nan 0.000 0.439 373 E N 0.413 120.634 120.200 0.036 0.000 2.072 373 E HA -0.162 4.195 4.350 0.012 0.000 0.190 373 E C 1.600 178.175 176.600 -0.042 0.000 0.982 373 E CA 0.899 57.299 56.400 0.000 0.000 0.803 373 E CB -0.169 29.538 29.700 0.013 0.000 0.755 373 E HN 0.363 nan 8.360 nan 0.000 0.453 374 W N 0.737 121.912 121.300 -0.208 0.000 2.358 374 W HA -0.127 4.540 4.660 0.011 0.000 0.303 374 W C 1.519 177.903 176.519 -0.226 0.000 1.208 374 W CA 1.136 58.296 57.345 -0.308 0.000 1.274 374 W CB -0.356 28.836 29.460 -0.447 0.000 1.138 374 W HN 0.134 nan 8.180 nan 0.000 0.515 375 L N 0.595 121.911 121.223 0.156 0.000 2.217 375 L HA -0.197 4.151 4.340 0.012 0.000 0.211 375 L C 2.546 179.437 176.870 0.036 0.000 1.107 375 L CA 1.797 56.727 54.840 0.150 0.000 0.783 375 L CB -0.904 41.242 42.059 0.145 0.000 0.919 375 L HN -0.037 nan 8.230 nan 0.000 0.442 376 T N -3.704 110.840 114.554 -0.017 0.000 2.978 376 T HA -0.012 4.346 4.350 0.012 0.000 0.262 376 T C 2.004 176.646 174.700 -0.097 0.000 1.063 376 T CA 0.185 62.262 62.100 -0.039 0.000 1.140 376 T CB 0.018 68.870 68.868 -0.027 0.000 0.886 376 T HN 0.157 nan 8.240 nan 0.000 0.470 377 R N 0.950 121.335 120.500 -0.192 0.000 2.128 377 R HA 0.393 4.741 4.340 0.012 0.000 0.211 377 R C 0.797 176.881 176.300 -0.360 0.000 1.067 377 R CA 0.546 56.485 56.100 -0.269 0.000 1.010 377 R CB 0.001 30.096 30.300 -0.342 0.000 0.922 377 R HN 0.440 nan 8.270 nan 0.000 0.457 378 I N 2.953 123.210 120.570 -0.521 0.000 2.862 378 I HA 0.170 4.348 4.170 0.012 0.000 0.285 378 I C -1.842 174.201 176.117 -0.123 0.000 1.339 378 I CA -1.474 59.480 61.300 -0.576 0.000 1.002 378 I CB 2.107 39.284 38.000 -1.371 0.000 1.618 378 I HN -0.169 nan 8.210 nan 0.000 0.593 379 P HA -0.003 nan 4.420 nan 0.000 0.222 379 P C -0.193 177.249 177.300 0.237 0.000 1.153 379 P CA 1.050 64.249 63.100 0.165 0.000 0.798 379 P CB 0.209 31.951 31.700 0.071 0.000 0.796 380 D N 0.370 120.900 120.400 0.217 0.000 2.440 380 D HA 0.454 5.101 4.640 0.012 0.000 0.239 380 D C -0.481 176.017 176.300 0.330 0.000 1.084 380 D CA -0.256 53.837 54.000 0.154 0.000 0.843 380 D CB 0.519 41.378 40.800 0.100 0.000 1.097 380 D HN 0.046 nan 8.370 nan 0.000 0.531 381 F N -0.630 119.400 119.950 0.133 0.000 2.668 381 F HA 0.831 5.364 4.527 0.011 0.000 0.309 381 F C -0.791 175.088 175.800 0.132 0.000 1.117 381 F CA -0.901 57.233 58.000 0.223 0.000 0.951 381 F CB 1.250 40.418 39.000 0.279 0.000 1.323 381 F HN 0.088 nan 8.300 nan 0.000 0.451 382 S N 1.419 117.272 115.700 0.256 0.000 2.661 382 S HA 0.635 5.113 4.470 0.012 0.000 0.285 382 S C -0.948 173.751 174.600 0.165 0.000 1.138 382 S CA -0.836 57.416 58.200 0.086 0.000 0.855 382 S CB 1.754 64.982 63.200 0.046 0.000 1.136 382 S HN 0.603 nan 8.310 nan 0.000 0.484 383 I N 2.093 122.709 120.570 0.076 0.000 2.710 383 I HA 0.136 4.313 4.170 0.012 0.000 0.286 383 I C 1.076 