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 3p0w_1_C DATA FIRST_RESID 6 DATA SEQUENCE HTPRVTEMQV IPVAGRDSML LNLCGAHAPF FTRNLVILKD NAGRTGVGEV DATA SEQUENCE PGGEGIRQAL ERVIPLVVGQ SIGRTNGVLS SIRRALAXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXRM DNVITAVEAA LLDLLGQFLE VPVAELLGAG DATA SEQUENCE QQRDSAPMLA YLFYVGDRRK TDLPYLEGAX XXDDWLRLRH EAAMTPAAIA DATA SEQUENCE RLAEAATERY GFADFKLKGG VMPGAEEMEA IAAIKARFPH ARVTLDPNGA DATA SEQUENCE WSLNEAIALC KGQGHLVAYA EDPCGPEAGY SGREVMAEFK RATGIPTATN DATA SEQUENCE MIATDWRQMG HAVQLHAVDI PLADPHFWTM QGSVRVAQLC DEWGLTWGSH DATA SEQUENCE SNNHFDVSLA MFTHVAAAAP GNITAIDTHW IWQEAQERLT REPLRIQGGH DATA SEQUENCE VAVPERPGLG IEIDMDRVMA AHALYKTLGP GARDDAMAMQ YLVPGWTYDP DATA SEQUENCE KRPSL 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 6 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 175.282 175.328 -0.077 0.000 0.993 6 H CA 0.000 56.045 56.048 -0.005 0.000 1.023 6 H CB 0.000 29.787 29.762 0.042 0.000 1.292 7 T N 4.942 119.510 114.554 0.023 0.000 2.902 7 T HA 0.245 4.595 4.350 -0.000 0.000 0.301 7 T C -2.447 172.043 174.700 -0.350 0.000 1.012 7 T CA -0.914 60.992 62.100 -0.323 0.000 1.151 7 T CB 0.888 69.621 68.868 -0.225 0.000 0.946 7 T HN -0.055 nan 8.240 nan 0.000 0.542 8 P HA 0.265 nan 4.420 nan 0.000 0.270 8 P C -0.400 176.772 177.300 -0.213 0.000 1.223 8 P CA -0.206 62.705 63.100 -0.316 0.000 0.785 8 P CB 0.412 31.905 31.700 -0.346 0.000 0.923 9 R N 0.451 120.870 120.500 -0.135 0.000 2.807 9 R HA 0.528 4.868 4.340 -0.000 0.000 0.276 9 R C -1.014 175.240 176.300 -0.077 0.000 0.979 9 R CA -1.259 54.782 56.100 -0.098 0.000 0.928 9 R CB 1.274 31.528 30.300 -0.078 0.000 1.191 9 R HN 0.151 nan 8.270 nan 0.000 0.471 10 V N 1.858 121.733 119.914 -0.064 0.000 2.572 10 V HA 0.008 4.128 4.120 -0.000 0.000 0.291 10 V C 1.407 177.475 176.094 -0.044 0.000 1.039 10 V CA 0.524 62.793 62.300 -0.052 0.000 1.055 10 V CB 1.065 32.860 31.823 -0.046 0.000 0.969 10 V HN 1.068 nan 8.190 nan 0.000 0.482 11 T N 0.813 115.342 114.554 -0.041 0.000 2.969 11 T HA 0.309 4.659 4.350 -0.000 0.000 0.250 11 T C 0.325 175.005 174.700 -0.033 0.000 1.021 11 T CA -0.107 61.971 62.100 -0.035 0.000 1.003 11 T CB 0.322 69.170 68.868 -0.033 0.000 1.040 11 T HN 0.688 nan 8.240 nan 0.000 0.492 12 E N 0.314 120.493 120.200 -0.034 0.000 2.429 12 E HA 0.655 5.005 4.350 -0.000 0.000 0.276 12 E C -1.578 175.000 176.600 -0.037 0.000 0.953 12 E CA -0.958 55.422 56.400 -0.034 0.000 0.787 12 E CB 2.649 32.328 29.700 -0.034 0.000 1.307 12 E HN 0.220 nan 8.360 nan 0.000 0.458 13 M N 1.873 121.450 119.600 -0.038 0.000 2.234 13 M HA 0.248 4.728 4.480 -0.000 0.000 0.267 13 M C -2.049 174.224 176.300 -0.045 0.000 1.022 13 M CA -0.185 55.091 55.300 -0.041 0.000 0.993 13 M CB 1.707 34.285 32.600 -0.037 0.000 1.836 13 M HN 0.513 nan 8.290 nan 0.000 0.479 14 Q N 2.557 122.325 119.800 -0.054 0.000 2.257 14 Q HA 0.777 5.116 4.340 -0.000 0.000 0.262 14 Q C -1.233 174.725 176.000 -0.071 0.000 0.997 14 Q CA -1.120 54.643 55.803 -0.066 0.000 0.873 14 Q CB 3.147 31.836 28.738 -0.081 0.000 1.312 14 Q HN 0.590 nan 8.270 nan 0.000 0.450 15 V N 3.042 122.910 119.914 -0.077 0.000 2.443 15 V HA 0.449 4.569 4.120 -0.000 0.000 0.293 15 V C -0.811 175.221 176.094 -0.103 0.000 1.021 15 V CA -0.486 61.767 62.300 -0.078 0.000 0.848 15 V CB 1.195 32.984 31.823 -0.057 0.000 0.998 15 V HN 0.616 nan 8.190 nan 0.000 0.424 16 I N 6.439 126.935 120.570 -0.124 0.000 2.411 16 I HA 0.422 4.592 4.170 -0.000 0.000 0.284 16 I C -2.738 173.296 176.117 -0.138 0.000 1.012 16 I CA -2.118 59.089 61.300 -0.155 0.000 1.119 16 I CB 2.445 40.322 38.000 -0.206 0.000 1.261 16 I HN 0.361 nan 8.210 nan 0.000 0.448 17 P HA 0.191 nan 4.420 nan 0.000 0.276 17 P C -0.694 176.392 177.300 -0.357 0.000 1.235 17 P CA -0.200 62.596 63.100 -0.505 0.000 0.772 17 P CB 1.137 32.074 31.700 -1.273 0.000 0.871 18 V N 0.000 119.739 119.914 -0.291 0.000 2.925 18 V HA 0.964 5.084 4.120 -0.000 0.000 0.311 18 V C -0.910 175.170 176.094 -0.023 0.000 1.104 18 V CA -1.417 60.803 62.300 -0.133 0.000 0.954 18 V CB 1.869 33.528 31.823 -0.273 0.000 1.022 18 V HN 0.591 nan 8.190 nan 0.000 0.427 19 A N 1.805 124.660 122.820 0.058 0.000 2.401 19 A HA 1.067 5.387 4.320 -0.000 0.000 0.310 19 A C 0.055 177.680 177.584 0.069 0.000 1.075 19 A CA -0.118 51.946 52.037 0.044 0.000 0.746 19 A CB 1.705 20.748 19.000 0.072 0.000 1.277 19 A HN 2.070 nan 8.150 nan 0.000 0.425 20 G N 0.128 108.752 108.800 -0.293 0.000 2.798 20 G HA2 0.646 4.605 3.960 -0.000 0.000 0.286 20 G HA3 0.646 4.605 3.960 -0.000 0.000 0.286 20 G C -1.034 173.902 174.900 0.060 0.000 1.389 20 G CA -0.863 44.136 45.100 -0.169 0.000 0.894 20 G HN 0.756 nan 8.290 nan 0.000 0.488 21 R N -0.156 120.500 120.500 0.258 0.000 2.604 21 R HA 0.575 4.914 4.340 -0.000 0.000 0.287 21 R C -1.480 174.963 176.300 0.240 0.000 0.970 21 R CA -0.677 55.494 56.100 0.117 0.000 0.946 21 R CB 2.020 32.312 30.300 -0.014 0.000 1.127 21 R HN 0.501 nan 8.270 nan 0.000 0.473 22 D N -0.166 120.298 120.400 0.108 0.000 2.581 22 D HA 0.328 4.968 4.640 -0.000 0.000 0.232 22 D C -0.781 175.584 176.300 0.108 0.000 1.143 22 D CA -0.372 53.681 54.000 0.089 0.000 0.881 22 D CB 2.041 42.893 40.800 0.087 0.000 1.500 22 D HN 0.346 nan 8.370 nan 0.000 0.458 23 S N 0.697 116.397 115.700 0.001 0.000 2.681 23 S HA 0.264 4.734 4.470 -0.000 0.000 0.270 23 S C 0.792 175.286 174.600 -0.176 0.000 1.209 23 S CA -0.734 57.444 58.200 -0.036 0.000 0.988 23 S CB 0.759 63.866 63.200 -0.155 0.000 1.006 23 S HN 0.568 nan 8.310 nan 0.000 0.558 24 M N 2.195 121.551 119.600 -0.408 0.000 3.759 24 M HA 0.176 4.656 4.480 -0.000 0.000 0.190 24 M C -1.174 174.897 176.300 -0.382 0.000 1.478 24 M CA -0.092 54.931 55.300 -0.463 0.000 1.691 24 M CB -1.057 31.056 32.600 -0.811 0.000 1.113 24 M HN 0.448 nan 8.290 nan 0.000 0.542 25 L N 2.130 123.023 121.223 -0.549 0.000 2.462 25 L HA 0.077 4.417 4.340 -0.000 0.000 0.272 25 L C -0.338 176.316 176.870 -0.359 0.000 1.166 25 L CA -0.481 53.905 54.840 -0.755 0.000 0.880 25 L CB -0.120 40.894 42.059 -1.742 0.000 1.142 25 L HN 0.260 nan 8.230 nan 0.000 0.473 26 L N 4.210 125.371 121.223 -0.103 0.000 2.334 26 L HA 0.425 4.765 4.340 -0.000 0.000 0.277 26 L C 0.103 177.052 176.870 0.133 0.000 1.075 26 L CA 0.141 54.987 54.840 0.011 0.000 0.804 26 L CB 1.114 43.186 42.059 0.022 0.000 1.174 26 L HN 0.859 nan 8.230 nan 0.000 0.438 27 N N 0.628 119.392 118.700 0.107 0.000 3.364 27 N HA 0.290 5.030 4.740 -0.000 0.000 0.294 27 N C 0.298 175.895 175.510 0.145 0.000 1.562 27 N CA -0.871 52.270 53.050 0.150 0.000 0.862 27 N CB 0.434 39.057 38.487 0.227 0.000 1.691 27 N HN 0.328 nan 8.380 nan 0.000 0.572 28 L N -0.297 121.036 121.223 0.183 0.000 2.042 28 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 28 L C 1.057 178.213 176.870 0.476 0.000 1.076 28 L CA 1.543 56.544 54.840 0.269 0.000 0.749 28 L CB -0.352 41.843 42.059 0.225 0.000 0.893 28 L HN 0.768 nan 8.230 nan 0.000 0.432 29 C N -0.237 119.295 119.300 0.387 0.000 2.522 29 C HA 0.303 4.763 4.460 -0.000 0.000 0.271 29 C C 1.489 176.669 174.990 0.318 0.000 1.425 29 C CA 0.281 59.563 59.018 0.440 0.000 1.751 29 C CB -1.223 26.607 27.740 0.150 0.000 1.775 29 C HN 0.872 nan 8.230 nan 0.000 0.557 30 G N -0.120 108.660 108.800 -0.032 0.000 2.055 30 G HA2 0.382 4.342 3.960 -0.000 0.000 0.160 30 G HA3 0.382 4.342 3.960 -0.000 0.000 0.160 30 G C -0.973 173.769 174.900 -0.264 0.000 1.087 30 G CA 0.246 45.006 45.100 -0.567 0.000 1.269 30 G HN 1.093 nan 8.290 nan 0.000 0.461 31 A N -0.347 122.386 122.820 -0.145 0.000 2.459 31 A HA 0.740 5.060 4.320 -0.000 0.000 0.296 31 A C -0.490 177.152 177.584 0.097 0.000 1.039 31 A CA -0.339 51.680 52.037 -0.030 0.000 0.698 31 A CB 0.579 19.526 19.000 -0.088 0.000 1.261 31 A HN 0.884 nan 8.150 nan 0.000 0.405 32 H N 1.245 120.271 119.070 -0.074 0.000 3.001 32 H HA 0.241 4.797 4.556 -0.000 0.000 0.334 32 H C 1.076 176.455 175.328 0.085 0.000 1.034 32 H CA 0.707 56.729 56.048 -0.044 0.000 1.420 32 H CB 1.007 30.668 29.762 -0.169 0.000 1.405 32 H HN 0.867 nan 8.280 nan 0.000 0.593 33 A N 5.200 128.097 122.820 0.128 0.000 2.332 33 A HA 0.136 4.456 4.320 -0.000 0.000 0.258 33 A C -1.433 176.146 177.584 -0.008 0.000 1.087 33 A CA -1.342 50.746 52.037 0.084 0.000 0.802 33 A CB 0.078 19.116 19.000 0.063 0.000 1.042 33 A HN 0.535 nan 8.150 nan 0.000 0.489 34 P HA 0.059 nan 4.420 nan 0.000 0.239 34 P C -0.574 176.341 177.300 -0.642 0.000 1.184 34 P CA 1.060 63.731 63.100 -0.714 0.000 0.760 34 P CB -0.083 30.907 31.700 -1.184 0.000 0.884 35 F N -0.283 119.659 119.950 -0.013 0.000 2.578 35 F HA 0.504 5.031 4.527 -0.000 0.000 0.311 35 F C -0.034 175.849 175.800 0.138 0.000 1.094 35 F CA -1.291 56.737 58.000 0.045 0.000 0.923 35 F CB 1.427 40.407 39.000 -0.033 0.000 1.230 35 F HN -0.270 nan 8.300 nan 0.000 0.450 36 F N -0.419 119.648 119.950 0.195 0.000 2.603 36 F HA 0.927 5.454 4.527 -0.000 0.000 0.317 36 F C -0.706 175.202 175.800 0.180 0.000 1.066 36 F CA -1.092 56.973 58.000 0.108 0.000 0.941 36 F CB 1.620 40.621 39.000 0.002 0.000 1.291 36 F HN 0.466 nan 8.300 nan 0.000 0.472 37 T N 0.248 114.883 114.554 0.135 0.000 2.907 37 T HA 0.830 5.180 4.350 -0.000 0.000 0.292 37 T C -0.898 173.910 174.700 0.179 0.000 1.043 37 T CA -0.998 61.154 62.100 0.087 0.000 1.003 37 T CB 2.185 71.150 68.868 0.162 0.000 1.084 37 T HN 0.843 nan 8.240 nan 0.000 0.483 38 R N 1.470 122.063 120.500 0.154 0.000 2.774 38 R HA 0.476 4.816 4.340 -0.000 0.000 0.272 38 R C -1.263 175.043 176.300 0.009 0.000 1.000 38 R CA -0.825 55.376 56.100 0.169 0.000 0.906 38 R CB 1.806 32.341 30.300 0.392 0.000 1.227 38 R HN 0.800 nan 8.270 nan 0.000 0.468 39 N N 0.952 119.647 118.700 -0.008 0.000 2.408 39 N HA 0.429 5.168 4.740 -0.000 0.000 0.280 39 N C -0.822 174.661 175.510 -0.044 0.000 1.002 39 N CA -0.674 52.335 53.050 -0.067 0.000 0.907 39 N CB 1.151 39.597 38.487 -0.068 0.000 1.161 39 N HN 0.239 nan 8.380 nan 0.000 0.488 40 L N -0.035 121.143 121.223 -0.075 0.000 2.334 40 L HA 0.813 5.153 4.340 -0.000 0.000 0.273 40 L C -0.647 176.182 176.870 -0.069 0.000 1.013 40 L CA -1.048 53.753 54.840 -0.064 0.000 0.816 40 L CB 0.937 42.947 42.059 -0.082 0.000 1.278 40 L HN 0.135 nan 8.230 nan 0.000 0.431 41 V N 3.332 123.213 119.914 -0.056 0.000 2.495 41 V HA 0.551 4.671 4.120 -0.000 0.000 0.298 41 V C -0.102 175.959 176.094 -0.055 0.000 1.031 41 V CA -0.275 61.991 62.300 -0.055 0.000 0.871 41 V CB 1.716 33.511 31.823 -0.046 0.000 0.988 41 V HN 0.691 nan 8.190 nan 0.000 0.432 42 I N 5.879 126.414 120.570 -0.058 0.000 2.418 42 I HA 0.473 4.643 4.170 -0.000 0.000 0.287 42 I C -0.707 175.381 176.117 -0.047 0.000 1.008 42 I CA -0.359 60.909 61.300 -0.053 0.000 1.104 42 I CB 1.643 39.608 38.000 -0.059 0.000 1.264 42 I HN 0.314 nan 8.210 nan 0.000 0.438 43 L N 6.489 127.687 121.223 -0.041 0.000 2.334 43 L HA 0.605 4.945 4.340 -0.000 0.000 0.273 43 L C -0.320 176.529 176.870 -0.035 0.000 1.013 43 L CA -0.996 53.821 54.840 -0.039 0.000 0.816 43 L CB 1.538 43.574 42.059 -0.038 0.000 1.278 43 L HN 0.438 nan 8.230 nan 0.000 0.431 44 K N 1.683 122.062 120.400 -0.035 0.000 2.259 44 K HA 0.500 4.820 4.320 -0.000 0.000 0.249 44 K C -1.226 175.353 176.600 -0.035 0.000 0.942 44 K CA -0.770 55.498 56.287 -0.031 0.000 0.816 44 K CB 2.564 35.046 32.500 -0.029 0.000 1.155 44 K HN 0.621 nan 8.250 nan 0.000 0.428 45 D N -0.383 119.996 120.400 -0.034 0.000 2.497 45 D HA 0.140 4.779 4.640 -0.000 0.000 0.243 45 D C 0.633 176.907 176.300 -0.043 0.000 1.039 45 D CA -0.630 53.342 54.000 -0.046 0.000 1.052 45 D CB 0.425 41.189 40.800 -0.059 0.000 1.344 45 D HN 0.245 nan 8.370 nan 0.000 0.553 46 N N -0.205 118.461 118.700 -0.057 0.000 2.144 46 N HA -0.213 4.527 4.740 -0.000 0.000 0.195 46 N C 1.176 176.665 175.510 -0.035 0.000 1.006 46 N CA 1.965 54.983 53.050 -0.052 0.000 0.880 46 N CB -0.355 38.086 38.487 -0.076 0.000 1.018 46 N HN 0.599 nan 8.380 nan 0.000 0.443 47 A N -1.459 121.342 122.820 -0.031 0.000 2.423 47 A HA 0.498 4.818 4.320 -0.000 0.000 0.246 47 A C 1.276 178.864 177.584 0.007 0.000 1.278 47 A CA 0.572 52.609 52.037 -0.000 0.000 0.903 47 A CB -0.334 18.680 19.000 0.025 0.000 0.997 47 A HN 0.359 nan 8.150 nan 0.000 0.510 48 G N -0.162 108.635 108.800 -0.005 0.000 2.143 48 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.248 48 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.248 48 G C 0.299 175.200 174.900 0.001 0.000 0.991 48 G CA 0.407 45.506 45.100 -0.003 0.000 0.689 48 G HN 0.653 nan 8.290 nan 0.000 0.522 49 R N -0.301 120.201 120.500 0.003 0.000 2.549 49 R HA 0.645 4.985 4.340 -0.000 0.000 0.267 49 R C -0.410 175.886 176.300 -0.006 0.000 1.045 49 R CA -0.136 55.967 56.100 0.006 0.000 1.115 49 R CB 0.918 31.230 30.300 0.020 0.000 1.121 49 R HN 0.140 nan 8.270 nan 0.000 0.543 50 T N 0.320 114.870 114.554 -0.007 0.000 2.824 50 T HA 0.461 4.811 4.350 -0.000 0.000 0.282 50 T C -0.295 174.394 174.700 -0.017 0.000 0.993 50 T CA -0.748 61.343 62.100 -0.015 0.000 0.967 50 T CB 1.910 70.769 68.868 -0.016 0.000 0.960 50 T HN 0.731 nan 8.240 nan 0.000 0.441 51 G N 1.220 110.005 108.800 -0.025 0.000 2.448 51 G HA2 0.720 4.680 3.960 -0.000 0.000 0.324 51 G HA3 0.720 4.680 3.960 -0.000 0.000 0.324 51 G C -0.672 174.207 174.900 -0.035 0.000 1.203 51 G CA -0.788 44.294 45.100 -0.030 0.000 0.954 51 G HN 0.873 nan 8.290 nan 0.000 0.480 52 V N -0.655 119.236 119.914 -0.037 0.000 2.962 52 V HA 1.040 5.160 4.120 -0.000 0.000 0.313 52 V C 0.059 176.129 176.094 -0.040 0.000 1.099 52 V CA -0.414 61.863 62.300 -0.038 0.000 0.971 52 V CB 1.678 33.481 31.823 -0.032 0.000 1.028 52 V HN 1.369 nan 8.190 nan 0.000 0.430 53 G N 1.460 110.237 108.800 -0.037 0.000 2.659 53 G HA2 0.683 4.643 3.960 -0.000 0.000 0.296 53 G HA3 0.683 4.643 3.960 -0.000 0.000 0.296 53 G C -1.741 173.150 174.900 -0.014 0.000 1.369 53 G CA -0.521 44.559 45.100 -0.033 0.000 0.937 53 G HN 1.100 nan 8.290 nan 0.000 0.485 54 E N -0.278 119.930 120.200 0.015 0.000 2.292 54 E HA 0.641 4.991 4.350 -0.000 0.000 0.272 54 E C -0.899 175.762 176.600 0.103 0.000 0.881 54 E CA -0.781 55.655 56.400 0.060 0.000 0.754 54 E CB 2.563 32.332 29.700 0.114 0.000 1.201 54 E HN 0.716 nan 8.360 nan 0.000 0.425 55 V N 0.014 119.964 119.914 0.061 0.000 3.182 55 V HA 0.666 4.786 4.120 -0.000 0.000 0.308 55 V C -2.837 173.236 176.094 -0.035 0.000 1.240 55 V CA -2.578 59.735 62.300 0.022 0.000 1.063 55 V CB 1.253 33.071 31.823 -0.009 0.000 1.076 55 V HN 0.556 nan 8.190 nan 0.000 0.446 56 P HA 0.243 nan 4.420 nan 0.000 0.266 56 P C 0.371 177.682 177.300 0.019 0.000 1.193 56 P CA 1.058 64.146 63.100 -0.019 0.000 0.770 56 P CB 0.250 31.940 31.700 -0.016 0.000 0.836 57 G N 0.992 109.833 108.800 0.069 0.000 2.653 57 G HA2 0.527 4.486 3.960 -0.000 0.000 0.265 57 G HA3 0.527 4.486 3.960 -0.000 0.000 0.265 57 G C -0.037 174.892 