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 1bf6_1_B DATA FIRST_RESID 2 DATA SEQUENCE SFDPTGYTLA HEHLHIDLSG FKNNVDCRLD QYAFICQEMN DLMTRGVRNV DATA SEQUENCE IEMTNRYMGR NAQFMLDVMR ETGINVVACT GYYQDAFFPE HVATRSVQEL DATA SEQUENCE AQEMVDEIEQ GIDGTELKAG IIAEIGTSEG KITPLEEKVF IAAALAHNQT DATA SEQUENCE GRPISTHTSF STMGLEQLAL LQAHGVDLSR VTVGHCDLKD NLDNILKMID DATA SEQUENCE LGAYVQFDTI GKNSYYPDEK RIAMLHALRD RGLLNRVMLS MDITRRSHLK DATA SEQUENCE ANGGYGYDYL LTTFIPQLRQ SGFSQADVDV MLRENPSQFF Q VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.657 174.600 0.095 0.000 1.055 2 S CA 0.000 58.243 58.200 0.072 0.000 1.107 2 S CB 0.000 63.233 63.200 0.056 0.000 0.593 3 F N 3.393 123.348 119.950 0.008 0.000 2.563 3 F HA 0.396 1.967 4.527 -4.928 0.000 0.363 3 F C 0.417 176.228 175.800 0.019 0.000 1.123 3 F CA 0.605 58.615 58.000 0.017 0.000 1.307 3 F CB 0.594 39.618 39.000 0.039 0.000 1.115 3 F HN 0.601 nan 8.300 nan 0.000 0.592 4 D N 8.013 128.136 120.400 -0.461 0.000 2.461 4 D HA 0.273 1.951 4.640 -4.937 0.000 0.240 4 D C -1.896 174.249 176.300 -0.257 0.000 1.094 4 D CA -2.458 51.401 54.000 -0.234 0.000 0.868 4 D CB 1.474 42.146 40.800 -0.213 0.000 1.062 4 D HN 0.226 nan 8.370 nan 0.000 0.530 5 P HA -0.090 nan 4.420 nan 0.000 0.230 5 P C 1.056 178.417 177.300 0.103 0.000 1.158 5 P CA 0.790 64.036 63.100 0.244 0.000 0.769 5 P CB 0.099 31.965 31.700 0.278 0.000 0.807 6 T N -3.887 110.677 114.554 0.017 0.000 3.067 6 T HA 0.183 1.571 4.350 -4.937 0.000 0.261 6 T C 1.193 175.846 174.700 -0.078 0.000 1.110 6 T CA 0.413 62.502 62.100 -0.017 0.000 1.113 6 T CB -0.561 68.289 68.868 -0.031 0.000 0.917 6 T HN 0.039 nan 8.240 nan 0.000 0.499 7 G N -0.504 108.232 108.800 -0.107 0.000 2.601 7 G HA2 0.560 1.558 3.960 -4.937 0.000 0.317 7 G HA3 0.560 1.558 3.960 -4.937 0.000 0.317 7 G C -1.216 173.650 174.900 -0.056 0.000 1.246 7 G CA -0.983 44.016 45.100 -0.168 0.000 1.012 7 G HN 0.173 nan 8.290 nan 0.000 0.494 8 Y N -0.655 119.634 120.300 -0.020 0.000 2.299 8 Y HA 0.499 5.080 4.550 0.052 0.000 0.335 8 Y C 0.998 176.889 175.900 -0.015 0.000 1.287 8 Y CA -0.579 57.530 58.100 0.015 0.000 1.424 8 Y CB 1.344 39.824 38.460 0.034 0.000 1.326 8 Y HN 0.251 nan 8.280 nan 0.000 0.567 9 T N 3.127 117.817 114.554 0.228 0.000 2.879 9 T HA 0.396 1.784 4.350 -4.937 0.000 0.290 9 T C -1.122 173.642 174.700 0.108 0.000 0.993 9 T CA -0.635 61.538 62.100 0.122 0.000 0.975 9 T CB 0.925 69.921 68.868 0.214 0.000 0.981 9 T HN 0.156 nan 8.240 nan 0.000 0.439 10 L N 3.062 124.319 121.223 0.056 0.000 2.261 10 L HA 0.486 1.864 4.340 -4.937 0.000 0.289 10 L C 1.461 178.346 176.870 0.025 0.000 1.059 10 L CA -0.089 54.794 54.840 0.072 0.000 0.816 10 L CB 0.710 42.828 42.059 0.099 0.000 1.191 10 L HN 0.915 nan 8.230 nan 0.000 0.431 11 A N 3.228 126.098 122.820 0.083 0.000 2.070 11 A HA -0.128 1.230 4.320 -4.937 0.000 0.220 11 A C 0.714 178.356 177.584 0.098 0.000 1.159 11 A CA 1.060 53.154 52.037 0.094 0.000 0.656 11 A CB -0.566 18.593 19.000 0.265 0.000 0.800 11 A HN 0.806 nan 8.150 nan 0.000 0.453 12 H N -0.584 118.487 119.070 0.003 0.000 3.198 12 H HA 0.396 1.986 4.556 -4.942 0.000 0.317 12 H C -1.315 174.000 175.328 -0.021 0.000 1.178 12 H CA -0.510 55.526 56.048 -0.020 0.000 1.609 12 H CB 0.401 30.178 29.762 0.025 0.000 1.819 12 H HN 0.193 nan 8.280 nan 0.000 0.533 13 E N 2.328 122.480 120.200 -0.081 0.000 2.446 13 E HA 0.325 1.713 4.350 -4.937 0.000 0.276 13 E C -0.937 175.504 176.600 -0.265 0.000 0.969 13 E CA -0.894 55.520 56.400 0.024 0.000 0.800 13 E CB 1.918 31.741 29.700 0.205 0.000 1.341 13 E HN 0.573 nan 8.360 nan 0.000 0.460 14 H N 1.234 120.422 119.070 0.197 0.000 2.658 14 H HA 0.352 1.948 4.556 -4.934 0.000 0.337 14 H C 0.616 176.072 175.328 0.214 0.000 1.009 14 H CA -0.240 55.884 56.048 0.126 0.000 1.231 14 H CB 1.538 31.340 29.762 0.067 0.000 1.508 14 H HN 0.244 nan 8.280 nan 0.000 0.517 15 L N 1.454 122.833 121.223 0.260 0.000 2.408 15 L HA 0.090 1.468 4.340 -4.937 0.000 0.215 15 L C 0.510 177.533 176.870 0.253 0.000 1.081 15 L CA 0.579 55.595 54.840 0.295 0.000 0.840 15 L CB 0.422 42.641 42.059 0.267 0.000 1.002 15 L HN 0.495 nan 8.230 nan 0.000 0.468 16 H N 0.424 119.495 119.070 0.001 0.000 3.277 16 H HA 0.433 2.026 4.556 -4.938 0.000 0.329 16 H C -1.802 173.442 175.328 -0.141 0.000 1.034 16 H CA -0.380 55.497 56.048 -0.286 0.000 1.530 16 H CB 1.739 31.108 29.762 -0.656 0.000 1.837 16 H HN -0.005 nan 8.280 nan 0.000 0.493 17 I N 3.956 124.386 120.570 -0.233 0.000 2.686 17 I HA 0.276 1.484 4.170 -4.937 0.000 0.295 17 I C -1.511 174.472 176.117 -0.223 0.000 1.114 17 I CA -0.562 60.649 61.300 -0.149 0.000 1.038 17 I CB 2.240 40.101 38.000 -0.233 0.000 1.238 17 I HN 0.453 nan 8.210 nan 0.000 0.420 18 D N 7.434 127.778 120.400 -0.095 0.000 2.346 18 D HA 0.317 1.994 4.640 -4.937 0.000 0.255 18 D C -0.387 175.979 176.300 0.110 0.000 1.276 18 D CA -0.180 53.795 54.000 -0.041 0.000 0.941 18 D CB 1.069 41.853 40.800 -0.027 0.000 1.199 18 D HN 0.534 nan 8.370 nan 0.000 0.537 19 L N 2.256 123.552 121.223 0.122 0.000 2.818 19 L HA 0.095 1.473 4.340 -4.937 0.000 0.243 19 L C 1.987 179.064 176.870 0.345 0.000 1.185 19 L CA -0.022 55.033 54.840 0.358 0.000 0.988 19 L CB 0.151 42.329 42.059 0.199 0.000 1.292 19 L HN 0.264 nan 8.230 nan 0.000 0.519 20 S N -0.758 115.042 115.700 0.167 0.000 2.447 20 S HA -0.092 1.416 4.470 -4.937 0.000 0.233 20 S C 1.967 176.613 174.600 0.077 0.000 1.006 20 S CA 0.976 59.235 58.200 0.098 0.000 0.957 20 S CB -0.325 62.893 63.200 0.031 0.000 0.773 20 S HN 0.441 nan 8.310 nan 0.000 0.507 21 G N 0.624 109.445 108.800 0.035 0.000 2.403 21 G HA2 0.025 1.023 3.960 -4.937 0.000 0.216 21 G HA3 0.025 1.023 3.960 -4.937 0.000 0.216 21 G C 1.038 175.861 174.900 -0.128 0.000 1.154 21 G CA 0.524 45.556 45.100 -0.115 0.000 0.784 21 G HN 0.573 nan 8.290 nan 0.000 0.538 22 F N 0.943 120.937 119.950 0.074 0.000 2.259 22 F HA 0.148 1.713 4.527 -4.937 0.000 0.298 22 F C 2.528 178.336 175.800 0.013 0.000 1.088 22 F CA 0.977 58.996 58.000 0.031 0.000 1.358 22 F CB 0.224 39.275 39.000 0.086 0.000 1.040 22 F HN -0.040 nan 8.300 nan 0.000 0.505 23 K N -0.532 120.015 120.400 0.246 0.000 2.335 23 K HA 0.123 1.481 4.320 -4.937 0.000 0.195 23 K C 0.254 176.903 176.600 0.080 0.000 1.058 23 K CA 0.458 56.836 56.287 0.150 0.000 0.988 23 K CB -0.496 32.103 32.500 0.165 0.000 0.880 23 K HN 0.187 nan 8.250 nan 0.000 0.513 24 N N 0.651 119.388 118.700 0.061 0.000 2.829 24 N HA -0.189 1.589 4.740 -4.937 0.000 0.250 24 N C -0.660 174.867 175.510 0.028 0.000 1.090 24 N CA 0.489 53.557 53.050 0.029 0.000 0.781 24 N CB -1.109 37.390 38.487 0.019 0.000 1.124 24 N HN 0.302 nan 8.380 nan 0.000 0.559 25 N N -0.184 118.539 118.700 0.038 0.000 2.442 25 N HA 0.358 2.136 4.740 -4.937 0.000 0.274 25 N C 0.609 176.127 175.510 0.013 0.000 1.002 25 N CA -0.453 52.612 53.050 0.025 0.000 0.910 25 N CB 1.374 39.880 38.487 0.031 0.000 1.244 25 N HN 0.015 nan 8.380 nan 0.000 0.492 26 V N 3.141 123.055 119.914 0.001 0.000 3.078 26 V HA -0.137 1.021 4.120 -4.937 0.000 0.265 26 V C 1.460 177.539 176.094 -0.025 0.000 1.122 26 V CA 1.726 64.020 62.300 -0.010 0.000 1.141 26 V CB -0.456 31.362 31.823 -0.008 0.000 0.735 26 V HN 0.746 nan 8.190 nan 0.000 0.498 27 D N -0.647 119.737 120.400 -0.028 0.000 2.219 27 D HA -0.136 1.542 4.640 -4.937 0.000 0.205 27 D C 1.813 178.063 176.300 -0.083 0.000 0.970 27 D CA 1.616 55.582 54.000 -0.057 0.000 0.851 27 D CB -0.289 40.474 40.800 -0.062 0.000 0.943 27 D HN 0.571 nan 8.370 nan 0.000 0.488 28 C N 0.228 119.498 119.300 -0.051 0.000 2.576 28 C HA 0.226 1.724 4.460 -4.937 0.000 0.267 28 C C 1.392 176.341 174.990 -0.069 0.000 1.364 28 C CA -0.478 58.510 59.018 -0.051 0.000 1.723 28 C CB -1.613 26.137 27.740 0.016 0.000 1.778 28 C HN 0.154 nan 8.230 nan 0.000 0.572 29 R N 1.553 122.006 120.500 -0.078 0.000 3.070 29 R HA 0.332 1.710 4.340 -4.937 0.000 0.252 29 R C -0.515 175.684 176.300 -0.168 0.000 1.370 29 R CA -0.465 55.563 56.100 -0.120 0.000 1.482 29 R CB -0.309 29.941 30.300 -0.084 0.000 1.220 29 R HN 0.219 nan 8.270 nan 0.000 0.622 30 L N 5.085 126.183 121.223 -0.209 0.000 2.462 30 L HA 0.182 1.560 4.340 -4.937 0.000 0.283 30 L C -0.497 176.149 176.870 -0.373 0.000 1.166 30 L CA 0.557 55.286 54.840 -0.185 0.000 0.964 30 L CB 0.535 42.531 42.059 -0.106 0.000 1.294 30 L HN 0.631 nan 8.230 nan 0.000 0.449 31 D N 1.572 121.801 120.400 -0.284 0.000 2.615 31 D HA -0.013 1.665 4.640 -4.937 0.000 0.274 31 D C -0.172 176.181 176.300 0.088 0.000 1.512 31 D CA -0.206 53.576 54.000 -0.363 0.000 0.803 31 D CB -0.278 40.258 40.800 -0.441 0.000 1.182 31 D HN 0.502 nan 8.370 nan 0.000 0.473 32 Q N 0.965 120.840 119.800 0.124 0.000 2.513 32 Q HA 0.093 1.471 4.340 -4.937 0.000 0.227 32 Q C 0.181 176.329 176.000 0.246 0.000 1.257 32 Q CA -0.433 55.428 55.803 0.096 0.000 0.915 32 Q CB 0.454 29.161 28.738 -0.052 0.000 1.507 32 Q HN 0.212 nan 8.270 nan 0.000 0.543 33 Y N 2.695 123.142 120.300 0.246 0.000 2.030 33 Y HA -0.408 1.182 4.550 -4.934 0.000 0.272 33 Y C 2.066 177.962 175.900 -0.007 0.000 1.185 33 Y CA 2.412 60.572 58.100 0.100 0.000 1.120 33 Y CB -0.221 38.229 38.460 -0.017 0.000 0.955 33 Y HN 0.652 nan 8.280 nan 0.000 0.495 34 A N -0.049 122.732 122.820 -0.064 0.000 1.873 34 A HA -0.211 1.147 4.320 -4.937 0.000 0.218 34 A C 2.102 179.718 177.584 0.054 0.000 1.193 34 A CA 1.997 53.978 52.037 -0.094 0.000 0.629 34 A CB -1.422 17.559 19.000 -0.031 0.000 0.826 34 A HN 0.517 nan 8.150 nan 0.000 0.447 35 F N -0.026 119.917 119.950 -0.012 0.000 2.134 35 F HA -0.112 1.452 4.527 -4.938 0.000 0.299 35 F C 2.242 178.042 175.800 0.001 0.000 1.097 35 F CA 0.563 58.569 58.000 0.010 0.000 1.264 35 F CB -1.118 37.913 39.000 0.052 0.000 1.001 35 F HN 0.140 nan 8.300 nan 0.000 0.479 36 I N -1.398 119.291 120.570 0.200 0.000 2.394 36 I HA -0.294 0.914 4.170 -4.937 0.000 0.251 36 I C 2.461 178.522 176.117 -0.094 0.000 1.136 36 I CA 0.751 62.114 61.300 0.106 0.000 1.425 36 I CB -0.682 37.457 38.000 0.231 0.000 1.079 36 I HN 0.125 nan 8.210 nan 0.000 0.425 37 C N 0.486 119.638 119.300 -0.246 0.000 2.453 37 C HA -0.155 1.343 4.460 -4.937 0.000 0.277 37 C C 2.888 177.791 174.990 -0.146 0.000 1.262 37 C CA 0.860 59.697 59.018 -0.303 0.000 1.718 37 C CB -0.986 26.463 27.740 -0.485 0.000 2.031 37 