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 3fha_1_D DATA FIRST_RESID 3 DATA SEQUENCE YNGPLSSHWF PEELAQWEPD SDPDAPFNRS HVPLEPGRVA NRVNANADKD DATA SEQUENCE AHLVSLSALN RHTSGVPSQG APVFYENTFS YWHYTDLMVY WAGSAGEGII DATA SEQUENCE VPPSADVIDA SHRNGVPILG NVFFPPTVYG GQLEWLEQML EQEXXXXXPL DATA SEQUENCE ADKLLEVADY YGFDGWFINQ ETEXXDEGTA EAMQAFLVYL QEQKPEXMHI DATA SEQUENCE MWYDSMIDTG XIAWQNHLTD RNKMYLXXXX TRVADSMFLN FWWRDQRQSN DATA SEQUENCE ELAQALGRSP YDLYAGVDVE ARGTSTPVQW EGLFPEGEKA HTSLGLYRPD DATA SEQUENCE WAFQSSETME AFYEKELQFW VGSTGNPAET DGQSNWPGMA HWFPAKSTAT DATA SEQUENCE SVPFVTHFNT GSGAQFSAEG KTVSEQEWNN RSLQDVLPTW RWIQHGGDLE DATA SEQUENCE ATFSWEEAFE GGSSLQWHGS LAXXXHAQIE LYQTELPISE GTSLTWTFKS DATA SEQUENCE EHDNDLNVGF RLDGEEDFRY VEGEQRESIN GWTQWTLPLD AFAGQTITGL DATA SEQUENCE AFAAEGNETG LAEFYTGQLA VGADXXKPAA PNVNVRQYXX XXXGIQLVWE DATA SEQUENCE XXXNVHHYRV YKETXXXKEL IGTSAGDRIY IXXXXXXXXX XXXRLHIEAL DATA SEQUENCE SETFVPSDAR MID 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 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.911 175.900 0.018 0.000 1.272 3 Y CA 0.000 58.126 58.100 0.043 0.000 1.940 3 Y CB 0.000 38.475 38.460 0.026 0.000 1.050 4 N N 2.913 121.228 118.700 -0.643 0.000 2.238 4 N HA 0.283 5.022 4.740 -0.002 0.000 0.235 4 N C 0.336 175.371 175.510 -0.792 0.000 1.209 4 N CA 0.419 53.163 53.050 -0.509 0.000 0.879 4 N CB 1.247 39.638 38.487 -0.159 0.000 1.136 4 N HN 0.794 nan 8.380 nan 0.000 0.517 5 G N 0.488 108.221 108.800 -1.780 0.000 2.535 5 G HA2 0.328 4.287 3.960 -0.002 0.000 0.282 5 G HA3 0.328 4.287 3.960 -0.002 0.000 0.282 5 G C -2.499 171.791 174.900 -1.017 0.000 1.350 5 G CA -0.927 43.029 45.100 -1.907 0.000 1.039 5 G HN -0.050 nan 8.290 nan 0.000 0.509 6 P HA 0.256 nan 4.420 nan 0.000 0.268 6 P C -0.592 176.606 177.300 -0.171 0.000 1.205 6 P CA 0.159 62.906 63.100 -0.588 0.000 0.771 6 P CB 0.664 31.735 31.700 -1.048 0.000 0.858 7 L N 1.095 122.293 121.223 -0.042 0.000 2.354 7 L HA 0.416 4.755 4.340 -0.002 0.000 0.269 7 L C 0.699 177.566 176.870 -0.005 0.000 1.005 7 L CA -0.984 53.870 54.840 0.022 0.000 0.819 7 L CB 1.967 44.066 42.059 0.066 0.000 1.311 7 L HN 0.278 nan 8.230 nan 0.000 0.423 8 S N 0.635 116.311 115.700 -0.041 0.000 2.560 8 S HA 0.165 4.634 4.470 -0.002 0.000 0.284 8 S C 0.145 174.685 174.600 -0.101 0.000 1.327 8 S CA -0.463 57.668 58.200 -0.116 0.000 1.055 8 S CB 0.460 63.569 63.200 -0.152 0.000 0.868 8 S HN 0.583 nan 8.310 nan 0.000 0.506 9 S N 3.915 119.478 115.700 -0.229 0.000 2.603 9 S HA 0.385 4.854 4.470 -0.002 0.000 0.268 9 S C -0.343 173.881 174.600 -0.626 0.000 1.317 9 S CA -0.519 57.383 58.200 -0.497 0.000 1.012 9 S CB 0.325 63.130 63.200 -0.659 0.000 0.926 9 S HN 0.892 nan 8.310 nan 0.000 0.539 10 H N -0.856 117.560 119.070 -1.091 0.000 3.140 10 H HA 0.346 4.901 4.556 -0.001 0.000 0.336 10 H C -2.231 172.563 175.328 -0.891 0.000 1.142 10 H CA -0.884 54.646 56.048 -0.863 0.000 1.308 10 H CB 0.168 29.650 29.762 -0.466 0.000 1.970 10 H HN 0.601 nan 8.280 nan 0.000 0.521 11 W N 2.579 123.728 121.300 -0.252 0.000 2.936 11 W HA 0.451 5.111 4.660 -0.001 0.000 0.338 11 W C -1.121 175.126 176.519 -0.454 0.000 1.121 11 W CA -0.834 56.332 57.345 -0.298 0.000 1.209 11 W CB 1.775 31.122 29.460 -0.188 0.000 1.420 11 W HN 0.343 nan 8.180 nan 0.000 0.516 12 F N 1.886 121.847 119.950 0.019 0.000 2.371 12 F HA 0.252 4.778 4.527 -0.002 0.000 0.329 12 F C -1.092 174.671 175.800 -0.062 0.000 1.107 12 F CA -1.987 55.899 58.000 -0.190 0.000 1.137 12 F CB 0.002 38.850 39.000 -0.252 0.000 1.214 12 F HN 0.005 nan 8.300 nan 0.000 0.536 13 P HA -0.199 nan 4.420 nan 0.000 0.217 13 P C 1.181 178.545 177.300 0.106 0.000 1.151 13 P CA 1.593 64.754 63.100 0.101 0.000 0.849 13 P CB 0.256 32.057 31.700 0.169 0.000 0.787 14 E N -0.627 119.663 120.200 0.149 0.000 2.285 14 E HA -0.103 4.246 4.350 -0.002 0.000 0.194 14 E C 1.828 178.497 176.600 0.115 0.000 0.997 14 E CA 0.758 57.231 56.400 0.122 0.000 0.845 14 E CB -0.278 29.499 29.700 0.129 0.000 0.782 14 E HN 0.468 nan 8.360 nan 0.000 0.491 15 E N 0.377 120.675 120.200 0.163 0.000 2.076 15 E HA -0.117 4.232 4.350 -0.002 0.000 0.190 15 E C 2.057 178.693 176.600 0.059 0.000 0.979 15 E CA 0.362 56.876 56.400 0.189 0.000 0.807 15 E CB -0.052 29.848 29.700 0.333 0.000 0.761 15 E HN 0.039 nan 8.360 nan 0.000 0.454 16 L N 1.304 122.474 121.223 -0.089 0.000 2.017 16 L HA -0.133 4.206 4.340 -0.002 0.000 0.208 16 L C 2.257 179.014 176.870 -0.189 0.000 1.073 16 L CA 2.009 56.589 54.840 -0.433 0.000 0.745 16 L CB -0.611 41.208 42.059 -0.400 0.000 0.894 16 L HN 0.048 nan 8.230 nan 0.000 0.432 17 A N -0.395 122.387 122.820 -0.064 0.000 1.948 17 A HA -0.270 4.049 4.320 -0.002 0.000 0.220 17 A C 1.979 179.560 177.584 -0.005 0.000 1.177 17 A CA 1.952 53.977 52.037 -0.019 0.000 0.636 17 A CB -0.717 18.292 19.000 0.015 0.000 0.815 17 A HN 0.793 nan 8.150 nan 0.000 0.449 18 Q N -2.434 117.375 119.800 0.015 0.000 2.204 18 Q HA 0.142 4.481 4.340 -0.002 0.000 0.209 18 Q C 0.027 176.046 176.000 0.032 0.000 0.861 18 Q CA -0.643 55.170 55.803 0.017 0.000 0.971 18 Q CB -0.287 28.468 28.738 0.028 0.000 1.095 18 Q HN 0.655 nan 8.270 nan 0.000 0.486 19 W N 2.267 123.459 121.300 -0.180 0.000 2.287 19 W HA 0.342 5.002 4.660 -0.002 0.000 0.313 19 W C -0.627 175.780 176.519 -0.187 0.000 1.267 19 W CA -0.098 57.126 57.345 -0.201 0.000 1.201 19 W CB 1.022 30.214 29.460 -0.448 0.000 1.196 19 W HN 0.026 nan 8.180 nan 0.000 0.536 20 E N 6.914 126.534 120.200 -0.967 0.000 2.275 20 E HA 0.364 4.713 4.350 -0.002 0.000 0.270 20 E C -1.999 173.788 176.600 -1.356 0.000 0.882 20 E CA -2.306 53.463 56.400 -1.052 0.000 0.758 20 E CB 2.328 31.733 29.700 -0.491 0.000 1.195 20 E HN 0.095 nan 8.360 nan 0.000 0.419 21 P HA -0.135 nan 4.420 nan 0.000 0.216 21 P C 0.222 177.235 177.300 -0.479 0.000 1.153 21 P CA 1.142 63.590 63.100 -1.087 0.000 0.858 21 P CB 0.308 31.140 31.700 -1.447 0.000 0.789 22 D N -1.192 118.968 120.400 -0.400 0.000 2.310 22 D HA -0.074 4.565 4.640 -0.002 0.000 0.212 22 D C 1.700 177.917 176.300 -0.140 0.000 0.965 22 D CA 1.330 55.214 54.000 -0.193 0.000 0.879 22 D CB -0.341 40.361 40.800 -0.164 0.000 0.921 22 D HN 0.290 nan 8.370 nan 0.000 0.510 23 S N -0.803 114.781 115.700 -0.193 0.000 2.540 23 S HA 0.002 4.471 4.470 -0.002 0.000 0.218 23 S C 0.428 175.000 174.600 -0.045 0.000 0.977 23 S CA -0.461 57.672 58.200 -0.111 0.000 0.918 23 S CB 0.580 63.704 63.200 -0.126 0.000 0.806 23 S HN -0.111 nan 8.310 nan 0.000 0.496 24 D N 2.465 122.844 120.400 -0.035 0.000 2.373 24 D HA 0.428 5.067 4.640 -0.002 0.000 0.227 24 D C -2.095 174.331 176.300 0.209 0.000 1.091 24 D CA -2.382 51.700 54.000 0.136 0.000 0.840 24 D CB 1.890 42.858 40.800 0.280 0.000 1.060 24 D HN -0.035 nan 8.370 nan 0.000 0.502 25 P HA -0.003 nan 4.420 nan 0.000 0.225 25 P C 0.194 177.792 177.300 0.497 0.000 1.148 25 P CA 0.686 63.955 63.100 0.282 0.000 0.779 25 P CB 0.524 32.309 31.700 0.141 0.000 0.780 26 D N -1.399 119.270 120.400 0.448 0.000 2.366 26 D HA 0.116 4.755 4.640 -0.002 0.000 0.205 26 D C 1.961 178.587 176.300 0.543 0.000 1.022 26 D CA 0.469 54.753 54.000 0.473 0.000 0.868 26 D CB -0.615 40.355 40.800 0.284 0.000 0.953 26 D HN -0.034 nan 8.370 nan 0.000 0.514 27 A N 1.846 125.015 122.820 0.582 0.000 1.917 27 A HA -0.144 4.175 4.320 -0.002 0.000 0.219 27 A C -0.300 177.710 177.584 0.709 0.000 1.182 27 A CA 1.428 53.947 52.037 0.804 0.000 0.633 27 A CB -1.439 18.018 19.000 0.761 0.000 0.819 27 A HN 0.194 nan 8.150 nan 0.000 0.448 28 P HA -0.047 nan 4.420 nan 0.000 0.221 28 P C 0.853 178.164 177.300 0.019 0.000 1.150 28 P CA 0.744 63.951 63.100 0.180 0.000 0.800 28 P CB -0.164 31.512 31.700 -0.041 0.000 0.787 29 F N -0.618 119.403 119.950 0.118 0.000 2.407 29 F HA -0.021 4.505 4.527 -0.002 0.000 0.299 29 F C 1.717 177.510 175.800 -0.011 0.000 1.097 29 F CA 0.848 58.869 58.000 0.035 0.000 1.422 29 F CB -0.744 38.250 39.000 -0.009 0.000 1.067 29 F HN -0.068 nan 8.300 nan 0.000 0.539 30 N N 0.145 118.916 118.700 0.118 0.000 2.280 30 N HA 0.046 4.785 4.740 -0.002 0.000 0.192 30 N C 0.026 175.343 175.510 -0.321 0.000 1.109 30 N CA 0.126 53.029 53.050 -0.246 0.000 0.855 30 N CB 0.063 38.173 38.487 -0.628 0.000 0.974 30 N HN 0.182 nan 8.380 nan 0.000 0.482 31 R N 0.738 121.218 120.500 -0.032 0.000 2.389 31 R HA 0.168 4.507 4.340 -0.002 0.000 0.295 31 R C 0.349 176.548 176.300 -0.169 0.000 1.075 31 R CA -0.052 55.997 56.100 -0.085 0.000 1.005 31 R CB 0.804 30.944 30.300 -0.267 0.000 0.987 31 R HN -0.084 nan 8.270 nan 0.000 0.452 32 S N 1.311 116.908 115.700 -0.172 0.000 2.545 32 S HA 0.101 4.570 4.470 -0.002 0.000 0.275 32 S C -0.046 174.384 174.600 -0.284 0.000 1.299 32 S CA -0.532 57.588 58.200 -0.134 0.000 1.048 32 S CB 0.407 63.553 63.200 -0.090 0.000 0.938 32 S HN 0.664 nan 8.310 nan 0.000 0.496 33 H N 2.182 121.263 119.070 0.018 0.000 2.512 33 H HA 0.382 4.937 4.556 -0.002 0.000 0.276 33 H C -0.813 174.544 175.328 0.049 0.000 1.126 33 H CA -0.136 55.932 56.048 0.033 0.000 1.060 33 H CB 0.658 30.442 29.762 0.037 0.000 1.646 33 H HN 0.280 nan 8.280 nan 0.000 0.571 34 V N 3.004 122.994 119.914 0.127 0.000 2.304 34 V HA 0.273 4.392 4.120 -0.002 0.000 0.278 34 V C -2.280 173.933 176.094 0.198 0.000 1.018 34 V CA -2.038 60.335 62.300 0.121 0.000 0.814 34 V CB 1.352 33.221 31.823 0.075 0.000 1.021 34 V HN 0.128 nan 8.190 nan 0.000 0.440 35 P HA 0.138 nan 4.420 nan 0.000 0.272 35 P C -0.272 176.962 177.300 -0.110 0.000 1.230 35 P CA -0.533 62.593 63.100 0.043 0.000 0.788 35 P CB 0.628 32.329 31.700 0.003 0.000 0.949 36 L N 2.206 123.135 121.223 -0.490 0.000 2.534 36 L HA 0.036 4.375 4.340 -0.002 0.000 0.271 36 L C 0.381 177.127 176.870 -0.206 0.000 1.178 36 L CA 0.571 55.061 54.840 -0.583 0.000 0.907 36 L CB -0.594 41.066 42.059 -0.665 0.000 1.164 36 L HN 0.237 nan 8.230 nan 0.000 0.482 37 E N 7.251 127.381 120.200 -0.116 0.000 2.265 37 E HA 0.213 4.562 4.350 -0.002 0.000 0.272 37 E C -2.173 174.399 176.600 -0.046 0.000 1.067 37 E CA -1.498 54.870 56.400 -0.053 0.000 0.900 37 E CB 0.331 30.017 29.700 -0.023 0.000 1.017 37 E HN 0.477 nan 8.360 nan 0.000 0.431 38 P HA 0.231 nan 4.420 nan 0.000 0.281 38 P C -0.024 177.271 177.300 -0.009 0.000 1.264 38 P CA -0.432 62.657 63.100 -0.020 0.000 0.824 38 P CB 0.779 32.470 31.700 -0.016 0.000 1.092 39 G N 1.115 109.916 108.800 0.000 0.000 2.370 39 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.295 39 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.295 39 G C -0.109 174.789 174.900 -0.003 0.000 1.045 39 G CA -0.393 44.709 45.100 0.003 0.000 1.199 39 G HN 0.613 nan 8.290 nan 0.000 0.513 40 R N -0.976 119.528 120.500 0.006 0.000 2.641 40 R HA 0.536 4.875 4.340 -0.002 0.000 0.269 40 R C 0.357 176.659 176.300 0.003 0.000 1.074 40 R CA -0.433 55.667 56.100 0.001 0.000 1.133 40 R CB 1.456 31.771 30.300 0.024 0.000 1.029 40 R HN 0.307 nan 8.270 nan 0.000 0.488 41 V N 1.424 121.328 119.914 -0.017 0.000 2.513 41 V HA 0.642 4.761 4.120 -0.002 0.000 0.299 41 V C -0.492 175.605 176.094 0.004 0.000 1.035 41 V CA -0.536 61.759 62.300 -0.009 0.000 0.889 41 V CB 1.610 33.412 31.823 -0.035 0.000 0.988 41 V HN 0.928 nan 8.190 nan 0.000 0.440 42 A N 5.332 128.176 122.820 0.040 0.000 2.293 42 A HA 0.719 5.038 4.320 -0.002 0.000 0.302 42 A C 0.043 177.684 177.584 0.094 0.000 1.119 42 A CA -0.640 51.441 52.037 0.074 0.000 0.823 42 A CB 0.605 19.667 19.000 0.103 0.000 1.097 42 A HN 1.029 nan 8.150 nan 0.000 0.491 43 N N 0.243 119.033 118.700 0.150 0.000 2.476 43 N HA 0.412 5.151 4.740 -0.002 0.000 0.287 43 N C -0.322 175.309 175.510 0.201 0.000 1.262 43 N CA -0.545 52.656 53.050 0.251 0.000 0.980 43 N CB 0.582 39.358 38.487 0.482 0.000 1.163 43 N HN 0.567 nan 8.380 nan 0.000 0.592 44 R N -0.476 120.140 120.500 0.194 0.000 2.559 44 R HA 0.153 4.492 4.340 -0.002 0.000 0.448 44 R C 0.797 177.132 176.300 0.058 0.000 0.953 44 R CA -0.024 56.136 56.100 0.100 0.000 1.086 44 R CB 0.065 30.400 30.300 0.059 0.000 1.491 44 R HN 0.466 nan 8.270 nan 0.000 0.597 45 V N -2.328 117.635 119.914 0.081 0.000 2.719 45 V HA 0.065 4.184 4.120 -0.002 0.000 0.252 45 V C 0.824 176.902 176.094 -0.027 0.000 1.065 45 V CA 0.833 63.115 62.300 -0.030 0.000 1.086 45 V CB -0.196 31.530 31.823 -0.163 0.000 0.700 45 V HN 0.197 nan 8.190 nan 0.000 0.467 46 N N 0.708 119.411 118.700 0.004 0.000 2.437 46 N HA 0.480 5.219 4.740 -0.002 0.000 0.259 46 N C 0.939 176.393 175.510 -0.093 0.000 0.983 46 N CA 0.573 53.588 53.050 -0.058 0.000 0.937 46 N CB 1.967 40.408 38.487 -0.076 0.000 1.122 46 N HN 0.307 nan 8.380 nan 0.000 0.499 47 A N 3.871 126.627 122.820 -0.107 0.000 2.015 47 A HA -0.160 4.159 4.320 -0.002 0.000 0.219 47 A C 1.847 179.337 177.584 -0.158 0.000 1.163 47 A CA 1.307 53.280 52.037 -0.106 0.000 0.646 47 A CB -0.354 18.595 19.000 -0.086 0.000 0.806 47 A HN 0.786 nan 8.150 nan 0.000 0.448 48 N N 0.067 118.612 118.700 -0.258 0.000 2.331 48 N HA 0.097 4.836 4.740 -0.002 0.000 0.180 48 N C 0.719 175.999 175.510 -0.384 0.000 1.019 48 N CA 0.745 53.565 53.050 -0.382 0.000 0.881 48 N CB -0.355 37.697 38.487 -0.723 0.000 0.972 48 N HN 0.396 nan 8.380 nan 0.000 0.435 49 A N 0.919 123.537 122.820 -0.337 0.000 2.540 49 A HA 0.107 4.426 4.320 -0.002 0.000 0.239 49 A C -0.193 177.282 177.584 -0.181 0.000 1.061 49 A CA 0.020 51.894 52.037 -0.272 0.000 0.758 49 A CB -0.116 18.802 19.000 -0.137 0.000 0.991 49 A HN 0.542 nan 8.150 nan 0.000 0.502 50 D N 1.493 121.773 120.400 -0.199 0.000 2.269 50 D HA 0.319 4.958 4.640 -0.002 0.000 0.244 50 D C -0.469 175.769 176.300 -0.103 0.000 0.992 50 D CA -0.734 53.182 54.000 -0.140 0.000 0.894 50 D CB 1.408 42.123 40.800 -0.142 0.000 1.248 50 D HN 0.446 nan 8.370 nan 0.000 0.468 51 K N 0.433 120.785 120.400 -0.079 0.000 2.570 51 K HA 0.139 4.458 4.320 -0.002 0.000 0.210 51 K C -0.237 176.280 176.600 -0.140 0.000 1.048 51 K CA -0.308 55.953 56.287 -0.044 0.000 1.167 51 K CB 0.651 33.149 32.500 -0.002 0.000 0.892 51 K HN 0.315 nan 8.250 nan 0.000 0.480 52 D N 0.867 121.088 120.400 -0.298 0.000 2.725 52 D HA 0.044 4.683 4.640 -0.002 0.000 0.269 52 D C 0.581 176.249 176.300 -1.053 0.000 1.018 52 D CA 0.274 53.858 54.000 -0.692 0.000 0.956 52 D CB 0.187 40.526 40.800 -0.769 0.000 1.141 52 D HN 0.164 nan 8.370 nan 0.000 0.478 53 A N 0.968 123.427 122.820 -0.601 0.000 2.462 53 A HA 0.295 4.614 4.320 -0.002 0.000 0.243 53 A C -0.416 177.193 177.584 0.042 0.000 1.076 53 A CA 0.183 52.109 52.037 -0.185 0.000 0.773 53 A CB -0.127 19.020 19.000 0.244 0.000 1.010 53 A HN 0.207 nan 8.150 nan 0.000 0.493 54 H N -0.283 119.015 119.070 0.380 0.000 2.615 54 H HA 0.679 5.234 4.556 -0.002 0.000 0.346 54 H C -0.711 174.878 175.328 0.435 0.000 1.200 54 H CA -0.762 55.545 56.048 0.433 0.000 1.264 54 H CB 1.639 31.651 29.762 0.417 0.000 1.699 54 H HN 0.602 nan 8.280 nan 0.000 0.567 55 L N 1.813 123.265 121.223 0.381 0.000 2.349 55 L HA 0.472 4.811 4.340 -0.002 0.000 0.278 55 L C -1.430 175.635 176.870 0.324 0.000 0.996 55 L CA -0.824 54.125 54.840 0.181 0.000 0.825 55 L CB 1.057 42.900 42.059 -0.359 0.000 1.243 55 L HN 0.372 nan 8.230 nan 0.000 0.412 56 V N 3.485 123.613 119.914 0.357 0.000 2.472 56 V HA 0.429 4.548 4.120 -0.002 0.000 0.290 56 V C 0.083 176.321 176.094 0.239 0.000 1.037 56 V CA -0.317 62.085 62.300 0.171 0.000 0.908 56 V CB 1.779 33.557 31.823 -0.074 0.000 0.985 56 V HN 0.784 nan 8.190 nan 0.000 0.454 57 S N 4.683 120.478 115.700 0.158 0.000 2.456 57 S HA 0.643 5.112 4.470 -0.002 0.000 0.316 57 S C -0.897 173.673 174.600 -0.050 0.000 1.089 57 S CA -0.556 57.703 58.200 0.098 0.000 1.101 57 S CB 0.677 63.918 63.200 0.068 0.000 0.995 57 S HN 0.461 nan 8.310 nan 0.000 0.468 58 L N 4.906 126.057 121.223 -0.119 0.000 2.314 58 L HA 0.474 4.813 4.340 -0.002 0.000 0.275 58 L C -0.224 176.409 176.870 -0.396 0.000 1.068 58 L CA 0.293 54.962 54.840 -0.285 0.000 0.894 58 L CB 0.720 42.505 42.059 -0.456 0.000 1.275 58 L HN 0.553 nan 8.230 nan 0.000 0.432 59 S N 1.593 117.102 115.700 -0.318 0.000 2.502 59 S HA 0.686 5.155 4.470 -0.002 0.000 0.304 59 S C 0.289 174.692 174.600 -0.329 0.000 1.097 59 S CA -0.729 57.239 58.200 -0.386 0.000 1.045 59 S CB 1.852 64.760 63.200 -0.487 0.000 1.019 59 S HN 0.529 nan 8.310 nan 0.000 0.481 60 A N 3.530 126.151 122.820 -0.331 0.000 2.990 60 A HA 0.329 4.648 4.320 -0.002 0.000 0.282 60 A C 1.019 178.356 177.584 -0.411 0.000 1.688 60 A CA -0.306 51.533 52.037 -0.330 0.000 1.391 60 A CB -0.995 17.870 19.000 -0.226 0.000 1.112 60 A HN 0.921 nan 8.150 nan 0.000 0.588 61 L N 0.234 121.189 121.223 -0.447 0.000 2.191 61 L HA -0.089 4.250 4.340 -0.002 0.000 0.212 61 L C 0.516 177.170 176.870 -0.360 0.000 1.103 61 L CA 0.713 55.340 54.840 -0.356 0.000 0.769 61 L CB -0.277 41.689 42.059 -0.155 0.000 0.908 61 L HN 0.544 nan 8.230 nan 0.000 0.438 62 N N -0.568 117.909 118.700 -0.371 0.000 2.342 62 N HA 0.150 4.889 4.740 -0.002 0.000 0.293 62 N C 0.531 175.843 175.510 -0.331 0.000 1.026 62 N CA -0.286 52.587 53.050 -0.295 0.000 0.857 62 N CB 1.984 40.390 38.487 -0.134 0.000 1.256 62 N HN -0.014 nan 8.380 nan 0.000 0.484 63 R N 0.977 121.278 120.500 -0.332 0.000 2.105 63 R HA -0.079 4.260 4.340 -0.002 0.000 0.239 63 R C -0.146 175.864 176.300 -0.482 0.000 1.135 63 R CA 1.362 57.212 56.100 -0.416 0.000 0.967 63 R CB 0.147 30.153 30.300 -0.490 0.000 0.861 63 R HN 0.562 nan 8.270 nan 0.000 0.442 64 H N -1.620 117.368 119.070 -0.136 0.000 2.621 64 H HA 0.171 4.726 4.556 -0.002 0.000 0.360 64 H C 0.582 175.801 175.328 -0.181 0.000 1.163 64 H CA -0.509 55.454 56.048 -0.143 0.000 1.194 64 H CB 2.230 31.924 29.762 -0.114 0.000 1.649 64 H HN -0.081 nan 8.280 nan 0.000 0.532 65 T N 1.089 115.594 114.554 -0.082 0.000 2.770 65 T HA -0.045 4.304 4.350 -0.002 0.000 0.263 65 T C 1.092 175.572 174.700 -0.366 0.000 1.039 65 T CA 1.180 63.150 62.100 -0.217 0.000 1.142 65 T CB 0.053 68.758 68.868 -0.273 0.000 0.868 65 T HN 0.657 nan 8.240 nan 0.000 0.435 66 