174.900 0.049 0.000 1.237 57 G CA 0.043 45.174 45.100 0.051 0.000 0.946 57 G HN 0.813 nan 8.290 nan 0.000 0.522 58 G N -1.423 107.406 108.800 0.049 0.000 2.348 58 G HA2 0.174 4.134 3.960 -0.000 0.000 0.606 58 G HA3 0.174 4.134 3.960 -0.000 0.000 0.606 58 G C 0.062 174.992 174.900 0.049 0.000 1.466 58 G CA 0.465 45.601 45.100 0.061 0.000 0.950 58 G HN 0.723 nan 8.290 nan 0.000 0.657 59 E N 0.433 120.672 120.200 0.065 0.000 2.112 59 E HA 0.089 4.439 4.350 -0.000 0.000 0.190 59 E C 2.563 179.183 176.600 0.033 0.000 0.979 59 E CA 2.476 58.911 56.400 0.059 0.000 0.814 59 E CB -0.556 29.183 29.700 0.066 0.000 0.762 59 E HN 0.904 nan 8.360 nan 0.000 0.460 60 G N 0.972 109.790 108.800 0.030 0.000 2.513 60 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.219 60 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.219 60 G C 1.648 176.555 174.900 0.011 0.000 1.160 60 G CA 1.271 46.383 45.100 0.021 0.000 0.767 60 G HN 0.337 nan 8.290 nan 0.000 0.571 61 I N -0.219 120.355 120.570 0.006 0.000 2.353 61 I HA -0.044 4.126 4.170 -0.000 0.000 0.248 61 I C 2.813 178.920 176.117 -0.016 0.000 1.119 61 I CA 0.731 62.025 61.300 -0.011 0.000 1.417 61 I CB -0.221 37.765 38.000 -0.023 0.000 1.078 61 I HN 0.084 nan 8.210 nan 0.000 0.421 62 R N 0.958 121.450 120.500 -0.013 0.000 2.070 62 R HA -0.207 4.133 4.340 -0.000 0.000 0.233 62 R C 2.288 178.582 176.300 -0.009 0.000 1.137 62 R CA 1.788 57.875 56.100 -0.020 0.000 0.945 62 R CB -0.190 30.099 30.300 -0.018 0.000 0.845 62 R HN 0.439 nan 8.270 nan 0.000 0.430 63 Q N -0.336 119.466 119.800 0.003 0.000 2.030 63 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 63 Q C 2.165 178.164 176.000 -0.002 0.000 0.986 63 Q CA 1.766 57.571 55.803 0.004 0.000 0.843 63 Q CB -0.217 28.527 28.738 0.010 0.000 0.904 63 Q HN 0.429 nan 8.270 nan 0.000 0.420 64 A N 1.011 123.829 122.820 -0.004 0.000 1.940 64 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 64 A C 2.108 179.684 177.584 -0.013 0.000 1.176 64 A CA 1.046 53.078 52.037 -0.007 0.000 0.631 64 A CB -0.673 18.323 19.000 -0.007 0.000 0.814 64 A HN 0.274 nan 8.150 nan 0.000 0.446 65 L N -0.678 120.534 121.223 -0.017 0.000 1.994 65 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 65 L C 2.756 179.613 176.870 -0.022 0.000 1.071 65 L CA 1.494 56.319 54.840 -0.023 0.000 0.745 65 L CB -0.583 41.457 42.059 -0.031 0.000 0.892 65 L HN 0.398 nan 8.230 nan 0.000 0.431 66 E N -0.025 120.163 120.200 -0.018 0.000 2.085 66 E HA -0.283 4.067 4.350 -0.000 0.000 0.194 66 E C 2.223 178.815 176.600 -0.014 0.000 0.994 66 E CA 1.276 57.666 56.400 -0.016 0.000 0.801 66 E CB -0.233 29.461 29.700 -0.010 0.000 0.743 66 E HN 0.351 nan 8.360 nan 0.000 0.453 67 R N 0.825 121.319 120.500 -0.010 0.000 2.148 67 R HA -0.095 4.245 4.340 -0.000 0.000 0.227 67 R C 2.123 178.417 176.300 -0.011 0.000 1.103 67 R CA 1.072 57.167 56.100 -0.008 0.000 0.983 67 R CB 0.110 30.407 30.300 -0.005 0.000 0.874 67 R HN 0.156 nan 8.270 nan 0.000 0.451 68 V N -2.550 117.356 119.914 -0.013 0.000 3.542 68 V HA 0.163 4.283 4.120 -0.000 0.000 0.296 68 V C 1.546 177.630 176.094 -0.018 0.000 1.364 68 V CA 0.137 62.428 62.300 -0.014 0.000 1.118 68 V CB -0.212 31.602 31.823 -0.014 0.000 0.972 68 V HN 0.163 nan 8.190 nan 0.000 0.430 69 I N 1.267 121.826 120.570 -0.019 0.000 2.151 69 I HA -0.128 4.042 4.170 -0.000 0.000 0.243 69 I C -0.035 176.069 176.117 -0.021 0.000 1.080 69 I CA 2.060 63.347 61.300 -0.022 0.000 1.339 69 I CB -1.261 36.726 38.000 -0.022 0.000 1.039 69 I HN 0.389 nan 8.210 nan 0.000 0.409 70 P HA -0.155 nan 4.420 nan 0.000 0.221 70 P C 1.818 179.107 177.300 -0.018 0.000 1.145 70 P CA 1.300 64.389 63.100 -0.017 0.000 0.795 70 P CB -0.000 31.691 31.700 -0.015 0.000 0.775 71 L N -1.641 119.572 121.223 -0.017 0.000 2.478 71 L HA -0.028 4.312 4.340 -0.000 0.000 0.223 71 L C 1.645 178.503 176.870 -0.020 0.000 1.140 71 L CA 0.669 55.499 54.840 -0.017 0.000 0.842 71 L CB 0.105 42.155 42.059 -0.015 0.000 0.953 71 L HN -0.123 nan 8.230 nan 0.000 0.452 72 V N -1.977 117.923 119.914 -0.023 0.000 2.806 72 V HA 0.067 4.187 4.120 -0.000 0.000 0.239 72 V C 1.024 177.101 176.094 -0.030 0.000 1.113 72 V CA -0.042 62.242 62.300 -0.026 0.000 1.137 72 V CB 0.731 32.537 31.823 -0.028 0.000 0.865 72 V HN -0.137 nan 8.190 nan 0.000 0.482 73 V N 1.912 121.808 119.914 -0.029 0.000 2.673 73 V HA 0.411 4.531 4.120 -0.000 0.000 0.303 73 V C 1.540 177.616 176.094 -0.030 0.000 1.046 73 V CA 1.645 63.926 62.300 -0.031 0.000 1.126 73 V CB -0.033 31.773 31.823 -0.029 0.000 0.934 73 V HN 0.764 nan 8.190 nan 0.000 0.487 74 G N 3.130 111.910 108.800 -0.034 0.000 2.268 74 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.240 74 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.240 74 G C 0.226 175.104 174.900 -0.037 0.000 1.010 74 G CA -0.141 44.939 45.100 -0.034 0.000 0.618 74 G HN 0.590 nan 8.290 nan 0.000 0.516 75 Q N 0.933 120.710 119.800 -0.038 0.000 2.299 75 Q HA 0.525 4.865 4.340 -0.000 0.000 0.246 75 Q C 0.477 176.447 176.000 -0.050 0.000 0.935 75 Q CA 0.231 56.011 55.803 -0.039 0.000 0.887 75 Q CB 1.514 30.232 28.738 -0.033 0.000 1.223 75 Q HN 0.400 nan 8.270 nan 0.000 0.439 76 S N 1.421 117.091 115.700 -0.051 0.000 2.531 76 S HA 0.037 4.507 4.470 -0.000 0.000 0.279 76 S C 1.331 175.890 174.600 -0.068 0.000 1.305 76 S CA -0.539 57.621 58.200 -0.068 0.000 1.058 76 S CB 0.181 63.346 63.200 -0.057 0.000 0.899 76 S HN 0.507 nan 8.310 nan 0.000 0.493 77 I N 5.574 126.086 120.570 -0.097 0.000 2.399 77 I HA -0.043 4.127 4.170 -0.000 0.000 0.254 77 I C 2.328 178.415 176.117 -0.050 0.000 1.146 77 I CA 1.763 63.013 61.300 -0.083 0.000 1.412 77 I CB -0.793 37.129 38.000 -0.129 0.000 1.076 77 I HN 0.885 nan 8.210 nan 0.000 0.432 78 G N -0.569 108.199 108.800 -0.053 0.000 2.679 78 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.212 78 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.212 78 G C 1.460 176.357 174.900 -0.005 0.000 1.137 78 G CA -0.029 45.067 45.100 -0.007 0.000 0.787 78 G HN 0.318 nan 8.290 nan 0.000 0.534 79 R N 0.203 120.693 120.500 -0.017 0.000 2.694 79 R HA 0.175 4.515 4.340 -0.000 0.000 0.334 79 R C 1.490 177.782 176.300 -0.013 0.000 1.143 79 R CA -0.061 56.031 56.100 -0.013 0.000 1.073 79 R CB 0.061 30.351 30.300 -0.016 0.000 1.366 79 R HN 0.093 nan 8.270 nan 0.000 0.577 80 T N 1.287 115.833 114.554 -0.012 0.000 2.653 80 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 80 T C 1.585 176.279 174.700 -0.009 0.000 1.035 80 T CA 1.534 63.626 62.100 -0.013 0.000 1.154 80 T CB -0.063 68.799 68.868 -0.010 0.000 0.862 80 T HN 0.352 nan 8.240 nan 0.000 0.441 81 N N 0.689 119.386 118.700 -0.005 0.000 2.106 81 N HA -0.044 4.696 4.740 -0.000 0.000 0.188 81 N C 2.251 177.758 175.510 -0.004 0.000 1.029 81 N CA 1.368 54.416 53.050 -0.003 0.000 0.848 81 N CB -0.886 37.600 38.487 -0.003 0.000 1.007 81 N HN 0.494 nan 8.380 nan 0.000 0.423 82 G N 1.220 110.016 108.800 -0.006 0.000 2.446 82 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 82 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 82 G C 1.753 176.648 174.900 -0.008 0.000 1.168 82 G CA 0.928 46.024 45.100 -0.007 0.000 0.771 82 G HN 0.197 nan 8.290 nan 0.000 0.551 83 V N 0.899 120.806 119.914 -0.011 0.000 2.343 83 V HA -0.134 3.986 4.120 -0.000 0.000 0.247 83 V C 2.915 179.003 176.094 -0.010 0.000 1.051 83 V CA 1.603 63.896 62.300 -0.013 0.000 1.036 83 V CB -0.382 31.431 31.823 -0.018 0.000 0.654 83 V HN 0.355 nan 8.190 nan 0.000 0.451 84 L N -0.759 120.459 121.223 -0.007 0.000 2.109 84 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 84 L C 2.648 179.518 176.870 0.001 0.000 1.086 84 L CA 1.273 56.111 54.840 -0.003 0.000 0.760 84 L CB -0.700 41.359 42.059 0.001 0.000 0.910 84 L HN 0.244 nan 8.230 nan 0.000 0.437 85 S N 0.040 115.740 115.700 0.001 0.000 2.365 85 S HA -0.229 4.240 4.470 -0.000 0.000 0.225 85 S C 2.215 176.815 174.600 -0.000 0.000 1.039 85 S CA 1.930 60.131 58.200 0.001 0.000 1.033 85 S CB -0.274 62.925 63.200 -0.001 0.000 0.887 85 S HN 0.647 nan 8.310 nan 0.000 0.447 86 S N 0.854 116.552 115.700 -0.003 0.000 2.436 86 S HA 0.112 4.582 4.470 -0.000 0.000 0.228 86 S C 1.734 176.332 174.600 -0.004 0.000 1.014 86 S CA 0.478 58.676 58.200 -0.004 0.000 0.950 86 S CB -0.524 62.672 63.200 -0.007 0.000 0.784 86 S HN 0.490 nan 8.310 nan 0.000 0.504 87 I N 1.421 121.988 120.570 -0.005 0.000 2.439 87 I HA -0.059 4.111 4.170 -0.000 0.000 0.251 87 I C 2.954 179.070 176.117 -0.002 0.000 1.139 87 I CA 1.126 62.423 61.300 -0.005 0.000 1.438 87 I CB -0.242 37.753 38.000 -0.008 0.000 1.085 87 I HN 0.319 nan 8.210 nan 0.000 0.427 88 R N 1.231 121.732 120.500 0.001 0.000 2.075 88 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 88 R C 2.461 178.764 176.300 0.005 0.000 1.126 88 R CA 1.312 57.415 56.100 0.006 0.000 0.963 88 R CB -0.057 30.250 30.300 0.011 0.000 0.858 88 R HN 0.234 nan 8.270 nan 0.000 0.435 89 R N 0.063 120.565 120.500 0.004 0.000 2.070 89 R HA -0.086 4.254 4.340 -0.000 0.000 0.233 89 R C 2.378 178.680 176.300 0.002 0.000 1.137 89 R CA 1.477 57.579 56.100 0.003 0.000 0.945 89 R CB -0.587 29.714 30.300 0.002 0.000 0.845 89 R HN 0.264 nan 8.270 nan 0.000 0.430 90 A N 1.031 123.851 122.820 0.000 0.000 2.084 90 A HA -0.126 4.194 4.320 -0.000 0.000 0.221 90 A C 2.028 179.612 177.584 0.000 0.000 1.161 90 A CA 1.292 53.328 52.037 -0.001 0.000 0.653 90 A CB -0.374 18.625 19.000 -0.003 0.000 0.802 90 A HN 0.223 nan 8.150 nan 0.000 0.457 91 L N -2.013 119.210 121.223 0.001 0.000 2.515 91 L HA 0.247 4.587 4.340 -0.000 0.000 0.223 91 L C 1.569 178.443 176.870 0.006 0.000 1.079 91 L CA 0.170 55.012 54.840 0.003 0.000 0.857 91 L CB -0.274 41.786 42.059 0.001 0.000 1.050 91 L HN 0.403 nan 8.230 nan 0.000 0.476 125 M N 2.279 121.889 119.600 0.016 0.000 2.279 125 M HA -0.016 4.464 4.480 -0.000 0.000 0.264 125 M C -0.029 176.256 176.300 -0.024 0.000 1.062 125 M CA 2.273 57.570 55.300 -0.005 0.000 1.099 125 M CB 0.052 32.655 32.600 0.005 0.000 1.394 125 M HN 0.706 nan 8.290 nan 0.000 0.426 126 D N 1.091 121.476 120.400 -0.025 0.000 2.178 126 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 126 D C 1.587 177.830 176.300 -0.096 0.000 0.980 126 D CA 1.281 55.260 54.000 -0.035 0.000 0.842 126 D CB -0.240 40.555 40.800 -0.009 0.000 0.948 126 D HN 0.506 nan 8.370 nan 0.000 0.472 127 N N 0.324 118.909 118.700 -0.192 0.000 2.149 127 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 127 N C 1.852 177.293 175.510 -0.116 0.000 1.019 127 N CA 0.598 53.503 53.050 -0.242 0.000 0.857 127 N CB -0.306 37.979 38.487 -0.335 0.000 0.997 127 N HN 0.145 nan 8.380 nan 0.000 0.426 128 V N 2.354 122.221 119.914 -0.079 0.000 2.244 128 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 128 V C 2.428 178.499 176.094 -0.038 0.000 1.042 128 V CA 1.069 63.340 62.300 -0.048 0.000 1.006 128 V CB -0.390 31.413 31.823 -0.033 0.000 0.641 128 V HN 0.155 nan 8.190 nan 0.000 0.446 129 I N 0.620 121.172 120.570 -0.030 0.000 2.087 129 I HA -0.309 3.861 4.170 -0.000 0.000 0.240 129 I C 2.569 178.673 176.117 -0.022 0.000 1.054 129 I CA 2.489 63.779 61.300 -0.017 0.000 1.311 129 I CB -1.971 36.028 38.000 -0.001 0.000 1.024 129 I HN 0.358 nan 8.210 nan 0.000 0.402 130 T N 1.365 115.901 114.554 -0.029 0.000 2.759 130 T HA -0.143 4.206 4.350 -0.000 0.000 0.269 130 T C 2.047 176.721 174.700 -0.043 0.000 1.042 130 T CA 1.576 63.654 62.100 -0.036 0.000 1.140 130 T CB -0.418 68.419 68.868 -0.051 0.000 0.864 130 T HN 0.503 nan 8.240 nan 0.000 0.455 131 A N 0.968 123.766 122.820 -0.037 0.000 1.908 131 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 131 A C 2.600 180.161 177.584 -0.037 0.000 1.181 131 A CA 1.561 53.578 52.037 -0.033 0.000 0.627 131 A CB -0.970 18.011 19.000 -0.032 0.000 0.818 131 A HN 0.380 nan 8.150 nan 0.000 0.445 132 V N -0.161 119.733 119.914 -0.034 0.000 2.379 132 V HA -0.218 3.901 4.120 -0.000 0.000 0.245 132 V C 2.465 178.539 176.094 -0.033 0.000 1.044 132 V CA 2.011 64.292 62.300 -0.033 0.000 1.036 132 V CB -0.735 31.071 31.823 -0.028 0.000 0.664 132 V HN 0.742 nan 8.190 nan 0.000 0.453 133 E N 0.613 120.795 120.200 -0.030 0.000 2.065 133 E HA -0.316 4.034 4.350 -0.000 0.000 0.201 133 E C 2.258 178.833 176.600 -0.042 0.000 1.016 133 E CA 1.823 58.205 56.400 -0.029 0.000 0.818 133 E CB -0.242 29.446 29.700 -0.020 0.000 0.749 133 E HN 0.540 nan 8.360 nan 0.000 0.453 134 A N 1.267 124.055 122.820 -0.053 0.000 1.873 134 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 134 A C 2.446 179.992 177.584 -0.063 0.000 1.193 134 A CA 2.551 54.547 52.037 -0.069 0.000 0.629 134 A CB -1.051 17.903 19.000 -0.076 0.000 0.826 134 A HN 0.461 nan 8.150 nan 0.000 0.447 135 A N -1.042 121.747 122.820 -0.051 0.000 1.902 135 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 135 A C 2.052 179.610 177.584 -0.042 0.000 1.181 135 A CA 1.780 53.789 52.037 -0.046 0.000 0.623 135 A CB -0.565 18.410 19.000 -0.042 0.000 0.818 135 A HN 0.403 nan 8.150 nan 0.000 0.443 136 L N -0.988 120.211 121.223 -0.039 0.000 2.017 136 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 136 L C 2.392 179.243 176.870 -0.031 0.000 1.073 136 L CA 1.371 56.191 54.840 -0.033 0.000 0.745 136 L CB -1.105 40.937 42.059 -0.029 0.000 0.894 136 L HN 0.277 nan 8.230 nan 0.000 0.432 137 L N -0.570 120.629 121.223 -0.040 0.000 2.046 137 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 137 L C 2.321 179.155 176.870 -0.060 0.000 1.077 137 L CA 1.595 56.406 54.840 -0.048 0.000 0.747 137 L CB -1.070 40.951 42.059 -0.064 0.000 0.896 137 L HN 0.326 nan 8.230 nan 0.000 0.432 138 D N -0.500 119.857 120.400 -0.071 0.000 2.103 138 D HA -0.217 4.423 4.640 -0.000 0.000 0.190 138 D C 2.328 178.610 176.300 -0.030 0.000 0.997 138 D CA 1.447 55.407 54.000 -0.068 0.000 0.833 138 D CB -0.109 40.654 40.800 -0.061 0.000 0.961 138 D HN 0.267 nan 8.370 nan 0.000 0.447 139 L N 0.192 121.404 121.223 -0.019 0.000 2.131 139 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 139 L C 2.715 179.610 176.870 0.041 0.000 1.092 139 L CA 0.464 55.305 54.840 0.003 0.000 0.759 139 L CB -0.281 41.767 42.059 -0.018 0.000 0.903 139 L HN 0.198 nan 8.230 nan 0.000 0.435 140 L N -0.464 120.779 121.223 0.033 0.000 2.072 140 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 140 L C 2.485 179.408 176.870 0.088 0.000 1.079 140 L CA 1.417 56.306 54.840 0.082 0.000 0.752 140 L CB -0.662 41.424 42.059 0.045 0.000 0.906 140 L HN 0.281 nan 8.230 nan 0.000 0.436 141 G N -0.754 108.060 108.800 0.023 0.000 2.440 141 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.218 141 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.218 141 G C 1.369 176.280 174.900 0.018 0.000 1.154 141 G CA 0.539 45.638 45.100 -0.001 0.000 0.767 141 G HN 0.454 nan 8.290 nan 0.000 0.552 142 Q N -0.833 118.989 119.800 0.037 0.000 2.084 