C HN 0.516 nan 8.230 nan 0.000 0.480 38 Q N 0.330 120.089 119.800 -0.068 0.000 2.124 38 Q HA -0.171 1.207 4.340 -4.937 0.000 0.202 38 Q C 2.176 178.172 176.000 -0.007 0.000 0.977 38 Q CA 1.265 57.058 55.803 -0.016 0.000 0.850 38 Q CB -0.170 28.589 28.738 0.035 0.000 0.901 38 Q HN 0.662 nan 8.270 nan 0.000 0.429 39 E N 0.069 120.276 120.200 0.011 0.000 2.106 39 E HA -0.136 1.252 4.350 -4.937 0.000 0.192 39 E C 1.963 178.531 176.600 -0.054 0.000 0.984 39 E CA 0.875 57.299 56.400 0.039 0.000 0.806 39 E CB -0.006 29.788 29.700 0.157 0.000 0.750 39 E HN 0.402 nan 8.360 nan 0.000 0.458 40 M N 0.963 120.482 119.600 -0.135 0.000 2.175 40 M HA -0.086 1.432 4.480 -4.937 0.000 0.264 40 M C 1.705 177.954 176.300 -0.085 0.000 1.063 40 M CA 0.951 56.158 55.300 -0.154 0.000 1.119 40 M CB -1.155 31.338 32.600 -0.178 0.000 1.377 40 M HN 0.004 nan 8.290 nan 0.000 0.415 41 N N 1.134 119.793 118.700 -0.069 0.000 2.166 41 N HA -0.151 1.627 4.740 -4.937 0.000 0.186 41 N C 1.242 176.741 175.510 -0.018 0.000 1.019 41 N CA 1.285 54.309 53.050 -0.044 0.000 0.856 41 N CB -0.387 38.076 38.487 -0.040 0.000 0.993 41 N HN 0.325 nan 8.380 nan 0.000 0.426 42 D N 0.800 121.199 120.400 -0.002 0.000 2.117 42 D HA -0.072 1.606 4.640 -4.937 0.000 0.197 42 D C 2.176 178.498 176.300 0.037 0.000 0.987 42 D CA 0.436 54.452 54.000 0.026 0.000 0.829 42 D CB -0.355 40.475 40.800 0.051 0.000 0.961 42 D HN 0.230 nan 8.370 nan 0.000 0.460 43 L N 0.193 121.435 121.223 0.032 0.000 2.079 43 L HA -0.140 1.238 4.340 -4.937 0.000 0.210 43 L C 2.527 179.418 176.870 0.035 0.000 1.081 43 L CA 0.877 55.746 54.840 0.049 0.000 0.752 43 L CB -0.319 41.753 42.059 0.020 0.000 0.896 43 L HN 0.061 nan 8.230 nan 0.000 0.433 44 M N -1.296 118.303 119.600 -0.002 0.000 2.296 44 M HA -0.128 1.390 4.480 -4.937 0.000 0.265 44 M C 2.013 178.306 176.300 -0.011 0.000 1.064 44 M CA 1.463 56.753 55.300 -0.017 0.000 1.109 44 M CB -0.660 31.917 32.600 -0.037 0.000 1.396 44 M HN 0.212 nan 8.290 nan 0.000 0.430 45 T N -0.017 114.539 114.554 0.003 0.000 2.995 45 T HA 0.019 1.406 4.350 -4.937 0.000 0.269 45 T C 1.585 176.296 174.700 0.019 0.000 1.091 45 T CA 0.741 62.844 62.100 0.005 0.000 1.128 45 T CB -0.086 68.787 68.868 0.010 0.000 0.891 45 T HN 0.249 nan 8.240 nan 0.000 0.492 46 R N 0.521 121.049 120.500 0.046 0.000 2.388 46 R HA 0.347 1.725 4.340 -4.937 0.000 0.247 46 R C 1.676 178.038 176.300 0.104 0.000 0.931 46 R CA 0.365 56.518 56.100 0.089 0.000 1.082 46 R CB -0.292 30.083 30.300 0.126 0.000 1.135 46 R HN 0.505 nan 8.270 nan 0.000 0.525 47 G N 0.195 108.996 108.800 0.002 0.000 2.195 47 G HA2 -0.272 0.726 3.960 -4.937 0.000 0.246 47 G HA3 -0.272 0.726 3.960 -4.937 0.000 0.246 47 G C 0.217 175.053 174.900 -0.106 0.000 0.984 47 G CA 0.093 45.106 45.100 -0.144 0.000 0.633 47 G HN 0.155 nan 8.290 nan 0.000 0.525 48 V N 1.758 121.716 119.914 0.072 0.000 2.521 48 V HA 0.400 1.557 4.120 -4.937 0.000 0.286 48 V C 1.467 177.547 176.094 -0.023 0.000 1.034 48 V CA 0.276 62.632 62.300 0.093 0.000 1.045 48 V CB 1.369 33.261 31.823 0.115 0.000 0.974 48 V HN 0.328 nan 8.190 nan 0.000 0.480 49 R N 2.285 122.743 120.500 -0.070 0.000 2.369 49 R HA 0.289 1.667 4.340 -4.937 0.000 0.210 49 R C -0.054 176.128 176.300 -0.196 0.000 0.881 49 R CA 0.124 56.140 56.100 -0.141 0.000 1.031 49 R CB 0.418 30.609 30.300 -0.181 0.000 1.184 49 R HN 0.688 nan 8.270 nan 0.000 0.581 50 N N 0.358 118.936 118.700 -0.204 0.000 2.229 50 N HA 0.365 2.143 4.740 -4.937 0.000 0.298 50 N C -1.191 174.243 175.510 -0.128 0.000 1.114 50 N CA -0.507 52.404 53.050 -0.232 0.000 0.776 50 N CB 3.279 41.494 38.487 -0.453 0.000 1.501 50 N HN -0.304 nan 8.380 nan 0.000 0.474 51 V N 2.037 121.880 119.914 -0.120 0.000 2.569 51 V HA 0.333 1.491 4.120 -4.937 0.000 0.301 51 V C -0.518 175.492 176.094 -0.139 0.000 1.044 51 V CA -0.772 61.465 62.300 -0.104 0.000 0.874 51 V CB 1.963 33.730 31.823 -0.093 0.000 1.002 51 V HN 0.517 nan 8.190 nan 0.000 0.424 52 I N 3.728 124.172 120.570 -0.210 0.000 2.281 52 I HA 0.342 1.550 4.170 -4.937 0.000 0.293 52 I C 0.612 176.598 176.117 -0.219 0.000 1.085 52 I CA -0.268 60.868 61.300 -0.273 0.000 1.257 52 I CB 0.612 38.293 38.000 -0.532 0.000 1.430 52 I HN 0.607 nan 8.210 nan 0.000 0.489 53 E N 6.661 126.760 120.200 -0.169 0.000 2.257 53 E HA 0.143 1.531 4.350 -4.937 0.000 0.278 53 E C 0.337 176.791 176.600 -0.243 0.000 1.049 53 E CA -0.149 56.143 56.400 -0.179 0.000 0.876 53 E CB 1.167 30.824 29.700 -0.071 0.000 1.035 53 E HN 0.373 nan 8.360 nan 0.000 0.419 54 M N 2.488 121.819 119.600 -0.447 0.000 2.453 54 M HA 0.059 1.576 4.480 -4.937 0.000 0.239 54 M C 0.160 176.363 176.300 -0.162 0.000 1.151 54 M CA 0.202 55.238 55.300 -0.440 0.000 0.989 54 M CB -0.312 31.759 32.600 -0.881 0.000 1.548 54 M HN 0.063 nan 8.290 nan 0.000 0.479 55 T N 3.182 117.719 114.554 -0.027 0.000 2.782 55 T HA 0.230 1.618 4.350 -4.937 0.000 0.298 55 T C 0.710 175.387 174.700 -0.039 0.000 0.944 55 T CA -0.530 61.603 62.100 0.054 0.000 1.001 55 T CB 0.060 69.010 68.868 0.137 0.000 0.932 55 T HN 0.427 nan 8.240 nan 0.000 0.524 56 N N 3.100 121.755 118.700 -0.076 0.000 2.364 56 N HA 0.223 2.001 4.740 -4.937 0.000 0.264 56 N C 1.330 176.767 175.510 -0.123 0.000 1.263 56 N CA -0.967 52.026 53.050 -0.096 0.000 0.959 56 N CB 1.380 39.809 38.487 -0.097 0.000 1.204 56 N HN 0.371 nan 8.380 nan 0.000 0.550 57 R N -0.135 120.241 120.500 -0.206 0.000 2.143 57 R HA -0.240 1.138 4.340 -4.937 0.000 0.239 57 R C 1.034 177.106 176.300 -0.381 0.000 1.126 57 R CA 2.077 57.961 56.100 -0.361 0.000 0.927 57 R CB -0.585 29.369 30.300 -0.576 0.000 0.860 57 R HN 0.686 nan 8.270 nan 0.000 0.433 58 Y N -0.395 119.926 120.300 0.035 0.000 2.488 58 Y HA 0.080 1.668 4.550 -4.937 0.000 0.319 58 Y C 1.391 177.426 175.900 0.225 0.000 1.212 58 Y CA 0.281 58.487 58.100 0.177 0.000 1.273 58 Y CB 0.091 38.714 38.460 0.271 0.000 1.074 58 Y HN 0.150 nan 8.280 nan 0.000 0.503 59 M N -0.944 118.740 119.600 0.141 0.000 2.333 59 M HA 0.307 1.825 4.480 -4.937 0.000 0.257 59 M C 1.029 177.365 176.300 0.061 0.000 1.078 59 M CA 0.438 55.762 55.300 0.040 0.000 1.005 59 M CB 0.817 33.302 32.600 -0.192 0.000 1.444 59 M HN 0.299 nan 8.290 nan 0.000 0.496 60 G N 2.218 111.065 108.800 0.078 0.000 2.215 60 G HA2 -0.205 0.793 3.960 -4.937 0.000 0.198 60 G HA3 -0.205 0.793 3.960 -4.937 0.000 0.198 60 G C -0.135 174.826 174.900 0.103 0.000 1.047 60 G CA -0.374 44.779 45.100 0.089 0.000 0.747 60 G HN 0.470 nan 8.290 nan 0.000 0.495 61 R N 0.061 120.561 120.500 -0.000 0.000 2.643 61 R HA 0.402 1.779 4.340 -4.937 0.000 0.270 61 R C -0.473 175.735 176.300 -0.155 0.000 1.061 61 R CA -0.232 55.848 56.100 -0.033 0.000 1.107 61 R CB 0.375 30.630 30.300 -0.076 0.000 0.999 61 R HN 0.170 nan 8.270 nan 0.000 0.460 62 N N 2.287 120.819 118.700 -0.280 0.000 2.581 62 N HA 0.171 1.949 4.740 -4.937 0.000 0.279 62 N C -0.164 175.251 175.510 -0.159 0.000 1.124 62 N CA -0.000 52.813 53.050 -0.394 0.000 0.833 62 N CB 1.807 39.669 38.487 -1.042 0.000 1.338 62 N HN 0.677 nan 8.380 nan 0.000 0.533 63 A N 2.608 125.374 122.820 -0.091 0.000 1.877 63 A HA -0.188 1.170 4.320 -4.937 0.000 0.216 63 A C 1.818 179.402 177.584 0.000 0.000 1.186 63 A CA 1.526 53.544 52.037 -0.032 0.000 0.620 63 A CB -0.341 18.636 19.000 -0.039 0.000 0.822 63 A HN 0.650 nan 8.150 nan 0.000 0.443 64 Q N -1.093 118.698 119.800 -0.016 0.000 2.135 64 Q HA -0.162 1.216 4.340 -4.937 0.000 0.204 64 Q C 1.682 177.703 176.000 0.035 0.000 0.981 64 Q CA 2.036 57.835 55.803 -0.007 0.000 0.856 64 Q CB -0.611 28.109 28.738 -0.030 0.000 0.902 64 Q HN 0.643 nan 8.270 nan 0.000 0.425 65 F N -0.242 119.645 119.950 -0.104 0.000 2.102 65 F HA -0.172 1.391 4.527 -4.940 0.000 0.298 65 F C 1.865 177.703 175.800 0.063 0.000 1.105 65 F CA 1.640 59.624 58.000 -0.026 0.000 1.239 65 F CB -0.142 38.825 39.000 -0.056 0.000 0.991 65 F HN 0.099 nan 8.300 nan 0.000 0.474 66 M N -0.323 119.446 119.600 0.282 0.000 2.117 66 M HA -0.206 1.312 4.480 -4.937 0.000 0.262 66 M C 2.251 178.581 176.300 0.051 0.000 1.065 66 M CA 1.546 56.948 55.300 0.171 0.000 1.114 66 M CB -0.634 32.045 32.600 0.132 0.000 1.361 66 M HN 0.240 nan 8.290 nan 0.000 0.408 67 L N 0.003 121.243 121.223 0.029 0.000 2.046 67 L HA -0.251 1.127 4.340 -4.937 0.000 0.208 67 L C 2.052 178.916 176.870 -0.010 0.000 1.077 67 L CA 1.110 55.951 54.840 0.001 0.000 0.747 67 L CB -0.738 41.316 42.059 -0.008 0.000 0.896 67 L HN 0.271 nan 8.230 nan 0.000 0.432 68 D N -0.417 119.971 120.400 -0.020 0.000 2.097 68 D HA -0.160 1.518 4.640 -4.937 0.000 0.195 68 D C 2.325 178.660 176.300 0.057 0.000 0.989 68 D CA 1.128 55.123 54.000 -0.008 0.000 0.827 68 D CB -0.285 40.444 40.800 -0.120 0.000 0.966 68 D HN 0.077 nan 8.370 nan 0.000 0.456 69 V N 0.955 120.875 119.914 0.011 0.000 2.332 69 V HA -0.252 0.906 4.120 -4.937 0.000 0.248 69 V C 2.520 178.570 176.094 -0.074 0.000 1.055 69 V CA 1.354 63.596 62.300 -0.097 0.000 1.038 69 V CB -0.370 31.356 31.823 -0.161 0.000 0.651 69 V HN 0.236 nan 8.190 nan 0.000 0.450 70 M N -0.834 118.740 119.600 -0.044 0.000 2.117 70 M HA -0.195 1.323 4.480 -4.937 0.000 0.262 70 M C 2.445 178.724 176.300 -0.035 0.000 1.065 70 M CA 1.842 57.117 55.300 -0.042 0.000 1.114 70 M CB -0.477 32.106 32.600 -0.028 0.000 1.361 70 M HN 0.213 nan 8.290 nan 0.000 0.408 71 R N 0.316 120.803 120.500 -0.021 0.000 2.092 71 R HA -0.196 1.182 4.340 -4.937 0.000 0.231 71 R C 1.979 178.270 176.300 -0.016 0.000 1.119 71 R CA 1.757 57.847 56.100 -0.016 0.000 0.970 71 R CB 0.003 30.298 30.300 -0.009 0.000 0.864 71 R HN 0.224 nan 8.270 nan 0.000 0.440 72 E N -0.360 119.832 120.200 -0.013 0.000 2.076 72 E HA -0.102 1.286 4.350 -4.937 0.000 0.190 72 E C 1.541 178.110 176.600 -0.052 0.000 0.979 72 E CA 1.964 58.350 56.400 -0.023 0.000 0.807 72 E CB 0.102 29.790 29.700 -0.020 0.000 0.761 72 E HN 0.432 nan 8.360 nan 0.000 0.454 73 T N -4.488 110.023 114.554 -0.071 0.000 2.990 73 T HA 0.341 1.729 4.350 -4.937 0.000 0.250 73 T C 1.575 176.237 174.700 -0.063 0.000 1.041 73 T CA 0.481 62.536 62.100 -0.075 0.000 1.010 73 T CB 0.434 69.240 68.868 -0.103 0.000 1.003 73 T HN 0.347 nan 8.240 nan 0.000 0.499 74 G N 1.411 110.177 108.800 -0.056 0.000 2.179 74 G HA2 -0.236 0.761 3.960 -4.937 0.000 0.260 74 G HA3 -0.236 0.761 3.960 -4.937 0.000 0.260 74 G C 