177.239 176.117 0.076 0.000 1.181 383 I CA -0.221 61.125 61.300 0.077 0.000 1.430 383 I CB -0.311 37.707 38.000 0.029 0.000 1.367 383 I HN 0.818 nan 8.210 nan 0.000 0.577 384 A N 8.874 131.742 122.820 0.081 0.000 2.567 384 A HA 0.207 4.534 4.320 0.012 0.000 0.240 384 A C -2.038 175.566 177.584 0.032 0.000 1.053 384 A CA -0.672 51.398 52.037 0.054 0.000 0.755 384 A CB -0.970 18.057 19.000 0.045 0.000 0.978 384 A HN 0.518 nan 8.150 nan 0.000 0.507 385 P HA 0.184 nan 4.420 nan 0.000 0.261 385 P C 1.192 178.499 177.300 0.010 0.000 1.173 385 P CA 1.944 65.052 63.100 0.013 0.000 0.760 385 P CB 0.487 32.191 31.700 0.007 0.000 0.783 386 G N 1.966 110.771 108.800 0.008 0.000 2.253 386 G HA2 -0.244 3.723 3.960 0.012 0.000 0.251 386 G HA3 -0.244 3.723 3.960 0.012 0.000 0.251 386 G C 0.468 175.373 174.900 0.009 0.000 0.998 386 G CA 0.055 45.159 45.100 0.007 0.000 0.621 386 G HN 0.872 nan 8.290 nan 0.000 0.524 387 A N 0.542 123.370 122.820 0.013 0.000 2.440 387 A HA 0.619 4.947 4.320 0.012 0.000 0.251 387 A C 0.356 177.946 177.584 0.011 0.000 1.089 387 A CA 0.339 52.385 52.037 0.016 0.000 0.779 387 A CB 0.355 19.370 19.000 0.026 0.000 1.022 387 A HN 0.363 nan 8.150 nan 0.000 0.492 388 Q N 2.253 122.057 119.800 0.008 0.000 2.341 388 Q HA 0.323 4.670 4.340 0.012 0.000 0.268 388 Q C -0.672 175.327 176.000 -0.003 0.000 1.013 388 Q CA -0.617 55.186 55.803 -0.001 0.000 0.798 388 Q CB 1.658 30.394 28.738 -0.003 0.000 1.253 388 Q HN 0.615 nan 8.270 nan 0.000 0.457 389 I N 2.872 123.434 120.570 -0.013 0.000 2.471 389 I HA 0.064 4.241 4.170 0.012 0.000 0.286 389 I C 0.512 176.599 176.117 -0.051 0.000 1.079 389 I CA 0.015 61.309 61.300 -0.009 0.000 1.398 389 I CB 0.252 38.256 38.000 0.008 0.000 1.403 389 I HN 0.319 nan 8.210 nan 0.000 0.530 390 Q N 6.167 125.973 119.800 0.009 0.000 2.293 390 Q HA 0.426 4.774 4.340 0.012 0.000 0.261 390 Q C -0.464 175.632 176.000 0.159 0.000 0.960 390 Q CA -0.418 55.401 55.803 0.027 0.000 0.882 390 Q CB 1.792 30.557 28.738 0.046 0.000 1.275 390 Q HN 0.566 nan 8.270 nan 0.000 0.445 391 H N 0.681 119.814 119.070 0.104 0.000 2.508 391 H HA 0.472 5.035 4.556 0.012 0.000 0.344 391 H C -0.044 175.366 175.328 0.137 0.000 1.192 391 H CA -0.830 55.306 56.048 0.147 0.000 1.290 391 H CB 1.625 31.549 29.762 0.270 0.000 1.571 391 H HN 0.405 nan 8.280 nan 0.000 0.555 392 K N 0.148 120.714 120.400 0.276 0.000 2.385 392 K HA 0.581 4.908 4.320 0.012 0.000 0.248 392 K C -1.138 175.614 176.600 0.253 0.000 0.955 392 K CA -0.979 55.435 56.287 0.211 0.000 0.816 392 K CB 2.472 35.056 32.500 0.140 0.000 1.250 392 K HN 0.362 nan 8.250 nan 0.000 0.434 393 S N 0.125 115.977 115.700 0.254 0.000 2.513 393 S HA 0.879 5.356 4.470 0.012 0.000 0.299 393 S C -0.537 174.218 174.600 0.258 0.000 1.087 393 S CA 0.163 58.556 58.200 0.323 0.000 1.012 393 S CB 1.383 64.818 63.200 0.392 0.000 1.044 393 S