142 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 142 Q C 2.278 178.333 176.000 0.092 0.000 0.978 142 Q CA 1.214 57.047 55.803 0.049 0.000 0.844 142 Q CB -0.312 28.455 28.738 0.048 0.000 0.898 142 Q HN 0.498 nan 8.270 nan 0.000 0.426 143 F N 1.404 121.342 119.950 -0.020 0.000 2.102 143 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 143 F C 1.643 177.432 175.800 -0.018 0.000 1.105 143 F CA 1.333 59.323 58.000 -0.016 0.000 1.239 143 F CB -0.100 38.892 39.000 -0.014 0.000 0.991 143 F HN -0.059 nan 8.300 nan 0.000 0.474 144 L N 0.128 121.273 121.223 -0.130 0.000 2.554 144 L HA 0.020 4.360 4.340 -0.000 0.000 0.226 144 L C 0.290 177.067 176.870 -0.156 0.000 1.137 144 L CA 0.646 55.346 54.840 -0.233 0.000 0.863 144 L CB -0.720 41.287 42.059 -0.086 0.000 0.985 144 L HN 0.183 nan 8.230 nan 0.000 0.451 145 E N -0.201 119.941 120.200 -0.097 0.000 2.358 145 E HA -0.158 4.192 4.350 -0.000 0.000 0.246 145 E C -0.553 176.021 176.600 -0.043 0.000 1.127 145 E CA 0.369 56.730 56.400 -0.066 0.000 0.726 145 E CB -1.921 27.726 29.700 -0.088 0.000 1.272 145 E HN 0.366 nan 8.360 nan 0.000 0.390 146 V N -4.072 115.824 119.914 -0.029 0.000 2.971 146 V HA 0.743 4.863 4.120 -0.000 0.000 0.309 146 V C -2.594 173.499 176.094 -0.002 0.000 1.130 146 V CA -2.516 59.776 62.300 -0.014 0.000 0.964 146 V CB 2.212 34.023 31.823 -0.019 0.000 1.029 146 V HN -0.099 nan 8.190 nan 0.000 0.427 147 P HA 0.180 nan 4.420 nan 0.000 0.270 147 P C 1.089 178.385 177.300 -0.007 0.000 1.223 147 P CA 0.109 63.244 63.100 0.059 0.000 0.785 147 P CB 1.263 33.069 31.700 0.177 0.000 0.923 148 V N 2.062 121.864 119.914 -0.187 0.000 2.392 148 V HA -0.306 3.814 4.120 -0.000 0.000 0.249 148 V C 2.668 178.746 176.094 -0.026 0.000 1.059 148 V CA 2.771 64.944 62.300 -0.211 0.000 1.051 148 V CB -1.762 29.785 31.823 -0.459 0.000 0.658 148 V HN 0.687 nan 8.190 nan 0.000 0.455 149 A N -0.652 122.287 122.820 0.198 0.000 1.958 149 A HA -0.301 4.019 4.320 -0.000 0.000 0.221 149 A C 2.221 179.836 177.584 0.052 0.000 1.178 149 A CA 2.053 54.190 52.037 0.166 0.000 0.642 149 A CB -0.482 18.633 19.000 0.191 0.000 0.816 149 A HN 0.511 nan 8.150 nan 0.000 0.453 150 E N -0.432 119.791 120.200 0.038 0.000 2.268 150 E HA -0.061 4.289 4.350 -0.000 0.000 0.195 150 E C 1.721 178.317 176.600 -0.007 0.000 0.995 150 E CA 0.686 57.090 56.400 0.007 0.000 0.836 150 E CB -0.147 29.555 29.700 0.004 0.000 0.763 150 E HN 0.730 nan 8.360 nan 0.000 0.491 151 L N 0.003 121.220 121.223 -0.010 0.000 2.529 151 L HA 0.138 4.478 4.340 -0.000 0.000 0.223 151 L C 0.834 177.694 176.870 -0.017 0.000 1.113 151 L CA -0.019 54.812 54.840 -0.015 0.000 0.861 151 L CB 0.155 42.203 42.059 -0.019 0.000 1.012 151 L HN -0.088 nan 8.230 nan 0.000 0.461 152 L N -0.065 121.147 121.223 -0.018 0.000 2.312 152 L HA 0.472 4.812 4.340 -0.000 0.000 0.281 152 L C 1.255 178.102 176.870 -0.039 0.000 1.070 152 L CA -0.027 54.798 54.840 -0.025 0.000 0.805 152 L CB 0.944 42.989 42.059 -0.024 0.000 1.174 152 L HN 0.234 nan 8.230 nan 0.000 0.434 153 G N 2.825 111.600 108.800 -0.042 0.000 2.596 153 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.295 153 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.295 153 G C 0.486 175.355 174.900 -0.051 0.000 1.240 153 G CA 0.282 45.348 45.100 -0.057 0.000 0.985 153 G HN 0.963 nan 8.290 nan 0.000 0.555 154 A N 0.598 123.382 122.820 -0.060 0.000 2.532 154 A HA 0.711 5.031 4.320 -0.000 0.000 0.273 154 A C 1.684 179.242 177.584 -0.044 0.000 1.342 154 A CA 1.474 53.482 52.037 -0.048 0.000 0.929 154 A CB -1.006 17.964 19.000 -0.050 0.000 1.051 154 A HN 2.852 nan 8.150 nan 0.000 0.521 155 G N -0.661 108.113 108.800 -0.042 0.000 2.610 155 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.304 155 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.304 155 G C -0.304 174.574 174.900 -0.036 0.000 1.309 155 G CA -0.254 44.827 45.100 -0.032 0.000 0.906 155 G HN 0.752 nan 8.290 nan 0.000 0.521 156 Q N -0.133 119.654 119.800 -0.022 0.000 2.313 156 Q HA 0.429 4.769 4.340 -0.000 0.000 0.266 156 Q C 1.017 176.997 176.000 -0.035 0.000 0.989 156 Q CA 0.195 55.984 55.803 -0.023 0.000 0.890 156 Q CB 0.485 29.219 28.738 -0.008 0.000 1.200 156 Q HN 0.504 nan 8.270 nan 0.000 0.396 157 Q N 2.879 122.652 119.800 -0.046 0.000 2.353 157 Q HA 0.154 4.493 4.340 -0.000 0.000 0.240 157 Q C -0.187 175.793 176.000 -0.033 0.000 0.868 157 Q CA 0.551 56.326 55.803 -0.047 0.000 0.944 157 Q CB 1.010 29.706 28.738 -0.071 0.000 1.104 157 Q HN 0.681 nan 8.270 nan 0.000 0.531 158 R N -0.992 119.491 120.500 -0.028 0.000 2.764 158 R HA 0.483 4.823 4.340 -0.000 0.000 0.270 158 R C -0.893 175.398 176.300 -0.014 0.000 1.014 158 R CA -0.583 55.509 56.100 -0.013 0.000 0.904 158 R CB 0.621 30.923 30.300 0.003 0.000 1.236 158 R HN -0.352 nan 8.270 nan 0.000 0.466 159 D N 0.117 120.511 120.400 -0.009 0.000 2.379 159 D HA 0.087 4.726 4.640 -0.000 0.000 0.208 159 D C -0.284 176.012 176.300 -0.007 0.000 1.065 159 D CA 0.623 54.613 54.000 -0.016 0.000 0.848 159 D CB 0.730 41.517 40.800 -0.021 0.000 0.949 159 D HN 0.559 nan 8.370 nan 0.000 0.509 160 S N -0.730 114.985 115.700 0.026 0.000 2.564 160 S HA 0.796 5.266 4.470 -0.000 0.000 0.274 160 S C -0.869 173.812 174.600 0.136 0.000 1.124 160 S CA -1.036 57.212 58.200 0.080 0.000 0.869 160 S CB 2.386 65.650 63.200 0.106 0.000 1.105 160 S HN -0.019 nan 8.310 nan 0.000 0.472 161 A N 2.833 125.723 122.820 0.116 0.000 2.271 161 A HA 0.791 5.111 4.320 -0.000 0.000 0.317 161 A C -2.748 174.820 177.584 -0.028 0.000 1.245 161 A CA -2.060 50.019 52.037 0.070 0.000 0.857 161 A CB 0.326 19.358 19.000 0.054 0.000 1.175 161 A HN 0.663 nan 8.150 nan 0.000 0.512 162 P HA 0.262 nan 4.420 nan 0.000 0.276 162 P C -0.730 176.424 177.300 -0.243 0.000 1.235 162 P CA 0.155 62.963 63.100 -0.487 0.000 0.772 162 P CB 0.949 32.458 31.700 -0.318 0.000 0.871 163 M N 3.254 122.724 119.600 -0.217 0.000 2.664 163 M HA 0.451 4.931 4.480 -0.000 0.000 0.314 163 M C 0.106 176.401 176.300 -0.007 0.000 1.200 163 M CA -1.014 54.258 55.300 -0.046 0.000 0.916 163 M CB 1.697 34.359 32.600 0.103 0.000 1.717 163 M HN 0.190 nan 8.290 nan 0.000 0.470 164 L N -0.039 121.095 121.223 -0.148 0.000 2.286 164 L HA 1.042 5.382 4.340 -0.000 0.000 0.265 164 L C -0.414 175.897 176.870 -0.932 0.000 1.012 164 L CA -1.071 53.512 54.840 -0.428 0.000 0.818 164 L CB 0.781 42.601 42.059 -0.398 0.000 1.337 164 L HN 0.704 nan 8.230 nan 0.000 0.438 165 A N 0.447 122.458 122.820 -1.349 0.000 2.252 165 A HA 0.509 4.829 4.320 -0.000 0.000 0.309 165 A C -1.270 176.017 177.584 -0.494 0.000 1.285 165 A CA -0.231 50.961 52.037 -1.408 0.000 0.900 165 A CB -0.231 17.911 19.000 -1.431 0.000 1.157 165 A HN 0.610 nan 8.150 nan 0.000 0.536 166 Y N 4.610 124.696 120.300 -0.357 0.000 2.650 166 Y HA 0.397 4.947 4.550 -0.000 0.000 0.343 166 Y C -0.211 175.838 175.900 0.249 0.000 1.078 166 Y CA -1.174 56.881 58.100 -0.075 0.000 1.356 166 Y CB 0.034 38.496 38.460 0.004 0.000 1.204 166 Y HN 0.535 nan 8.280 nan 0.000 0.508 167 L N 5.416 126.861 121.223 0.371 0.000 2.395 167 L HA 0.360 4.700 4.340 -0.000 0.000 0.269 167 L C -0.770 176.239 176.870 0.231 0.000 1.133 167 L CA -0.268 54.816 54.840 0.407 0.000 0.812 167 L CB 0.649 42.801 42.059 0.155 0.000 1.125 167 L HN 0.332 nan 8.230 nan 0.000 0.452 168 F N -0.076 119.989 119.950 0.191 0.000 2.588 168 F HA 0.421 4.948 4.527 -0.000 0.000 0.314 168 F C -0.184 175.551 175.800 -0.109 0.000 1.069 168 F CA -0.777 57.170 58.000 -0.087 0.000 0.931 168 F CB 1.249 40.024 39.000 -0.375 0.000 1.260 168 F HN 0.135 nan 8.300 nan 0.000 0.465 169 Y N 1.241 121.618 120.300 0.129 0.000 2.511 169 Y HA 0.396 4.946 4.550 -0.000 0.000 0.332 169 Y C 0.169 176.069 175.900 -0.000 0.000 1.177 169 Y CA -0.169 57.967 58.100 0.060 0.000 1.422 169 Y CB 0.330 38.803 38.460 0.021 0.000 1.271 169 Y HN 0.136 nan 8.280 nan 0.000 0.550 170 V N 3.143 123.130 119.914 0.121 0.000 2.459 170 V HA 0.569 4.689 4.120 -0.000 0.000 0.295 170 V C 0.511 176.571 176.094 -0.056 0.000 1.029 170 V CA -1.046 61.229 62.300 -0.041 0.000 0.874 170 V CB 1.556 33.343 31.823 -0.060 0.000 0.985 170 V HN 0.958 nan 8.190 nan 0.000 0.438 171 G N 1.458 110.174 108.800 -0.141 0.000 2.476 171 G HA2 0.313 4.272 3.960 -0.000 0.000 0.269 171 G HA3 0.313 4.272 3.960 -0.000 0.000 0.269 171 G C -0.387 174.410 174.900 -0.172 0.000 1.195 171 G CA -0.252 44.763 45.100 -0.142 0.000 0.843 171 G HN 0.710 nan 8.290 nan 0.000 0.545 172 D N 0.631 120.959 120.400 -0.120 0.000 2.348 172 D HA -0.004 4.636 4.640 -0.000 0.000 0.259 172 D C 1.958 178.164 176.300 -0.156 0.000 1.296 172 D CA -0.438 53.494 54.000 -0.113 0.000 0.931 172 D CB 0.529 41.291 40.800 -0.063 0.000 1.067 172 D HN 0.526 nan 8.370 nan 0.000 0.503 173 R N 3.271 123.635 120.500 -0.227 0.000 2.193 173 R HA -0.071 4.269 4.340 -0.000 0.000 0.229 173 R C 1.226 177.459 176.300 -0.111 0.000 1.110 173 R CA 0.741 56.680 56.100 -0.269 0.000 0.988 173 R CB -0.166 29.944 30.300 -0.316 0.000 0.871 173 R HN 0.267 nan 8.270 nan 0.000 0.458 174 R N 1.114 121.566 120.500 -0.081 0.000 2.339 174 R HA 0.060 4.400 4.340 -0.000 0.000 0.199 174 R C 0.878 177.153 176.300 -0.041 0.000 1.018 174 R CA 0.605 56.676 56.100 -0.048 0.000 1.036 174 R CB 0.078 30.357 30.300 -0.036 0.000 0.899 174 R HN 0.289 nan 8.270 nan 0.000 0.473 175 K N 0.849 121.221 120.400 -0.047 0.000 2.410 175 K HA 0.027 4.347 4.320 -0.000 0.000 0.200 175 K C 0.370 176.946 176.600 -0.040 0.000 1.023 175 K CA 0.304 56.585 56.287 -0.011 0.000 1.149 175 K CB 0.730 33.239 32.500 0.016 0.000 0.859 175 K HN 0.142 nan 8.250 nan 0.000 0.514 176 T N -1.968 112.489 114.554 -0.162 0.000 2.901 176 T HA 0.176 4.526 4.350 -0.000 0.000 0.293 176 T C -0.066 174.438 174.700 -0.326 0.000 1.084 176 T CA -0.907 60.899 62.100 -0.490 0.000 1.008 176 T CB 1.818 70.383 68.868 -0.504 0.000 1.170 176 T HN 0.000 nan 8.240 nan 0.000 0.509 177 D N 0.748 120.892 120.400 -0.428 0.000 2.340 177 D HA 0.181 4.821 4.640 -0.000 0.000 0.217 177 D C 0.560 176.769 176.300 -0.152 0.000 1.081 177 D CA -0.295 53.599 54.000 -0.178 0.000 0.842 177 D CB -0.463 40.296 40.800 -0.069 0.000 0.934 177 D HN 0.559 nan 8.370 nan 0.000 0.511 178 L N 0.338 121.434 121.223 -0.212 0.000 2.417 178 L HA 0.344 4.684 4.340 -0.000 0.000 0.268 178 L C -1.756 175.003 176.870 -0.185 0.000 1.158 178 L CA -1.936 52.781 54.840 -0.205 0.000 0.819 178 L CB 0.280 42.145 42.059 -0.323 0.000 1.112 178 L HN -0.225 nan 8.230 nan 0.000 0.458 179 P HA 0.106 nan 4.420 nan 0.000 0.226 179 P C -0.872 176.263 177.300 -0.275 0.000 1.758 179 P CA -0.318 62.686 63.100 -0.160 0.000 0.896 179 P CB -0.473 31.200 31.700 -0.045 0.000 1.784 180 Y N 0.301 120.496 120.300 -0.175 0.000 2.712 180 Y HA -0.038 4.512 4.550 -0.000 0.000 0.333 180 Y C 1.685 177.485 175.900 -0.167 0.000 1.225 180 Y CA -0.152 57.839 58.100 -0.181 0.000 1.499 180 Y CB 0.060 38.442 38.460 -0.130 0.000 1.288 180 Y HN 0.013 nan 8.280 nan 0.000 0.575 181 L N 2.787 123.980 121.223 -0.050 0.000 2.473 181 L HA 0.109 4.449 4.340 -0.000 0.000 0.268 181 L C 0.316 177.029 176.870 -0.261 0.000 1.215 181 L CA -0.028 54.702 54.840 -0.184 0.000 0.823 181 L CB 0.598 42.486 42.059 -0.285 0.000 1.099 181 L HN 0.670 nan 8.230 nan 0.000 0.483 182 E N -0.175 119.865 120.200 -0.268 0.000 2.222 182 E HA 0.477 4.827 4.350 -0.000 0.000 0.267 182 E C -0.401 176.002 176.600 -0.327 0.000 0.963 182 E CA -0.685 55.575 56.400 -0.235 0.000 0.837 182 E CB 1.771 31.407 29.700 -0.108 0.000 1.183 182 E HN 0.611 nan 8.360 nan 0.000 0.403 183 G N 1.377 110.077 108.800 -0.168 0.000 2.338 183 G HA2 0.511 4.471 3.960 -0.000 0.000 0.298 183 G HA3 0.511 4.471 3.960 -0.000 0.000 0.298 183 G C -0.176 174.703 174.900 -0.035 0.000 1.140 183 G CA -0.047 45.024 45.100 -0.048 0.000 0.860 183 G HN 0.660 nan 8.290 nan 0.000 0.470 189 D N -0.666 119.774 120.400 0.068 0.000 2.133 189 D HA -0.122 4.518 4.640 -0.000 0.000 0.195 189 D C 1.275 177.631 176.300 0.094 0.000 0.997 189 D CA 1.356 55.401 54.000 0.076 0.000 0.840 189 D CB -0.217 40.640 40.800 0.095 0.000 0.947 189 D HN 0.473 nan 8.370 nan 0.000 0.452 190 W N 1.170 122.447 121.300 -0.039 0.000 2.355 190 W HA -0.147 4.513 4.660 -0.000 0.000 0.309 190 W C 1.602 178.077 176.519 -0.073 0.000 1.206 190 W CA 0.728 58.036 57.345 -0.061 0.000 1.284 190 W CB -0.332 29.096 29.460 -0.053 0.000 1.145 190 W HN -0.016 nan 8.180 nan 0.000 0.502 191 L N 0.522 121.693 121.223 -0.086 0.000 2.456 191 L HA -0.149 4.191 4.340 -0.000 0.000 0.224 191 L C 2.670 179.477 176.870 -0.105 0.000 1.148 191 L CA 1.081 55.837 54.840 -0.139 0.000 0.825 191 L CB -0.610 41.462 42.059 0.022 0.000 0.937 191 L HN 0.045 nan 8.230 nan 0.000 0.450 192 R N 0.168 120.606 120.500 -0.103 0.000 2.121 192 R HA 0.038 4.378 4.340 -0.000 0.000 0.206 192 R C 2.220 178.452 176.300 -0.112 0.000 1.094 192 R CA 0.278 56.354 56.100 -0.040 0.000 1.055 192 R CB 0.046 30.337 30.300 -0.016 0.000 0.964 192 R HN 0.208 nan 8.270 nan 0.000 0.473 193 L N 1.839 122.946 121.223 -0.194 0.000 2.201 193 L HA -0.082 4.258 4.340 -0.000 0.000 0.212 193 L C 2.514 179.177 176.870 -0.346 0.000 1.105 193 L CA 1.276 55.998 54.840 -0.196 0.000 0.775 193 L CB -0.338 41.651 42.059 -0.116 0.000 0.913 193 L HN 0.288 nan 8.230 nan 0.000 0.440 194 R N -1.023 119.039 120.500 -0.729 0.000 2.237 194 R HA -0.136 4.204 4.340 -0.000 0.000 0.219 194 R C 1.290 177.298 176.300 -0.487 0.000 1.080 194 R CA 1.189 56.768 56.100 -0.869 0.000 0.995 194 R CB -0.458 28.882 30.300 -1.599 0.000 0.875 194 R HN 0.459 nan 8.270 nan 0.000 0.462 195 H N -0.104 118.863 119.070 -0.172 0.000 2.652 195 H HA 0.284 4.840 4.556 -0.000 0.000 0.274 195 H C -0.200 175.064 175.328 -0.108 0.000 1.021 195 H CA -0.140 55.841 56.048 -0.111 0.000 1.187 195 H CB 0.551 30.253 29.762 -0.100 0.000 1.505 195 H HN 0.184 nan 8.280 nan 0.000 0.530 196 E N 0.835 121.021 120.200 -0.023 0.000 2.222 196 E HA 0.498 4.848 4.350 -0.000 0.000 0.272 196 E C 0.085 176.662 176.600 -0.037 0.000 0.982 196 E CA -0.910 55.473 56.400 -0.029 0.000 0.842 196 E CB 1.919 31.605 29.700 -0.023 0.000 1.144 196 E HN 0.154 nan 8.360 nan 0.000 0.397 197 A N 1.060 123.858 122.820 -0.037 0.000 2.531 197 A HA 0.428 4.748 4.320 -0.000 0.000 0.236 197 A C -0.098 177.495 177.584 0.016 0.000 1.062 197 A CA 0.489 52.510 52.037 -0.026 0.000 0.760 197 A CB 0.020 19.003 19.000 -0.030 0.000 0.995 197 A HN 0.506 nan 8.150 nan 0.000 0.501 198 A N 3.237 126.089 122.820 0.053 0.000 2.605 198 A HA 0.596 4.915 4.320 -0.000 0.000 0.293 198 A C 0.058 177.763 177.584 0.202 0.000 1.216 198 A CA -0.422 51.677 52.037 0.104 0.000 0.742 198 A CB 0.435 19.500 19.000 0.108 0.000 1.170 198 A HN 0.724 nan 8.150 nan 0.000 0.443 199 M N 1.246 120.950 119.600 0.173 0.000 2.300 199 M HA 0.143 4.623 4.480 -0.000 0.000 0.313 199 M C 0.493 176.904 176.300 0.185 0.000 0.988 199 M