S N -0.475 114.990 115.700 -0.391 0.000 2.687 66 S HA 0.554 5.023 4.470 -0.002 0.000 0.283 66 S C 1.290 175.802 174.600 -0.147 0.000 1.170 66 S CA -0.088 57.856 58.200 -0.426 0.000 1.008 66 S CB 1.278 64.258 63.200 -0.367 0.000 1.026 66 S HN 0.694 nan 8.310 nan 0.000 0.541 67 G N -0.541 108.222 108.800 -0.062 0.000 2.162 67 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.260 67 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.260 67 G C -0.027 174.874 174.900 0.002 0.000 0.976 67 G CA 0.049 45.153 45.100 0.007 0.000 0.655 67 G HN 1.205 nan 8.290 nan 0.000 0.533 68 V N 2.161 122.059 119.914 -0.026 0.000 2.405 68 V HA 0.331 4.450 4.120 -0.002 0.000 0.264 68 V C -1.347 174.720 176.094 -0.044 0.000 1.048 68 V CA -1.351 60.922 62.300 -0.046 0.000 0.966 68 V CB 1.060 32.856 31.823 -0.045 0.000 1.015 68 V HN 0.112 nan 8.190 nan 0.000 0.477 69 P HA 0.094 nan 4.420 nan 0.000 0.266 69 P C 0.869 178.133 177.300 -0.061 0.000 1.195 69 P CA 0.309 63.336 63.100 -0.123 0.000 0.768 69 P CB 0.630 32.102 31.700 -0.381 0.000 0.838 70 S N 1.396 117.078 115.700 -0.029 0.000 2.382 70 S HA -0.159 4.310 4.470 -0.002 0.000 0.228 70 S C 0.861 175.470 174.600 0.015 0.000 1.027 70 S CA 1.417 59.607 58.200 -0.015 0.000 0.991 70 S CB -0.292 62.923 63.200 0.025 0.000 0.823 70 S HN 0.599 nan 8.310 nan 0.000 0.469 71 Q N -0.258 119.566 119.800 0.041 0.000 2.088 71 Q HA 0.451 4.790 4.340 -0.002 0.000 0.270 71 Q C 0.115 176.166 176.000 0.085 0.000 0.854 71 Q CA -0.152 55.702 55.803 0.085 0.000 1.104 71 Q CB 1.371 30.200 28.738 0.152 0.000 1.251 71 Q HN 0.428 nan 8.270 nan 0.000 0.436 72 G N 0.595 109.421 108.800 0.044 0.000 2.525 72 G HA2 0.235 4.194 3.960 -0.002 0.000 0.685 72 G HA3 0.235 4.194 3.960 -0.002 0.000 0.685 72 G C -1.390 173.512 174.900 0.004 0.000 1.290 72 G CA -0.555 44.584 45.100 0.066 0.000 0.915 72 G HN 0.488 nan 8.290 nan 0.000 0.548 73 A N -0.393 122.450 122.820 0.038 0.000 2.608 73 A HA 0.901 5.221 4.320 -0.002 0.000 0.292 73 A C -2.852 174.781 177.584 0.081 0.000 1.066 73 A CA -0.401 51.623 52.037 -0.020 0.000 0.676 73 A CB 2.131 21.064 19.000 -0.112 0.000 1.277 73 A HN 1.019 nan 8.150 nan 0.000 0.413 74 P HA 0.302 nan 4.420 nan 0.000 0.225 74 P C -0.832 176.534 177.300 0.109 0.000 1.768 74 P CA 0.290 63.469 63.100 0.132 0.000 0.943 74 P CB -0.270 31.494 31.700 0.106 0.000 1.936 75 V N 2.608 122.580 119.914 0.097 0.000 2.524 75 V HA 0.131 4.251 4.120 -0.002 0.000 0.297 75 V C 0.961 177.110 176.094 0.091 0.000 1.035 75 V CA -0.537 61.814 62.300 0.085 0.000 0.867 75 V CB 1.474 33.322 31.823 0.041 0.000 1.004 75 V HN 0.071 nan 8.190 nan 0.000 0.426 76 F N 5.225 125.129 119.950 -0.076 0.000 2.075 76 F HA -0.057 4.469 4.527 -0.002 0.000 0.297 76 F C 0.968 176.703 175.800 -0.109 0.000 1.113 76 F CA 1.269 59.165 58.000 -0.173 0.000 1.218 76 F CB -0.208 38.704 39.000 -0.147 0.000 0.984 76 F HN 0.482 nan 8.300 nan 0.000 0.472 77 Y N 2.537 122.669 120.300 -0.280 0.000 2.573 77 Y HA 0.336 4.885 4.550 -0.001 0.000 0.346 77 Y C -0.304 175.583 175.900 -0.022 0.000 1.198 77 Y CA -0.378 57.536 58.100 -0.309 0.000 1.627 77 Y CB -0.901 37.382 38.460 -0.295 0.000 1.457 77 Y HN 0.143 nan 8.280 nan 0.000 0.483 78 E N 2.824 122.836 120.200 -0.314 0.000 2.369 78 E HA 0.254 4.603 4.350 -0.002 0.000 0.270 78 E C -1.234 174.911 176.600 -0.757 0.000 0.909 78 E CA -0.888 55.267 56.400 -0.407 0.000 0.775 78 E CB 0.887 30.440 29.700 -0.245 0.000 1.270 78 E HN 0.351 nan 8.360 nan 0.000 0.445 79 N N 1.575 119.500 118.700 -1.292 0.000 2.498 79 N HA -0.004 4.735 4.740 -0.002 0.000 0.277 79 N C -0.609 174.728 175.510 -0.288 0.000 1.208 79 N CA 0.305 52.588 53.050 -1.279 0.000 1.029 79 N CB -0.183 37.459 38.487 -1.409 0.000 1.403 79 N HN 0.426 nan 8.380 nan 0.000 0.500 80 T N 2.942 117.572 114.554 0.127 0.000 3.419 80 T HA 0.106 4.456 4.350 -0.002 0.000 0.228 80 T C 0.335 175.223 174.700 0.313 0.000 0.939 80 T CA -0.806 61.455 62.100 0.269 0.000 0.992 80 T CB -1.324 67.705 68.868 0.269 0.000 1.186 80 T HN 0.256 nan 8.240 nan 0.000 0.612 81 F N 3.340 123.323 119.950 0.055 0.000 2.579 81 F HA 0.193 4.719 4.527 -0.002 0.000 0.397 81 F C 1.106 176.687 175.800 -0.366 0.000 1.027 81 F CA 0.607 58.474 58.000 -0.223 0.000 1.217 81 F CB 0.629 39.353 39.000 -0.460 0.000 0.986 81 F HN 0.473 nan 8.300 nan 0.000 0.551 82 S N 4.027 119.032 115.700 -1.158 0.000 2.730 82 S HA 0.171 4.640 4.470 -0.002 0.000 0.244 82 S C -0.068 173.702 174.600 -1.383 0.000 1.022 82 S CA -0.296 57.311 58.200 -0.988 0.000 1.014 82 S CB -0.602 62.223 63.200 -0.626 0.000 0.963 82 S HN 0.662 nan 8.310 nan 0.000 0.540 83 Y N 0.903 119.922 120.300 -2.135 0.000 2.756 83 Y HA 0.388 4.937 4.550 -0.002 0.000 0.300 83 Y C 0.593 175.687 175.900 -1.343 0.000 1.113 83 Y CA -1.338 55.750 58.100 -1.686 0.000 1.291 83 Y CB -0.639 36.702 38.460 -1.865 0.000 1.175 83 Y HN 0.331 nan 8.280 nan 0.000 0.534 84 W N -0.284 120.574 121.300 -0.737 0.000 2.321 84 W HA -0.293 4.367 4.660 -0.002 0.000 0.285 84 W C 2.498 178.920 176.519 -0.162 0.000 1.213 84 W CA 1.722 58.946 57.345 -0.202 0.000 1.205 84 W CB -0.490 28.916 29.460 -0.089 0.000 1.134 84 W HN 0.416 nan 8.180 nan 0.000 0.549 85 H N -2.745 116.255 119.070 -0.116 0.000 2.491 85 H HA -0.125 4.430 4.556 -0.002 0.000 0.290 85 H C 0.891 176.093 175.328 -0.211 0.000 1.050 85 H CA 1.184 57.098 56.048 -0.224 0.000 1.309 85 H CB -1.084 28.420 29.762 -0.429 0.000 1.392 85 H HN 0.237 nan 8.280 nan 0.000 0.554 86 Y N 1.806 122.017 120.300 -0.149 0.000 2.457 86 Y HA 0.237 4.786 4.550 -0.002 0.000 0.263 86 Y C 0.596 176.597 175.900 0.168 0.000 1.164 86 Y CA -0.164 58.002 58.100 0.109 0.000 1.274 86 Y CB 0.505 39.136 38.460 0.285 0.000 1.097 86 Y HN 0.045 nan 8.280 nan 0.000 0.523 87 T N 0.529 115.231 114.554 0.246 0.000 2.824 87 T HA 0.170 4.520 4.350 -0.002 0.000 0.280 87 T C 0.391 175.236 174.700 0.242 0.000 0.995 87 T CA -0.554 61.710 62.100 0.273 0.000 1.009 87 T CB 1.580 70.624 68.868 0.292 0.000 0.955 87 T HN 0.175 nan 8.240 nan 0.000 0.452 88 D N 0.943 121.478 120.400 0.225 0.000 2.380 88 D HA 0.169 4.808 4.640 -0.002 0.000 0.212 88 D C -0.086 176.294 176.300 0.132 0.000 1.021 88 D CA 0.260 54.372 54.000 0.187 0.000 0.884 88 D CB 0.731 41.661 40.800 0.217 0.000 1.001 88 D HN 0.136 nan 8.370 nan 0.000 0.506 89 L N 0.917 122.217 121.223 0.129 0.000 2.493 89 L HA 0.389 4.728 4.340 -0.002 0.000 0.265 89 L C -1.708 175.221 176.870 0.098 0.000 0.954 89 L CA -0.628 54.245 54.840 0.056 0.000 0.844 89 L CB 2.266 44.260 42.059 -0.108 0.000 1.302 89 L HN -0.245 nan 8.230 nan 0.000 0.405 90 M N 5.085 124.761 119.600 0.127 0.000 2.227 90 M HA 0.677 5.156 4.480 -0.002 0.000 0.335 90 M C -1.735 174.606 176.300 0.068 0.000 1.053 90 M CA -0.398 54.974 55.300 0.119 0.000 0.973 90 M CB 1.598 34.356 32.600 0.263 0.000 1.623 90 M HN 0.234 nan 8.290 nan 0.000 0.434 91 V N 6.186 126.100 119.914 -0.000 0.000 2.357 91 V HA 0.252 4.371 4.120 -0.002 0.000 0.284 91 V C -0.996 175.090 176.094 -0.013 0.000 1.018 91 V CA -0.695 61.590 62.300 -0.025 0.000 0.841 91 V CB 0.933 32.636 31.823 -0.200 0.000 0.991 91 V HN 0.776 nan 8.190 nan 0.000 0.437 92 Y N 5.467 125.699 120.300 -0.113 0.000 2.697 92 Y HA 0.029 4.578 4.550 -0.002 0.000 0.349 92 Y C 0.271 176.106 175.900 -0.107 0.000 1.120 92 Y CA 0.126 58.145 58.100 -0.134 0.000 1.468 92 Y CB 0.231 38.562 38.460 -0.216 0.000 1.182 92 Y HN 0.736 nan 8.280 nan 0.000 0.525 93 W N 8.220 129.187 121.300 -0.555 0.000 2.437 93 W HA 0.531 5.190 4.660 -0.001 0.000 0.312 93 W C -1.181 175.014 176.519 -0.539 0.000 1.242 93 W CA -0.119 56.929 57.345 -0.495 0.000 1.340 93 W CB 0.461 29.633 29.460 -0.481 0.000 1.327 93 W HN 0.746 nan 8.180 nan 0.000 0.476 94 A N 4.081 126.408 122.820 -0.822 0.000 2.540 94 A HA 0.790 5.109 4.320 -0.002 0.000 0.291 94 A C -0.357 176.917 177.584 -0.517 0.000 1.083 94 A CA -0.074 51.618 52.037 -0.574 0.000 0.650 94 A CB 0.829 19.654 19.000 -0.292 0.000 1.292 94 A HN 1.428 nan 8.150 nan 0.000 0.435 95 G N -0.962 107.662 108.800 -0.293 0.000 2.742 95 G HA2 0.627 4.586 3.960 -0.002 0.000 0.686 95 G HA3 0.627 4.586 3.960 -0.002 0.000 0.686 95 G C -0.489 174.450 174.900 0.064 0.000 1.220 95 G CA 0.286 45.320 45.100 -0.110 0.000 0.783 95 G HN 2.825 nan 8.290 nan 0.000 0.646 96 S N -0.170 115.585 115.700 0.091 0.000 2.587 96 S HA 0.897 5.366 4.470 -0.002 0.000 0.269 96 S C 1.062 175.735 174.600 0.122 0.000 1.154 96 S CA 0.334 58.642 58.200 0.180 0.000 0.824 96 S CB 1.272 64.536 63.200 0.107 0.000 1.118 96 S HN 2.429 nan 8.310 nan 0.000 0.462 97 A N 0.878 123.852 122.820 0.257 0.000 2.015 97 A HA 0.291 4.610 4.320 -0.002 0.000 0.219 97 A C 1.891 179.773 177.584 0.497 0.000 1.163 97 A CA 1.722 54.030 52.037 0.451 0.000 0.646 97 A CB -1.380 17.925 19.000 0.509 0.000 0.806 97 A HN 1.470 nan 8.150 nan 0.000 0.448 98 G N -1.277 107.718 108.800 0.325 0.000 2.683 98 G HA2 0.108 4.068 3.960 -0.002 0.000 0.213 98 G HA3 0.108 4.068 3.960 -0.002 0.000 0.213 98 G C 1.291 176.371 174.900 0.300 0.000 1.142 98 G CA 0.758 46.038 45.100 0.300 0.000 0.793 98 G HN 0.598 nan 8.290 nan 0.000 0.534 99 E N -1.286 119.005 120.200 0.150 0.000 2.367 99 E HA 0.398 4.747 4.350 -0.002 0.000 0.204 99 E C 0.790 177.239 176.600 -0.251 0.000 0.840 99 E CA 0.390 56.791 56.400 0.002 0.000 1.051 99 E CB 1.258 30.874 29.700 -0.141 0.000 1.051 99 E HN 0.324 nan 8.360 nan 0.000 0.509 100 G N 1.111 109.476 108.800 -0.725 0.000 2.306 100 G HA2 0.036 3.995 3.960 -0.002 0.000 0.340 100 G HA3 0.036 3.995 3.960 -0.002 0.000 0.340 100 G C -0.133 174.373 174.900 -0.657 0.000 1.630 100 G CA -0.509 43.865 45.100 -1.211 0.000 0.937 100 G HN 0.153 nan 8.290 nan 0.000 0.693 101 I N -1.462 118.713 120.570 -0.658 0.000 4.070 101 I HA 0.557 4.726 4.170 -0.002 0.000 0.328 101 I C 0.252 176.233 176.117 -0.227 0.000 1.298 101 I CA -0.047 61.027 61.300 -0.377 0.000 1.173 101 I CB 0.356 38.072 38.000 -0.472 0.000 1.051 101 I HN 0.220 nan 8.210 nan 0.000 0.409 102 I N 2.799 123.279 120.570 -0.150 0.000 2.330 102 I HA 0.452 4.621 4.170 -0.002 0.000 0.289 102 I C -0.757 175.467 176.117 0.178 0.000 1.001 102 I CA -0.891 60.450 61.300 0.069 0.000 1.193 102 I CB 1.965 40.040 38.000 0.125 0.000 1.345 102 I HN -0.045 nan 8.210 nan 0.000 0.461 103 V N 9.123 129.195 119.914 0.264 0.000 2.567 103 V HA 0.612 4.731 4.120 -0.002 0.000 0.298 103 V C -2.521 173.619 176.094 0.078 0.000 1.047 103 V CA -1.825 60.542 62.300 0.112 0.000 0.880 103 V CB 2.414 34.244 31.823 0.012 0.000 1.009 103 V HN 0.476 nan 8.190 nan 0.000 0.429 104 P HA 0.461 nan 4.420 nan 0.000 0.276 104 P C -2.956 173.733 177.300 -1.017 0.000 1.244 104 P CA -2.033 60.715 63.100 -0.587 0.000 0.801 104 P CB 0.263 31.903 31.700 -0.101 0.000 1.006 105 P HA 0.058 nan 4.420 nan 0.000 0.272 105 P C 0.039 176.743 177.300 -0.994 0.000 1.223 105 P CA 0.039 62.176 63.100 -1.605 0.000 0.784 105 P CB 0.079 31.213 31.700 -0.944 0.000 0.923 106 S N 1.009 116.225 115.700 -0.808 0.000 2.585 106 S HA 0.313 4.782 4.470 -0.002 0.000 0.273 106 S C 1.483 175.909 174.600 -0.290 0.000 1.339 106 S CA -0.033 57.925 58.200 -0.404 0.000 1.028 106 S CB 0.531 63.606 63.200 -0.208 0.000 0.906 106 S HN 0.523 nan 8.310 nan 0.000 0.528 107 A N 2.070 124.758 122.820 -0.220 0.000 1.940 107 A HA -0.178 4.142 4.320 -0.002 0.000 0.219 107 A C 1.904 179.433 177.584 -0.090 0.000 1.176 107 A CA 1.768 53.717 52.037 -0.148 0.000 0.631 107 A CB -1.149 17.799 19.000 -0.085 0.000 0.814 107 A HN 0.998 nan 8.150 nan 0.000 0.446 108 D N 0.001 120.373 120.400 -0.048 0.000 2.123 108 D HA -0.126 4.513 4.640 -0.002 0.000 0.196 108 D C 1.691 177.990 176.300 -0.002 0.000 0.992 108 D CA 1.650 55.652 54.000 0.004 0.000 0.833 108 D CB -0.996 39.827 40.800 0.039 0.000 0.954 108 D HN 0.248 nan 8.370 nan 0.000 0.455 109 V N 0.695 120.600 119.914 -0.015 0.000 2.488 109 V HA -0.101 4.019 4.120 -0.002 0.000 0.246 109 V C 2.670 178.718 176.094 -0.076 0.000 1.046 109 V CA 0.766 63.090 62.300 0.041 0.000 1.053 109 V CB -0.348 31.540 31.823 0.109 0.000 0.679 109 V HN 0.173 nan 8.190 nan 0.000 0.458 110 I N 0.169 120.624 120.570 -0.191 0.000 2.163 110 I HA -0.249 3.920 4.170 -0.002 0.000 0.243 110 I C 2.306 178.176 176.117 -0.411 0.000 1.085 110 I CA 1.669 62.753 61.300 -0.360 0.000 1.347 110 I CB -0.541 37.239 38.000 -0.366 0.000 1.044 110 I HN 0.309 nan 8.210 nan 0.000 0.408 111 D N 1.236 121.500 120.400 -0.226 0.000 2.092 111 D HA -0.192 4.447 4.640 -0.002 0.000 0.193 111 D C 2.271 178.469 176.300 -0.170 0.000 0.994 111 D CA 1.821 55.742 54.000 -0.132 0.000 0.828 111 D CB -0.376 40.396 40.800 -0.047 0.000 0.963 111 D HN 0.358 nan 8.370 nan 0.000 0.450 112 A N 0.398 123.097 122.820 -0.203 0.000 1.883 112 A HA -0.218 4.101 4.320 -0.002 0.000 0.217 112 A C 2.377 179.420 177.584 -0.903 0.000 1.186 112 A CA 2.401 54.218 52.037 -0.367 0.000 0.624 112 A CB -0.983 17.945 19.000 -0.121 0.000 0.822 112 A HN 0.226 nan 8.150 nan 0.000 0.444 113 S N -1.286 113.830 115.700 -0.974 0.000 2.359 113 S HA -0.239 4.230 4.470 -0.002 0.000 0.224 113 S C 1.881 176.269 174.600 -0.352 0.000 1.035 113 S CA 1.739 59.359 58.200 -0.966 0.000 1.018 113 S CB -0.586 62.423 63.200 -0.318 0.000 0.876 113 S HN 0.778 nan 8.310 nan 0.000 0.448 114 H N 0.060 118.956 119.070 -0.289 0.000 2.387 114 H HA 0.042 4.597 4.556 -0.002 0.000 0.299 114 H C 2.554 177.795 175.328 -0.145 0.000 1.090 114 H CA 1.003 56.960 56.048 -0.153 0.000 1.332 114 H CB 0.034 29.746 29.762 -0.084 0.000 1.386 114 H HN 0.295 nan 8.280 nan 0.000 0.516 115 R N 0.587 121.051 120.500 -0.060 0.000 2.127 115 R HA -0.096 4.243 4.340 -0.002 0.000 0.238 115 R C 1.177 177.432 176.300 -0.076 0.000 1.134 115 R CA 1.030 57.094 56.100 -0.058 0.000 0.975 115 R CB -0.027 30.232 30.300 -0.068 0.000 0.865 115 R HN 0.458 nan 8.270 nan 0.000 0.447 116 N N -0.494 118.104 118.700 -0.170 0.000 2.270 116 N HA 0.024 4.763 4.740 -0.002 0.000 0.198 116 N C 0.611 176.106 175.510 -0.025 0.000 1.117 116 N CA 0.763 53.752 53.050 -0.102 0.000 0.845 116 N CB 1.355 39.745 38.487 -0.161 0.000 0.980 116 N HN 0.342 nan 8.380 nan 0.000 0.486 117 G N 0.863 109.645 108.800 -0.031 0.000 2.160 117 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.251 117 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.251 117 G C -0.072 174.849 174.900 0.035 0.000 1.008 117 G CA 0.059 45.154 45.100 -0.008 0.000 0.724 117 G HN 0.181 nan 8.290 nan 0.000 0.514 118 V N 1.657 121.612 119.914 0.068 0.000 2.350 118 V HA 0.420 4.539 4.120 -0.002 0.000 0.276 118 V C -1.628 174.568 176.094 0.170 0.000 1.028 118 V CA -1.738 60.652 62.300 0.150 0.000 0.860 118 V CB 1.669 33.667 31.823 0.292 0.000 0.990 118 V HN 0.100 nan 8.190 nan 0.000 0.453 119 P HA 0.290 nan 4.420 nan 0.000 0.268 119 P C -0.538 176.872 177.300 0.183 0.000 1.205 119 P CA 0.081 63.279 63.100 0.164 0.000 0.771 119 P CB 0.801 32.561 31.700 0.101 0.000 0.858 120 I N 3.193 123.889 120.570 0.210 0.000 2.465 120 I HA 0.366 4.535 4.170 -0.002 0.000 0.291 120 I C -1.211 174.975 176.117 0.115 0.000 1.014 120 I CA -1.042 60.340 61.300 0.137 0.000 1.093 120 I CB 1.018 39.061 38.000 0.072 0.000 1.267 120 I HN 0.098 nan 8.210 nan 0.000 0.431 121 L N 6.830 128.095 121.223 0.070 0.000 2.334 121 L HA 0.665 5.004 4.340 -0.002 0.000 0.276 121 L C 0.730 177.518 176.870 -0.136 0.000 1.014 121 L CA -0.761 54.114 54.840 0.058 0.000 0.815 121 L CB 1.500 43.680 42.059 0.203 0.000 1.268 121 L HN 0.631 nan 8.230 nan 0.000 0.428 122 G N 0.629 109.169 108.800 -0.433 0.000 2.621 122 G HA2 0.125 4.084 3.960 -0.002 0.000 0.271 122 G HA3 0.125 4.084 3.960 -0.002 0.000 0.271 122 G C -0.718 174.295 174.900 0.188 0.000 1.236 122 G CA -0.379 44.395 45.100 -0.543 0.000 0.958 122 G HN 0.587 nan 8.290 nan 0.000 0.512 123 N N -0.923 118.004 118.700 0.380 0.000 2.354 123 N HA 0.401 5.140 4.740 -0.002 0.000 0.287 123 N C -1.282 174.486 175.510 0.431 0.000 1.016 123 N CA -0.339 52.956 53.050 0.408 0.000 0.871 123 N CB 2.150 40.691 38.487 0.090 0.000 1.299 123 N HN 0.101 nan 8.380 nan 0.000 0.482 124 V N 4.553 124.674 119.914 0.344 0.000 2.350 124 V HA 0.423 4.542 4.120 -0.002 0.000 0.285 124 V C -0.799 175.229 176.094 -0.110 0.000 1.014 124 V CA -0.740 61.571 62.300 0.019 0.000 0.831 124 V CB 0.603 32.404 31.823 -0.037 0.000 1.000 124 V HN 0.498 nan 8.190 nan 0.000 0.433 125 F N 6.734 126.415 119.950 -0.448 0.000 2.434 125 F HA 0.666 5.192 4.527 -0.001 0.000 0.355 125 F C -0.947 174.614 175.800 -0.400 0.000 1.115 125 F CA -1.980 55.805 58.000 -0.359 0.000 1.010 125 F CB 1.151 39.974 39.000 -0.294 0.000 1.234 125 F HN 0.355 nan 8.300 nan 0.000 0.439 126 F N 7.608 127.427 119.950 -0.217 0.000 2.334 126 F HA 0.436 4.962 4.527 -0.002 0.000 0.365 126 F C -2.174 173.305 175.800 -0.534 0.000 1.124 126 F CA -2.727 55.124 58.000 -0.249 0.000 1.166 126 F CB 0.139 39.109 39.000 -0.050 0.000 1.355 126 F HN 0.315 nan 8.300 nan 0.000 0.532 127 P HA 0.115 nan 4.420 nan 0.000 0.270 127 P C -2.521 174.746 177.300 -0.055 0.000 1.223 127 P CA -1.226 61.479 63.100 -0.658 0.000 0.785 127 P CB 0.073 31.594 31.700 -0.298 0.000 0.923 128 P HA -0.018 nan 4.420 nan 0.000 0.269 128 P C 1.055 178.390 177.300 0.058 0.000 1.215 128 P CA 0.285 63.461 63.100 0.127 0.000 0.780 128 P CB -0.100 31.711 31.700 0.185 0.000 0.898 129 T N -1.754 112.801 114.554 0.002 0.000 2.962 129 T HA -0.132 4.217 4.350 -0.002 0.000 0.270 129 T C 1.593 176.258 174.700 -0.057 0.000 1.088 129 T CA 1.125 63.208 62.100 -0.029 0.000 1.127 129 T CB -1.016 67.825 68.868 -0.046 0.000 0.883 129 T HN 0.243 nan 8.240 nan 0.000 0.493 130 V N -0.024 119.799 119.914 -0.152 0.000 2.759 130 V HA -0.001 4.118 4.120 -0.002 0.000 0.256 130 V C 0.981 176.919 176.094 -0.259 0.000 1.080 130 V CA 0.880 63.018 62.300 -0.270 0.000 1.101 130 V CB -0.902 30.673 31.823 -0.412 0.000 0.698 130 V HN 0.610 nan 8.190 nan 0.000 0.477 131 Y N 0.887 121.254 120.300 0.112 0.000 2.658 131 Y HA 0.629 5.178 4.550 -0.002 0.000 0.276 131 Y C 1.633 177.616 