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 2ip4_1_B DATA FIRST_RESID 2 DATA SEQUENCE KVLVVGSGGR EHALLWKAAQ SPRVKRLYAA PGNAGXEALA ELVPWNGDVE DATA SEQUENCE ALADWALAEG IDLTLVGPEA PLVEGIADAF QARGLLLFGP TQKAAXIEGS DATA SEQUENCE KAFAKGLXER YGIPTARYRV FREPLEALAY LEEVGVPVVV KDSGLAAGKG DATA SEQUENCE VTVAFDLHQA KQAVANILNR AEGGEVVVEE YLEGEEATVL ALTDGETILP DATA SEQUENCE LLPSQDHKRL LDGDQGPXTG GXGAVAPYPX DEATLRRVEE EILGPLVRGL DATA SEQUENCE RAEGVVYRGV VYAGLXLTRE GPKVLEFNAR FGDPEAQALL PLLENDLVEL DATA SEQUENCE ALRVAEGRLA GTRLSWKEGA AACVVLAAPG YPESPRKGIP LHVPEPPEGV DATA SEQUENCE LVFHAGTRRE GGRLVSAGGR VLNVVGLGRD LKEALERAYA YIPQVGFPGA DATA SEQUENCE VYRRDIGRRA LAR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.697 176.600 0.161 0.000 0.988 2 K CA 0.000 56.395 56.287 0.180 0.000 0.838 2 K CB 0.000 32.629 32.500 0.215 0.000 1.064 3 V N 3.051 123.091 119.914 0.209 0.000 2.604 3 V HA 0.508 4.628 4.120 -0.001 0.000 0.305 3 V C -0.871 175.372 176.094 0.249 0.000 1.043 3 V CA -0.963 61.435 62.300 0.164 0.000 0.888 3 V CB 1.744 33.616 31.823 0.081 0.000 0.995 3 V HN 0.606 nan 8.190 nan 0.000 0.429 4 L N 5.388 126.732 121.223 0.202 0.000 2.329 4 L HA 0.786 5.126 4.340 -0.001 0.000 0.279 4 L C -0.671 176.270 176.870 0.118 0.000 1.014 4 L CA -0.069 54.904 54.840 0.221 0.000 0.814 4 L CB 1.901 44.103 42.059 0.238 0.000 1.257 4 L HN 0.450 nan 8.230 nan 0.000 0.424 5 V N 5.826 125.805 119.914 0.108 0.000 2.407 5 V HA 0.424 4.544 4.120 -0.001 0.000 0.291 5 V C -0.376 175.743 176.094 0.042 0.000 1.018 5 V CA -0.673 61.666 62.300 0.065 0.000 0.842 5 V CB 1.857 33.722 31.823 0.071 0.000 0.996 5 V HN 0.564 nan 8.190 nan 0.000 0.426 6 V N 4.917 124.833 119.914 0.004 0.000 2.498 6 V HA 0.935 5.055 4.120 -0.001 0.000 0.279 6 V C 0.760 176.907 176.094 0.089 0.000 1.048 6 V CA 0.875 63.171 62.300 -0.006 0.000 0.967 6 V CB 0.839 32.590 31.823 -0.120 0.000 0.988 6 V HN 1.235 nan 8.190 nan 0.000 0.473 7 G N 3.727 112.617 108.800 0.150 0.000 2.353 7 G HA2 0.228 4.188 3.960 -0.001 0.000 0.424 7 G HA3 0.228 4.188 3.960 -0.001 0.000 0.424 7 G C -0.209 174.759 174.900 0.115 0.000 1.320 7 G CA -0.070 45.117 45.100 0.145 0.000 0.995 7 G HN 1.378 nan 8.290 nan 0.000 0.580 8 S N -1.298 114.457 115.700 0.091 0.000 3.053 8 S HA 0.626 5.096 4.470 -0.001 0.000 0.255 8 S C 0.857 175.489 174.600 0.053 0.000 0.976 8 S CA 0.902 59.140 58.200 0.063 0.000 1.159 8 S CB 0.545 63.779 63.200 0.056 0.000 1.110 8 S HN 2.014 nan 8.310 nan 0.000 0.633 9 G N 0.523 109.361 108.800 0.064 0.000 2.753 9 G HA2 0.567 4.526 3.960 -0.001 0.000 0.285 9 G HA3 0.567 4.526 3.960 -0.001 0.000 0.285 9 G C 0.892 175.843 174.900 0.085 0.000 1.344 9 G CA -0.262 44.878 45.100 0.067 0.000 1.050 9 G HN 0.306 nan 8.290 nan 0.000 0.532 10 G N -0.874 107.981 108.800 0.092 0.000 2.432 10 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.219 10 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.219 10 G C 1.662 176.528 174.900 -0.057 0.000 1.135 10 G CA 1.114 46.275 45.100 0.101 0.000 0.767 10 G HN 0.608 nan 8.290 nan 0.000 0.550 11 R N 0.713 121.200 120.500 -0.022 0.000 2.096 11 R HA -0.083 4.257 4.340 -0.001 0.000 0.235 11 R C 2.215 178.476 176.300 -0.065 0.000 1.127 11 R CA 1.713 57.779 56.100 -0.058 0.000 0.968 11 R CB -0.186 30.139 30.300 0.042 0.000 0.861 11 R HN 0.336 nan 8.270 nan 0.000 0.440 12 E N -0.158 120.048 120.200 0.010 0.000 2.107 12 E HA -0.205 4.145 4.350 -0.001 0.000 0.191 12 E C 1.840 178.464 176.600 0.040 0.000 0.982 12 E CA 1.049 57.471 56.400 0.036 0.000 0.809 12 E CB -0.704 29.037 29.700 0.068 0.000 0.756 12 E HN 0.503 nan 8.360 nan 0.000 0.459 13 H N 1.643 120.647 119.070 -0.109 0.000 2.357 13 H HA 0.106 4.662 4.556 -0.001 0.000 0.301 13 H C 1.918 177.070 175.328 -0.295 0.000 1.082 13 H CA 1.811 57.789 56.048 -0.117 0.000 1.342 13 H CB -0.254 29.488 29.762 -0.033 0.000 1.389 13 H HN 0.156 nan 8.280 nan 0.000 0.511 14 A N 0.597 122.981 122.820 -0.727 0.000 1.898 14 A HA -0.052 4.268 4.320 -0.001 0.000 0.216 14 A C 2.700 180.150 177.584 -0.224 0.000 1.181 14 A CA 1.251 52.692 52.037 -0.993 0.000 0.620 14 A CB -0.874 17.438 19.000 -1.147 0.000 0.819 14 A HN 0.448 nan 8.150 nan 0.000 0.442 15 L N -1.071 120.043 121.223 -0.182 0.000 2.127 15 L HA -0.184 4.156 4.340 -0.001 0.000 0.211 15 L C 2.536 179.390 176.870 -0.026 0.000 1.089 15 L CA 0.846 55.624 54.840 -0.103 0.000 0.757 15 L CB -0.463 41.551 42.059 -0.076 0.000 0.899 15 L HN 0.399 nan 8.230 nan 0.000 0.434 16 L N -0.544 120.697 121.223 0.029 0.000 2.005 16 L HA -0.215 4.124 4.340 -0.001 0.000 0.207 16 L C 2.263 179.192 176.870 0.098 0.000 1.072 16 L CA 1.858 56.746 54.840 0.079 0.000 0.744 16 L CB -0.920 41.233 42.059 0.157 0.000 0.895 16 L HN 0.359 nan 8.230 nan 0.000 0.433 17 W N 0.748 122.011 121.300 -0.061 0.000 2.321 17 W HA -0.326 4.334 4.660 -0.000 0.000 0.306 17 W C 2.561 179.057 176.519 -0.039 0.000 1.217 17 W CA 2.462 59.790 57.345 -0.028 0.000 1.257 17 W CB -0.162 29.307 29.460 0.015 0.000 1.145 17 W HN 0.080 nan 8.180 nan 0.000 0.509 18 K N 0.549 120.843 120.400 -0.178 0.000 2.167 18 K HA 0.053 4.373 4.320 -0.001 0.000 0.203 18 K C 2.076 178.486 176.600 -0.317 0.000 1.052 18 K CA 1.618 57.627 56.287 -0.462 0.000 0.956 18 K CB -0.759 31.631 32.500 -0.184 0.000 0.735 18 K HN 0.111 nan 8.250 nan 0.000 0.451 19 A N 0.492 123.202 122.820 -0.183 0.000 1.969 19 A HA 0.036 4.356 4.320 -0.001 0.000 0.218 19 A C 2.308 179.802 177.584 -0.149 0.000 1.169 19 A CA 1.571 53.524 52.037 -0.141 0.000 0.635 19 A CB -0.856 18.099 19.000 -0.076 0.000 0.810 19 A HN 0.370 nan 8.150 nan 0.000 0.445 20 A N -0.352 122.369 122.820 -0.165 0.000 1.978 20 A HA -0.240 4.080 4.320 -0.001 0.000 0.220 20 A C 2.044 179.512 177.584 -0.193 0.000 1.170 20 A CA 1.662 53.607 52.037 -0.153 0.000 0.636 20 A CB -0.569 18.350 19.000 -0.135 0.000 0.810 20 A HN 0.671 nan 8.150 nan 0.000 0.448 21 Q N -0.126 119.502 119.800 -0.287 0.000 2.226 21 Q HA -0.052 4.288 4.340 -0.001 0.000 0.204 21 Q C 0.986 176.879 176.000 -0.178 0.000 0.975 21 Q CA 0.742 56.386 55.803 -0.264 0.000 0.866 21 Q CB -0.190 28.338 28.738 -0.350 0.000 0.915 21 Q HN 0.511 nan 8.270 nan 0.000 0.440 22 S N 1.755 117.361 115.700 -0.157 0.000 2.481 22 S HA 0.035 4.505 4.470 -0.001 0.000 0.282 22 S C -1.415 173.132 174.600 -0.089 0.000 1.243 22 S CA -1.379 56.751 58.200 -0.115 0.000 1.078 22 S CB 0.737 63.875 63.200 -0.102 0.000 0.916 22 S HN 0.106 nan 8.310 nan 0.000 0.495 23 P HA -0.158 nan 4.420 nan 0.000 0.221 23 P C 0.482 177.753 177.300 -0.048 0.000 1.145 23 P CA 0.914 63.978 63.100 -0.060 0.000 0.795 23 P CB -0.079 31.588 31.700 -0.055 0.000 0.775 24 R N -0.302 120.169 120.500 -0.048 0.000 2.547 24 R HA 0.336 4.676 4.340 -0.001 0.000 0.258 24 R C -0.446 175.835 176.300 -0.031 0.000 1.115 24 R CA -0.115 55.963 56.100 -0.036 0.000 1.152 24 R CB -0.351 29.928 30.300 -0.034 0.000 1.221 24 R HN -0.023 nan 8.270 nan 0.000 0.539 25 V N 2.374 122.267 119.914 -0.036 0.000 2.483 25 V HA 0.153 4.273 4.120 -0.001 0.000 0.297 25 V C 0.519 176.597 176.094 -0.027 0.000 1.027 25 V CA -0.774 61.510 62.300 -0.028 0.000 0.855 25 V CB 1.866 33.665 31.823 -0.040 0.000 0.995 25 V HN 0.381 nan 8.190 nan 0.000 0.424 26 K N 3.870 124.262 120.400 -0.013 0.000 2.240 26 K HA 0.396 4.716 4.320 -0.001 0.000 0.202 26 K C 0.486 177.068 176.600 -0.030 0.000 1.053 26 K CA -0.201 56.076 56.287 -0.017 0.000 0.973 26 K CB 0.647 33.144 32.500 -0.004 0.000 0.924 26 K HN 0.330 nan 8.250 nan 0.000 0.477 27 R N 1.210 121.701 120.500 -0.015 0.000 2.621 27 R HA 0.510 4.849 4.340 -0.001 0.000 0.292 27 R C -0.997 175.232 176.300 -0.118 0.000 0.969 27 R CA -0.605 55.436 56.100 -0.098 0.000 0.887 27 R CB 1.845 32.114 30.300 -0.051 0.000 1.180 27 R HN 0.119 nan 8.270 nan 0.000 0.450 28 L N 3.104 124.155 121.223 -0.287 0.000 2.362 28 L HA 0.585 4.925 4.340 -0.001 0.000 0.271 28 L C -0.977 175.669 176.870 -0.373 0.000 1.002 28 L CA -0.886 53.857 54.840 -0.160 0.000 0.818 28 L CB 1.397 43.415 42.059 -0.068 0.000 1.298 28 L HN 0.454 nan 8.230 nan 0.000 0.420 29 Y N 0.715 121.078 120.300 0.105 0.000 2.634 29 Y HA 0.818 5.368 4.550 -0.001 0.000 0.340 29 Y C -0.116 175.834 175.900 0.082 0.000 1.058 29 Y CA -1.087 57.091 58.100 0.130 0.000 1.081 29 Y CB 2.245 40.876 38.460 0.284 0.000 1.295 29 Y HN 0.511 nan 8.280 nan 0.000 0.487 30 A N 0.811 123.748 122.820 0.196 0.000 2.442 30 A HA 0.805 5.124 4.320 -0.001 0.000 0.284 30 A C -1.559 176.051 177.584 0.044 0.000 1.058 30 A CA -0.445 51.651 52.037 0.098 0.000 0.738 30 A CB 0.419 19.454 19.000 0.059 0.000 1.242 30 A HN 0.955 nan 8.150 nan 0.000 0.421 31 A N 4.621 127.455 122.820 0.023 0.000 2.293 31 A HA 0.790 5.110 4.320 -0.001 0.000 0.312 31 A C -2.020 175.678 177.584 0.190 0.000 1.309 31 A CA -1.447 50.607 52.037 0.028 0.000 0.839 31 A CB 0.814 19.729 19.000 -0.142 0.000 1.155 31 A HN 0.495 nan 8.150 nan 0.000 0.501 32 P HA 0.188 nan 4.420 nan 0.000 0.252 32 P C 0.966 178.295 177.300 0.048 0.000 1.218 32 P CA 1.122 64.283 63.100 0.102 0.000 0.807 32 P CB 0.490 32.249 31.700 0.097 0.000 1.072 33 G N 1.548 110.379 108.800 0.052 0.000 2.598 33 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.244 33 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.244 33 G C -0.678 174.218 174.900 -0.007 0.000 1.302 33 G CA 0.089 45.197 45.100 0.014 0.000 0.903 33 G HN 0.745 nan 8.290 nan 0.000 0.575 34 N N -2.505 116.164 118.700 -0.051 0.000 3.046 34 N HA 0.758 5.498 4.740 -0.001 0.000 0.243 34 N C 1.025 176.478 175.510 -0.094 0.000 1.452 34 N CA 0.797 53.817 53.050 -0.050 0.000 0.882 34 N CB 0.762 39.233 38.487 -0.026 0.000 1.425 34 N HN 1.816 nan 8.380 nan 0.000 0.517 35 A N 0.360 123.150 122.820 -0.050 0.000 1.896 35 A HA 0.033 4.353 4.320 -0.001 0.000 0.220 35 A C 1.366 178.828 177.584 -0.203 0.000 1.206 35 A CA 2.075 54.075 52.037 -0.061 0.000 0.647 35 A CB -1.894 17.120 19.000 0.023 0.000 0.828 35 A HN 0.983 nan 8.150 nan 0.000 0.455 39 A N 0.875 123.655 122.820 -0.066 0.000 2.235 39 A HA 0.197 4.516 4.320 -0.001 0.000 0.208 39 A C 1.566 179.152 177.584 0.004 0.000 1.172 39 A CA 0.556 52.576 52.037 -0.028 0.000 0.786 39 A CB -0.054 18.933 19.000 -0.022 0.000 0.804 39 A HN 0.258 nan 8.150 nan 0.000 0.479 40 L N -2.907 118.322 121.223 0.009 0.000 2.902 40 L HA 0.494 4.833 4.340 -0.001 0.000 0.254 40 L C 0.647 177.501 176.870 -0.027 0.000 1.115 40 L CA 0.539 55.392 54.840 0.022 0.000 0.947 40 L CB 0.561 42.677 42.059 0.095 0.000 1.369 40 L HN 0.320 nan 8.230 nan 0.000 0.538 41 A N -0.802 121.991 122.820 -0.044 0.000 2.599 41 A HA 0.551 4.871 4.320 -0.001 0.000 0.290 41 A C -1.234 176.300 177.584 -0.082 0.000 1.101 41 A CA -0.604 51.374 52.037 -0.098 0.000 0.674 41 A CB 1.117 20.073 19.000 -0.074 0.000 1.277 41 A HN -0.105 nan 8.150 nan 0.000 0.419 42 E N 0.129 120.254 120.200 -0.126 0.000 2.392 42 E HA 0.328 4.678 4.350 -0.001 0.000 0.264 42 E C -1.088 175.543 176.600 0.052 0.000 1.024 42 E CA -0.082 56.312 56.400 -0.011 0.000 0.903 42 E CB 0.736 30.483 29.700 0.077 0.000 0.963 42 E HN 0.357 nan 8.360 nan 0.000 0.432 43 L N 2.936 124.179 121.223 0.033 0.000 2.265 43 L HA 0.184 4.524 4.340 -0.001 0.000 0.289 43 L C -0.313 176.547 176.870 -0.016 0.000 1.033 43 L CA -0.535 54.312 54.840 0.011 0.000 0.814 43 L CB 1.415 43.470 42.059 -0.007 0.000 1.203 43 L HN 0.172 nan 8.230 nan 0.000 0.423 44 V N 6.078 125.946 119.914 -0.078 0.000 2.348 44 V HA 0.308 4.428 4.120 -0.001 0.000 0.270 44 V C -1.759 174.252 176.094 -0.138 0.000 1.037 44 V CA -1.288 60.861 62.300 -0.251 0.000 0.872 44 V CB 1.252 32.690 31.823 -0.642 0.000 1.002 44 V HN 0.626 nan 8.190 nan 0.000 0.464 45 P HA -0.021 nan 4.420 nan 0.000 0.235 45 P C -0.294 177.031 177.300 0.042 0.000 1.765 45 P CA -0.233 62.855 63.100 -0.020 0.000 1.034 45 P CB -0.084 31.599 31.700 -0.029 0.000 1.984 46 W N 4.406 125.620 121.300 -0.142 0.000 2.181 46 W HA 0.050 4.710 4.660 -0.000 0.000 0.335 46 W C 1.008 177.494 176.519 -0.056 0.000 1.310 46 W CA -0.216 57.065 57.345 -0.106 0.000 1.226 46 W CB 0.308 29.716 29.460 -0.088 0.000 1.155 46 W HN 0.206 nan 8.180 nan 0.000 0.565 47 N N 3.120 121.613 118.700 -0.344 0.000 2.280 47 N HA 0.131 4.870 4.740 -0.001 0.000 0.192 47 N C 1.154 176.162 175.510 -0.836 0.000 1.109 47 N CA 0.716 53.494 53.050 -0.453 0.000 0.855 47 N CB 0.303 38.675 38.487 -0.192 0.000 0.974 47 N HN 0.855 nan 8.380 nan 0.000 0.482 48 G N 0.228 107.851 108.800 -1.962 0.000 2.232 48 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.226 48 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.226 48 G C -0.429 174.161 174.900 -0.517 0.000 0.996 48 G CA 0.117 44.213 45.100 -1.673 0.000 0.626 48 G HN 0.562 nan 8.290 nan 0.000 0.509 49 D N 1.972 122.295 120.400 -0.129 0.000 2.342 49 D HA 0.342 4.981 4.640 -0.001 0.000 0.260 49 D C 2.131 178.789 176.300 0.597 0.000 1.278 49 D CA 0.486 54.615 54.000 0.215 0.000 0.910 49 D CB 1.075 41.966 40.800 0.153 0.000 1.079 49 D HN 0.703 nan 8.370 nan 0.000 0.496 50 V N 2.525 122.751 119.914 0.520 0.000 2.287 50 V HA -0.229 3.890 4.120 -0.001 0.000 0.248 50 V C 1.964 178.247 176.094 0.316 0.000 1.053 50 V CA 1.458 64.047 62.300 0.482 0.000 1.027 50 V CB -0.894 31.136 31.823 0.344 0.000 0.646 50 V HN 0.438 nan 8.190 nan 0.000 0.447 51 E N 1.106 121.438 120.200 0.219 0.000 2.085 51 E HA -0.149 4.201 4.350 -0.001 0.000 0.194 51 E C 2.411 179.083 176.600 0.120 0.000 0.994 51 E CA 1.608 58.087 56.400 0.130 0.000 0.801 51 E CB -0.547 29.207 29.700 0.090 0.000 0.743 51 E HN 0.724 nan 8.360 nan 0.000 0.453 52 A N 0.946 123.874 122.820 0.180 0.000 1.883 52 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 52 A C 2.157 179.855 177.584 0.191 0.000 1.186 52 A CA 1.357 53.502 52.037 0.180 0.000 0.624 52 A CB -0.632 18.502 19.000 0.223 0.000 0.822 52 A HN 0.258 nan 8.150 nan 0.000 0.444 53 L N -0.301 121.056 121.223 0.224 0.000 2.017 53 L HA -0.052 4.287 4.340 -0.001 0.000 0.208 53 L C 2.726 179.644 176.870 0.079 0.000 1.073 53 L CA 2.188 57.087 54.840 0.099 0.000 0.745 53 L CB -1.002 40.887 42.059 -0.284 0.000 0.894 53 L HN 0.374 nan 8.230 nan 0.000 0.432 54 A N -0.447 122.323 122.820 -0.085 0.000 1.873 54 A HA -0.300 4.019 4.320 -0.001 0.000 0.218 54 A C 1.996 179.351 177.584 -0.383 0.000 1.193 54 A CA 2.191 53.839 52.037 -0.650 0.000 0.629 54 A CB -1.133 17.584 19.000 -0.470 0.000 0.826 54 A HN 0.552 nan 8.150 nan 0.000 0.447 55 D N -1.441 118.870 120.400 -0.149 0.000 2.127 55 D HA -0.228 4.412 4.640 -0.001 0.000 0.190 55 D C 1.521 177.771 176.300 -0.084 0.000 1.000 55 D CA 1.672 55.615 54.000 -0.095 0.000 0.839 55 D CB -0.694 40.102 40.800 -0.007 0.000 0.955 55 D HN 0.761 nan 8.370 nan 0.000 0.446 56 W N 2.002 123.221 121.300 -0.134 0.000 2.302 56 W HA -0.275 4.385 4.660 -0.000 0.000 0.320 56 W C 2.450 178.863 176.519 -0.176 0.000 1.241 56 W CA 2.876 60.148 57.345 -0.121 0.000 1.264 56 W CB -0.650 28.759 29.460 -0.085 0.000 1.154 56 W HN 0.003 nan 8.180 nan 0.000 0.483 57 A N 0.712 123.288 122.820 -0.407 0.000 1.917 57 A HA -0.258 4.062 4.320 -0.001 0.000 0.219 57 A C 2.229 179.421 177.584 -0.654 0.000 1.182 57 A CA 1.980 53.577 52.037 -0.733 0.000 0.633 57 A CB -1.249 17.545 19.000 -0.342 0.000 0.819 57 A HN 0.547 nan 8.150 nan 0.000 0.448 58 L N -0.946 119.993 121.223 -0.474 0.000 1.976 58 L HA -0.214 4.125 4.340 -0.001 0.000 0.209 58 L C 3.057 179.710 176.870 -0.362 0.000 1.071 58 L CA 1.546 56.173 54.840 -0.355 0.000 0.746 58 L CB -0.659 41.241 42.059 -0.266 0.000 0.890 58 L HN 0.466 nan 8.230 nan 0.000 0.432 59 A N -0.435 122.162 122.820 -0.372 0.000 1.896 59 A HA -0.288 4.031 4.320 -0.001 0.000 0.220 59 A C 2.052 179.393 177.584 -0.406 0.000 1.206 59 A CA 2.114 53.954 52.037 -0.328 0.000 0.647 59 A CB -0.686 18.144 19.000 -0.283 0.000 0.828 59 A HN 0.502 nan 8.150 nan 0.000 0.455 60 E N -1.183 118.597 120.200 -0.699 0.000 2.338 60 E HA 0.072 4.422 4.350 -0.001 0.000 0.197 60 E C 1.111 177.431 176.600 -0.467 0.000 1.007 60 E CA 0.798 56.789 56.400 -0.680 0.000 0.849 60 E CB -0.526 28.419 29.700 -1.257 0.000 0.774 60 E HN 0.932 nan 8.360 nan 0.000 0.506 61 G N 2.088 110.635 108.800 -0.421 0.000 2.473 61 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.289 61 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.289 61 G C -0.006 174.746 174.900 -0.247 0.000 1.084 61 G CA -0.035 44.904 45.100 -0.268 0.000 1.215 61 G HN 0.083 nan 8.290 nan 0.000 0.527 62 I N 0.899 121.299 120.570 -0.284 0.000 2.395 62 I HA 0.228 4.397 4.170 -0.001 0.000 0.289 62 I C 0.816 176.895 176.117 -0.063 0.000 1.023 62 I CA -0.528 60.668 61.300 -0.173 0.000 1.350 62 I CB 1.226 39.130 38.000 -0.160 0.000 1.409 62 I HN 0.250 nan 8.210 nan 0.000 0.507 63 D N 4.547 124.940 120.400 -0.012 0.000 2.240 63 D HA 0.081 4.720 4.640 -0.001 0.000 0.206 63 D C 0.313 176.635 176.300 0.036 0.000 0.963 63 D CA 0.939 54.942 54.000 0.006 0.000 0.863 63 D CB 0.881 41.684 40.800 0.005 0.000 0.973 63 D HN 0.251 nan 8.370 nan 0.000 0.501 64 L N 0.154 121.412 121.223 0.058 0.000 2.526 64 L HA 0.330 4.669 4.340 -0.001 0.000 0.263 64 L C -1.463 175.458 176.870 0.086 0.000 0.943 64 L CA -0.171 54.712 54.840 0.070 0.000 0.859 64 L CB 2.519 44.605 42.059 0.046 0.000 1.313 64 L HN -0.342 nan 8.230 nan 0.000 0.406 65 T N 5.820 120.420 114.554 0.077 0.000 2.792 65 T HA 0.626 4.975 4.350 -0.001 0.000 0.280 65 T C -0.614 174.097 174.700 0.019 0.000 0.990 65 T CA -0.254 61.857 62.100 0.019 0.000 0.960 65 T CB 0.919 69.702 68.868 -0.141 0.000 0.939 65 T HN 0.465 nan 8.240 nan 0.000 0.439 66 L N 3.676 124.925 121.223 0.043 0.000 2.295 66 L HA 0.499 4.839 4.340 -0.001 0.000 0.281 66 L C -0.274 176.656 176.870 0.099 0.000 1.018 66 L CA -1.062 53.853 54.840 0.124 0.000 0.841 66 L CB 1.291 43.400 42.059 0.083 0.000 1.218 66 L HN 0.331 nan 8.230 nan 0.000 0.424 67 V N 3.059 123.035 119.914 0.103 0.000 2.432 67 V HA 0.194 4.314 4.120 -0.001 0.000 0.271 67 V C 1.178 177.357 176.094 0.142 0.000 1.046 67 V CA 0.206 62.533 62.300 0.046 0.000 0.945 67 V CB 1.088 32.883 31.823 -0.047 0.000 0.992 67 V HN 0.973 nan 8.190 nan 0.000 0.471 68 G N 6.961 115.839 108.800 0.131 0.000 2.439 68 G HA2 0.086 4.045 3.960 -0.001 0.000 0.212 68 G HA3 0.086 4.045 3.960 -0.001 0.000 0.212 68 G C -1.370 173.618 174.900 0.146 0.000 1.199 68 G CA 0.337 45.539 45.100 0.169 0.000 0.807 68 G HN 0.629 nan 8.290 nan 0.000 0.537 69 P HA 0.182 nan 4.420 nan 0.000 0.279 69 P C 0.048 177.388 177.300 0.068 0.000 1.282 69 P CA -0.055 63.101 63.100 0.093 0.000 0.788 69 P CB 1.970 33.731 31.700 0.102 0.000 1.139 70 E N -0.296 119.931 120.200 0.046 0.000 2.201 70 E HA 0.009 4.359 4.350 -0.001 0.000 0.193 70 E C 2.026 178.645 176.600 0.031 0.000 0.957 70 E CA 0.480 56.894 56.400 0.025 0.000 0.858 70 E CB -0.370 29.333 29.700 0.006 0.000 0.816 70 E HN 0.412 nan 8.360 nan 0.000 0.475 71 A N 1.977 124.822 122.820 0.042 0.000 1.873 71 A HA -0.139 4.181 4.320 -0.001 0.000 0.218 71 A C -0.319 177.309 177.584 0.073 0.000 1.193 71 A CA 1.654 53.718 52.037 0.045 0.000 0.629 71 A CB -1.679 17.343 19.000 0.037 0.000 0.826 71 A HN 0.267 nan 8.150 nan 0.000 0.447 72 P HA -0.131 nan 4.420 nan 0.000 0.218 72 P C 1.337 178.683 177.300 0.077 0.000 1.146 72 P CA 0.864 64.075 63.100 0.186 0.000 0.813 72 P CB -0.094 31.759 31.700 0.255 0.000 0.778 73 L N -1.636 119.603 121.223 0.026 0.000 2.068 73 L HA -0.086 4.253 4.340 -0.001 0.000 0.204 73 L C 2.207 179.067 176.870 -0.016 0.000 1.076 73 L CA 1.138 55.962 54.840 -0.027 0.000 0.753 73 L CB -0.953 41.073 42.059 -0.055 0.000 0.910 73 L HN -0.158 nan 8.230 nan 0.000 0.439 74 V N -0.124 119.793 119.914 0.005 0.000 2.759 74 V HA -0.195 3.924 4.120 -0.001 0.000 0.256 74 V C 1.642 177.745 176.094 0.015 0.000 1.080 74 V CA 1.374 63.677 62.300 0.006 0.000 1.101 74 V CB -0.534 31.296 31.823 0.012 0.000 0.698 74 V HN 0.468 nan 8.190 nan 0.000 0.477 75 E N 0.234 120.455 120.200 0.035 0.000 2.403 75 E HA 0.298 4.647 4.350 -0.001 0.000 0.188 75 E C 1.395 178.030 176.600 0.058 0.000 1.056 75 E CA 0.435 56.865 56.400 0.050 0.000 0.892 75 E CB 0.170 29.913 29.700 0.071 0.000 1.049 75 E HN 0.564 nan 8.360 nan 0.000 0.465 76 G N 2.110 110.930 108.800 0.034 0.000 2.273 76 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.280 76 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.280 76 G C 0.674 175.607 174.900 0.056 0.000 1.047 76 G CA 0.476 45.593 45.100 0.027 0.000 0.869 76 G HN 0.496 nan 8.290 nan 0.000 0.502 77 I N -0.474 120.128 120.570 0.052 0.000 2.208 77 I HA -0.109 4.061 4.170 -0.001 0.000 0.245 77 I C 2.782 178.920 176.117 0.035 0.000 1.097 77 I CA 2.281 63.617 61.300 0.060 0.000 1.363 77 I CB -0.189 37.776 38.000 -0.059 0.000 1.051 77 I HN 0.441 nan 8.210 nan 0.000 0.413 78 A N 0.401 123.189 122.820 -0.053 0.000 1.908 78 A HA -0.291 4.029 4.320 -0.001 0.000 0.218 78 A C 1.776 179.386 177.584 0.042 0.000 1.181 78 A CA 2.390 54.397 52.037 -0.051 0.000 0.627 78 A CB -0.911 18.017 19.000 -0.120 0.000 0.818 78 A HN 0.524 nan 8.150 nan 0.000 0.445 79 D N 0.007 120.426 120.400 0.031 0.000 2.078 79 D HA -0.009 4.630 4.640 -0.001 0.000 0.193 79 D C 2.301 178.650 176.300 0.081 0.000 0.990 79 D CA 1.776 55.800 54.000 0.040 0.000 0.827 79 D CB -0.365 40.449 40.800 0.023 0.000 0.975 79 D HN 0.419 nan 8.370 nan 0.000 0.451 80 A N 0.128 123.018 122.820 0.117 0.000 1.903 80 A HA -0.236 4.084 4.320 -0.001 0.000 0.219 80 A C 2.025 179.682 177.584 0.122 0.000 1.191 80 A CA 1.373 53.484 52.037 0.123 0.000 0.638 80 A CB -1.114 17.989 19.000 0.171 0.000 0.823 80 A HN 0.179 nan 8.150 nan 0.000 0.451 81 F N -0.199 119.736 119.950 -0.024 0.000 2.134 81 F HA -0.170 4.357 4.527 -0.001 0.000 0.299 81 F C 2.724 178.504 175.800 -0.035 0.000 1.097 81 F CA 1.888 59.867 58.000 -0.034 0.000 1.264 81 F CB -0.661 38.314 39.000 -0.042 0.000 1.001 81 F HN 0.304 nan 8.300 nan 0.000 0.479 82 Q N -0.588 119.296 119.800 0.141 0.000 2.170 82 Q HA -0.169 4.171 4.340 -0.001 0.000 0.203 82 Q C 2.421 178.428 176.000 0.011 0.000 0.976 82 Q CA 1.273 57.111 55.803 0.058 0.000 0.858 82 Q CB -0.383 28.378 28.738 0.038 0.000 0.907 82 Q HN 0.426 nan 8.270 nan 0.000 0.433 83 A N 0.816 123.639 122.820 0.005 0.000 1.940 83 A HA -0.178 4.142 4.320 -0.001 0.000 0.219 83 A C 1.725 179.282 177.584 -0.045 0.000 1.176 83 A CA 1.355 53.381 52.037 -0.017 0.000 0.631 83 A CB -0.205 18.787 19.000 -0.013 0.000 0.814 83 A HN 0.119 nan 8.150 nan 0.000 0.446 84 R N -0.966 119.486 120.500 -0.080 0.000 2.363 84 R HA 0.282 4.622 4.340 -0.001 0.000 0.236 84 R C 1.281 177.521 176.300 -0.100 0.000 0.966 84 R CA 0.712 56.742 56.100 -0.117 0.000 1.100 84 R CB -0.622 29.553 30.300 -0.208 0.000 1.125 84 R HN 0.721 nan 8.270 nan 0.000 0.514 85 G N 0.012 108.777 108.800 -0.059 0.000 2.189 85 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.267 85 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.267 85 G C 0.077 174.957 174.900 -0.034 0.000 0.975 85 G CA 0.180 45.255 45.100 -0.042 0.000 0.644 85 G HN 0.281 nan 8.290 nan 0.000 0.537 86 L N -0.109 121.089 121.223 -0.042 0.000 2.395 86 L HA 0.625 4.965 4.340 -0.001 0.000 0.269 86 L C 0.649 177.586 176.870 0.111 0.000 1.133 86 L CA -1.064 53.779 54.840 0.006 0.000 0.812 86 L CB 1.089 43.096 42.059 -0.087 0.000 1.125 86 L HN 0.155 nan 8.230 nan 0.000 0.452 87 L N 4.354 125.647 121.223 0.116 0.000 2.307 87 L HA 0.661 5.001 4.340 -0.001 0.000 0.282 87 L C -0.768 176.182 176.870 0.134 0.000 1.051 87 L CA -0.301 54.602 54.840 0.104 0.000 0.804 87 L CB 1.535 43.633 42.059 0.064 0.000 1.197 87 L HN 0.467 nan 8.230 nan 0.000 0.431 88 L N 3.874 125.144 121.223 0.079 0.000 2.505 88 L HA 0.525 4.865 4.340 -0.001 0.000 0.259 88 L C -1.805 175.081 176.870 0.026 0.000 0.952 88 L CA -0.613 54.236 54.840 0.014 0.000 0.840 88 L CB 1.430 43.381 42.059 -0.180 0.000 1.358 88 L HN 0.482 nan 8.230 nan 0.000 0.409 89 F N 3.812 123.709 119.950 -0.088 0.000 2.434 89 F HA 0.757 5.284 4.527 -0.001 0.000 0.358 89 F C 0.637 176.372 175.800 -0.108 0.000 1.136 89 F CA 0.851 58.808 58.000 -0.071 0.000 1.157 89 F CB 0.249 39.237 39.000 -0.019 0.000 1.167 89 F HN 0.976 nan 8.300 nan 0.000 0.539 90 G N 6.508 114.917 108.800 -0.653 0.000 2.343 90 G HA2 0.200 4.160 3.960 -0.001 0.000 0.298 90 G HA3 0.200 4.160 3.960 -0.001 0.000 0.298 90 G C -3.450 171.146 174.900 -0.507 0.000 1.644 90 G CA -1.198 43.557 45.100 -0.574 0.000 0.958 90 G HN 0.400 nan 8.290 nan 0.000 0.702 91 P HA 0.344 nan 4.420 nan 0.000 0.274 91 P C 0.806 177.881 177.300 -0.375 0.000 1.231 91 P CA 0.076 62.769 63.100 -0.679 0.000 0.790 91 P CB 0.965 31.905 31.700 -1.267 0.000 0.951 92 T N -1.589 112.795 114.554 -0.284 0.000 2.788 92 T HA 0.050 4.399 4.350 -0.001 0.000 0.287 92 T C 1.371 176.002 174.700 -0.115 0.000 1.007 92 T CA -0.149 61.858 62.100 -0.155 0.000 1.005 92 T CB 0.512 69.316 68.868 -0.106 0.000 1.012 92 T HN 0.503 nan 8.240 nan 0.000 0.530 93 Q N 1.209 120.969 119.800 -0.066 0.000 1.906 93 Q HA -0.300 4.040 4.340 -0.001 0.000 0.221 93 Q C 2.326 178.300 176.000 -0.043 0.000 1.021 93 Q CA 2.779 58.558 55.803 -0.040 0.000 0.880 93 Q CB -0.395 28.332 28.738 -0.018 0.000 0.966 93 Q HN 0.890 nan 8.270 nan 0.000 0.418 94 K N -0.389 119.987 120.400 -0.040 0.000 2.071 94 K HA -0.268 4.051 4.320 -0.001 0.000 0.217 94 K C 1.989 178.553 176.600 -0.059 0.000 1.054 94 K CA 1.927 58.187 56.287 -0.045 0.000 0.937 94 K CB -0.772 31.703 32.500 -0.042 0.000 0.719 94 K HN 0.293 nan 8.250 nan 0.000 0.454 95 A N 1.988 124.776 122.820 -0.052 0.000 1.933 95 A HA 0.099 4.418 4.320 -0.001 0.000 0.218 95 A C 1.680 179.304 177.584 0.067 0.000 1.175 95 A CA 1.227 53.267 52.037 0.005 0.000 0.628 95 A CB -0.724 18.275 19.000 -0.002 0.000 0.814 95 A HN 0.623 nan 8.150 nan 0.000 0.444 99 E N 2.234 122.258 120.200 -0.293 0.000 2.204 99 E HA -0.110 4.240 4.350 -0.001 0.000 0.195 99 E C 1.718 178.382 176.600 0.106 0.000 0.990 99 E CA 1.779 58.089 56.400 -0.150 0.000 0.821 99 E CB 0.177 29.770 29.700 -0.180 0.000 0.750 99 E HN 0.552 nan 8.360 nan 0.000 0.477 100 G N 0.396 109.260 108.800 0.105 0.000 3.126 100 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.224 100 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.224 100 G C 0.585 175.574 174.900 0.148 0.000 1.142 100 G CA 0.203 45.393 45.100 0.150 0.000 0.759 100 G HN 0.179 nan 8.290 nan 0.000 0.550 101 S N -0.067 115.720 115.700 0.145 0.000 2.562 101 S HA 0.181 4.651 4.470 -0.001 0.000 0.281 101 S C 1.560 176.282 174.600 0.204 0.000 1.333 101 S CA -0.188 58.101 58.200 0.150 0.000 1.052 101 S CB 1.074 64.354 63.200 0.133 0.000 0.884 101 S HN 0.349 nan 8.310 nan 0.000 0.506 102 K N 3.396 123.888 120.400 0.152 0.000 2.031 102 K HA -0.034 4.286 4.320 -0.001 0.000 0.205 102 K C 2.444 179.160 176.600 0.193 0.000 1.049 102 K CA 1.254 57.637 56.287 0.160 0.000 0.939 102 K CB -0.568 32.005 32.500 0.122 0.000 0.717 102 K HN 0.713 nan 8.250 nan 0.000 0.438 103 A N 1.882 124.804 122.820 0.170 0.000 1.869 103 A HA -0.248 4.072 4.320 -0.001 0.000 0.218 103 A C 2.053 179.749 177.584 0.187 0.000 1.203 103 A CA 1.729 53.858 52.037 0.152 0.000 0.638 103 A CB -1.005 18.072 19.000 0.127 0.000 0.831 103 A HN 0.354 nan 8.150 nan 0.000 0.450 104 F N 1.075 121.065 119.950 0.065 0.000 2.085 104 F HA -0.261 4.266 4.527 -0.001 0.000 0.299 104 F C 2.590 178.442 175.800 0.087 0.000 1.096 104 F CA 1.379 59.413 58.000 0.057 0.000 1.227 104 F CB -0.884 38.133 39.000 0.029 0.000 0.983 104 F HN 0.297 nan 8.300 nan 0.000 0.482 105 A N 0.574 123.466 122.820 0.121 0.000 1.884 105 A HA -0.292 4.028 4.320 -0.001 0.000 0.219 105 A C 2.380 179.969 177.584 0.008 0.000 1.197 105 A CA 2.245 54.330 52.037 0.081 0.000 0.637 105 A CB -0.861 18.262 19.000 0.205 