CA 0.544 55.952 55.300 0.180 0.000 1.012 199 M CB -0.035 32.594 32.600 0.047 0.000 1.586 199 M HN 0.783 nan 8.290 nan 0.000 0.562 200 T N -3.282 111.391 114.554 0.198 0.000 2.916 200 T HA 0.535 4.885 4.350 -0.000 0.000 0.292 200 T C -2.429 172.370 174.700 0.166 0.000 1.064 200 T CA -1.523 60.672 62.100 0.158 0.000 1.011 200 T CB 2.536 71.452 68.868 0.081 0.000 1.152 200 T HN -0.265 nan 8.240 nan 0.000 0.510 201 P HA -0.072 nan 4.420 nan 0.000 0.215 201 P C 1.710 179.030 177.300 0.033 0.000 1.157 201 P CA 1.785 64.928 63.100 0.072 0.000 0.874 201 P CB -0.307 31.425 31.700 0.053 0.000 0.790 202 A N -0.032 122.807 122.820 0.032 0.000 1.902 202 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 202 A C 2.333 179.931 177.584 0.023 0.000 1.181 202 A CA 2.225 54.272 52.037 0.017 0.000 0.623 202 A CB -1.627 17.382 19.000 0.015 0.000 0.818 202 A HN 0.203 nan 8.150 nan 0.000 0.443 203 A N -0.530 122.315 122.820 0.041 0.000 2.015 203 A HA 0.001 4.321 4.320 -0.000 0.000 0.219 203 A C 1.989 179.599 177.584 0.044 0.000 1.163 203 A CA 1.427 53.492 52.037 0.047 0.000 0.646 203 A CB -0.390 18.648 19.000 0.063 0.000 0.806 203 A HN 0.421 nan 8.150 nan 0.000 0.448 204 I N -0.340 120.241 120.570 0.019 0.000 2.286 204 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 204 I C 2.922 179.031 176.117 -0.014 0.000 1.104 204 I CA 1.298 62.583 61.300 -0.025 0.000 1.397 204 I CB -1.444 36.478 38.000 -0.129 0.000 1.072 204 I HN 0.361 nan 8.210 nan 0.000 0.417 205 A N 0.781 123.589 122.820 -0.020 0.000 1.908 205 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 205 A C 2.388 179.987 177.584 0.024 0.000 1.181 205 A CA 1.262 53.285 52.037 -0.024 0.000 0.627 205 A CB -0.500 18.475 19.000 -0.042 0.000 0.818 205 A HN 0.215 nan 8.150 nan 0.000 0.445 206 R N -0.388 120.134 120.500 0.036 0.000 2.103 206 R HA -0.134 4.206 4.340 -0.000 0.000 0.242 206 R C 2.106 178.480 176.300 0.123 0.000 1.142 206 R CA 1.528 57.669 56.100 0.067 0.000 0.960 206 R CB -1.055 29.277 30.300 0.054 0.000 0.858 206 R HN 0.636 nan 8.270 nan 0.000 0.439 207 L N -0.149 121.156 121.223 0.136 0.000 2.046 207 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 207 L C 2.642 179.658 176.870 0.244 0.000 1.077 207 L CA 1.423 56.415 54.840 0.252 0.000 0.747 207 L CB -0.663 41.555 42.059 0.265 0.000 0.896 207 L HN 0.183 nan 8.230 nan 0.000 0.432 208 A N 0.027 122.910 122.820 0.105 0.000 1.883 208 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 208 A C 2.126 179.806 177.584 0.160 0.000 1.186 208 A CA 1.855 53.888 52.037 -0.006 0.000 0.624 208 A CB -0.542 18.232 19.000 -0.378 0.000 0.822 208 A HN 0.469 nan 8.150 nan 0.000 0.444 209 E N -0.336 120.029 120.200 0.275 0.000 2.070 209 E HA -0.209 4.141 4.350 -0.000 0.000 0.197 209 E C 2.337 179.087 176.600 0.250 0.000 1.004 209 E CA 1.191 57.800 56.400 0.348 0.000 0.805 209 E CB -0.352 29.471 29.700 0.205 0.000 0.744 209 E HN 0.631 nan 8.360 nan 0.000 0.451 210 A N 1.400 124.361 122.820 0.234 0.000 1.933 210 A HA -0.087 4.232 4.320 -0.000 0.000 0.218 210 A C 2.384 180.086 177.584 0.197 0.000 1.175 210 A CA 1.683 53.876 52.037 0.260 0.000 0.628 210 A CB -0.559 18.669 19.000 0.380 0.000 0.814 210 A HN 0.297 nan 8.150 nan 0.000 0.444 211 A N -1.151 121.720 122.820 0.085 0.000 1.898 211 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 211 A C 2.301 179.958 177.584 0.121 0.000 1.181 211 A CA 2.214 54.138 52.037 -0.189 0.000 0.620 211 A CB -1.209 17.564 19.000 -0.378 0.000 0.819 211 A HN 0.405 nan 8.150 nan 0.000 0.442 212 T N -0.569 114.095 114.554 0.183 0.000 2.788 212 T HA -0.137 4.213 4.350 -0.000 0.000 0.268 212 T C 1.864 176.597 174.700 0.054 0.000 1.044 212 T CA 1.455 63.638 62.100 0.139 0.000 1.139 212 T CB -0.200 68.742 68.868 0.124 0.000 0.867 212 T HN 0.673 nan 8.240 nan 0.000 0.454 213 E N 0.739 120.982 120.200 0.071 0.000 2.110 213 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 213 E C 2.392 178.943 176.600 -0.083 0.000 0.988 213 E CA 0.935 57.349 56.400 0.024 0.000 0.804 213 E CB 0.014 29.748 29.700 0.056 0.000 0.745 213 E HN 0.345 nan 8.360 nan 0.000 0.458 214 R N -1.320 119.071 120.500 -0.181 0.000 2.112 214 R HA -0.056 4.284 4.340 -0.000 0.000 0.216 214 R C 1.194 177.117 176.300 -0.629 0.000 1.080 214 R CA 1.008 56.839 56.100 -0.448 0.000 0.996 214 R CB 0.149 30.066 30.300 -0.638 0.000 0.902 214 R HN 0.198 nan 8.270 nan 0.000 0.449 215 Y N -1.686 118.444 120.300 -0.283 0.000 2.426 215 Y HA 0.376 4.926 4.550 -0.000 0.000 0.249 215 Y C 1.086 176.628 175.900 -0.597 0.000 1.103 215 Y CA 0.205 58.012 58.100 -0.488 0.000 1.256 215 Y CB 1.357 39.348 38.460 -0.780 0.000 1.208 215 Y HN 0.276 nan 8.280 nan 0.000 0.519 216 G N 0.417 109.041 108.800 -0.294 0.000 2.149 216 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.235 216 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.235 216 G C -0.233 174.512 174.900 -0.258 0.000 1.018 216 G CA -0.493 44.479 45.100 -0.214 0.000 0.728 216 G HN 0.133 nan 8.290 nan 0.000 0.508 217 F N -0.121 119.717 119.950 -0.186 0.000 2.506 217 F HA 0.461 4.987 4.527 -0.000 0.000 0.351 217 F C 1.435 176.977 175.800 -0.431 0.000 1.136 217 F CA 0.570 58.338 58.000 -0.387 0.000 1.298 217 F CB 1.153 39.745 39.000 -0.680 0.000 1.145 217 F HN 0.167 nan 8.300 nan 0.000 0.593 218 A N 0.745 123.446 122.820 -0.199 0.000 2.382 218 A HA 0.237 4.557 4.320 -0.000 0.000 0.228 218 A C -0.214 177.196 177.584 -0.290 0.000 1.217 218 A CA -0.035 51.902 52.037 -0.166 0.000 0.923 218 A CB -0.088 18.901 19.000 -0.019 0.000 0.979 218 A HN 0.604 nan 8.150 nan 0.000 0.515 219 D N -1.218 118.840 120.400 -0.570 0.000 2.575 219 D HA 0.653 5.293 4.640 -0.000 0.000 0.236 219 D C -1.356 174.385 176.300 -0.932 0.000 1.075 219 D CA 0.047 53.752 54.000 -0.491 0.000 0.860 219 D CB 1.592 42.241 40.800 -0.252 0.000 1.475 219 D HN 0.099 nan 8.370 nan 0.000 0.474 220 F N 0.358 120.159 119.950 -0.249 0.000 2.578 220 F HA 0.395 4.922 4.527 -0.000 0.000 0.311 220 F C 0.287 175.903 175.800 -0.306 0.000 1.094 220 F CA -0.976 56.843 58.000 -0.302 0.000 0.923 220 F CB 2.516 41.367 39.000 -0.247 0.000 1.230 220 F HN -0.085 nan 8.300 nan 0.000 0.450 221 K N 2.850 123.144 120.400 -0.177 0.000 2.397 221 K HA 0.666 4.986 4.320 -0.000 0.000 0.253 221 K C -2.025 174.466 176.600 -0.181 0.000 0.932 221 K CA -0.845 55.278 56.287 -0.274 0.000 0.795 221 K CB 1.982 34.177 32.500 -0.510 0.000 1.159 221 K HN 0.662 nan 8.250 nan 0.000 0.424 222 L N 4.142 125.259 121.223 -0.177 0.000 2.272 222 L HA 0.385 4.725 4.340 -0.000 0.000 0.289 222 L C -0.691 176.057 176.870 -0.204 0.000 1.032 222 L CA -0.371 54.361 54.840 -0.179 0.000 0.810 222 L CB 1.005 42.961 42.059 -0.173 0.000 1.205 222 L HN 0.528 nan 8.230 nan 0.000 0.422 223 K N 3.972 124.181 120.400 -0.317 0.000 2.382 223 K HA 0.474 4.794 4.320 -0.000 0.000 0.286 223 K C 0.187 176.716 176.600 -0.118 0.000 1.062 223 K CA 0.521 56.614 56.287 -0.323 0.000 1.000 223 K CB 0.139 32.119 32.500 -0.866 0.000 0.954 223 K HN 0.788 nan 8.250 nan 0.000 0.470 224 G N 1.908 110.670 108.800 -0.064 0.000 2.641 224 G HA2 0.463 4.423 3.960 -0.000 0.000 0.239 224 G HA3 0.463 4.423 3.960 -0.000 0.000 0.239 224 G C 0.352 175.262 174.900 0.018 0.000 1.402 224 G CA -0.518 44.604 45.100 0.038 0.000 1.046 224 G HN 1.104 nan 8.290 nan 0.000 0.565 225 G N -2.543 106.268 108.800 0.018 0.000 2.176 225 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.252 225 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.252 225 G C 0.592 175.551 174.900 0.098 0.000 1.024 225 G CA 0.719 45.833 45.100 0.024 0.000 0.755 225 G HN 1.014 nan 8.290 nan 0.000 0.507 226 V N -0.172 119.804 119.914 0.102 0.000 2.870 226 V HA 0.423 4.543 4.120 -0.000 0.000 0.232 226 V C 1.675 177.744 176.094 -0.042 0.000 1.161 226 V CA 1.327 63.641 62.300 0.025 0.000 1.204 226 V CB -0.009 31.799 31.823 -0.024 0.000 1.003 226 V HN 0.351 nan 8.190 nan 0.000 0.499 227 M N 0.543 120.078 119.600 -0.108 0.000 2.369 227 M HA 0.427 4.907 4.480 -0.000 0.000 0.291 227 M C -2.494 173.839 176.300 0.054 0.000 1.178 227 M CA -2.372 52.868 55.300 -0.099 0.000 0.996 227 M CB -0.354 32.115 32.600 -0.218 0.000 1.472 227 M HN -0.040 nan 8.290 nan 0.000 0.496 228 P HA 0.040 nan 4.420 nan 0.000 0.268 228 P C 0.836 178.180 177.300 0.073 0.000 1.208 228 P CA 0.261 63.393 63.100 0.054 0.000 0.777 228 P CB 0.239 31.941 31.700 0.002 0.000 0.875 229 G N 2.036 110.837 108.800 0.001 0.000 2.446 229 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.217 229 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.217 229 G C 1.521 176.350 174.900 -0.119 0.000 1.168 229 G CA 0.966 45.984 45.100 -0.136 0.000 0.771 229 G HN 0.568 nan 8.290 nan 0.000 0.551 230 A N 0.606 123.342 122.820 -0.141 0.000 1.978 230 A HA -0.027 4.293 4.320 -0.000 0.000 0.220 230 A C 2.177 179.753 177.584 -0.013 0.000 1.170 230 A CA 1.931 53.917 52.037 -0.086 0.000 0.636 230 A CB -0.319 18.632 19.000 -0.082 0.000 0.810 230 A HN 0.500 nan 8.150 nan 0.000 0.448 231 E N -0.453 119.756 120.200 0.016 0.000 2.112 231 E HA -0.136 4.214 4.350 -0.000 0.000 0.190 231 E C 1.894 178.568 176.600 0.123 0.000 0.979 231 E CA 1.019 57.451 56.400 0.053 0.000 0.814 231 E CB -0.118 29.602 29.700 0.033 0.000 0.762 231 E HN 0.738 nan 8.360 nan 0.000 0.460 232 E N 0.310 120.612 120.200 0.170 0.000 2.152 232 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 232 E C 1.945 178.642 176.600 0.163 0.000 0.983 232 E CA 0.666 57.219 56.400 0.255 0.000 0.818 232 E CB 0.049 29.953 29.700 0.340 0.000 0.758 232 E HN 0.194 nan 8.360 nan 0.000 0.467 233 M N 0.646 120.314 119.600 0.113 0.000 2.374 233 M HA -0.091 4.389 4.480 -0.000 0.000 0.264 233 M C 1.693 178.011 176.300 0.031 0.000 1.067 233 M CA 1.247 56.582 55.300 0.058 0.000 1.103 233 M CB -0.551 32.057 32.600 0.014 0.000 1.402 233 M HN 0.115 nan 8.290 nan 0.000 0.444 234 E N 0.262 120.487 120.200 0.042 0.000 2.106 234 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 234 E C 2.109 178.728 176.600 0.033 0.000 0.984 234 E CA 1.161 57.580 56.400 0.032 0.000 0.806 234 E CB -0.017 29.705 29.700 0.037 0.000 0.750 234 E HN 0.487 nan 8.360 nan 0.000 0.458 235 A N 1.428 124.284 122.820 0.060 0.000 1.898 235 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 235 A C 2.118 179.689 177.584 -0.023 0.000 1.181 235 A CA 0.886 52.939 52.037 0.027 0.000 0.620 235 A CB -0.353 18.668 19.000 0.035 0.000 0.819 235 A HN 0.107 nan 8.150 nan 0.000 0.442 236 I N 0.120 120.681 120.570 -0.015 0.000 2.226 236 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 236 I C 2.912 179.002 176.117 -0.044 0.000 1.100 236 I CA 1.551 62.827 61.300 -0.041 0.000 1.374 236 I CB -1.570 36.411 38.000 -0.030 0.000 1.057 236 I HN 0.370 nan 8.210 nan 0.000 0.413 237 A N 0.765 123.567 122.820 -0.030 0.000 1.930 237 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 237 A C 2.567 180.131 177.584 -0.034 0.000 1.175 237 A CA 1.746 53.766 52.037 -0.029 0.000 0.627 237 A CB -0.664 18.329 19.000 -0.013 0.000 0.815 237 A HN 0.415 nan 8.150 nan 0.000 0.443 238 A N 0.084 122.884 122.820 -0.033 0.000 1.933 238 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 238 A C 2.091 179.634 177.584 -0.069 0.000 1.175 238 A CA 1.503 53.514 52.037 -0.044 0.000 0.628 238 A CB -0.575 18.407 19.000 -0.030 0.000 0.814 238 A HN 0.515 nan 8.150 nan 0.000 0.444 239 I N -0.794 119.732 120.570 -0.074 0.000 2.252 239 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 239 I C 2.381 178.468 176.117 -0.050 0.000 1.102 239 I CA 1.118 62.362 61.300 -0.094 0.000 1.385 239 I CB -0.294 37.609 38.000 -0.162 0.000 1.064 239 I HN 0.140 nan 8.210 nan 0.000 0.414 240 K N 1.230 121.603 120.400 -0.044 0.000 2.057 240 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 240 K C 2.259 178.825 176.600 -0.057 0.000 1.049 240 K CA 1.560 57.833 56.287 -0.023 0.000 0.931 240 K CB -0.660 31.825 32.500 -0.026 0.000 0.714 240 K HN 0.310 nan 8.250 nan 0.000 0.440 241 A N 1.602 124.377 122.820 -0.074 0.000 1.903 241 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 241 A C 2.274 179.756 177.584 -0.170 0.000 1.191 241 A CA 2.368 54.346 52.037 -0.099 0.000 0.638 241 A CB -0.451 18.499 19.000 -0.083 0.000 0.823 241 A HN 0.238 nan 8.150 nan 0.000 0.451 242 R N -1.571 118.779 120.500 -0.251 0.000 2.090 242 R HA 0.045 4.385 4.340 -0.000 0.000 0.228 242 R C -0.646 175.205 176.300 -0.748 0.000 1.110 242 R CA 0.979 56.762 56.100 -0.529 0.000 0.973 242 R CB -0.283 29.627 30.300 -0.650 0.000 0.869 242 R HN 0.394 nan 8.270 nan 0.000 0.440 243 F N 0.920 120.813 119.950 -0.095 0.000 2.660 243 F HA 0.395 4.922 4.527 -0.000 0.000 0.352 243 F C -1.722 174.041 175.800 -0.062 0.000 1.257 243 F CA -2.366 55.612 58.000 -0.037 0.000 1.200 243 F CB 2.102 41.100 39.000 -0.003 0.000 1.473 243 F HN -0.008 nan 8.300 nan 0.000 0.561 244 P HA -0.116 nan 4.420 nan 0.000 0.226 244 P C 0.505 177.631 177.300 -0.289 0.000 1.153 244 P CA 1.551 64.515 63.100 -0.227 0.000 0.777 244 P CB 0.094 31.538 31.700 -0.426 0.000 0.794 245 H N -1.289 117.872 119.070 0.152 0.000 2.755 245 H HA 0.442 4.998 4.556 -0.000 0.000 0.273 245 H C 0.871 176.286 175.328 0.144 0.000 1.055 245 H CA -0.387 55.739 56.048 0.131 0.000 1.191 245 H CB 0.333 30.164 29.762 0.115 0.000 1.536 245 H HN 0.096 nan 8.280 nan 0.000 0.529 246 A N 1.229 124.208 122.820 0.265 0.000 2.351 246 A HA 0.327 4.647 4.320 -0.000 0.000 0.257 246 A C 0.209 177.885 177.584 0.154 0.000 1.087 246 A CA -0.414 51.766 52.037 0.239 0.000 0.798 246 A CB 0.312 19.551 19.000 0.399 0.000 1.033 246 A HN 0.390 nan 8.150 nan 0.000 0.488 247 R N 0.534 121.092 120.500 0.096 0.000 2.298 247 R HA 0.458 4.798 4.340 -0.000 0.000 0.310 247 R C -1.150 175.154 176.300 0.007 0.000 1.068 247 R CA -0.023 56.100 56.100 0.039 0.000 0.957 247 R CB 0.836 31.152 30.300 0.026 0.000 1.003 247 R HN 0.468 nan 8.270 nan 0.000 0.454 248 V N 2.361 122.248 119.914 -0.045 0.000 2.656 248 V HA 0.439 4.559 4.120 -0.000 0.000 0.307 248 V C 0.000 175.948 176.094 -0.244 0.000 1.051 248 V CA -0.669 61.582 62.300 -0.082 0.000 0.893 248 V CB 2.022 33.828 31.823 -0.029 0.000 0.999 248 V HN 0.766 nan 8.190 nan 0.000 0.426 249 T N 3.928 118.282 114.554 -0.333 0.000 2.901 249 T HA 0.782 5.132 4.350 -0.000 0.000 0.293 249 T C -1.838 172.688 174.700 -0.290 0.000 1.084 249 T CA -0.434 61.383 62.100 -0.472 0.000 1.008 249 T CB 1.617 69.871 68.868 -1.024 0.000 1.170 249 T HN 0.524 nan 8.240 nan 0.000 0.509 250 L N 2.950 124.037 121.223 -0.226 0.000 2.386 250 L HA 0.755 5.095 4.340 -0.000 0.000 0.271 250 L C -1.491 175.268 176.870 -0.184 0.000 0.993 250 L CA -0.389 54.362 54.840 -0.149 0.000 0.819 250 L CB 2.031 44.072 42.059 -0.029 0.000 1.294 250 L HN 0.645 nan 8.230 nan 0.000 0.414 251 D N 5.688 125.971 120.400 -0.196 0.000 2.446 251 D HA 0.496 5.136 4.640 -0.000 0.000 0.251 251 D C -2.316 