0.051 174.913 174.900 -0.064 0.000 0.977 74 G CA 0.206 45.274 45.100 -0.053 0.000 0.641 74 G HN 0.746 nan 8.290 nan 0.000 0.533 75 I N 0.994 121.519 120.570 -0.074 0.000 2.720 75 I HA 0.296 1.504 4.170 -4.937 0.000 0.287 75 I C 0.523 176.590 176.117 -0.083 0.000 1.090 75 I CA -0.745 60.503 61.300 -0.087 0.000 1.384 75 I CB 0.711 38.652 38.000 -0.099 0.000 1.420 75 I HN 0.231 nan 8.210 nan 0.000 0.575 76 N N 5.755 124.394 118.700 -0.100 0.000 2.419 76 N HA 0.290 2.068 4.740 -4.937 0.000 0.277 76 N C -1.584 173.880 175.510 -0.075 0.000 1.006 76 N CA -0.477 52.522 53.050 -0.085 0.000 0.923 76 N CB 1.390 39.810 38.487 -0.112 0.000 1.140 76 N HN 0.291 nan 8.380 nan 0.000 0.488 77 V N 3.821 123.709 119.914 -0.043 0.000 2.384 77 V HA 0.281 1.439 4.120 -4.937 0.000 0.287 77 V C 0.083 176.168 176.094 -0.015 0.000 1.020 77 V CA -0.814 61.464 62.300 -0.036 0.000 0.850 77 V CB 1.566 33.378 31.823 -0.018 0.000 0.987 77 V HN 0.376 nan 8.190 nan 0.000 0.436 78 V N 5.040 124.939 119.914 -0.025 0.000 2.348 78 V HA 0.620 1.778 4.120 -4.937 0.000 0.270 78 V C 0.747 176.822 176.094 -0.031 0.000 1.037 78 V CA -0.290 62.006 62.300 -0.007 0.000 0.872 78 V CB 1.182 33.005 31.823 -0.000 0.000 1.002 78 V HN 0.994 nan 8.190 nan 0.000 0.464 79 A N 4.959 127.770 122.820 -0.015 0.000 2.287 79 A HA 0.707 2.065 4.320 -4.937 0.000 0.273 79 A C 0.334 177.904 177.584 -0.024 0.000 1.091 79 A CA -0.128 51.895 52.037 -0.024 0.000 0.817 79 A CB 0.633 19.623 19.000 -0.016 0.000 1.069 79 A HN 1.185 nan 8.150 nan 0.000 0.492 80 C N -1.051 118.227 119.300 -0.037 0.000 2.822 80 C HA 0.974 2.472 4.460 -4.937 0.000 0.341 80 C C 0.051 175.016 174.990 -0.040 0.000 1.301 80 C CA -0.221 58.778 59.018 -0.032 0.000 1.706 80 C CB 1.072 28.784 27.740 -0.046 0.000 2.178 80 C HN 1.091 nan 8.230 nan 0.000 0.481 81 T N -0.390 114.145 114.554 -0.033 0.000 2.912 81 T HA 0.807 2.194 4.350 -4.937 0.000 0.299 81 T C -0.177 174.499 174.700 -0.040 0.000 1.052 81 T CA 0.929 63.002 62.100 -0.046 0.000 0.996 81 T CB 1.111 69.964 68.868 -0.024 0.000 1.070 81 T HN 2.598 nan 8.240 nan 0.000 0.465 82 G N 2.030 110.777 108.800 -0.088 0.000 2.352 82 G HA2 0.342 1.339 3.960 -4.937 0.000 0.283 82 G HA3 0.342 1.339 3.960 -4.937 0.000 0.283 82 G C -2.494 172.308 174.900 -0.163 0.000 1.308 82 G CA -0.735 44.344 45.100 -0.035 0.000 0.892 82 G HN 0.688 nan 8.290 nan 0.000 0.504 83 Y N -0.594 119.815 120.300 0.183 0.000 2.442 83 Y HA 0.590 2.179 4.550 -4.936 0.000 0.344 83 Y C 0.685 176.883 175.900 0.497 0.000 0.976 83 Y CA -0.621 57.679 58.100 0.334 0.000 1.040 83 Y CB 1.971 40.531 38.460 0.167 0.000 1.228 83 Y HN 0.687 nan 8.280 nan 0.000 0.451 84 Y N 2.251 122.834 120.300 0.471 0.000 2.473 84 Y HA -0.041 1.548 4.550 -4.936 0.000 0.238 84 Y C 0.408 176.327 175.900 0.032 0.000 1.006 84 Y CA 1.348 59.532 58.100 0.141 0.000 1.016 84 Y CB 0.023 38.415 38.460 -0.114 0.000 1.034 84 Y HN 0.664 nan 8.280 nan 0.000 0.476 85 Q N -1.417 118.022 119.800 -0.602 0.000 2.565 85 Q HA 0.269 1.647 4.340 -4.937 0.000 0.294 85 Q C 0.075 175.138 176.000 -1.561 0.000 1.005 85 Q CA -0.321 54.930 55.803 -0.919 0.000 0.771 85 Q CB 1.501 29.759 28.738 -0.800 0.000 1.486 85 Q HN 0.278 nan 8.270 nan 0.000 0.422 86 D N 1.127 120.880 120.400 -1.078 0.000 2.160 86 D HA -0.294 1.384 4.640 -4.937 0.000 0.189 86 D C 1.752 177.769 176.300 -0.471 0.000 1.003 86 D CA 3.212 56.791 54.000 -0.702 0.000 0.846 86 D CB -0.117 40.562 40.800 -0.202 0.000 0.949 86 D HN 0.661 nan 8.370 nan 0.000 0.446 87 A N -1.155 121.445 122.820 -0.368 0.000 2.076 87 A HA -0.108 1.249 4.320 -4.937 0.000 0.220 87 A C 1.638 178.916 177.584 -0.510 0.000 1.160 87 A CA 1.099 52.908 52.037 -0.381 0.000 0.653 87 A CB -0.688 18.050 19.000 -0.437 0.000 0.801 87 A HN 0.394 nan 8.150 nan 0.000 0.455 88 F N -2.194 117.495 119.950 -0.435 0.000 2.678 88 F HA 0.337 1.904 4.527 -4.934 0.000 0.305 88 F C -0.033 175.768 175.800 0.002 0.000 1.090 88 F CA -0.900 56.871 58.000 -0.382 0.000 1.272 88 F CB 0.099 38.758 39.000 -0.568 0.000 1.060 88 F HN -0.025 nan 8.300 nan 0.000 0.576 89 F N 3.737 123.777 119.950 0.151 0.000 2.538 89 F HA 0.209 1.774 4.527 -4.938 0.000 0.371 89 F C -1.448 174.356 175.800 0.007 0.000 1.087 89 F CA -3.543 54.515 58.000 0.097 0.000 1.250 89 F CB -0.620 38.375 39.000 -0.008 0.000 1.110 89 F HN -0.145 nan 8.300 nan 0.000 0.570 90 P HA 0.116 nan 4.420 nan 0.000 0.274 90 P C 0.192 177.334 177.300 -0.264 0.000 1.246 90 P CA -0.212 62.773 63.100 -0.192 0.000 0.795 90 P CB 0.949 32.251 31.700 -0.663 0.000 1.006 91 E N -0.110 119.988 120.200 -0.169 0.000 2.130 91 E HA -0.247 1.141 4.350 -4.937 0.000 0.196 91 E C 1.893 178.417 176.600 -0.126 0.000 0.998 91 E CA 1.540 57.880 56.400 -0.101 0.000 0.806 91 E CB -0.735 28.948 29.700 -0.028 0.000 0.738 91 E HN 0.625 nan 8.360 nan 0.000 0.459 92 H N -0.719 118.290 119.070 -0.101 0.000 2.543 92 H HA -0.012 1.582 4.556 -4.937 0.000 0.286 92 H C 1.649 176.851 175.328 -0.210 0.000 1.037 92 H CA 0.947 56.921 56.048 -0.124 0.000 1.250 92 H CB -0.203 29.503 29.762 -0.093 0.000 1.373 92 H HN 0.048 nan 8.280 nan 0.000 0.580 93 V N 1.364 121.057 119.914 -0.367 0.000 2.626 93 V HA -0.192 0.966 4.120 -4.937 0.000 0.252 93 V C 2.927 178.851 176.094 -0.283 0.000 1.067 93 V CA 1.471 63.477 62.300 -0.490 0.000 1.081 93 V CB -0.672 30.640 31.823 -0.850 0.000 0.686 93 V HN 0.686 nan 8.190 nan 0.000 0.468 94 A N 0.504 123.223 122.820 -0.169 0.000 1.935 94 A HA -0.102 1.256 4.320 -4.937 0.000 0.214 94 A C 2.416 179.965 177.584 -0.058 0.000 1.178 94 A CA 1.705 53.686 52.037 -0.093 0.000 0.640 94 A CB -0.592 18.378 19.000 -0.051 0.000 0.825 94 A HN 0.582 nan 8.150 nan 0.000 0.447 95 T N -2.338 112.194 114.554 -0.036 0.000 3.054 95 T HA 0.168 1.556 4.350 -4.937 0.000 0.259 95 T C 1.014 175.705 174.700 -0.015 0.000 1.092 95 T CA -0.096 61.996 62.100 -0.013 0.000 1.121 95 T CB -0.126 68.746 68.868 0.007 0.000 0.912 95 T HN 0.335 nan 8.240 nan 0.000 0.489 96 R N 2.323 122.809 120.500 -0.023 0.000 2.500 96 R HA 0.508 1.886 4.340 -4.937 0.000 0.275 96 R C 0.466 176.740 176.300 -0.044 0.000 1.051 96 R CA -0.292 55.791 56.100 -0.028 0.000 1.088 96 R CB 0.949 31.234 30.300 -0.024 0.000 1.063 96 R HN 0.470 nan 8.270 nan 0.000 0.511 97 S N 0.141 115.822 115.700 -0.031 0.000 2.614 97 S HA 0.020 1.528 4.470 -4.937 0.000 0.265 97 S C 1.185 175.764 174.600 -0.036 0.000 1.303 97 S CA -0.885 57.298 58.200 -0.028 0.000 1.000 97 S CB 1.539 64.730 63.200 -0.014 0.000 0.935 97 S HN 0.445 nan 8.310 nan 0.000 0.551 98 V N 1.554 121.448 119.914 -0.034 0.000 2.490 98 V HA -0.182 0.976 4.120 -4.937 0.000 0.250 98 V C 2.364 178.450 176.094 -0.014 0.000 1.061 98 V CA 2.262 64.540 62.300 -0.035 0.000 1.064 98 V CB -1.031 30.773 31.823 -0.033 0.000 0.670 98 V HN 0.939 nan 8.190 nan 0.000 0.461 99 Q N -0.065 119.732 119.800 -0.005 0.000 2.119 99 Q HA -0.169 1.209 4.340 -4.937 0.000 0.201 99 Q C 2.160 178.166 176.000 0.010 0.000 0.972 99 Q CA 2.115 57.922 55.803 0.006 0.000 0.847 99 Q CB -0.228 28.514 28.738 0.007 0.000 0.903 99 Q HN 0.724 nan 8.270 nan 0.000 0.433 100 E N 0.044 120.246 120.200 0.003 0.000 2.110 100 E HA -0.151 1.237 4.350 -4.937 0.000 0.193 100 E C 1.876 178.494 176.600 0.031 0.000 0.988 100 E CA 0.849 57.255 56.400 0.009 0.000 0.804 100 E CB -0.104 29.593 29.700 -0.004 0.000 0.745 100 E HN 0.316 nan 8.360 nan 0.000 0.458 101 L N 0.529 121.768 121.223 0.027 0.000 2.056 101 L HA -0.160 1.218 4.340 -4.937 0.000 0.207 101 L C 2.621 179.551 176.870 0.101 0.000 1.078 101 L CA 0.979 55.865 54.840 0.077 0.000 0.749 101 L CB -0.516 41.539 42.059 -0.008 0.000 0.901 101 L HN 0.140 nan 8.230 nan 0.000 0.433 102 A N -0.271 122.582 122.820 0.055 0.000 1.902 102 A HA -0.250 1.108 4.320 -4.937 0.000 0.217 102 A C 2.230 179.842 177.584 0.047 0.000 1.181 102 A CA 1.569 53.636 52.037 0.050 0.000 0.623 102 A CB -0.508 18.511 19.000 0.031 0.000 0.818 102 A HN 0.462 nan 8.150 nan 0.000 0.443 103 Q N -0.808 119.015 119.800 0.039 0.000 2.096 103 Q HA -0.235 1.143 4.340 -4.937 0.000 0.204 103 Q C 2.132 178.155 176.000 0.040 0.000 0.982 103 Q CA 1.683 57.504 55.803 0.031 0.000 0.850 103 Q CB -0.200 28.552 28.738 0.023 0.000 0.901 103 Q HN 0.864 nan 8.270 nan 0.000 0.422 104 E N 0.595 120.833 120.200 0.062 0.000 2.058 104 E HA -0.223 1.165 4.350 -4.937 0.000 0.194 104 E C 1.986 178.622 176.600 0.060 0.000 0.997 104 E CA 1.197 57.642 56.400 0.075 0.000 0.801 104 E CB -0.010 29.774 29.700 0.139 0.000 0.746 104 E HN 0.351 nan 8.360 nan 0.000 0.450 105 M N 0.094 119.737 119.600 0.072 0.000 2.117 105 M HA -0.155 1.363 4.480 -4.937 0.000 0.262 105 M C 2.371 178.688 176.300 0.028 0.000 1.065 105 M CA 1.025 56.353 55.300 0.047 0.000 1.114 105 M CB -0.066 32.571 32.600 0.061 0.000 1.361 105 M HN 0.080 nan 8.290 nan 0.000 0.408 106 V N 0.543 120.473 119.914 0.027 0.000 2.407 106 V HA -0.270 0.888 4.120 -4.937 0.000 0.248 106 V C 1.677 177.776 176.094 0.008 0.000 1.055 106 V CA 1.857 64.165 62.300 0.013 0.000 1.049 106 V CB -0.742 31.087 31.823 0.010 0.000 0.662 106 V HN 0.401 nan 8.190 nan 0.000 0.455 107 D N -0.367 120.040 120.400 0.012 0.000 2.183 107 D HA -0.112 1.566 4.640 -4.937 0.000 0.203 107 D C 2.232 178.533 176.300 0.001 0.000 0.969 107 D CA 0.850 54.854 54.000 0.006 0.000 0.842 107 D CB -0.148 40.657 40.800 0.009 0.000 0.957 107 D HN 0.519 nan 8.370 nan 0.000 0.484 108 E N 0.121 120.322 120.200 0.002 0.000 2.150 108 E HA -0.082 1.306 4.350 -4.937 0.000 0.193 108 E C 2.198 178.794 176.600 -0.008 0.000 0.985 108 E CA 0.413 56.808 56.400 -0.008 0.000 0.814 108 E CB 0.115 29.806 29.700 -0.016 0.000 0.752 108 E HN 0.360 nan 8.360 nan 0.000 0.466 109 I N 0.988 121.556 120.570 -0.003 0.000 2.333 109 I HA -0.184 1.024 4.170 -4.937 0.000 0.246 109 I C 2.271 178.385 176.117 -0.005 0.000 1.106 109 I CA 0.848 62.147 61.300 -0.003 0.000 1.411 109 I CB 0.021 38.021 38.000 -0.000 0.000 1.082 109 I HN -0.018 nan 8.210 nan 0.000 0.420 110 E N 0.233 120.430 120.200 -0.005 0.000 2.102 110 E HA -0.081 1.307 4.350 -4.937 0.000 0.190 110 E C 2.106 178.702 176.600 -0.006 0.000 0.971 110 E CA 0.747 57.143 56.400 -0.007 0.000 0.821 110 E CB 0.006 29.702 29.700 -0.007 0.000 0.777 110 E HN 0.459 nan 8.360 nan 0.000 0.460 111 Q N -0.128 119.668 119.800 -0.006 0.000 2.287 111 Q HA 0.256 1.633 4.340 -4.937 0.000 0.201 111 Q C 1.107 177.102 176.000 -0.009 0.000 0.946 111 Q CA 0.924 56.724 55.803 -0.007 0.000 0.868 111 Q CB 0.926 29.660 28.738 -0.006 0.000 0.967 111 Q HN 0.200 nan 8.270 nan 0.000 0.516 112 G N 0.833 109.627 108.800 -0.011 0.000 2.361 112 G HA2 0.296 1.294 3.960 -4.937 0.000 0.305 112 G HA3 0.296 1.294 3.960 -4.937 0.000 0.305 112 G C -1.535 173.352 174.900 -0.021 0.000 1.367 112 G CA -0.513 44.578 45.100 -0.014 0.000 0.951 112 G HN 0.164 nan 8.290 nan 0.000 0.615 113 I N -3.182 117.372 120.570 -0.027 0.000 2.689 113 I HA 0.752 1.960 4.170 -4.937 0.000 0.299 113 I C -0.116 175.974 176.117 -0.045 0.000 1.059 113 I CA -0.893 60.383 61.300 -0.040 0.000 1.055 113 I CB 2.306 40.278 38.000 -0.047 0.000 1.243 113 I HN 0.474 nan 8.210 nan 0.000 0.425 114 D N 3.641 124.007 120.400 -0.057 0.000 2.811 114 D HA -0.210 1.468 4.640 -4.937 0.000 0.231 114 D C 1.191 177.464 176.300 -0.045 0.000 1.157 114 D CA 1.777 55.741 54.000 -0.061 0.000 0.716 114 D CB -1.344 39.411 40.800 -0.076 0.000 1.077 114 D HN 1.483 nan 8.370 nan 0.000 0.428 115 G N -1.085 107.694 108.800 -0.034 0.000 2.155 115 G HA2 -0.318 0.680 3.960 -4.937 0.000 0.257 115 G HA3 -0.318 0.680 3.960 -4.937 0.000 0.257 115 G C 0.564 175.449 174.900 -0.025 0.000 0.983 115 G CA 1.624 46.708 45.100 -0.026 0.000 0.676 115 G HN 1.063 nan 8.290 nan 0.000 0.528 116 T N -3.138 111.400 114.554 -0.026 0.000 2.889 116 T HA 0.665 2.053 4.350 -4.937 0.000 0.278 116 T C 1.315 176.004 174.700 -0.018 0.000 0.995 116 T CA 0.421 62.508 62.100 -0.023 0.000 0.966 116 T CB 1.619 70.473 68.868 -0.024 0.000 1.237 116 T HN 0.295 nan 8.240 nan 0.000 0.591 117 E N 0.047 120.238 120.200 -0.015 0.000 2.385 117 E HA 0.048 1.436 4.350 -4.937 0.000 0.194 117 E C 0.692 177.286 176.600 -0.010 0.000 1.013 117 E CA -0.203 56.190 56.400 -0.012 0.000 0.866 117 E CB -0.315 29.379 29.700 -0.010 0.000 0.832 117 E HN 0.473 nan 8.360 nan 0.000 0.500 118 L N 2.290 123.506 121.223 -0.011 0.000 2.453 118 L HA 0.146 1.524 4.340 -4.937 0.000 0.272 118 L C -0.251 176.613 176.870 -0.010 0.000 1.182 118 L CA 0.416 55.251 54.840 -0.009 0.000 0.858 118 L CB 0.404 42.458 42.059 -0.009 0.000 1.120 118 L HN -0.131 nan 8.230 nan 0.000 0.474 119 K N 3.828 124.225 120.400 -0.006 0.000 2.267 119 K HA 0.752 2.109 4.320 -4.937 0.000 0.246 119 K C -0.778 175.820 176.600 -0.005 0.000 0.954 119 K CA -0.887 55.396 56.287 -0.007 0.000 0.824 119 K CB 1.634 34.132 32.500 -0.003 0.000 1.167 119 K HN 0.733 nan 8.250 nan 0.000 0.431 120 A N 0.753 123.568 122.820 -0.008 0.000 2.409 120 A HA 0.346 1.703 4.320 -4.937 0.000 0.262 120 A C 0.912 178.500 177.584 0.006 0.000 1.113 120 A CA 0.039 52.073 52.037 -0.005 0.000 0.790 120 A CB 0.077 19.071 19.000 -0.011 0.000 1.046 120 A HN 0.934 nan 8.150 nan 0.000 0.496 121 G N 1.245 110.054 108.800 0.015 0.000 3.126 121 G HA2 0.425 1.422 3.960 -4.937 0.000 0.224 121 G HA3 0.425 1.422 3.960 -4.937 0.000 0.224 121 G C 0.157 175.084 174.900 0.045 0.000 1.142 121 G CA 0.313 45.430 45.100 0.028 0.000 0.759 121 G HN 0.719 nan 8.290 nan 0.000 0.550 122 I N -0.069 120.529 120.570 0.046 0.000 2.841 122 I HA 0.435 1.643 4.170 -4.937 0.000 0.298 122 I C -1.397 174.746 176.117 0.044 0.000 1.304 122 I CA -1.312 60.031 61.300 0.072 0.000 1.019 122 I CB 2.721 40.810 38.000 0.149 0.000 1.282 122 I HN -0.182 nan 8.210 nan 0.000 0.432 123 I N 6.972 127.569 120.570 0.046 0.000 2.301 123 I HA 0.664 1.871 4.170 -4.937 0.000 0.292 123 I C 0.193 176.319 176.117 0.015 0.000 1.046 123 I CA 0.304 61.617 61.300 0.021 0.000 1.282 123 I CB 0.735 38.747 38.000 0.019 0.000 1.409 123 I HN 0.673 nan 8.210 nan 0.000 0.484 124 A N 5.477 128.300 122.820 0.004 0.000 2.438 124 A HA 0.414 1.772 4.320 -4.937 0.000 0.301 124 A C -1.159 176.424 177.584 -0.001 0.000 1.101 124 A CA -0.889 51.153 52.037 0.008 0.000 0.621 124 A CB 0.722 19.725 19.000 0.005 0.000 1.350 124 A HN 0.657 nan 8.150 nan 0.000 0.496 125 E N 1.006 121.208 120.200 0.003 0.000 2.159 125 E HA 0.396 1.784 4.350 -4.937 0.000 0.272 125 E C -0.124 176.583 176.600 0.179 0.000 1.138 125 E CA -0.176 56.279 56.400 0.091 0.000 0.915 125 E CB -0.211 29.605 29.700 0.193 0.000 1.028 125 E HN 0.693 nan 8.360 nan 0.000 0.423 126 I N 0.601 121.240 120.570 0.115 0.000 2.312 126 I HA 0.583 1.790 4.170 -4.937 0.000 0.291 126 I C 0.139 176.435 176.117 0.299 0.000 1.031 126 I CA -0.572 60.782 61.300 0.091 0.000 1.293 126 I CB 1.108 38.925 38.000 -0.304 0.000 1.403 126 I HN 0.472 nan 8.210 nan 0.000 0.484 127 G N 4.021 113.094 108.800 0.455 0.000 2.600 127 G HA2 0.758 1.756 3.960 -4.937 0.000 0.303 127 G HA3 0.758 1.756 3.960 -4.937 0.000 0.303 127 G C -0.658 174.504 174.900 0.438 0.000 1.253 127 G CA -0.593 44.809 45.100 0.503 0.000 0.974 127 G HN 0.768 nan 8.290 nan 0.000 0.483 128 T N -2.245 112.487 114.554 0.297 0.000 2.930 128 T HA 0.722 2.110 4.350 -4.937 0.000 0.290 128 T C 0.280 175.015 174.700 0.058 0.000 1.052 128 T CA -0.571 61.584 62.100 0.091 0.000 1.017 128 T CB 1.624 70.461 68.868 -0.051 0.000 1.137 128 T HN 0.441 nan 8.240 nan 0.000 0.511 129 S N 0.181 115.877 115.700 -0.007 0.000 2.655 129 S HA 0.278 1.786 4.470 -4.937 0.000 0.265 129 S C 0.147 174.760 174.600 0.022 0.000 1.240 129 S CA -0.805 57.388 58.200 -0.010 0.000 0.986 129 S CB 0.392 63.572 63.200 -0.033 0.000 0.985 129 S HN 0.858 nan 8.310 nan 0.000 0.562 130 E N 0.055 120.284 120.200 0.050 0.000 2.299 130 E HA 0.341 1.729 4.350 -4.937 0.000 0.272 130 E C 0.981 177.604 176.600 0.040 0.000 1.043 130 E CA 0.453 56.903 56.400 0.083 0.000 0.895 130 E CB -0.240 29.563 29.700 0.172 0.000 1.011 130 E HN 0.874 nan 8.360 nan 0.000 0.432 131 G N 4.315 113.129 108.800 0.023 0.000 2.189 131 G HA2 -0.334 0.664 3.960 -4.937 0.000 0.267 131 G HA3 -0.334 0.664 3.960 -4.937 0.000 0.267 131 G C -0.106 174.789 174.900 -0.009 0.000 0.975 131 G CA 1.019 46.121 45.100 0.004 0.000 0.644 131 G HN 0.669 nan 8.290 nan 0.000 0.537 132 K N -1.278 119.114 120.400 -0.014 0.000 2.597 132 K HA 0.704 2.062 4.320 -4.937 0.000 0.282 132 K C -1.212 175.363 176.600 -0.041 0.000 0.975 132 K CA -1.322 54.949 56.287 -0.026 0.000 0.867 132 K CB 1.133 33.622 32.500 -0.017 0.000 1.465 132 K HN 0.158 nan 8.250 nan 0.000 0.417 133 I N 3.087 123.623 120.570 -0.056 0.000 2.354 133 I HA 0.155 1.363 4.170 -4.937 0.000 0.286 133 I C 0.378 176.475 176.117 -0.034 0.000 1.007 133 I CA -0.751 60.501 61.300 -0.080 0.000 1.167 133 I CB 1.775 39.687 38.000 -0.147 0.000 1.320 133 I HN 0.860 nan 8.210 nan 0.000 0.458 134 T N 2.980 117.533 114.554 -0.002 0.000 2.813 134 T HA 0.207 1.595 4.350 -4.937 0.000 0.297 134 T C -1.846 172.879 174.700 0.043 0.000 1.036 134 T CA -1.282 60.833 62.100 0.025 0.000 1.044 134 T CB 1.044 69.939 68.868 0.046 0.000 0.993 134 T HN 0.267 nan 8.240 nan 0.000 0.535 135 P HA 0.041 nan 4.420 nan 0.000 0.218 135 P C 1.586 178.917 177.300 0.051 0.000 1.149 135 P CA 0.800 63.920 63.100 0.035 0.000 0.817 135 P CB -0.041 31.673 31.700 0.024 0.000 0.785 136 L N -0.886 120.394 121.223 0.096 0.000 2.109 136 L HA -0.118 1.260 4.340 -4.937 0.000 0.207 136 L C 2.263 179.242 176.870 0.182 0.000 1.086 136 L CA 1.406 56.308 54.840 0.104 0.000 0.760 136 L CB -0.714 41.464 42.059 0.199 0.000 0.910 136 L HN 0.005 nan 8.230 nan 0.000 0.437 137 E N 0.023 120.421 120.200 0.330 0.000 2.072 137 E HA -0.264 1.123 4.350 -4.937 0.000 0.191 137 E C 2.020 178.780 176.600 0.267 0.000 0.985 137 E CA 1.086 57.725 56.400 0.399 0.000 0.801 137 E CB 0.010 29.867 29.700 0.261 0.000 0.750 137 E HN 0.399 nan 8.360 nan 0.000 0.452 138 E N 1.407 121.670 120.200 0.104 0.000 2.085 138 E HA -0.285 1.102 4.350 -4.937 0.000 0.194 138 E C 2.081 178.734 176.600 0.088 0.000 0.994 138 E CA 1.283 57.717 56.400 0.058 0.000 0.801 138 E CB 0.042 29.753 29.700 0.018 0.000 0.743 138 E HN 0.035 nan 8.360 nan 0.000 0.453 139 K N 0.148 120.575 120.400 0.045 0.000 2.057 139 K HA -0.123 1.235 4.320 -4.937 0.000 0.207 139 K C 2.063 178.656 176.600 -0.011 0.000 1.049 139 K CA 1.344 57.622 56.287 -0.015 0.000 0.931 139 K CB 0.042 32.504 32.500 -0.064 0.000 0.714 139 K HN 0.063 nan 8.250 nan 0.000 0.440 140 V N 0.970 120.897 119.914 0.021 0.000 2.427 140 V HA -0.202 0.955 4.120 -4.937 0.000 0.248 140 V C 2.022 178.181 176.094 0.108 0.000 1.051 140 V CA 1.545 63.863 62.300 0.029 0.000 1.048 140 V CB -0.536 31.307 31.823 0.032 0.000 0.666 140 V HN 0.232 nan 8.190 nan 0.000 0.456 141 F N -0.135 119.829 119.950 0.023 0.000 2.146 141 F HA -0.101 1.464 4.527 -4.937 0.000 0.298 141 F C 2.137 177.909 175.800 -0.048 0.000 1.096 141 F CA 1.510 59.524 58.000 0.023 0.000 1.275 141 F CB -0.469 38.552 39.000 0.036 0.000 1.008 141 F HN 0.063 nan 8.300 nan 0.000 0.480 142 I N -0.513 120.072 120.570 0.025 0.000 2.226 142 I HA -0.315 0.893 4.170 -4.937 0.000 0.245 142 I C 2.587 178.651 176.117 -0.088 0.000 1.100 142 I CA 1.198 62.370 61.300 -0.214 0.000 1.374 142 I CB -0.763 37.013 38.000 -0.373 0.000 1.057 142 I HN 0.086 nan 8.210 nan 0.000 0.413 143 A N 0.718 123.517 122.820 -0.035 0.000 1.933 143 A HA -0.163 1.195 4.320 -4.937 0.000 0.218 143 A C 2.537 180.131 177.584 0.017 0.000 1.175 143 A CA 1.857 53.892 52.037 -0.004 0.000 0.628 143 A CB -0.781 18.222 19.000 0.005 0.000 0.814 143 A HN 0.435 nan 8.150 nan 0.000 0.444 144 A N -0.154 122.666 122.820 0.000 0.000 1.898 144 A HA 0.190 1.548 4.320 -4.937 0.000 0.216 144 A C 2.505 180.114 177.584 0.042 0.000 1.181 144 A CA 1.978 54.011 52.037 -0.008 0.000 0.620 144 A CB -1.005 17.920 19.000 -0.125 0.000 0.819 144 A HN 1.046 nan 8.150 nan 0.000 0.442 145 A N -0.159 122.689 122.820 0.047 0.000 1.902 145 A HA -0.060 1.298 4.320 -4.937 0.000 0.217 145 A C 2.163 179.828 177.584 0.135 0.000 1.181 145 A CA 1.547 53.654 52.037 0.117 0.000 0.623 145 A CB -0.602 18.476 19.000 0.131 0.000 0.818 145 A HN 0.481 nan 8.150 nan 0.000 0.443 146 L N -0.998 120.273 121.223 0.080 0.000 2.093 146 L HA -0.147 1.231 4.340 -4.937 0.000 0.208 146 L C 3.067 179.968 176.870 0.052 0.000 1.085 146 L CA 0.983 55.862 54.840 0.066 0.000 0.755 146 L CB -0.572 41.513 42.059 0.043 0.000 0.904 146 L HN 0.430 nan 8.230 nan 0.000 0.435 147 A N -0.904 121.950 122.820 0.057 0.000 1.930 147 A HA -0.254 1.104 4.320 -4.937 0.000 0.217 147 A C 2.295 179.907 177.584 0.046 0.000 1.175 147 A CA 1.538 53.602 52.037 