175.900 0.138 0.000 1.167 131 Y CA -0.671 57.510 58.100 0.134 0.000 1.230 131 Y CB 0.126 38.694 38.460 0.181 0.000 1.144 131 Y HN 0.311 nan 8.280 nan 0.000 0.529 132 G N -0.558 108.357 108.800 0.190 0.000 2.157 132 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.239 132 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.239 132 G C 0.751 175.725 174.900 0.122 0.000 0.982 132 G CA -0.197 44.995 45.100 0.154 0.000 0.650 132 G HN 0.778 nan 8.290 nan 0.000 0.527 133 G N -0.694 108.173 108.800 0.112 0.000 2.554 133 G HA2 0.471 4.430 3.960 -0.002 0.000 0.238 133 G HA3 0.471 4.430 3.960 -0.002 0.000 0.238 133 G C -0.147 174.633 174.900 -0.200 0.000 1.259 133 G CA 0.209 45.352 45.100 0.072 0.000 0.843 133 G HN 0.373 nan 8.290 nan 0.000 0.582 134 Q N 1.128 120.698 119.800 -0.384 0.000 2.285 134 Q HA 0.243 4.582 4.340 -0.002 0.000 0.269 134 Q C 1.117 176.937 176.000 -0.301 0.000 1.030 134 Q CA -0.758 54.697 55.803 -0.580 0.000 0.788 134 Q CB 2.209 30.159 28.738 -1.313 0.000 1.266 134 Q HN 0.492 nan 8.270 nan 0.000 0.438 135 L N 1.167 122.263 121.223 -0.213 0.000 2.127 135 L HA -0.235 4.104 4.340 -0.002 0.000 0.211 135 L C 2.187 178.988 176.870 -0.115 0.000 1.089 135 L CA 1.482 56.241 54.840 -0.135 0.000 0.757 135 L CB 0.095 42.084 42.059 -0.117 0.000 0.899 135 L HN 0.787 nan 8.230 nan 0.000 0.434 136 E N -0.326 119.770 120.200 -0.174 0.000 2.070 136 E HA -0.271 4.078 4.350 -0.002 0.000 0.197 136 E C 2.067 178.709 176.600 0.071 0.000 1.004 136 E CA 1.722 58.062 56.400 -0.101 0.000 0.805 136 E CB -0.102 29.491 29.700 -0.179 0.000 0.744 136 E HN 0.434 nan 8.360 nan 0.000 0.451 137 W N 0.486 121.822 121.300 0.061 0.000 2.342 137 W HA -0.182 4.477 4.660 -0.002 0.000 0.297 137 W C 2.256 178.863 176.519 0.146 0.000 1.213 137 W CA 0.492 57.928 57.345 0.151 0.000 1.251 137 W CB -1.255 28.354 29.460 0.249 0.000 1.136 137 W HN 0.282 nan 8.180 nan 0.000 0.526 138 L N 1.016 122.346 121.223 0.179 0.000 2.056 138 L HA -0.120 4.219 4.340 -0.002 0.000 0.207 138 L C 2.247 179.017 176.870 -0.167 0.000 1.078 138 L CA 2.004 56.674 54.840 -0.284 0.000 0.749 138 L CB -0.946 40.803 42.059 -0.516 0.000 0.901 138 L HN -0.229 nan 8.230 nan 0.000 0.433 139 E N -0.275 119.883 120.200 -0.070 0.000 2.110 139 E HA -0.248 4.101 4.350 -0.002 0.000 0.193 139 E C 2.146 178.747 176.600 0.002 0.000 0.988 139 E CA 1.321 57.694 56.400 -0.046 0.000 0.804 139 E CB -0.246 29.433 29.700 -0.034 0.000 0.745 139 E HN 0.677 nan 8.360 nan 0.000 0.458 140 Q N -0.339 119.502 119.800 0.067 0.000 2.050 140 Q HA -0.073 4.266 4.340 -0.002 0.000 0.202 140 Q C 2.165 178.215 176.000 0.083 0.000 0.980 140 Q CA 1.166 57.027 55.803 0.097 0.000 0.840 140 Q CB -0.077 28.763 28.738 0.171 0.000 0.898 140 Q HN 0.200 nan 8.270 nan 0.000 0.424 141 M N -0.010 119.642 119.600 0.086 0.000 2.279 141 M HA -0.093 4.386 4.480 -0.002 0.000 0.264 141 M C 1.621 177.888 176.300 -0.054 0.000 1.062 141 M CA 1.291 56.614 55.300 0.039 0.000 1.099 141 M CB -0.354 32.288 32.600 0.070 0.000 1.394 141 M HN 0.240 nan 8.290 nan 0.000 0.426 142 L N -0.660 120.511 121.223 -0.088 0.000 2.628 142 L HA 0.112 4.451 4.340 -0.002 0.000 0.229 142 L C 0.327 177.216 176.870 0.031 0.000 1.137 142 L CA -0.289 54.523 54.840 -0.046 0.000 0.909 142 L CB -0.236 41.754 42.059 -0.114 0.000 1.137 142 L HN 0.184 nan 8.230 nan 0.000 0.470 143 E N 1.546 121.768 120.200 0.038 0.000 2.465 143 E HA 0.019 4.368 4.350 -0.002 0.000 0.260 143 E C -0.078 176.529 176.600 0.011 0.000 0.980 143 E CA 0.530 56.943 56.400 0.023 0.000 0.927 143 E CB 0.587 30.303 29.700 0.026 0.000 0.934 143 E HN 0.185 nan 8.360 nan 0.000 0.459 144 Q N 2.127 121.917 119.800 -0.017 0.000 2.433 144 Q HA 0.345 4.684 4.340 -0.002 0.000 0.279 144 Q C -0.998 174.971 176.000 -0.052 0.000 1.105 144 Q CA -0.632 55.138 55.803 -0.054 0.000 0.815 144 Q CB 1.674 30.379 28.738 -0.056 0.000 1.403 144 Q HN 0.499 nan 8.270 nan 0.000 0.435 152 L N 0.141 121.422 121.223 0.097 0.000 2.341 152 L HA 0.243 4.582 4.340 -0.002 0.000 0.214 152 L C 2.134 179.085 176.870 0.135 0.000 1.115 152 L CA 1.562 56.468 54.840 0.112 0.000 0.820 152 L CB -0.615 41.531 42.059 0.146 0.000 0.944 152 L HN 0.118 nan 8.230 nan 0.000 0.452 153 A N -0.273 122.628 122.820 0.136 0.000 1.898 153 A HA -0.190 4.129 4.320 -0.002 0.000 0.216 153 A C 1.984 179.562 177.584 -0.011 0.000 1.181 153 A CA 1.707 53.682 52.037 -0.104 0.000 0.620 153 A CB -0.486 18.267 19.000 -0.412 0.000 0.819 153 A HN 0.332 nan 8.150 nan 0.000 0.442 154 D N 0.057 120.510 120.400 0.089 0.000 2.123 154 D HA -0.140 4.499 4.640 -0.002 0.000 0.196 154 D C 1.827 178.138 176.300 0.018 0.000 0.992 154 D CA 1.147 55.187 54.000 0.067 0.000 0.833 154 D CB -0.147 40.707 40.800 0.090 0.000 0.954 154 D HN 0.271 nan 8.370 nan 0.000 0.455 155 K N 0.112 120.510 120.400 -0.004 0.000 2.103 155 K HA -0.046 4.273 4.320 -0.002 0.000 0.204 155 K C 2.119 178.667 176.600 -0.087 0.000 1.052 155 K CA 0.105 56.367 56.287 -0.042 0.000 0.945 155 K CB -0.392 32.059 32.500 -0.081 0.000 0.722 155 K HN 0.127 nan 8.250 nan 0.000 0.443 156 L N 1.214 122.351 121.223 -0.143 0.000 2.012 156 L HA -0.134 4.205 4.340 -0.002 0.000 0.210 156 L C 2.274 179.218 176.870 0.124 0.000 1.073 156 L CA 1.446 56.128 54.840 -0.264 0.000 0.748 156 L CB -0.777 40.924 42.059 -0.597 0.000 0.891 156 L HN 0.096 nan 8.230 nan 0.000 0.431 157 L N -1.171 120.096 121.223 0.072 0.000 2.141 157 L HA -0.194 4.146 4.340 -0.002 0.000 0.209 157 L C 2.476 179.397 176.870 0.085 0.000 1.094 157 L CA 1.073 55.980 54.840 0.112 0.000 0.763 157 L CB -0.460 41.614 42.059 0.025 0.000 0.908 157 L HN 0.416 nan 8.230 nan 0.000 0.437 158 E N 0.376 120.620 120.200 0.072 0.000 2.047 158 E HA -0.180 4.169 4.350 -0.002 0.000 0.191 158 E C 2.259 178.933 176.600 0.124 0.000 0.987 158 E CA 1.371 57.826 56.400 0.091 0.000 0.799 158 E CB 0.152 29.910 29.700 0.095 0.000 0.752 158 E HN 0.218 nan 8.360 nan 0.000 0.449 159 V N 1.556 121.528 119.914 0.098 0.000 2.255 159 V HA -0.320 3.799 4.120 -0.002 0.000 0.247 159 V C 2.536 178.609 176.094 -0.035 0.000 1.051 159 V CA 2.038 64.351 62.300 0.021 0.000 1.018 159 V CB -0.936 30.982 31.823 0.159 0.000 0.641 159 V HN 0.465 nan 8.190 nan 0.000 0.445 160 A N -0.060 122.641 122.820 -0.198 0.000 1.908 160 A HA -0.326 3.993 4.320 -0.002 0.000 0.218 160 A C 2.042 179.353 177.584 -0.456 0.000 1.181 160 A CA 2.372 53.828 52.037 -0.969 0.000 0.627 160 A CB -0.731 17.884 19.000 -0.643 0.000 0.818 160 A HN 0.666 nan 8.150 nan 0.000 0.445 161 D N -2.336 117.984 120.400 -0.134 0.000 2.097 161 D HA -0.192 4.447 4.640 -0.002 0.000 0.197 161 D C 1.779 178.105 176.300 0.043 0.000 0.984 161 D CA 1.461 55.445 54.000 -0.028 0.000 0.826 161 D CB -0.245 40.570 40.800 0.026 0.000 0.973 161 D HN 0.482 nan 8.370 nan 0.000 0.460 162 Y N -0.568 119.722 120.300 -0.017 0.000 2.163 162 Y HA -0.183 4.366 4.550 -0.002 0.000 0.288 162 Y C 1.606 177.601 175.900 0.157 0.000 1.136 162 Y CA 1.530 59.658 58.100 0.047 0.000 1.147 162 Y CB -0.365 38.133 38.460 0.063 0.000 0.987 162 Y HN 0.054 nan 8.280 nan 0.000 0.509 163 Y N 0.150 120.565 120.300 0.193 0.000 2.439 163 Y HA 0.189 4.738 4.550 -0.001 0.000 0.292 163 Y C 1.892 177.817 175.900 0.041 0.000 1.130 163 Y CA 0.442 58.626 58.100 0.140 0.000 1.254 163 Y CB -0.744 37.963 38.460 0.412 0.000 1.000 163 Y HN 0.237 nan 8.280 nan 0.000 0.554 164 G N 0.620 109.495 108.800 0.126 0.000 2.370 164 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.268 164 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.268 164 G C -0.277 174.742 174.900 0.199 0.000 1.122 164 G CA 0.145 45.292 45.100 0.079 0.000 0.963 164 G HN 0.360 nan 8.290 nan 0.000 0.500 165 F N -2.219 117.767 119.950 0.060 0.000 2.661 165 F HA 0.829 5.355 4.527 -0.002 0.000 0.347 165 F C 0.240 176.063 175.800 0.038 0.000 1.086 165 F CA -1.578 56.437 58.000 0.025 0.000 1.016 165 F CB 0.898 39.821 39.000 -0.128 0.000 1.368 165 F HN -0.095 nan 8.300 nan 0.000 0.505 166 D N -0.007 120.539 120.400 0.244 0.000 2.501 166 D HA 0.437 5.076 4.640 -0.002 0.000 0.226 166 D C 0.585 176.978 176.300 0.154 0.000 1.198 166 D CA 0.624 54.717 54.000 0.154 0.000 0.830 166 D CB 0.753 41.672 40.800 0.197 0.000 1.014 166 D HN 1.007 nan 8.370 nan 0.000 0.496 167 G N 0.478 109.328 108.800 0.084 0.000 2.293 167 G HA2 0.046 4.005 3.960 -0.002 0.000 0.282 167 G HA3 0.046 4.005 3.960 -0.002 0.000 0.282 167 G C -2.073 172.852 174.900 0.041 0.000 1.299 167 G CA -1.117 44.085 45.100 0.170 0.000 1.018 167 G HN 0.105 nan 8.290 nan 0.000 0.478 168 W N -1.040 120.494 121.300 0.390 0.000 3.138 168 W HA 0.647 5.306 4.660 -0.001 0.000 0.331 168 W C -0.915 175.869 176.519 0.441 0.000 1.166 168 W CA -0.797 56.794 57.345 0.410 0.000 1.212 168 W CB 1.869 31.547 29.460 0.363 0.000 1.399 168 W HN 0.530 nan 8.180 nan 0.000 0.514 169 F N 5.268 125.528 119.950 0.516 0.000 2.391 169 F HA 0.585 5.111 4.527 -0.001 0.000 0.359 169 F C -0.402 175.640 175.800 0.404 0.000 1.122 169 F CA -0.841 57.404 58.000 0.409 0.000 1.120 169 F CB 0.404 39.579 39.000 0.292 0.000 1.142 169 F HN 0.030 nan 8.300 nan 0.000 0.483 170 I N 5.753 126.294 120.570 -0.048 0.000 2.321 170 I HA 0.234 4.403 4.170 -0.002 0.000 0.291 170 I C -0.609 175.298 176.117 -0.350 0.000 0.998 170 I CA -0.547 60.781 61.300 0.047 0.000 1.227 170 I CB 1.085 39.357 38.000 0.453 0.000 1.368 170 I HN 0.554 nan 8.210 nan 0.000 0.466 171 N N 5.499 124.098 118.700 -0.168 0.000 2.682 171 N HA 0.140 4.879 4.740 -0.002 0.000 0.252 171 N C -0.636 174.929 175.510 0.092 0.000 1.081 171 N CA -0.461 52.497 53.050 -0.153 0.000 0.844 171 N CB 0.934 39.471 38.487 0.083 0.000 1.167 171 N HN 0.473 nan 8.380 nan 0.000 0.523 172 Q N 2.193 121.950 119.800 -0.071 0.000 2.377 172 Q HA 0.294 4.633 4.340 -0.002 0.000 0.249 172 Q C -0.452 175.570 176.000 0.038 0.000 1.005 172 Q CA 0.356 56.228 55.803 0.116 0.000 0.912 172 Q CB 0.671 29.431 28.738 0.036 0.000 1.223 172 Q HN 0.366 nan 8.270 nan 0.000 0.459 173 E N 2.624 122.902 120.200 0.131 0.000 2.601 173 E HA 0.135 4.484 4.350 -0.002 0.000 0.219 173 E C -0.517 176.140 176.600 0.095 0.000 0.964 173 E CA 0.017 56.501 56.400 0.141 0.000 1.050 173 E CB 0.893 30.756 29.700 0.271 0.000 1.068 173 E HN 0.543 nan 8.360 nan 0.000 0.496 174 T N 2.511 117.101 114.554 0.060 0.000 2.761 174 T HA 0.213 4.562 4.350 -0.002 0.000 0.296 174 T C 0.375 175.063 174.700 -0.020 0.000 0.934 174 T CA -0.128 61.986 62.100 0.023 0.000 1.091 174 T CB 1.073 69.955 68.868 0.024 0.000 0.896 174 T HN -0.065 nan 8.240 nan 0.000 0.515 179 E N -0.380 119.821 120.200 0.002 0.000 2.150 179 E HA -0.001 4.348 4.350 -0.002 0.000 0.193 179 E C 1.930 178.528 176.600 -0.003 0.000 0.985 179 E CA 1.692 58.095 56.400 0.006 0.000 0.814 179 E CB -0.668 29.032 29.700 -0.000 0.000 0.752 179 E HN 0.504 nan 8.360 nan 0.000 0.466 180 G N -0.346 108.447 108.800 -0.010 0.000 2.418 180 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.217 180 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.217 180 G C 1.625 176.515 174.900 -0.017 0.000 1.158 180 G CA 1.260 46.351 45.100 -0.016 0.000 0.771 180 G HN 0.277 nan 8.290 nan 0.000 0.545 181 T N 1.764 116.307 114.554 -0.018 0.000 2.708 181 T HA 0.029 4.378 4.350 -0.002 0.000 0.266 181 T C 2.834 177.536 174.700 0.003 0.000 1.037 181 T CA 1.483 63.568 62.100 -0.025 0.000 1.146 181 T CB -0.424 68.419 68.868 -0.042 0.000 0.865 181 T HN 0.368 nan 8.240 nan 0.000 0.435 182 A N 1.758 124.599 122.820 0.036 0.000 1.892 182 A HA -0.205 4.114 4.320 -0.002 0.000 0.218 182 A C 2.209 179.809 177.584 0.026 0.000 1.188 182 A CA 1.931 54.029 52.037 0.102 0.000 0.631 182 A CB -0.663 18.412 19.000 0.125 0.000 0.822 182 A HN 0.588 nan 8.150 nan 0.000 0.447 183 E N -0.497 119.690 120.200 -0.021 0.000 2.106 183 E HA -0.049 4.300 4.350 -0.002 0.000 0.192 183 E C 2.278 178.856 176.600 -0.037 0.000 0.984 183 E CA 0.855 57.220 56.400 -0.059 0.000 0.806 183 E CB -0.271 29.400 29.700 -0.048 0.000 0.750 183 E HN 0.631 nan 8.360 nan 0.000 0.458 184 A N 0.873 123.686 122.820 -0.012 0.000 1.933 184 A HA -0.199 4.120 4.320 -0.002 0.000 0.218 184 A C 2.104 179.717 177.584 0.048 0.000 1.175 184 A CA 1.414 53.456 52.037 0.008 0.000 0.628 184 A CB -0.377 18.619 19.000 -0.007 0.000 0.814 184 A HN 0.203 nan 8.150 nan 0.000 0.444 185 M N -0.107 119.515 119.600 0.036 0.000 2.086 185 M HA -0.184 4.295 4.480 -0.002 0.000 0.261 185 M C 2.099 178.445 176.300 0.076 0.000 1.067 185 M CA 1.994 57.338 55.300 0.074 0.000 1.116 185 M CB -0.559 32.109 32.600 0.113 0.000 1.348 185 M HN 0.513 nan 8.290 nan 0.000 0.407 186 Q N -0.521 119.249 119.800 -0.049 0.000 2.135 186 Q HA -0.126 4.213 4.340 -0.002 0.000 0.204 186 Q C 2.102 178.078 176.000 -0.040 0.000 0.981 186 Q CA 1.729 57.436 55.803 -0.160 0.000 0.856 186 Q CB -0.446 28.102 28.738 -0.317 0.000 0.902 186 Q HN 0.705 nan 8.270 nan 0.000 0.425 187 A N 0.404 123.232 122.820 0.013 0.000 1.898 187 A HA -0.169 4.150 4.320 -0.002 0.000 0.216 187 A C 1.859 179.520 177.584 0.129 0.000 1.181 187 A CA 0.926 52.993 52.037 0.049 0.000 0.620 187 A CB -0.787 18.230 19.000 0.028 0.000 0.819 187 A HN 0.450 nan 8.150 nan 0.000 0.442 188 F N 0.660 120.623 119.950 0.022 0.000 2.120 188 F HA -0.195 4.331 4.527 -0.002 0.000 0.300 188 F C 1.877 177.753 175.800 0.127 0.000 1.095 188 F CA 1.931 59.977 58.000 0.078 0.000 1.249 188 F CB -0.151 38.888 39.000 0.066 0.000 0.995 188 F HN 0.149 nan 8.300 nan 0.000 0.480 189 L N -1.016 120.369 121.223 0.271 0.000 2.109 189 L HA -0.167 4.172 4.340 -0.002 0.000 0.207 189 L C 2.307 179.209 176.870 0.053 0.000 1.086 189 L CA 0.608 55.544 54.840 0.159 0.000 0.760 189 L CB -0.731 41.392 42.059 0.107 0.000 0.910 189 L HN -0.011 nan 8.230 nan 0.000 0.437 190 V N -0.980 118.959 119.914 0.041 0.000 2.427 190 V HA -0.317 3.802 4.120 -0.002 0.000 0.248 190 V C 2.246 178.359 176.094 0.031 0.000 1.051 190 V CA 1.680 63.992 62.300 0.021 0.000 1.048 190 V CB -0.609 31.221 31.823 0.012 0.000 0.666 190 V HN 0.383 nan 8.190 nan 0.000 0.456 191 Y N 0.268 120.514 120.300 -0.091 0.000 2.097 191 Y HA -0.266 4.283 4.550 -0.002 0.000 0.282 191 Y C 2.254 178.068 175.900 -0.142 0.000 1.152 191 Y CA 1.611 59.636 58.100 -0.126 0.000 1.136 191 Y CB -0.447 37.906 38.460 -0.180 0.000 0.975 191 Y HN 0.120 nan 8.280 nan 0.000 0.498 192 L N 0.576 121.686 121.223 -0.188 0.000 2.021 192 L HA -0.311 4.028 4.340 -0.002 0.000 0.215 192 L C 2.433 179.217 176.870 -0.143 0.000 1.074 192 L CA 1.884 56.601 54.840 -0.204 0.000 0.760 192 L CB -1.420 40.579 42.059 -0.099 0.000 0.889 192 L HN 0.339 nan 8.230 nan 0.000 0.433 193 Q N -0.493 119.260 119.800 -0.078 0.000 2.135 193 Q HA -0.218 4.121 4.340 -0.002 0.000 0.204 193 Q C 2.156 178.105 176.000 -0.084 0.000 0.981 193 Q CA 1.592 57.363 55.803 -0.052 0.000 0.856 193 Q CB -0.222 28.502 28.738 -0.023 0.000 0.902 193 Q HN 0.638 nan 8.270 nan 0.000 0.425 194 E N -0.172 119.952 120.200 -0.127 0.000 2.152 194 E HA -0.112 4.237 4.350 -0.002 0.000 0.192 194 E C 1.856 178.337 176.600 -0.199 0.000 0.983 194 E CA 0.555 56.871 56.400 -0.141 0.000 0.818 194 E CB 0.222 29.843 29.700 -0.131 0.000 0.758 194 E HN 0.261 nan 8.360 nan 0.000 0.467 195 Q N 0.783 120.396 119.800 -0.311 0.000 2.396 195 Q HA 0.035 4.374 4.340 -0.002 0.000 0.209 195 Q C 0.413 176.306 176.000 -0.179 0.000 0.906 195 Q CA 0.274 55.884 55.803 -0.322 0.000 0.927 195 Q CB 0.300 28.674 28.738 -0.607 0.000 1.069 195 Q HN 0.247 nan 8.270 nan 0.000 0.523 196 K N 1.606 121.930 120.400 -0.126 0.000 2.258 196 K HA 0.311 4.630 4.320 -0.002 0.000 0.264 196 K C -2.293 174.291 176.600 -0.027 0.000 1.007 196 K CA -1.195 55.064 56.287 -0.047 0.000 0.941 196 K CB 0.065 32.564 32.500 -0.001 0.000 0.966 196 K HN -0.259 nan 8.250 nan 0.000 0.480 197 P HA 0.099 nan 4.420 nan 0.000 0.289 197 P C -0.663 176.648 177.300 0.017 0.000 1.299 197 P CA -0.570 62.532 63.100 0.002 0.000 0.766 197 P CB 0.426 32.129 31.700 0.005 0.000 1.226 201 H N 3.579 122.741 119.070 0.152 0.000 2.489 201 H HA 0.720 5.275 4.556 -0.001 0.000 0.343 201 H C -1.526 173.952 175.328 0.251 0.000 1.086 201 H CA -0.581 55.579 56.048 0.187 0.000 1.198 201 H CB 1.229 31.099 29.762 0.180 0.000 1.490 201 H HN 0.499 nan 8.280 nan 0.000 0.504 202 I N 6.169 126.811 120.570 0.120 0.000 2.411 202 I HA 0.210 4.379 4.170 -0.002 0.000 0.284 202 I C -0.458 175.846 176.117 0.313 0.000 1.012 202 I CA -0.420 61.058 61.300 0.298 0.000 1.119 202 I CB 1.011 39.158 38.000 0.245 0.000 1.261 202 I HN 0.681 nan 8.210 nan 0.000 0.448 203 M N 6.830 126.734 119.600 0.507 0.000 2.336 203 M HA 0.409 4.888 4.480 -0.002 0.000 0.342 203 M C -1.517 175.003 176.300 0.367 0.000 1.128 203 M CA -0.396 55.208 55.300 0.508 0.000 1.016 203 M CB 2.334 35.324 32.600 0.651 0.000 1.665 203 M HN 0.697 nan 8.290 nan 0.000 0.445 204 W N 5.656 127.044 121.300 0.147 0.000 2.632 204 W HA 0.341 5.000 4.660 -0.001 0.000 0.328 204 W C -2.288 174.268 176.519 0.061 0.000 1.044 204 W CA -0.852 56.523 57.345 0.049 0.000 1.225 204 W CB 0.993 30.532 29.460 0.133 0.000 1.396 204 W HN 0.707 nan 8.180 nan 0.000 0.499 205 Y N 4.671 124.455 120.300 -0.860 0.000 2.304 205 Y HA 0.062 4.611 4.550 -0.002 0.000 0.328 205 Y C 0.628 176.137 175.900 -0.651 0.000 1.123 205 Y CA 0.281 58.061 58.100 -0.533 0.000 1.218 205 Y CB 0.696 38.910 38.460 -0.410 0.000 1.207 205 Y HN 0.448 nan 8.280 nan 0.000 0.495 206 D N 3.295 123.459 120.400 -0.393 0.000 2.422 206 D HA 0.045 4.684 4.640 -0.002 0.000 0.263 206 D C 0.067 176.438 176.300 0.118 0.000 1.334 206 D CA 0.914 54.846 54.000 -0.115 0.000 1.105 206 D CB 0.069 40.783 40.800 -0.143 0.000 1.107 206 D HN 0.606 nan 8.370 nan 0.000 0.522 207 S N 3.005 118.713 115.700 0.013 0.000 4.198 207 S HA 0.123 4.593 4.470 -0.002 0.000 0.202 207 S C 0.664 175.116 174.600 -0.245 0.000 1.124 207 S CA -0.640 57.505 58.200 -0.091 0.000 1.050 207 S CB -0.362 62.849 63.200 0.020 0.000 1.401 207 S HN 0.374 nan 8.310 nan 0.000 0.589 208 M N 3.523 123.032 119.600 -0.152 0.000 2.188 208 M HA 0.470 4.949 4.480 -0.002 0.000 0.354 208 M C -0.246 176.026 176.300 -0.048 0.000 1.342 208 M CA -0.706 54.547 55.300 -0.077 0.000 1.117 208 M CB 0.524 33.145 32.600 0.035 0.000 1.670 208 M HN 0.621 nan 8.290 nan 0.000 0.466 209 I N 1.567 122.166 120.570 0.048 0.000 3.674 209 I HA 0.377 4.546 4.170 -0.002 0.000 0.287 209 I C 0.783 177.108 176.117 0.347 0.000 1.270 209 I CA -0.878 60.542 61.300 0.200 0.000 0.949 209 I CB 0.404 38.474 38.000 0.118 0.000 1.474 209 I HN 0.708 nan 8.210 nan 0.000 0.636 210 D N -0.468 120.108 120.400 0.293 0.000 2.182 210 D HA -0.242 4.398 4.640 -0.002 0.000 0.201 210 D C 1.805 178.166 176.300 0.102 0.000 0.986 210 D CA 2.044 56.142 54.000 0.164 0.000 0.847 210 D CB -1.018 39.824 40.800 0.070 0.000 0.942 210 D HN 0.725 nan 8.370 nan 0.000 0.467 211 T N -1.328 113.278 114.554 0.085 0.000 3.113 211 T HA 0.370 4.719 4.350 -0.002 0.000 0.256 211 T C 0.876 175.604 174.700 0.047 0.000 1.131 211 T CA 1.009 63.138 62.100 0.048 0.000 1.074 211 T CB -0.728 68.159 68.868 0.031 0.000 0.944 211 T HN 0.663 nan 8.240 nan 0.000 0.516 215 A N 6.579 129.071 122.820 -0.548 0.000 2.876 215 A HA 0.483 4.802 4.320 -0.002 0.000 0.309 215 A C -1.046 176.468 177.584 -0.118 0.000 1.168 215 A CA -0.430 51.424 52.037 -0.305 0.000 0.762 215 A CB 0.517 19.472 19.000 -0.075 0.000 1.262 215 A HN 0.572 nan 8.150 nan 0.000 0.435 216 W N 1.849 123.248 121.300 0.166 0.000 2.264 216 W HA 0.084 4.743 4.660 -0.001 0.000 0.331 216 W C 0.386 176.984 176.519 0.131 0.000 1.364 216 W CA -0.137 57.277 57.345 0.115 0.000 1.253 216 W CB 0.397 29.896 29.460 0.065 0.000 1.215 216 W HN 0.671 nan 8.180 nan 0.000 0.561 217 Q N 1.657 121.618 119.800 0.269 0.000 2.391 217 Q HA -0.083 4.256 4.340 -0.002 0.000 0.211 217 Q C 0.899 177.012 176.000 0.187 0.000 0.908 217 Q CA 0.489 56.430 55.803 0.229 0.000 0.920 217 Q CB 0.043 28.891 28.738 0.184 0.000 1.056 217 Q HN 0.566 nan 8.270 nan 0.000 0.523 218 N N 0.180 118.903 118.700 0.039 0.000 2.815 218 N HA -0.196 4.543 4.740 -0.002 0.000 0.247 218 N C -0.539 174.645 175.510 -0.543 0.000 1.030 218 N CA 1.404 54.346 53.050 -0.180 0.000 0.881 218 N CB -1.195 37.255 38.487 -0.061 0.000 1.134 218 N HN 0.480 nan 8.380 nan 0.000 0.582 219 H N -1.299 117.768 119.070 -0.004 0.000 2.990 219 H HA 0.458 5.013 4.556 -0.002 0.000 0.336 219 H C -0.523 174.787 175.328 -0.030 0.000 1.306 219 H CA -0.815 55.195 56.048 -0.063 0.000 1.118 219 H CB 1.093 30.837 29.762 -0.031 0.000 1.856 219 H HN -0.070 nan 8.280 nan 0.000 0.538 220 L N 3.075 124.353 121.223 0.091 0.000 2.278 220 L HA 0.358 4.697 4.340 -0.002 0.000 0.287 220 L C -0.278 176.639 176.870 0.077 0.000 1.072 220 L CA 0.300 55.185 54.840 0.075 0.000 0.819 220 L CB -0.234 41.846 42.059 0.034 0.000 1.176 220 L HN 0.979 nan 8.230 nan 0.000 0.435 221 T N -0.115 114.496 114.554 0.095 0.000 2.693 221 T HA 0.219 4.568 4.350 -0.002 0.000 0.278 221 T C 0.655 175.397 174.700 0.071 0.000 0.994 221 T CA -0.365 61.779 62.100 0.074 0.000 1.033 221 T CB 1.374 70.296 68.868 0.091 0.000 1.342 221 T HN 0.488 nan 8.240 nan 0.000 0.538 222 D N -0.441 119.992 120.400 0.054 0.000 2.144 222 D HA -0.086 4.553 4.640 -0.002 0.000 0.199 222 D C 2.055 178.397 176.300 0.069 0.000 0.984 222 D CA 0.957 54.986 54.000 0.048 0.000 0.834 222 D CB 0.089 40.909 40.800 0.033 0.000 0.955 222 D HN 0.312 nan 8.370 nan 0.000 0.465 223 R N 0.032 120.586 120.500 0.091 0.000 2.152 223 R HA -0.060 4.279 4.340 -0.002 0.000 0.232 223 R C 1.249 177.664 176.300 0.193 0.000 1.117 223 R CA 1.297 57.469 56.100 0.119 0.000 0.981 223 R CB -0.712 29.656 30.300 0.112 0.000 0.870 223 R HN 0.512 nan 8.270 nan 0.000 0.451 224 N N -0.387 118.439 118.700 0.209 0.000 2.159 224 N HA -0.057 4.682 4.740 -0.002 0.000 0.217 224 N C 1.060 176.748 175.510 0.298 0.000 1.223 224 N CA 0.113 53.368 53.050 0.341 0.000 0.896 224 N CB -0.080 38.585 38.487 0.296 0.000 1.064 224 N HN 0.179 nan 8.380 nan 0.000 0.518 225 K N 1.069 121.562 120.400 0.155 0.000 2.211 225 K HA -0.099 4.220 4.320 -0.002 0.000 0.204 225 K C 1.685 178.304 176.600 0.031 0.000 1.047 225 K CA 1.440 57.781 56.287 0.090 0.000 0.935 225 K CB -0.382 32.147 32.500 0.048 0.000 0.728 225 K HN 0.185 nan 8.250 nan 0.000 0.452 226 M N -0.484 119.091 119.600 -0.042 0.000 2.630 226 M HA -0.023 4.456 4.480 -0.002 0.000 0.254 226 M C 0.298 176.382 176.300 -0.360 0.000 1.092 226 M CA 1.318 56.493 55.300 -0.208 0.000 1.087 226 M CB -0.889 31.536 32.600 -0.291 0.000 1.453 226 M HN 0.088 nan 8.290 nan 0.000 0.509 227 Y N 0.164 120.374 120.300 -0.151 0.000 2.466 227 Y HA 0.376 4.925 4.550 -0.002 0.000 0.272 227 Y C 1.195 176.961 175.900 -0.224 0.000 1.169 227 Y CA -0.194 57.692 58.100 -0.356 0.000 1.285 227 Y CB 0.322 38.398 38.460 -0.641 0.000 1.078 227 Y HN 0.142 nan 8.280 nan 0.000 0.523 234 R N -0.397 120.095 120.500 -0.013 0.000 2.740 234 R HA 0.757 5.096 4.340 -0.002 0.000 0.273 234 R C 0.200 176.493 176.300 -0.013 0.000 0.998 234 R CA -0.569 55.525 56.100 -0.011 0.000 0.900 234 R CB 2.418 32.722 30.300 0.006 0.000 1.223 234 R HN 0.600 nan 8.270 nan 0.000 0.466 235 V N -0.533 119.372 119.914 -0.015 0.000 3.473 235 V HA 0.596 4.715 4.120 -0.002 0.000 0.253 235 V C -0.466 175.635 176.094 0.012 0.000 1.340 235 V CA 1.050 63.336 62.300 -0.024 0.000 1.103 235 V CB 0.992 32.763 31.823 -0.086 0.000 0.881 235 V HN 0.727 nan 8.190 nan 0.000 0.451 236 A N -0.586 122.255 122.820 0.035 0.000 2.587 236 A HA 0.596 4.915 4.320 -0.002 0.000 0.293 236 A C -0.091 177.528 177.584 0.058 0.000 1.087 236 A CA 0.146 52.230 52.037 0.079 0.000 0.692 236 A CB 1.058 20.151 19.000 0.155 0.000 1.291 236 A HN 0.160 nan 8.150 nan 0.000 0.407 237 D N 0.316 120.711 120.400 -0.010 0.000 2.234 237 D HA 0.075 4.714 4.640 -0.002 0.000 0.205 237 D C 0.648 176.990 176.300 0.070 0.000 0.962 237 D CA 1.961 55.893 54.000 -0.114 0.000 0.855 237 D CB 0.279 40.724 40.800 -0.592 0.000 0.951 237 D HN 0.718 nan 8.370 nan 0.000 0.500 238 S N -0.962 114.865 115.700 0.212 0.000 2.611 238 S HA 0.520 4.989 4.470 -0.002 0.000 0.268 238 S C -0.991 173.868 174.600 0.431 0.000 1.156 238 S CA -1.028 57.426 58.200 0.423 0.000 0.817 238 S CB 2.559 66.174 63.200 0.691 0.000 1.122 238 S HN 0.010 nan 8.310 nan 0.000 0.466 239 M N 1.979 121.844 119.600 0.441 0.000 2.326 239 M HA 0.596 5.075 4.480 -0.002 0.000 0.306 239 M C -2.063 174.460 176.300 0.372 0.000 1.054 239 M CA -0.804 54.734 55.300 0.397 0.000 0.922 239 M CB 1.547 34.334 32.600 0.312 0.000 1.632 239 M HN 0.814 nan 8.290 nan 0.000 0.436 240 F N 5.607 125.651 119.950 0.157 0.000 2.421 240 F HA 0.393 4.919 4.527 -0.002 0.000 0.358 240 F C -1.136 174.477 175.800 -0.311 0.000 1.115 240 F CA -0.622 57.397 58.000 0.030 0.000 1.160 240 F CB 0.544 39.632 39.000 0.148 0.000 1.123 240 F HN 0.395 nan 8.300 nan 0.000 0.508 241 L N 5.875 126.801 121.223 -0.495 0.000 2.331 241 L HA 0.176 4.515 4.340 -0.002 0.000 0.278 241 L C 0.285 176.791 176.870 -0.606 0.000 1.106 241 L CA -0.172 54.390 54.840 -0.463 0.000 0.824 241 L CB 0.405 42.209 42.059 -0.424 0.000 1.142 241 L HN 0.629 nan 8.230 nan 0.000 0.443 242 N N 1.390 119.750 118.700 -0.566 0.000 2.340 242 N HA -0.006 4.733 4.740 -0.002 0.000 0.236 242 N C 0.819 175.950 175.510 -0.630 0.000 1.296 242 N CA 0.325 52.900 53.050 -0.793 0.000 0.896 242 N CB 0.399 38.523 38.487 -0.604 0.000 1.127 242 N HN 0.400 nan 8.380 nan 0.000 0.442 243 F N -0.596 118.999 119.950 -0.592 0.000 2.325 243 F HA 0.064 4.590 4.527 -0.001 0.000 0.299 243 F C 0.570 176.062 175.800 -0.513 0.000 1.090 243 F CA 0.020 57.715 58.000 -0.509 0.000 1.392 243 F CB 0.038 38.703 39.000 -0.559 0.000 1.053 243 F HN 0.373 nan 8.300 nan 0.000 0.521 244 W N 2.864 124.163 121.300 -0.003 0.000 1.518 244 W HA 0.150 4.809 4.660 -0.002 0.000 0.426 244 W C -0.270 176.223 176.519 -0.043 0.000 0.675 244 W CA -1.374 55.920 57.345 -0.085 0.000 1.936 244 W CB -1.422 28.031 29.460 -0.013 0.000 1.749 244 W HN 0.158 nan 8.180 nan 0.000 0.247 245 W N 0.701 122.006 121.300 0.009 0.000 2.820 245 W HA 0.574 5.233 4.660 -0.002 0.000 0.350 245 W C 0.182 176.705 176.519 0.007 0.000 1.116 245 W CA -1.346 55.965 57.345 -0.057 0.000 1.146 245 W CB 0.550 29.820 29.460 -0.317 0.000 1.433 245 W HN -0.026 nan 8.180 nan 0.000 0.561 246 R N -0.196 120.542 120.500 0.396 0.000 2.435 246 R HA 0.152 4.491 4.340 -0.002 0.000 0.221 246 R C -0.935 175.609 176.300 0.407 0.000 0.885 246 R CA 0.112 56.358 56.100 0.244 0.000 1.018 246 R CB 0.758 31.131 30.300 0.121 0.000 1.259 246 R HN 0.516 nan 8.270 nan 0.000 0.597 247 D N -1.033 119.639 120.400 0.454 0.000 2.736 247 D HA 0.143 4.782 4.640 -0.002 0.000 0.223 247 D C -0.265 176.069 176.300 0.056 0.000 1.231 247 D CA -0.328 53.790 54.000 0.196 0.000 0.818 247 D CB 1.542 42.376 40.800 0.056 0.000 1.587 247 D HN -0.286 nan 8.370 nan 0.000 0.463 248 Q N 1.497 121.162 119.800 -0.226 0.000 2.189 248 Q HA 0.147 4.487 4.340 -0.002 0.000 0.223 248 Q C 1.431 177.178 176.000 -0.421 0.000 0.828 248 Q CA -0.038 55.578 55.803 -0.311 0.000 0.967 248 Q CB 0.552 29.007 28.738 -0.472 0.000 1.139 248 Q HN 0.527 nan 8.270 nan 0.000 0.497 249 R N 1.612 121.684 120.500 -0.714 0.000 2.103 249 R HA -0.230 4.109 4.340 -0.002 0.000 0.242 249 R C 2.099 178.223 176.300 -0.294 0.000 1.142 249 R CA 2.225 57.940 56.100 -0.643 0.000 0.960 249 R CB 0.159 30.120 30.300 -0.565 0.000 0.858 249 R HN 0.362 nan 8.270 nan 0.000 0.439 250 Q N -0.660 118.988 119.800 -0.253 0.000 2.096 250 Q HA -0.124 4.215 4.340 -0.002 0.000 0.204 250 Q C 1.916 177.828 176.000 -0.147 0.000 0.982 250 Q CA 2.029 57.719 55.803 -0.189 0.000 0.850 250 Q CB -0.264 28.334 28.738 -0.234 0.000 0.901 250 Q HN 0.159 nan 8.270 nan 0.000 0.422 251 S N 1.533 117.147 115.700 -0.143 0.000 2.368 251 S HA -0.168 4.301 4.470 -0.002 0.000 0.225 251 S C 1.757 176.281 174.600 -0.126 0.000 1.030 251 S CA 1.167 59.305 58.200 -0.103 0.000 0.999 251 S CB -0.495 62.644 63.200 -0.102 0.000 0.844 251 S HN 0.503 nan 8.310 nan 0.000 0.459 252 N N 1.500 120.104 118.700 -0.160 0.000 2.069 252 N HA -0.176 4.563 4.740 -0.002 0.000 0.191 252 N C 1.528 176.971 175.510 -0.111 0.000 1.031 252 N CA 1.589 54.544 53.050 -0.158 0.000 0.852 252 N CB -0.207 38.207 38.487 -0.122 0.000 1.018 252 N HN 0.522 nan 8.380 nan 0.000 0.423 253 E N -0.029 120.115 120.200 -0.094 0.000 2.072 253 E HA -0.161 4.188 4.350 -0.002 0.000 0.191 253 E C 1.934 178.502 176.600 -0.054 0.000 0.985 253 E CA 0.742 57.102 56.400 -0.066 0.000 0.801 253 E CB -0.136 29.525 29.700 -0.065 0.000 0.750 253 E HN 0.204 nan 8.360 nan 0.000 0.452 254 L N 0.947 122.136 121.223 -0.058 0.000 2.093 254 L HA -0.073 4.267 4.340 -0.002 0.000 0.208 254 L C 2.139 178.990 176.870 -0.031 0.000 1.085 254 L CA 1.836 56.653 54.840 -0.038 0.000 0.755 254 L CB -0.691 41.348 42.059 -0.033 0.000 0.904 254 L HN 0.035 nan 8.230 nan 0.000 0.435 255 A N -1.066 121.727 122.820 -0.045 0.000 1.902 255 A HA -0.263 4.056 4.320 -0.002 0.000 0.217 255 A C 2.182 179.749 177.584 -0.028 0.000 1.181 255 A CA 1.841 53.855 52.037 -0.038 0.000 0.623 255 A CB -0.576 18.381 19.000 -0.071 0.000 0.818 255 A HN 0.646 nan 8.150 nan 0.000 0.443 256 Q N -0.791 118.986 119.800 -0.038 0.000 2.124 256 Q HA -0.123 4.216 4.340 -0.002 0.000 0.202 256 Q C 2.381 178.375 176.000 -0.010 0.000 0.977 256 Q CA 1.295 57.086 55.803 -0.021 0.000 0.850 256 Q CB -0.379 28.344 28.738 -0.024 0.000 0.901 256 Q HN 0.700 nan 8.270 nan 0.000 0.429 257 A N 0.697 123.508 122.820 -0.014 0.000 1.972 257 A HA -0.110 4.209 4.320 -0.002 0.000 0.219 257 A C 1.892 179.474 177.584 -0.004 0.000 1.169 257 A CA 0.960 52.992 52.037 -0.009 0.000 0.635 257 A CB -0.375 18.618 19.000 -0.012 0.000 0.810 257 A HN 0.287 nan 8.150 nan 0.000 0.446 258 L N -1.118 120.104 121.223 -0.002 0.000 2.599 258 L HA 0.182 4.521 4.340 -0.002 0.000 0.230 258 L C 1.526 178.401 176.870 0.009 0.000 1.141 258 L CA 0.493 55.335 54.840 0.003 0.000 0.877 258 L CB -0.161 41.902 42.059 0.006 0.000 1.009 258 L HN 0.558 nan 8.230 nan 0.000 0.447 259 G N 0.673 109.479 108.800 0.010 0.000 2.198 259 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.257 259 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.257 259 G C 0.019 174.936 174.900 0.028 0.000 1.042 259 G CA -0.155 44.956 45.100 0.018 0.000 0.791 259 G HN 0.171 nan 8.290 nan 0.000 0.502 260 R N -0.212 120.304 120.500 0.026 0.000 2.740 260 R HA 0.644 4.983 4.340 -0.002 0.000 0.282 260 R C 0.268 176.589 176.300 0.034 0.000 0.969 260 R CA -0.504 55.621 56.100 0.041 0.000 0.918 260 R CB 1.472 31.798 30.300 0.043 0.000 1.175 260 R HN 0.303 nan 8.270 nan 0.000 0.464 261 S N 1.983 117.725 115.700 0.069 0.000 2.549 261 S HA 0.096 4.565 4.470 -0.002 0.000 0.286 261 S C -1.487 173.089 174.600 -0.041 0.000 1.314 261 S CA -0.936 57.306 58.200 0.070 0.000 1.062 261 S CB 0.508 63.825 63.200 0.195 0.000 0.865 261 S HN 0.265 nan 8.310 nan 0.000 0.498 262 P HA 0.004 nan 4.420 nan 0.000 0.230 262 P C -0.142 176.852 177.300 -0.510 0.000 1.158 262 P CA 1.033 63.880 63.100 -0.421 0.000 0.769 262 P CB -0.054 31.266 31.700 -0.633 0.000 0.807 263 Y N -1.220 119.044 120.300 -0.060 0.000 2.461 263 Y HA 0.076 4.625 4.550 -0.002 0.000 0.277 263 Y C 1.292 177.146 175.900 -0.077 0.000 1.182 263 Y CA 0.001 58.022 58.100 -0.132 0.000 1.276 263 Y CB -0.452 37.919 38.460 -0.149 0.000 1.087 263 Y HN -0.080 nan 8.280 nan 0.000 0.519 264 D N 0.209 120.683 120.400 0.124 0.000 2.339 264 D HA 0.124 4.763 4.640 -0.002 0.000 0.217 264 D C -0.031 176.401 176.300 0.221 0.000 1.050 264 D CA 0.495 54.661 54.000 0.277 0.000 0.856 264 D CB 0.285 41.252 40.800 0.279 0.000 0.922 264 D HN 0.269 nan 8.370 nan 0.000 0.518 265 L N 0.735 121.929 121.223 -0.049 0.000 2.282 265 L HA 0.334 4.673 4.340 -0.002 0.000 0.288 265 L C -0.772 175.948 176.870 -0.250 0.000 1.033 265 L CA -0.801 54.012 54.840 -0.046 0.000 0.807 265 L CB 0.945 42.931 42.059 -0.123 0.000 1.209 265 L HN -0.131 nan 8.230 nan 0.000 0.423 266 Y N 1.963 122.222 120.300 -0.069 0.000 2.478 266 Y HA 0.447 4.996 4.550 -0.002 0.000 0.329 266 Y C 0.585 176.205 175.900 -0.465 0.000 0.967 266 Y CA -0.764 57.245 58.100 -0.153 0.000 1.255 266 Y CB 1.559 40.017 38.460 -0.005 0.000 1.103 266 Y HN 0.648 nan 8.280 nan 0.000 0.497 267 A N 3.056 125.658 122.820 -0.363 0.000 2.438 267 A HA 0.437 4.756 4.320 -0.002 0.000 0.280 267 A C 0.917 178.340 177.584 -0.269 0.000 1.160 267 A CA 0.078 51.802 52.037 -0.521 0.000 0.821 267 A CB -0.475 17.992 19.000 -0.889 0.000 1.101 267 A HN 0.883 nan 8.150 nan 0.000 0.515 268 G N 1.283 109.852 108.800 -0.385 0.000 2.398 268 G HA2 0.452 4.411 3.960 -0.002 0.000 0.246 268 G HA3 0.452 4.411 3.960 -0.002 0.000 0.246 268 G C -0.401 174.803 174.900 0.507 0.000 1.289 268 G CA -0.073 44.936 45.100 -0.151 0.000 0.869 268 G HN 0.818 nan 8.290 nan 0.000 0.543 269 V N 3.189 123.420 119.914 0.528 0.000 2.483 269 V HA 0.200 4.319 4.120 -0.002 0.000 0.297 269 V C -0.733 175.470 176.094 0.181 0.000 1.027 269 V CA -0.902 61.581 62.300 0.305 0.000 0.855 269 V CB 1.869 33.798 31.823 0.176 0.000 0.995 269 V HN 0.793 nan 8.190 nan 0.000 0.424 270 D N 3.929 124.136 120.400 -0.322 0.000 2.393 270 D HA 0.231 4.870 4.640 -0.002 0.000 0.232 270 D C 0.672 176.837 176.300 -0.226 0.000 1.192 270 D CA -0.121 53.558 54.000 -0.535 0.000 0.882 270 D CB 1.667 41.709 40.800 -1.262 0.000 1.038 270 D HN 0.429 nan 8.370 nan 0.000 0.499 271 V N 1.187 121.033 119.914 -0.112 0.000 3.483 271 V HA 0.204 4.323 4.120 -0.002 0.000 0.301 271 V C 1.633 177.573 176.094 -0.256 0.000 1.389 271 V CA -0.042 62.160 62.300 -0.164 0.000 1.101 271 V CB -0.019 31.817 31.823 0.022 0.000 0.971 271 V HN 0.457 nan 8.190 nan 0.000 0.434 272 E N 1.855 121.930 120.200 -0.208 0.000 2.049 272 E HA -0.251 4.098 4.350 -0.002 0.000 0.198 272 E C 2.100 178.678 176.600 -0.036 0.000 1.007 272 E CA 2.312 58.611 56.400 -0.167 0.000 0.809 272 E CB -0.151 29.434 29.700 -0.193 0.000 0.749 272 E HN 0.722 nan 8.360 nan 0.000 0.450 273 A N 0.284 123.059 122.820 -0.076 0.000 1.935 273 A HA -0.002 4.318 4.320 -0.002 0.000 0.214 273 A C 2.000 179.570 177.584 -0.023 0.000 1.178 273 A CA 1.060 53.093 52.037 -0.006 0.000 0.640 273 A CB -0.006 18.974 19.000 -0.032 0.000 0.825 273 A HN 0.144 nan 8.150 nan 0.000 0.447 274 R N -1.981 118.351 120.500 -0.279 0.000 2.419 274 R HA 0.296 4.636 4.340 -0.002 0.000 0.235 274 R C 1.466 177.163 176.300 -1.006 0.000 0.899 274 R CA 0.437 56.306 56.100 -0.385 0.000 1.048 274 R CB 0.304 30.450 30.300 -0.256 0.000 1.182 274 R HN 0.545 nan 8.270 nan 0.000 0.544 275 G N 1.506 109.347 108.800 -1.598 0.000 2.665 275 G HA2 -0.498 3.461 3.960 -0.002 0.000 0.326 275 G HA3 -0.498 3.461 3.960 -0.002 0.000 0.326 275 G C 1.129 175.094 174.900 -1.558 0.000 1.231 275 G CA 1.511 45.320 45.100 -2.150 0.000 0.992 275 G HN 0.369 nan 8.290 nan 0.000 0.549 276 T N -2.100 111.492 114.554 -1.604 0.000 3.007 276 T HA 0.164 4.513 4.350 -0.002 0.000 0.270 276 T C 2.122 176.386 174.700 -0.726 0.000 1.107 276 T CA 2.105 63.294 62.100 -1.518 0.000 1.118 276 T CB -0.097 68.258 68.868 -0.855 0.000 0.889 276 T HN 0.575 nan 8.240 nan 0.000 0.506 277 S N 1.125 116.509 115.700 -0.526 0.000 2.631 277 S HA 0.138 4.607 4.470 -0.002 0.000 0.217 277 S C 0.541 175.033 174.600 -0.180 0.000 0.958 277 S CA -0.231 57.831 58.200 -0.228 0.000 0.920 277 S CB -0.180 62.930 63.200 -0.150 0.000 0.776 277 S HN 0.574 nan 8.310 nan 0.000 0.517 278 T N 5.136 119.536 114.554 -0.257 0.000 2.799 278 T HA 0.220 4.569 4.350 -0.002 0.000 0.296 278 T C -2.570 172.157 174.700 0.046 0.000 0.947 278 T CA -0.947 61.084 62.100 -0.115 0.000 1.141 278 T CB 0.648 69.442 68.868 -0.123 0.000 0.891 278 T HN 0.056 nan 8.240 nan 0.000 0.533 279 P HA 0.384 nan 4.420 nan 0.000 0.276 279 P C -1.066 176.111 177.300 -0.206 0.000 1.243 279 P CA -0.331 62.731 63.100 -0.064 0.000 0.768 279 P CB 0.618 32.270 31.700 -0.080 0.000 0.856 280 V N 3.892 123.603 119.914 -0.338 0.000 2.841 280 V HA 0.232 