HN 1.012 nan 8.310 nan 0.000 0.485 394 G N 2.654 111.583 108.800 0.216 0.000 2.393 394 G HA2 0.234 4.201 3.960 0.012 0.000 0.264 394 G HA3 0.234 4.201 3.960 0.012 0.000 0.264 394 G C 0.227 175.135 174.900 0.014 0.000 1.221 394 G CA -0.313 44.826 45.100 0.066 0.000 0.912 394 G HN 0.610 nan 8.290 nan 0.000 0.483 395 I N -0.020 120.564 120.570 0.024 0.000 2.353 395 I HA 0.052 4.230 4.170 0.012 0.000 0.248 395 I C 0.427 176.534 176.117 -0.016 0.000 1.119 395 I CA 1.063 62.359 61.300 -0.007 0.000 1.417 395 I CB 0.025 37.985 38.000 -0.067 0.000 1.078 395 I HN -0.015 nan 8.210 nan 0.000 0.421 396 V N 1.177 121.098 119.914 0.011 0.000 2.325 396 V HA 0.236 4.363 4.120 0.012 0.000 0.280 396 V C 0.049 176.182 176.094 0.066 0.000 1.016 396 V CA -0.519 61.795 62.300 0.023 0.000 0.818 396 V CB 1.146 32.990 31.823 0.035 0.000 1.019 396 V HN 0.096 nan 8.190 nan 0.000 0.434 397 S N 2.864 118.603 115.700 0.065 0.000 2.593 397 S HA 0.774 5.251 4.470 0.012 0.000 0.269 397 S C 0.605 175.360 174.600 0.258 0.000 1.334 397 S CA 0.332 58.629 58.200 0.161 0.000 1.015 397 S CB 1.487 64.752 63.200 0.108 0.000 0.912 397 S HN 1.102 nan 8.310 nan 0.000 0.541 398 G N -0.181 108.741 108.800 0.204 0.000 2.634 398 G HA2 0.541 4.509 3.960 0.012 0.000 0.309 398 G HA3 0.541 4.509 3.960 0.012 0.000 0.309 398 G C -1.883 172.809 174.900 -0.348 0.000 1.299 398 G CA -0.513 44.489 45.100 -0.163 0.000 0.798 398 G HN 0.632 nan 8.290 nan 0.000 0.490 399 V N 1.406 121.052 119.914 -0.447 0.000 2.444 399 V HA 0.308 4.435 4.120 0.012 0.000 0.294 399 V C 0.797 176.843 176.094 -0.080 0.000 1.022 399 V CA -0.571 61.576 62.300 -0.256 0.000 0.850 399 V CB 1.532 33.116 31.823 -0.398 0.000 0.992 399 V HN 0.751 nan 8.190 nan 0.000 0.426 400 Q N 2.817 122.628 119.800 0.019 0.000 2.079 400 Q HA 0.105 4.452 4.340 0.012 0.000 0.200 400 Q C 0.668 176.677 176.000 0.016 0.000 0.974 400 Q CA 1.463 57.279 55.803 0.023 0.000 0.840 400 Q CB 0.346 29.112 28.738 0.047 0.000 0.898 400 Q HN 0.914 nan 8.270 nan 0.000 0.430 401 A N -0.249 122.586 122.820 0.025 0.000 2.605 401 A HA 0.532 4.859 4.320 0.012 0.000 0.294 401 A C -1.871 175.741 177.584 0.047 0.000 1.062 401 A CA -0.619 51.439 52.037 0.034 0.000 0.682 401 A CB 1.137 20.159 19.000 0.037 0.000 1.278 401 A HN 0.086 nan 8.150 nan 0.000 0.410 402 L N 2.287 123.555 121.223 0.075 0.000 2.481 402 L HA 0.486 4.834 4.340 0.012 0.000 0.255 402 L C -2.635 174.311 176.870 0.127 0.000 1.192 402 L CA -1.544 53.349 54.840 0.089 0.000 0.924 402 L CB 1.686 43.800 42.059 0.093 0.000 1.179 402 L HN 0.416 nan 8.230 nan 0.000 0.491 403 P HA 0.200 nan 4.420 nan 0.000 0.276 403 P C -0.833 176.559 177.300 0.153 0.000 1.264 403 P CA 0.215 63.386 63.100 0.118 0.000 0.769 403 P CB 0.698 32.442 31.700 0.074 0.000 0.840 404 L N 4.165 125.532 121.223 0.240 0.000 2.334 404 L HA 0.673 5.020 4.340 0.012 0.000 0.273 404 L C 