0.000 0.827 105 A HN 0.376 nan 8.150 nan 0.000 0.450 106 K N -1.079 119.351 120.400 0.050 0.000 2.001 106 K HA -0.168 4.151 4.320 -0.001 0.000 0.214 106 K C 2.224 178.806 176.600 -0.031 0.000 1.050 106 K CA 1.501 57.796 56.287 0.014 0.000 0.934 106 K CB -1.201 31.304 32.500 0.008 0.000 0.718 106 K HN 0.509 nan 8.250 nan 0.000 0.443 107 G N 2.421 111.194 108.800 -0.045 0.000 2.505 107 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.220 107 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.220 107 G C 0.944 175.807 174.900 -0.062 0.000 1.145 107 G CA 0.579 45.647 45.100 -0.053 0.000 0.761 107 G HN 0.038 nan 8.290 nan 0.000 0.571 111 R N -0.137 120.304 120.500 -0.099 0.000 2.156 111 R HA 0.152 4.492 4.340 -0.001 0.000 0.207 111 R C 0.751 176.740 176.300 -0.520 0.000 1.040 111 R CA 0.987 56.906 56.100 -0.301 0.000 1.013 111 R CB 0.334 30.423 30.300 -0.352 0.000 0.931 111 R HN 0.118 nan 8.270 nan 0.000 0.465 112 Y N -1.369 118.895 120.300 -0.060 0.000 2.588 112 Y HA 0.302 4.851 4.550 -0.001 0.000 0.247 112 Y C 1.085 176.966 175.900 -0.032 0.000 1.157 112 Y CA 0.087 58.159 58.100 -0.046 0.000 1.215 112 Y CB 1.415 39.839 38.460 -0.059 0.000 1.245 112 Y HN 0.166 nan 8.280 nan 0.000 0.534 113 G N 1.468 110.310 108.800 0.071 0.000 2.203 113 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.263 113 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.263 113 G C 0.237 175.174 174.900 0.062 0.000 1.012 113 G CA 0.119 45.247 45.100 0.048 0.000 0.749 113 G HN 0.392 nan 8.290 nan 0.000 0.512 114 I N 1.955 122.575 120.570 0.084 0.000 2.752 114 I HA 0.060 4.229 4.170 -0.001 0.000 0.289 114 I C -0.995 175.154 176.117 0.055 0.000 1.197 114 I CA -0.860 60.485 61.300 0.075 0.000 1.432 114 I CB 0.615 38.668 38.000 0.088 0.000 1.359 114 I HN 0.018 nan 8.210 nan 0.000 0.571 115 P HA 0.067 nan 4.420 nan 0.000 0.252 115 P C -0.326 176.981 177.300 0.013 0.000 1.727 115 P CA -0.269 62.846 63.100 0.026 0.000 1.134 115 P CB -0.320 31.390 31.700 0.017 0.000 1.876 116 T N -0.180 114.390 114.554 0.026 0.000 2.907 116 T HA 0.619 4.968 4.350 -0.001 0.000 0.284 116 T C 0.407 175.130 174.700 0.039 0.000 1.004 116 T CA -0.827 61.285 62.100 0.020 0.000 1.063 116 T CB 1.353 70.257 68.868 0.060 0.000 0.992 116 T HN 0.307 nan 8.240 nan 0.000 0.483 117 A N 2.756 125.592 122.820 0.027 0.000 2.531 117 A HA 0.455 4.774 4.320 -0.001 0.000 0.236 117 A C 0.770 178.444 177.584 0.150 0.000 1.062 117 A CA -0.527 51.542 52.037 0.052 0.000 0.760 117 A CB -0.203 18.804 19.000 0.012 0.000 0.995 117 A HN 1.091 nan 8.150 nan 0.000 0.501 118 R N 1.240 121.832 120.500 0.154 0.000 2.428 118 R HA 0.689 5.029 4.340 -0.001 0.000 0.294 118 R C -0.798 175.695 176.300 0.321 0.000 1.000 118 R CA -0.424 55.796 56.100 0.199 0.000 0.960 118 R CB 0.729 31.107 30.300 0.130 0.000 1.076 118 R HN 0.970 nan 8.270 nan 0.000 0.475 119 Y N -0.991 119.376 120.300 0.113 0.000 2.725 119 Y HA 0.658 5.208 4.550 -0.001 0.000 0.333 119 Y C -1.500 174.437 175.900 0.062 0.000 1.242 119 Y CA -1.574 56.620 58.100 0.157 0.000 1.059 119 Y CB 1.494 40.006 38.460 0.086 0.000 1.306 119 Y HN 0.710 nan 8.280 nan 0.000 0.454 120 R N 0.710 121.176 120.500 -0.057 0.000 2.680 120 R HA 0.713 5.053 4.340 -0.001 0.000 0.269 120 R C -1.680 174.332 176.300 -0.479 0.000 1.026 120 R CA -1.122 54.673 56.100 -0.508 0.000 0.889 120 R CB 2.896 32.717 30.300 -0.800 0.000 1.241 120 R HN 0.828 nan 8.270 nan 0.000 0.463 121 V N -0.651 118.867 119.914 -0.660 0.000 2.513 121 V HA 0.775 4.894 4.120 -0.001 0.000 0.299 121 V C -0.961 174.691 176.094 -0.736 0.000 1.035 121 V CA -0.579 61.450 62.300 -0.452 0.000 0.889 121 V CB 1.074 32.798 31.823 -0.166 0.000 0.988 121 V HN 0.534 nan 8.190 nan 0.000 0.440 122 F N 2.936 122.904 119.950 0.029 0.000 2.588 122 F HA 0.754 5.280 4.527 -0.000 0.000 0.314 122 F C 0.934 176.746 175.800 0.020 0.000 1.069 122 F CA -0.943 57.066 58.000 0.016 0.000 0.931 122 F CB 2.677 41.695 39.000 0.030 0.000 1.260 122 F HN 0.401 nan 8.300 nan 0.000 0.465 123 R N 0.032 120.653 120.500 0.203 0.000 2.549 123 R HA 0.253 4.593 4.340 -0.001 0.000 0.361 123 R C -0.890 175.470 176.300 0.100 0.000 0.969 123 R CA -0.056 56.113 56.100 0.116 0.000 1.158 123 R CB 1.021 31.362 30.300 0.069 0.000 1.456 123 R HN 0.445 nan 8.270 nan 0.000 0.540 124 E N 0.573 120.848 120.200 0.125 0.000 2.307 124 E HA 0.138 4.488 4.350 -0.001 0.000 0.280 124 E C -2.178 174.443 176.600 0.035 0.000 0.900 124 E CA -1.755 54.687 56.400 0.070 0.000 0.790 124 E CB 2.418 32.154 29.700 0.059 0.000 1.261 124 E HN -0.169 nan 8.360 nan 0.000 0.405 125 P HA -0.192 nan 4.420 nan 0.000 0.216 125 P C 1.365 178.614 177.300 -0.085 0.000 1.154 125 P CA 1.016 64.083 63.100 -0.055 0.000 0.865 125 P CB 0.363 32.043 31.700 -0.033 0.000 0.789 126 L N -0.240 120.955 121.223 -0.045 0.000 2.151 126 L HA -0.198 4.142 4.340 -0.001 0.000 0.215 126 L C 2.611 179.439 176.870 -0.069 0.000 1.084 126 L CA 1.908 56.723 54.840 -0.042 0.000 0.764 126 L CB -1.492 40.559 42.059 -0.014 0.000 0.891 126 L HN 0.014 nan 8.230 nan 0.000 0.435 127 E N -0.750 119.392 120.200 -0.096 0.000 2.079 127 E HA 0.075 4.424 4.350 -0.001 0.000 0.191 127 E C 2.402 178.710 176.600 -0.486 0.000 0.961 127 E CA 1.025 57.338 56.400 -0.144 0.000 0.823 127 E CB -0.452 29.278 29.700 0.049 0.000 0.789 127 E HN 0.362 nan 8.360 nan 0.000 0.459 128 A N 1.861 124.165 122.820 -0.859 0.000 1.997 128 A HA -0.203 4.117 4.320 -0.001 0.000 0.221 128 A C 2.361 179.643 177.584 -0.503 0.000 1.172 128 A CA 1.340 52.635 52.037 -1.237 0.000 0.645 128 A CB -0.848 17.745 19.000 -0.679 0.000 0.813 128 A HN 0.161 nan 8.150 nan 0.000 0.454 129 L N -1.128 119.925 121.223 -0.282 0.000 2.005 129 L HA -0.188 4.152 4.340 -0.001 0.000 0.207 129 L C 3.156 179.966 176.870 -0.100 0.000 1.072 129 L CA 1.154 55.905 54.840 -0.148 0.000 0.744 129 L CB -0.814 41.188 42.059 -0.096 0.000 0.895 129 L HN 0.426 nan 8.230 nan 0.000 0.433 130 A N -0.600 122.172 122.820 -0.080 0.000 1.917 130 A HA -0.320 4.000 4.320 -0.001 0.000 0.219 130 A C 2.254 179.869 177.584 0.051 0.000 1.182 130 A CA 1.919 53.948 52.037 -0.012 0.000 0.633 130 A CB -1.156 17.845 19.000 0.002 0.000 0.819 130 A HN 0.533 nan 8.150 nan 0.000 0.448 131 Y N -0.744 119.482 120.300 -0.124 0.000 2.181 131 Y HA -0.195 4.355 4.550 -0.001 0.000 0.288 131 Y C 2.132 178.019 175.900 -0.022 0.000 1.146 131 Y CA 1.172 59.250 58.100 -0.037 0.000 1.164 131 Y CB -0.098 38.369 38.460 0.011 0.000 0.982 131 Y HN 0.263 nan 8.280 nan 0.000 0.515 132 L N 1.033 122.193 121.223 -0.105 0.000 2.042 132 L HA -0.261 4.079 4.340 -0.001 0.000 0.210 132 L C 2.107 178.904 176.870 -0.120 0.000 1.076 132 L CA 1.906 56.651 54.840 -0.159 0.000 0.749 132 L CB -0.775 41.218 42.059 -0.109 0.000 0.893 132 L HN 0.314 nan 8.230 nan 0.000 0.432 133 E N -1.350 118.810 120.200 -0.066 0.000 2.274 133 E HA -0.226 4.124 4.350 -0.001 0.000 0.194 133 E C 1.865 178.445 176.600 -0.034 0.000 0.996 133 E CA 0.697 57.075 56.400 -0.038 0.000 0.840 133 E CB 0.123 29.814 29.700 -0.015 0.000 0.772 133 E HN 0.414 nan 8.360 nan 0.000 0.491 134 E N 0.669 120.846 120.200 -0.038 0.000 2.112 134 E HA -0.122 4.228 4.350 -0.001 0.000 0.190 134 E C 2.042 178.603 176.600 -0.065 0.000 0.979 134 E CA 1.000 57.395 56.400 -0.009 0.000 0.814 134 E CB 0.214 29.977 29.700 0.105 0.000 0.762 134 E HN 0.212 nan 8.360 nan 0.000 0.460 135 V N -3.315 116.489 119.914 -0.184 0.000 2.825 135 V HA 0.400 4.520 4.120 -0.001 0.000 0.246 135 V C 1.258 177.311 176.094 -0.069 0.000 1.068 135 V CA 0.808 63.014 62.300 -0.157 0.000 1.088 135 V CB -0.647 31.001 31.823 -0.291 0.000 0.733 135 V HN 0.319 nan 8.190 nan 0.000 0.468 136 G N 0.268 109.027 108.800 -0.069 0.000 2.698 136 G HA2 0.021 3.981 3.960 -0.001 0.000 0.225 136 G HA3 0.021 3.981 3.960 -0.001 0.000 0.225 136 G C -0.412 174.480 174.900 -0.013 0.000 1.345 136 G CA 0.145 45.230 45.100 -0.026 0.000 0.871 136 G HN 1.816 nan 8.290 nan 0.000 0.540 137 V N -2.177 117.744 119.914 0.011 0.000 2.715 137 V HA 0.872 4.992 4.120 -0.001 0.000 0.310 137 V C -1.759 174.363 176.094 0.047 0.000 1.054 137 V CA -1.735 60.578 62.300 0.022 0.000 0.928 137 V CB 1.321 33.169 31.823 0.042 0.000 1.007 137 V HN 0.842 nan 8.190 nan 0.000 0.437 138 P HA 0.572 nan 4.420 nan 0.000 0.274 138 P C -0.956 176.316 177.300 -0.045 0.000 1.237 138 P CA -0.251 62.791 63.100 -0.098 0.000 0.793 138 P CB 1.264 32.698 31.700 -0.443 0.000 0.977 139 V N 1.567 121.428 119.914 -0.088 0.000 2.971 139 V HA 0.413 4.533 4.120 -0.001 0.000 0.309 139 V C -1.144 174.930 176.094 -0.034 0.000 1.130 139 V CA -0.798 61.496 62.300 -0.010 0.000 0.964 139 V CB 2.483 34.277 31.823 -0.049 0.000 1.029 139 V HN 0.216 nan 8.190 nan 0.000 0.427 140 V N 6.096 126.035 119.914 0.042 0.000 2.427 140 V HA 0.577 4.696 4.120 -0.001 0.000 0.286 140 V C -0.293 175.818 176.094 0.029 0.000 1.034 140 V CA -0.472 61.843 62.300 0.024 0.000 0.893 140 V CB 1.556 33.421 31.823 0.070 0.000 0.982 140 V HN 0.654 nan 8.190 nan 0.000 0.452 141 V N 5.121 125.034 119.914 -0.001 0.000 2.376 141 V HA 0.460 4.579 4.120 -0.001 0.000 0.287 141 V C -0.122 175.983 176.094 0.017 0.000 1.015 141 V CA -0.701 61.613 62.300 0.024 0.000 0.834 141 V CB 1.479 33.298 31.823 -0.008 0.000 1.001 141 V HN 0.902 nan 8.190 nan 0.000 0.428 142 K N 3.671 124.097 120.400 0.042 0.000 2.323 142 K HA 0.340 4.659 4.320 -0.001 0.000 0.259 142 K C -0.576 176.045 176.600 0.035 0.000 0.947 142 K CA -0.646 55.656 56.287 0.025 0.000 0.819 142 K CB 1.595 34.102 32.500 0.013 0.000 1.109 142 K HN 0.697 nan 8.250 nan 0.000 0.429 143 D N 3.258 123.671 120.400 0.021 0.000 2.363 143 D HA -0.048 4.592 4.640 -0.001 0.000 0.263 143 D C 0.510 176.824 176.300 0.024 0.000 1.258 143 D CA 0.508 54.522 54.000 0.025 0.000 0.907 143 D CB 1.446 42.254 40.800 0.013 0.000 1.107 143 D HN 0.635 nan 8.370 nan 0.000 0.495 144 S N 2.820 118.541 115.700 0.035 0.000 2.343 144 S HA -0.088 4.382 4.470 -0.001 0.000 0.219 144 S C 1.827 176.438 174.600 0.019 0.000 1.033 144 S CA 1.311 59.528 58.200 0.029 0.000 1.014 144 S CB -0.333 62.891 63.200 0.041 0.000 0.915 144 S HN 0.674 nan 8.310 nan 0.000 0.435 145 G N 1.414 110.226 108.800 0.021 0.000 3.194 145 G HA2 0.280 4.239 3.960 -0.001 0.000 0.208 145 G HA3 0.280 4.239 3.960 -0.001 0.000 0.208 145 G C -0.165 174.741 174.900 0.010 0.000 1.240 145 G CA 0.187 45.296 45.100 0.015 0.000 1.044 145 G HN 0.398 nan 8.290 nan 0.000 0.495 146 L N -0.988 120.239 121.223 0.007 0.000 2.341 146 L HA 0.839 5.179 4.340 -0.001 0.000 0.254 146 L C 0.369 177.238 176.870 -0.001 0.000 1.040 146 L CA -1.087 53.754 54.840 0.002 0.000 0.837 146 L CB 1.365 43.425 42.059 0.001 0.000 1.425 146 L HN 0.097 nan 8.230 nan 0.000 0.414 147 A N 1.506 124.324 122.820 -0.005 0.000 2.632 147 A HA 0.389 4.709 4.320 -0.001 0.000 0.229 147 A C 0.339 177.916 177.584 -0.011 0.000 1.047 147 A CA 0.614 52.646 52.037 -0.008 0.000 0.754 147 A CB -0.561 18.433 19.000 -0.010 0.000 0.969 147 A HN 1.325 nan 8.150 nan 0.000 0.509 148 A N 1.779 124.591 122.820 -0.014 0.000 2.671 148 A HA 0.534 4.854 4.320 -0.001 0.000 0.306 148 A C 1.335 178.906 177.584 -0.022 0.000 1.473 148 A CA 0.572 52.597 52.037 -0.019 0.000 1.155 148 A CB -1.237 17.751 19.000 -0.019 0.000 1.123 148 A HN 2.666 nan 8.150 nan 0.000 0.545 149 G N 0.720 109.506 108.800 -0.022 0.000 2.273 149 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.162 149 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.162 149 G C 0.071 174.957 174.900 -0.022 0.000 1.006 149 G CA 0.133 45.218 45.100 -0.023 0.000 0.704 149 G HN 0.845 nan 8.290 nan 0.000 0.487 150 K N 0.325 120.713 120.400 -0.019 0.000 2.306 150 K HA 0.684 5.004 4.320 -0.001 0.000 0.236 150 K C 1.263 177.854 176.600 -0.015 0.000 1.013 150 K CA 0.352 56.628 56.287 -0.018 0.000 0.857 150 K CB 1.114 33.604 32.500 -0.017 0.000 1.214 150 K HN 1.399 nan 8.250 nan 0.000 0.449 151 G N 0.112 108.903 108.800 -0.016 0.000 2.203 151 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.263 151 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.263 151 G C -0.459 174.430 174.900 -0.017 0.000 1.012 151 G CA 0.524 45.615 45.100 -0.015 0.000 0.749 151 G HN 0.366 nan 8.290 nan 0.000 0.512 152 V N 1.405 121.306 119.914 -0.022 0.000 2.353 152 V HA 0.477 4.596 4.120 -0.001 0.000 0.264 152 V C 0.666 176.733 176.094 -0.044 0.000 1.049 152 V CA 0.170 62.455 62.300 -0.025 0.000 0.896 152 V CB 1.276 33.087 31.823 -0.020 0.000 1.025 152 V HN 0.287 nan 8.190 nan 0.000 0.475 153 T N 4.933 119.453 114.554 -0.057 0.000 2.771 153 T HA 0.452 4.801 4.350 -0.001 0.000 0.281 153 T C -0.119 174.494 174.700 -0.144 0.000 0.982 153 T CA -0.299 61.741 62.100 -0.101 0.000 0.978 153 T CB 1.496 70.304 68.868 -0.101 0.000 0.930 153 T HN 0.320 nan 8.240 nan 0.000 0.447 154 V N 3.396 123.169 119.914 -0.234 0.000 2.277 154 V HA 0.591 4.710 4.120 -0.001 0.000 0.269 154 V C 0.624 176.312 176.094 -0.677 0.000 1.036 154 V CA -1.028 61.053 62.300 -0.364 0.000 0.821 154 V CB 0.320 31.937 31.823 -0.343 0.000 1.052 154 V HN 1.068 nan 8.190 nan 0.000 0.462 155 A N 3.734 126.247 122.820 -0.511 0.000 2.304 155 A HA 0.792 5.112 4.320 -0.001 0.000 0.271 155 A C 0.152 177.386 177.584 -0.584 0.000 1.091 155 A CA -0.004 51.735 52.037 -0.497 0.000 0.812 155 A CB 0.419 19.279 19.000 -0.233 0.000 1.056 155 A HN 0.754 nan 8.150 nan 0.000 0.489 156 F N -1.113 118.787 119.950 -0.084 0.000 2.831 156 F HA 0.201 4.727 4.527 -0.001 0.000 0.334 156 F C -0.203 175.567 175.800 -0.049 0.000 1.071 156 F CA -0.371 57.578 58.000 -0.085 0.000 1.172 156 F CB 0.909 39.863 39.000 -0.077 0.000 1.054 156 F HN 0.379 nan 8.300 nan 0.000 0.572 157 D N 0.278 120.739 120.400 0.102 0.000 2.457 157 D HA 0.237 4.877 4.640 -0.001 0.000 0.240 157 D C 0.619 176.936 176.300 0.029 0.000 1.041 157 D CA -0.404 53.644 54.000 