0.045 0.000 0.627 147 A CB -0.858 18.172 19.000 0.050 0.000 0.815 147 A HN 0.527 nan 8.150 nan 0.000 0.443 148 H N 0.090 119.160 119.070 0.001 0.000 2.363 148 H HA -0.082 1.511 4.556 -4.937 0.000 0.301 148 H C 1.501 176.828 175.328 -0.003 0.000 1.074 148 H CA 1.572 57.616 56.048 -0.006 0.000 1.354 148 H CB -0.125 29.635 29.762 -0.003 0.000 1.397 148 H HN 0.368 nan 8.280 nan 0.000 0.516 149 N N 0.662 119.292 118.700 -0.116 0.000 2.272 149 N HA -0.123 1.655 4.740 -4.937 0.000 0.185 149 N C 1.874 177.297 175.510 -0.145 0.000 1.014 149 N CA 0.877 53.840 53.050 -0.144 0.000 0.870 149 N CB -0.093 38.403 38.487 0.014 0.000 0.975 149 N HN 0.528 nan 8.380 nan 0.000 0.433 150 Q N -0.749 118.991 119.800 -0.101 0.000 2.204 150 Q HA 0.078 1.456 4.340 -4.937 0.000 0.198 150 Q C 1.896 177.840 176.000 -0.093 0.000 0.946 150 Q CA 1.321 57.079 55.803 -0.074 0.000 0.859 150 Q CB -0.350 28.368 28.738 -0.034 0.000 0.946 150 Q HN 0.596 nan 8.270 nan 0.000 0.474 151 T N -4.115 110.374 114.554 -0.109 0.000 3.015 151 T HA 0.305 1.693 4.350 -4.937 0.000 0.250 151 T C 1.455 176.076 174.700 -0.131 0.000 1.057 151 T CA 0.899 62.944 62.100 -0.092 0.000 1.066 151 T CB 0.528 69.367 68.868 -0.048 0.000 0.959 151 T HN 0.359 nan 8.240 nan 0.000 0.488 152 G N 2.040 110.689 108.800 -0.253 0.000 2.205 152 G HA2 -0.259 0.739 3.960 -4.937 0.000 0.261 152 G HA3 -0.259 0.739 3.960 -4.937 0.000 0.261 152 G C 0.248 175.097 174.900 -0.085 0.000 0.980 152 G CA -0.117 44.819 45.100 -0.274 0.000 0.632 152 G HN 0.614 nan 8.290 nan 0.000 0.533 153 R N 1.420 121.911 120.500 -0.015 0.000 2.590 153 R HA 0.324 1.702 4.340 -4.937 0.000 0.274 153 R C -1.828 174.546 176.300 0.123 0.000 1.061 153 R CA -1.860 54.256 56.100 0.025 0.000 1.081 153 R CB -0.165 30.146 30.300 0.017 0.000 0.984 153 R HN 0.348 nan 8.270 nan 0.000 0.448 154 P HA 0.164 nan 4.420 nan 0.000 0.272 154 P C -0.222 177.077 177.300 -0.000 0.000 1.240 154 P CA -0.089 62.929 63.100 -0.137 0.000 0.791 154 P CB 0.762 32.125 31.700 -0.562 0.000 0.978 155 I N 0.366 120.938 120.570 0.003 0.000 2.433 155 I HA 0.268 1.476 4.170 -4.937 0.000 0.292 155 I C 0.403 176.603 176.117 0.138 0.000 1.001 155 I CA -0.487 60.832 61.300 0.031 0.000 1.119 155 I CB 1.858 39.819 38.000 -0.065 0.000 1.289 155 I HN 0.242 nan 8.210 nan 0.000 0.438 156 S N 4.191 119.962 115.700 0.119 0.000 2.552 156 S HA 0.584 2.091 4.470 -4.937 0.000 0.314 156 S C -0.271 174.386 174.600 0.094 0.000 1.099 156 S CA -0.520 57.763 58.200 0.138 0.000 1.070 156 S CB 1.047 64.359 63.200 0.187 0.000 0.998 156 S HN 0.743 nan 8.310 nan 0.000 0.474 157 T N 1.587 116.203 114.554 0.103 0.000 2.923 157 T HA 0.541 1.929 4.350 -4.937 0.000 0.281 157 T C -0.546 174.246 174.700 0.154 0.000 0.995 157 T CA -0.585 61.606 62.100 0.152 0.000 0.985 157 T CB 1.106 70.110 68.868 0.227 0.000 1.114 157 T HN 0.797 nan 8.240 nan 0.000 0.548 158 H N 0.198 119.359 119.070 0.151 0.000 2.646 158 H HA 0.538 2.131 4.556 -4.937 0.000 0.328 158 H C -0.422 174.990 175.328 0.140 0.000 0.998 158 H CA -0.533 55.598 56.048 0.138 0.000 1.225 158 H CB 1.082 31.050 29.762 0.343 0.000 1.457 158 H HN 0.950 nan 8.280 nan 0.000 0.505 159 T N 2.436 116.842 114.554 -0.246 0.000 2.794 159 T HA 0.373 1.760 4.350 -4.937 0.000 0.280 159 T C -0.134 174.306 174.700 -0.433 0.000 0.987 159 T CA -1.105 60.890 62.100 -0.175 0.000 0.993 159 T CB 1.392 70.191 68.868 -0.114 0.000 0.939 159 T HN 0.518 nan 8.240 nan 0.000 0.449 160 S N 3.002 118.560 115.700 -0.236 0.000 2.405 160 S HA 0.370 1.877 4.470 -4.937 0.000 0.291 160 S C -0.297 174.164 174.600 -0.231 0.000 1.137 160 S CA -0.583 57.438 58.200 -0.298 0.000 1.061 160 S CB -1.068 62.117 63.200 -0.025 0.000 1.001 160 S HN 0.695 nan 8.310 nan 0.000 0.507 161 F N 1.319 121.131 119.950 -0.230 0.000 3.074 161 F HA -0.275 1.290 4.527 -4.936 0.000 0.287 161 F C 0.937 176.613 175.800 -0.207 0.000 0.932 161 F CA 0.484 58.341 58.000 -0.239 0.000 0.995 161 F CB -2.891 35.994 39.000 -0.192 0.000 0.966 161 F HN 0.680 nan 8.300 nan 0.000 0.721 162 S N -1.296 114.328 115.700 -0.126 0.000 3.682 162 S HA -0.161 1.347 4.470 -4.937 0.000 0.354 162 S C 0.480 175.033 174.600 -0.079 0.000 1.034 162 S CA 0.954 59.078 58.200 -0.127 0.000 1.084 162 S CB -1.454 61.637 63.200 -0.183 0.000 0.903 162 S HN 1.138 nan 8.310 nan 0.000 0.470 163 T N -2.232 112.290 114.554 -0.054 0.000 2.908 163 T HA 0.730 2.118 4.350 -4.937 0.000 0.290 163 T C 0.577 175.257 174.700 -0.034 0.000 1.034 163 T CA -0.669 61.412 62.100 -0.032 0.000 1.010 163 T CB 1.369 70.235 68.868 -0.003 0.000 1.068 163 T HN 0.286 nan 8.240 nan 0.000 0.481 164 M N -0.535 119.046 119.600 -0.032 0.000 2.908 164 M HA -0.175 1.342 4.480 -4.937 0.000 0.191 164 M C 1.358 177.638 176.300 -0.034 0.000 0.619 164 M CA 1.125 56.401 55.300 -0.040 0.000 0.709 164 M CB -2.775 29.791 32.600 -0.057 0.000 2.554 164 M HN 1.040 nan 8.290 nan 0.000 0.356 165 G N 0.117 108.905 108.800 -0.021 0.000 2.421 165 G HA2 -0.056 0.942 3.960 -4.937 0.000 0.216 165 G HA3 -0.056 0.942 3.960 -4.937 0.000 0.216 165 G C 1.369 176.276 174.900 0.013 0.000 1.171 165 G CA 0.986 46.087 45.100 0.001 0.000 0.775 165 G HN 0.380 nan 8.290 nan 0.000 0.543 166 L N 0.659 121.882 121.223 0.001 0.000 2.056 166 L HA 0.054 1.432 4.340 -4.937 0.000 0.207 166 L C 2.727 179.600 176.870 0.005 0.000 1.078 166 L CA 1.551 56.395 54.840 0.008 0.000 0.749 166 L CB -0.953 41.107 42.059 0.001 0.000 0.901 166 L HN 0.214 nan 8.230 nan 0.000 0.433 167 E N -0.954 119.236 120.200 -0.017 0.000 2.110 167 E HA -0.196 1.191 4.350 -4.937 0.000 0.193 167 E C 2.232 178.803 176.600 -0.048 0.000 0.988 167 E CA 0.878 57.258 56.400 -0.034 0.000 0.804 167 E CB -0.126 29.540 29.700 -0.058 0.000 0.745 167 E HN 0.521 nan 8.360 nan 0.000 0.458 168 Q N -0.068 119.699 119.800 -0.054 0.000 2.050 168 Q HA -0.109 1.269 4.340 -4.937 0.000 0.202 168 Q C 2.241 178.310 176.000 0.115 0.000 0.980 168 Q CA 1.059 56.842 55.803 -0.033 0.000 0.840 168 Q CB -0.142 28.654 28.738 0.098 0.000 0.898 168 Q HN 0.311 nan 8.270 nan 0.000 0.424 169 L N 0.118 121.399 121.223 0.096 0.000 2.046 169 L HA -0.174 1.204 4.340 -4.937 0.000 0.208 169 L C 2.560 179.482 176.870 0.088 0.000 1.077 169 L CA 0.926 55.826 54.840 0.101 0.000 0.747 169 L CB -0.698 41.405 42.059 0.072 0.000 0.896 169 L HN 0.219 nan 8.230 nan 0.000 0.432 170 A N 0.187 123.043 122.820 0.060 0.000 1.883 170 A HA -0.245 1.113 4.320 -4.937 0.000 0.217 170 A C 2.222 179.855 177.584 0.081 0.000 1.186 170 A CA 1.862 53.930 52.037 0.052 0.000 0.624 170 A CB -0.723 18.294 19.000 0.029 0.000 0.822 170 A HN 0.326 nan 8.150 nan 0.000 0.444 171 L N -0.188 121.094 121.223 0.097 0.000 1.994 171 L HA -0.111 1.267 4.340 -4.937 0.000 0.208 171 L C 2.326 179.363 176.870 0.278 0.000 1.071 171 L CA 1.800 56.743 54.840 0.171 0.000 0.745 171 L CB -0.583 41.540 42.059 0.107 0.000 0.892 171 L HN 0.410 nan 8.230 nan 0.000 0.431 172 L N -0.853 120.519 121.223 0.247 0.000 2.046 172 L HA -0.239 1.138 4.340 -4.937 0.000 0.208 172 L C 2.685 179.666 176.870 0.185 0.000 1.077 172 L CA 1.718 56.700 54.840 0.237 0.000 0.747 172 L CB -0.629 41.547 42.059 0.194 0.000 0.896 172 L HN 0.486 nan 8.230 nan 0.000 0.432 173 Q N 0.148 120.027 119.800 0.131 0.000 2.124 173 Q HA -0.203 1.175 4.340 -4.937 0.000 0.202 173 Q C 2.242 178.278 176.000 0.059 0.000 0.977 173 Q CA 1.615 57.470 55.803 0.087 0.000 0.850 173 Q CB -0.064 28.712 28.738 0.062 0.000 0.901 173 Q HN 0.508 nan 8.270 nan 0.000 0.429 174 A N -0.163 122.682 122.820 0.042 0.000 2.067 174 A HA -0.144 1.214 4.320 -4.937 0.000 0.219 174 A C 1.067 178.515 177.584 -0.228 0.000 1.158 174 A CA 1.023 53.011 52.037 -0.082 0.000 0.661 174 A CB -0.419 18.519 19.000 -0.104 0.000 0.801 174 A HN 0.483 nan 8.150 nan 0.000 0.452 175 H N -1.243 117.867 119.070 0.066 0.000 2.524 175 H HA 0.294 1.888 4.556 -4.937 0.000 0.299 175 H C 1.443 176.817 175.328 0.076 0.000 1.074 175 H CA 0.415 56.506 56.048 0.070 0.000 1.115 175 H CB -0.103 29.709 29.762 0.084 0.000 1.522 175 H HN 0.599 nan 8.280 nan 0.000 0.543 176 G N 1.101 109.965 108.800 0.108 0.000 2.148 176 G HA2 -0.291 0.706 3.960 -4.937 0.000 0.254 176 G HA3 -0.291 0.706 3.960 -4.937 0.000 0.254 176 G C 0.316 175.301 174.900 0.142 0.000 0.981 176 G CA 0.330 45.492 45.100 0.103 0.000 0.670 176 G HN 0.239 nan 8.290 nan 0.000 0.528 177 V N 1.202 121.209 119.914 0.154 0.000 2.530 177 V HA 0.375 1.533 4.120 -4.937 0.000 0.282 177 V C 0.583 176.737 176.094 0.099 0.000 1.048 177 V CA -0.378 62.011 62.300 0.148 0.000 0.997 177 V CB 1.721 33.572 31.823 0.048 0.000 0.987 177 V HN 0.368 nan 8.190 nan 0.000 0.477 178 D N 4.102 124.580 120.400 0.130 0.000 2.344 178 D HA 0.133 1.811 4.640 -4.937 0.000 0.253 178 D C 1.025 177.352 176.300 0.044 0.000 1.255 178 D CA -0.005 54.052 54.000 0.094 0.000 0.894 178 D CB 1.023 41.898 40.800 0.125 0.000 1.067 178 D HN 0.472 nan 8.370 nan 0.000 0.492 179 L N 2.935 124.191 121.223 0.056 0.000 2.450 179 L HA -0.167 1.211 4.340 -4.937 0.000 0.224 179 L C 2.219 179.164 176.870 0.126 0.000 1.149 179 L CA 0.876 55.758 54.840 0.070 0.000 0.816 179 L CB -0.516 41.584 42.059 0.069 0.000 0.932 179 L HN 0.396 nan 8.230 nan 0.000 0.449 180 S N -0.755 115.022 115.700 0.129 0.000 2.515 180 S HA -0.038 1.470 4.470 -4.937 0.000 0.231 180 S C 1.675 176.424 174.600 0.247 0.000 0.987 180 S CA 0.189 58.522 58.200 0.222 0.000 0.936 180 S CB -0.048 63.248 63.200 0.161 0.000 0.766 180 S HN 0.356 nan 8.310 nan 0.000 0.528 181 R N 0.982 121.532 120.500 0.082 0.000 2.427 181 R HA 0.432 1.810 4.340 -4.937 0.000 0.262 181 R C -0.615 175.679 176.300 -0.011 0.000 0.943 181 R CA -0.029 55.997 56.100 -0.123 0.000 1.081 181 R CB 0.060 30.283 30.300 -0.128 0.000 1.166 181 R HN 0.348 nan 8.270 nan 0.000 0.534 182 V N 0.365 120.427 119.914 0.247 0.000 2.604 182 V HA 0.385 1.543 4.120 -4.937 0.000 0.305 182 V C -0.086 176.186 176.094 0.296 0.000 1.043 182 V CA -0.749 61.700 62.300 0.247 0.000 0.888 182 V CB 2.379 34.267 31.823 0.108 0.000 0.995 182 V HN -0.016 nan 8.190 nan 0.000 0.429 183 T N 3.832 118.475 114.554 0.149 0.000 2.841 183 T HA 0.562 1.949 4.350 -4.937 0.000 0.285 183 T C -0.860 173.846 174.700 0.009 0.000 0.991 183 T CA -0.314 61.740 62.100 -0.075 0.000 0.966 183 T CB 1.233 69.751 68.868 -0.584 0.000 0.962 183 T HN 0.384 nan 8.240 