0.522 177.594 176.870 0.337 0.000 1.013 404 L CA -1.209 53.846 54.840 0.358 0.000 0.816 404 L CB 2.116 44.480 42.059 0.508 0.000 1.278 404 L HN 0.192 nan 8.230 nan 0.000 0.431 405 V N -1.112 119.012 119.914 0.351 0.000 2.876 405 V HA 0.768 4.895 4.120 0.012 0.000 0.312 405 V C -1.395 174.955 176.094 0.427 0.000 1.085 405 V CA -0.628 61.758 62.300 0.143 0.000 0.945 405 V CB 1.626 33.465 31.823 0.027 0.000 1.017 405 V HN 0.947 nan 8.190 nan 0.000 0.428 406 W N 1.022 122.402 121.300 0.133 0.000 3.074 406 W HA 0.772 5.440 4.660 0.014 0.000 0.332 406 W C -1.406 175.154 176.519 0.069 0.000 1.253 406 W CA -0.790 56.630 57.345 0.125 0.000 1.180 406 W CB 1.010 30.568 29.460 0.164 0.000 1.445 406 W HN 0.676 nan 8.180 nan 0.000 0.573 407 D N 1.766 122.316 120.400 0.251 0.000 2.316 407 D HA 0.336 4.984 4.640 0.012 0.000 0.245 407 D C -1.499 174.937 176.300 0.227 0.000 1.171 407 D CA -2.480 51.601 54.000 0.135 0.000 0.856 407 D CB 1.855 42.716 40.800 0.102 0.000 1.090 407 D HN 0.052 nan 8.370 nan 0.000 0.476 408 P HA -0.090 nan 4.420 nan 0.000 0.221 408 P C 0.813 178.189 177.300 0.125 0.000 1.145 408 P CA 1.088 64.302 63.100 0.191 0.000 0.795 408 P CB 0.192 31.943 31.700 0.085 0.000 0.775 409 A N -0.591 122.281 122.820 0.088 0.000 2.119 409 A HA -0.093 4.235 4.320 0.012 0.000 0.217 409 A C 1.985 179.605 177.584 0.060 0.000 1.153 409 A CA 1.828 53.900 52.037 0.059 0.000 0.692 409 A CB -1.540 17.485 19.000 0.042 0.000 0.799 409 A HN 0.332 nan 8.150 nan 0.000 0.458 410 T N -2.232 112.373 114.554 0.085 0.000 3.107 410 T HA 0.146 4.503 4.350 0.012 0.000 0.249 410 T C 0.851 175.580 174.700 0.049 0.000 1.096 410 T CA 0.697 62.839 62.100 0.071 0.000 1.012 410 T CB -0.852 68.072 68.868 0.093 0.000 0.977 410 T HN 0.504 nan 8.240 nan 0.000 0.527 411 T N 0.002 114.585 114.554 0.049 0.000 2.912 411 T HA 0.574 4.931 4.350 0.012 0.000 0.280 411 T C -0.626 174.059 174.700 -0.024 0.000 0.989 411 T CA -1.040 61.050 62.100 -0.018 0.000 0.995 411 T CB 1.634 70.489 68.868 -0.023 0.000 1.077 411 T HN 0.556 nan 8.240 nan 0.000 0.531 412 K N 0.281 120.645 120.400 -0.060 0.000 2.507 412 K HA 0.721 5.049 4.320 0.012 0.000 0.251 412 K C -0.558 176.008 176.600 -0.056 0.000 0.943 412 K CA -1.086 55.175 56.287 -0.043 0.000 0.794 412 K CB 1.994 34.476 32.500 -0.031 0.000 1.188 412 K HN 0.771 nan 8.250 nan 0.000 0.428 413 A N 2.654 125.453 122.820 -0.035 0.000 2.327 413 A HA 0.433 4.760 4.320 0.012 0.000 0.255 413 A C 0.522 178.088 177.584 -0.030 0.000 1.099 413 A CA -0.335 51.682 52.037 -0.033 0.000 0.801 413 A CB 0.374 19.364 19.000 -0.016 0.000 1.062 413 A HN 0.822 nan 8.150 nan 0.000 0.496 414 V N 0.000 119.898 119.914 -0.026 0.000 2.409 414 V HA 0.000 4.127 4.120 0.012 0.000 0.244 414 V CA 0.000 62.289 62.300 -0.018 0.000 1.235 414 V CB 0.000 31.814 31.823 -0.014 0.000 1.184 414 V HN 0.000 nan 8.190 nan 0.000 0.556