0.080 0.000 0.861 157 D CB 2.441 43.312 40.800 0.118 0.000 1.394 157 D HN -0.157 nan 8.370 nan 0.000 0.473 158 L N 2.485 123.730 121.223 0.037 0.000 2.141 158 L HA -0.091 4.248 4.340 -0.001 0.000 0.209 158 L C 1.827 178.701 176.870 0.006 0.000 1.094 158 L CA 2.050 56.894 54.840 0.007 0.000 0.763 158 L CB -0.823 41.244 42.059 0.014 0.000 0.908 158 L HN 0.604 nan 8.230 nan 0.000 0.437 159 H N -0.340 118.721 119.070 -0.015 0.000 2.299 159 H HA -0.209 4.347 4.556 -0.000 0.000 0.302 159 H C 2.272 177.588 175.328 -0.021 0.000 1.078 159 H CA 2.304 58.343 56.048 -0.015 0.000 1.323 159 H CB -0.143 29.614 29.762 -0.008 0.000 1.381 159 H HN 0.574 nan 8.280 nan 0.000 0.498 160 Q N -0.121 119.552 119.800 -0.211 0.000 2.226 160 Q HA -0.114 4.225 4.340 -0.001 0.000 0.204 160 Q C 2.190 178.058 176.000 -0.220 0.000 0.975 160 Q CA 1.301 56.958 55.803 -0.243 0.000 0.866 160 Q CB -0.232 28.459 28.738 -0.078 0.000 0.915 160 Q HN 0.577 nan 8.270 nan 0.000 0.440 161 A N 1.091 123.812 122.820 -0.165 0.000 1.897 161 A HA -0.141 4.179 4.320 -0.001 0.000 0.215 161 A C 2.033 179.538 177.584 -0.132 0.000 1.181 161 A CA 1.362 53.320 52.037 -0.131 0.000 0.620 161 A CB -0.441 18.498 19.000 -0.101 0.000 0.821 161 A HN 0.376 nan 8.150 nan 0.000 0.443 162 K N -0.447 119.861 120.400 -0.153 0.000 2.002 162 K HA -0.217 4.103 4.320 -0.001 0.000 0.209 162 K C 2.310 178.813 176.600 -0.163 0.000 1.048 162 K CA 1.701 57.908 56.287 -0.134 0.000 0.930 162 K CB -0.226 32.208 32.500 -0.109 0.000 0.714 162 K HN 0.581 nan 8.250 nan 0.000 0.438 163 Q N -0.251 119.377 119.800 -0.287 0.000 2.291 163 Q HA -0.147 4.192 4.340 -0.001 0.000 0.206 163 Q C 1.571 177.484 176.000 -0.146 0.000 0.976 163 Q CA 1.228 56.882 55.803 -0.247 0.000 0.875 163 Q CB -0.003 28.487 28.738 -0.413 0.000 0.927 163 Q HN 0.432 nan 8.270 nan 0.000 0.450 164 A N -0.095 122.641 122.820 -0.139 0.000 1.898 164 A HA -0.061 4.259 4.320 -0.001 0.000 0.214 164 A C 2.032 179.585 177.584 -0.052 0.000 1.183 164 A CA 1.023 53.007 52.037 -0.089 0.000 0.622 164 A CB -0.656 18.288 19.000 -0.093 0.000 0.824 164 A HN 0.319 nan 8.150 nan 0.000 0.444 165 V N -0.092 119.793 119.914 -0.049 0.000 2.379 165 V HA -0.090 4.030 4.120 -0.001 0.000 0.245 165 V C 2.722 178.806 176.094 -0.016 0.000 1.044 165 V CA 2.135 64.425 62.300 -0.016 0.000 1.036 165 V CB -0.656 31.154 31.823 -0.021 0.000 0.664 165 V HN 0.568 nan 8.190 nan 0.000 0.453 166 A N 0.332 123.131 122.820 -0.035 0.000 1.883 166 A HA -0.281 4.039 4.320 -0.001 0.000 0.217 166 A C 1.830 179.405 177.584 -0.016 0.000 1.186 166 A CA 2.227 54.248 52.037 -0.025 0.000 0.624 166 A CB -1.146 17.834 19.000 -0.034 0.000 0.822 166 A HN 0.760 nan 8.150 nan 0.000 0.444 167 N N -0.701 117.985 118.700 -0.023 0.000 2.678 167 N HA 0.082 4.822 4.740 -0.001 0.000 0.199 167 N C 0.718 176.224 175.510 -0.006 0.000 1.353 167 N CA 0.409 53.450 53.050 -0.015 0.000 0.916 167 N CB -0.097 38.377 38.487 -0.022 0.000 1.057 167 N HN 0.578 nan 8.380 nan 0.000 0.449 168 I N -1.411 119.160 120.570 0.001 0.000 4.399 168 I HA -0.019 4.151 4.170 -0.001 0.000 0.301 168 I C 0.465 176.593 176.117 0.017 0.000 1.198 168 I CA 0.152 61.458 61.300 0.011 0.000 1.315 168 I CB 0.478 38.489 38.000 0.018 0.000 1.452 168 I HN -0.013 nan 8.210 nan 0.000 0.457 169 L N 1.364 122.598 121.223 0.018 0.000 2.611 169 L HA 0.187 4.526 4.340 -0.001 0.000 0.229 169 L C 0.877 177.756 176.870 0.014 0.000 1.137 169 L CA 0.955 55.808 54.840 0.023 0.000 0.901 169 L CB -0.592 41.484 42.059 0.029 0.000 1.098 169 L HN 0.202 nan 8.230 nan 0.000 0.456 170 N N -1.316 117.389 118.700 0.009 0.000 2.160 170 N HA 0.183 4.922 4.740 -0.001 0.000 0.226 170 N C 0.955 176.469 175.510 0.006 0.000 1.256 170 N CA -0.065 52.988 53.050 0.006 0.000 0.890 170 N CB 0.802 39.291 38.487 0.003 0.000 1.116 170 N HN 0.203 nan 8.380 nan 0.000 0.517 171 R N 0.774 121.278 120.500 0.007 0.000 2.212 171 R HA 0.197 4.537 4.340 -0.001 0.000 0.095 171 R C 1.704 178.008 176.300 0.006 0.000 0.528 171 R CA 0.823 56.927 56.100 0.006 0.000 1.881 171 R CB -0.192 30.112 30.300 0.007 0.000 0.492 171 R HN 0.039 nan 8.270 nan 0.000 0.693 172 A N 0.105 122.929 122.820 0.006 0.000 1.826 172 A HA -0.146 4.173 4.320 -0.001 0.000 0.214 172 A C 1.820 179.409 177.584 0.007 0.000 1.212 172 A CA 1.874 53.915 52.037 0.006 0.000 0.605 172 A CB -0.351 18.652 19.000 0.006 0.000 0.861 172 A HN 0.650 nan 8.150 nan 0.000 0.447 173 E N -1.914 118.291 120.200 0.009 0.000 3.555 173 E HA 0.328 4.677 4.350 -0.001 0.000 0.187 173 E C 1.209 177.816 176.600 0.013 0.000 1.267 173 E CA 0.458 56.864 56.400 0.010 0.000 1.353 173 E CB -0.662 29.043 29.700 0.009 0.000 2.031 173 E HN 0.458 nan 8.360 nan 0.000 0.522 174 G N -0.858 107.950 108.800 0.013 0.000 2.794 174 G HA2 0.372 4.331 3.960 -0.001 0.000 0.249 174 G HA3 0.372 4.331 3.960 -0.001 0.000 0.249 174 G C 0.249 175.161 174.900 0.019 0.000 1.236 174 G CA 0.213 45.322 45.100 0.016 0.000 0.880 174 G HN 0.874 nan 8.290 nan 0.000 0.586 175 G N -0.712 108.102 108.800 0.024 0.000 2.225 175 G HA2 0.330 4.290 3.960 -0.001 0.000 0.184 175 G HA3 0.330 4.290 3.960 -0.001 0.000 0.184 175 G C -0.860 174.065 174.900 0.042 0.000 2.549 175 G CA -0.282 44.836 45.100 0.030 0.000 0.925 175 G HN 0.718 nan 8.290 nan 0.000 0.550 176 E N 1.456 121.683 120.200 0.045 0.000 2.165 176 E HA 0.629 4.979 4.350 -0.001 0.000 0.266 176 E C -0.754 175.889 176.600 0.073 0.000 0.889 176 E CA -0.819 55.616 56.400 0.058 0.000 0.756 176 E CB 2.451 32.177 29.700 0.043 0.000 1.131 176 E HN 0.414 nan 8.360 nan 0.000 0.411 177 V N 4.807 124.789 119.914 0.113 0.000 2.667 177 V HA 0.596 4.716 4.120 -0.001 0.000 0.308 177 V C -1.083 175.121 176.094 0.183 0.000 1.048 177 V CA -0.555 61.830 62.300 0.141 0.000 0.928 177 V CB 1.915 33.838 31.823 0.166 0.000 1.004 177 V HN 0.507 nan 8.190 nan 0.000 0.444 178 V N 6.427 126.445 119.914 0.174 0.000 2.588 178 V HA 0.675 4.795 4.120 -0.001 0.000 0.304 178 V C -0.992 175.254 176.094 0.253 0.000 1.042 178 V CA -0.227 62.199 62.300 0.209 0.000 0.877 178 V CB 2.196 34.114 31.823 0.157 0.000 0.996 178 V HN 0.723 nan 8.190 nan 0.000 0.425 179 V N 7.288 127.426 119.914 0.374 0.000 2.407 179 V HA 0.542 4.662 4.120 -0.001 0.000 0.291 179 V C -0.328 175.991 176.094 0.375 0.000 1.018 179 V CA -0.539 61.975 62.300 0.357 0.000 0.842 179 V CB 1.625 33.739 31.823 0.485 0.000 0.996 179 V HN 0.983 nan 8.190 nan 0.000 0.426 180 E N 3.164 123.505 120.200 0.235 0.000 2.210 180 E HA 0.525 4.875 4.350 -0.001 0.000 0.266 180 E C -0.451 176.233 176.600 0.139 0.000 0.883 180 E CA -0.811 55.728 56.400 0.232 0.000 0.761 180 E CB 2.390 32.188 29.700 0.165 0.000 1.156 180 E HN 0.676 nan 8.360 nan 0.000 0.412 181 E N 3.025 123.300 120.200 0.125 0.000 2.502 181 E HA -0.128 4.221 4.350 -0.001 0.000 0.261 181 E C -1.288 175.376 176.600 0.107 0.000 0.974 181 E CA -0.192 56.256 56.400 0.079 0.000 0.936 181 E CB 0.459 30.200 29.700 0.069 0.000 0.926 181 E HN 0.582 nan 8.360 nan 0.000 0.459 182 Y N 5.336 125.639 120.300 0.004 0.000 2.365 182 Y HA 0.277 4.827 4.550 -0.000 0.000 0.340 182 Y C -0.770 175.141 175.900 0.020 0.000 1.016 182 Y CA -0.386 57.722 58.100 0.013 0.000 1.196 182 Y CB 0.425 38.897 38.460 0.020 0.000 1.167 182 Y HN 0.429 nan 8.280 nan 0.000 0.509 183 L N 5.990 126.931 121.223 -0.471 0.000 2.334 183 L HA 0.433 4.773 4.340 -0.001 0.000 0.275 183 L C -0.362 176.243 176.870 -0.441 0.000 1.036 183 L CA -0.920 53.728 54.840 -0.321 0.000 0.807 183 L CB 1.295 43.232 42.059 -0.202 0.000 1.231 183 L HN 0.509 nan 8.230 nan 0.000 0.438 184 E N 1.870 121.965 120.200 -0.175 0.000 2.179 184 E HA 0.734 5.084 4.350 -0.001 0.000 0.275 184 E C -0.188 176.372 176.600 -0.067 0.000 0.945 184 E CA -0.367 55.979 56.400 -0.089 0.000 0.792 184 E CB 2.129 31.843 29.700 0.023 0.000 1.125 184 E HN 0.760 nan 8.360 nan 0.000 0.397 185 G N 2.151 110.919 108.800 -0.053 0.000 2.312 185 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.347 185 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.347 185 G C -0.962 173.916 174.900 -0.038 0.000 1.564 185 G CA -1.027 44.055 45.100 -0.031 0.000 0.981 185 G HN 0.370 nan 8.290 nan 0.000 0.678 186 E N 0.219 120.415 120.200 -0.007 0.000 2.415 186 E HA 0.302 4.652 4.350 -0.001 0.000 0.262 186 E C 0.576 177.124 176.600 -0.087 0.000 1.038 186 E CA 0.283 56.671 56.400 -0.021 0.000 0.921 186 E CB 0.638 30.379 29.700 0.067 0.000 0.950 186 E HN 0.596 nan 8.360 nan 0.000 0.438 187 E N 1.350 121.461 120.200 -0.148 0.000 2.134 187 E HA 0.587 4.936 4.350 -0.001 0.000 0.278 187 E C -1.140 175.273 176.600 -0.312 0.000 0.959 187 E CA -0.864 55.425 56.400 -0.184 0.000 0.783 187 E CB 1.563 31.175 29.700 -0.146 0.000 1.095 187 E HN 0.377 nan 8.360 nan 0.000 0.399 188 A N 3.128 125.756 122.820 -0.320 0.000 2.344 188 A HA 0.727 5.047 4.320 -0.001 0.000 0.307 188 A C -0.544 176.859 177.584 -0.302 0.000 1.151 188 A CA -0.800 50.965 52.037 -0.452 0.000 0.842 188 A CB 1.952 20.683 19.000 -0.447 0.000 1.350 188 A HN 0.592 nan 8.150 nan 0.000 0.459 189 T N 0.758 115.132 114.554 -0.300 0.000 2.840 189 T HA 0.500 4.850 4.350 -0.001 0.000 0.287 189 T C -1.092 173.455 174.700 -0.255 0.000 0.991 189 T CA -0.232 61.676 62.100 -0.320 0.000 0.964 189 T CB 1.134 69.794 68.868 -0.347 0.000 0.954 189 T HN 0.446 nan 8.240 nan 0.000 0.438 190 V N 5.355 125.122 119.914 -0.245 0.000 2.347 190 V HA 0.461 4.580 4.120 -0.001 0.000 0.280 190 V C -0.295 175.720 176.094 -0.132 0.000 1.021 190 V CA -0.643 61.579 62.300 -0.130 0.000 0.847 190 V CB 1.011 32.796 31.823 -0.062 0.000 0.990 190 V HN 0.722 nan 8.190 nan 0.000 0.444 191 L N 4.722 125.914 121.223 -0.052 0.000 2.317 191 L HA 0.923 5.263 4.340 -0.001 0.000 0.281 191 L C 0.162 177.095 176.870 0.105 0.000 1.024 191 L CA -0.128 54.731 54.840 0.031 0.000 0.810 191 L CB 1.834 43.977 42.059 0.140 0.000 1.240 191 L HN 0.737 nan 8.230 nan 0.000 0.427 192 A N 3.165 126.046 122.820 0.102 0.000 2.556 192 A HA 0.846 5.166 4.320 -0.001 0.000 0.294 192 A C -1.518 176.132 177.584 0.109 0.000 1.091 192 A CA -0.525 51.585 52.037 0.121 0.000 0.704 192 A CB 1.480 20.534 19.000 0.090 0.000 1.300 192 A HN 0.445 nan 8.150 nan 0.000 0.406 193 L N 0.403 121.709 121.223 0.137 0.000 2.360 193 L HA 0.796 5.135 4.340 -0.001 0.000 0.271 193 L C 0.583 177.521 176.870 0.113 0.000 1.057 193 L CA 0.087 55.015 54.840 0.146 0.000 0.803 193 L CB 1.975 44.153 42.059 0.198 0.000 1.207 193 L HN 0.752 nan 8.230 nan 0.000 0.445 194 T N -0.487 114.133 114.554 0.109 0.000 2.937 194 T HA 0.196 4.546 4.350 -0.001 0.000 0.297 194 T C 0.253 175.003 174.700 0.083 0.000 0.991 194 T CA -0.494 61.662 62.100 0.092 0.000 0.990 194 T CB 0.885 69.813 68.868 0.099 0.000 0.991 194 T HN 0.685 nan 8.240 nan 0.000 0.440 195 D N 3.250 123.690 120.400 0.067 0.000 2.310 195 D HA 0.174 4.813 4.640 -0.001 0.000 0.212 195 D C 1.727 178.051 176.300 0.040 0.000 0.965 195 D CA 2.045 56.076 54.000 0.052 0.000 0.879 195 D CB -0.082 40.745 40.800 0.045 0.000 0.921 195 D HN 1.006 nan 8.370 nan 0.000 0.510 196 G N 0.120 108.953 108.800 0.055 0.000 2.259 196 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.217 196 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.217 196 G C 0.997 175.916 174.900 0.032 0.000 1.001 196 G CA 0.549 45.682 45.100 0.056 0.000 0.627 196 G HN 0.527 nan 8.290 nan 0.000 0.501 197 E N -0.665 119.550 120.200 0.026 0.000 2.367 197 E HA 0.314 4.664 4.350 -0.001 0.000 0.204 197 E C 0.753 177.363 176.600 0.016 0.000 0.840 197 E CA 0.900 57.310 56.400 0.017 0.000 1.051 197 E CB 0.468 30.178 29.700 0.018 0.000 1.051 197 E HN 0.333 nan 8.360 nan 0.000 0.509 198 T N 1.735 116.304 114.554 0.026 0.000 2.952 198 T HA 0.652 5.001 4.350 -0.001 0.000 0.286 198 T C -0.215 174.506 174.700 0.035 0.000 1.024 198 T CA -0.697 61.420 62.100 0.029 0.000 1.029 198 T CB 1.533 70.422 68.868 0.035 0.000 1.094 198 T HN 0.268 nan 8.240 nan 0.000 0.515 199 I N 0.265 120.858 120.570 0.037 0.000 2.563 199 I HA 0.449 4.619 4.170 -0.001 0.000 0.285 199 I C -1.826 174.328 176.117 0.062 0.000 1.123 199 I CA -1.144 60.183 61.300 0.046 0.000 1.059 199 I CB 1.209 39.221 38.000 0.021 0.000 1.229 199 I HN 0.242 nan 8.210 nan 0.000 0.442 200 L N 7.668 128.943 121.223 0.087 0.000 2.324 200 L HA 0.577 4.916 4.340 -0.001 0.000 0.274 200 L C -2.154 174.804 176.870 0.147 0.000 1.012 200 L CA -1.575 53.331 54.840 0.110 0.000 0.859 200 L CB 0.758 42.884 42.059 0.111 0.000 1.224 200 L HN 0.401 nan 8.230 nan 0.000 0.429 201 P HA 0.135 nan 4.420 nan 0.000 0.270 201 P C -0.372 177.072 177.300 0.240 0.000 1.223 201 P CA -0.129 63.060 63.100 0.148 0.000 0.785 201 P CB 1.167 32.925 31.700 0.096 0.000 0.923 202 L N 0.710 122.084 121.223 0.251 0.000 2.635 202 L HA 0.414 4.753 4.340 -0.001 0.000 0.250 202 L C 1.000 177.831 176.870 -0.065 0.000 1.117 202 L CA -1.466 53.608 54.840 0.390 0.000 0.834 202 L CB -0.121 42.230 42.059 0.487 0.000 1.544 202 L HN 0.200 nan 8.230 nan 0.000 0.511 203 L N 2.583 123.396 121.223 -0.683 0.000 2.513 203 L HA 0.117 4.457 4.340 -0.001 0.000 0.272 203 L C -1.952 174.748 176.870 -0.283 0.000 1.187 203 L CA -1.542 52.883 54.840 -0.692 0.000 0.895 203 L CB -0.017 41.430 42.059 -1.020 0.000 1.147 203 L HN 0.265 nan 8.230 nan 0.000 0.483 204 P HA 0.047 nan 4.420 nan 0.000 0.268 204 P C -0.708 176.586 177.300 -0.011 0.000 1.204 204 P CA -0.170 62.902 63.100 -0.047 0.000 0.768 204 P CB 1.157 32.871 31.700 0.024 0.000 0.842 205 S N 1.953 117.631 115.700 -0.038 0.000 2.671 205 S HA 0.534 5.003 4.470 -0.001 0.000 0.299 205 S C -0.823 173.696 174.600 -0.135 0.000 1.116 205 S CA -0.765 57.426 58.200 -0.014 0.000 0.912 205 S CB 2.066 65.267 63.200 0.002 0.000 1.130 205 S HN 0.545 nan 8.310 nan 0.000 0.501 206 Q N 0.841 120.572 119.800 -0.115 0.000 2.309 206 Q HA 0.366 4.706 4.340 -0.001 0.000 0.270 206 Q C -1.578 174.305 176.000 -0.195 0.000 1.023 206 Q CA -0.552 55.072 55.803 -0.299 0.000 0.758 206 Q CB 1.550 30.003 28.738 -0.475 0.000 1.247 206 Q HN 0.765 nan 8.270 nan 0.000 0.455 207 D N 1.266 121.551 120.400 -0.193 0.000 2.423 207 D HA 0.219 4.859 4.640 -0.001 0.000 0.255 207 D C -0.809 175.300 176.300 -0.318 0.000 1.174 207 D CA -0.052 53.910 54.000 -0.064 0.000 1.008 207 D CB 0.828 41.659 40.800 0.051 0.000 1.101 207 D HN 0.687 nan 8.370 nan 0.000 0.516 208 H N 2.099 121.207 119.070 0.062 0.000 2.569 208 H HA 0.116 4.671 4.556 -0.001 0.000 0.247 208 H C 0.658 176.032 175.328 0.077 0.000 1.346 208 H CA -0.608 55.479 56.048 0.066 0.000 1.502 208 H CB 1.227 31.040 29.762 0.084 0.000 1.512 208 H HN 0.196 nan 8.280 nan 0.000 0.502 209 K N 0.765 121.232 120.400 0.111 0.000 2.020 209 K HA -0.059 4.261 4.320 -0.001 0.000 0.212 209 K C 1.089 177.748 176.600 0.098 0.000 1.050 209 K CA 0.815 57.160 56.287 0.096 0.000 0.929 209 K CB 0.057 32.588 32.500 0.051 0.000 0.714 209 K HN 0.337 nan 8.250 nan 0.000 0.443 210 R N 1.563 122.116 120.500 0.089 0.000 2.698 210 R HA -0.052 4.287 4.340 -0.001 0.000 0.266 210 R C 1.759 178.112 176.300 0.089 0.000 1.026 210 R CA 0.102 56.246 56.100 0.074 0.000 1.102 210 R CB -0.184 30.158 30.300 0.070 0.000 0.978 210 R HN 0.193 nan 8.270 nan 0.000 0.436 211 L N 1.995 123.252 121.223 0.056 0.000 1.948 211 L HA -0.069 4.271 4.340 -0.001 0.000 0.212 211 L C 0.661 177.574 176.870 0.072 0.000 1.074 211 L CA 1.613 56.492 54.840 0.066 0.000 0.753 211 L CB 0.032 42.100 42.059 0.016 0.000 0.888 211 L HN 0.383 nan 8.230 nan 0.000 0.432 212 L N -0.332 120.917 121.223 0.043 0.000 2.431 212 L HA 0.188 4.528 4.340 -0.001 0.000 0.260 212 L C -0.392 176.497 176.870 0.032 0.000 1.098 212 L CA -1.060 53.796 54.840 0.026 0.000 0.800 212 L CB 0.360 42.422 42.059 0.005 0.000 1.210 212 L HN 0.105 nan 8.230 nan 0.000 0.465 213 D N 0.601 121.006 120.400 0.007 0.000 2.472 213 D HA 0.319 4.959 4.640 -0.001 0.000 0.237 213 D C 0.908 177.220 176.300 0.020 0.000 1.141 213 D CA 1.360 55.366 54.000 0.009 0.000 0.875 213 D CB 0.445 41.229 40.800 -0.027 0.000 1.192 213 D HN 0.807 nan 8.370 nan 0.000 0.450 214 G N 1.799 110.620 108.800 0.035 0.000 2.137 214 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.237 214 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.237 214 G C -0.120 174.812 174.900 0.053 0.000 1.002 214 G CA -0.053 45.070 45.100 0.039 0.000 0.702 214 G HN 0.686 nan 8.290 nan 0.000 0.515 215 D N -0.840 119.602 120.400 0.070 0.000 2.699 215 D HA -0.134 4.506 4.640 -0.001 0.000 0.239 215 D C 0.825 177.161 176.300 0.060 0.000 1.136 215 D CA 1.869 55.914 54.000 0.076 0.000 0.668 215 D CB -0.557 40.289 40.800 0.077 0.000 1.060 215 D HN 0.690 nan 8.370 nan 0.000 0.429 216 Q N -0.450 119.379 119.800 0.048 0.000 2.286 216 Q HA 0.736 5.076 4.340 -0.001 0.000 0.250 216 Q C 1.320 177.338 176.000 0.029 0.000 1.021 216 Q CA 0.036 55.861 55.803 0.037 0.000 0.930 216 Q CB 1.324 30.077 28.738 0.025 0.000 1.266 216 Q HN 0.370 nan 8.270 nan 0.000 0.491 217 G N 1.168 109.980 108.800 0.019 0.000 2.693 217 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.226 217 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.226 217 G C -2.497 172.403 174.900 -0.001 0.000 1.354 217 G CA -0.344 44.760 45.100 0.005 0.000 0.873 217 G HN 0.519 nan 8.290 nan 0.000 0.562 221 G N -0.293 108.650 108.800 0.239 0.000 2.432 221 G HA2 0.441 4.401 3.960 -0.001 0.000 0.219 221 G HA3 0.441 4.401 3.960 -0.001 0.000 0.219 221 G C 0.942 175.941 174.900 0.166 0.000 1.135 221 G CA 0.780 45.988 45.100 0.179 0.000 0.767 221 G HN 1.769 nan 8.290 nan 0.000 0.550 225 A N -0.885 122.076 122.820 0.235 0.000 2.572 225 A HA 1.022 5.341 4.320 -0.001 0.000 0.295 225 A C -0.600 177.109 177.584 0.209 0.000 1.072 225 A CA -0.185 52.016 52.037 0.273 0.000 0.691 225 A CB 1.878 20.986 19.000 0.180 0.000 1.291 225 A HN 2.366 nan 8.150 nan 0.000 0.404 226 V N -1.968 118.077 119.914 0.218 0.000 2.841 226 V HA 1.023 5.142 4.120 -0.001 0.000 0.310 226 V C -0.379 175.795 176.094 0.133 0.000 1.090 226 V CA -0.124 62.280 62.300 0.173 0.000 0.930 226 V CB 1.141 33.095 31.823 0.218 0.000 1.014 226 V HN 2.514 nan 8.190 nan 0.000 0.425 227 A N 4.791 127.665 122.820 0.090 0.000 2.589 227 A HA 0.990 5.310 4.320 -0.001 0.000 0.296 227 A C -3.265 174.327 177.584 0.014 0.000 1.062 227 A CA -1.415 50.647 52.037 0.042 0.000 0.686 227 A CB 2.110 21.109 19.000 -0.001 0.000 1.282 227 A HN 0.799 nan 8.150 nan 0.000 0.404 228 P HA 0.261 nan 4.420 nan 0.000 0.276 228 P C -1.232 176.085 177.300 0.027 0.000 1.244 228 P CA -0.048 63.020 63.100 -0.054 0.000 0.801 228 P CB 0.595 32.222 31.700 -0.122 0.000 1.006 229 Y N 2.485 122.742 120.300 -0.071 0.000 2.341 229 Y HA 0.397 4.947 4.550 -0.001 0.000 0.340 229 Y C -1.993 173.879 175.900 -0.047 0.000 0.997 229 Y CA -2.178 55.896 58.100 -0.044 0.000 1.149 229 Y CB -0.019 38.413 38.460 -0.047 0.000 1.171 229 Y HN 0.334 nan 8.280 nan 0.000 0.494 233 E N 2.146 122.340 120.200 -0.009 0.000 2.352 233 E HA -0.273 4.077 4.350 -0.001 0.000 0.203 233 E C 1.393 177.997 176.600 0.007 0.000 1.024 233 E CA 1.415 57.815 56.400 0.000 0.000 0.842 233 E CB -0.432 29.269 29.700 0.001 0.000 0.753 233 E HN 0.421 nan 8.360 nan 0.000 0.508 234 A N 1.478 124.302 122.820 0.005 0.000 1.854 234 A HA -0.091 4.229 4.320 -0.001 0.000 0.214 234 A C 2.470 180.060 177.584 0.011 0.000 1.192 234 A CA 1.901 53.943 52.037 0.008 0.000 0.611 234 A CB -0.929 18.075 19.000 0.006 0.000 0.832 234 A HN 0.310 nan 8.150 nan 0.000 0.442 235 T N 0.771 115.332 114.554 0.011 0.000 2.746 235 T HA -0.122 4.228 4.350 -0.001 0.000 0.267 235 T C 1.856 176.566 174.700 0.017 0.000 1.039 235 T CA 1.269 63.379 62.100 0.015 0.000 1.142 235 T CB -0.354 68.526 68.868 0.020 0.000 0.866 235 T HN 0.326 nan 8.240 nan 0.000 0.444 236 L N 1.452 122.685 121.223 0.017 0.000 2.079 236 L HA -0.073 4.266 4.340 -0.001 0.000 0.210 236 L C 2.464 179.346 176.870 0.020 0.000 1.081 236 L CA 1.799 56.650 54.840 0.018 0.000 0.752 236 L CB -0.718 41.349 42.059 0.014 0.000 0.896 236 L HN 0.223 nan 8.230 nan 0.000 0.433 237 R N -0.081 120.430 120.500 0.019 0.000 2.066 237 R HA -0.203 4.136 4.340 -0.001 0.000 0.232 237 R C 2.521 178.834 176.300 0.021 0.000 1.131 237 R CA 1.502 57.615 56.100 0.020 0.000 0.955 237 R CB -0.279 30.031 30.300 0.018 0.000 0.851 237 R HN 0.329 nan 8.270 nan 0.000 0.432 238 R N 0.515 121.026 120.500 0.019 0.000 2.091 238 R HA -0.118 4.222 4.340 -0.001 0.000 0.238 238 R C 2.269 178.583 176.300 0.024 0.000 1.136 238 R CA 1.889 58.001 56.100 0.020 0.000 0.959 238 R CB -0.313 29.998 30.300 0.017 0.000 0.856 238 R HN 0.328 nan 8.270 nan 0.000 0.437 239 V N -1.611 118.317 119.914 0.023 0.000 2.594 239 V HA -0.144 3.976 4.120 -0.001 0.000 0.253 239 V C 1.492 177.608 176.094 0.036 0.000 1.069 239 V CA 1.768 64.086 62.300 0.029 0.000 1.082 239 V CB -0.416 31.420 31.823 0.021 0.000 0.680 239 V HN 0.309 nan 8.190 nan 0.000 0.469 240 E N 1.110 121.328 120.200 0.031 0.000 2.112 240 E HA -0.134 4.216 4.350 -0.001 0.000 0.190 240 E C 2.241 178.854 176.600 0.023 0.000 0.979 240 E CA 1.423 57.841 56.400 0.030 0.000 0.814 240 E CB -0.010 29.710 29.700 0.032 0.000 0.762 240 E HN 0.965 nan 8.360 nan 0.000 0.460 241 E N 0.360 120.574 120.200 0.024 0.000 2.364 241 E HA 0.017 4.367 4.350 -0.001 0.000 0.196 241 E C 1.447 178.062 176.600 0.024 0.000 0.990 241 E CA 0.297 56.710 56.400 0.021 0.000 0.886 241 E CB 0.169 29.883 29.700 0.023 0.000 0.866 241 E HN 0.120 nan 8.360 nan 0.000 0.493 242 E N 0.230 120.447 120.200 0.029 0.000 2.431 242 E HA 0.195 4.545 4.350 -0.001 0.000 0.200 242 E C 1.495 178.122 176.600 0.044 0.000 0.995 242 E CA 0.115 56.537 56.400 0.036 0.000 0.915 242 E CB 0.588 30.309 29.700 0.035 0.000 0.930 242 E HN 0.307 nan 8.360 nan 0.000 0.496 243 I N -0.424 120.176 120.570 0.050 0.000 3.674 243 I HA -0.049 4.120 4.170 -0.001 0.000 0.248 243 I C 1.886 178.038 176.117 0.058 0.000 1.134 243 I CA 0.053 61.411 61.300 0.097 0.000 1.519 243 I CB -0.070 38.012 38.000 0.136 0.000 1.598 243 I HN -0.023 nan 8.210 nan 0.000 0.442 244 L N 1.244 122.497 121.223 0.050 0.000 1.970 244 L HA -0.154 4.186 4.340 -0.001 0.000 0.212 244 L C 2.664 179.491 176.870 -0.072 0.000 1.071 244 L CA 2.104 56.940 54.840 -0.006 0.000 0.751 244 L CB -1.339 40.732 42.059 0.020 0.000 0.889 244 L HN 0.414 nan 8.230 nan 0.000 0.432 245 G N 0.775 109.549 108.800 -0.044 0.000 2.586 245 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.218 245 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.218 245 G C -0.477 174.350 174.900 -0.123 0.000 1.216 245 G CA 1.250 46.315 45.100 -0.058 0.000 0.786 245 G HN 0.344 nan 8.290 nan 0.000 0.583 246 P HA -0.075 nan 4.420 nan 0.000 0.219 246 P C 2.110 179.100 177.300 -0.516 0.000 1.146 246 P CA 0.884 63.782 63.100 -0.336 0.000 0.808 246 P CB -0.087 31.480 31.700 -0.221 0.000 0.779 247 L N 0.573 121.577 121.223 -0.365 0.000 1.989 247 L HA -0.150 4.190 4.340 -0.001 0.000 0.211 247 L C 2.437 179.116 176.870 -0.319 0.000 1.071 247 L CA 1.919 56.509 54.840 -0.416 0.000 0.749 247 L CB -1.449 40.312 42.059 -0.497 0.000 0.890 247 L HN -0.223 nan 8.230 nan 0.000 0.431 248 V N 0.353 120.113 119.914 -0.257 0.000 2.287 248 V HA -0.298 3.821 4.120 -0.001 0.000 0.248 248 V C 2.850 178.855 176.094 -0.148 0.000 1.053 248 V CA 2.060 64.250 62.300 -0.183 0.000 1.027 248 V CB -1.007 30.747 31.823 -0.115 0.000 0.646 248 V HN 0.513 nan 8.190 nan 0.000 0.447 249 R N 0.724 121.111 120.500 -0.188 0.000 2.113 249 R HA -0.176 4.164 4.340 -0.001 0.000 0.231 249 R C 2.475 178.690 176.300 -0.142 0.000 1.129 249 R CA 2.232 58.242 56.100 -0.149 0.000 0.915 249 R CB -1.385 28.809 30.300 -0.177 0.000 0.837 249 R HN 0.526 nan 8.270 nan 0.000 0.430 250 G N 1.136 109.685 108.800 -0.419 0.000 2.517 250 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.222 250 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.222 250 G C 1.725 176.747 174.900 0.203 0.000 1.109 250 G CA 0.730 45.754 45.100 -0.126 0.000 0.746 250 G HN 0.296 nan 8.290 nan 0.000 0.576 251 L N -0.769 120.513 121.223 0.097 0.000 2.044 251 L HA 0.058 4.398 4.340 -0.001 0.000 0.205 251 L C 2.962 179.832 176.870 -0.001 0.000 1.075 251 L CA 0.921 55.760 54.840 -0.001 0.000 0.747 251 L CB -0.314 41.664 42.059 -0.134 0.000 0.903 251 L HN 0.169 nan 8.230 nan 0.000 0.435 252 R N -0.062 120.440 120.500 0.003 0.000 2.152 252 R HA -0.168 4.171 4.340 -0.001 0.000 0.232 252 R C 2.180 178.507 176.300 0.044 0.000 1.117 252 R CA 1.156 57.267 56.100 0.018 0.000 0.981 252 R CB -0.097 30.212 30.300 0.015 0.000 0.870 252 R HN 0.373 nan 8.270 nan 0.000 0.451 253 A N 1.058 123.927 122.820 0.081 0.000 1.873 253 A HA -0.115 4.205 4.320 -0.001 0.000 0.215 253 A C 1.519 179.160 177.584 0.094 0.000 1.186 253 A CA 1.202 53.309 52.037 0.116 0.000 0.616 253 A CB -0.211 18.915 19.000 0.209 0.000 0.823 253 A HN 0.274 nan 8.150 nan 0.000 0.442 254 E N -0.340 119.916 120.200 0.092 0.000 2.533 254 E HA 0.117 4.467 4.350 -0.001 0.000 0.201 254 E C 1.107 177.715 176.600 0.012 0.000 1.097 254 E CA 0.621 57.051 56.400 0.049 0.000 0.887 254 E CB -0.992 28.703 29.700 -0.009 0.000 0.855 254 E HN 0.871 nan 8.360 nan 0.000 0.540 255 G N 0.870 109.681 108.800 0.018 0.000 2.198 255 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.257 255 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.257 255 G C 0.275 175.172 174.900 -0.005 0.000 1.042 255 G CA 0.479 45.584 45.100 0.008 0.000 0.791 255 G HN 0.349 nan 8.290 nan 0.000 0.502 256 V N -2.909 116.998 119.914 -0.012 0.000 2.577 256 V HA 0.794 4.914 4.120 -0.001 0.000 0.303 256 V C 0.291 176.388 176.094 0.006 0.000 1.042 256 V CA -1.343 60.948 62.300 -0.015 0.000 0.872 256 V CB 2.173 33.975 31.823 -0.035 0.000 0.998 256 V HN 0.578 nan 8.190 nan 0.000 0.423 257 V N 5.906 125.822 119.914 0.004 0.000 2.370 257 V HA 0.197 4.316 4.120 -0.001 0.000 0.257 257 V C -0.351 175.760 176.094 0.028 0.000 1.064 257 V CA -0.106 62.204 62.300 0.016 0.000 0.975 257 V CB -0.012 31.810 31.823 -0.002 0.000 1.067 257 V HN 0.884 nan 8.190 nan 0.000 0.485 258 Y N 7.498 127.745 120.300 -0.088 0.000 2.454 258 Y HA 0.543 5.093 4.550 -0.001 0.000 0.345 258 Y C 0.603 176.438 175.900 -0.110 0.000 0.970 258 Y CA -1.240 56.794 58.100 -0.111 0.000 1.204 258 Y CB 0.470 38.851 38.460 -0.132 0.000 1.122 258 Y HN 0.695 nan 8.280 nan 0.000 0.514 259 R N 4.627 125.004 120.500 -0.205 0.000 2.439 259 R HA 0.894 5.234 4.340 -0.001 0.000 0.310 259 R C -0.450 175.613 176.300 -0.394 0.000 0.955 259 R CA -0.486 55.523 56.100 -0.153 0.000 0.853 259 R CB 1.627 31.873 30.300 -0.089 0.000 1.171 259 R HN 0.813 nan 8.270 nan 0.000 0.449 260 G N 1.391 109.999 108.800 -0.321 0.000 2.564 260 G HA2 0.140 4.100 3.960 -0.001 0.000 0.139 260 G HA3 0.140 4.100 3.960 -0.001 0.000 0.139 260 G C -1.625 173.087 174.900 -0.314 0.000 1.147 260 G CA -0.358 44.344 45.100 -0.663 0.000 1.031 260 G HN 0.395 nan 8.290 nan 0.000 0.482 261 V N 0.303 120.022 119.914 -0.326 0.000 2.630 261 V HA 0.701 4.821 4.120 -0.001 0.000 0.305 261 V C -0.218 175.915 176.094 0.064 0.000 1.046 261 V CA -0.607 61.610 62.300 -0.137 0.000 0.934 261 V CB 1.612 33.191 31.823 -0.407 0.000 1.003 261 V HN 0.650 nan 8.190 nan 0.000 0.451 262 V N 4.433 124.398 119.914 0.084 0.000 2.407 262 V HA 0.359 4.478 4.120 -0.001 0.000 0.291 262 V C -1.120 175.087 176.094 0.189 0.000 1.018 262 V CA -0.707 61.670 62.300 0.128 0.000 0.842 262 V CB 1.482 33.319 31.823 0.024 0.000 0.996 262 V HN 0.753 nan 8.190 nan 0.000 0.426 263 Y N 4.408 124.784 120.300 0.126 0.000 2.328 263 Y HA 0.722 5.272 4.550 -0.001 0.000 0.337 263 Y C 0.143 176.154 175.900 0.185 0.000 1.008 263 Y CA -0.803 57.374 58.100 0.129 0.000 1.129 263 Y CB 1.514 40.037 38.460 0.104 0.000 1.185 263 Y