173.828 176.300 -0.259 0.000 1.137 251 D CA -2.000 51.868 54.000 -0.219 0.000 0.890 251 D CB 1.976 42.679 40.800 -0.162 0.000 1.071 251 D HN 0.312 nan 8.370 nan 0.000 0.528 252 P HA 0.178 nan 4.420 nan 0.000 0.257 252 P C -0.615 176.456 177.300 -0.381 0.000 1.281 252 P CA -0.073 62.691 63.100 -0.558 0.000 0.826 252 P CB -0.254 30.619 31.700 -1.379 0.000 1.237 253 N N -0.551 117.994 118.700 -0.258 0.000 2.716 253 N HA -0.200 4.539 4.740 -0.000 0.000 0.250 253 N C 0.860 176.280 175.510 -0.151 0.000 1.033 253 N CA 0.629 53.590 53.050 -0.149 0.000 0.727 253 N CB -1.548 36.915 38.487 -0.040 0.000 0.950 253 N HN 0.324 nan 8.380 nan 0.000 0.541 254 G N -1.822 106.836 108.800 -0.236 0.000 2.153 254 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.252 254 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.252 254 G C 1.022 175.828 174.900 -0.156 0.000 0.994 254 G CA 0.611 45.602 45.100 -0.182 0.000 0.698 254 G HN 0.876 nan 8.290 nan 0.000 0.521 255 A N -1.061 121.611 122.820 -0.247 0.000 2.066 255 A HA 0.319 4.639 4.320 -0.000 0.000 0.218 255 A C 1.100 178.721 177.584 0.062 0.000 1.157 255 A CA 1.059 53.023 52.037 -0.122 0.000 0.670 255 A CB -0.166 18.759 19.000 -0.125 0.000 0.804 255 A HN 0.591 nan 8.150 nan 0.000 0.453 256 W N 0.870 122.155 121.300 -0.026 0.000 2.376 256 W HA 0.507 5.167 4.660 -0.000 0.000 0.322 256 W C 0.807 177.318 176.519 -0.013 0.000 1.160 256 W CA -1.111 56.224 57.345 -0.018 0.000 1.218 256 W CB 0.163 29.613 29.460 -0.015 0.000 1.205 256 W HN 0.273 nan 8.180 nan 0.000 0.559 257 S N 1.529 117.365 115.700 0.227 0.000 2.589 257 S HA 0.024 4.494 4.470 -0.000 0.000 0.265 257 S C 0.938 175.634 174.600 0.160 0.000 1.342 257 S CA -0.471 57.812 58.200 0.139 0.000 1.005 257 S CB 0.778 64.032 63.200 0.091 0.000 0.909 257 S HN 0.451 nan 8.310 nan 0.000 0.555 258 L N 1.391 122.689 121.223 0.124 0.000 2.046 258 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 258 L C 2.061 179.018 176.870 0.145 0.000 1.077 258 L CA 1.885 56.814 54.840 0.148 0.000 0.747 258 L CB -1.173 40.944 42.059 0.096 0.000 0.896 258 L HN 0.725 nan 8.230 nan 0.000 0.432 259 N N 0.025 118.778 118.700 0.087 0.000 2.142 259 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 259 N C 1.701 177.234 175.510 0.038 0.000 1.023 259 N CA 1.646 54.728 53.050 0.053 0.000 0.852 259 N CB -0.179 38.324 38.487 0.027 0.000 0.998 259 N HN 0.554 nan 8.380 nan 0.000 0.424 260 E N 0.736 120.954 120.200 0.029 0.000 2.110 260 E HA -0.076 4.274 4.350 -0.000 0.000 0.193 260 E C 1.932 178.493 176.600 -0.066 0.000 0.988 260 E CA 1.095 57.458 56.400 -0.063 0.000 0.804 260 E CB -0.090 29.541 29.700 -0.114 0.000 0.745 260 E HN 0.339 nan 8.360 nan 0.000 0.458 261 A N 1.397 124.300 122.820 0.138 0.000 1.873 261 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 261 A C 2.220 180.028 177.584 0.372 0.000 1.186 261 A CA 1.069 53.316 52.037 0.350 0.000 0.616 261 A CB -0.584 18.711 19.000 0.492 0.000 0.823 261 A HN 0.128 nan 8.150 nan 0.000 0.442 262 I N -0.167 120.559 120.570 0.259 0.000 2.226 262 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 262 I C 2.963 179.091 176.117 0.020 0.000 1.100 262 I CA 0.982 62.334 61.300 0.087 0.000 1.374 262 I CB -0.418 37.596 38.000 0.023 0.000 1.057 262 I HN 0.354 nan 8.210 nan 0.000 0.413 263 A N 1.151 123.969 122.820 -0.003 0.000 1.883 263 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 263 A C 2.316 179.859 177.584 -0.069 0.000 1.186 263 A CA 1.538 53.546 52.037 -0.047 0.000 0.624 263 A CB -0.876 18.082 19.000 -0.071 0.000 0.822 263 A HN 0.391 nan 8.150 nan 0.000 0.444 264 L N -1.350 119.803 121.223 -0.117 0.000 2.156 264 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 264 L C 2.099 178.948 176.870 -0.035 0.000 1.095 264 L CA 1.071 55.809 54.840 -0.170 0.000 0.770 264 L CB -0.265 41.508 42.059 -0.477 0.000 0.914 264 L HN 0.527 nan 8.230 nan 0.000 0.439 265 C N -1.867 117.473 119.300 0.067 0.000 3.188 265 C HA 0.082 4.542 4.460 -0.000 0.000 0.315 265 C C 1.324 176.328 174.990 0.023 0.000 1.285 265 C CA -0.806 58.284 59.018 0.120 0.000 1.729 265 C CB -0.198 27.762 27.740 0.366 0.000 2.257 265 C HN 0.203 nan 8.230 nan 0.000 0.645 266 K N 1.351 121.737 120.400 -0.023 0.000 2.436 266 K HA 0.334 4.654 4.320 -0.000 0.000 0.282 266 K C 1.167 177.762 176.600 -0.009 0.000 1.044 266 K CA 1.219 57.475 56.287 -0.052 0.000 1.028 266 K CB -0.152 32.313 32.500 -0.059 0.000 0.919 266 K HN 0.539 nan 8.250 nan 0.000 0.474 267 G N 3.230 112.035 108.800 0.008 0.000 2.175 267 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.244 267 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.244 267 G C 0.263 175.240 174.900 0.129 0.000 0.982 267 G CA -0.039 45.097 45.100 0.060 0.000 0.641 267 G HN 0.639 nan 8.290 nan 0.000 0.527 268 Q N 0.410 120.236 119.800 0.043 0.000 2.201 268 Q HA 0.337 4.677 4.340 -0.000 0.000 0.217 268 Q C 2.076 178.003 176.000 -0.122 0.000 0.860 268 Q CA 0.542 56.289 55.803 -0.093 0.000 0.984 268 Q CB 0.349 29.031 28.738 -0.094 0.000 1.095 268 Q HN 0.581 nan 8.270 nan 0.000 0.477 269 G N 1.434 110.253 108.800 0.032 0.000 2.479 269 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.220 269 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.220 269 G C 1.246 176.175 174.900 0.048 0.000 1.115 269 G CA 1.054 46.184 45.100 0.049 0.000 0.757 269 G HN 0.548 nan 8.290 nan 0.000 0.560 270 H N -1.015 118.068 119.070 0.020 0.000 2.512 270 H HA 0.175 4.730 4.556 -0.000 0.000 0.279 270 H C 2.076 177.410 175.328 0.010 0.000 0.999 270 H CA 0.255 56.312 56.048 0.016 0.000 1.283 270 H CB -0.284 29.483 29.762 0.008 0.000 1.421 270 H HN 0.196 nan 8.280 nan 0.000 0.554 271 L N 2.037 122.952 121.223 -0.514 0.000 2.145 271 L HA 0.108 4.448 4.340 -0.000 0.000 0.201 271 L C 0.818 177.598 176.870 -0.150 0.000 1.075 271 L CA 0.783 55.429 54.840 -0.324 0.000 0.773 271 L CB -0.007 41.827 42.059 -0.374 0.000 0.936 271 L HN 0.237 nan 8.230 nan 0.000 0.451 272 V N -3.793 116.046 119.914 -0.125 0.000 2.555 272 V HA 0.719 4.839 4.120 -0.000 0.000 0.302 272 V C 1.024 177.085 176.094 -0.055 0.000 1.038 272 V CA -0.336 61.908 62.300 -0.094 0.000 0.887 272 V CB 1.000 32.777 31.823 -0.076 0.000 0.991 272 V HN 0.149 nan 8.190 nan 0.000 0.434 273 A N 3.809 126.572 122.820 -0.094 0.000 1.930 273 A HA 0.315 4.635 4.320 -0.000 0.000 0.217 273 A C 0.766 178.426 177.584 0.126 0.000 1.175 273 A CA 1.973 54.014 52.037 0.007 0.000 0.627 273 A CB -0.403 18.599 19.000 0.003 0.000 0.815 273 A HN 1.796 nan 8.150 nan 0.000 0.443 274 Y N -5.389 114.918 120.300 0.011 0.000 2.641 274 Y HA 0.637 5.187 4.550 -0.000 0.000 0.333 274 Y C -0.740 175.172 175.900 0.020 0.000 1.174 274 Y CA -1.569 56.547 58.100 0.026 0.000 1.057 274 Y CB 0.498 38.956 38.460 -0.002 0.000 1.322 274 Y HN 0.212 nan 8.280 nan 0.000 0.457 275 A N 1.811 124.788 122.820 0.261 0.000 2.258 275 A HA 0.529 4.849 4.320 -0.000 0.000 0.316 275 A C -0.722 176.911 177.584 0.083 0.000 1.279 275 A CA -0.607 51.499 52.037 0.115 0.000 0.876 275 A CB 0.644 19.731 19.000 0.144 0.000 1.170 275 A HN 0.743 nan 8.150 nan 0.000 0.520 276 E N 3.054 123.260 120.200 0.012 0.000 2.167 276 E HA 0.247 4.597 4.350 -0.000 0.000 0.284 276 E C -0.821 175.674 176.600 -0.174 0.000 1.016 276 E CA -0.485 55.900 56.400 -0.026 0.000 0.817 276 E CB 0.298 29.998 29.700 -0.000 0.000 1.080 276 E HN 0.644 nan 8.360 nan 0.000 0.397 277 D N 5.010 125.300 120.400 -0.185 0.000 2.740 277 D HA -0.150 4.490 4.640 -0.000 0.000 0.231 277 D C -1.803 174.289 176.300 -0.347 0.000 1.194 277 D CA 0.426 54.288 54.000 -0.230 0.000 0.673 277 D CB -0.363 40.325 40.800 -0.188 0.000 0.995 277 D HN 0.516 nan 8.370 nan 0.000 0.411 278 P HA -0.048 nan 4.420 nan 0.000 0.224 278 P C 0.677 177.765 177.300 -0.353 0.000 1.157 278 P CA 0.762 63.540 63.100 -0.537 0.000 0.799 278 P CB 0.221 31.562 31.700 -0.599 0.000 0.809 279 C N -2.893 116.249 119.300 -0.263 0.000 3.082 279 C HA 0.896 5.355 4.460 -0.000 0.000 0.324 279 C C 0.479 175.425 174.990 -0.074 0.000 1.210 279 C CA -0.652 58.308 59.018 -0.097 0.000 1.366 279 C CB 1.524 29.271 27.740 0.013 0.000 1.756 279 C HN 0.247 nan 8.230 nan 0.000 0.485 280 G N 0.639 109.422 108.800 -0.030 0.000 2.990 280 G HA2 0.844 4.804 3.960 -0.000 0.000 0.208 280 G HA3 0.844 4.804 3.960 -0.000 0.000 0.208 280 G C -3.068 171.850 174.900 0.030 0.000 1.334 280 G CA -1.452 43.642 45.100 -0.010 0.000 1.024 280 G HN 0.638 nan 8.290 nan 0.000 0.574 281 P HA 0.184 nan 4.420 nan 0.000 0.265 281 P C -0.699 176.646 177.300 0.075 0.000 1.187 281 P CA 0.572 63.711 63.100 0.065 0.000 0.766 281 P CB 0.472 32.200 31.700 0.047 0.000 0.820 282 E N 1.341 121.611 120.200 0.117 0.000 2.400 282 E HA 0.543 4.892 4.350 -0.000 0.000 0.285 282 E C -1.156 175.554 176.600 0.184 0.000 1.005 282 E CA -1.311 55.160 56.400 0.117 0.000 0.816 282 E CB 0.868 30.628 29.700 0.099 0.000 1.220 282 E HN 0.360 nan 8.360 nan 0.000 0.426 283 A N 1.580 124.472 122.820 0.121 0.000 2.610 283 A HA -0.022 4.298 4.320 -0.000 0.000 0.299 283 A C 1.366 178.958 177.584 0.014 0.000 1.487 283 A CA 1.709 53.814 52.037 0.113 0.000 0.743 283 A CB -2.408 16.710 19.000 0.198 0.000 1.070 283 A HN 2.337 nan 8.150 nan 0.000 0.439 284 G N -2.873 105.885 108.800 -0.069 0.000 2.212 284 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.266 284 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.266 284 G C 0.058 174.761 174.900 -0.329 0.000 0.978 284 G CA 0.966 45.929 45.100 -0.228 0.000 0.632 284 G HN 1.613 nan 8.290 nan 0.000 0.537 285 Y N 1.870 122.176 120.300 0.010 0.000 2.323 285 Y HA 0.566 5.116 4.550 -0.000 0.000 0.331 285 Y C 1.172 177.078 175.900 0.009 0.000 1.092 285 Y CA -0.237 57.870 58.100 0.012 0.000 1.150 285 Y CB 1.484 39.958 38.460 0.022 0.000 1.200 285 Y HN 0.351 nan 8.280 nan 0.000 0.472 286 S N 0.844 116.630 115.700 0.143 0.000 2.608 286 S HA 0.188 4.658 4.470 -0.000 0.000 0.261 286 S C 1.475 176.132 174.600 0.094 0.000 1.314 286 S CA -0.267 57.982 58.200 0.082 0.000 0.992 286 S CB 1.011 64.234 63.200 0.040 0.000 0.935 286 S HN 0.961 nan 8.310 nan 0.000 0.564 287 G N 0.933 109.770 108.800 0.061 0.000 2.442 287 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 287 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 287 G C 1.561 176.495 174.900 0.056 0.000 1.141 287 G CA 0.614 45.743 45.100 0.048 0.000 0.763 287 G HN 0.801 nan 8.290 nan 0.000 0.554 288 R N 0.428 120.969 120.500 0.067 0.000 2.081 288 R HA -0.018 4.322 4.340 -0.000 0.000 0.235 288 R C 2.584 178.941 176.300 0.095 0.000 1.131 288 R CA 1.516 57.666 56.100 0.084 0.000 0.960 288 R CB -0.310 30.052 30.300 0.103 0.000 0.856 288 R HN 0.476 nan 8.270 nan 0.000 0.436 289 E N 0.152 120.415 120.200 0.104 0.000 2.051 289 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 289 E C 2.031 178.669 176.600 0.065 0.000 0.991 289 E CA 1.456 57.920 56.400 0.108 0.000 0.799 289 E CB -0.063 29.746 29.700 0.181 0.000 0.748 289 E HN 0.098 nan 8.360 nan 0.000 0.449 290 V N 1.261 121.217 119.914 0.068 0.000 2.427 290 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 290 V C 2.237 178.384 176.094 0.087 0.000 1.051 290 V CA 1.338 63.664 62.300 0.043 0.000 1.048 290 V CB -0.301 31.557 31.823 0.058 0.000 0.666 290 V HN 0.341 nan 8.190 nan 0.000 0.456 291 M N -0.461 119.193 119.600 0.089 0.000 2.254 291 M HA -0.038 4.442 4.480 -0.000 0.000 0.265 291 M C 2.364 178.770 176.300 0.178 0.000 1.066 291 M CA 1.730 57.103 55.300 0.122 0.000 1.123 291 M CB -0.870 31.765 32.600 0.058 0.000 1.388 291 M HN 0.422 nan 8.290 nan 0.000 0.425 292 A N 0.406 123.305 122.820 0.132 0.000 1.969 292 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 292 A C 1.981 179.630 177.584 0.108 0.000 1.169 292 A CA 1.408 53.523 52.037 0.130 0.000 0.635 292 A CB -0.522 18.548 19.000 0.116 0.000 0.810 292 A HN 0.535 nan 8.150 nan 0.000 0.445 293 E N -1.299 118.953 120.200 0.087 0.000 2.072 293 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 293 E C 1.738 178.392 176.600 0.089 0.000 0.985 293 E CA 1.159 57.590 56.400 0.050 0.000 0.801 293 E CB -0.289 29.410 29.700 -0.003 0.000 0.750 293 E HN 0.707 nan 8.360 nan 0.000 0.452 294 F N 2.406 122.365 119.950 0.016 0.000 2.126 294 F HA -0.224 4.303 4.527 -0.000 0.000 0.299 294 F C 1.960 177.783 175.800 0.038 0.000 1.096 294 F CA 1.585 59.605 58.000 0.034 0.000 1.255 294 F CB 0.081 39.113 39.000 0.053 0.000 0.997 294 F HN -0.201 nan 8.300 nan 0.000 0.479 295 K N -0.087 120.393 120.400 0.134 0.000 2.097 295 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 295 K C 2.244 178.804 176.600 -0.066 0.000 1.049 295 K CA 1.528 57.834 56.287 0.032 0.000 0.933 295 K CB -0.204 32.379 32.500 0.138 0.000 0.717 295 K HN 0.316 nan 8.250 nan 0.000 0.442 296 R N 0.126 120.603 120.500 -0.039 0.000 2.090 296 R HA -0.022 4.318 4.340 -0.000 0.000 0.228 296 R C 2.283 178.528 176.300 -0.091 0.000 1.110 296 R CA 1.078 57.148 56.100 -0.050 0.000 0.973 296 R CB -0.185 30.099 30.300 -0.027 0.000 0.869 296 R HN 0.143 nan 8.270 nan 0.000 0.440 297 A N 0.424 123.166 122.820 -0.130 0.000 2.014 297 A HA -0.105 4.214 4.320 -0.000 0.000 0.218 297 A C 1.991 179.451 177.584 -0.208 0.000 1.163 297 A CA 1.778 53.727 52.037 -0.147 0.000 0.652 297 A CB -0.215 18.709 19.000 -0.126 0.000 0.808 297 A HN 0.472 nan 8.150 nan 0.000 0.449 298 T N -6.344 108.011 114.554 -0.332 0.000 2.959 298 T HA 0.402 4.751 4.350 -0.000 0.000 0.254 298 T C 1.514 176.092 174.700 -0.204 0.000 1.003 298 T CA 1.122 63.017 62.100 -0.342 0.000 0.950 298 T CB 0.063 68.526 68.868 -0.674 0.000 1.090 298 T HN 1.575 nan 8.240 nan 0.000 0.503 299 G N 2.170 110.874 108.800 -0.160 0.000 2.186 299 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.266 299 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.266 299 G C 0.114 175.002 174.900 -0.020 0.000 0.982 299 G CA 0.404 45.466 45.100 -0.063 0.000 0.670 299 G HN 0.598 nan 8.290 nan 0.000 0.533 300 I N 1.381 121.927 120.570 -0.040 0.000 2.529 300 I HA 0.264 4.434 4.170 -0.000 0.000 0.284 300 I C -1.673 174.546 176.117 0.170 0.000 1.082 300 I CA -3.011 58.341 61.300 0.085 0.000 1.406 300 I CB 0.468 38.563 38.000 0.158 0.000 1.405 300 I HN -0.136 nan 8.210 nan 0.000 0.548 301 P HA 0.134 nan 4.420 nan 0.000 0.271 301 P C -0.347 177.086 177.300 0.222 0.000 1.218 301 P CA -0.062 63.139 63.100 0.168 0.000 0.780 301 P CB 0.418 32.203 31.700 0.141 0.000 0.901 302 T N -0.580 114.066 114.554 0.155 0.000 2.888 302 T HA 0.823 5.172 4.350 -0.000 0.000 0.284 302 T C -0.528 174.160 174.700 -0.021 0.000 1.017 302 T CA -0.854 61.316 62.100 0.117 0.000 1.022 302 T CB 1.692 70.630 68.868 0.117 0.000 1.013 302 T HN 0.386 nan 8.240 nan 0.000 0.465 303 A N 1.326 124.122 122.820 -0.041 0.000 2.386 303 A HA 0.937 5.257 4.320 -0.000 0.000 0.308 303 A C -0.100 177.420 177.584 -0.107 0.000 1.128 303 A CA -0.930 51.012 52.037 -0.160 0.000 0.789 303 A CB 1.981 20.803 19.000 -0.296 0.000 1.325 303 A HN 1.091 nan 8.150 nan 0.000 0.437 304 T N 0.036 114.512 114.554 -0.130 0.000 2.932 304 T HA 0.459 4.808 4.350 -0.000 0.000 0.318 304 T C -0.971 173.652 174.700 -0.127 0.000 1.265 304 T CA -0.238 61.793 62.100 -0.114 0.000 1.036 304 T CB 0.814 69.638 68.868 -0.074 0.000 1.209 304 T HN 0.888 nan 8.240 nan 0.000 0.484 305 N N 3.495 122.090 118.700 -0.174 0.000 2.377 305 N HA 0.198 4.938 4.740 -0.000 0.000 0.259 305 N C 0.389 175.779 175.510 -0.200 0.000 1.332 305 N CA -0.355 52.556 53.050 -0.232 0.000 0.877 305 N CB 0.607 38.692 38.487 -0.670 0.000 1.299 305 N HN 0.485 nan 8.380 nan 0.000 0.501 306 M N 0.113 119.641 119.600 -0.119 0.000 2.312 306 M HA 0.299 4.779 4.480 -0.000 0.000 0.260 306 M C 1.549 177.824 176.300 -0.042 0.000 1.253 306 M CA 0.313 55.557 55.300 -0.093 0.000 1.114 306 M CB 0.607 33.152 32.600 -0.093 0.000 1.660 306 M HN 0.140 nan 8.290 nan 0.000 0.581 307 I N -2.453 118.105 120.570 -0.021 0.000 4.139 307 I HA 0.504 4.674 4.170 -0.000 0.000 0.335 307 I C 0.414 176.560 176.117 0.048 0.000 1.327 307 I CA -0.090 61.218 61.300 0.013 0.000 1.112 307 I CB 0.557 38.566 38.000 0.014 0.000 1.058 307 I HN 0.019 nan 8.210 nan 0.000 0.396 308 A N 1.710 124.566 122.820 0.060 0.000 3.370 308 A HA 0.452 4.772 4.320 -0.000 0.000 0.295 308 A C 0.643 178.370 177.584 0.238 0.000 1.030 308 A CA 0.106 52.217 52.037 0.124 0.000 0.883 308 A CB -0.529 18.531 19.000 0.099 0.000 1.191 308 A HN 0.378 nan 8.150 nan 0.000 0.507 309 T N -2.842 111.786 114.554 0.123 0.000 3.054 309 T HA 0.368 4.718 4.350 -0.000 0.000 0.255 309 T C 0.104 174.520 174.700 -0.474 0.000 1.035 309 T CA 0.647 62.770 62.100 0.038 0.000 0.941 309 T CB -0.333 68.495 68.868 -0.066 0.000 1.026 309 T HN 0.608 nan 8.240 nan 0.000 0.533 310 D N -1.630 118.531 120.400 -0.398 0.000 2.643 310 D HA 0.253 4.893 4.640 -0.000 0.000 0.283 310 D C 0.008 176.198 176.300 -0.183 0.000 1.242 310 D CA -1.182 52.390 54.000 -0.713 0.000 0.863 310 D CB -0.045 40.544 40.800 -0.353 0.000 1.382 310 D HN 0.028 nan 8.370 nan 0.000 0.444 311 W N -0.109 121.195 121.300 0.007 0.000 2.374 311 W HA 0.050 4.710 4.660 -0.000 0.000 0.288 311 W C 2.567 179.156 176.519 0.116 0.000 1.218 311 W CA 0.970 58.431 57.345 0.192 0.000 1.245 311 W CB 0.010 29.568 29.460 0.163 0.000 1.126 311 W HN 0.411 nan 8.180 nan 0.000 0.545 312 R N 0.674 121.335 120.500 0.269 0.000 2.062 312 R HA -0.184 4.156 4.340 -0.000 0.000 0.231 312 R C 2.041 178.456 176.300 0.191 0.000 1.136 312 R CA 1.874 58.085 56.100 0.185 0.000 0.948 312 R CB -0.529 29.866 30.300 0.157 0.000 0.845 312 R HN 0.223 nan 8.270 nan 0.000 0.430 313 Q N 0.009 119.923 119.800 0.189 0.000 2.096 313 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 313 Q C 2.130 178.249 176.000 0.198 0.000 0.982 313 Q CA 2.004 57.930 55.803 0.205 0.000 0.850 313 Q CB -0.219 28.596 28.738 0.128 0.000 0.901 313 Q HN 0.287 nan 8.270 nan 0.000 0.422 314 M N 0.682 120.396 119.600 0.189 0.000 2.108 314 M HA -0.102 4.378 4.480 -0.000 0.000 0.261 314 M C 1.960 178.367 176.300 0.178 0.000 1.066 314 M CA 2.084 57.488 55.300 0.174 0.000 1.107 314 M CB -0.834 31.858 32.600 0.153 0.000 1.356 314 M HN 0.219 nan 8.290 nan 0.000 0.406 315 G N -0.604 108.300 108.800 0.174 0.000 2.513 315 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.219 315 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.219 315 G C 1.485 176.392 174.900 0.012 0.000 1.160 315 G CA 1.477 46.623 45.100 0.077 0.000 0.767 315 G HN 0.607 nan 8.290 nan 0.000 0.571 316 H N 0.597 119.750 119.070 0.139 0.000 2.395 316 H HA 0.104 4.660 4.556 -0.000 0.000 0.299 316 H C 2.968 178.359 175.328 0.105 0.000 1.070 316 H CA 1.095 57.211 56.048 0.112 0.000 1.356 316 H CB -0.512 29.308 29.762 0.098 0.000 1.401 316 H HN 0.400 nan 8.280 nan 0.000 0.524 317 A N 0.804 123.750 122.820 0.210 0.000 1.902 317 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 317 A C 2.828 180.474 177.584 0.103 0.000 1.181 317 A CA 1.649 53.770 52.037 0.140 0.000 0.623 317 A CB -0.894 18.172 19.000 0.109 0.000 0.818 317 A HN 0.208 nan 8.150 nan 0.000 0.443 318 V N -0.369 119.607 119.914 0.103 0.000 2.343 318 V HA -0.263 3.856 4.120 -0.000 0.000 0.247 318 V C 2.743 178.862 176.094 0.042 0.000 1.051 318 V CA 2.354 64.687 62.300 0.056 0.000 1.036 318 V CB -0.660 31.260 31.823 0.162 0.000 0.654 318 V HN 0.672 nan 8.190 nan 0.000 0.451 319 Q N -0.073 119.794 119.800 0.113 0.000 2.124 319 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 319 Q C 1.891 178.010 176.000 0.199 0.000 0.977 319 Q CA 1.781 57.669 55.803 0.142 0.000 0.850 319 Q CB -0.360 28.463 28.738 0.142 0.000 0.901 319 Q HN 0.625 nan 8.270 nan 0.000 0.429 320 L N -0.763 120.572 121.223 0.187 0.000 2.554 320 L HA 0.029 4.369 4.340 -0.000 0.000 0.226 320 L C -0.073 176.948 176.870 0.253 0.000 1.137 320 L CA 0.140 55.094 54.840 0.189 0.000 0.863 320 L CB -0.239 41.914 42.059 0.156 0.000 0.985 320 L HN 0.426 nan 8.230 nan 0.000 0.451 321 H N -0.899 118.214 119.070 0.072 0.000 2.677 321 H HA -0.196 4.360 4.556 -0.000 0.000 0.321 321 H C 1.180 176.552 175.328 0.073 0.000 1.171 321 H CA 0.302 56.389 56.048 0.065 0.000 1.139 321 H CB -0.657 29.133 29.762 0.047 0.000 1.515 321 H HN 0.516 nan 8.280 nan 0.000 0.423 322 A N 0.304 123.197 122.820 0.121 0.000 2.147 322 A HA 0.340 4.660 4.320 -0.000 0.000 0.211 322 A C 0.969 178.601 177.584 0.080 0.000 1.160 322 A CA 0.784 52.887 52.037 0.110 0.000 0.781 322 A CB 0.995 20.054 19.000 0.099 0.000 0.842 322 A HN 0.102 nan 8.150 nan 0.000 0.475 323 V N 0.712 120.653 119.914 0.044 0.000 2.612 323 V HA 0.220 4.340 4.120 -0.000 0.000 0.301 323 V C -0.582 175.503 176.094 -0.016 0.000 1.059 323 V CA -0.648 61.657 62.300 0.008 0.000 0.886 323 V CB 1.804 33.621 31.823 -0.009 0.000 1.007 323 V HN 0.408 nan 8.190 nan 0.000 0.426 324 D N 3.631 124.018 120.400 -0.022 0.000 2.327 324 D HA 0.220 4.860 4.640 -0.000 0.000 0.205 324 D C 0.333 176.574 176.300 -0.098 0.000 0.989 324 D CA 1.178 55.156 54.000 -0.036 0.000 0.873 324 D CB 1.303 42.097 40.800 -0.010 0.000 0.955 324 D HN 0.418 nan 8.370 nan 0.000 0.515 325 I N 1.995 122.467 120.570 -0.164 0.000 2.649 325 I HA 0.170 4.340 4.170 -0.000 0.000 0.275 325 I C -2.724 173.241 176.117 -0.255 0.000 1.153 325 I CA -1.911 59.232 61.300 -0.262 0.000 1.069 325 I CB 2.426 40.134 38.000 -0.486 0.000 1.227 325 I HN -0.389 nan 8.210 nan 0.000 0.505 326 P HA 0.126 nan 4.420 nan 0.000 0.266 326 P C -0.544 176.540 177.300 -0.360 0.000 1.215 326 P CA 0.146 63.101 63.100 -0.241 0.000 0.763 326 P CB 0.423 31.969 31.700 -0.256 0.000 0.806 327 L N 2.970 124.022 121.223 -0.284 0.000 2.302 327 L HA 0.437 4.777 4.340 -0.000 0.000 0.285 327 L C 0.762 177.509 176.870 -0.205 0.000 1.090 327 L CA -0.557 54.102 54.840 -0.302 0.000 0.866 327 L CB 0.414 42.385 42.059 -0.146 0.000 1.244 327 L HN 0.333 nan 8.230 nan 0.000 0.435 328 A N 2.199 124.723 122.820 -0.494 0.000 3.000 328 A HA 0.159 4.479 4.320 -0.000 0.000 0.315 328 A C -0.031 177.496 177.584 -0.095 0.000 1.434 328 A CA -0.565 51.127 52.037 -0.576 0.000 1.108 328 A CB -0.229 18.220 19.000 -0.918 0.000 1.171 328 A HN 0.629 nan 8.150 nan 0.000 0.524 329 D N 3.007 123.524 120.400 0.195 0.000 2.451 329 D HA 0.068 4.708 4.640 -0.000 0.000 0.254 329 D C -1.428 175.145 176.300 0.455 0.000 1.204 329 D CA -1.438 52.717 54.000 0.258 0.000 0.896 329 D CB 1.074 41.871 40.800 -0.005 0.000 1.136 329 D HN 0.188 nan 8.370 nan 0.000 0.499 330 P HA -0.133 nan 4.420 nan 0.000 0.219 330 P C 0.653 178.001 177.300 0.080 0.000 1.146 330 P CA 1.255 64.469 63.100 0.189 0.000 0.808 330 P CB 0.083 31.801 31.700 0.029 0.000 0.779 331 H N -2.447 116.725 119.070 0.170 0.000 2.387 331 H HA -0.050 4.506 4.556 -0.000 0.000 0.299 331 H C 1.276 176.524 175.328 -0.134 0.000 1.090 331 H CA 1.365 57.399 56.048 -0.024 0.000 1.332 331 H CB -0.682 29.042 29.762 -0.064 0.000 1.386 331 H HN 0.190 nan 8.280 nan 0.000 0.516 332 F N -3.042 117.053 119.950 0.241 0.000 2.717 332 F HA 0.106 4.632 4.527 -0.000 0.000 0.295 332 F C 0.799 176.604 175.800 0.009 0.000 1.117 332 F CA -0.169 57.901 58.000 0.116 0.000 1.361 332 F CB 0.343 39.406 39.000 0.105 0.000 1.112 332 F HN 0.105 nan 8.300 nan 0.000 0.594 333 W N 1.021 122.456 121.300 0.226 0.000 3.220 333 W HA 0.239 4.899 4.660 -0.000 0.000 0.328 333 W C 0.764 177.362 176.519 0.132 0.000 1.205 333 W CA 0.681 58.121 57.345 0.159 0.000 1.773 333 W CB -0.378 29.160 29.460 0.130 0.000 1.086 333 W HN -0.027 nan 8.180 nan 0.000 0.622 334 T N -2.667 112.040 114.554 0.255 0.000 0.541 334 T HA -0.384 3.966 4.350 -0.000 0.000 0.774 334 T C 0.659 175.456 174.700 0.161 0.000 0.992 334 T CA 0.969 63.162 62.100 0.155 0.000 4.077 334 T CB -0.573 68.370 68.868 0.124 0.000 2.303 334 T HN 0.181 nan 8.240 nan 0.000 0.398 335 M N 1.358 121.001 119.600 0.072 0.000 2.099 335 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 335 M C 2.808 179.155 176.300 0.079 0.000 1.067 335 M CA 2.260 57.595 55.300 0.058 0.000 1.124 335 M CB -0.483 32.117 32.600 0.000 0.000 1.353 335 M HN 0.702 nan 8.290 nan 0.000 0.410 336 Q N -0.098 119.748 119.800 0.076 0.000 2.167 336 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 336 Q C 2.211 178.296 176.000 0.141 0.000 0.970 336 Q CA 1.476 57.323 55.803 0.074 0.000 0.855 336 Q CB -0.416 28.356 28.738 0.056 0.000 0.911 336 Q HN 0.694 nan 8.270 nan 0.000 0.438 337 G N 0.490 109.430 108.800 0.233 0.000 2.394 337 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.215 337 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.215 337 G C 1.491 176.605 174.900 0.356 0.000 1.165 337 G CA 0.854 46.201 45.100 0.412 0.000 0.784 337 G HN 0.339 nan 8.290 nan 0.000 0.535 338 S N -0.231 115.625 115.700 0.259 0.000 2.368 338 S HA -0.111 4.359 4.470 -0.000 0.000 0.225 338 S C 2.492 177.091 174.600 -0.002 0.000 1.030 338 S CA 1.522 59.803 58.200 0.135 0.000 0.999 338 S CB -0.277 63.078 63.200 0.259 0.000 0.844 338 S HN 0.104 nan 8.310 nan 0.000 0.459 339 V N 1.598 121.484 119.914 -0.046 0.000 2.490 339 V HA -0.080 4.040 4.120 -0.000 0.000 0.250 339 V C 2.609 178.618 176.094 -0.142 0.000 1.061 339 V CA 1.988 64.162 62.300 -0.209 0.000 1.064 339 V CB -0.713 31.024 31.823 -0.144 0.000 0.670 339 V HN 0.425 nan 8.190 nan 0.000 0.461 340 R N -0.287 120.234 120.500 0.035 0.000 2.092 340 R HA -0.101 4.239 4.340 -0.000 0.000 0.231 340 R C 2.184 178.595 176.300 0.185 0.000 1.119 340 R CA 1.176 57.353 56.100 0.129 0.000 0.970 340 R CB -0.213 30.242 30.300 0.259 0.000 0.864 340 R HN 0.413 nan 8.270 nan 0.000 0.440 341 V N 0.657 120.632 119.914 0.101 0.000 2.343 341 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 341 V C 2.353 178.383 176.094 -0.107 0.000 1.051 341 V CA 1.968 64.195 62.300 -0.121 0.000 1.036 341 V CB -0.642 30.899 31.823 -0.469 0.000 0.654 341 V HN 0.487 nan 8.190 nan 0.000 0.451 342 A N -0.848 121.797 122.820 -0.291 0.000 1.930 342 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 342 A C 2.191 179.619 177.584 -0.261 0.000 1.175 342 A CA 1.640 53.385 52.037 -0.487 0.000 0.627 342 A CB -0.402 17.874 19.000 -1.207 0.000 0.815 342 A HN 0.615 nan 8.150 nan 0.000 0.443 343 Q N -1.071 118.596 119.800 -0.222 0.000 2.084 343 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 343 Q C 2.079 177.970 176.000 -0.181 0.000 0.978 343 Q CA 1.433 57.134 55.803 -0.170 0.000 0.844 343 Q CB -0.320 28.333 28.738 -0.141 0.000 0.898 343 Q HN 0.562 nan 8.270 nan 0.000 0.426 344 L N 0.300 121.406 121.223 -0.195 0.000 2.046 344 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 344 L C 2.208 178.908 176.870 -0.283 0.000 1.077 344 L CA 1.622 56.242 54.840 -0.367 0.000 0.747 344 L CB -0.575 41.306 42.059 -0.297 0.000 0.896 344 L HN 0.299 nan 8.230 nan 0.000 0.432 345 C N -0.407 118.822 119.300 -0.118 0.000 2.413 345 C HA -0.193 4.267 4.460 -0.000 0.000 0.276 345 C C 2.518 177.513 174.990 0.007 0.000 1.236 345 C CA 1.135 60.146 59.018 -0.012 0.000 1.735 345 C CB -1.093 26.671 27.740 0.040 0.000 2.031 345 C HN 0.685 nan 8.230 nan 0.000 0.474 346 D N 0.435 120.813 120.400 -0.037 0.000 2.117 346 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 346 D C 2.187 178.497 176.300 0.016 0.000 0.987 346 D CA 1.313 55.304 54.000 -0.015 0.000 0.829 346 D CB -0.195 40.575 40.800 -0.051 0.000 0.961 346 D HN 0.436 nan 8.370 nan 0.000 0.460 347 E N -0.788 119.394 120.200 -0.031 0.000 2.150 347 E HA -0.125 4.224 4.350 -0.000 0.000 0.193 347 E C 1.243 178.022 176.600 0.299 0.000 0.985 347 E CA 0.649 57.074 56.400 0.043 0.000 0.814 347 E CB -0.246 29.379 29.700 -0.125 0.000 0.752 347 E HN 0.565 nan 8.360 nan 0.000 0.466 348 W N 0.118 121.428 121.300 0.018 0.000 3.123 348 W HA 0.366 5.026 4.660 -0.000 0.000 0.383 348 W C 1.081 177.608 176.519 0.014 0.000 1.102 348 W CA 0.171 57.526 57.345 0.018 0.000 1.865 348 W CB 0.069 29.539 29.460 0.017 0.000 1.111 348 W HN 0.187 nan 8.180 nan 0.000 0.621 349 G N 0.592 109.514 108.800 0.203 0.000 2.143 349 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.249 349 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.249 349 G C 0.303 175.263 174.900 0.100 0.000 0.981 349 G CA 0.226 45.402 45.100 0.126 0.000 0.665 349 G HN 0.181 nan 8.290 nan 0.000 0.528 350 L N -0.451 120.837 121.223 0.108 0.000 2.642 350 L HA 0.718 5.058 4.340 -0.000 0.000 0.229 350 L C 0.651 177.544 176.870 0.039 0.000 1.179 350 L CA -0.385 54.490 54.840 0.060 0.000 0.834 350 L CB 0.987 43.081 42.059 0.058 0.000 1.515 350 L HN 0.092 nan 8.230 nan 0.000 0.512 351 T N -0.610 113.946 114.554 0.004 0.000 2.985 351 T HA 0.171 4.521 4.350 -0.000 0.000 0.315 351 T C -1.076 173.622 174.700 -0.004 0.000 1.001 351 T CA -0.373 61.730 62.100 0.004 0.000 1.016 351 T CB 0.567 69.407 68.868 -0.046 0.000 0.993 351 T HN 0.423 nan 8.240 nan 0.000 0.454 352 W N 3.612 124.829 121.300 -0.138 0.000 2.190 352 W HA 0.553 5.213 4.660 -0.000 0.000 0.330 352 W C 0.369 176.787 176.519 -0.168 0.000 1.299 352 W CA 0.523 57.765 57.345 -0.172 0.000 1.215 352 W CB 0.469 29.832 29.460 -0.161 0.000 1.147 352 W HN 0.792 nan 8.180 nan 0.000 0.563 353 G N 2.176 110.370 108.800 -1.009 0.000 2.921 353 G HA2 0.575 4.535 3.960 -0.000 0.000 0.291 353 G HA3 0.575 4.535 3.960 -0.000 0.000 0.291 353 G C -1.662 172.281 174.900 -1.595 0.000 1.370 353 G CA -0.751 43.691 45.100 -1.095 0.000 0.847 353 G HN 0.583 nan 8.290 nan 0.000 0.532 354 S N -1.225 113.885 115.700 -0.983 0.000 2.541 354 S HA 0.618 5.088 4.470 -0.000 0.000 0.271 354 S C -0.931 173.467 174.600 -0.337 0.000 1.133 354 S CA -0.749 57.051 58.200 -0.667 0.000 0.876 354 S CB 1.221 64.064 63.200 -0.594 0.000 1.105 354 S HN 1.073 nan 8.310 nan 0.000 0.470 355 H N 0.795 119.751 119.070 -0.189 0.000 2.754 355 H HA 0.875 5.431 4.556 -0.000 0.000 0.352 355 H C -0.593 174.809 175.328 0.124 0.000 