4.351 4.120 -0.002 0.000 0.310 280 V C -0.038 175.642 176.094 -0.689 0.000 1.090 280 V CA -0.696 61.151 62.300 -0.754 0.000 0.930 280 V CB 2.414 33.324 31.823 -1.522 0.000 1.014 280 V HN 0.318 nan 8.190 nan 0.000 0.425 281 Q N 2.472 121.918 119.800 -0.590 0.000 2.835 281 Q HA 0.150 4.489 4.340 -0.002 0.000 0.235 281 Q C 0.528 176.459 176.000 -0.114 0.000 1.313 281 Q CA 0.017 55.659 55.803 -0.267 0.000 1.053 281 Q CB 0.304 28.942 28.738 -0.166 0.000 1.443 281 Q HN 0.880 nan 8.270 nan 0.000 0.576 282 W N 0.948 122.279 121.300 0.051 0.000 2.338 282 W HA -0.230 4.429 4.660 -0.002 0.000 0.304 282 W C 1.599 178.175 176.519 0.096 0.000 1.212 282 W CA 0.886 58.262 57.345 0.052 0.000 1.264 282 W CB 0.186 29.718 29.460 0.120 0.000 1.142 282 W HN 0.488 nan 8.180 nan 0.000 0.512 283 E N -0.391 120.016 120.200 0.346 0.000 2.209 283 E HA -0.127 4.222 4.350 -0.002 0.000 0.196 283 E C 2.331 179.059 176.600 0.213 0.000 0.993 283 E CA 1.409 57.964 56.400 0.259 0.000 0.819 283 E CB -1.050 28.775 29.700 0.208 0.000 0.745 283 E HN 0.308 nan 8.360 nan 0.000 0.477 284 G N -0.092 108.843 108.800 0.224 0.000 2.679 284 G HA2 -0.065 3.894 3.960 -0.002 0.000 0.212 284 G HA3 -0.065 3.894 3.960 -0.002 0.000 0.212 284 G C 1.278 176.290 174.900 0.186 0.000 1.137 284 G CA 0.405 45.658 45.100 0.254 0.000 0.787 284 G HN 0.217 nan 8.290 nan 0.000 0.534 285 L N -1.774 119.456 121.223 0.012 0.000 2.624 285 L HA 0.561 4.900 4.340 -0.002 0.000 0.222 285 L C -0.175 176.283 176.870 -0.686 0.000 1.046 285 L CA 0.200 54.776 54.840 -0.439 0.000 0.872 285 L CB 0.375 41.993 42.059 -0.735 0.000 1.190 285 L HN 0.036 nan 8.230 nan 0.000 0.487 286 F N 3.246 123.140 119.950 -0.093 0.000 2.453 286 F HA 0.453 4.979 4.527 -0.001 0.000 0.358 286 F C -2.113 173.670 175.800 -0.028 0.000 1.129 286 F CA -2.245 55.665 58.000 -0.150 0.000 1.200 286 F CB 0.307 39.147 39.000 -0.265 0.000 1.431 286 F HN -0.037 nan 8.300 nan 0.000 0.503 287 P HA -0.007 nan 4.420 nan 0.000 0.267 287 P C -0.283 177.075 177.300 0.097 0.000 1.205 287 P CA 0.087 63.227 63.100 0.067 0.000 0.765 287 P CB 0.748 32.445 31.700 -0.005 0.000 0.828 288 E N 1.685 121.960 120.200 0.124 0.000 2.465 288 E HA 0.200 4.549 4.350 -0.002 0.000 0.260 288 E C 1.117 177.755 176.600 0.065 0.000 0.980 288 E CA 0.417 56.883 56.400 0.109 0.000 0.927 288 E CB -0.261 29.502 29.700 0.105 0.000 0.934 288 E HN 0.751 nan 8.360 nan 0.000 0.459 289 G N 3.180 112.008 108.800 0.047 0.000 2.323 289 G HA2 -0.308 3.651 3.960 -0.002 0.000 0.292 289 G HA3 -0.308 3.651 3.960 -0.002 0.000 0.292 289 G C -0.181 174.731 174.900 0.020 0.000 1.040 289 G CA 0.518 45.632 45.100 0.023 0.000 0.942 289 G HN 0.558 nan 8.290 nan 0.000 0.506 290 E N -1.353 118.858 120.200 0.017 0.000 2.412 290 E HA 0.395 4.744 4.350 -0.002 0.000 0.279 290 E C 0.033 176.627 176.600 -0.011 0.000 0.984 290 E CA -1.054 55.346 56.400 0.001 0.000 0.788 290 E CB 1.765 31.459 29.700 -0.011 0.000 1.277 290 E HN 0.174 nan 8.360 nan 0.000 0.455 291 K N 0.328 120.721 120.400 -0.012 0.000 2.273 291 K HA 0.517 4.836 4.320 -0.002 0.000 0.240 291 K C 0.559 177.140 176.600 -0.032 0.000 1.056 291 K CA 0.817 57.112 56.287 0.014 0.000 0.910 291 K CB 0.545 33.078 32.500 0.055 0.000 1.196 291 K HN 0.684 nan 8.250 nan 0.000 0.509 292 A N 0.089 122.978 122.820 0.116 0.000 5.391 292 A HA -0.313 4.007 4.320 -0.002 0.000 0.315 292 A C 1.303 178.802 177.584 -0.142 0.000 1.874 292 A CA 1.573 53.686 52.037 0.127 0.000 0.714 292 A CB -1.940 17.054 19.000 -0.011 0.000 1.335 292 A HN 1.003 nan 8.150 nan 0.000 0.382 293 H N 1.095 120.070 119.070 -0.157 0.000 2.421 293 H HA 0.048 4.603 4.556 -0.002 0.000 0.298 293 H C 1.484 176.586 175.328 -0.377 0.000 1.087 293 H CA 2.449 58.356 56.048 -0.234 0.000 1.330 293 H CB -0.534 29.074 29.762 -0.258 0.000 1.388 293 H HN 1.228 nan 8.280 nan 0.000 0.526 294 T N -3.401 111.000 114.554 -0.255 0.000 2.618 294 T HA 0.464 4.813 4.350 -0.002 0.000 0.293 294 T C 0.120 174.763 174.700 -0.094 0.000 1.093 294 T CA -0.925 60.977 62.100 -0.331 0.000 1.061 294 T CB 2.153 70.800 68.868 -0.368 0.000 1.498 294 T HN -0.005 nan 8.240 nan 0.000 0.494 295 S N -0.216 115.378 115.700 -0.176 0.000 2.713 295 S HA 0.719 5.188 4.470 -0.002 0.000 0.277 295 S C -0.806 173.764 174.600 -0.050 0.000 1.168 295 S CA -0.687 57.450 58.200 -0.105 0.000 0.994 295 S CB 0.698 63.525 63.200 -0.622 0.000 1.054 295 S HN 0.757 nan 8.310 nan 0.000 0.555 296 L N 1.107 122.482 121.223 0.253 0.000 2.322 296 L HA 0.763 5.102 4.340 -0.002 0.000 0.281 296 L C -0.080 177.016 176.870 0.376 0.000 1.014 296 L CA -0.043 54.976 54.840 0.298 0.000 0.815 296 L CB 0.950 43.331 42.059 0.536 0.000 1.247 296 L HN 0.625 nan 8.230 nan 0.000 0.421 297 G N 5.966 114.895 108.800 0.216 0.000 2.502 297 G HA2 0.554 4.513 3.960 -0.002 0.000 0.311 297 G HA3 0.554 4.513 3.960 -0.002 0.000 0.311 297 G C -1.210 173.957 174.900 0.445 0.000 1.270 297 G CA -0.535 44.730 45.100 0.274 0.000 0.948 297 G HN 0.596 nan 8.290 nan 0.000 0.487 298 L N 2.551 124.071 121.223 0.494 0.000 2.257 298 L HA 0.284 4.623 4.340 -0.002 0.000 0.290 298 L C -0.714 176.374 176.870 0.363 0.000 1.044 298 L CA -1.066 54.022 54.840 0.413 0.000 0.810 298 L CB 1.329 43.566 42.059 0.298 0.000 1.193 298 L HN 0.575 nan 8.230 nan 0.000 0.425 299 Y N 5.485 125.919 120.300 0.224 0.000 2.454 299 Y HA 0.307 4.856 4.550 -0.002 0.000 0.345 299 Y C 0.162 175.919 175.900 -0.238 0.000 0.970 299 Y CA -0.838 57.227 58.100 -0.058 0.000 1.204 299 Y CB 0.054 38.584 38.460 0.116 0.000 1.122 299 Y HN 0.520 nan 8.280 nan 0.000 0.514 300 R N 4.310 124.318 120.500 -0.819 0.000 3.223 300 R HA -0.128 4.211 4.340 -0.002 0.000 0.262 300 R C -2.516 173.542 176.300 -0.402 0.000 1.052 300 R CA 0.621 56.262 56.100 -0.766 0.000 0.700 300 R CB -1.854 27.823 30.300 -1.038 0.000 1.217 300 R HN 0.541 nan 8.270 nan 0.000 0.408 301 P HA -0.129 nan 4.420 nan 0.000 0.225 301 P C 0.940 178.113 177.300 -0.210 0.000 1.148 301 P CA 1.204 64.044 63.100 -0.434 0.000 0.779 301 P CB -0.060 31.415 31.700 -0.376 0.000 0.780 302 D N -1.498 118.782 120.400 -0.201 0.000 2.403 302 D HA -0.200 4.439 4.640 -0.002 0.000 0.227 302 D C 1.604 177.878 176.300 -0.043 0.000 0.995 302 D CA 0.025 53.954 54.000 -0.117 0.000 0.928 302 D CB -0.893 39.768 40.800 -0.232 0.000 0.887 302 D HN 0.257 nan 8.370 nan 0.000 0.529 303 W N 2.519 123.682 121.300 -0.228 0.000 2.290 303 W HA -0.326 4.333 4.660 -0.002 0.000 0.311 303 W C 2.354 178.832 176.519 -0.068 0.000 1.238 303 W CA 2.674 59.914 57.345 -0.174 0.000 1.255 303 W CB -0.399 28.932 29.460 -0.215 0.000 1.145 303 W HN 0.086 nan 8.180 nan 0.000 0.506 304 A N -0.301 122.372 122.820 -0.244 0.000 1.948 304 A HA -0.211 4.108 4.320 -0.002 0.000 0.220 304 A C 1.996 179.514 177.584 -0.111 0.000 1.177 304 A CA 1.794 53.601 52.037 -0.383 0.000 0.636 304 A CB -1.357 17.758 19.000 0.190 0.000 0.815 304 A HN 0.608 nan 8.150 nan 0.000 0.449 305 F N -0.210 119.560 119.950 -0.300 0.000 2.179 305 F HA 0.018 4.544 4.527 -0.002 0.000 0.292 305 F C 2.382 177.922 175.800 -0.434 0.000 1.089 305 F CA 1.737 59.300 58.000 -0.730 0.000 1.295 305 F CB -0.270 38.034 39.000 -1.161 0.000 1.041 305 F HN 0.223 nan 8.300 nan 0.000 0.487 306 Q N -0.222 119.383 119.800 -0.324 0.000 2.230 306 Q HA -0.110 4.229 4.340 -0.002 0.000 0.202 306 Q C 2.084 177.890 176.000 -0.324 0.000 0.963 306 Q CA 1.439 57.049 55.803 -0.321 0.000 0.866 306 Q CB -0.092 28.554 28.738 -0.153 0.000 0.931 306 Q HN 0.483 nan 8.270 nan 0.000 0.452 307 S N -1.468 113.994 115.700 -0.397 0.000 2.593 307 S HA 0.160 4.629 4.470 -0.002 0.000 0.217 307 S C 0.601 175.000 174.600 -0.336 0.000 0.966 307 S CA -0.470 57.511 58.200 -0.365 0.000 0.914 307 S CB 0.513 63.401 63.200 -0.521 0.000 0.776 307 S HN -0.043 nan 8.310 nan 0.000 0.523 308 S N 0.887 116.378 115.700 -0.350 0.000 2.704 308 S HA 0.527 4.996 4.470 -0.002 0.000 0.305 308 S C 0.231 174.612 174.600 -0.365 0.000 1.107 308 S CA -0.777 57.259 58.200 -0.273 0.000 0.993 308 S CB 1.605 64.718 63.200 -0.146 0.000 1.110 308 S HN 0.207 nan 8.310 nan 0.000 0.534 309 E N 0.798 120.748 120.200 -0.416 0.000 2.434 309 E HA 0.128 4.477 4.350 -0.002 0.000 0.207 309 E C 0.371 176.413 176.600 -0.929 0.000 0.929 309 E CA 0.539 56.588 56.400 -0.585 0.000 1.001 309 E CB 0.697 30.191 29.700 -0.343 0.000 1.016 309 E HN 0.787 nan 8.360 nan 0.000 0.502 310 T N -2.092 112.040 114.554 -0.703 0.000 2.906 310 T HA 0.353 4.702 4.350 -0.002 0.000 0.295 310 T C 0.861 175.417 174.700 -0.239 0.000 1.061 310 T CA -0.691 61.074 62.100 -0.558 0.000 1.000 310 T CB 1.996 70.721 68.868 -0.238 0.000 1.103 310 T HN -0.230 nan 8.240 nan 0.000 0.486 311 M N 1.272 120.748 119.600 -0.206 0.000 2.108 311 M HA -0.038 4.441 4.480 -0.002 0.000 0.261 311 M C 1.918 178.223 176.300 0.010 0.000 1.066 311 M CA 1.913 57.136 55.300 -0.130 0.000 1.107 311 M CB -1.065 30.928 32.600 -1.011 0.000 1.356 311 M HN 0.868 nan 8.290 nan 0.000 0.406 312 E N -0.575 119.649 120.200 0.039 0.000 2.051 312 E HA -0.169 4.180 4.350 -0.002 0.000 0.192 312 E C 1.979 178.741 176.600 0.270 0.000 0.991 312 E CA 1.401 57.956 56.400 0.259 0.000 0.799 312 E CB -0.363 29.493 29.700 0.259 0.000 0.748 312 E HN 0.662 nan 8.360 nan 0.000 0.449 313 A N 0.957 123.882 122.820 0.175 0.000 1.930 313 A HA -0.174 4.145 4.320 -0.002 0.000 0.217 313 A C 1.971 179.685 177.584 0.216 0.000 1.175 313 A CA 1.007 53.133 52.037 0.149 0.000 0.627 313 A CB -0.663 18.363 19.000 0.044 0.000 0.815 313 A HN 0.357 nan 8.150 nan 0.000 0.443 314 F N -0.281 119.743 119.950 0.124 0.000 2.069 314 F HA -0.210 4.316 4.527 -0.002 0.000 0.298 314 F C 2.024 178.003 175.800 0.298 0.000 1.113 314 F CA 1.593 59.701 58.000 0.179 0.000 1.214 314 F CB -0.971 38.219 39.000 0.315 0.000 0.978 314 F HN 0.296 nan 8.300 nan 0.000 0.474 315 Y N 0.886 121.126 120.300 -0.100 0.000 2.293 315 Y HA -0.133 4.416 4.550 -0.002 0.000 0.291 315 Y C 2.681 178.692 175.900 0.184 0.000 1.137 315 Y CA 1.723 59.793 58.100 -0.050 0.000 1.202 315 Y CB -0.910 37.699 38.460 0.247 0.000 0.990 315 Y HN 0.322 nan 8.280 nan 0.000 0.537 316 E N 0.209 120.612 120.200 0.339 0.000 2.077 316 E HA -0.222 4.127 4.350 -0.002 0.000 0.193 316 E C 1.995 178.737 176.600 0.238 0.000 0.989 316 E CA 1.410 57.985 56.400 0.293 0.000 0.800 316 E CB 0.008 29.858 29.700 0.250 0.000 0.746 316 E HN 0.371 nan 8.360 nan 0.000 0.452 317 K N 0.295 120.805 120.400 0.183 0.000 2.057 317 K HA -0.143 4.176 4.320 -0.002 0.000 0.207 317 K C 2.188 178.966 176.600 0.295 0.000 1.049 317 K CA 1.423 57.822 56.287 0.187 0.000 0.931 317 K CB -0.041 32.399 32.500 -0.101 0.000 0.714 317 K HN 0.195 nan 8.250 nan 0.000 0.440 318 E N 0.986 121.312 120.200 0.210 0.000 2.085 318 E HA -0.225 4.124 4.350 -0.002 0.000 0.194 318 E C 2.145 178.833 176.600 0.147 0.000 0.994 318 E CA 0.967 57.523 56.400 0.260 0.000 0.801 318 E CB -0.165 29.578 29.700 0.072 0.000 0.743 318 E HN 0.234 nan 8.360 nan 0.000 0.453 319 L N 1.185 122.518 121.223 0.183 0.000 2.012 319 L HA -0.279 4.061 4.340 -0.002 0.000 0.210 319 L C 2.484 179.462 176.870 0.180 0.000 1.073 319 L CA 1.618 56.571 54.840 0.188 0.000 0.748 319 L CB -0.124 42.139 42.059 0.341 0.000 0.891 319 L HN 0.104 nan 8.230 nan 0.000 0.431 320 Q N -1.338 118.601 119.800 0.232 0.000 2.135 320 Q HA -0.252 4.087 4.340 -0.002 0.000 0.204 320 Q C 2.045 178.173 176.000 0.214 0.000 0.981 320 Q CA 2.062 57.993 55.803 0.214 0.000 0.856 320 Q CB -0.220 28.650 28.738 0.220 0.000 0.902 320 Q HN 0.556 nan 8.270 nan 0.000 0.425 321 F N -1.069 118.941 119.950 0.100 0.000 2.128 321 F HA -0.140 4.386 4.527 -0.002 0.000 0.295 321 F C 1.203 177.027 175.800 0.039 0.000 1.100 321 F CA 1.239 59.248 58.000 0.015 0.000 1.260 321 F CB -0.039 38.942 39.000 -0.033 0.000 1.009 321 F HN 0.041 nan 8.300 nan 0.000 0.476 322 W N -1.115 120.281 121.300 0.159 0.000 2.640 322 W HA 0.119 4.778 4.660 -0.002 0.000 0.268 322 W C 2.021 178.415 176.519 -0.208 0.000 1.263 322 W CA 0.905 58.211 57.345 -0.065 0.000 1.344 322 W CB -0.339 28.850 29.460 -0.452 0.000 1.093 322 W HN -0.250 nan 8.180 nan 0.000 0.603 323 V N -0.836 119.125 119.914 0.078 0.000 2.788 323 V HA 0.512 4.631 4.120 -0.002 0.000 0.241 323 V C 1.055 177.155 176.094 0.010 0.000 1.083 323 V CA 1.245 63.582 62.300 0.062 0.000 1.103 323 V CB -0.307 31.622 31.823 0.176 0.000 0.800 323 V HN 0.148 nan 8.190 nan 0.000 0.476 324 G N -0.403 108.439 108.800 0.070 0.000 2.408 324 G HA2 -0.097 3.863 3.960 -0.002 0.000 0.682 324 G HA3 -0.097 3.863 3.960 -0.002 0.000 0.682 324 G C 0.309 175.263 174.900 0.091 0.000 1.303 324 G CA -0.036 45.103 45.100 0.066 0.000 0.966 324 G HN -0.021 nan 8.290 nan 0.000 0.560 325 S N -0.708 115.037 115.700 0.076 0.000 2.447 325 S HA -0.053 4.416 4.470 -0.002 0.000 0.233 325 S C 2.526 177.168 174.600 0.070 0.000 1.006 325 S CA 2.134 60.381 58.200 0.079 0.000 0.957 325 S CB -0.277 62.961 63.200 0.063 0.000 0.773 325 S HN 0.811 nan 8.310 nan 0.000 0.507 326 T N 0.756 115.337 114.554 0.045 0.000 2.788 326 T HA 0.036 4.386 4.350 -0.002 0.000 0.268 326 T C 1.628 176.382 174.700 0.091 0.000 1.044 326 T CA 1.224 63.353 62.100 0.047 0.000 1.139 326 T CB -0.661 68.216 68.868 0.015 0.000 0.867 326 T HN 0.618 nan 8.240 nan 0.000 0.454 327 G N 1.986 110.857 108.800 0.119 0.000 2.160 327 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.251 327 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.251 327 G C 0.013 175.024 174.900 0.186 0.000 1.008 327 G CA 0.270 45.479 45.100 0.182 0.000 0.724 327 G HN 0.632 nan 8.290 nan 0.000 0.514 328 N N -0.412 118.365 118.700 0.127 0.000 2.549 328 N HA 0.390 5.129 4.740 -0.002 0.000 0.290 328 N C -1.381 174.181 175.510 0.085 0.000 1.122 328 N CA -1.587 51.529 53.050 0.110 0.000 0.885 328 N CB 2.119 40.654 38.487 0.081 0.000 1.455 328 N HN -0.055 nan 8.380 nan 0.000 0.521 329 P HA -0.034 nan 4.420 nan 0.000 0.225 329 P C 0.690 178.038 177.300 0.080 0.000 1.148 329 P CA 0.715 63.915 63.100 0.166 0.000 0.779 329 P CB 0.416 32.343 31.700 0.378 0.000 0.780 330 A N -0.065 122.765 122.820 0.017 0.000 2.095 330 A HA 0.028 4.347 4.320 -0.002 0.000 0.212 330 A C 1.302 178.867 177.584 -0.031 0.000 1.162 330 A CA 0.693 52.710 52.037 -0.034 0.000 0.753 330 A CB -0.145 18.801 19.000 -0.090 0.000 0.840 330 A HN 0.017 nan 8.150 nan 0.000 0.468 331 E N 1.608 121.798 120.200 -0.016 0.000 3.582 331 E HA 0.131 4.480 4.350 -0.002 0.000 0.217 331 E C -0.401 176.178 176.600 -0.035 0.000 1.092 331 E CA -0.074 56.313 56.400 -0.022 0.000 1.365 331 E CB -0.189 29.508 29.700 -0.005 0.000 1.278 331 E HN 0.538 nan 8.360 nan 0.000 0.439 332 T N -1.371 113.153 114.554 -0.051 0.000 2.899 332 T HA 0.220 4.569 4.350 -0.002 0.000 0.295 332 T C 0.126 174.736 174.700 -0.149 0.000 1.033 332 T CA -0.690 61.350 62.100 -0.100 0.000 1.084 332 T CB 1.644 70.447 68.868 -0.109 0.000 0.979 332 T HN -0.109 nan 8.240 nan 0.000 0.532 333 D N 0.710 120.956 120.400 -0.257 0.000 2.454 333 D HA 0.386 5.025 4.640 -0.002 0.000 0.225 333 D C 1.246 177.224 176.300 -0.536 0.000 1.081 333 D CA -0.600 53.230 54.000 -0.282 0.000 0.864 333 D CB 0.367 41.067 40.800 -0.168 0.000 1.040 333 D HN 0.724 nan 8.370 nan 0.000 0.517 334 G N 2.485 110.885 108.800 -0.668 0.000 2.776 334 G HA2 -0.151 3.809 3.960 -0.002 0.000 0.209 334 G HA3 -0.151 3.809 3.960 -0.002 0.000 0.209 334 G C 0.950 175.628 174.900 -0.369 0.000 1.145 334 G CA 0.297 44.844 45.100 -0.921 0.000 0.791 334 G HN 0.389 nan 8.290 nan 0.000 0.530 335 Q N 0.109 119.775 119.800 -0.222 0.000 2.281 335 Q HA 0.172 4.511 4.340 -0.002 0.000 0.215 335 Q C 1.329 177.293 176.000 -0.060 0.000 0.867 335 Q CA -0.113 55.638 55.803 -0.087 0.000 0.940 335 Q CB 0.469 29.179 28.738 -0.048 0.000 1.111 335 Q HN 0.385 nan 8.270 nan 0.000 0.513 336 S N 1.197 116.830 115.700 -0.112 0.000 2.576 336 S HA 0.057 4.526 4.470 -0.002 0.000 0.272 336 S C 1.161 175.775 174.600 0.025 0.000 1.352 336 S CA -0.360 57.810 58.200 -0.049 0.000 1.021 336 S CB 0.636 63.786 63.200 -0.083 0.000 0.887 336 S HN 0.136 nan 8.310 nan 0.000 0.542 337 N N 1.411 120.173 118.700 0.102 0.000 2.289 337 N HA -0.033 4.706 4.740 -0.002 0.000 0.184 337 N C -0.165 175.560 175.510 0.358 0.000 1.016 337 N CA 0.874 54.049 53.050 0.207 0.000 0.872 337 N CB -0.077 38.515 38.487 0.175 0.000 0.973 337 N HN 0.737 nan 8.380 nan 0.000 0.433 338 W N 1.317 122.626 121.300 0.015 0.000 2.516 338 W HA 0.283 4.942 4.660 -0.002 0.000 0.293 338 W C -2.395 173.988 176.519 -0.228 0.000 1.006 338 W CA -1.693 55.623 57.345 -0.048 0.000 1.483 338 W CB 1.537 30.946 29.460 -0.086 0.000 1.316 338 W HN -0.015 nan 8.180 nan 0.000 0.411 339 P HA 0.008 nan 4.420 nan 0.000 0.223 339 P C 0.603 177.494 177.300 -0.682 0.000 1.151 339 P CA 1.627 64.261 63.100 -0.777 0.000 0.787 339 P CB 0.379 31.258 31.700 -1.368 0.000 0.788 340 G N -1.164 107.173 108.800 -0.773 0.000 2.692 340 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.686 340 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.686 340 G C 0.430 175.031 174.900 -0.498 0.000 1.243 340 G CA -0.425 44.397 45.100 -0.463 0.000 0.782 340 G HN -0.162 nan 8.290 nan 0.000 0.625 341 M N 1.151 120.572 119.600 -0.298 0.000 2.279 341 M HA -0.058 4.421 4.480 -0.002 0.000 0.264 341 M C 2.876 179.059 176.300 -0.195 0.000 1.062 341 M CA 2.256 57.511 55.300 -0.075 0.000 1.099 341 M CB -1.629 30.998 32.600 0.046 0.000 1.394 341 M HN 1.314 nan 8.290 nan 0.000 0.426 342 A N -1.111 121.406 122.820 -0.506 0.000 2.070 342 A HA -0.214 4.105 4.320 -0.002 0.000 0.220 342 A C 1.950 179.359 177.584 -0.292 0.000 1.159 342 A CA 1.861 53.630 52.037 -0.446 0.000 0.656 342 A CB -1.111 17.743 19.000 -0.243 0.000 0.800 342 A HN 0.576 nan 8.150 nan 0.000 0.453 343 H N -2.247 116.459 119.070 -0.607 0.000 2.457 343 H HA -0.108 4.448 4.556 -0.002 0.000 0.294 343 H C 1.429 176.142 175.328 -1.025 0.000 1.064 343 H CA 1.976 57.468 56.048 -0.926 0.000 1.330 343 H CB -0.019 28.852 29.762 -1.485 0.000 1.395 343 H HN 0.672 