HN 0.662 nan 8.280 nan 0.000 0.476 264 A N 4.886 127.676 122.820 -0.049 0.000 2.363 264 A HA 0.591 4.911 4.320 -0.001 0.000 0.296 264 A C -0.104 177.323 177.584 -0.262 0.000 1.237 264 A CA -0.298 51.695 52.037 -0.074 0.000 0.773 264 A CB -0.011 18.996 19.000 0.011 0.000 1.153 264 A HN 1.064 nan 8.150 nan 0.000 0.473 265 G N 2.279 111.012 108.800 -0.112 0.000 2.360 265 G HA2 0.498 4.457 3.960 -0.001 0.000 0.279 265 G HA3 0.498 4.457 3.960 -0.001 0.000 0.279 265 G C -0.071 174.727 174.900 -0.170 0.000 1.189 265 G CA -0.066 44.988 45.100 -0.077 0.000 0.941 265 G HN 0.670 nan 8.290 nan 0.000 0.445 269 T N -3.288 111.252 114.554 -0.025 0.000 2.788 269 T HA 0.383 4.733 4.350 -0.001 0.000 0.280 269 T C 1.408 176.105 174.700 -0.004 0.000 0.984 269 T CA -0.573 61.515 62.100 -0.020 0.000 0.972 269 T CB 1.435 70.289 68.868 -0.024 0.000 1.039 269 T HN 0.335 nan 8.240 nan 0.000 0.530 270 R N 0.828 121.328 120.500 0.000 0.000 2.091 270 R HA -0.069 4.270 4.340 -0.001 0.000 0.238 270 R C 2.259 178.563 176.300 0.007 0.000 1.136 270 R CA 1.777 57.881 56.100 0.006 0.000 0.959 270 R CB -0.790 29.516 30.300 0.010 0.000 0.856 270 R HN 0.811 nan 8.270 nan 0.000 0.437 271 E N -0.016 120.188 120.200 0.006 0.000 2.268 271 E HA 0.032 4.382 4.350 -0.001 0.000 0.195 271 E C 0.806 177.410 176.600 0.006 0.000 0.995 271 E CA 0.706 57.110 56.400 0.007 0.000 0.836 271 E CB 0.127 29.832 29.700 0.009 0.000 0.763 271 E HN 0.442 nan 8.360 nan 0.000 0.491 272 G N 0.859 109.661 108.800 0.002 0.000 2.357 272 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.289 272 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.289 272 G C -3.073 171.823 174.900 -0.006 0.000 1.302 272 G CA -1.079 44.022 45.100 0.002 0.000 0.936 272 G HN -0.174 nan 8.290 nan 0.000 0.513 273 P HA 0.370 nan 4.420 nan 0.000 0.281 273 P C -1.047 176.236 177.300 -0.029 0.000 1.252 273 P CA 0.173 63.261 63.100 -0.020 0.000 0.778 273 P CB 1.147 32.838 31.700 -0.014 0.000 0.895 274 K N 2.049 122.420 120.400 -0.050 0.000 2.376 274 K HA 0.362 4.682 4.320 -0.001 0.000 0.257 274 K C -0.622 175.915 176.600 -0.105 0.000 0.939 274 K CA -1.083 55.170 56.287 -0.057 0.000 0.809 274 K CB 2.156 34.630 32.500 -0.044 0.000 1.121 274 K HN 0.172 nan 8.250 nan 0.000 0.425 275 V N 5.737 125.568 119.914 -0.138 0.000 2.421 275 V HA -0.023 4.097 4.120 -0.001 0.000 0.271 275 V C 1.395 177.352 176.094 -0.229 0.000 1.031 275 V CA 0.373 62.508 62.300 -0.275 0.000 1.032 275 V CB 0.097 31.651 31.823 -0.449 0.000 1.009 275 V HN 0.782 nan 8.190 nan 0.000 0.477 276 L N 4.162 125.257 121.223 -0.213 0.000 2.162 276 L HA 0.213 4.553 4.340 -0.001 0.000 0.205 276 L C 0.965 177.741 176.870 -0.157 0.000 1.086 276 L CA 0.819 55.569 54.840 -0.149 0.000 0.778 276 L CB 0.104 42.096 42.059 -0.111 0.000 0.928 276 L HN 0.876 nan 8.230 nan 0.000 0.446 277 E N -1.591 118.482 120.200 -0.212 0.000 2.388 277 E HA 0.313 4.662 4.350 -0.001 0.000 0.281 277 E C -1.679 174.805 176.600 -0.193 0.000 1.046 277 E CA -0.749 55.565 56.400 -0.143 0.000 0.825 277 E CB 1.274 30.961 29.700 -0.023 0.000 1.243 277 E HN -0.246 nan 8.360 nan 0.000 0.438 278 F N 1.146 121.162 119.950 0.109 0.000 2.482 278 F HA 0.537 5.064 4.527 -0.000 0.000 0.331 278 F C -0.187 175.688 175.800 0.124 0.000 1.115 278 F CA -0.475 57.604 58.000 0.132 0.000 0.955 278 F CB 2.062 41.119 39.000 0.095 0.000 1.136 278 F HN 0.482 nan 8.300 nan 0.000 0.452 279 N N 0.250 119.178 118.700 0.379 0.000 2.469 279 N HA 0.692 5.431 4.740 -0.001 0.000 0.286 279 N C -0.670 174.968 175.510 0.213 0.000 1.275 279 N CA -0.714 52.447 53.050 0.185 0.000 0.790 279 N CB 1.845 40.294 38.487 -0.064 0.000 1.446 279 N HN 0.518 nan 8.380 nan 0.000 0.501 280 A N 0.172 123.075 122.820 0.138 0.000 2.610 280 A HA 0.397 4.717 4.320 -0.001 0.000 0.286 280 A C -0.394 177.218 177.584 0.047 0.000 1.306 280 A CA 0.148 52.277 52.037 0.153 0.000 0.942 280 A CB -0.648 18.423 19.000 0.119 0.000 1.112 280 A HN 0.570 nan 8.150 nan 0.000 0.527 281 R N -2.828 117.709 120.500 0.062 0.000 2.712 281 R HA 0.589 4.929 4.340 -0.001 0.000 0.272 281 R C -1.081 175.295 176.300 0.128 0.000 1.032 281 R CA -1.395 54.724 56.100 0.032 0.000 0.874 281 R CB -0.617 29.718 30.300 0.059 0.000 1.256 281 R HN -0.120 nan 8.270 nan 0.000 0.468 282 F N 0.467 120.554 119.950 0.228 0.000 2.589 282 F HA 0.450 4.976 4.527 -0.001 0.000 0.352 282 F C 1.741 177.681 175.800 0.233 0.000 1.168 282 F CA 1.794 59.949 58.000 0.258 0.000 1.353 282 F CB 0.453 39.574 39.000 0.203 0.000 1.116 282 F HN 0.733 nan 8.300 nan 0.000 0.608 283 G N 0.602 109.730 108.800 0.547 0.000 2.488 283 G HA2 0.362 4.321 3.960 -0.001 0.000 0.318 283 G HA3 0.362 4.321 3.960 -0.001 0.000 0.318 283 G C -1.643 173.415 174.900 0.263 0.000 1.188 283 G CA -0.487 44.829 45.100 0.360 0.000 0.944 283 G HN 0.533 nan 8.290 nan 0.000 0.495 284 D N -0.020 120.484 120.400 0.174 0.000 2.391 284 D HA 0.380 5.019 4.640 -0.001 0.000 0.245 284 D C -2.131 174.258 176.300 0.147 0.000 1.069 284 D CA -1.796 52.288 54.000 0.140 0.000 0.831 284 D CB 2.865 43.728 40.800 0.105 0.000 1.204 284 D HN 0.097 nan 8.370 nan 0.000 0.503 285 P HA 0.257 nan 4.420 nan 0.000 0.250 285 P C 0.207 177.588 177.300 0.135 0.000 1.808 285 P CA -0.109 63.067 63.100 0.127 0.000 1.117 285 P CB 0.677 32.446 31.700 0.116 0.000 1.602 286 E N 0.920 121.223 120.200 0.172 0.000 2.118 286 E HA -0.162 4.187 4.350 -0.001 0.000 0.195 286 E C 2.207 178.885 176.600 0.130 0.000 0.992 286 E CA 1.916 58.414 56.400 0.162 0.000 0.804 286 E CB -0.679 29.143 29.700 0.204 0.000 0.741 286 E HN 0.296 nan 8.360 nan 0.000 0.458 287 A N 0.693 123.580 122.820 0.111 0.000 1.858 287 A HA -0.274 4.046 4.320 -0.001 0.000 0.216 287 A C 2.036 179.586 177.584 -0.057 0.000 1.190 287 A CA 1.660 53.679 52.037 -0.031 0.000 0.617 287 A CB -0.599 18.330 19.000 -0.117 0.000 0.827 287 A HN 0.153 nan 8.150 nan 0.000 0.443 288 Q N -0.357 119.418 119.800 -0.041 0.000 2.443 288 Q HA 0.031 4.371 4.340 -0.001 0.000 0.213 288 Q C 1.918 177.981 176.000 0.104 0.000 0.982 288 Q CA 1.455 57.248 55.803 -0.016 0.000 0.894 288 Q CB -0.450 28.349 28.738 0.103 0.000 0.947 288 Q HN 0.710 nan 8.270 nan 0.000 0.480 289 A N -0.721 122.152 122.820 0.088 0.000 1.942 289 A HA 0.113 4.433 4.320 -0.001 0.000 0.209 289 A C 1.788 179.443 177.584 0.118 0.000 1.214 289 A CA 0.263 52.359 52.037 0.099 0.000 0.686 289 A CB -0.122 18.936 19.000 0.096 0.000 0.871 289 A HN 0.276 nan 8.150 nan 0.000 0.460 290 L N -0.322 120.977 121.223 0.126 0.000 2.049 290 L HA -0.039 4.300 4.340 -0.001 0.000 0.203 290 L C 2.444 179.498 176.870 0.307 0.000 1.074 290 L CA 0.743 55.710 54.840 0.211 0.000 0.749 290 L CB -0.667 41.529 42.059 0.228 0.000 0.907 290 L HN 0.309 nan 8.230 nan 0.000 0.439 291 L N 0.374 121.701 121.223 0.172 0.000 2.034 291 L HA -0.219 4.121 4.340 -0.001 0.000 0.217 291 L C -0.228 176.835 176.870 0.322 0.000 1.077 291 L CA 1.740 56.681 54.840 0.168 0.000 0.769 291 L CB -1.879 40.219 42.059 0.065 0.000 0.890 291 L HN 0.297 nan 8.230 nan 0.000 0.435 292 P HA -0.143 nan 4.420 nan 0.000 0.226 292 P C 1.450 178.941 177.300 0.318 0.000 1.153 292 P CA 1.338 64.708 63.100 0.449 0.000 0.777 292 P CB 0.116 31.960 31.700 0.240 0.000 0.794 293 L N -1.346 120.068 121.223 0.318 0.000 2.607 293 L HA 0.181 4.521 4.340 -0.001 0.000 0.228 293 L C 0.886 178.035 176.870 0.465 0.000 1.123 293 L CA -0.454 54.601 54.840 0.358 0.000 0.890 293 L CB -0.001 42.268 42.059 0.349 0.000 1.103 293 L HN -0.025 nan 8.230 nan 0.000 0.468 294 L N -0.333 121.046 121.223 0.260 0.000 2.275 294 L HA 0.228 4.568 4.340 -0.001 0.000 0.288 294 L C 1.243 178.019 176.870 -0.156 0.000 1.046 294 L CA 0.404 55.155 54.840 -0.149 0.000 0.805 294 L CB 0.786 42.667 42.059 -0.296 0.000 1.193 294 L HN -0.029 nan 8.230 nan 0.000 0.426 295 E N 2.556 122.611 120.200 -0.241 0.000 2.016 295 E HA -0.049 4.300 4.350 -0.001 0.000 0.190 295 E C 0.160 176.650 176.600 -0.183 0.000 0.985 295 E CA 0.677 56.979 56.400 -0.163 0.000 0.802 295 E CB -0.207 29.404 29.700 -0.148 0.000 0.762 295 E HN 0.722 nan 8.360 nan 0.000 0.448 296 N N 2.492 121.051 118.700 -0.235 0.000 2.236 296 N HA -0.097 4.643 4.740 -0.001 0.000 0.238 296 N C -0.125 175.279 175.510 -0.177 0.000 1.244 296 N CA 0.433 53.367 53.050 -0.195 0.000 0.848 296 N CB 0.169 38.527 38.487 -0.215 0.000 1.094 296 N HN 0.031 nan 8.380 nan 0.000 0.448 297 D N 0.738 121.050 120.400 -0.147 0.000 2.348 297 D HA 0.011 4.651 4.640 -0.001 0.000 0.253 297 D C 0.846 177.056 176.300 -0.149 0.000 1.161 297 D CA -0.463 53.450 54.000 -0.145 0.000 0.876 297 D CB 0.577 41.307 40.800 -0.116 0.000 1.160 297 D HN 0.353 nan 8.370 nan 0.000 0.459 298 L N 5.095 126.218 121.223 -0.167 0.000 2.083 298 L HA -0.141 4.199 4.340 -0.001 0.000 0.209 298 L C 1.889 178.657 176.870 -0.170 0.000 1.083 298 L CA 1.509 56.243 54.840 -0.176 0.000 0.752 298 L CB -0.446 41.503 42.059 -0.183 0.000 0.899 298 L HN 0.480 nan 8.230 nan 0.000 0.433 299 V N -0.364 119.469 119.914 -0.136 0.000 2.261 299 V HA -0.253 3.867 4.120 -0.001 0.000 0.246 299 V C 2.677 178.719 176.094 -0.087 0.000 1.047 299 V CA 1.841 64.078 62.300 -0.104 0.000 1.015 299 V CB -0.731 31.045 31.823 -0.077 0.000 0.642 299 V HN 0.431 nan 8.190 nan 0.000 0.446 300 E N 0.118 120.269 120.200 -0.082 0.000 2.023 300 E HA -0.208 4.142 4.350 -0.001 0.000 0.196 300 E C 2.288 178.855 176.600 -0.056 0.000 1.003 300 E CA 1.440 57.803 56.400 -0.061 0.000 0.809 300 E CB -0.542 29.120 29.700 -0.064 0.000 0.755 300 E HN 0.484 nan 8.360 nan 0.000 0.449 301 L N 0.419 121.595 121.223 -0.079 0.000 1.978 301 L HA -0.296 4.043 4.340 -0.001 0.000 0.218 301 L C 2.577 179.420 176.870 -0.044 0.000 1.075 301 L CA 1.625 56.428 54.840 -0.061 0.000 0.767 301 L CB -0.622 41.383 42.059 -0.089 0.000 0.890 301 L HN 0.124 nan 8.230 nan 0.000 0.434 302 A N -0.088 122.639 122.820 -0.155 0.000 1.873 302 A HA -0.248 4.072 4.320 -0.001 0.000 0.218 302 A C 2.211 179.847 177.584 0.087 0.000 1.193 302 A CA 1.854 53.796 52.037 -0.158 0.000 0.629 302 A CB -0.936 17.843 19.000 -0.368 0.000 0.826 302 A HN 0.388 nan 8.150 nan 0.000 0.447 303 L N -1.073 120.165 121.223 0.025 0.000 1.997 303 L HA -0.303 4.037 4.340 -0.001 0.000 0.216 303 L C 2.956 179.861 176.870 0.059 0.000 1.074 303 L CA 1.729 56.595 54.840 0.044 0.000 0.763 303 L CB -0.526 41.540 42.059 0.011 0.000 0.890 303 L HN 0.329 nan 8.230 nan 0.000 0.434 304 R N -0.403 120.125 120.500 0.045 0.000 2.096 304 R HA -0.149 4.191 4.340 -0.001 0.000 0.240 304 R C 2.173 178.520 176.300 0.079 0.000 1.139 304 R CA 1.405 57.534 56.100 0.049 0.000 0.952 304 R CB -1.194 29.126 30.300 0.034 0.000 0.854 304 R HN 0.273 nan 8.270 nan 0.000 0.436 305 V N 1.093 121.091 119.914 0.139 0.000 2.261 305 V HA -0.193 3.927 4.120 -0.001 0.000 0.246 305 V C 2.402 178.559 176.094 0.105 0.000 1.047 305 V CA 1.920 64.321 62.300 0.168 0.000 1.015 305 V CB -0.860 31.186 31.823 0.373 0.000 0.642 305 V HN 0.359 nan 8.190 nan 0.000 0.446 306 A N -0.820 122.081 122.820 0.136 0.000 2.172 306 A HA -0.127 4.192 4.320 -0.001 0.000 0.216 306 A C 1.870 179.474 177.584 0.033 0.000 1.154 306 A CA 1.296 53.368 52.037 0.060 0.000 0.701 306 A CB -0.335 18.723 19.000 0.096 0.000 0.789 306 A HN 0.690 nan 8.150 nan 0.000 0.465 307 E N -1.680 118.544 120.200 0.041 0.000 2.526 307 E HA 0.297 4.646 4.350 -0.001 0.000 0.208 307 E C 0.896 177.507 176.600 0.019 0.000 0.997 307 E CA 0.144 56.559 56.400 0.025 0.000 0.961 307 E CB 0.268 29.983 29.700 0.025 0.000 1.030 307 E HN 0.618 nan 8.360 nan 0.000 0.483 308 G N 2.673 111.487 108.800 0.023 0.000 2.179 308 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.257 308 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.257 308 G C 0.404 175.317 174.900 0.022 0.000 1.010 308 G CA 0.225 45.337 45.100 0.020 0.000 0.736 308 G HN 0.215 nan 8.290 nan 0.000 0.513 309 R N -0.868 119.647 120.500 0.025 0.000 3.135 309 R HA 0.459 4.799 4.340 -0.001 0.000 0.343 309 R C 1.309 177.624 176.300 0.025 0.000 1.227 309 R CA -0.554 55.559 56.100 0.021 0.000 1.227 309 R CB 0.271 30.581 30.300 0.016 0.000 1.436 309 R HN 0.228 nan 8.270 nan 0.000 0.595 310 L N 0.362 121.603 121.223 0.031 0.000 2.463 310 L HA 0.284 4.624 4.340 -0.001 0.000 0.219 310 L C 1.960 178.847 176.870 0.029 0.000 1.088 310 L CA 1.106 55.967 54.840 0.036 0.000 0.849 310 L CB -0.061 42.029 42.059 0.052 0.000 1.012 310 L HN 0.339 nan 8.230 nan 0.000 0.468 311 A N 0.345 123.180 122.820 0.025 0.000 1.891 311 A HA -0.334 3.985 4.320 -0.001 0.000 0.221 311 A C 2.184 179.780 177.584 0.019 0.000 1.394 311 A CA 2.352 54.402 52.037 0.022 0.000 0.730 311 A CB -1.830 17.181 19.000 0.018 0.000 0.845 311 A HN 0.492 nan 8.150 nan 0.000 0.471 312 G N -1.433 107.375 108.800 0.014 0.000 2.653 312 G HA2 0.224 4.184 3.960 -0.001 0.000 0.212 312 G HA3 0.224 4.184 3.960 -0.001 0.000 0.212 312 G C 0.610 175.514 174.900 0.008 0.000 1.138 312 G CA 1.121 46.227 45.100 0.010 0.000 0.782 312 G HN 0.549 nan 8.290 nan 0.000 0.535 313 T N 0.100 114.660 114.554 0.010 0.000 2.904 313 T HA 0.595 4.944 4.350 -0.001 0.000 0.290 313 T C 0.056 174.760 174.700 0.008 0.000 1.018 313 T CA -0.117 61.985 62.100 0.003 0.000 1.075 313 T CB 1.524 70.394 68.868 0.004 0.000 0.986 313 T HN 0.159 nan 8.240 nan 0.000 0.523 314 R N 1.215 121.711 120.500 -0.006 0.000 2.510 314 R HA 0.352 4.692 4.340 -0.001 0.000 0.287 314 R C -1.013 175.267 176.300 -0.033 0.000 1.084 314 R CA -0.627 55.474 56.100 0.003 0.000 0.934 314 R CB 1.327 31.634 30.300 0.011 0.000 1.201 314 R HN 0.509 nan 8.270 nan 0.000 0.431 315 L N 2.486 123.695 121.223 -0.024 0.000 2.410 315 L HA 0.278 4.618 4.340 -0.001 0.000 0.273 315 L C -0.099 176.645 176.870 -0.210 0.000 1.144 315 L CA 0.176 54.925 54.840 -0.153 0.000 0.863 315 L CB 1.084 43.113 42.059 -0.051 0.000 1.140 315 L HN 0.550 nan 8.230 nan 0.000 