1.213 355 H CA -0.371 55.645 56.048 -0.053 0.000 1.244 355 H CB 1.514 31.276 29.762 0.000 0.000 1.843 355 H HN 0.779 nan 8.280 nan 0.000 0.587 356 S N 1.169 117.029 115.700 0.266 0.000 2.643 356 S HA 0.448 4.917 4.470 -0.000 0.000 0.270 356 S C -1.402 173.517 174.600 0.532 0.000 1.166 356 S CA -1.118 57.317 58.200 0.392 0.000 0.815 356 S CB 2.184 65.619 63.200 0.392 0.000 1.139 356 S HN 0.812 nan 8.310 nan 0.000 0.472 357 N N 0.220 119.103 118.700 0.305 0.000 2.405 357 N HA 0.410 5.149 4.740 -0.000 0.000 0.285 357 N C -1.584 173.716 175.510 -0.350 0.000 1.262 357 N CA -0.748 52.195 53.050 -0.179 0.000 0.773 357 N CB 1.264 39.753 38.487 0.003 0.000 1.490 357 N HN 0.752 nan 8.380 nan 0.000 0.486 358 N N 0.426 118.666 118.700 -0.766 0.000 2.294 358 N HA -0.027 4.713 4.740 -0.000 0.000 0.263 358 N C -0.474 174.829 175.510 -0.344 0.000 1.281 358 N CA 0.926 53.577 53.050 -0.665 0.000 0.846 358 N CB 0.027 37.827 38.487 -1.144 0.000 1.061 358 N HN 0.537 nan 8.380 nan 0.000 0.478 359 H N -0.458 118.504 119.070 -0.181 0.000 2.959 359 H HA 0.622 5.178 4.556 -0.000 0.000 0.296 359 H C -1.201 174.201 175.328 0.124 0.000 1.421 359 H CA -1.027 55.064 56.048 0.072 0.000 1.206 359 H CB 0.595 30.460 29.762 0.172 0.000 1.891 359 H HN 0.256 nan 8.280 nan 0.000 0.573 360 F N -0.193 120.070 119.950 0.521 0.000 2.544 360 F HA 0.189 4.716 4.527 -0.000 0.000 0.378 360 F C 1.224 177.103 175.800 0.131 0.000 1.112 360 F CA -0.560 57.697 58.000 0.429 0.000 1.115 360 F CB 0.761 39.954 39.000 0.321 0.000 1.436 360 F HN 0.772 nan 8.300 nan 0.000 0.496 361 D N -0.611 119.869 120.400 0.133 0.000 2.347 361 D HA -0.058 4.582 4.640 -0.000 0.000 0.215 361 D C 1.671 177.953 176.300 -0.030 0.000 0.976 361 D CA 0.753 54.614 54.000 -0.232 0.000 0.884 361 D CB -0.818 39.896 40.800 -0.143 0.000 0.915 361 D HN 0.192 nan 8.370 nan 0.000 0.526 362 V N 0.728 120.697 119.914 0.093 0.000 2.323 362 V HA -0.189 3.931 4.120 -0.000 0.000 0.244 362 V C 2.593 178.690 176.094 0.005 0.000 1.041 362 V CA 1.619 63.948 62.300 0.049 0.000 1.025 362 V CB -0.709 31.146 31.823 0.054 0.000 0.656 362 V HN 0.184 nan 8.190 nan 0.000 0.451 363 S N 0.132 115.857 115.700 0.042 0.000 2.419 363 S HA -0.177 4.293 4.470 -0.000 0.000 0.235 363 S C 1.860 176.254 174.600 -0.342 0.000 1.019 363 S CA 1.541 59.633 58.200 -0.179 0.000 0.982 363 S CB -0.403 62.702 63.200 -0.158 0.000 0.789 363 S HN 0.423 nan 8.310 nan 0.000 0.490 364 L N 1.851 123.037 121.223 -0.062 0.000 2.017 364 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 364 L C 2.327 179.215 176.870 0.031 0.000 1.073 364 L CA 1.991 56.849 54.840 0.030 0.000 0.745 364 L CB -1.012 40.911 42.059 -0.226 0.000 0.894 364 L HN 0.248 nan 8.230 nan 0.000 0.432 365 A N -1.047 121.771 122.820 -0.003 0.000 1.969 365 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 365 A C 2.236 179.908 177.584 0.147 0.000 1.169 365 A CA 1.865 53.951 52.037 0.082 0.000 0.635 365 A CB -0.501 18.558 19.000 0.098 0.000 0.810 365 A HN 0.531 nan 8.150 nan 0.000 0.445 366 M N -1.703 117.889 119.600 -0.014 0.000 2.067 366 M HA -0.084 4.396 4.480 -0.000 0.000 0.260 366 M C 1.949 178.247 176.300 -0.002 0.000 1.069 366 M CA 1.532 56.784 55.300 -0.081 0.000 1.117 366 M CB -0.533 31.890 32.600 -0.295 0.000 1.334 366 M HN 0.405 nan 8.290 nan 0.000 0.407 367 F N 0.690 120.635 119.950 -0.008 0.000 2.091 367 F HA -0.225 4.302 4.527 -0.000 0.000 0.299 367 F C 2.740 178.575 175.800 0.058 0.000 1.103 367 F CA 1.634 59.648 58.000 0.022 0.000 1.228 367 F CB -1.662 37.340 39.000 0.003 0.000 0.984 367 F HN 0.155 nan 8.300 nan 0.000 0.477 368 T N -1.614 113.078 114.554 0.229 0.000 2.746 368 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 368 T C 1.849 176.541 174.700 -0.014 0.000 1.039 368 T CA 1.527 63.672 62.100 0.074 0.000 1.142 368 T CB -0.383 68.472 68.868 -0.021 0.000 0.866 368 T HN 0.339 nan 8.240 nan 0.000 0.444 369 H N 0.080 119.183 119.070 0.054 0.000 2.428 369 H HA 0.074 4.630 4.556 -0.000 0.000 0.296 369 H C 2.458 177.791 175.328 0.008 0.000 1.062 369 H CA 0.894 56.953 56.048 0.018 0.000 1.350 369 H CB -0.284 29.477 29.762 -0.003 0.000 1.403 369 H HN 0.192 nan 8.280 nan 0.000 0.533 370 V N 1.183 121.191 119.914 0.156 0.000 2.261 370 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 370 V C 2.840 178.919 176.094 -0.025 0.000 1.047 370 V CA 1.639 63.990 62.300 0.084 0.000 1.015 370 V CB -0.967 30.970 31.823 0.189 0.000 0.642 370 V HN 0.445 nan 8.190 nan 0.000 0.446 371 A N -0.073 122.811 122.820 0.107 0.000 1.978 371 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 371 A C 2.391 179.943 177.584 -0.054 0.000 1.170 371 A CA 2.006 54.078 52.037 0.058 0.000 0.636 371 A CB -0.752 18.390 19.000 0.236 0.000 0.810 371 A HN 0.603 nan 8.150 nan 0.000 0.448 372 A N -0.530 122.272 122.820 -0.030 0.000 1.978 372 A HA 0.176 4.496 4.320 -0.000 0.000 0.220 372 A C 2.182 179.723 177.584 -0.073 0.000 1.170 372 A CA 1.929 53.938 52.037 -0.047 0.000 0.636 372 A CB -0.584 18.384 19.000 -0.054 0.000 0.810 372 A HN 1.141 nan 8.150 nan 0.000 0.448 373 A N -1.276 121.478 122.820 -0.110 0.000 2.348 373 A HA 0.647 4.967 4.320 -0.000 0.000 0.224 373 A C 1.104 178.543 177.584 -0.243 0.000 1.227 373 A CA 0.582 52.536 52.037 -0.137 0.000 0.885 373 A CB -0.475 18.464 19.000 -0.101 0.000 0.933 373 A HN 0.902 nan 8.150 nan 0.000 0.506 374 A N 1.758 124.357 122.820 -0.369 0.000 2.404 374 A HA 0.583 4.903 4.320 -0.000 0.000 0.273 374 A C -2.624 174.794 177.584 -0.276 0.000 1.144 374 A CA -1.266 50.457 52.037 -0.523 0.000 0.806 374 A CB -0.181 18.232 19.000 -0.978 0.000 1.080 374 A HN 0.217 nan 8.150 nan 0.000 0.509 375 P HA 0.469 nan 4.420 nan 0.000 0.274 375 P C 0.956 178.209 177.300 -0.078 0.000 1.231 375 P CA 1.279 64.306 63.100 -0.121 0.000 0.790 375 P CB 0.887 32.521 31.700 -0.109 0.000 0.951 376 G N 2.355 111.131 108.800 -0.039 0.000 2.539 376 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.256 376 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.256 376 G C -0.717 174.191 174.900 0.013 0.000 1.233 376 G CA -0.442 44.653 45.100 -0.009 0.000 0.936 376 G HN 0.660 nan 8.290 nan 0.000 0.571 377 N N 1.187 119.904 118.700 0.028 0.000 2.420 377 N HA 0.524 5.264 4.740 -0.000 0.000 0.249 377 N C 0.501 176.049 175.510 0.064 0.000 1.033 377 N CA 0.037 53.113 53.050 0.043 0.000 0.944 377 N CB 0.802 39.313 38.487 0.040 0.000 1.113 377 N HN 0.746 nan 8.380 nan 0.000 0.502 378 I N -1.824 118.799 120.570 0.089 0.000 2.822 378 I HA 0.578 4.748 4.170 -0.000 0.000 0.312 378 I C 0.360 176.521 176.117 0.075 0.000 1.011 378 I CA -0.782 60.606 61.300 0.148 0.000 1.105 378 I CB 1.823 39.999 38.000 0.294 0.000 1.291 378 I HN 0.161 nan 8.210 nan 0.000 0.474 379 T N 1.924 116.489 114.554 0.019 0.000 2.902 379 T HA 0.614 4.964 4.350 -0.000 0.000 0.280 379 T C 0.127 174.790 174.700 -0.063 0.000 0.992 379 T CA -0.293 61.784 62.100 -0.038 0.000 1.015 379 T CB 0.969 69.769 68.868 -0.112 0.000 1.044 379 T HN 0.864 nan 8.240 nan 0.000 0.520 380 A N 3.405 126.183 122.820 -0.070 0.000 2.546 380 A HA 0.377 4.697 4.320 -0.000 0.000 0.243 380 A C 0.536 178.018 177.584 -0.171 0.000 1.063 380 A CA -0.264 51.701 52.037 -0.121 0.000 0.757 380 A CB -0.654 18.262 19.000 -0.141 0.000 0.991 380 A HN 0.907 nan 8.150 nan 0.000 0.503 381 I N 0.690 121.150 120.570 -0.183 0.000 2.428 381 I HA 0.392 4.562 4.170 -0.000 0.000 0.289 381 I C -0.741 175.214 176.117 -0.270 0.000 1.019 381 I CA -0.774 60.366 61.300 -0.267 0.000 1.351 381 I CB 0.848 38.695 38.000 -0.254 0.000 1.412 381 I HN 0.519 nan 8.210 nan 0.000 0.513 382 D N 4.269 124.481 120.400 -0.312 0.000 2.423 382 D HA 0.287 4.927 4.640 -0.000 0.000 0.238 382 D C -0.105 176.088 176.300 -0.177 0.000 1.142 382 D CA 0.526 54.371 54.000 -0.259 0.000 0.884 382 D CB 1.032 41.710 40.800 -0.204 0.000 1.199 382 D HN 0.707 nan 8.370 nan 0.000 0.438 383 T N 0.255 114.841 114.554 0.053 0.000 2.982 383 T HA 0.237 4.587 4.350 -0.000 0.000 0.321 383 T C -0.397 174.581 174.700 0.463 0.000 1.229 383 T CA -0.591 61.693 62.100 0.308 0.000 1.044 383 T CB 0.701 69.760 68.868 0.318 0.000 1.184 383 T HN 0.365 nan 8.240 nan 0.000 0.477 384 H N 2.426 121.814 119.070 0.530 0.000 2.539 384 H HA 0.267 4.823 4.556 -0.000 0.000 0.269 384 H C 1.403 176.898 175.328 0.278 0.000 0.980 384 H CA 0.183 56.460 56.048 0.382 0.000 1.152 384 H CB 0.233 30.100 29.762 0.174 0.000 1.407 384 H HN 0.608 nan 8.280 nan 0.000 0.564 385 W N 1.824 123.183 121.300 0.098 0.000 2.342 385 W HA -0.211 4.448 4.660 -0.000 0.000 0.297 385 W C 1.518 178.023 176.519 -0.023 0.000 1.213 385 W CA 1.589 58.902 57.345 -0.054 0.000 1.251 385 W CB -0.014 29.478 29.460 0.053 0.000 1.136 385 W HN 0.356 nan 8.180 nan 0.000 0.526 386 I N -2.096 118.347 120.570 -0.212 0.000 2.530 386 I HA -0.232 3.938 4.170 -0.000 0.000 0.257 386 I C 1.684 177.739 176.117 -0.103 0.000 1.179 386 I CA 1.572 62.618 61.300 -0.423 0.000 1.440 386 I CB -1.252 36.309 38.000 -0.731 0.000 1.087 386 I HN -0.077 nan 8.210 nan 0.000 0.440 387 W N 0.965 122.266 121.300 0.002 0.000 2.770 387 W HA 0.060 4.720 4.660 -0.000 0.000 0.256 387 W C 2.154 178.557 176.519 -0.193 0.000 1.291 387 W CA 0.120 57.416 57.345 -0.081 0.000 1.396 387 W CB -0.074 29.280 29.460 -0.176 0.000 1.114 387 W HN 0.164 nan 8.180 nan 0.000 0.637 388 Q N -0.411 119.299 119.800 -0.150 0.000 2.280 388 Q HA 0.057 4.397 4.340 -0.000 0.000 0.244 388 Q C 0.798 176.449 176.000 -0.582 0.000 0.847 388 Q CA 0.138 55.785 55.803 -0.261 0.000 0.945 388 Q CB 0.141 28.761 28.738 -0.196 0.000 1.115 388 Q HN -0.026 nan 8.270 nan 0.000 0.513 389 E N 0.804 120.415 120.200 -0.982 0.000 2.442 389 E HA 0.110 4.459 4.350 -0.000 0.000 0.262 389 E C -0.133 176.329 176.600 -0.229 0.000 1.004 389 E CA 0.859 56.693 56.400 -0.944 0.000 0.928 389 E CB 0.382 29.616 29.700 -0.776 0.000 0.937 389 E HN 0.310 nan 8.360 nan 0.000 0.446 390 A N 3.538 126.327 122.820 -0.051 0.000 2.869 390 A HA -0.263 4.057 4.320 -0.000 0.000 0.280 390 A C 0.776 178.397 177.584 0.062 0.000 1.458 390 A CA 1.960 54.033 52.037 0.059 0.000 0.776 390 A CB -1.895 17.151 19.000 0.077 0.000 1.028 390 A HN 0.790 nan 8.150 nan 0.000 0.547 391 Q N -1.809 118.030 119.800 0.066 0.000 2.340 391 Q HA 0.092 4.432 4.340 -0.000 0.000 0.173 391 Q C -0.217 175.884 176.000 0.168 0.000 0.692 391 Q CA 0.156 56.020 55.803 0.103 0.000 0.904 391 Q CB 0.393 29.187 28.738 0.095 0.000 1.228 391 Q HN 0.536 nan 8.270 nan 0.000 0.387 392 E N 1.580 121.905 120.200 0.209 0.000 2.242 392 E HA 0.479 4.829 4.350 -0.000 0.000 0.275 392 E C -0.913 175.966 176.600 0.466 0.000 1.002 392 E CA -0.311 56.322 56.400 0.388 0.000 0.841 392 E CB 2.013 32.026 29.700 0.522 0.000 1.109 392 E HN 0.279 nan 8.360 nan 0.000 0.394 393 R N 2.323 123.090 120.500 0.444 0.000 2.647 393 R HA 0.201 4.541 4.340 -0.000 0.000 0.260 393 R C -0.681 175.769 176.300 0.249 0.000 1.154 393 R CA -0.164 56.172 56.100 0.394 0.000 1.029 393 R CB 0.342 30.822 30.300 0.301 0.000 1.262 393 R HN 0.532 nan 8.270 nan 0.000 0.437 394 L N 1.931 123.272 121.223 0.197 0.000 2.817 394 L HA 0.238 4.578 4.340 -0.000 0.000 0.248 394 L C 0.649 177.552 176.870 0.054 0.000 1.133 394 L CA 0.070 54.943 54.840 0.054 0.000 0.935 394 L CB 1.214 43.229 42.059 -0.074 0.000 1.266 394 L HN 0.712 nan 8.230 nan 0.000 0.535 395 T N -3.998 110.613 114.554 0.094 0.000 2.949 395 T HA 0.370 4.720 4.350 -0.000 0.000 0.287 395 T C 1.011 175.762 174.700 0.084 0.000 1.034 395 T CA -0.742 61.401 62.100 0.071 0.000 1.018 395 T CB 2.023 70.930 68.868 0.066 0.000 1.135 395 T HN -0.045 nan 8.240 nan 0.000 0.532 396 R N 0.033 120.573 120.500 0.066 0.000 2.092 396 R HA 0.104 4.444 4.340 -0.000 0.000 0.231 396 R C 0.716 177.066 176.300 0.083 0.000 1.119 396 R CA 1.042 57.182 56.100 0.068 0.000 0.970 396 R CB 0.022 30.353 30.300 0.051 0.000 0.864 396 R HN 0.769 nan 8.270 nan 0.000 0.440 397 E N 0.952 121.203 120.200 0.085 0.000 2.502 397 E HA 0.251 4.601 4.350 -0.000 0.000 0.261 397 E C -2.626 174.037 176.600 0.104 0.000 0.974 397 E CA -2.117 54.341 56.400 0.096 0.000 0.795 397 E CB 1.497 31.242 29.700 0.076 0.000 1.385 397 E HN -0.120 nan 8.360 nan 0.000 0.400 398 P HA -0.002 nan 4.420 nan 0.000 0.268 398 P C -0.455 176.912 177.300 0.111 0.000 1.205 398 P CA -0.486 62.697 63.100 0.137 0.000 0.771 398 P CB 0.371 32.246 31.700 0.291 0.000 0.858 399 L N 3.445 124.695 121.223 0.045 0.000 2.516 399 L HA 0.010 4.350 4.340 -0.000 0.000 0.288 399 L C 1.198 178.136 176.870 0.113 0.000 1.246 399 L CA 1.049 55.918 54.840 0.048 0.000 0.844 399 L CB -0.520 41.539 42.059 0.001 0.000 1.106 399 L HN 0.402 nan 8.230 nan 0.000 0.509 400 R N 2.630 123.203 120.500 0.123 0.000 2.711 400 R HA 0.586 4.926 4.340 -0.000 0.000 0.284 400 R C -0.868 175.521 176.300 0.149 0.000 0.968 400 R CA -0.866 55.344 56.100 0.184 0.000 0.924 400 R CB 1.528 31.920 30.300 0.154 0.000 1.162 400 R HN 0.444 nan 8.270 nan 0.000 0.465 401 I N 3.278 123.969 120.570 0.202 0.000 2.291 401 I HA 0.147 4.317 4.170 -0.000 0.000 0.292 401 I C -0.162 175.978 176.117 0.039 0.000 1.064 401 I CA -0.030 61.326 61.300 0.093 0.000 1.269 401 I CB 0.750 38.772 38.000 0.036 0.000 1.418 401 I HN 0.338 nan 8.210 nan 0.000 0.485 402 Q N 4.554 124.350 119.800 -0.006 0.000 2.337 402 Q HA 0.437 4.777 4.340 -0.000 0.000 0.270 402 Q C 0.571 176.540 176.000 -0.051 0.000 1.043 402 Q CA -0.780 55.000 55.803 -0.037 0.000 0.794 402 Q CB 2.277 31.010 28.738 -0.009 0.000 1.281 402 Q HN 0.902 nan 8.270 nan 0.000 0.446 403 G N 1.365 110.109 108.800 -0.093 0.000 2.273 403 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.280 403 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.280 403 G C 0.785 175.677 174.900 -0.012 0.000 1.047 403 G CA 0.689 45.755 45.100 -0.057 0.000 0.869 403 G HN 1.376 nan 8.290 nan 0.000 0.502 404 G N -1.710 106.951 108.800 -0.232 0.000 2.168 404 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.263 404 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.263 404 G C 0.213 174.980 174.900 -0.222 0.000 0.977 404 G CA 1.174 46.090 45.100 -0.306 0.000 0.659 404 G HN 1.375 nan 8.290 nan 0.000 0.533 405 H N -1.651 117.335 119.070 -0.140 0.000 2.865 405 H HA 0.582 5.138 4.556 -0.000 0.000 0.372 405 H C -0.980 174.323 175.328 -0.042 0.000 1.173 405 H CA -0.617 55.394 56.048 -0.062 0.000 1.147 405 H CB 2.536 32.269 29.762 -0.048 0.000 1.805 405 H HN 0.079 nan 8.280 nan 0.000 0.553 406 V N 1.668 121.641 119.914 0.100 0.000 2.444 406 V HA 0.327 4.447 4.120 -0.000 0.000 0.294 406 V C 0.184 176.310 176.094 0.052 0.000 1.022 406 V CA -0.774 61.564 62.300 0.064 0.000 0.850 406 V CB 1.207 33.059 31.823 0.048 0.000 0.992 406 V HN 0.894 nan 8.190 nan 0.000 0.426 407 A N 5.078 127.917 122.820 0.032 0.000 2.477 407 A HA 0.513 4.833 4.320 -0.000 0.000 0.246 407 A C -0.013 177.553 177.584 -0.030 0.000 1.078 407 A CA -0.106 51.934 52.037 0.006 0.000 0.770 407 A CB 0.314 19.315 19.000 0.002 0.000 1.011 407 A HN 0.742 nan 8.150 nan 0.000 0.494 408 V N 5.207 125.088 119.914 -0.054 0.000 2.455 408 V HA 0.206 4.326 4.120 -0.000 0.000 0.273 408 V C -1.967 174.072 176.094 -0.092 0.000 1.045 408 V CA -1.117 61.105 62.300 -0.129 0.000 0.976 408 V CB 0.608 32.350 31.823 -0.135 0.000 0.993 408 V HN 0.790 nan 8.190 nan 0.000 0.475 409 P HA 0.129 nan 4.420 nan 0.000 0.265 409 P C 0.436 177.754 177.300 0.030 0.000 1.193 409 P CA 0.093 63.191 63.100 -0.003 0.000 0.765 409 P CB 0.688 32.422 31.700 0.057 0.000 0.823 410 E N 1.334 121.552 120.200 0.029 0.000 2.442 410 E HA 0.000 4.350 4.350 -0.000 0.000 0.195 410 E C 0.322 176.946 176.600 0.041 0.000 1.030 410 E CA 0.086 56.504 56.400 0.031 0.000 0.869 410 E CB 0.131 29.839 29.700 0.014 0.000 0.857 410 E HN 0.389 nan 8.360 nan 0.000 0.505 411 R N 1.590 122.119 120.500 0.049 0.000 2.784 411 R HA 0.101 4.441 4.340 -0.000 0.000 0.266 411 R C -2.313 174.014 176.300 0.045 0.000 1.044 411 R CA -1.369 54.757 56.100 0.042 0.000 1.151 411 R CB -0.309 30.017 30.300 0.044 0.000 1.037 411 R HN -0.081 nan 8.270 nan 0.000 0.478 412 P HA 0.057 nan 4.420 nan 0.000 0.272 412 P C 0.284 177.583 177.300 -0.001 0.000 1.240 412 P CA 0.380 63.486 63.100 0.010 0.000 0.791 412 P CB 0.686 32.387 31.700 0.001 0.000 0.978 413 G N 0.319 109.100 108.800 -0.032 0.000 2.552 413 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.265 413 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.265 413 G C 0.633 175.431 174.900 -0.170 0.000 1.234 413 G CA 0.082 45.134 45.100 -0.079 0.000 0.944 413 G HN 0.484 nan 8.290 nan 0.000 0.568 414 L N 1.970 123.092 121.223 -0.169 0.000 2.552 414 L HA 0.331 4.671 4.340 -0.000 0.000 0.227 414 L C 2.401 179.332 176.870 0.101 0.000 1.146 414 L CA 1.172 55.889 54.840 -0.205 0.000 0.858 414 L CB -0.486 41.505 42.059 -0.115 0.000 0.969 414 L HN 2.095 nan 8.230 nan 0.000 0.451 415 G N 1.270 110.111 108.800 0.068 0.000 2.147 415 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.244 415 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.244 415 G C 0.232 175.175 174.900 0.073 0.000 1.005 415 G CA 0.623 45.780 45.100 0.096 0.000 0.713 415 G HN 0.480 nan 8.290 nan 0.000 0.515 416 I N -3.877 116.723 120.570 0.050 0.000 3.067 416 I HA 0.952 5.122 4.170 -0.000 0.000 0.312 416 I C -0.516 175.618 176.117 0.027 0.000 1.073 416 I CA -1.484 59.841 61.300 0.041 0.000 1.016 416 I CB 2.409 40.432 38.000 0.038 0.000 1.227 416 I HN 0.048 nan 8.210 nan 0.000 0.456 417 E N 2.781 122.999 120.200 0.029 0.000 2.283 417 E HA 0.346 4.696 4.350 -0.000 0.000 0.258 417 E C -1.552 175.061 176.600 0.021 0.000 0.893 417 E CA -0.848 55.565 56.400 0.022 0.000 0.798 417 E CB 2.354 32.069 29.700 0.025 0.000 1.242 417 E HN 0.660 nan 8.360 nan 0.000 0.414 418 I N 3.482 124.058 120.570 0.009 0.000 2.692 418 I HA 0.034 4.204 4.170 -0.000 0.000 0.284 418 I C -0.328 175.793 176.117 0.007 0.000 1.159 418 I CA 0.432 61.734 61.300 0.003 0.000 1.423 418 I CB 0.795 38.786 38.000 -0.014 0.000 1.380 418 I HN 0.470 nan 8.210 nan 0.000 0.580 419 D N 7.618 128.024 120.400 0.010 0.000 2.460 419 D HA 0.129 4.769 4.640 -0.000 0.000 0.232 419 D C 0.608 176.908 176.300 0.001 0.000 1.079 419 D CA -0.386 53.623 54.000 0.015 0.000 0.864 419 D CB 0.945 41.765 40.800 0.034 0.000 1.048 419 D HN 0.444 nan 8.370 nan 0.000 0.523 420 M N 1.946 121.542 119.600 -0.006 0.000 2.319 420 M HA -0.076 4.404 4.480 -0.000 0.000 0.265 420 M C 0.840 177.134 176.300 -0.010 0.000 1.068 420 M CA 0.803 56.092 55.300 -0.018 0.000 1.118 420 M CB -0.311 32.275 32.600 -0.022 0.000 1.395 420 M HN 0.372 nan 8.290 nan 0.000 0.435 421 D N 0.002 120.404 120.400 0.004 0.000 2.144 421 D HA -0.094 4.546 4.640 -0.000 0.000 0.200 421 D C 2.173 178.484 176.300 0.018 0.000 0.978 421 D CA 0.827 54.835 54.000 0.012 0.000 0.833 421 D CB -0.082 40.730 40.800 0.019 0.000 0.961 421 D HN 0.284 nan 8.370 nan 0.000 0.470 422 R N 0.711 121.222 120.500 0.019 0.000 2.062 422 R HA -0.012 4.328 4.340 -0.000 0.000 0.229 422 R C 2.537 178.833 176.300 -0.007 0.000 1.128 422 R CA 0.375 56.489 56.100 0.025 0.000 0.960 422 R CB -1.075 29.250 30.300 0.042 0.000 0.855 422 R HN 0.135 nan 8.270 nan 0.000 0.432 423 V N 1.890 121.783 119.914 -0.035 0.000 2.250 423 V HA -0.299 3.821 4.120 -0.000 0.000 0.250 423 V C 2.544 178.624 176.094 -0.023 0.000 1.060 423 V CA 1.866 64.123 62.300 -0.071 0.000 1.030 423 V CB -0.458 31.317 31.823 -0.081 0.000 0.643 423 V HN 0.211 nan 8.190 nan 0.000 0.445 424 M N -0.456 119.144 119.600 -0.001 0.000 2.229 424 M HA -0.034 4.445 4.480 -0.000 0.000 0.264 424 M C 2.333 178.681 176.300 0.079 0.000 1.063 424 M CA 1.892 57.219 55.300 0.046 0.000 1.114 424 M CB -1.518 31.095 32.600 0.021 0.000 1.387 424 M HN 0.433 nan 8.290 nan 0.000 0.420 425 A N 0.097 122.946 122.820 0.048 0.000 1.930 425 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 425 A C 2.418 180.032 177.584 0.051 0.000 1.175 425 A CA 1.814 53.880 52.037 0.049 0.000 0.627 425 A CB -0.712 18.317 19.000 0.047 0.000 0.815 425 A HN 0.450 nan 8.150 nan 0.000 0.443 426 A N -0.988 121.853 122.820 0.036 0.000 1.897 426 A HA -0.088 4.232 4.320 -0.000 0.000 0.215 426 A C 1.997 179.612 177.584 0.052 0.000 1.181 426 A CA 1.913 53.962 52.037 0.019 0.000 0.620 426 A CB -0.810 18.127 19.000 -0.106 0.000 0.821 426 A HN 0.743 nan 8.150 nan 0.000 0.443 427 H N 0.184 119.238 119.070 -0.027 0.000 2.321 427 H HA 0.021 4.576 4.556 -0.000 0.000 0.300 427 H C 2.178 177.550 175.328 0.074 0.000 1.087 427 H CA 2.060 58.118 56.048 0.017 0.000 1.319 427 H CB -0.316 29.435 29.762 -0.019 0.000 1.379 427 H HN 0.365 nan 8.280 nan 0.000 0.501 428 A N 0.681 123.509 122.820 0.014 0.000 1.892 428 A HA -0.172 4.147 4.320 -0.000 0.000 0.218 428 A C 2.442 179.965 177.584 -0.102 0.000 1.188 428 A CA 1.780 53.781 52.037 -0.061 0.000 0.631 428 A CB -1.110 17.894 19.000 0.007 0.000 0.822 428 A HN 0.509 nan 8.150 nan 0.000 0.447 429 L N -1.512 119.678 121.223 -0.055 0.000 2.079 429 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 429 L C 2.318 179.090 176.870 -0.162 0.000 1.081 429 L CA 2.498 57.282 54.840 -0.094 0.000 0.752 429 L CB -0.850 41.198 42.059 -0.019 0.000 0.896 429 L HN 0.552 nan 8.230 nan 0.000 0.433 430 Y N 0.392 120.558 120.300 -0.223 0.000 2.224 430 Y HA -0.218 4.332 4.550 -0.000 0.000 0.289 430 Y C 2.215 177.957 175.900 -0.263 0.000 1.146 430 Y CA 1.807 59.765 58.100 -0.236 0.000 1.182 430 Y CB -0.199 38.137 38.460 -0.206 0.000 0.983 430 Y HN 0.157 nan 8.280 nan 0.000 0.524 431 K N -0.456 119.705 120.400 -0.398 0.000 2.211 431 K HA -0.111 4.209 4.320 -0.000 0.000 0.203 431 K C 1.958 178.342 176.600 -0.359 0.000 1.050 431 K CA 1.587 57.624 56.287 -0.417 0.000 0.945 431 K CB -0.630 31.702 32.500 -0.280 0.000 0.732 431 K HN 0.553 nan 8.250 nan 0.000 0.451 432 T N -1.381 112.979 114.554 -0.323 0.000 3.118 432 T HA 0.090 4.440 4.350 -0.000 0.000 0.260 432 T C 1.784 176.279 174.700 -0.342 0.000 1.139 432 T CA 0.281 62.211 62.100 -0.283 0.000 1.085 432 T CB -0.044 68.674 68.868 -0.249 0.000 0.934 432 T HN 0.045 nan 8.240 nan 0.000 0.518 433 L N -0.156 120.807 121.223 -0.433 0.000 2.349 433 L HA 0.434 4.774 4.340 -0.000 0.000 0.200 433 L C 2.321 178.982 176.870 -0.349 0.000 1.064 433 L CA 0.446 55.042 54.840 -0.408 0.000 0.821 433 L CB -1.184 40.612 42.059 -0.439 0.000 1.027 433 L HN 0.542 nan 8.230 nan 0.000 0.476 434 G N 0.718 109.229 108.800 -0.481 0.000 2.557 434 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.292 434 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.292 434 G C -2.136 172.620 174.900 -0.240 0.000 1.162 434 G CA -0.051 44.829 45.100 -0.367 0.000 0.964 434 G HN 0.309 nan 8.290 nan 0.000 0.541 435 P HA 0.609 nan 4.420 nan 0.000 0.296 435 P C 0.054 177.330 177.300 -0.040 0.000 1.306 435 P CA 1.071 64.130 63.100 -0.068 0.000 0.818 435 P CB 1.132 32.799 31.700 -0.055 0.000 0.969 436 G N 1.138 109.933 108.800 -0.010 0.000 3.014 436 G HA2 0.396 4.356 3.960 -0.000 0.000 0.683 436 G HA3 0.396 4.356 3.960 -0.000 0.000 0.683 436 G C -0.610 174.306 174.900 0.026 0.000 1.271 436 G CA -0.420 44.684 45.100 0.007 0.000 0.843 436 G HN 0.597 nan 8.290 nan 0.000 0.612 437 A N 2.165 125.004 122.820 0.032 0.000 2.280 437 A HA 0.850 5.170 4.320 -0.000 0.000 0.268 437 A C 1.129 178.735 177.584 0.037 0.000 1.111 437 A CA 0.394 52.456 52.037 0.042 0.000 0.814 437 A CB 0.404 19.427 19.000 0.038 0.000 1.093 437 A HN 1.588 nan 8.150 nan 0.000 0.498 438 R N 0.041 120.564 120.500 0.039 0.000 2.566 438 R HA 0.046 4.386 4.340 -0.000 0.000 0.273 438 R C -1.397 174.908 176.300 0.009 0.000 0.981 438 R CA 0.834 56.945 56.100 0.019 0.000 1.091 438 R CB 0.092 30.392 30.300 -0.000 0.000 0.924 438 R HN 0.672 nan 8.270 nan 0.000 0.411 439 D N 2.752 123.158 120.400 0.011 0.000 2.375 439 D HA 0.133 4.773 4.640 -0.000 0.000 0.241 439 D C -0.664 175.654 176.300 0.030 0.000 1.361 439 D CA -0.551 53.464 54.000 0.026 0.000 0.995 439 D CB 1.299 42.125 40.800 0.044 0.000 1.312 439 D HN 0.486 nan 8.370 nan 0.000 0.576 440 D N 2.074 122.485 120.400 0.019 0.000 2.269 440 D HA 0.008 4.647 4.640 -0.000 0.000 0.208 440 D C 1.885 178.198 176.300 0.021 0.000 0.963 440 D CA 0.799 54.806 54.000 0.012 0.000 0.864 440 D CB 0.176 40.981 40.800 0.009 0.000 0.936 440 D HN 0.502 nan 8.370 nan 0.000 0.505 441 A N 0.882 123.771 122.820 0.114 0.000 2.067 441 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 441 A C 2.022 179.690 177.584 0.140 0.000 1.158 441 A CA 0.790 52.958 52.037 0.218 0.000 0.661 441 A CB -0.448 18.803 19.000 0.419 0.000 0.801 441 A HN 0.127 nan 8.150 nan 0.000 0.452 442 M N 0.293 119.957 119.600 0.106 0.000 2.084 442 M HA -0.191 4.289 4.480 -0.000 0.000 0.259 442 M C 2.251 178.628 176.300 0.128 0.000 1.072 442 M CA 2.337 57.698 55.300 0.102 0.000 1.107 442 M CB -0.912 31.750 32.600 0.104 0.000 1.299 442 M HN 0.411 nan 8.290 nan 0.000 0.413 443 A N -0.217 122.704 122.820 0.168 0.000 1.969 443 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 443 A C 2.023 179.716 177.584 0.181 0.000 1.169 443 A CA 1.605 53.814 52.037 0.287 0.000 0.635 443 A CB -0.728 18.437 19.000 0.274 0.000 0.810 443 A HN 0.626 nan 8.150 nan 0.000 0.445 444 M N -0.038 119.550 119.600 -0.020 0.000 2.346 444 M HA -0.161 4.318 4.480 -0.000 0.000 0.263 444 M C 1.792 178.045 176.300 -0.078 0.000 1.064 444 M CA 1.400 56.579 55.300 -0.201 0.000 1.083 444 M CB -0.524 31.682 32.600 -0.656 0.000 1.399 444 M HN 0.419 nan 8.290 nan 0.000 0.435 445 Q N -1.145 118.643 119.800 -0.019 0.000 2.226 445 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 445 Q C 1.756 177.670 176.000 -0.144 0.000 0.975 445 Q CA 1.622 57.381 55.803 -0.074 0.000 0.866 445 Q CB -0.675 27.959 28.738 -0.174 0.000 0.915 445 Q HN 0.652 nan 8.270 nan 0.000 0.440 446 Y N -0.538 119.775 120.300 0.023 0.000 2.516 446 Y HA -0.086 4.464 4.550 -0.000 0.000 0.291 446 Y C 1.868 177.767 175.900 -0.001 0.000 1.131 446 Y CA 0.326 58.437 58.100 0.019 0.000 1.281 446 Y CB 0.171 38.648 38.460 0.028 0.000 1.013 446 Y HN 0.026 nan 8.280 nan 0.000 0.554 447 L N -1.611 119.670 121.223 0.097 0.000 2.200 447 L HA 0.126 4.466 4.340 -0.000 0.000 0.200 447 L C 0.272 177.159 176.870 0.028 0.000 1.072 447 L CA 0.703 55.562 54.840 0.031 0.000 0.787 447 L CB -0.058 41.980 42.059 -0.035 0.000 0.957 447 L HN -0.220 nan 8.230 nan 0.000 0.459 448 V N 0.903 120.837 119.914 0.033 0.000 2.398 448 V HA 0.333 4.453 4.120 -0.000 0.000 0.282 448 V C -2.430 173.732 176.094 0.112 0.000 1.014 448 V CA -1.609 60.746 62.300 0.092 0.000 0.838 448 V CB 1.191 33.120 31.823 0.176 0.000 1.018 448 V HN 0.028 nan 8.190 nan 0.000 0.432 449 P HA 0.280 nan 4.420 nan 0.000 0.265 449 P C 1.035 178.374 177.300 0.065 0.000 1.222 449 P CA 1.234 64.353 63.100 0.032 0.000 0.767 449 P CB 0.638 32.343 31.700 0.008 0.000 0.801 450 G N 2.419 111.266 108.800 0.079 0.000 2.184 450 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.206 450 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.206 450 G C -0.173 174.792 174.900 0.108 0.000 0.995 450 G CA -0.707 44.434 45.100 0.070 0.000 0.651 450 G HN 0.511 nan 8.290 nan 0.000 0.511 451 W N 2.910 124.208 121.300 -0.003 0.000 2.443 451 W HA 0.463 5.123 4.660 -0.000 0.000 0.335 451 W C 0.093 176.631 176.519 0.032 0.000 1.382 451 W CA 1.428 58.782 57.345 0.015 0.000 1.305 451 W CB 0.457 29.930 29.460 0.023 0.000 1.283 451 W HN 0.103 nan 8.180 nan 0.000 0.567 452 T N 7.854 121.980 114.554 -0.714 0.000 2.792 452 T HA 0.100 4.450 4.350 -0.000 0.000 0.280 452 T C -0.880 173.107 174.700 -1.188 0.000 0.990 452 T CA -0.465 61.233 62.100 -0.670 0.000 0.960 452 T CB 0.543 69.212 68.868 -0.331 0.000 0.939 452 T HN 0.261 nan 8.240 nan 0.000 0.439 453 Y N 3.114 122.780 120.300 -1.058 0.000 2.904 453 Y HA 0.173 4.722 4.550 -0.000 0.000 0.336 453 Y C 0.115 175.776 175.900 -0.400 0.000 1.263 453 Y CA 0.345 58.023 58.100 -0.705 0.000 1.547 453 Y CB 0.378 38.753 38.460 -0.142 0.000 1.272 453 Y HN 0.514 nan 8.280 nan 0.000 0.596 454 D N 8.338 128.162 120.400 -0.961 0.000 2.602 454 D HA 0.235 4.875 4.640 -0.000 0.000 0.245 454 D C -2.190 173.598 176.300 -0.852 0.000 1.325 454 D CA -2.160 51.373 54.000 -0.779 0.000 0.952 454 D CB 1.875 42.431 40.800 -0.406 0.000 1.317 454 D HN 0.352 nan 8.370 nan 0.000 0.577 455 P HA -0.094 nan 4.420 nan 0.000 0.223 455 P C 0.399 177.590 177.300 -0.182 0.000 1.144 455 P CA 0.704 63.553 63.100 -0.418 0.000 0.783 455 P CB 0.449 32.078 31.700 -0.120 0.000 0.771 456 K N -0.400 119.898 120.400 -0.170 0.000 2.564 456 K HA 0.217 4.536 4.320 -0.000 0.000 0.205 456 K C 0.470 177.055 176.600 -0.025 0.000 1.053 456 K CA -0.201 56.050 56.287 -0.059 0.000 1.072 456 K CB 1.285 33.764 32.500 -0.034 0.000 0.822 456 K HN 0.172 nan 8.250 nan 0.000 0.497 457 R N 1.553 122.022 120.500 -0.051 0.000 2.515 457 R HA 0.299 4.639 4.340 -0.000 0.000 0.291 457 R C -2.963 173.371 176.300 0.056 0.000 1.046 457 R CA -1.515 54.590 56.100 0.008 0.000 0.914 457 R CB 1.672 31.950 30.300 -0.037 0.000 1.191 457 R HN -0.191 nan 8.270 nan 0.000 0.435 458 P HA -0.080 nan 4.420 nan 0.000 0.264 458 P C 0.477 177.882 177.300 0.176 0.000 1.179 458 P CA 0.396 63.586 63.100 0.150 0.000 0.763 458 P CB 0.824 32.628 31.700 0.172 0.000 0.806 459 S N 2.436 118.276 115.700 0.234 0.000 2.447 459 S HA -0.049 4.421 4.470 -0.000 0.000 0.233 459 S C 0.754 175.572 174.600 0.363 0.000 1.006 459 S CA 0.842 59.309 58.200 0.444 0.000 0.957 459 S CB -0.508 62.890 63.200 0.330 0.000 0.773 459 S HN 0.274 nan 8.310 nan 0.000 0.507 460 L N 0.000 121.311 121.223 0.147 0.000 2.949 460 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 460 L CA 0.000 54.889 54.840 0.081 0.000 0.813 460 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 460 L HN 0.000 nan 8.230 nan 0.000 0.502