nan 8.280 nan 0.000 0.541 344 W N -1.322 119.608 121.300 -0.616 0.000 2.873 344 W HA 0.232 4.891 4.660 -0.001 0.000 0.282 344 W C -0.613 175.338 176.519 -0.947 0.000 1.118 344 W CA -0.185 56.552 57.345 -1.014 0.000 1.480 344 W CB 0.225 28.690 29.460 -1.659 0.000 0.954 344 W HN -0.035 nan 8.180 nan 0.000 0.591 345 F N 1.502 121.456 119.950 0.006 0.000 2.477 345 F HA 0.422 4.948 4.527 -0.002 0.000 0.335 345 F C -2.145 173.805 175.800 0.250 0.000 1.130 345 F CA -2.733 55.360 58.000 0.154 0.000 0.948 345 F CB 0.749 39.916 39.000 0.278 0.000 1.154 345 F HN -0.455 nan 8.300 nan 0.000 0.439 346 P HA 0.114 nan 4.420 nan 0.000 0.266 346 P C -0.665 176.906 177.300 0.450 0.000 1.195 346 P CA -0.137 63.172 63.100 0.348 0.000 0.768 346 P CB 0.610 32.447 31.700 0.227 0.000 0.838 347 A N 3.833 126.888 122.820 0.393 0.000 2.401 347 A HA 0.338 4.657 4.320 -0.002 0.000 0.259 347 A C 0.289 177.903 177.584 0.050 0.000 1.103 347 A CA -0.158 51.934 52.037 0.091 0.000 0.789 347 A CB 0.034 19.003 19.000 -0.052 0.000 1.035 347 A HN 0.388 nan 8.150 nan 0.000 0.491 348 K N 1.095 121.506 120.400 0.017 0.000 2.166 348 K HA 0.680 4.999 4.320 -0.002 0.000 0.245 348 K C -0.635 175.927 176.600 -0.064 0.000 0.967 348 K CA -0.529 55.766 56.287 0.014 0.000 0.863 348 K CB 1.784 34.328 32.500 0.072 0.000 1.107 348 K HN 0.520 nan 8.250 nan 0.000 0.436 349 S N -0.255 115.396 115.700 -0.081 0.000 2.547 349 S HA 0.203 4.672 4.470 -0.002 0.000 0.281 349 S C -0.098 174.442 174.600 -0.100 0.000 1.118 349 S CA -0.492 57.629 58.200 -0.131 0.000 0.947 349 S CB 1.657 64.726 63.200 -0.219 0.000 1.053 349 S HN 0.626 nan 8.310 nan 0.000 0.482 350 T N 2.867 117.368 114.554 -0.088 0.000 3.145 350 T HA 0.355 4.705 4.350 -0.002 0.000 0.255 350 T C 0.638 175.269 174.700 -0.114 0.000 1.039 350 T CA 0.392 62.453 62.100 -0.065 0.000 0.928 350 T CB -0.530 68.328 68.868 -0.017 0.000 1.029 350 T HN 0.731 nan 8.240 nan 0.000 0.554 351 A N 1.718 124.365 122.820 -0.288 0.000 3.051 351 A HA 0.376 4.695 4.320 -0.002 0.000 0.257 351 A C 1.364 178.724 177.584 -0.373 0.000 1.785 351 A CA 0.073 51.745 52.037 -0.609 0.000 1.420 351 A CB -1.075 17.112 19.000 -1.355 0.000 1.063 351 A HN 0.542 nan 8.150 nan 0.000 0.630 352 T N -3.270 111.178 114.554 -0.177 0.000 3.231 352 T HA 0.457 4.806 4.350 -0.002 0.000 0.292 352 T C 0.093 174.758 174.700 -0.059 0.000 1.001 352 T CA 0.229 62.261 62.100 -0.112 0.000 0.920 352 T CB -0.098 68.725 68.868 -0.076 0.000 1.140 352 T HN 0.462 nan 8.240 nan 0.000 0.525 353 S N 0.525 116.204 115.700 -0.035 0.000 2.566 353 S HA 0.589 5.058 4.470 -0.002 0.000 0.273 353 S C -1.018 173.605 174.600 0.039 0.000 1.157 353 S CA -0.479 57.725 58.200 0.007 0.000 0.938 353 S CB 1.652 64.867 63.200 0.023 0.000 1.087 353 S HN 0.230 nan 8.310 nan 0.000 0.474 354 V N 6.394 126.326 119.914 0.029 0.000 2.432 354 V HA 0.481 4.600 4.120 -0.002 0.000 0.275 354 V C -1.783 174.335 176.094 0.040 0.000 1.043 354 V CA -1.297 61.026 62.300 0.039 0.000 0.925 354 V CB 0.922 32.757 31.823 0.019 0.000 0.985 354 V HN 0.800 nan 8.190 nan 0.000 0.466 355 P HA 0.332 nan 4.420 nan 0.000 0.285 355 P C -1.036 176.311 177.300 0.078 0.000 1.259 355 P CA -0.396 62.731 63.100 0.045 0.000 0.794 355 P CB 0.655 32.370 31.700 0.024 0.000 0.940 356 F N 4.126 124.023 119.950 -0.088 0.000 2.410 356 F HA 0.467 4.993 4.527 -0.002 0.000 0.349 356 F C -0.981 174.713 175.800 -0.177 0.000 1.117 356 F CA -0.707 57.207 58.000 -0.144 0.000 1.104 356 F CB 0.951 39.829 39.000 -0.203 0.000 1.122 356 F HN 0.065 nan 8.300 nan 0.000 0.483 357 V N 5.228 124.572 119.914 -0.949 0.000 2.686 357 V HA 0.558 4.677 4.120 -0.002 0.000 0.306 357 V C -0.446 175.007 176.094 -1.067 0.000 1.065 357 V CA -0.613 61.181 62.300 -0.844 0.000 0.894 357 V CB 1.832 33.406 31.823 -0.415 0.000 1.004 357 V HN 0.867 nan 8.190 nan 0.000 0.424 358 T N 1.811 115.718 114.554 -1.078 0.000 2.909 358 T HA 0.610 4.959 4.350 -0.002 0.000 0.299 358 T C -0.491 173.639 174.700 -0.951 0.000 1.073 358 T CA -0.251 61.312 62.100 -0.895 0.000 0.999 358 T CB 1.366 69.704 68.868 -0.883 0.000 1.098 358 T HN 0.824 nan 8.240 nan 0.000 0.477 359 H N 2.461 121.247 119.070 -0.475 0.000 2.916 359 H HA 0.374 4.929 4.556 -0.002 0.000 0.262 359 H C -0.204 175.192 175.328 0.113 0.000 1.178 359 H CA -0.342 55.586 56.048 -0.201 0.000 1.090 359 H CB -0.073 29.517 29.762 -0.288 0.000 1.657 359 H HN 0.634 nan 8.280 nan 0.000 0.601 360 F N -0.130 119.936 119.950 0.194 0.000 3.093 360 F HA -0.299 4.227 4.527 -0.001 0.000 0.287 360 F C 0.481 176.418 175.800 0.228 0.000 0.882 360 F CA 0.171 58.359 58.000 0.313 0.000 1.063 360 F CB -1.631 37.610 39.000 0.402 0.000 1.097 360 F HN 0.348 nan 8.300 nan 0.000 0.604 361 N N 1.347 120.204 118.700 0.261 0.000 2.420 361 N HA 0.083 4.822 4.740 -0.002 0.000 0.262 361 N C 1.264 176.888 175.510 0.190 0.000 1.144 361 N CA 0.957 54.150 53.050 0.238 0.000 0.952 361 N CB 1.114 39.742 38.487 0.235 0.000 1.081 361 N HN 0.342 nan 8.380 nan 0.000 0.480 362 T N 0.586 115.240 114.554 0.167 0.000 3.088 362 T HA 0.192 4.541 4.350 -0.002 0.000 0.259 362 T C 1.210 176.023 174.700 0.188 0.000 1.122 362 T CA 0.622 62.787 62.100 0.109 0.000 1.095 362 T CB 0.030 68.967 68.868 0.114 0.000 0.930 362 T HN 0.626 nan 8.240 nan 0.000 0.508 363 G N 0.662 109.590 108.800 0.212 0.000 2.184 363 G HA2 -0.085 3.874 3.960 -0.002 0.000 0.206 363 G HA3 -0.085 3.874 3.960 -0.002 0.000 0.206 363 G C 0.185 175.022 174.900 -0.104 0.000 0.995 363 G CA 0.229 45.445 45.100 0.193 0.000 0.651 363 G HN 1.550 nan 8.290 nan 0.000 0.511 364 S N -1.412 114.055 115.700 -0.388 0.000 2.615 364 S HA 0.955 5.424 4.470 -0.002 0.000 0.269 364 S C -0.305 173.815 174.600 -0.801 0.000 1.161 364 S CA 0.346 57.956 58.200 -0.984 0.000 0.817 364 S CB 2.027 65.001 63.200 -0.375 0.000 1.131 364 S HN 2.041 nan 8.310 nan 0.000 0.467 365 G N -0.879 107.263 108.800 -1.096 0.000 2.623 365 G HA2 0.704 4.663 3.960 -0.002 0.000 0.290 365 G HA3 0.704 4.663 3.960 -0.002 0.000 0.290 365 G C 0.051 174.410 174.900 -0.901 0.000 1.437 365 G CA -0.200 44.526 45.100 -0.624 0.000 0.798 365 G HN 1.433 nan 8.290 nan 0.000 0.488 366 A N -0.799 121.469 122.820 -0.920 0.000 2.275 366 A HA 0.538 4.858 4.320 -0.002 0.000 0.212 366 A C 0.788 178.325 177.584 -0.078 0.000 1.201 366 A CA 1.401 53.079 52.037 -0.598 0.000 0.843 366 A CB 0.007 18.647 19.000 -0.600 0.000 0.873 366 A HN 0.922 nan 8.150 nan 0.000 0.492 367 Q N -1.558 118.323 119.800 0.136 0.000 2.702 367 Q HA 0.403 4.742 4.340 -0.002 0.000 0.289 367 Q C -2.417 173.855 176.000 0.453 0.000 0.923 367 Q CA -0.557 55.399 55.803 0.255 0.000 0.787 367 Q CB 0.704 29.519 28.738 0.128 0.000 1.476 367 Q HN 0.157 nan 8.270 nan 0.000 0.402 368 F N 0.880 120.920 119.950 0.150 0.000 2.539 368 F HA 0.637 5.163 4.527 -0.001 0.000 0.318 368 F C -0.936 174.854 175.800 -0.016 0.000 1.135 368 F CA -0.177 57.827 58.000 0.006 0.000 0.915 368 F CB 2.291 41.090 39.000 -0.335 0.000 1.176 368 F HN 0.453 nan 8.300 nan 0.000 0.440 369 S N 3.208 118.935 115.700 0.045 0.000 2.537 369 S HA 0.906 5.375 4.470 -0.002 0.000 0.301 369 S C -0.991 173.631 174.600 0.037 0.000 1.092 369 S CA -0.618 57.607 58.200 0.042 0.000 1.048 369 S CB 1.651 64.816 63.200 -0.058 0.000 1.053 369 S HN 0.802 nan 8.310 nan 0.000 0.501 370 A N 1.900 124.711 122.820 -0.014 0.000 2.353 370 A HA 0.679 4.998 4.320 -0.002 0.000 0.299 370 A C -0.000 177.387 177.584 -0.328 0.000 1.089 370 A CA -0.586 51.389 52.037 -0.103 0.000 0.736 370 A CB 0.137 19.174 19.000 0.061 0.000 1.195 370 A HN 0.928 nan 8.150 nan 0.000 0.447 371 E N 1.386 121.161 120.200 -0.707 0.000 2.440 371 E HA -0.270 4.079 4.350 -0.002 0.000 0.246 371 E C 1.015 177.125 176.600 -0.817 0.000 1.165 371 E CA 1.178 56.932 56.400 -1.076 0.000 0.726 371 E CB -1.516 27.914 29.700 -0.450 0.000 1.271 371 E HN 2.300 nan 8.360 nan 0.000 0.397 372 G N -0.014 108.300 108.800 -0.811 0.000 2.162 372 G HA2 -0.357 3.603 3.960 -0.002 0.000 0.260 372 G HA3 -0.357 3.603 3.960 -0.002 0.000 0.260 372 G C 0.100 175.042 174.900 0.070 0.000 0.976 372 G CA 0.836 45.791 45.100 -0.241 0.000 0.655 372 G HN 0.226 nan 8.290 nan 0.000 0.533 373 K N 0.657 121.034 120.400 -0.038 0.000 2.292 373 K HA 0.462 4.781 4.320 -0.002 0.000 0.257 373 K C -0.043 176.578 176.600 0.035 0.000 0.940 373 K CA -0.532 55.770 56.287 0.025 0.000 0.811 373 K CB 1.307 33.807 32.500 -0.000 0.000 1.120 373 K HN 0.066 nan 8.250 nan 0.000 0.428 374 T N 2.013 116.605 114.554 0.064 0.000 2.829 374 T HA 0.011 4.360 4.350 -0.002 0.000 0.293 374 T C 1.261 176.012 174.700 0.086 0.000 0.970 374 T CA -0.141 62.010 62.100 0.085 0.000 1.168 374 T CB 0.235 69.150 68.868 0.079 0.000 0.911 374 T HN 0.485 nan 8.240 nan 0.000 0.535 375 V N 0.821 120.808 119.914 0.122 0.000 3.643 375 V HA 0.504 4.623 4.120 -0.002 0.000 0.280 375 V C 0.596 176.738 176.094 0.080 0.000 1.351 375 V CA -0.189 62.188 62.300 0.127 0.000 1.073 375 V CB 0.394 32.356 31.823 0.232 0.000 0.863 375 V HN 0.672 nan 8.190 nan 0.000 0.436 376 S N -0.125 115.627 115.700 0.087 0.000 2.562 376 S HA 0.438 4.907 4.470 -0.002 0.000 0.274 376 S C -0.087 174.580 174.600 0.112 0.000 1.160 376 S CA -0.389 57.850 58.200 0.065 0.000 0.933 376 S CB 1.997 65.196 63.200 -0.002 0.000 1.100 376 S HN 0.273 nan 8.310 nan 0.000 0.468 377 E N 1.869 122.122 120.200 0.089 0.000 2.479 377 E HA 0.131 4.480 4.350 -0.002 0.000 0.193 377 E C -0.073 176.588 176.600 0.102 0.000 1.049 377 E CA 0.207 56.661 56.400 0.090 0.000 0.870 377 E CB 0.331 30.069 29.700 0.062 0.000 0.944 377 E HN 0.587 nan 8.360 nan 0.000 0.492 378 Q N 0.743 120.618 119.800 0.126 0.000 2.299 378 Q HA 0.178 4.517 4.340 -0.002 0.000 0.246 378 Q C 0.130 176.262 176.000 0.221 0.000 0.935 378 Q CA -0.046 55.842 55.803 0.141 0.000 0.887 378 Q CB 0.951 29.764 28.738 0.124 0.000 1.223 378 Q HN 0.120 nan 8.270 nan 0.000 0.439 379 E N 2.478 122.775 120.200 0.162 0.000 2.437 379 E HA 0.074 4.423 4.350 -0.002 0.000 0.263 379 E C -0.430 176.344 176.600 0.290 0.000 1.030 379 E CA 0.306 56.797 56.400 0.152 0.000 0.934 379 E CB 0.517 30.293 29.700 0.127 0.000 0.943 379 E HN 0.495 nan 8.360 nan 0.000 0.444 380 W N 1.691 123.071 121.300 0.133 0.000 3.363 380 W HA 0.385 5.044 4.660 -0.002 0.000 0.306 380 W C -1.710 174.915 176.519 0.178 0.000 1.253 380 W CA -1.058 56.371 57.345 0.141 0.000 1.195 380 W CB 0.299 29.857 29.460 0.164 0.000 1.366 380 W HN 0.569 nan 8.180 nan 0.000 0.551 381 N N 1.573 120.406 118.700 0.221 0.000 2.225 381 N HA 0.542 5.281 4.740 -0.002 0.000 0.298 381 N C -1.729 174.033 175.510 0.421 0.000 1.076 381 N CA -0.668 52.436 53.050 0.091 0.000 0.792 381 N CB 2.085 40.547 38.487 -0.041 0.000 1.498 381 N HN 0.413 nan 8.380 nan 0.000 0.474 382 N N 0.840 119.839 118.700 0.498 0.000 2.932 382 N HA 0.199 4.938 4.740 -0.002 0.000 0.242 382 N C -0.677 175.039 175.510 0.342 0.000 1.351 382 N CA -0.343 52.948 53.050 0.401 0.000 0.785 382 N CB 0.928 39.663 38.487 0.414 0.000 1.501 382 N HN 0.707 nan 8.380 nan 0.000 0.584 383 R N 0.304 120.929 120.500 0.208 0.000 2.328 383 R HA 0.072 4.411 4.340 -0.002 0.000 0.207 383 R C 1.188 177.580 176.300 0.152 0.000 1.056 383 R CA 0.768 56.979 56.100 0.186 0.000 1.016 383 R CB 0.150 30.545 30.300 0.160 0.000 0.872 383 R HN 0.318 nan 8.270 nan 0.000 0.471 384 S N 0.764 116.545 115.700 0.135 0.000 2.447 384 S HA 0.008 4.477 4.470 -0.002 0.000 0.233 384 S C 1.512 176.176 174.600 0.107 0.000 1.006 384 S CA 0.787 59.041 58.200 0.089 0.000 0.957 384 S CB 0.067 63.317 63.200 0.083 0.000 0.773 384 S HN 0.298 nan 8.310 nan 0.000 0.507 385 L N 0.743 122.078 121.223 0.187 0.000 2.567 385 L HA 0.199 4.538 4.340 -0.002 0.000 0.225 385 L C 1.088 178.127 176.870 0.280 0.000 1.119 385 L CA 0.005 54.983 54.840 0.231 0.000 0.871 385 L CB -0.260 41.926 42.059 0.212 0.000 1.036 385 L HN 0.278 nan 8.230 nan 0.000 0.459 386 Q N 1.727 121.673 119.800 0.243 0.000 2.263 386 Q HA -0.018 4.321 4.340 -0.002 0.000 0.289 386 Q C -0.559 175.545 176.000 0.173 0.000 1.061 386 Q CA 0.064 55.995 55.803 0.212 0.000 0.927 386 Q CB 0.738 29.596 28.738 0.201 0.000 1.154 386 Q HN 0.185 nan 8.270 nan 0.000 0.378 387 D N 2.059 122.551 120.400 0.154 0.000 2.411 387 D HA 0.127 4.766 4.640 -0.002 0.000 0.251 387 D C -0.451 175.906 176.300 0.095 0.000 1.201 387 D CA -0.343 53.717 54.000 0.100 0.000 0.996 387 D CB 0.919 41.725 40.800 0.009 0.000 1.101 387 D HN 0.304 nan 8.370 nan 0.000 0.504 388 V N 1.942 121.911 119.914 0.092 0.000 2.421 388 V HA 0.060 4.179 4.120 -0.002 0.000 0.271 388 V C 0.628 176.887 176.094 0.274 0.000 1.031 388 V CA 0.029 62.433 62.300 0.173 0.000 1.032 388 V CB -0.406 31.580 31.823 0.272 0.000 1.009 388 V HN 0.201 nan 8.190 nan 0.000 0.477 389 L N 6.881 128.225 121.223 0.200 0.000 2.416 389 L HA 0.487 4.826 4.340 -0.002 0.000 0.262 389 L C -2.143 174.674 176.870 -0.088 0.000 1.093 389 L CA -2.149 52.816 54.840 0.208 0.000 0.801 389 L CB 0.863 43.029 42.059 0.179 0.000 1.191 389 L HN 0.356 nan 8.230 nan 0.000 0.459 390 P HA -0.029 nan 4.420 nan 0.000 0.263 390 P C 0.365 177.076 177.300 -0.982 0.000 1.175 390 P CA 0.287 62.820 63.100 -0.946 0.000 0.761 390 P CB 0.439 31.848 31.700 -0.486 0.000 0.794 391 T N 1.055 114.917 114.554 -1.153 0.000 2.788 391 T HA -0.093 4.257 4.350 -0.002 0.000 0.268 391 T C 0.227 174.261 174.700 -1.111 0.000 1.044 391 T CA 1.188 62.506 62.100 -1.303 0.000 1.139 391 T CB -0.164 67.761 68.868 -1.572 0.000 0.867 391 T HN 0.427 nan 8.240 nan 0.000 0.454 392 W N 2.349 123.382 121.300 -0.446 0.000 2.417 392 W HA 0.498 5.157 4.660 -0.001 0.000 0.315 392 W C -0.363 175.878 176.519 -0.463 0.000 1.045 392 W CA -1.054 56.124 57.345 -0.279 0.000 1.221 392 W CB 0.500 29.869 29.460 -0.151 0.000 1.309 392 W HN -0.132 nan 8.180 nan 0.000 0.453 393 R N 3.039 123.365 120.500 -0.291 0.000 2.415 393 R HA 0.340 4.679 4.340 -0.002 0.000 0.292 393 R C -1.284 174.808 176.300 -0.347 0.000 1.295 393 R CA -0.361 55.117 56.100 -1.037 0.000 1.137 393 R CB 0.755 30.407 30.300 -1.080 0.000 1.135 393 R HN 0.401 nan 8.270 nan 0.000 0.560 394 W N 2.367 123.757 121.300 0.150 0.000 3.032 394 W HA 0.542 5.201 4.660 -0.001 0.000 0.335 394 W C -0.096 176.427 176.519 0.006 0.000 1.154 394 W CA -0.677 56.705 57.345 0.062 0.000 1.204 394 W CB 1.607 31.069 29.460 0.004 0.000 1.416 394 W HN 0.188 nan 8.180 nan 0.000 0.521 395 I N 3.140 123.806 120.570 0.161 0.000 2.390 395 I HA 0.266 4.435 4.170 -0.002 0.000 0.283 395 I C -0.351 175.625 176.117 -0.236 0.000 1.016 395 I CA -0.678 60.572 61.300 -0.083 0.000 1.151 395 I CB 0.788 38.633 38.000 -0.259 0.000 1.293 395 I HN 0.374 nan 8.210 nan 0.000 0.458 396 Q N 5.121 124.799 119.800 -0.204 0.000 2.351 396 Q HA 0.600 4.939 4.340 -0.002 0.000 0.273 396 Q C -1.180 174.643 176.000 -0.295 0.000 1.077 396 Q CA -1.017 54.652 55.803 -0.223 0.000 0.843 396 Q CB 2.687 31.455 28.738 0.049 0.000 1.367 396 Q HN 0.456 nan 8.270 nan 0.000 0.449 397 H N -0.268 118.813 119.070 0.019 0.000 2.771 397 H HA 0.555 5.110 4.556 -0.002 0.000 0.361 397 H C 0.152 175.493 175.328 0.022 0.000 1.108 397 H CA -0.083 55.964 56.048 -0.002 0.000 1.201 397 H CB 1.736 31.473 29.762 -0.042 0.000 1.681 397 H HN 0.906 nan 8.280 nan 0.000 0.534 398 G N 0.840 109.718 108.800 0.131 0.000 2.819 398 G HA2 0.298 4.257 3.960 -0.002 0.000 0.682 398 G HA3 0.298 4.257 3.960 -0.002 0.000 0.682 398 G C 0.330 175.244 174.900 0.024 0.000 1.481 398 G CA 0.065 45.202 45.100 0.061 0.000 0.904 398 G HN 1.482 nan 8.290 nan 0.000 0.563 399 G N -0.129 108.656 108.800 -0.025 0.000 2.796 399 G HA2 0.288 4.247 3.960 -0.002 0.000 0.226 399 G HA3 0.288 4.247 3.960 -0.002 0.000 0.226 399 G C -0.187 174.669 174.900 -0.074 0.000 1.381 399 G CA 0.997 46.049 45.100 -0.080 0.000 0.867 399 G HN 2.184 nan 8.290 nan 0.000 0.552 400 D N -0.065 120.265 120.400 -0.116 0.000 2.517 400 D HA 0.554 5.193 4.640 -0.002 0.000 0.301 400 D C 0.276 176.477 176.300 -0.164 0.000 1.202 400 D CA -0.289 53.645 54.000 -0.110 0.000 0.910 400 D CB -0.318 40.420 40.800 -0.102 0.000 1.021 400 D HN 0.573 nan 8.370 nan 0.000 0.499 401 L N 0.845 121.978 121.223 -0.150 0.000 2.333 401 L HA 0.597 4.936 4.340 -0.002 0.000 0.269 401 L C 0.091 176.888 176.870 -0.122 0.000 1.010 401 L CA -1.079 53.627 54.840 -0.223 0.000 0.818 401 L CB 2.304 44.141 42.059 -0.370 0.000 1.306 401 L HN 0.129 nan 8.230 nan 0.000 0.430 402 E N 1.200 121.270 120.200 -0.216 0.000 2.212 402 E HA 0.723 5.072 4.350 -0.002 0.000 0.268 402 E C -1.452 175.115 176.600 -0.054 0.000 0.902 402 E CA -0.805 55.511 56.400 -0.140 0.000 0.779 402 E CB 2.061 31.639 29.700 -0.203 0.000 1.172 402 E HN 0.663 nan 8.360 nan 0.000 0.409 403 A N 3.294 125.937 122.820 -0.294 0.000 2.303 403 A HA 0.629 4.948 4.320 -0.002 0.000 0.320 403 A C -0.489 176.442 177.584 -1.088 0.000 1.192 403 A CA -0.369 51.212 52.037 -0.761 0.000 0.821 403 A CB 1.781 20.027 19.000 -1.257 0.000 1.188 403 A HN 0.556 nan 8.150 nan 0.000 0.492 404 T N 1.073 115.190 114.554 -0.729 0.000 2.792 404 T HA 0.627 4.976 4.350 -0.002 0.000 0.303 404 T C -1.341 173.111 174.700 -0.413 0.000 1.310 404 T CA -0.422 61.461 62.100 -0.362 0.000 1.007 404 T CB 0.400 69.269 68.868 0.003 0.000 1.335 404 T HN 0.343 nan 8.240 nan 0.000 0.504 405 F N 2.105 122.023 119.950 -0.053 0.000 2.399 405 F HA 0.587 5.113 4.527 -0.001 0.000 0.342 405 F C 1.102 176.508 175.800 -0.656 0.000 1.106 405 F CA -0.121 57.659 58.000 -0.367 0.000 1.196 405 F CB 1.482 40.194 39.000 -0.479 0.000 1.163 405 F HN 0.393 nan 8.300 nan 0.000 0.547 406 S N 2.996 118.448 115.700 -0.414 0.000 2.482 406 S HA 0.370 4.839 4.470 -0.002 0.000 0.303 406 S C -0.321 174.020 174.600 -0.433 0.000 1.091 406 S CA -0.643 57.391 58.200 -0.276 0.000 1.057 406 S CB 0.639 63.897 63.200 0.098 0.000 1.031 406 S HN 0.684 nan 8.310 nan 0.000 0.485 407 W N 2.709 124.110 121.300 0.167 0.000 3.102 407 W HA 0.293 4.952 4.660 -0.002 0.000 0.401 407 W C 0.779 177.307 176.519 0.016 0.000 1.070 407 W CA -0.322 57.076 