0.463 316 S N 2.168 117.634 115.700 -0.391 0.000 2.454 316 S HA 0.572 5.042 4.470 -0.001 0.000 0.306 316 S C -1.147 173.184 174.600 -0.449 0.000 1.100 316 S CA -0.649 57.395 58.200 -0.258 0.000 1.087 316 S CB 1.019 64.134 63.200 -0.142 0.000 1.019 316 S HN 0.368 nan 8.310 nan 0.000 0.480 317 W N 2.091 123.408 121.300 0.028 0.000 2.736 317 W HA 0.488 5.147 4.660 -0.000 0.000 0.335 317 W C 0.266 176.803 176.519 0.030 0.000 1.059 317 W CA -1.022 56.343 57.345 0.034 0.000 1.226 317 W CB 0.726 30.211 29.460 0.041 0.000 1.416 317 W HN 0.296 nan 8.180 nan 0.000 0.505 318 K N 1.167 121.719 120.400 0.254 0.000 2.339 318 K HA -0.056 4.264 4.320 -0.001 0.000 0.260 318 K C -0.211 176.485 176.600 0.159 0.000 0.989 318 K CA 0.046 56.429 56.287 0.161 0.000 0.888 318 K CB 0.516 33.103 32.500 0.145 0.000 0.983 318 K HN 0.442 nan 8.250 nan 0.000 0.515 319 E N -0.101 120.162 120.200 0.106 0.000 2.042 319 E HA 0.369 4.718 4.350 -0.001 0.000 0.260 319 E C -0.277 176.364 176.600 0.069 0.000 0.975 319 E CA -0.075 56.375 56.400 0.084 0.000 0.799 319 E CB 0.196 29.933 29.700 0.062 0.000 1.131 319 E HN 0.683 nan 8.360 nan 0.000 0.423 320 G N 1.566 110.407 108.800 0.069 0.000 2.360 320 G HA2 0.559 4.518 3.960 -0.001 0.000 0.276 320 G HA3 0.559 4.518 3.960 -0.001 0.000 0.276 320 G C -1.379 173.550 174.900 0.048 0.000 1.256 320 G CA -0.189 44.943 45.100 0.053 0.000 0.890 320 G HN 0.582 nan 8.290 nan 0.000 0.486 321 A N -1.322 121.525 122.820 0.045 0.000 2.479 321 A HA 1.076 5.396 4.320 -0.001 0.000 0.296 321 A C -0.314 177.299 177.584 0.048 0.000 1.121 321 A CA 0.250 52.312 52.037 0.042 0.000 0.743 321 A CB 1.579 20.599 19.000 0.035 0.000 1.323 321 A HN 2.465 nan 8.150 nan 0.000 0.415 322 A N -0.110 122.741 122.820 0.052 0.000 2.398 322 A HA 0.848 5.168 4.320 -0.001 0.000 0.301 322 A C -0.457 177.158 177.584 0.051 0.000 1.041 322 A CA 0.112 52.179 52.037 0.049 0.000 0.711 322 A CB 1.299 20.341 19.000 0.070 0.000 1.240 322 A HN 2.426 nan 8.150 nan 0.000 0.420 323 A N 1.001 123.839 122.820 0.030 0.000 2.353 323 A HA 0.609 4.929 4.320 -0.001 0.000 0.299 323 A C -0.607 176.974 177.584 -0.005 0.000 1.089 323 A CA -0.352 51.706 52.037 0.035 0.000 0.736 323 A CB 0.649 19.674 19.000 0.041 0.000 1.195 323 A HN 1.828 nan 8.150 nan 0.000 0.447 324 C N 3.322 122.634 119.300 0.020 0.000 2.319 324 C HA 0.766 5.226 4.460 -0.001 0.000 0.335 324 C C -0.401 174.574 174.990 -0.026 0.000 1.274 324 C CA -0.130 58.890 59.018 0.003 0.000 1.806 324 C CB -0.051 27.727 27.740 0.063 0.000 2.329 324 C HN 0.700 nan 8.230 nan 0.000 0.524 325 V N 7.363 127.230 119.914 -0.078 0.000 2.378 325 V HA 0.364 4.483 4.120 -0.001 0.000 0.288 325 V C -0.010 176.065 176.094 -0.031 0.000 1.016 325 V CA -0.462 61.784 62.300 -0.089 0.000 0.840 325 V CB 1.470 33.138 31.823 -0.258 0.000 0.994 325 V HN 0.759 nan 8.190 nan 0.000 0.431 326 V N 6.558 126.493 119.914 0.035 0.000 2.498 326 V HA 0.338 4.458 4.120 -0.001 0.000 0.279 326 V C 0.093 176.234 176.094 0.079 0.000 1.048 326 V CA -0.296 62.036 62.300 0.054 0.000 0.967 326 V CB 1.413 33.276 31.823 0.066 0.000 0.988 326 V HN 0.618 nan 8.190 nan 0.000 0.473 327 L N 5.369 126.639 121.223 0.078 0.000 2.283 327 L HA 0.652 4.992 4.340 -0.001 0.000 0.281 327 L C 0.438 177.423 176.870 0.191 0.000 1.033 327 L CA -0.230 54.688 54.840 0.131 0.000 0.848 327 L CB 1.038 43.195 42.059 0.163 0.000 1.226 327 L HN 0.729 nan 8.230 nan 0.000 0.429 328 A N 2.706 125.580 122.820 0.089 0.000 2.279 328 A HA 0.831 5.150 4.320 -0.001 0.000 0.303 328 A C 0.223 177.846 177.584 0.064 0.000 1.108 328 A CA -0.347 51.703 52.037 0.021 0.000 0.830 328 A CB 1.078 20.038 19.000 -0.067 0.000 1.106 328 A HN 0.727 nan 8.150 nan 0.000 0.493 329 A N 2.061 124.980 122.820 0.165 0.000 2.354 329 A HA 0.652 4.971 4.320 -0.001 0.000 0.269 329 A C -2.349 175.308 177.584 0.121 0.000 1.109 329 A CA -1.665 50.502 52.037 0.217 0.000 0.800 329 A CB -0.261 18.907 19.000 0.280 0.000 1.045 329 A HN 0.637 nan 8.150 nan 0.000 0.489 330 P HA 0.187 nan 4.420 nan 0.000 0.264 330 P C 0.849 178.204 177.300 0.092 0.000 1.193 330 P CA 1.558 64.689 63.100 0.052 0.000 0.763 330 P CB 0.891 32.599 31.700 0.014 0.000 0.810 331 G N 2.464 111.321 108.800 0.095 0.000 2.352 331 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.204 331 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.204 331 G C -0.226 174.745 174.900 0.118 0.000 1.004 331 G CA -0.337 44.816 45.100 0.088 0.000 0.648 331 G HN 0.566 nan 8.290 nan 0.000 0.491 332 Y N 4.486 124.807 120.300 0.034 0.000 2.497 332 Y HA 0.449 4.998 4.550 -0.000 0.000 0.334 332 Y C -0.218 175.700 175.900 0.030 0.000 1.199 332 Y CA -0.673 57.450 58.100 0.039 0.000 1.425 332 Y CB 1.192 39.685 38.460 0.055 0.000 1.291 332 Y HN 0.085 nan 8.280 nan 0.000 0.562 333 P HA -0.104 nan 4.420 nan 0.000 0.216 333 P C 0.980 178.165 177.300 -0.192 0.000 1.156 333 P CA 1.183 63.834 63.100 -0.747 0.000 0.855 333 P CB 0.386 31.635 31.700 -0.752 0.000 0.786 334 E N 0.866 120.987 120.200 -0.131 0.000 2.108 334 E HA -0.123 4.226 4.350 -0.001 0.000 0.203 334 E C 0.137 176.737 176.600 -0.000 0.000 1.022 334 E CA 1.420 57.790 56.400 -0.050 0.000 0.823 334 E CB -0.436 29.239 29.700 -0.041 0.000 0.744 334 E HN 0.095 nan 8.360 nan 0.000 0.456 335 S N 0.334 116.050 115.700 0.025 0.000 2.592 335 S HA 0.214 4.684 4.470 -0.001 0.000 0.151 335 S C -2.720 171.928 174.600 0.079 0.000 1.280 335 S CA -1.018 57.212 58.200 0.049 0.000 1.187 335 S CB 1.586 64.804 63.200 0.031 0.000 1.471 335 S HN 0.109 nan 8.310 nan 0.000 0.409 336 P HA 0.177 nan 4.420 nan 0.000 0.269 336 P C -0.342 177.021 177.300 0.105 0.000 1.209 336 P CA -0.508 62.682 63.100 0.150 0.000 0.776 336 P CB 0.585 32.407 31.700 0.204 0.000 0.876 337 R N 2.566 123.129 120.500 0.105 0.000 2.242 337 R HA 0.143 4.483 4.340 -0.001 0.000 0.334 337 R C 0.271 176.624 176.300 0.089 0.000 1.071 337 R CA -0.249 55.903 56.100 0.087 0.000 0.922 337 R CB -0.235 30.117 30.300 0.087 0.000 1.023 337 R HN 0.403 nan 8.270 nan 0.000 0.458 338 K N 2.469 122.907 120.400 0.064 0.000 2.172 338 K HA 0.586 4.905 4.320 -0.001 0.000 0.276 338 K C 0.441 177.064 176.600 0.038 0.000 1.013 338 K CA -0.169 56.146 56.287 0.048 0.000 0.913 338 K CB 1.371 33.891 32.500 0.034 0.000 1.055 338 K HN 0.546 nan 8.250 nan 0.000 0.461 339 G N 2.475 111.290 108.800 0.026 0.000 2.192 339 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.193 339 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.193 339 G C -0.065 174.849 174.900 0.023 0.000 0.999 339 G CA -0.338 44.773 45.100 0.018 0.000 0.659 339 G HN 0.538 nan 8.290 nan 0.000 0.503 340 I N 2.885 123.481 120.570 0.043 0.000 2.671 340 I HA 0.164 4.334 4.170 -0.001 0.000 0.285 340 I C -1.615 174.501 176.117 -0.000 0.000 1.148 340 I CA -2.132 59.212 61.300 0.073 0.000 1.386 340 I CB -0.392 37.738 38.000 0.217 0.000 1.406 340 I HN 0.031 nan 8.210 nan 0.000 0.540 341 P HA 0.180 nan 4.420 nan 0.000 0.264 341 P C -0.353 176.935 177.300 -0.019 0.000 1.229 341 P CA 0.082 63.178 63.100 -0.005 0.000 0.780 341 P CB 0.680 32.393 31.700 0.022 0.000 0.808 342 L N 3.579 124.742 121.223 -0.099 0.000 2.431 342 L HA 0.524 4.864 4.340 -0.001 0.000 0.260 342 L C 0.873 177.735 176.870 -0.012 0.000 1.098 342 L CA -0.625 54.132 54.840 -0.139 0.000 0.800 342 L CB 0.631 42.488 42.059 -0.337 0.000 1.210 342 L HN 0.506 nan 8.230 nan 0.000 0.465 343 H N 0.856 119.868 119.070 -0.096 0.000 3.289 343 H HA 0.244 4.799 4.556 -0.001 0.000 0.330 343 H C -1.991 173.307 175.328 -0.050 0.000 1.187 343 H CA -0.347 55.669 56.048 -0.052 0.000 1.601 343 H CB 1.624 31.370 29.762 -0.027 0.000 1.997 343 H HN 0.298 nan 8.280 nan 0.000 0.489 344 V N 8.187 128.057 119.914 -0.073 0.000 2.328 344 V HA 0.482 4.601 4.120 -0.001 0.000 0.278 344 V C -2.321 173.817 176.094 0.074 0.000 1.021 344 V CA -1.489 60.838 62.300 0.044 0.000 0.838 344 V CB 1.352 33.169 31.823 -0.010 0.000 0.999 344 V HN 0.581 nan 8.190 nan 0.000 0.447 345 P HA 0.221 nan 4.420 nan 0.000 0.281 345 P C -0.359 177.067 177.300 0.209 0.000 1.252 345 P CA -0.238 62.995 63.100 0.221 0.000 0.778 345 P CB 0.835 32.677 31.700 0.237 0.000 0.895 346 E N 4.919 125.182 120.200 0.105 0.000 3.197 346 E HA -0.068 4.282 4.350 -0.001 0.000 0.251 346 E C -1.993 174.621 176.600 0.022 0.000 0.912 346 E CA -0.711 55.712 56.400 0.039 0.000 0.960 346 E CB -0.946 28.769 29.700 0.025 0.000 0.897 346 E HN 0.397 nan 8.360 nan 0.000 0.550 347 P HA 0.276 nan 4.420 nan 0.000 0.277 347 P C -2.222 174.950 177.300 -0.213 0.000 1.240 347 P CA -1.412 61.465 63.100 -0.372 0.000 0.798 347 P CB 0.207 31.465 31.700 -0.735 0.000 0.979 348 P HA 0.108 nan 4.420 nan 0.000 0.274 348 P C 1.039 178.269 177.300 -0.116 0.000 1.237 348 P CA -0.146 62.898 63.100 -0.094 0.000 0.793 348 P CB 0.989 32.664 31.700 -0.042 0.000 0.977 349 E N 1.746 121.905 120.200 -0.069 0.000 2.119 349 E HA -0.218 4.131 4.350 -0.001 0.000 0.221 349 E C 1.840 178.397 176.600 -0.072 0.000 1.062 349 E CA 2.452 58.817 56.400 -0.057 0.000 0.894 349 E CB -1.265 28.419 29.700 -0.027 0.000 0.785 349 E HN 0.799 nan 8.360 nan 0.000 0.472 350 G N 0.510 109.270 108.800 -0.065 0.000 3.061 350 G HA2 0.163 4.123 3.960 -0.001 0.000 0.208 350 G HA3 0.163 4.123 3.960 -0.001 0.000 0.208 350 G C 0.238 175.068 174.900 -0.116 0.000 1.175 350 G CA -0.002 45.058 45.100 -0.066 0.000 0.812 350 G HN 0.016 nan 8.290 nan 0.000 0.523 351 V N 0.677 120.479 119.914 -0.187 0.000 2.656 351 V HA 0.519 4.639 4.120 -0.001 0.000 0.307 351 V C -0.246 175.609 176.094 -0.398 0.000 1.051 351 V CA -0.793 61.333 62.300 -0.290 0.000 0.893 351 V CB 2.079 33.677 31.823 -0.376 0.000 0.999 351 V HN 0.073 nan 8.190 nan 0.000 0.426 352 L N 4.074 125.014 121.223 -0.472 0.000 2.330 352 L HA 0.782 5.121 4.340 -0.001 0.000 0.271 352 L C -0.976 175.461 176.870 -0.720 0.000 1.013 352 L CA -0.965 53.468 54.840 -0.679 0.000 0.816 352 L CB 2.296 43.809 42.059 -0.911 0.000 1.287 352 L HN 0.343 nan 8.230 nan 0.000 0.435 353 V N 1.901 121.344 119.914 -0.785 0.000 2.488 353 V HA 0.430 4.550 4.120 -0.001 0.000 0.293 353 V C -0.938 174.891 176.094 -0.443 0.000 1.027 353 V CA -0.431 61.575 62.300 -0.489 0.000 0.862 353 V CB 1.443 33.138 31.823 -0.214 0.000 1.008 353 V HN 0.350 nan 8.190 nan 0.000 0.428 354 F N 2.228 122.178 119.950 -0.000 0.000 2.492 354 F HA 0.573 5.100 4.527 -0.001 0.000 0.327 354 F C 0.698 176.741 175.800 0.406 0.000 1.079 354 F CA -0.815 57.303 58.000 0.198 0.000 0.967 354 F CB 1.288 40.267 39.000 -0.034 0.000 1.169 354 F HN 0.435 nan 8.300 nan 0.000 0.472 355 H N 0.971 120.347 119.070 0.509 0.000 2.489 355 H HA 0.482 5.037 4.556 -0.001 0.000 0.322 355 H C 0.117 175.504 175.328 0.099 0.000 1.091 355 H CA -0.319 55.808 56.048 0.132 0.000 1.291 355 H CB 1.784 31.516 29.762 -0.049 0.000 1.436 355 H HN 0.813 nan 8.280 nan 0.000 0.480 356 A N 3.065 125.970 122.820 0.142 0.000 2.063 356 A HA 0.270 4.589 4.320 -0.001 0.000 0.211 356 A C 1.204 178.810 177.584 0.037 0.000 1.177 356 A CA 0.675 52.760 52.037 0.080 0.000 0.759 356 A CB 0.556 19.579 19.000 0.039 0.000 0.857 356 A HN 0.743 nan 8.150 nan 0.000 0.468 357 G N 0.077 108.883 108.800 0.010 0.000 2.107 357 G HA2 0.488 4.448 3.960 -0.001 0.000 0.297 357 G HA3 0.488 4.448 3.960 -0.001 0.000 0.297 357 G C -0.714 174.160 174.900 -0.044 0.000 1.543 357 G CA 0.330 45.423 45.100 -0.011 0.000 1.115 357 G HN 0.753 nan 8.290 nan 0.000 0.550 358 T N -1.344 113.204 114.554 -0.010 0.000 2.923 358 T HA 0.816 5.166 4.350 -0.001 0.000 0.311 358 T C -0.723 173.975 174.700 -0.003 0.000 1.183 358 T CA -0.982 61.102 62.100 -0.027 0.000 1.020 358 T CB 2.986 71.864 68.868 0.016 0.000 1.165 358 T HN 0.553 nan 8.240 nan 0.000 0.482 359 R N -0.039 120.448 120.500 -0.021 0.000 2.803 359 R HA 0.643 4.983 4.340 -0.001 0.000 0.276 359 R C 0.031 176.321 176.300 -0.015 0.000 0.978 359 R CA -1.030 55.060 56.100 -0.016 0.000 0.939 359 R CB 1.594 31.883 30.300 -0.018 0.000 1.179 359 R HN 0.729 nan 8.270 nan 0.000 0.472 360 R N 1.650 122.142 120.500 -0.014 0.000 3.179 360 R HA 0.117 4.456 4.340 -0.001 0.000 0.317 360 R C -0.715 175.577 176.300 -0.014 0.000 1.331 360 R CA -0.078 56.013 56.100 -0.015 0.000 1.184 360 R CB 0.084 30.374 30.300 -0.017 0.000 1.408 360 R HN 0.626 nan 8.270 nan 0.000 0.598 361 E N 0.598 120.790 120.200 -0.014 0.000 2.562 361 E HA -0.004 4.346 4.350 -0.001 0.000 0.241 361 E C 0.564 177.159 176.600 -0.008 0.000 1.136 361 E CA 0.906 57.300 56.400 -0.010 0.000 0.952 361 E CB 0.051 29.745 29.700 -0.009 0.000 0.975 361 E HN 0.658 nan 8.360 nan 0.000 0.494 362 G N 3.552 112.348 108.800 -0.006 0.000 2.527 362 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.262 362 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.262 362 G C 0.667 175.563 174.900 -0.007 0.000 1.153 362 G CA -0.090 45.007 45.100 -0.005 0.000 0.954 362 G HN 0.798 nan 8.290 nan 0.000 0.552 363 G N -0.125 108.671 108.800 -0.007 0.000 3.192 363 G HA2 0.480 4.440 3.960 -0.001 0.000 0.239 363 G HA3 0.480 4.440 3.960 -0.001 0.000 0.239 363 G C 0.714 175.605 174.900 -0.015 0.000 1.084 363 G CA 0.708 45.802 45.100 -0.010 0.000 0.784 363 G HN 0.629 nan 8.290 nan 0.000 0.540 364 R N -0.422 120.069 120.500 -0.014 0.000 2.532 364 R HA 0.616 4.956 4.340 -0.001 0.000 0.272 364 R C -0.848 175.435 176.300 -0.029 0.000 1.032 364 R CA -0.726 55.362 56.100 -0.020 0.000 1.089 364 R CB 1.290 31.585 30.300 -0.008 0.000 1.098 364 R HN 0.085 nan 8.270 nan 0.000 0.526 365 L N 2.796 123.991 121.223 -0.046 0.000 2.257 365 L HA 0.472 4.811 4.340 -0.001 0.000 0.290 365 L C -0.836 175.988 176.870 -0.077 0.000 1.044 365 L CA -0.449 54.358 54.840 -0.055 0.000 0.810 365 L CB 1.165 43.182 42.059 -0.071 0.000 1.193 365 L HN 0.514 nan 8.230 nan 0.000 0.425 366 V N 2.412 122.283 119.914 -0.072 0.000 2.815 366 V HA 0.814 4.934 4.120 -0.001 