nan 0.000 0.438 184 V N 5.426 125.352 119.914 0.019 0.000 2.408 184 V HA 0.573 1.730 4.120 -4.937 0.000 0.267 184 V C 1.295 177.352 176.094 -0.062 0.000 1.047 184 V CA -0.449 61.857 62.300 0.010 0.000 0.937 184 V CB 0.901 32.736 31.823 0.020 0.000 0.999 184 V HN 1.008 nan 8.190 nan 0.000 0.472 185 G N 2.716 111.429 108.800 -0.144 0.000 2.476 185 G HA2 0.475 1.472 3.960 -4.937 0.000 0.286 185 G HA3 0.475 1.472 3.960 -4.937 0.000 0.286 185 G C 0.018 174.604 174.900 -0.524 0.000 1.177 185 G CA -0.289 44.573 45.100 -0.396 0.000 0.870 185 G HN 0.936 nan 8.290 nan 0.000 0.528 186 H N -1.160 117.762 119.070 -0.246 0.000 2.826 186 H HA -0.146 1.447 4.556 -4.939 0.000 0.306 186 H C 1.220 176.368 175.328 -0.300 0.000 1.235 186 H CA 0.068 55.926 56.048 -0.316 0.000 1.150 186 H CB -2.056 27.449 29.762 -0.428 0.000 1.409 186 H HN 0.457 nan 8.280 nan 0.000 0.420 187 C N 0.491 119.663 119.300 -0.214 0.000 2.626 187 C HA -0.001 1.497 4.460 -4.937 0.000 0.266 187 C C 1.442 176.135 174.990 -0.495 0.000 1.317 187 C CA 0.558 59.407 59.018 -0.282 0.000 1.716 187 C CB -0.347 27.268 27.740 -0.207 0.000 1.819 187 C HN 0.671 nan 8.230 nan 0.000 0.578 188 D N 0.300 120.379 120.400 -0.535 0.000 3.035 188 D HA 0.130 1.808 4.640 -4.937 0.000 0.290 188 D C 0.424 176.449 176.300 -0.458 0.000 1.360 188 D CA -0.076 53.550 54.000 -0.623 0.000 0.862 188 D CB -0.478 39.912 40.800 -0.684 0.000 1.078 188 D HN 0.347 nan 8.370 nan 0.000 0.487 189 L N 0.071 120.971 121.223 -0.537 0.000 2.906 189 L HA 0.275 1.653 4.340 -4.937 0.000 0.255 189 L C 0.353 176.780 176.870 -0.738 0.000 1.166 189 L CA -0.095 54.474 54.840 -0.452 0.000 0.977 189 L CB 0.023 41.961 42.059 -0.203 0.000 1.313 189 L HN 0.127 nan 8.230 nan 0.000 0.549 190 K N -2.803 116.857 120.400 -1.234 0.000 2.735 190 K HA 0.240 1.598 4.320 -4.937 0.000 0.295 190 K C -1.689 174.516 176.600 -0.658 0.000 1.052 190 K CA -1.010 54.732 56.287 -0.907 0.000 0.853 190 K CB 0.746 33.056 32.500 -0.317 0.000 1.535 190 K HN -0.345 nan 8.250 nan 0.000 0.383 191 D N 1.420 121.750 120.400 -0.116 0.000 2.389 191 D HA 0.074 1.751 4.640 -4.937 0.000 0.263 191 D C -0.342 175.928 176.300 -0.049 0.000 1.255 191 D CA 0.509 54.537 54.000 0.047 0.000 0.914 191 D CB 0.432 41.299 40.800 0.111 0.000 1.116 191 D HN 0.541 nan 8.370 nan 0.000 0.502 192 N N 2.211 120.875 118.700 -0.060 0.000 2.305 192 N HA 0.016 1.794 4.740 -4.937 0.000 0.248 192 N C 1.002 176.508 175.510 -0.007 0.000 1.290 192 N CA -0.241 52.767 53.050 -0.070 0.000 0.873 192 N CB 0.111 38.499 38.487 -0.166 0.000 1.261 192 N HN 0.169 nan 8.380 nan 0.000 0.504 193 L N 1.047 122.297 121.223 0.044 0.000 2.012 193 L HA -0.148 1.230 4.340 -4.937 0.000 0.210 193 L C 1.810 178.710 176.870 0.051 0.000 1.073 193 L CA 2.201 57.087 54.840 0.077 0.000 0.748 193 L CB -0.497 41.620 42.059 0.097 0.000 0.891 193 L HN 0.309 nan 8.230 nan 0.000 0.431 194 D N -1.392 119.028 120.400 0.033 0.000 2.116 194 D HA -0.258 1.420 4.640 -4.937 0.000 0.193 194 D C 1.639 177.949 176.300 0.017 0.000 0.998 194 D CA 1.829 55.843 54.000 0.024 0.000 0.836 194 D CB -0.909 39.901 40.800 0.016 0.000 0.951 194 D HN 0.346 nan 8.370 nan 0.000 0.449 195 N N 0.251 118.955 118.700 0.007 0.000 2.270 195 N HA 0.014 1.792 4.740 -4.937 0.000 0.181 195 N C 2.140 177.656 175.510 0.010 0.000 1.016 195 N CA 0.342 53.393 53.050 0.001 0.000 0.870 195 N CB -0.213 38.265 38.487 -0.015 0.000 0.979 195 N HN 0.340 nan 8.380 nan 0.000 0.431 196 I N 0.755 121.337 120.570 0.021 0.000 2.226 196 I HA -0.240 0.968 4.170 -4.937 0.000 0.245 196 I C 1.870 178.013 176.117 0.044 0.000 1.100 196 I CA 0.906 62.233 61.300 0.046 0.000 1.374 196 I CB -0.156 37.903 38.000 0.098 0.000 1.057 196 I HN 0.078 nan 8.210 nan 0.000 0.413 197 L N 0.289 121.537 121.223 0.041 0.000 2.093 197 L HA -0.209 1.169 4.340 -4.937 0.000 0.208 197 L C 2.475 179.354 176.870 0.015 0.000 1.085 197 L CA 1.425 56.282 54.840 0.028 0.000 0.755 197 L CB -0.536 41.541 42.059 0.030 0.000 0.904 197 L HN 0.160 nan 8.230 nan 0.000 0.435 198 K N -0.364 120.045 120.400 0.015 0.000 2.148 198 K HA -0.116 1.242 4.320 -4.937 0.000 0.204 198 K C 2.139 178.745 176.600 0.010 0.000 1.050 198 K CA 1.269 57.562 56.287 0.011 0.000 0.942 198 K CB -0.101 32.405 32.500 0.009 0.000 0.724 198 K HN 0.270 nan 8.250 nan 0.000 0.446 199 M N 0.270 119.878 119.600 0.013 0.000 2.156 199 M HA -0.107 1.411 4.480 -4.937 0.000 0.264 199 M C 2.103 178.405 176.300 0.004 0.000 1.067 199 M CA 1.476 56.786 55.300 0.016 0.000 1.131 199 M CB -0.206 32.406 32.600 0.021 0.000 1.368 199 M HN 0.093 nan 8.290 nan 0.000 0.416 200 I N 0.301 120.867 120.570 -0.007 0.000 2.286 200 I HA -0.296 0.911 4.170 -4.937 0.000 0.248 200 I C 1.754 177.850 176.117 -0.035 0.000 1.115 200 I CA 1.027 62.303 61.300 -0.039 0.000 1.392 200 I CB -0.529 37.447 38.000 -0.040 0.000 1.065 200 I HN 0.260 nan 8.210 nan 0.000 0.418 201 D N 0.889 121.281 120.400 -0.014 0.000 2.144 201 D HA -0.146 1.532 4.640 -4.937 0.000 0.199 201 D C 2.193 178.490 176.300 -0.004 0.000 0.984 201 D CA 1.256 55.250 54.000 -0.009 0.000 0.834 201 D CB -0.230 40.569 40.800 -0.001 0.000 0.955 201 D HN 0.325 nan 8.370 nan 0.000 0.465 202 L N -0.446 120.779 121.223 0.003 0.000 2.551 202 L HA 0.028 1.406 4.340 -4.937 0.000 0.228 202 L C 1.602 178.482 176.870 0.017 0.000 1.153 202 L CA 0.726 55.574 54.840 0.014 0.000 0.851 202 L CB -0.131 41.943 42.059 0.024 0.000 0.959 202 L HN 0.192 nan 8.230 nan 0.000 0.451 203 G N -0.928 107.872 108.800 -0.001 0.000 2.176 203 G HA2 -0.213 0.785 3.960 -4.937 0.000 0.232 203 G HA3 -0.213 0.785 3.960 -4.937 0.000 0.232 203 G C 0.303 175.210 174.900 0.012 0.000 0.986 203 G CA -0.067 45.031 45.100 -0.003 0.000 0.643 203 G HN 0.492 nan 8.290 nan 0.000 0.522 204 A N -0.674 122.158 122.820 0.020 0.000 2.257 204 A HA 0.810 2.168 4.320 -4.937 0.000 0.289 204 A C -0.249 177.329 177.584 -0.010 0.000 1.095 204 A CA -0.423 51.665 52.037 0.085 0.000 0.836 204 A CB 0.631 19.685 19.000 0.090 0.000 1.111 204 A HN 0.606 nan 8.150 nan 0.000 0.497 205 Y N -0.787 119.493 120.300 -0.032 0.000 2.352 205 Y HA 0.458 2.044 4.550 -4.940 0.000 0.326 205 Y C 0.594 176.437 175.900 -0.094 0.000 1.166 205 Y CA -0.274 57.758 58.100 -0.114 0.000 1.182 205 Y CB 1.779 40.031 38.460 -0.347 0.000 1.216 205 Y HN 0.601 nan 8.280 nan 0.000 0.474 206 V N -0.001 119.966 119.914 0.088 0.000 2.864 206 V HA 0.684 1.842 4.120 -4.937 0.000 0.314 206 V C -1.036 175.146 176.094 0.146 0.000 1.073 206 V CA -1.071 61.288 62.300 0.098 0.000 0.956 206 V CB 1.947 33.849 31.823 0.132 0.000 1.023 206 V HN 0.759 nan 8.190 nan 0.000 0.435 207 Q N 1.977 121.857 119.800 0.134 0.000 2.337 207 Q HA 0.581 1.958 4.340 -4.937 0.000 0.270 207 Q C -1.851 174.289 176.000 0.233 0.000 1.043 207 Q CA -0.455 55.452 55.803 0.174 0.000 0.794 207 Q CB 2.770 31.543 28.738 0.058 0.000 1.281 207 Q HN 0.771 nan 8.270 nan 0.000 0.446 208 F N 2.710 122.654 119.950 -0.010 0.000 2.359 208 F HA 0.168 1.734 4.527 -4.935 0.000 0.355 208 F C 0.132 175.899 175.800 -0.056 0.000 1.132 208 F CA -1.163 56.822 58.000 -0.024 0.000 1.246 208 F CB 0.401 39.398 39.000 -0.004 0.000 1.569 208 F HN 0.517 nan 8.300 nan 0.000 0.561 209 D N -2.073 118.362 120.400 0.057 0.000 2.440 209 D HA 0.027 1.704 4.640 -4.937 0.000 0.216 209 D C 1.033 177.327 176.300 -0.010 0.000 1.150 209 D CA 0.121 54.138 54.000 0.028 0.000 0.832 209 D CB -0.439 40.359 40.800 -0.003 0.000 0.992 209 D HN 0.311 nan 8.370 nan 0.000 0.502 210 T N -1.724 112.802 114.554 -0.046 0.000 3.248 210 T HA 0.339 1.727 4.350 -4.937 0.000 0.271 210 T C 0.579 175.223 174.700 -0.093 0.000 1.005 210 T CA -0.601 61.457 62.100 -0.070 0.000 0.902 210 T CB -0.773 68.038 68.868 -0.095 0.000 1.102 210 T HN 0.054 nan 8.240 nan 0.000 0.548 211 I N 2.106 122.582 120.570 -0.156 0.000 2.752 211 I HA 0.316 1.523 4.170 -4.937 0.000 0.289 211 I C 1.611 177.575 176.117 -0.255 0.000 1.197 211 I CA 1.480 62.610 61.300 -0.283 0.000 1.432 211 I CB 0.164 37.860 38.000 -0.507 0.000 1.359 211 I HN 0.632 nan 8.210 nan 0.000 0.571 212 G N 4.820 113.448 108.800 -0.287 0.000 2.234 212 G HA2 -0.268 0.730 3.960 -4.937 0.000 0.235 212 G HA3 -0.268 0.730 3.960 -4.937 0.000 0.235 212 G C 0.487 175.035 174.900 -0.588 0.000 0.997 212 G CA -0.395 44.298 45.100 -0.679 0.000 0.623 212 G HN 0.600 nan 8.290 nan 0.000 0.514 213 K N 1.520 121.754 120.400 -0.276 0.000 2.751 213 K HA 0.244 1.601 4.320 -4.937 0.000 0.252 213 K C 0.867 177.450 176.600 -0.029 0.000 1.277 213 K CA -0.428 55.791 56.287 -0.114 0.000 1.226 213 K CB -0.012 32.571 32.500 0.137 0.000 1.658 213 K HN 0.219 nan 8.250 nan 0.000 0.303 214 N N 0.327 118.953 118.700 -0.123 0.000 2.453 214 N HA -0.087 1.691 4.740 -4.937 0.000 0.183 214 N C 0.890 176.369 175.510 -0.051 0.000 1.041 214 N CA 0.812 53.823 53.050 -0.066 0.000 0.900 214 N CB 0.230 38.662 38.487 -0.092 0.000 0.961 214 N HN 0.153 nan 8.380 nan 0.000 0.443 215 S N -0.036 115.590 115.700 -0.124 0.000 2.522 215 S HA 0.039 1.547 4.470 -4.937 0.000 0.227 215 S C 0.982 175.542 174.600 -0.065 0.000 0.986 215 S CA 0.291 58.407 58.200 -0.141 0.000 0.929 215 S CB -0.012 63.044 63.200 -0.240 0.000 0.769 215 S HN 0.353 nan 8.310 nan 0.000 0.529 216 Y N -0.800 119.530 120.300 0.050 0.000 2.353 216 Y HA 0.408 1.994 4.550 -4.939 0.000 0.294 216 Y C 0.313 176.312 175.900 0.165 0.000 1.135 216 Y CA -0.418 57.739 58.100 0.096 0.000 1.176 216 Y CB 0.200 38.736 38.460 0.127 0.000 1.124 216 Y HN 0.230 nan 8.280 nan 0.000 0.537 217 Y N 0.912 121.302 120.300 0.150 0.000 2.474 217 Y HA 0.419 2.005 4.550 -4.940 0.000 0.326 217 Y C -3.072 172.853 175.900 0.042 0.000 1.160 217 Y CA -3.270 54.871 58.100 0.068 0.000 1.056 217 Y CB 1.812 40.300 38.460 0.046 0.000 1.330 217 Y HN -0.225 nan 8.280 nan 0.000 0.447 218 P HA 0.121 nan 4.420 nan 0.000 0.275 218 P C -0.223 176.957 177.300 -0.201 0.000 1.227 218 P CA 0.234 63.191 63.100 -0.239 0.000 0.781 218 P CB 1.425 32.989 31.700 -0.227 0.000 0.906 219 D N 1.478 121.875 120.400 -0.005 0.000 2.182 219 D HA -0.189 1.489 4.640 -4.937 0.000 0.201 219 D C 1.642 178.042 176.300 0.166 0.000 0.986 219 D CA 1.337 55.449 54.000 0.188 0.000 0.847 219 D CB -0.163 40.828 40.800 0.320 0.000 0.942 219 D HN 0.610 nan 8.370 nan 0.000 0.467 220 E N 0.703 120.911 120.200 0.013 0.000 2.118 220 E HA -0.193 1.194 4.350 -4.937 0.000 0.195 220 E C 1.600 178.177 176.600 -0.039 0.000 0.992 220 E CA 1.006 57.388 56.400 -0.030 0.000 0.804 220 E CB 0.170 29.830 29.700 -0.066 0.000 0.741 220 E HN 0.169 nan 8.360 nan 0.000 0.458 221 K N -0.181 120.136 120.400 -0.139 0.000 2.228 221 K HA 0.001 1.358 4.320 -4.937 0.000 0.202 221 K C 2.281 178.960 176.600 0.131 0.000 1.051 221 K CA 0.454 56.666 56.287 -0.125 0.000 0.960 221 K CB 0.089 32.303 32.500 -0.476 0.000 0.743 221 K HN 0.055 nan 8.250 nan 0.000 0.458 222 R N 0.721 121.350 120.500 0.215 0.000 2.075 222 R HA -0.031 1.346 4.340 -4.937 0.000 0.232 222 R C 2.246 178.834 176.300 0.481 0.000 1.126 222 R CA 1.163 57.564 56.100 0.503 0.000 0.963 222 R CB -0.309 30.291 30.300 0.500 0.000 0.858 222 R HN 0.161 nan 8.270 nan 0.000 0.435 223 I N 0.660 121.412 120.570 0.302 0.000 2.286 223 I HA -0.255 0.953 4.170 -4.937 0.000 0.248 223 I C 2.583 178.807 176.117 0.178 0.000 1.115 223 I CA 1.120 62.494 61.300 0.123 0.000 1.392 223 I CB -0.371 37.587 38.000 -0.070 0.000 1.065 223 I HN 0.202 nan 8.210 nan 0.000 0.418 224 A N 0.616 123.520 122.820 0.140 0.000 1.902 224 A HA -0.215 1.143 4.320 -4.937 0.000 0.217 224 A C 2.363 180.084 177.584 0.229 0.000 1.181 224 A CA 1.547 53.659 52.037 0.125 0.000 0.623 224 A CB -0.507 18.535 19.000 0.071 0.000 0.818 224 A HN 0.324 nan 8.150 nan 0.000 0.443 225 M N -0.766 119.015 119.600 0.301 0.000 2.175 225 M HA -0.047 1.471 4.480 -4.937 0.000 0.264 225 M C 2.063 178.532 176.300 0.281 0.000 1.063 225 M CA 1.116 56.630 55.300 0.356 0.000 1.119 225 M CB -0.458 32.467 32.600 0.542 0.000 1.377 225 M HN 0.376 nan 8.290 nan 0.000 0.415 226 L N -1.154 120.178 121.223 0.182 0.000 2.093 226 L HA -0.226 1.152 4.340 -4.937 0.000 0.208 226 L C 2.296 179.312 176.870 0.244 0.000 1.085 226 L CA 1.240 56.080 54.840 -0.000 0.000 0.755 226 L CB -0.774 41.150 42.059 -0.225 0.000 0.904 226 L HN 0.300 nan 8.230 nan 0.000 0.435 227 H N -0.576 118.621 119.070 0.211 0.000 2.353 227 H HA -0.096 1.499 4.556 -4.935 0.000 0.300 227 H C 2.251 177.680 175.328 0.169 0.000 1.090 227 H CA 1.474 57.697 56.048 0.291 0.000 1.327 227 H CB -0.040 29.838 29.762 0.194 0.000 1.383 227 H HN 0.324 nan 8.280 nan 0.000 0.508 228 A N 0.378 123.347 122.820 0.250 0.000 1.902 228 A HA -0.119 1.239 4.320 -4.937 0.000 0.217 228 A C 2.306 179.956 177.584 0.111 0.000 1.181 228 A CA 1.320 53.452 52.037 0.159 0.000 0.623 228 A CB -0.732 18.359 19.000 0.151 0.000 0.818 228 A HN 0.355 nan 8.150 nan 0.000 0.443 229 L N -1.183 120.108 121.223 0.113 0.000 2.141 229 L HA -0.125 1.253 4.340 -4.937 0.000 0.209 229 L C 2.777 179.658 176.870 0.019 0.000 1.094 229 L CA 1.501 56.377 54.840 0.061 0.000 0.763 229 L CB -0.427 41.656 42.059 0.039 0.000 0.908 229 L HN 0.458 nan 8.230 nan 0.000 0.437 230 R N 0.339 120.849 120.500 0.016 0.000 2.073 230 R HA -0.153 1.225 4.340 -4.937 0.000 0.229 230 R C 1.639 177.882 176.300 -0.095 0.000 1.120 230 R CA 1.675 57.705 56.100 -0.117 0.000 0.967 230 R CB -0.098 29.985 30.300 -0.362 0.000 0.862 230 R HN 0.285 nan 8.270 nan 0.000 0.436 231 D N 0.249 120.629 120.400 -0.033 0.000 2.263 231 D HA -0.118 1.560 4.640 -4.937 0.000 0.208 231 D C 1.277 177.570 176.300 -0.011 0.000 0.971 231 D CA 1.040 55.031 54.000 -0.015 0.000 0.867 231 D CB -0.010 40.809 40.800 0.032 0.000 0.929 231 D HN 0.268 nan 8.370 nan 0.000 0.492 232 R N -0.642 119.856 120.500 -0.004 0.000 2.334 232 R HA 0.260 1.638 4.340 -4.937 0.000 0.216 232 R C 1.076 177.365 176.300 -0.018 0.000 0.905 232 R CA 0.364 56.462 56.100 -0.002 0.000 1.064 232 R CB 0.599 30.907 30.300 0.014 0.000 1.046 232 R HN 0.045 nan 8.270 nan 0.000 0.508 233 G N 1.352 110.130 108.800 -0.036 0.000 2.221 233 G HA2 -0.257 0.741 3.960 -4.937 0.000 0.265 233 G HA3 -0.257 0.741 3.960 -4.937 0.000 0.265 233 G C 0.337 175.212 174.900 -0.041 0.000 1.041 233 G CA 0.066 45.139 45.100 -0.045 0.000 0.807 233 G HN 0.327 nan 8.290 nan 0.000 0.502 234 L N -0.916 120.285 121.223 -0.036 0.000 2.769 234 L HA 0.304 1.682 4.340 -4.937 0.000 0.240 234 L C 2.220 179.065 176.870 -0.041 0.000 1.163 234 L CA -0.594 54.223 54.840 -0.038 0.000 0.962 234 L CB 0.114 42.159 42.059 -0.023 0.000 1.258 234 L HN 0.180 nan 8.230 nan 0.000 0.513 235 L N 1.490 122.690 121.223 -0.039 0.000 2.265 235 L HA -0.167 1.211 4.340 -4.937 0.000 0.215 235 L C 2.329 179.196 176.870 -0.006 0.000 1.117 235 L CA 1.346 56.172 54.840 -0.023 0.000 0.782 235 L CB -0.706 41.334 42.059 -0.031 0.000 0.914 235 L HN 0.531 nan 8.230 nan 0.000 0.441 236 N N -1.203 117.486 118.700 -0.019 0.000 2.571 236 N HA -0.138 1.639 4.740 -4.937 0.000 0.189 236 N C 1.175 176.653 175.510 -0.053 0.000 1.154 236 N CA 0.500 53.552 53.050 0.004 0.000 0.907 236 N CB -0.077 38.410 38.487 0.000 0.000 0.977 236 N HN 0.188 nan 8.380 nan 0.000 0.449 237 R N -0.133 120.295 120.500 -0.120 0.000 2.509 237 R HA 0.312 1.690 4.340 -4.937 0.000 0.297 237 R C -0.520 175.754 176.300 -0.045 0.000 0.951 237 R CA -0.181 55.738 56.100 -0.302 0.000 1.103 237 R CB 0.692 30.780 30.300 -0.354 0.000 1.283 237 R HN 0.065 nan 8.270 nan 0.000 0.534 238 V N 2.334 122.267 119.914 0.031 0.000 2.435 238 V HA 0.487 1.645 4.120 -4.937 0.000 0.290 238 V C 0.251 176.400 176.094 0.091 0.000 1.030 238 V CA -0.269 62.060 62.300 0.049 0.000 0.881 238 V CB 1.962 33.741 31.823 -0.073 0.000 0.983 238 V HN 0.013 nan 8.190 nan 0.000 0.445 239 M N 5.220 124.888 119.600 0.113 0.000 2.644 239 M HA 0.676 2.194 4.480 -4.937 0.000 0.304 239 M C -1.249 175.126 176.300 0.125 0.000 1.215 239 M CA -0.558 54.814 55.300 0.120 0.000 0.871 239 M CB 2.537 35.210 32.600 0.121 0.000 1.740 239 M HN 0.377 nan 8.290 nan 0.000 0.464 240 L N -0.262 121.029 121.223 0.114 0.000 2.301 240 L HA 0.879 2.256 4.340 -4.937 0.000 0.264 240 L C -0.229 176.701 176.870 0.099 0.000 1.016 240 L CA -0.520 54.380 54.840 0.100 0.000 0.821 240 L CB 2.213 44.308 42.059 0.059 0.000 1.346 240 L HN 0.748 nan 8.230 nan 0.000 0.429 241 S N -0.687 115.058 115.700 0.075 0.000 2.663 241 S HA 0.471 1.979 4.470 -4.937 0.000 0.264 241 S C -0.284 174.348 174.600 0.053 0.000 1.112 241 S CA -0.525 57.732 58.200 0.095 0.000 0.823 241 S CB 1.573 64.866 63.200 0.156 0.000 1.111 241 S HN 0.556 nan 8.310 nan 0.000 0.476 242 M N 1.097 120.751 119.600 0.090 0.000 2.571 242 M HA 0.302 1.820 4.480 -4.937 0.000 0.259 242 M C 0.189 176.521 176.300 0.054 0.000 1.205 242 M CA 0.707 56.039 55.300 0.054 0.000 1.138 242 M CB -1.173 31.473 32.600 0.077 0.000 1.329 242 M HN 0.853 nan 8.290 nan 0.000 0.503 243 D N 2.061 122.547 120.400 0.143 0.000 2.705 243 D HA -0.149 1.528 4.640 -4.937 0.000 0.240 243 D C -0.717 175.702 176.300 0.198 0.000 1.137 243 D CA 0.122 54.270 54.000 0.246 0.000 0.677 243 D CB -0.733 40.151 40.800 0.140 0.000 1.049 243 D HN 0.096 nan 8.370 nan 0.000 0.427 244 I N 1.100 121.734 120.570 0.107 0.000 2.668 244 I HA 0.074 1.281 4.170 -4.937 0.000 0.285 244 I C 2.102 178.376 176.117 0.262 0.000 1.168 244 I CA 1.300 62.615 61.300 0.026 0.000 1.424 244 I CB 0.383 38.086 38.000 -0.495 0.000 1.377 244 I HN 0.436 nan 8.210 nan 0.000 0.560 245 T N 3.767 118.519 114.554 0.329 0.000 2.993 245 T HA 0.301 1.688 4.350 -4.937 0.000 0.260 245 T C 0.727 175.369 174.700 -0.096 0.000 0.939 245 T CA -0.353 61.797 62.100 0.082 0.000 0.886 245 T CB 0.565 69.451 68.868 0.030 0.000 1.209 245 T HN 0.496 nan 8.240 nan 0.000 0.518 246 R N 0.419 120.728 120.500 -0.318 0.000 2.803 246 R HA 0.637 2.014 4.340 -4.937 0.000 0.276 246 R C 0.792 176.898 176.300 -0.323 0.000 0.978 246 R CA -0.965 54.862 56.100 -0.455 0.000 0.939 246 R CB 1.677 31.521 30.300 -0.761 0.000 1.179 246 R HN -0.054 nan 8.270 nan 0.000 0.472 247 R N 0.268 120.662 120.500 -0.177 0.000 2.105 247 R HA -0.142 1.236 4.340 -4.937 0.000 0.239 247 R C 1.889 178.139 176.300 -0.083 0.000 1.135 247 R CA 2.085 58.148 56.100 -0.062 0.000 0.967 247 R CB -0.185 30.109 30.300 -0.010 0.000 0.861 247 R HN 0.675 nan 8.270 nan 0.000 0.442 248 S N -0.382 115.227 115.700 -0.152 0.000 2.500 248 S HA -0.138 1.369 4.470 -4.937 0.000 0.239 248 S C 1.385 175.932 174.600 -0.088 0.000 0.989 248 S CA 0.952 59.090 58.200 -0.104 0.000 0.951 248 S CB -0.473 62.675 63.200 -0.087 0.000 0.759 248 S HN 0.522 nan 8.310 nan 0.000 0.523 249 H N 0.546 119.485 119.070 -0.219 0.000 2.502 249 H HA 0.304 1.899 4.556 -4.935 0.000 0.283 249 H C 0.308 175.314 175.328 -0.537 0.000 1.015 249 H CA -0.091 55.650 56.048 -0.513 0.000 1.298 249 H CB 0.011 29.446 29.762 -0.546 0.000 1.411 249 H HN 0.330 nan 8.280 nan 0.000 0.556 250 L N 1.558 122.685 121.223 -0.160 0.000 2.426 250 L HA 0.009 1.387 4.340 -4.937 0.000 0.271 250 L C 1.314 178.099 176.870 -0.142 0.000 1.169 250 L CA -0.094 54.675 54.840 -0.118 0.000 0.836 250 L CB 0.966 43.030 42.059 0.008 0.000 1.112 250 L HN 0.183 nan 8.230 nan 0.000 0.465 251 K N 2.258 122.586 120.400 -0.121 0.000 2.103 251 K HA -0.185 1.173 4.320 -4.937 0.000 0.207 251 K C 1.879 178.369 176.600 -0.183 0.000 1.048 251 K CA 1.570 57.794 56.287 -0.106 0.000 0.930 251 K CB -0.166 32.305 32.500 -0.049 0.000 0.716 251 K HN 0.818 nan 8.250 nan 0.000 0.444 252 A N 1.672 124.278 122.820 -0.358 0.000 2.125 252 A HA -0.111 1.247 4.320 -4.937 0.000 0.219 252 A C 1.207 178.564 177.584 -0.378 0.000 1.156 252 A CA 1.223 52.912 52.037 -0.580 0.000 0.671 252 A CB -0.131 17.955 19.000 -1.524 0.000 0.794 252 A HN 0.237 nan 8.150 nan 0.000 0.459 253 N N -0.965 117.600 118.700 -0.224 0.000 2.238 253 N HA 0.246 2.024 4.740 -4.937 0.000 0.222 253 N C 0.893 176.371 175.510 -0.053 0.000 1.133 253 N CA 0.795 53.796 53.050 -0.082 0.000 0.854 253 N CB 0.679 39.156 38.487 -0.017 0.000 1.041 253 N HN 0.538 nan 8.380 nan 0.000 0.510 254 G N -0.263 108.499 108.800 -0.063 0.000 2.143 254 G HA2 -0.223 0.775 3.960 -4.937 0.000 0.249 254 G HA3 -0.223 0.775 3.960 -4.937 0.000 0.249 254 G C 0.560 175.458 174.900 -0.002 0.000 0.981 254 G CA 0.165 45.251 45.100 -0.023 0.000 0.665 254 G HN 0.583 nan 8.290 nan 0.000 0.528 255 G N -0.766 108.013 108.800 -0.036 0.000 2.543 255 G HA2 0.607 1.605 3.960 -4.937 0.000 0.267 255 G HA3 0.607 1.605 3.960 -4.937 0.000 0.267 255 G C 0.634 175.536 174.900 0.003 0.000 1.406 255 G CA 0.134 45.208 45.100 -0.044 0.000 1.048 255 G HN 0.824 nan 8.290 nan 0.000 0.548 256 Y N -2.045 118.226 120.300 -0.049 0.000 2.507 