0.000 0.314 366 V C 0.226 176.252 176.094 -0.114 0.000 1.064 366 V CA -0.188 62.062 62.300 -0.083 0.000 0.952 366 V CB 1.560 33.358 31.823 -0.041 0.000 1.020 366 V HN 0.955 nan 8.190 nan 0.000 0.439 367 S N 2.465 118.081 115.700 -0.141 0.000 2.580 367 S HA 0.638 5.107 4.470 -0.001 0.000 0.266 367 S C 0.375 174.937 174.600 -0.063 0.000 1.354 367 S CA 0.095 58.207 58.200 -0.147 0.000 1.008 367 S CB 1.102 64.238 63.200 -0.107 0.000 0.898 367 S HN 2.622 nan 8.310 nan 0.000 0.555 368 A N 0.763 123.555 122.820 -0.046 0.000 3.426 368 A HA 0.693 5.012 4.320 -0.001 0.000 0.222 368 A C 0.320 177.902 177.584 -0.003 0.000 1.090 368 A CA -0.114 51.913 52.037 -0.016 0.000 1.026 368 A CB -0.353 18.636 19.000 -0.018 0.000 1.342 368 A HN 2.267 nan 8.150 nan 0.000 0.695 369 G N -1.056 107.751 108.800 0.013 0.000 2.351 369 G HA2 0.490 4.449 3.960 -0.001 0.000 0.353 369 G HA3 0.490 4.449 3.960 -0.001 0.000 0.353 369 G C 0.710 175.622 174.900 0.020 0.000 1.358 369 G CA 0.144 45.258 45.100 0.023 0.000 0.995 369 G HN 1.321 nan 8.290 nan 0.000 0.611 370 G N -0.363 108.454 108.800 0.028 0.000 2.587 370 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.217 370 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.217 370 G C 0.807 175.434 174.900 -0.456 0.000 1.240 370 G CA 1.009 46.074 45.100 -0.058 0.000 0.794 370 G HN 0.710 nan 8.290 nan 0.000 0.580 371 R N 0.083 120.279 120.500 -0.505 0.000 2.221 371 R HA 0.395 4.735 4.340 -0.001 0.000 0.327 371 R C 0.589 176.816 176.300 -0.121 0.000 1.033 371 R CA -0.490 55.385 56.100 -0.375 0.000 0.887 371 R CB 1.914 32.031 30.300 -0.305 0.000 1.057 371 R HN 0.160 nan 8.270 nan 0.000 0.455 372 V N 3.761 123.657 119.914 -0.030 0.000 2.627 372 V HA 0.144 4.264 4.120 -0.001 0.000 0.239 372 V C 0.720 176.765 176.094 -0.083 0.000 1.077 372 V CA 0.696 62.961 62.300 -0.058 0.000 1.103 372 V CB 0.017 31.762 31.823 -0.129 0.000 0.802 372 V HN 0.520 nan 8.190 nan 0.000 0.482 373 L N 0.303 121.517 121.223 -0.016 0.000 2.354 373 L HA 0.512 4.852 4.340 -0.001 0.000 0.264 373 L C -1.008 175.883 176.870 0.035 0.000 1.008 373 L CA -0.310 54.511 54.840 -0.032 0.000 0.819 373 L CB 2.248 44.249 42.059 -0.097 0.000 1.339 373 L HN 0.183 nan 8.230 nan 0.000 0.420 374 N N 0.698 119.435 118.700 0.061 0.000 2.442 374 N HA 0.473 5.213 4.740 -0.001 0.000 0.274 374 N C -1.367 174.134 175.510 -0.015 0.000 1.002 374 N CA -0.485 52.606 53.050 0.068 0.000 0.910 374 N CB 2.557 41.160 38.487 0.193 0.000 1.244 374 N HN 0.110 nan 8.380 nan 0.000 0.492 375 V N 2.875 122.755 119.914 -0.056 0.000 2.398 375 V HA 0.402 4.522 4.120 -0.001 0.000 0.286 375 V C -0.223 175.782 176.094 -0.148 0.000 1.026 375 V CA -0.591 61.645 62.300 -0.107 0.000 0.868 375 V CB 1.627 33.426 31.823 -0.040 0.000 0.982 375 V HN 0.319 nan 8.190 nan 0.000 0.443 376 V N 4.270 124.049 119.914 -0.226 0.000 2.380 376 V HA 0.602 4.722 4.120 -0.001 0.000 0.286 376 V C 0.655 176.637 176.094 -0.186 0.000 1.015 376 V CA -0.499 61.694 62.300 -0.178 0.000 0.834 376 V CB 1.506 33.226 31.823 -0.172 0.000 1.009 376 V HN 0.924 nan 8.190 nan 0.000 0.428 377 G N 4.615 113.340 108.800 -0.125 0.000 2.444 377 G HA2 0.675 4.635 3.960 -0.001 0.000 0.268 377 G HA3 0.675 4.635 3.960 -0.001 0.000 0.268 377 G C -0.808 174.059 174.900 -0.055 0.000 1.203 377 G CA -0.351 44.692 45.100 -0.095 0.000 0.835 377 G HN 0.575 nan 8.290 nan 0.000 0.543 378 L N 0.836 122.031 121.223 -0.047 0.000 2.354 378 L HA 0.929 5.269 4.340 -0.001 0.000 0.264 378 L C 0.546 177.417 176.870 0.002 0.000 1.008 378 L CA -0.691 54.141 54.840 -0.013 0.000 0.819 378 L CB 2.459 44.509 42.059 -0.015 0.000 1.339 378 L HN 0.870 nan 8.230 nan 0.000 0.420 379 G N 0.210 109.021 108.800 0.019 0.000 2.342 379 G HA2 0.227 4.186 3.960 -0.001 0.000 0.297 379 G HA3 0.227 4.186 3.960 -0.001 0.000 0.297 379 G C -0.281 174.635 174.900 0.028 0.000 1.313 379 G CA -0.742 44.371 45.100 0.021 0.000 0.830 379 G HN 0.475 nan 8.290 nan 0.000 0.506 380 R N -0.295 120.220 120.500 0.025 0.000 2.096 380 R HA -0.042 4.298 4.340 -0.001 0.000 0.240 380 R C 0.745 177.060 176.300 0.025 0.000 1.139 380 R CA 2.551 58.666 56.100 0.025 0.000 0.952 380 R CB -0.230 30.083 30.300 0.021 0.000 0.854 380 R HN 0.755 nan 8.270 nan 0.000 0.436 381 D N -2.697 117.718 120.400 0.024 0.000 2.837 381 D HA 0.121 4.760 4.640 -0.001 0.000 0.294 381 D C 0.416 176.733 176.300 0.030 0.000 1.158 381 D CA -0.760 53.253 54.000 0.022 0.000 1.073 381 D CB 0.022 40.832 40.800 0.017 0.000 1.419 381 D HN -0.266 nan 8.370 nan 0.000 0.584 382 L N -0.213 121.029 121.223 0.031 0.000 2.093 382 L HA 0.063 4.403 4.340 -0.001 0.000 0.208 382 L C 2.338 179.241 176.870 0.054 0.000 1.085 382 L CA 1.549 56.418 54.840 0.047 0.000 0.755 382 L CB -0.719 41.372 42.059 0.053 0.000 0.904 382 L HN 0.543 nan 8.230 nan 0.000 0.435 383 K N -0.052 120.374 120.400 0.044 0.000 2.001 383 K HA -0.295 4.024 4.320 -0.001 0.000 0.214 383 K C 2.151 178.782 176.600 0.051 0.000 1.050 383 K CA 2.138 58.453 56.287 0.047 0.000 0.934 383 K CB -0.197 32.323 32.500 0.033 0.000 0.718 383 K HN 0.335 nan 8.250 nan 0.000 0.443 384 E N -0.321 119.903 120.200 0.040 0.000 2.058 384 E HA -0.240 4.109 4.350 -0.001 0.000 0.194 384 E C 1.831 178.455 176.600 0.040 0.000 0.997 384 E CA 1.273 57.695 56.400 0.037 0.000 0.801 384 E CB -0.202 29.515 29.700 0.028 0.000 0.746 384 E HN 0.467 nan 8.360 nan 0.000 0.450 385 A N 1.009 123.852 122.820 0.038 0.000 1.865 385 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 385 A C 2.241 179.849 177.584 0.041 0.000 1.191 385 A CA 1.573 53.628 52.037 0.030 0.000 0.623 385 A CB -0.869 18.151 19.000 0.032 0.000 0.826 385 A HN 0.315 nan 8.150 nan 0.000 0.444 386 L N -0.737 120.534 121.223 0.080 0.000 2.012 386 L HA -0.247 4.093 4.340 -0.001 0.000 0.210 386 L C 2.660 179.649 176.870 0.199 0.000 1.073 386 L CA 1.876 56.806 54.840 0.151 0.000 0.748 386 L CB -0.771 41.409 42.059 0.202 0.000 0.891 386 L HN 0.487 nan 8.230 nan 0.000 0.431 387 E N -0.008 120.280 120.200 0.147 0.000 2.049 387 E HA -0.261 4.088 4.350 -0.001 0.000 0.198 387 E C 2.353 179.021 176.600 0.114 0.000 1.007 387 E CA 1.334 57.816 56.400 0.137 0.000 0.809 387 E CB -0.162 29.588 29.700 0.083 0.000 0.749 387 E HN 0.395 nan 8.360 nan 0.000 0.450 388 R N 0.180 120.718 120.500 0.064 0.000 2.127 388 R HA -0.132 4.208 4.340 -0.001 0.000 0.238 388 R C 2.305 178.621 176.300 0.026 0.000 1.134 388 R CA 1.062 57.183 56.100 0.035 0.000 0.975 388 R CB -0.253 30.046 30.300 -0.002 0.000 0.865 388 R HN 0.138 nan 8.270 nan 0.000 0.447 389 A N 0.147 122.957 122.820 -0.015 0.000 1.872 389 A HA -0.133 4.187 4.320 -0.001 0.000 0.214 389 A C 1.670 179.169 177.584 -0.143 0.000 1.187 389 A CA 0.950 52.919 52.037 -0.114 0.000 0.614 389 A CB -0.580 18.273 19.000 -0.245 0.000 0.826 389 A HN 0.268 nan 8.150 nan 0.000 0.442 390 Y N 0.032 120.356 120.300 0.040 0.000 2.509 390 Y HA 0.053 4.602 4.550 -0.001 0.000 0.293 390 Y C 2.694 178.612 175.900 0.031 0.000 1.133 390 Y CA 0.403 58.525 58.100 0.036 0.000 1.283 390 Y CB -0.344 38.148 38.460 0.053 0.000 1.001 390 Y HN 0.343 nan 8.280 nan 0.000 0.555 391 A N -1.309 121.605 122.820 0.156 0.000 1.968 391 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 391 A C 1.892 179.535 177.584 0.099 0.000 1.169 391 A CA 1.350 53.457 52.037 0.115 0.000 0.638 391 A CB -0.824 18.236 19.000 0.100 0.000 0.812 391 A HN 0.560 nan 8.150 nan 0.000 0.446 392 Y N 0.172 120.450 120.300 -0.037 0.000 2.436 392 Y HA 0.045 4.594 4.550 -0.001 0.000 0.288 392 Y C 1.860 177.708 175.900 -0.086 0.000 1.112 392 Y CA 0.277 58.340 58.100 -0.063 0.000 1.220 392 Y CB 0.073 38.478 38.460 -0.092 0.000 1.073 392 Y HN 0.170 nan 8.280 nan 0.000 0.552 393 I N 2.532 122.955 120.570 -0.244 0.000 2.145 393 I HA -0.270 3.899 4.170 -0.001 0.000 0.244 393 I C -0.321 175.583 176.117 -0.355 0.000 1.075 393 I CA 1.769 62.842 61.300 -0.378 0.000 1.332 393 I CB -2.737 35.006 38.000 -0.428 0.000 1.033 393 I HN 0.238 nan 8.210 nan 0.000 0.410 394 P HA -0.166 nan 4.420 nan 0.000 0.225 394 P C 1.227 178.425 177.300 -0.170 0.000 1.148 394 P CA 1.318 64.346 63.100 -0.121 0.000 0.779 394 P CB -0.139 31.541 31.700 -0.033 0.000 0.780 395 Q N -0.380 119.244 119.800 -0.293 0.000 2.403 395 Q HA 0.119 4.459 4.340 -0.001 0.000 0.203 395 Q C 0.398 176.230 176.000 -0.281 0.000 0.932 395 Q CA -0.040 55.602 55.803 -0.267 0.000 0.945 395 Q CB 0.231 28.806 28.738 -0.272 0.000 1.045 395 Q HN 0.147 nan 8.270 nan 0.000 0.511 396 V N 0.358 120.083 119.914 -0.315 0.000 2.607 396 V HA 0.356 4.476 4.120 -0.001 0.000 0.289 396 V C 0.775 176.848 176.094 -0.036 0.000 1.053 396 V CA -0.589 61.608 62.300 -0.171 0.000 0.996 396 V CB 1.481 33.197 31.823 -0.179 0.000 0.995 396 V HN 0.201 nan 8.190 nan 0.000 0.476 397 G N 3.466 112.294 108.800 0.046 0.000 3.286 397 G HA2 0.424 4.384 3.960 -0.001 0.000 0.303 397 G HA3 0.424 4.384 3.960 -0.001 0.000 0.303 397 G C -0.546 174.448 174.900 0.157 0.000 0.974 397 G CA -0.139 45.001 45.100 0.067 0.000 1.635 397 G HN 0.679 nan 8.290 nan 0.000 0.535 398 F N 4.504 124.438 119.950 -0.027 0.000 2.550 398 F HA 0.333 4.860 4.527 -0.000 0.000 0.348 398 F C -1.958 173.844 175.800 0.004 0.000 1.219 398 F CA -2.718 55.272 58.000 -0.017 0.000 1.203 398 F CB 2.247 41.222 39.000 -0.040 0.000 1.436 398 F HN 0.228 nan 8.300 nan 0.000 0.541 399 P HA 0.107 nan 4.420 nan 0.000 0.261 399 P C 0.665 177.981 177.300 0.027 0.000 1.203 399 P CA 1.397 64.563 63.100 0.110 0.000 0.767 399 P CB 0.966 32.728 31.700 0.104 0.000 0.785 400 G N 2.962 111.712 108.800 -0.082 0.000 2.234 400 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.235 400 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.235 400 G C 0.442 175.150 174.900 -0.319 0.000 0.997 400 G CA 0.033 45.051 45.100 -0.136 0.000 0.623 400 G HN 0.862 nan 8.290 nan 0.000 0.514 401 A N 0.362 122.763 122.820 -0.698 0.000 2.589 401 A HA 0.388 4.708 4.320 -0.001 0.000 0.259 401 A C 0.775 178.197 177.584 -0.271 0.000 1.000 401 A CA 1.207 52.642 52.037 -1.003 0.000 0.847 401 A CB 0.031 18.448 19.000 -0.973 0.000 0.885 401 A HN 1.361 nan 8.150 nan 0.000 0.508 402 V N 4.932 124.733 119.914 -0.187 0.000 2.439 402 V HA 0.603 4.723 4.120 -0.001 0.000 0.282 402 V C -0.288 175.890 176.094 0.140 0.000 1.039 402 V CA -0.000 62.286 62.300 -0.023 0.000 0.913 402 V CB 0.324 32.154 31.823 0.012 0.000 0.983 402 V HN 0.962 nan 8.190 nan 0.000 0.460 403 Y N 2.280 122.567 120.300 -0.022 0.000 2.521 403 Y HA 0.678 5.228 4.550 -0.000 0.000 0.328 403 Y C -0.660 175.276 175.900 0.060 0.000 1.151 403 Y CA -1.498 56.616 58.100 0.023 0.000 1.054 403 Y CB 1.128 39.595 38.460 0.012 0.000 1.338 403 Y HN 0.466 nan 8.280 nan 0.000 0.453 404 R N 2.491 123.093 120.500 0.169 0.000 2.438 404 R HA 0.354 4.694 4.340 -0.001 0.000 0.287 404 R C 0.406 176.846 176.300 0.233 0.000 1.077 404 R CA -0.497 55.662 56.100 0.098 0.000 1.034 404 R CB 0.965 31.322 30.300 0.095 0.000 0.993 404 R HN 0.859 nan 8.270 nan 0.000 0.459 405 R N 0.914 121.456 120.500 0.069 0.000 2.312 405 R HA -0.034 4.305 4.340 -0.001 0.000 0.205 405 R C 0.481 176.702 176.300 -0.133 0.000 0.904 405 R CA 0.589 56.682 56.100 -0.012 0.000 1.052 405 R CB 0.373 30.572 30.300 -0.168 0.000 1.014 405 R HN 0.672 nan 8.270 nan 0.000 0.503 406 D N 0.144 120.535 120.400 -0.014 0.000 2.395 406 D HA -0.033 4.607 4.640 -0.001 0.000 0.226 406 D C -0.011 176.308 176.300 0.030 0.000 1.146 406 D CA -0.103 53.891 54.000 -0.010 0.000 0.830 406 D CB 0.170 40.976 40.800 0.010 0.000 0.958 406 D HN -0.021 nan 8.370 nan 0.000 0.501 407 I N 1.587 122.186 120.570 0.050 0.000 2.662 407 I HA 0.127 4.297 4.170 -0.001 0.000 0.285 407 I C 1.860 177.980 176.117 0.005 0.000 1.161 407 I CA 1.253 62.448 61.300 -0.175 0.000 1.415 407 I CB 0.129 38.054 38.000 -0.125 0.000 1.385 407 I HN 0.438 nan 8.210 nan 0.000 0.552 408 G N 5.877 114.737 108.800 0.100 0.000 2.195 408 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.246 408 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.246 408 G C 1.449 176.463 174.900 0.189 0.000 0.984 408 G CA 0.564 45.803 45.100 0.231 0.000 0.633 408 G HN 0.616 nan 8.290 nan 0.000 0.525 409 R N 0.522 121.116 120.500 0.156 0.000 2.097 409 R HA -0.121 4.219 4.340 -0.001 0.000 0.236 409 R C 2.530 178.903 176.300 0.120 0.000 1.135 409 R CA 2.441 58.605 56.100 0.106 0.000 0.934 409 R CB -0.348 29.999 30.300 0.079 0.000 0.846 409 R HN 0.360 nan 8.270 nan 0.000 0.431 410 R N 0.456 121.052 120.500 0.161 0.000 2.094 410 R HA -0.102 4.238 4.340 -0.001 0.000 0.239 410 R C 2.011 178.403 176.300 0.153 0.000 1.137 410 R CA 2.278 58.465 56.100 0.145 0.000 0.943 410 R CB -1.003 29.386 30.300 0.149 0.000 0.850 410 R HN 0.410 nan 8.270 nan 0.000 0.433 411 A N -0.073 122.871 122.820 0.208 0.000 2.015 411 A HA -0.053 4.266 4.320 -0.001 0.000 0.219 411 A C 2.013 179.628 177.584 0.051 0.000 1.163 411 A CA 1.124 53.259 52.037 0.163 0.000 0.646 411 A CB -0.489 18.669 19.000 0.264 0.000 0.806 411 A HN 0.321 nan 8.150 nan 0.000 0.448 412 L N -0.583 120.684 121.223 0.073 0.000 2.131 412 L HA -0.042 4.298 4.340 -0.001 0.000 0.210 412 L C 2.431 179.312 176.870 0.018 0.000 1.092 412 L CA 1.731 56.596 54.840 0.041 0.000 0.759 412 L CB -0.673 41.417 42.059 0.053 0.000 0.903 412 L HN 0.367 nan 8.230 nan 0.000 0.435 413 A N -1.002 121.834 122.820 0.027 0.000 2.359 413 A HA 0.267 4.587 4.320 -0.001 0.000 0.240 413 A C 0.253 177.834 177.584 -0.004 0.000 1.306 413 A CA -0.323 51.723 52.037 0.014 0.000 0.898 413 A CB -0.485 18.531 19.000 0.027 0.000 0.956 413 A HN 0.344 nan 8.150 nan 0.000 0.497 414 R N 0.000 120.481 120.500 -0.031 0.000 2.786 414 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 414 R CA 0.000 56.047 56.100 -0.088 0.000 0.921 414 R CB 0.000 30.261 30.300 -0.066 0.000 0.687 414 R HN 0.000 nan 8.270 nan 0.000 0.535