256 Y HA 0.480 2.063 4.550 -4.944 0.000 0.263 256 Y C 1.207 177.133 175.900 0.043 0.000 1.093 256 Y CA -0.391 57.694 58.100 -0.024 0.000 1.285 256 Y CB -0.623 37.688 38.460 -0.249 0.000 1.115 256 Y HN 1.100 nan 8.280 nan 0.000 0.533 257 G N 0.478 109.110 108.800 -0.280 0.000 2.846 257 G HA2 -0.318 0.680 3.960 -4.937 0.000 0.660 257 G HA3 -0.318 0.680 3.960 -4.937 0.000 0.660 257 G C -0.210 174.690 174.900 -0.001 0.000 1.464 257 G CA -0.041 44.995 45.100 -0.107 0.000 0.891 257 G HN 0.347 nan 8.290 nan 0.000 0.552 258 Y N 0.719 121.058 120.300 0.066 0.000 2.181 258 Y HA -0.088 1.494 4.550 -4.947 0.000 0.288 258 Y C 2.759 178.756 175.900 0.161 0.000 1.146 258 Y CA 2.095 60.262 58.100 0.112 0.000 1.164 258 Y CB -0.189 38.319 38.460 0.079 0.000 0.982 258 Y HN 0.706 nan 8.280 nan 0.000 0.515 259 D N -0.944 119.644 120.400 0.313 0.000 2.392 259 D HA -0.239 1.438 4.640 -4.937 0.000 0.228 259 D C 1.684 178.123 176.300 0.231 0.000 1.003 259 D CA 0.337 54.474 54.000 0.229 0.000 0.917 259 D CB -1.094 39.804 40.800 0.164 0.000 0.890 259 D HN 0.502 nan 8.370 nan 0.000 0.532 260 Y N 0.902 121.301 120.300 0.165 0.000 2.207 260 Y HA -0.194 1.393 4.550 -4.938 0.000 0.287 260 Y C 2.060 178.047 175.900 0.145 0.000 1.156 260 Y CA 1.273 59.470 58.100 0.161 0.000 1.182 260 Y CB -0.296 38.304 38.460 0.234 0.000 0.979 260 Y HN 0.072 nan 8.280 nan 0.000 0.521 261 L N 0.112 121.515 121.223 0.299 0.000 2.081 261 L HA -0.240 1.138 4.340 -4.937 0.000 0.212 261 L C 1.773 178.717 176.870 0.124 0.000 1.080 261 L CA 2.025 56.993 54.840 0.213 0.000 0.754 261 L CB -0.622 41.539 42.059 0.170 0.000 0.893 261 L HN 0.379 nan 8.230 nan 0.000 0.433 262 L N -1.852 119.423 121.223 0.087 0.000 2.408 262 L HA 0.031 1.409 4.340 -4.937 0.000 0.215 262 L C 2.269 179.144 176.870 0.008 0.000 1.081 262 L CA 0.935 55.808 54.840 0.054 0.000 0.840 262 L CB -0.674 41.443 42.059 0.096 0.000 1.002 262 L HN 0.386 nan 8.230 nan 0.000 0.468 263 T N -5.245 109.298 114.554 -0.018 0.000 3.043 263 T HA 0.022 1.410 4.350 -4.937 0.000 0.263 263 T C 1.463 176.075 174.700 -0.147 0.000 1.094 263 T CA 1.272 63.341 62.100 -0.051 0.000 1.127 263 T CB 0.066 68.924 68.868 -0.015 0.000 0.905 263 T HN 0.143 nan 8.240 nan 0.000 0.490 264 T N -0.030 114.345 114.554 -0.298 0.000 3.280 264 T HA 0.299 1.687 4.350 -4.937 0.000 0.256 264 T C 1.066 175.583 174.700 -0.304 0.000 0.995 264 T CA -0.153 61.691 62.100 -0.427 0.000 1.144 264 T CB -0.557 67.744 68.868 -0.945 0.000 1.140 264 T HN 0.198 nan 8.240 nan 0.000 0.423 265 F N 2.640 122.336 119.950 -0.424 0.000 2.075 265 F HA -0.061 1.491 4.527 -4.958 0.000 0.297 265 F C 1.973 177.693 175.800 -0.133 0.000 1.113 265 F CA 1.221 59.109 58.000 -0.186 0.000 1.218 265 F CB -0.349 38.623 39.000 -0.047 0.000 0.984 265 F HN -0.020 nan 8.300 nan 0.000 0.472 266 I N 0.911 121.449 120.570 -0.053 0.000 2.163 266 I HA -0.203 1.004 4.170 -4.937 0.000 0.243 266 I C -0.374 175.631 176.117 -0.186 0.000 1.085 266 I CA 1.618 62.838 61.300 -0.134 0.000 1.347 266 I CB -2.829 35.157 38.000 -0.024 0.000 1.044 266 I HN 0.111 nan 8.210 nan 0.000 0.408 267 P HA -0.176 nan 4.420 nan 0.000 0.215 267 P C 1.756 178.961 177.300 -0.157 0.000 1.153 267 P CA 1.509 64.540 63.100 -0.115 0.000 0.853 267 P CB -0.071 31.572 31.700 -0.094 0.000 0.788 268 Q N -1.331 118.329 119.800 -0.233 0.000 2.167 268 Q HA -0.140 1.238 4.340 -4.937 0.000 0.202 268 Q C 2.030 177.853 176.000 -0.295 0.000 0.970 268 Q CA 0.879 56.534 55.803 -0.245 0.000 0.855 268 Q CB -0.709 27.863 28.738 -0.276 0.000 0.911 268 Q HN 0.181 nan 8.270 nan 0.000 0.438 269 L N 0.854 121.808 121.223 -0.447 0.000 2.056 269 L HA -0.132 1.246 4.340 -4.937 0.000 0.207 269 L C 2.077 178.826 176.870 -0.202 0.000 1.078 269 L CA 1.679 56.234 54.840 -0.475 0.000 0.749 269 L CB -0.184 41.455 42.059 -0.699 0.000 0.901 269 L HN -0.002 nan 8.230 nan 0.000 0.433 270 R N -0.938 119.493 120.500 -0.116 0.000 2.092 270 R HA -0.138 1.240 4.340 -4.937 0.000 0.231 270 R C 2.202 178.513 176.300 0.019 0.000 1.119 270 R CA 1.614 57.719 56.100 0.009 0.000 0.970 270 R CB -0.343 29.959 30.300 0.004 0.000 0.864 270 R HN 0.537 nan 8.270 nan 0.000 0.440 271 Q N 0.155 119.938 119.800 -0.028 0.000 2.170 271 Q HA -0.112 1.266 4.340 -4.937 0.000 0.203 271 Q C 2.050 178.056 176.000 0.010 0.000 0.976 271 Q CA 1.829 57.622 55.803 -0.017 0.000 0.858 271 Q CB 0.028 28.738 28.738 -0.046 0.000 0.907 271 Q HN 0.336 nan 8.270 nan 0.000 0.433 272 S N -1.528 114.185 115.700 0.022 0.000 2.522 272 S HA 0.135 1.643 4.470 -4.937 0.000 0.227 272 S C 1.368 176.116 174.600 0.245 0.000 0.986 272 S CA 0.559 58.805 58.200 0.076 0.000 0.929 272 S CB 0.606 63.838 63.200 0.054 0.000 0.769 272 S HN 0.494 nan 8.310 nan 0.000 0.529 273 G N -0.417 108.525 108.800 0.237 0.000 2.370 273 G HA2 -0.065 0.933 3.960 -4.937 0.000 0.174 273 G HA3 -0.065 0.933 3.960 -4.937 0.000 0.174 273 G C -0.256 174.779 174.900 0.225 0.000 1.002 273 G CA -0.643 44.605 45.100 0.245 0.000 0.730 273 G HN 0.337 nan 8.290 nan 0.000 0.497 274 F N 3.351 123.262 119.950 -0.065 0.000 2.443 274 F HA 0.554 2.112 4.527 -4.947 0.000 0.353 274 F C 1.436 177.197 175.800 -0.065 0.000 1.101 274 F CA -0.315 57.616 58.000 -0.115 0.000 1.226 274 F CB 1.363 40.275 39.000 -0.148 0.000 1.140 274 F HN 0.229 nan 8.300 nan 0.000 0.557 275 S N 2.360 118.051 115.700 -0.014 0.000 2.603 275 S HA 0.133 1.641 4.470 -4.937 0.000 0.268 275 S C 0.857 175.482 174.600 0.042 0.000 1.317 275 S CA -0.689 57.508 58.200 -0.004 0.000 1.012 275 S CB 1.368 64.533 63.200 -0.058 0.000 0.926 275 S HN 0.649 nan 8.310 nan 0.000 0.539 276 Q N 1.552 121.381 119.800 0.047 0.000 2.224 276 Q HA 0.047 1.425 4.340 -4.937 0.000 0.203 276 Q C 2.059 178.103 176.000 0.074 0.000 0.970 276 Q CA 1.853 57.699 55.803 0.072 0.000 0.865 276 Q CB -0.933 27.848 28.738 0.071 0.000 0.922 276 Q HN 0.934 nan 8.270 nan 0.000 0.445 277 A N 0.277 123.121 122.820 0.039 0.000 1.902 277 A HA -0.182 1.176 4.320 -4.937 0.000 0.217 277 A C 1.744 179.346 177.584 0.030 0.000 1.181 277 A CA 1.756 53.815 52.037 0.035 0.000 0.623 277 A CB -0.618 18.386 19.000 0.006 0.000 0.818 277 A HN 0.409 nan 8.150 nan 0.000 0.443 278 D N -0.414 119.980 120.400 -0.010 0.000 2.144 278 D HA -0.080 1.597 4.640 -4.937 0.000 0.200 278 D C 2.051 178.404 176.300 0.089 0.000 0.978 278 D CA 1.199 55.179 54.000 -0.034 0.000 0.833 278 D CB -0.362 40.287 40.800 -0.252 0.000 0.961 278 D HN 0.186 nan 8.370 nan 0.000 0.470 279 V N 1.410 121.407 119.914 0.138 0.000 2.295 279 V HA -0.228 0.930 4.120 -4.937 0.000 0.246 279 V C 1.677 177.814 176.094 0.072 0.000 1.049 279 V CA 1.802 64.174 62.300 0.121 0.000 1.024 279 V CB -0.383 31.491 31.823 0.084 0.000 0.648 279 V HN 0.084 nan 8.190 nan 0.000 0.447 280 D N -0.291 120.181 120.400 0.120 0.000 2.218 280 D HA -0.112 1.566 4.640 -4.937 0.000 0.204 280 D C 2.093 178.485 176.300 0.154 0.000 0.976 280 D CA 0.901 55.015 54.000 0.190 0.000 0.853 280 D CB -0.288 40.643 40.800 0.218 0.000 0.939 280 D HN 0.308 nan 8.370 nan 0.000 0.481 281 V N 0.717 120.695 119.914 0.107 0.000 2.295 281 V HA -0.262 0.896 4.120 -4.937 0.000 0.246 281 V C 2.382 178.546 176.094 0.117 0.000 1.049 281 V CA 1.496 63.855 62.300 0.099 0.000 1.024 281 V CB -0.346 31.513 31.823 0.059 0.000 0.648 281 V HN 0.238 nan 8.190 nan 0.000 0.447 282 M N -1.116 118.543 119.600 0.098 0.000 2.156 282 M HA -0.049 1.469 4.480 -4.937 0.000 0.264 282 M C 2.095 178.454 176.300 0.099 0.000 1.067 282 M CA 1.774 57.130 55.300 0.094 0.000 1.131 282 M CB -0.292 32.346 32.600 0.064 0.000 1.368 282 M HN 0.229 nan 8.290 nan 0.000 0.416 283 L N -1.051 120.201 121.223 0.048 0.000 2.270 283 L HA -0.032 1.346 4.340 -4.937 0.000 0.210 283 L C 2.567 179.583 176.870 0.243 0.000 1.104 283 L CA 0.779 55.626 54.840 0.011 0.000 0.804 283 L CB -0.234 41.542 42.059 -0.472 0.000 0.937 283 L HN 0.304 nan 8.230 nan 0.000 0.450 284 R N -0.336 120.347 120.500 0.305 0.000 2.197 284 R HA 0.040 1.418 4.340 -4.937 0.000 0.188 284 R C 1.974 178.433 176.300 0.265 0.000 1.015 284 R CA 0.161 56.461 56.100 0.332 0.000 1.132 284 R CB 0.226 30.724 30.300 0.329 0.000 1.134 284 R HN 0.116 nan 8.270 nan 0.000 0.560 285 E N 0.842 121.170 120.200 0.212 0.000 2.017 285 E HA -0.162 1.226 4.350 -4.937 0.000 0.193 285 E C 1.629 178.343 176.600 0.190 0.000 0.997 285 E CA 1.471 57.978 56.400 0.180 0.000 0.804 285 E CB -0.101 29.683 29.700 0.140 0.000 0.757 285 E HN 0.285 nan 8.360 nan 0.000 0.448 286 N N 0.474 119.293 118.700 0.198 0.000 2.036 286 N HA -0.116 1.662 4.740 -4.937 0.000 0.195 286 N C -0.967 174.638 175.510 0.159 0.000 1.037 286 N CA 1.375 54.553 53.050 0.213 0.000 0.855 286 N CB -1.591 37.041 38.487 0.243 0.000 1.033 286 N HN 0.110 nan 8.380 nan 0.000 0.423 287 P HA 0.003 nan 4.420 nan 0.000 0.215 287 P C 1.369 178.899 177.300 0.382 0.000 1.153 287 P CA 1.349 64.727 63.100 0.464 0.000 0.853 287 P CB 0.019 32.087 31.700 0.614 0.000 0.788 288 S N -0.760 115.155 115.700 0.358 0.000 2.399 288 S HA -0.210 1.298 4.470 -4.937 0.000 0.231 288 S C 2.030 176.631 174.600 0.002 0.000 1.022 288 S CA 1.341 59.678 58.200 0.228 0.000 0.983 288 S CB -0.699 62.693 63.200 0.319 0.000 0.803 288 S HN 0.174 nan 8.310 nan 0.000 0.480 289 Q N 0.153 119.978 119.800 0.041 0.000 2.137 289 Q HA 0.128 1.506 4.340 -4.937 0.000 0.198 289 Q C 1.670 177.597 176.000 -0.123 0.000 0.960 289 Q CA 1.158 56.958 55.803 -0.005 0.000 0.847 289 Q CB -0.308 28.480 28.738 0.084 0.000 0.915 289 Q HN 0.549 nan 8.270 nan 0.000 0.448 290 F N -1.055 118.649 119.950 -0.410 0.000 2.179 290 F HA 0.033 1.597 4.527 -4.938 0.000 0.292 290 F C 1.109 176.503 175.800 -0.677 0.000 1.089 290 F CA 0.842 58.417 58.000 -0.709 0.000 1.295 290 F CB -0.035 38.222 39.000 -1.239 0.000 1.041 290 F HN 0.060 nan 8.300 nan 0.000 0.487 291 F N 0.788 120.648 119.950 -0.151 0.000 2.661 291 F HA 0.067 1.628 4.527 -4.943 0.000 0.298 291 F C 1.383 176.902 175.800 -0.467 0.000 1.137 291 F CA 0.321 58.151 58.000 -0.283 0.000 1.454 291 F CB -0.840 38.050 39.000 -0.182 0.000 1.103 291 F HN -0.008 nan 8.300 nan 0.000 0.577 292 Q N 0.000 119.565 119.800 -0.392 0.000 2.315 292 Q HA 0.000 1.378 4.340 -4.937 0.000 0.214 292 Q CA 0.000 55.607 55.803 -0.326 0.000 1.022 292 Q CB 0.000 28.548 28.738 -0.316 0.000 1.108 292 Q HN 0.000 nan 8.270 nan 0.000 0.481