57.345 0.089 0.000 1.921 407 W CB 0.259 29.777 29.460 0.097 0.000 1.118 407 W HN 0.712 nan 8.180 nan 0.000 0.647 408 E N 0.512 120.796 120.200 0.141 0.000 2.216 408 E HA 0.015 4.364 4.350 -0.002 0.000 0.192 408 E C 0.499 177.077 176.600 -0.038 0.000 0.973 408 E CA 0.994 57.417 56.400 0.039 0.000 0.851 408 E CB 0.559 30.258 29.700 -0.001 0.000 0.804 408 E HN 0.186 nan 8.360 nan 0.000 0.477 409 E N -0.086 120.075 120.200 -0.066 0.000 2.266 409 E HA 0.684 5.033 4.350 -0.002 0.000 0.268 409 E C -0.960 175.767 176.600 0.211 0.000 0.879 409 E CA -0.785 55.608 56.400 -0.011 0.000 0.762 409 E CB 2.557 32.023 29.700 -0.391 0.000 1.199 409 E HN -0.004 nan 8.360 nan 0.000 0.422 410 A N 1.829 124.849 122.820 0.333 0.000 2.566 410 A HA 0.483 4.802 4.320 -0.002 0.000 0.297 410 A C -0.979 176.598 177.584 -0.012 0.000 1.059 410 A CA -0.680 51.476 52.037 0.197 0.000 0.691 410 A CB 0.700 19.748 19.000 0.079 0.000 1.282 410 A HN 0.648 nan 8.150 nan 0.000 0.401 411 F N 0.704 120.342 119.950 -0.520 0.000 2.274 411 F HA 0.315 4.842 4.527 -0.002 0.000 0.288 411 F C 0.414 175.994 175.800 -0.366 0.000 1.069 411 F CA 0.976 58.482 58.000 -0.824 0.000 1.343 411 F CB 0.502 38.874 39.000 -1.047 0.000 1.089 411 F HN 0.483 nan 8.300 nan 0.000 0.517 412 E N 0.734 120.813 120.200 -0.202 0.000 2.283 412 E HA 0.469 4.818 4.350 -0.002 0.000 0.258 412 E C 0.103 176.519 176.600 -0.306 0.000 0.893 412 E CA 0.315 56.552 56.400 -0.271 0.000 0.798 412 E CB 1.037 30.501 29.700 -0.394 0.000 1.242 412 E HN 0.484 nan 8.360 nan 0.000 0.414 413 G N 2.182 110.547 108.800 -0.725 0.000 2.443 413 G HA2 -0.174 3.786 3.960 -0.002 0.000 0.209 413 G HA3 -0.174 3.786 3.960 -0.002 0.000 0.209 413 G C 0.433 174.969 174.900 -0.606 0.000 1.176 413 G CA -0.196 44.161 45.100 -1.238 0.000 1.074 413 G HN 0.570 nan 8.290 nan 0.000 0.577 414 G N -0.220 108.626 108.800 0.076 0.000 3.228 414 G HA2 0.660 4.619 3.960 -0.002 0.000 0.245 414 G HA3 0.660 4.619 3.960 -0.002 0.000 0.245 414 G C 0.411 175.479 174.900 0.280 0.000 1.051 414 G CA 1.671 46.969 45.100 0.329 0.000 0.809 414 G HN 1.998 nan 8.290 nan 0.000 0.531 415 S N -0.522 115.291 115.700 0.189 0.000 2.579 415 S HA 0.812 5.281 4.470 -0.002 0.000 0.272 415 S C -0.634 174.069 174.600 0.171 0.000 1.141 415 S CA -0.077 58.164 58.200 0.069 0.000 0.843 415 S CB 2.061 65.202 63.200 -0.098 0.000 1.122 415 S HN 0.750 nan 8.310 nan 0.000 0.468 416 S N 0.443 116.235 115.700 0.153 0.000 2.697 416 S HA 0.780 5.249 4.470 -0.002 0.000 0.289 416 S C -1.268 173.407 174.600 0.126 0.000 1.149 416 S CA -0.934 57.423 58.200 0.261 0.000 0.850 416 S CB 1.090 64.525 63.200 0.392 0.000 1.151 416 S HN 1.210 nan 8.310 nan 0.000 0.491 417 L N 1.656 122.785 121.223 -0.156 0.000 2.265 417 L HA 0.510 4.850 4.340 -0.002 0.000 0.288 417 L C -0.080 176.628 176.870 -0.271 0.000 1.058 417 L CA 0.023 54.605 54.840 -0.430 0.000 0.809 417 L CB 0.964 42.466 42.059 -0.928 0.000 1.179 417 L HN 0.878 nan 8.230 nan 0.000 0.429 418 Q N 4.236 123.861 119.800 -0.291 0.000 2.290 418 Q HA 0.262 4.601 4.340 -0.002 0.000 0.259 418 Q C -1.958 173.949 176.000 -0.154 0.000 0.941 418 Q CA -0.631 54.998 55.803 -0.290 0.000 0.912 418 Q CB 1.093 29.644 28.738 -0.311 0.000 1.244 418 Q HN 0.752 nan 8.270 nan 0.000 0.441 419 W N 6.013 127.146 121.300 -0.280 0.000 2.543 419 W HA 0.315 4.974 4.660 -0.001 0.000 0.318 419 W C -1.658 174.864 176.519 0.005 0.000 1.002 419 W CA -0.463 56.797 57.345 -0.143 0.000 1.302 419 W CB 0.333 29.706 29.460 -0.146 0.000 1.299 419 W HN 0.790 nan 8.180 nan 0.000 0.424 420 H N 3.201 122.148 119.070 -0.206 0.000 3.012 420 H HA 0.898 5.453 4.556 -0.002 0.000 0.367 420 H C 0.135 175.320 175.328 -0.239 0.000 1.211 420 H CA -0.511 55.376 56.048 -0.268 0.000 1.139 420 H CB 1.882 31.503 29.762 -0.234 0.000 1.838 420 H HN 0.685 nan 8.280 nan 0.000 0.550 421 G N 0.318 108.917 108.800 -0.335 0.000 2.292 421 G HA2 0.171 4.130 3.960 -0.002 0.000 0.194 421 G HA3 0.171 4.130 3.960 -0.002 0.000 0.194 421 G C -1.404 173.334 174.900 -0.270 0.000 1.329 421 G CA -0.363 44.535 45.100 -0.338 0.000 1.100 421 G HN 0.727 nan 8.290 nan 0.000 0.470 422 S N -0.234 115.320 115.700 -0.244 0.000 2.489 422 S HA 0.737 5.206 4.470 -0.002 0.000 0.291 422 S C -1.011 173.455 174.600 -0.223 0.000 1.151 422 S CA -0.274 57.796 58.200 -0.217 0.000 1.082 422 S CB 1.480 64.582 63.200 -0.163 0.000 1.019 422 S HN 1.056 nan 8.310 nan 0.000 0.492 423 L N 3.385 124.474 121.223 -0.223 0.000 2.555 423 L HA 0.636 4.975 4.340 -0.002 0.000 0.264 423 L C 0.137 176.903 176.870 -0.172 0.000 0.972 423 L CA -0.142 54.577 54.840 -0.202 0.000 0.876 423 L CB 0.792 42.709 42.059 -0.237 0.000 1.216 423 L HN 0.761 nan 8.230 nan 0.000 0.415 429 A N 2.725 125.575 122.820 0.049 0.000 2.449 429 A HA 0.705 5.024 4.320 -0.002 0.000 0.302 429 A C -0.975 176.710 177.584 0.169 0.000 1.048 429 A CA -0.690 51.398 52.037 0.086 0.000 0.708 429 A CB 2.229 21.226 19.000 -0.004 0.000 1.274 429 A HN 0.494 nan 8.150 nan 0.000 0.410 430 Q N 0.041 119.914 119.800 0.122 0.000 2.413 430 Q HA 0.753 5.092 4.340 -0.002 0.000 0.276 430 Q C -1.140 174.743 176.000 -0.195 0.000 1.099 430 Q CA -0.287 55.451 55.803 -0.108 0.000 0.814 430 Q CB 3.018 31.548 28.738 -0.347 0.000 1.379 430 Q HN 0.739 nan 8.270 nan 0.000 0.436 431 I N 0.540 120.830 120.570 -0.468 0.000 2.500 431 I HA 0.340 4.509 4.170 -0.002 0.000 0.286 431 I C -1.247 174.608 176.117 -0.437 0.000 1.063 431 I CA -0.456 60.499 61.300 -0.575 0.000 1.062 431 I CB 1.311 38.663 38.000 -1.079 0.000 1.223 431 I HN 0.614 nan 8.210 nan 0.000 0.435 432 E N 7.150 127.116 120.200 -0.389 0.000 2.167 432 E HA 0.292 4.641 4.350 -0.002 0.000 0.284 432 E C 0.062 176.734 176.600 0.120 0.000 1.016 432 E CA -0.260 55.950 56.400 -0.315 0.000 0.817 432 E CB 2.045 31.410 29.700 -0.558 0.000 1.080 432 E HN 0.669 nan 8.360 nan 0.000 0.397 433 L N 2.210 123.525 121.223 0.153 0.000 2.515 433 L HA 0.211 4.550 4.340 -0.002 0.000 0.202 433 L C -0.130 176.521 176.870 -0.365 0.000 1.056 433 L CA 0.260 55.095 54.840 -0.009 0.000 0.847 433 L CB 0.447 42.479 42.059 -0.045 0.000 1.131 433 L HN 0.513 nan 8.230 nan 0.000 0.484 434 Y N -0.106 120.136 120.300 -0.096 0.000 2.391 434 Y HA 0.424 4.973 4.550 -0.002 0.000 0.341 434 Y C -0.145 175.473 175.900 -0.469 0.000 0.965 434 Y CA -0.930 56.905 58.100 -0.441 0.000 1.067 434 Y CB 1.748 40.038 38.460 -0.283 0.000 1.199 434 Y HN -0.077 nan 8.280 nan 0.000 0.450 435 Q N 2.533 121.923 119.800 -0.683 0.000 2.286 435 Q HA 0.501 4.840 4.340 -0.002 0.000 0.257 435 Q C -0.430 175.442 176.000 -0.213 0.000 0.941 435 Q CA -0.149 55.498 55.803 -0.260 0.000 0.912 435 Q CB 0.885 29.467 28.738 -0.260 0.000 1.192 435 Q HN 0.770 nan 8.270 nan 0.000 0.410 436 T N 0.224 114.689 114.554 -0.148 0.000 2.865 436 T HA 0.599 4.948 4.350 -0.002 0.000 0.294 436 T C -0.892 173.716 174.700 -0.153 0.000 1.119 436 T CA -0.998 60.964 62.100 -0.229 0.000 1.007 436 T CB 1.504 70.197 68.868 -0.292 0.000 1.225 436 T HN 0.590 nan 8.240 nan 0.000 0.515 437 E N 0.955 121.059 120.200 -0.161 0.000 2.923 437 E HA 0.432 4.781 4.350 -0.002 0.000 0.266 437 E C -1.551 174.990 176.600 -0.099 0.000 1.157 437 E CA -0.450 55.887 56.400 -0.105 0.000 0.795 437 E CB 0.394 30.049 29.700 -0.075 0.000 1.454 437 E HN 0.591 nan 8.360 nan 0.000 0.386 438 L N 4.544 125.709 121.223 -0.097 0.000 2.318 438 L HA 0.492 4.831 4.340 -0.002 0.000 0.277 438 L C -2.374 174.465 176.870 -0.052 0.000 1.008 438 L CA -2.222 52.573 54.840 -0.076 0.000 0.846 438 L CB 1.358 43.363 42.059 -0.090 0.000 1.220 438 L HN 0.258 nan 8.230 nan 0.000 0.423 439 P HA 0.171 nan 4.420 nan 0.000 0.271 439 P C -0.415 176.878 177.300 -0.012 0.000 1.226 439 P CA 0.163 63.253 63.100 -0.017 0.000 0.765 439 P CB 0.525 32.219 31.700 -0.009 0.000 0.835 440 I N 2.441 123.009 120.570 -0.003 0.000 2.365 440 I HA 0.282 4.451 4.170 -0.002 0.000 0.291 440 I C 0.839 176.968 176.117 0.020 0.000 1.004 440 I CA 0.040 61.344 61.300 0.007 0.000 1.311 440 I CB 0.918 38.932 38.000 0.024 0.000 1.401 440 I HN 0.369 nan 8.210 nan 0.000 0.491 441 S N 3.483 119.194 115.700 0.017 0.000 2.632 441 S HA 0.483 4.952 4.470 -0.002 0.000 0.289 441 S C -0.705 173.907 174.600 0.020 0.000 1.115 441 S CA -1.128 57.082 58.200 0.018 0.000 0.889 441 S CB 1.477 64.685 63.200 0.013 0.000 1.116 441 S HN 0.559 nan 8.310 nan 0.000 0.486 442 E N 0.036 120.246 120.200 0.017 0.000 2.452 442 E HA 0.396 4.746 4.350 -0.002 0.000 0.261 442 E C 1.150 177.760 176.600 0.016 0.000 0.987 442 E CA 1.045 57.455 56.400 0.016 0.000 0.926 442 E CB 0.162 29.868 29.700 0.010 0.000 0.934 442 E HN 1.136 nan 8.360 nan 0.000 0.452 443 G N 2.902 111.714 108.800 0.019 0.000 2.213 443 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.236 443 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.236 443 G C 0.395 175.308 174.900 0.022 0.000 0.991 443 G CA 0.082 45.194 45.100 0.020 0.000 0.629 443 G HN 0.526 nan 8.290 nan 0.000 0.517 444 T N 1.923 116.489 114.554 0.021 0.000 2.832 444 T HA 0.594 4.943 4.350 -0.002 0.000 0.296 444 T C 0.133 174.845 174.700 0.019 0.000 0.968 444 T CA 0.719 62.828 62.100 0.016 0.000 1.107 444 T CB 1.548 70.419 68.868 0.005 0.000 0.916 444 T HN 0.374 nan 8.240 nan 0.000 0.517 445 S N 2.268 117.983 115.700 0.026 0.000 2.570 445 S HA 0.554 5.023 4.470 -0.002 0.000 0.286 445 S C -0.703 173.931 174.600 0.056 0.000 1.099 445 S CA -0.804 57.423 58.200 0.045 0.000 0.913 445 S CB 1.378 64.618 63.200 0.067 0.000 1.085 445 S HN 0.532 nan 8.310 nan 0.000 0.480 446 L N 2.822 124.101 121.223 0.094 0.000 2.292 446 L HA 0.565 4.904 4.340 -0.002 0.000 0.284 446 L C 0.072 177.162 176.870 0.366 0.000 1.065 446 L CA -0.065 54.888 54.840 0.188 0.000 0.806 446 L CB 1.254 43.401 42.059 0.148 0.000 1.175 446 L HN 0.851 nan 8.230 nan 0.000 0.431 447 T N -0.243 114.532 114.554 0.368 0.000 2.893 447 T HA 0.713 5.062 4.350 -0.002 0.000 0.293 447 T C -1.133 173.902 174.700 0.558 0.000 1.027 447 T CA -0.729 61.579 62.100 0.346 0.000 0.988 447 T CB 1.481 70.427 68.868 0.130 0.000 1.043 447 T HN 0.640 nan 8.240 nan 0.000 0.461 448 W N 0.086 121.537 121.300 0.252 0.000 3.213 448 W HA 0.703 5.362 4.660 -0.002 0.000 0.318 448 W C -1.837 174.850 176.519 0.280 0.000 1.248 448 W CA -1.114 56.418 57.345 0.312 0.000 1.187 448 W CB 0.919 30.701 29.460 0.538 0.000 1.403 448 W HN 0.701 nan 8.180 nan 0.000 0.556 449 T N 3.682 118.420 114.554 0.308 0.000 2.879 449 T HA 0.663 5.012 4.350 -0.002 0.000 0.290 449 T C -1.249 173.689 174.700 0.396 0.000 0.993 449 T CA -0.484 61.652 62.100 0.059 0.000 0.975 449 T CB 0.890 69.428 68.868 -0.549 0.000 0.981 449 T HN 0.615 nan 8.240 nan 0.000 0.439 450 F N -0.138 119.983 119.950 0.285 0.000 2.662 450 F HA 0.829 5.355 4.527 -0.002 0.000 0.312 450 F C -1.177 174.702 175.800 0.132 0.000 1.113 450 F CA -1.391 56.817 58.000 0.346 0.000 0.951 450 F CB 1.539 40.674 39.000 0.225 0.000 1.344 450 F HN 0.218 nan 8.300 nan 0.000 0.462 451 K N 0.959 121.303 120.400 -0.094 0.000 2.259 451 K HA 0.640 4.959 4.320 -0.002 0.000 0.249 451 K C -1.353 175.338 176.600 0.151 0.000 0.942 451 K CA -1.035 55.051 56.287 -0.334 0.000 0.816 451 K CB 2.046 34.105 32.500 -0.736 0.000 1.155 451 K HN 0.752 nan 8.250 nan 0.000 0.428 452 S N 1.726 117.457 115.700 0.052 0.000 2.647 452 S HA 0.161 4.630 4.470 -0.002 0.000 0.300 452 S C 0.201 174.698 174.600 -0.171 0.000 1.129 452 S CA -0.614 57.585 58.200 -0.003 0.000 1.029 452 S CB 0.950 64.291 63.200 0.235 0.000 1.007 452 S HN 0.551 nan 8.310 nan 0.000 0.484 453 E N 2.634 122.654 120.200 -0.300 0.000 2.358 453 E HA 0.016 4.365 4.350 -0.002 0.000 0.195 453 E C 0.305 176.542 176.600 -0.604 0.000 1.010 453 E CA 0.812 56.952 56.400 -0.432 0.000 0.856 453 E CB -0.011 29.390 29.700 -0.498 0.000 0.795 453 E HN 0.705 nan 8.360 nan 0.000 0.504 454 H N 0.190 119.143 119.070 -0.194 0.000 2.567 454 H HA 0.139 4.694 4.556 -0.001 0.000 0.267 454 H C -0.313 174.950 175.328 -0.107 0.000 1.148 454 H CA -0.161 55.795 56.048 -0.154 0.000 1.031 454 H CB 0.778 30.426 29.762 -0.189 0.000 1.691 454 H HN -0.022 nan 8.280 nan 0.000 0.588 455 D N 0.153 120.541 120.400 -0.020 0.000 2.978 455 D HA -0.183 4.456 4.640 -0.002 0.000 0.205 455 D C -0.113 176.255 176.300 0.113 0.000 1.093 455 D CA 0.810 54.835 54.000 0.042 0.000 1.006 455 D CB -1.580 39.242 40.800 0.036 0.000 1.116 455 D HN 0.450 nan 8.370 nan 0.000 0.419 456 N N 1.627 120.386 118.700 0.099 0.000 2.412 456 N HA 0.208 4.948 4.740 -0.002 0.000 0.254 456 N C -0.023 175.745 175.510 0.430 0.000 1.232 456 N CA 0.262 53.435 53.050 0.205 0.000 0.880 456 N CB 0.500 39.098 38.487 0.185 0.000 1.076 456 N HN 0.139 nan 8.380 nan 0.000 0.458 457 D N 0.391 121.021 120.400 0.383 0.000 2.344 457 D HA 0.314 4.953 4.640 -0.002 0.000 0.244 457 D C -1.085 175.322 176.300 0.179 0.000 1.134 457 D CA -0.379 53.890 54.000 0.448 0.000 0.930 457 D CB 0.626 41.666 40.800 0.401 0.000 1.175 457 D HN 0.260 nan 8.370 nan 0.000 0.437 458 L N 3.248 124.362 121.223 -0.182 0.000 2.316 458 L HA 0.415 4.754 4.340 -0.002 0.000 0.280 458 L C -1.037 175.780 176.870 -0.089 0.000 1.006 458 L CA -0.630 53.874 54.840 -0.560 0.000 0.836 458 L CB 0.930 42.135 42.059 -1.423 0.000 1.221 458 L HN 0.268 nan 8.230 nan 0.000 0.418 459 N N 3.231 121.890 118.700 -0.069 0.000 2.513 459 N HA 0.316 5.055 4.740 -0.002 0.000 0.274 459 N C -0.675 174.752 175.510 -0.138 0.000 1.189 459 N CA -0.387 52.654 53.050 -0.015 0.000 0.975 459 N CB 2.127 40.625 38.487 0.019 0.000 1.157 459 N HN 0.404 nan 8.380 nan 0.000 0.465 460 V N -0.160 119.491 119.914 -0.438 0.000 2.716 460 V HA 0.759 4.878 4.120 -0.002 0.000 0.304 460 V C 0.329 176.319 176.094 -0.173 0.000 1.053 460 V CA -0.377 61.555 62.300 -0.612 0.000 0.984 460 V CB 1.373 32.391 31.823 -1.341 0.000 1.021 460 V HN 0.732 nan 8.190 nan 0.000 0.467 461 G N 4.849 113.532 108.800 -0.195 0.000 2.513 461 G HA2 0.737 4.696 3.960 -0.002 0.000 0.317 461 G HA3 0.737 4.696 3.960 -0.002 0.000 0.317 461 G C -1.344 173.489 174.900 -0.112 0.000 1.277 461 G CA -0.557 44.332 45.100 -0.351 0.000 0.955 461 G HN 0.905 nan 8.290 nan 0.000 0.484 462 F N 0.065 119.851 119.950 -0.273 0.000 2.578 462 F HA 0.799 5.325 4.527 -0.001 0.000 0.311 462 F C -0.537 175.013 175.800 -0.417 0.000 1.094 462 F CA -1.581 56.268 58.000 -0.251 0.000 0.923 462 F CB 1.996 40.821 39.000 -0.292 0.000 1.230 462 F HN 0.526 nan 8.300 nan 0.000 0.450 463 R N 3.702 123.921 120.500 -0.470 0.000 2.514 463 R HA 0.748 5.087 4.340 -0.002 0.000 0.301 463 R C -1.700 174.391 176.300 -0.349 0.000 0.962 463 R CA -0.703 54.969 56.100 -0.713 0.000 0.882 463 R CB 1.485 30.991 30.300 -1.322 0.000 1.143 463 R HN 0.958 nan 8.270 nan 0.000 0.452 464 L N 2.324 123.375 121.223 -0.286 0.000 2.331 464 L HA 0.318 4.657 4.340 -0.002 0.000 0.275 464 L C -0.077 176.710 176.870 -0.138 0.000 1.022 464 L CA -1.042 53.705 54.840 -0.155 0.000 0.812 464 L CB 1.547 43.549 42.059 -0.094 0.000 1.257 464 L HN 0.601 nan 8.230 nan 0.000 0.435 465 D N 1.262 121.607 120.400 -0.091 0.000 2.455 465 D HA 0.280 4.919 4.640 -0.002 0.000 0.241 465 D C 1.003 177.271 176.300 -0.054 0.000 1.138 465 D CA 1.527 55.485 54.000 -0.071 0.000 0.877 465 D CB 1.146 41.918 40.800 -0.047 0.000 1.187 465 D HN 0.738 nan 8.370 nan 0.000 0.451 466 G N 2.996 111.764 108.800 -0.055 0.000 2.175 466 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.244 466 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.244 466 G C 0.092 174.959 174.900 -0.054 0.000 0.982 466 G CA 0.209 45.283 45.100 -0.043 0.000 0.641 466 G HN 0.549 nan 8.290 nan 0.000 0.527 467 E N -0.609 119.541 120.200 -0.085 0.000 2.266 467 E HA 0.523 4.872 4.350 -0.002 0.000 0.268 467 E C 0.123 176.644 176.600 -0.133 0.000 0.879 467 E CA -0.684 55.655 56.400 -0.102 0.000 0.762 467 E CB 1.626 31.252 29.700 -0.122 0.000 1.199 467 E HN 0.305 nan 8.360 nan 0.000 0.422 468 E N 0.692 120.827 120.200 -0.108 0.000 2.481 468 E HA 0.050 4.399 4.350 -0.002 0.000 0.198 468 E C -0.645 175.896 176.600 -0.097 0.000 1.027 468 E CA 0.169 56.508 56.400 -0.101 0.000 0.900 468 E CB 0.489 30.154 29.700 -0.059 0.000 0.993 468 E HN 0.325 nan 8.360 nan 0.000 0.482 469 D N -0.215 120.115 120.400 -0.117 0.000 2.252 469 D HA 0.240 4.880 4.640 -0.002 0.000 0.245 469 D C -0.564 175.622 176.300 -0.190 0.000 1.009 469 D CA -0.488 53.476 54.000 -0.060 0.000 0.870 469 D CB 0.999 41.777 40.800 -0.035 0.000 1.251 469 D HN -0.161 nan 8.370 nan 0.000 0.460 470 F N 0.834 120.630 119.950 -0.258 0.000 2.429 470 F HA 0.266 4.793 4.527 -0.001 0.000 0.348 470 F C 1.396 176.778 175.800 -0.696 0.000 1.109 470 F CA -0.168 57.512 58.000 -0.533 0.000 1.232 470 F CB 0.715 39.286 39.000 -0.715 0.000 1.157 470 F HN -0.115 nan 8.300 nan 0.000 0.564 471 R N 3.073 123.111 120.500 -0.769 0.000 2.198 471 R HA 0.290 4.629 4.340 -0.002 0.000 0.339 471 R C -1.620 174.161 176.300 -0.863 0.000 1.020 471 R CA -0.546 55.072 56.100 -0.803 0.000 0.864 471 R CB 0.477 30.126 30.300 -1.086 0.000 1.105 471 R HN 0.490 nan 8.270 nan 0.000 0.463 472 Y N 2.467 122.613 120.300 -0.256 0.000 2.328 472 Y HA 0.381 4.930 4.550 -0.001 0.000 0.337 472 Y C 0.429 176.267 175.900 -0.103 0.000 1.008 472 Y CA -0.769 57.231 58.100 -0.167 0.000 1.129 472 Y CB 1.564 39.958 38.460 -0.110 0.000 1.185 472 Y HN 0.264 nan 8.280 nan 0.000 0.476 473 V N -0.406 119.558 119.914 0.083 0.000 3.049 473 V HA 0.573 4.692 4.120 -0.002 0.000 0.309 473 V C -0.568 175.570 176.094 0.075 0.000 1.148 473 V CA -1.375 60.983 62.300 0.098 0.000 0.990 473 V CB 2.067 33.995 31.823 0.175 0.000 1.039 473 V HN 0.656 nan 8.190 nan 0.000 0.430 474 E N 1.517 121.734 120.200 0.027 0.000 2.373 474 E HA 0.452 4.801 4.350 -0.002 0.000 0.263 474 E C 0.511 177.046 176.600 -0.107 0.000 1.073 474 E CA 0.109 56.442 56.400 -0.111 0.000 0.894 474 E CB 1.605 31.200 29.700 -0.174 0.000 1.008 474 E HN 1.098 nan 8.360 nan 0.000 0.420 475 G N 1.179 109.727 108.800 -0.421 0.000 2.606 475 G HA2 -0.043 3.916 3.960 -0.002 0.000 0.252 475 G HA3 -0.043 3.916 3.960 -0.002 0.000 0.252 475 G C 0.351 175.186 174.900 -0.107 0.000 1.206 475 G CA -0.159 44.830 45.100 -0.185 0.000 0.861 475 G HN 0.562 nan 8.290 nan 0.000 0.561 476 E N -0.567 119.765 120.200 0.220 0.000 2.079 476 E HA 0.024 4.373 4.350 -0.002 0.000 0.191 476 E C 0.561 177.390 176.600 0.381 0.000 0.961 476 E CA 0.407 56.955 56.400 0.248 0.000 0.823 476 E CB 0.249 30.058 29.700 0.182 0.000 0.789 476 E HN 0.365 nan 8.360 nan 0.000 0.459 477 Q N 0.989 121.009 119.800 0.366 0.000 2.322 477 Q HA 0.264 4.603 4.340 -0.002 0.000 0.265 477 Q C -1.206 174.848 176.000 0.091 0.000 0.985 477 Q CA -0.316 55.617 55.803 0.217 0.000 0.849 477 Q CB 1.436 30.236 28.738 0.103 0.000 1.274 477 Q HN -0.081 nan 8.270 nan 0.000 0.449 478 R N 2.613 122.994 120.500 -0.198 0.000 2.393 478 R HA 0.457 4.796 4.340 -0.002 0.000 0.310 478 R C -1.024 175.040 176.300 -0.393 0.000 0.968 478 R CA -0.264 55.423 56.100 -0.687 0.000 0.867 478 R CB 1.190 30.820 30.300 -1.116 0.000 1.124 478 R HN 0.749 nan 8.270 nan 0.000 0.450 479 E N 1.806 121.771 120.200 -0.391 0.000 2.266 479 E HA 0.283 4.632 4.350 -0.002 0.000 0.268 479 E C -1.412 175.043 176.600 -0.242 0.000 0.879 479 E CA -0.619 55.637 56.400 -0.239 0.000 0.762 479 E CB 2.112 31.723 29.700 -0.147 0.000 1.199 479 E HN 0.484 nan 8.360 nan 0.000 0.422 480 S N 3.561 119.166 115.700 -0.160 0.000 2.422 480 S HA 0.466 4.935 4.470 -0.002 0.000 0.308 480 S C -0.348 174.237 174.600 -0.025 0.000 1.097 480 S CA -0.491 57.639 58.200 -0.116 0.000 1.099 480 S CB 0.235 63.370 63.200 -0.109 0.000 0.976 480 S HN 0.353 nan 8.310 nan 0.000 0.471 481 I N 3.276 123.876 120.570 0.051 0.000 2.437 481 I HA 0.295 4.464 4.170 -0.002 0.000 0.279 481 I C -0.202 176.078 176.117 0.272 0.000 1.028 481 I CA -0.696 60.700 61.300 0.159 0.000 1.142 481 I CB 0.868 39.020 38.000 0.253 0.000 1.266 481 I HN 0.675 nan 8.210 nan 0.000 0.461 482 N N 4.510 123.314 118.700 0.174 0.000 2.716 482 N HA -0.236 4.503 4.740 -0.002 0.000 0.250 482 N C 0.982 176.639 175.510 0.245 0.000 1.033 482 N CA 0.794 53.957 53.050 0.188 0.000 0.727 482 N CB -0.736 37.854 38.487 0.172 0.000 0.950 482 N HN 1.147 nan 8.380 nan 0.000 0.541 483 G N -3.072 105.803 108.800 0.125 0.000 2.195 483 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.246 483 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.246 483 G C -0.148 174.682 174.900 -0.117 0.000 0.984 483 G CA 0.110 45.203 45.100 -0.013 0.000 0.633 483 G HN 0.372 nan 8.290 nan 0.000 0.525 484 W N 0.797 122.052 121.300 -0.075 0.000 2.449 484 W HA 0.685 5.344 4.660 -0.001 0.000 0.331 484 W C 0.372 176.684 176.519 -0.346 0.000 1.119 484 W CA -0.326 56.905 57.345 -0.190 0.000 1.240 484 W CB 1.348 30.743 29.460 -0.109 0.000 1.251 484 W HN 0.014 nan 8.180 nan 0.000 0.576 485 T N 2.768 117.085 114.554 -0.393 0.000 2.767 485 T HA 0.267 4.616 4.350 -0.002 0.000 0.284 485 T C -0.808 173.569 174.700 -0.539 0.000 0.973 485 T CA -0.607 61.135 62.100 -0.597 0.000 0.996 485 T CB 0.994 69.300 68.868 -0.937 0.000 0.927 485 T HN 0.325 nan 8.240 nan 0.000 0.456 486 Q N 2.883 122.400 119.800 -0.471 0.000 2.341 486 Q HA 0.340 4.679 4.340 -0.002 0.000 0.268 486 Q C -1.453 174.250 176.000 -0.495 0.000 1.013 486 Q CA -0.721 54.845 55.803 -0.395 0.000 0.798 486 Q CB 1.046 29.626 28.738 -0.263 0.000 1.253 486 Q HN 0.665 nan 8.270 nan 0.000 0.457 487 W N 2.082 123.026 121.300 -0.593 0.000 2.381 487 W HA 0.412 5.071 4.660 -0.002 0.000 0.329 487 W C -0.134 176.008 176.519 -0.629 0.000 1.157 487 W CA -0.434 56.467 57.345 -0.740 0.000 1.240 487 W CB 1.987 30.606 29.460 -1.403 0.000 1.199 487 W HN 0.381 nan 8.180 nan 0.000 0.579 488 T N 3.803 118.364 114.554 0.012 0.000 2.841 488 T HA 0.505 4.854 4.350 -0.002 0.000 0.283 488 T C -1.543 173.268 174.700 0.186 0.000 1.000 488 T CA -0.643 61.503 62.100 0.076 0.000 0.977 488 T CB 1.212 70.122 68.868 0.070 0.000 0.979 488 T HN 0.223 nan 8.240 nan 0.000 0.446 489 L N 5.527 126.901 121.223 0.251 0.000 2.427 489 L HA 0.488 4.827 4.340 -0.002 0.000 0.264 489 L C -2.773 174.190 176.870 0.155 0.000 0.989 489 L CA -2.010 52.982 54.840 0.254 0.000 0.865 489 L CB 1.337 43.627 42.059 0.386 0.000 1.209 489 L HN 0.299 nan 8.230 nan 0.000 0.430 490 P HA 0.114 nan 4.420 nan 0.000 0.265 490 P C -0.036 177.318 177.300 0.089 0.000 1.193 490 P CA 0.357 63.509 63.100 0.087 0.000 0.765 490 P CB 0.550 32.297 31.700 0.079 0.000 0.823 491 L N 1.964 123.227 121.223 0.066 0.000 3.014 491 L HA 0.163 4.502 4.340 -0.002 0.000 0.263 491 L C 0.810 177.758 176.870 0.130 0.000 1.207 491 L CA 0.127 55.032 54.840 0.109 0.000 1.017 491 L CB -0.172 41.872 42.059 -0.025 0.000 1.360 491 L HN 0.213 nan 8.230 nan 0.000 0.560 492 D N 1.489 121.927 120.400 0.063 0.000 2.221 492 D HA -0.200 4.439 4.640 -0.002 0.000 0.204 492 D C 2.265 178.551 176.300 -0.024 0.000 0.982 492 D CA 1.347 55.361 54.000 0.024 0.000 0.857 492 D CB 0.159 40.965 40.800 0.010 0.000 0.934 492 D HN 0.374 nan 8.370 nan 0.000 0.475 493 A N -0.243 122.517 122.820 -0.101 0.000 2.019 493 A HA -0.083 4.236 4.320 -0.002 0.000 0.219 493 A C 1.204 178.529 177.584 -0.432 0.000 1.164 493 A CA 0.789 52.633 52.037 -0.322 0.000 0.644 493 A CB -0.532 18.157 19.000 -0.519 0.000 0.805 493 A HN 0.255 nan 8.150 nan 0.000 0.449 494 F N -0.130 119.819 119.950 -0.002 0.000 2.647 494 F HA 0.482 5.008 4.527 -0.002 0.000 0.300 494 F C 1.216 177.008 175.800 -0.014 0.000 1.106 494 F CA -0.326 57.674 58.000 -0.000 0.000 1.313 494 F CB -0.107 38.894 39.000 0.001 0.000 1.007 494 F HN 0.156 nan 8.300 nan 0.000 0.536 495 A N 0.513 123.388 122.820 0.092 0.000 2.546 495 A HA 0.407 4.726 4.320 -0.002 0.000 0.243 495 A C 1.515 179.127 177.584 0.048 0.000 1.063 495 A CA 0.945 53.015 52.037 0.056 0.000 0.757 495 A CB -0.612 18.403 19.000 0.024 0.000 0.991 495 A HN 0.997 nan 8.150 nan 0.000 0.503 496 G N 1.090 109.916 108.800 0.042 0.000 2.194 496 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.236 496 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.236 496 G C 0.222 175.147 174.900 0.042 0.000 0.987 496 G CA 0.356 45.476 45.100 0.033 0.000 0.635 496 G HN 0.858 nan 8.290 nan 0.000 0.520 497 Q N 0.206 120.046 119.800 0.066 0.000 2.180 497 Q HA 0.657 4.996 4.340 -0.002 0.000 0.241 497 Q C -0.617 175.398 176.000 0.025 0.000 0.970 497 Q CA -0.014 55.828 55.803 0.065 0.000 0.919 497 Q CB 1.508 30.327 28.738 0.135 0.000 1.222 497 Q HN 0.206 nan 8.270 nan 0.000 0.482 498 T N 1.060 115.614 114.554 -0.000 0.000 2.840 498 T HA 0.483 4.833 4.350 -0.002 0.000 0.287 498 T C 0.211 174.877 174.700 -0.057 0.000 0.991 498 T CA -0.502 61.581 62.100 -0.030 0.000 0.964 498 T CB 0.607 69.457 68.868 -0.031 0.000 0.954 498 T HN 0.320 nan 8.240 nan 0.000 0.438 499 I N 3.405 123.929 120.570 -0.077 0.000 2.471 499 I HA 0.151 4.320 4.170 -0.002 0.000 0.286 499 I C 1.625 177.678 176.117 -0.107 0.000 1.079 499 I CA 0.033 61.275 61.300 -0.096 0.000 1.398 499 I CB 1.173 39.109 38.000 -0.107 0.000 1.403 499 I HN 0.818 nan 8.210 nan 0.000 0.530 500 T N 0.814 115.290 114.554 -0.129 0.000 3.003 500 T HA 0.359 4.708 4.350 -0.002 0.000 0.261 500 T C 0.426 175.072 174.700 -0.089 0.000 1.003 500 T CA -0.183 61.848 62.100 -0.114 0.000 0.917 500 T CB 0.515 69.315 68.868 -0.112 0.000 1.084 500 T HN 0.709 nan 8.240 nan 0.000 0.522 501 G N 0.705 109.430 108.800 -0.123 0.000 2.742 501 G HA2 0.632 4.591 3.960 -0.002 0.000 0.296 501 G HA3 0.632 4.591 3.960 -0.002 0.000 0.296 501 G C -1.979 173.048 174.900 0.212 0.000 1.436 501 G CA -0.876 44.267 45.100 0.070 0.000 0.928 501 G HN 0.321 nan 8.290 nan 0.000 0.520 502 L N 0.535 121.989 121.223 0.384 0.000 2.381 502 L HA 0.908 5.247 4.340 -0.002 0.000 0.268 502 L C 0.200 177.148 176.870 0.130 0.000 0.997 502 L CA -0.865 54.107 54.840 0.219 0.000 0.818 502 L CB 2.224 44.332 42.059 0.083 0.000 1.310 502 L HN 0.890 nan 8.230 nan 0.000 0.416 503 A N 1.660 124.372 122.820 -0.180 0.000 2.599 503 A HA 0.878 5.197 4.320 -0.002 0.000 0.290 503 A C -1.901 175.327 177.584 -0.592 0.000 1.101 503 A CA -0.406 51.407 52.037 -0.373 0.000 0.674 503 A CB 1.437 20.161 19.000 -0.461 0.000 1.277 503 A HN 0.401 nan 8.150 nan 0.000 0.419 504 F N -0.578 119.250 119.950 -0.204 0.000 2.598 504 F HA 0.877 5.403 4.527 -0.002 0.000 0.327 504 F C 0.619 176.275 175.800 -0.240 0.000 1.057 504 F CA -0.012 57.824 58.000 -0.273 0.000 0.957 504 F CB 2.400 41.142 39.000 -0.431 0.000 1.278 504 F HN 0.972 nan 8.300 nan 0.000 0.484 505 A N 0.476 123.317 122.820 0.036 0.000 2.587 505 A HA 0.985 5.304 4.320 -0.002 0.000 0.293 505 A C -1.688 175.897 177.584 0.002 0.000 1.087 505 A CA -0.305 51.692 52.037 -0.066 0.000 0.692 505 A CB 1.571 20.286 19.000 -0.474 0.000 1.291 505 A HN 1.322 nan 8.150 nan 0.000 0.407 506 A N 0.174 123.007 122.820 0.021 0.000 2.593 506 A HA 0.852 5.171 4.320 -0.002 0.000 0.290 506 A C -1.047 176.520 177.584 -0.028 0.000 1.126 506 A CA -0.281 51.734 52.037 -0.037 0.000 0.695 506 A CB 1.457 20.379 19.000 -0.130 0.000 1.290 506 A HN 0.974 nan 8.150 nan 0.000 0.414 507 E N 0.392 120.560 120.200 -0.053 0.000 2.246 507 E HA 0.517 4.866 4.350 -0.002 0.000 0.266 507 E C 0.133 176.653 176.600 -0.134 0.000 0.880 507 E CA -0.601 55.683 56.400 -0.192 0.000 0.762 507 E CB 1.665 31.221 29.700 -0.239 0.000 1.180 507 E HN 1.102 nan 8.360 nan 0.000 0.416 508 G N 3.093 111.784 108.800 -0.182 0.000 2.491 508 G HA2 0.132 4.092 3.960 -0.002 0.000 0.238 508 G HA3 0.132 4.092 3.960 -0.002 0.000 0.238 508 G C -0.117 174.713 174.900 -0.117 0.000 1.277 508 G CA -0.255 44.756 45.100 -0.149 0.000 0.851 508 G HN 0.665 nan 8.290 nan 0.000 0.573 509 N N -0.403 118.238 118.700 -0.098 0.000 2.815 509 N HA 0.203 4.942 4.740 -0.002 0.000 0.315 509 N C 0.811 176.274 175.510 -0.079 0.000 1.320 509 N CA -0.879 52.130 53.050 -0.069 0.000 0.846 509 N CB 0.899 39.365 38.487 -0.035 0.000 1.344 509 N HN 0.470 nan 8.380 nan 0.000 0.593 510 E N -0.802 119.365 120.200 -0.056 0.000 2.187 510 E HA -0.213 4.136 4.350 -0.002 0.000 0.199 510 E C 0.917 177.474 176.600 -0.073 0.000 1.004 510 E CA 1.961 58.328 56.400 -0.055 0.000 0.813 510 E CB -0.407 29.272 29.700 -0.036 0.000 0.736 510 E HN 0.632 nan 8.360 nan 0.000 0.468 511 T N -0.730 113.774 114.554 -0.084 0.000 2.699 511 T HA -0.171 4.178 4.350 -0.002 0.000 0.268 511 T C 1.529 176.120 174.700 -0.181 0.000 1.036 511 T CA 1.520 63.544 62.100 -0.126 0.000 1.147 511 T CB -0.453 68.329 68.868 -0.143 0.000 0.862 511 T HN 0.566 nan 8.240 nan 0.000 0.446 512 G N -0.023 108.668 108.800 -0.182 0.000 2.179 512 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.260 512 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.260 512 G C -0.181 174.566 174.900 -0.255 0.000 0.977 512 G CA 0.034 45.022 45.100 -0.186 0.000 0.641 512 G HN 0.432 nan 8.290 nan 0.000 0.533 513 L N 0.154 121.150 121.223 -0.379 0.000 2.341 513 L HA 0.961 5.300 4.340 -0.002 0.000 0.267 513 L C 0.243 176.810 176.870 -0.505 0.000 1.009 513 L CA -0.880 53.651 54.840 -0.515 0.000 0.819 513 L CB 1.810 43.368 42.059 -0.834 0.000 1.323 513 L HN 0.799 nan 8.230 nan 0.000 0.425 514 A N 1.634 124.222 122.820 -0.387 0.000 2.422 514 A HA 0.774 5.093 4.320 -0.002 0.000 0.302 514 A C -0.919 176.480 177.584 -0.309 0.000 1.041 514 A CA -0.416 51.394 52.037 -0.379 0.000 0.708 514 A CB 1.498 20.261 19.000 -0.396 0.000 1.257 514 A HN 0.681 nan 8.150 nan 0.000 0.414 515 E N 2.272 122.226 120.200 -0.409 0.000 2.528 515 E HA 0.481 4.830 4.350 -0.002 0.000 0.277 515 E C -1.917 174.336 176.600 -0.578 0.000 0.980 515 E CA -0.162 56.026 56.400 -0.353 0.000 0.796 515 E CB 0.702 30.310 29.700 -0.153 0.000 1.427 515 E HN 0.506 nan 8.360 nan 0.000 0.394 516 F N 2.434 122.219 119.950 -0.275 0.000 2.450 516 F HA 0.461 4.987 4.527 -0.001 0.000 0.332 516 F C -0.494 175.034 175.800 -0.453 0.000 1.093 516 F CA -0.496 57.385 58.000 -0.198 0.000 1.003 516 F CB 1.032 40.001 39.000 -0.052 0.000 1.151 516 F HN 0.315 nan 8.300 nan 0.000 0.474 517 Y N 0.437 120.843 120.300 0.176 0.000 2.331 517 Y HA 0.419 4.968 4.550 -0.002 0.000 0.334 517 Y C 0.152 176.212 175.900 0.267 0.000 0.960 517 Y CA -0.952 57.216 58.100 0.113 0.000 1.130 517 Y CB 2.138 40.597 38.460 -0.003 0.000 1.164 517 Y HN 0.495 nan 8.280 nan 0.000 0.458 518 T N 1.446 116.166 114.554 0.276 0.000 2.770 518 T HA 0.521 4.870 4.350 -0.002 0.000 0.283 518 T C 0.721 175.616 174.700 0.324 0.000 0.988 518 T CA -0.218 62.038 62.100 0.259 0.000 0.957 518 T CB 0.676 69.450 68.868 -0.157 0.000 0.930 518 T HN 0.892 nan 8.240 nan 0.000 0.443 519 G N 3.281 112.370 108.800 0.482 0.000 3.192 519 G HA2 0.407 4.366 3.960 -0.002 0.000 0.239 519 G HA3 0.407 4.366 3.960 -0.002 0.000 0.239 519 G C 0.034 175.155 174.900 0.368 0.000 1.084 519 G CA -0.112 45.206 45.100 0.363 0.000 0.784 519 G HN 0.821 nan 8.290 nan 0.000 0.540 520 Q N -0.928 119.072 119.800 0.333 0.000 2.527 520 Q HA 0.691 5.030 4.340 -0.002 0.000 0.280 520 Q C -2.152 173.993 176.000 0.241 0.000 0.977 520 Q CA -0.926 54.925 55.803 0.080 0.000 0.837 520 Q CB 1.669 30.254 28.738 -0.255 0.000 1.454 520 Q HN 0.211 nan 8.270 nan 0.000 0.387 521 L N 1.025 122.235 121.223 -0.021 0.000 2.513 521 L HA 1.033 5.372 4.340 -0.002 0.000 0.261 521 L C -1.978 174.783 176.870 -0.181 0.000 0.945 521 L CA 0.152 55.070 54.840 0.129 0.000 0.848 521 L CB 2.248 44.484 42.059 0.296 0.000 1.334 521 L HN 1.165 nan 8.230 nan 0.000 0.407 522 A N 3.721 126.518 122.820 -0.039 0.000 2.574 522 A HA 0.822 5.141 4.320 -0.002 0.000 0.297 522 A C -1.947 175.644 177.584 0.012 0.000 1.062 522 A CA -0.539 51.425 52.037 -0.121 0.000 0.686 522 A CB 1.985 20.896 19.000 -0.149 0.000 1.285 522 A HN 0.614 nan 8.150 nan 0.000 0.403 523 V N 1.792 121.714 119.914 0.014 0.000 2.407 523 V HA 0.852 4.971 4.120 -0.002 0.000 0.291 523 V C 0.717 176.824 176.094 0.022 0.000 1.018 523 V CA 0.775 63.093 62.300 0.031 0.000 0.842 523 V CB 0.635 32.479 31.823 0.035 0.000 0.996 523 V HN 2.168 nan 8.190 nan 0.000 0.426 524 G N 3.554 112.365 108.800 0.018 0.000 2.470 524 G HA2 0.686 4.645 3.960 -0.002 0.000 0.145 524 G HA3 0.686 4.645 3.960 -0.002 0.000 0.145 524 G C -0.641 174.272 174.900 0.023 0.000 1.223 524 G CA 0.651 45.762 45.100 0.019 0.000 1.058 524 G HN 1.397 nan 8.290 nan 0.000 0.469 525 A N -1.240 121.594 122.820 0.023 0.000 3.201 525 A HA 0.822 5.141 4.320 -0.002 0.000 0.303 525 A C -1.185 176.414 177.584 0.026 0.000 1.173 525 A CA 0.912 52.964 52.037 0.026 0.000 0.621 525 A CB 0.937 19.951 19.000 0.023 0.000 1.468 525 A HN 1.274 nan 8.150 nan 0.000 0.632 530 P HA 0.211 nan 4.420 nan 0.000 0.272 530 P C -0.475 176.784 177.300 -0.068 0.000 1.230 530 P CA -0.456 62.597 63.100 -0.078 0.000 0.788 530 P CB 0.811 32.433 31.700 -0.130 0.000 0.949 531 A N 1.522 124.315 122.820 -0.046 0.000 2.407 531 A HA 0.498 4.817 4.320 -0.002 0.000 0.248 531 A C 0.629 178.191 177.584 -0.037 0.000 1.082 531 A CA -0.148 51.871 52.037 -0.031 0.000 0.785 531 A CB -0.379 18.616 19.000 -0.010 0.000 1.020 531 A HN 0.743 nan 8.150 nan 0.000 0.489 532 A N 3.163 125.965 122.820 -0.030 0.000 2.567 532 A HA 0.470 4.790 4.320 -0.002 0.000 0.240 532 A C -2.196 175.389 177.584 0.001 0.000 1.053 532 A CA -0.605 51.416 52.037 -0.026 0.000 0.755 532 A CB -0.788 18.203 19.000 -0.016 0.000 0.978 532 A HN 0.618 nan 8.150 nan 0.000 0.507 533 P HA 0.166 nan 4.420 nan 0.000 0.275 533 P C -0.748 176.593 177.300 0.068 0.000 1.228 533 P CA -0.513 62.624 63.100 0.062 0.000 0.786 533 P CB 0.489 32.212 31.700 0.039 0.000 0.927 534 N N 1.624 120.381 118.700 0.095 0.000 2.508 534 N HA 0.150 4.889 4.740 -0.002 0.000 0.253 534 N C -0.694 174.886 175.510 0.116 0.000 1.145 534 N CA 0.004 53.102 53.050 0.080 0.000 0.973 534 N CB -0.104 38.419 38.487 0.060 0.000 1.305 534 N HN 0.103 nan 8.380 nan 0.000 0.506 535 V N 2.541 122.521 119.914 0.109 0.000 2.439 535 V HA 0.289 4.409 4.120 -0.002 0.000 0.282 535 V C 0.089 176.229 176.094 0.077 0.000 1.039 535 V CA -0.811 61.578 62.300 0.149 0.000 0.913 535 V CB 1.215 33.139 31.823 0.167 0.000 0.983 535 V HN 0.438 nan 8.190 nan 0.000 0.460 536 N N 3.213 121.945 118.700 0.053 0.000 2.476 536 N HA 0.330 5.069 4.740 -0.002 0.000 0.257 536 N C -0.496 175.025 175.510 0.018 0.000 0.970 536 N CA -0.376 52.686 53.050 0.020 0.000 0.938 536 N CB 1.918 40.403 38.487 -0.002 0.000 1.144 536 N HN 0.409 nan 8.380 nan 0.000 0.500 537 V N 3.055 122.983 119.914 0.022 0.000 2.458 537 V HA 0.047 4.166 4.120 -0.002 0.000 0.287 537 V C 0.927 177.035 176.094 0.023 0.000 1.009 537 V CA 0.471 62.784 62.300 0.022 0.000 1.091 537 V CB -0.570 31.262 31.823 0.015 0.000 0.960 537 V HN 0.525 nan 8.190 nan 0.000 0.476 538 R N 3.804 124.324 120.500 0.034 0.000 2.836 538 R HA 0.488 4.827 4.340 -0.002 0.000 0.269 538 R C -0.960 175.394 176.300 0.089 0.000 1.010 538 R CA -0.824 55.305 56.100 0.047 0.000 0.930 538 R CB 1.941 32.261 30.300 0.033 0.000 1.218 538 R HN 0.712 nan 8.270 nan 0.000 0.473 539 Q N 1.559 121.417 119.800 0.097 0.000 2.243 539 Q HA 0.217 4.556 4.340 -0.002 0.000 0.252 539 Q C -1.318 174.813 176.000 0.217 0.000 0.909 539 Q CA -0.375 55.505 55.803 0.128 0.000 0.922 539 Q CB 1.680 30.462 28.738 0.074 0.000 1.215 539 Q HN 0.439 nan 8.270 nan 0.000 0.427 547 I N 0.085 120.642 120.570 -0.021 0.000 2.957 547 I HA 0.707 4.876 4.170 -0.002 0.000 0.310 547 I C -0.499 175.665 176.117 0.079 0.000 1.063 547 I CA -1.077 60.243 61.300 0.034 0.000 1.033 547 I CB 2.467 40.450 38.000 -0.029 0.000 1.230 547 I HN 0.113 nan 8.210 nan 0.000 0.447 548 Q N 4.457 124.341 119.800 0.141 0.000 2.274 548 Q HA 0.532 4.871 4.340 -0.002 0.000 0.268 548 Q C -2.091 173.948 176.000 0.065 0.000 1.015 548 Q CA -0.739 55.174 55.803 0.184 0.000 0.775 548 Q CB 1.658 30.587 28.738 0.319 0.000 1.256 548 Q HN 0.469 nan 8.270 nan 0.000 0.442 549 L N 3.632 124.867 121.223 0.020 0.000 2.295 549 L HA 0.585 4.924 4.340 -0.002 0.000 0.285 549 L C -0.731 175.955 176.870 -0.308 0.000 1.035 549 L CA -0.469 54.362 54.840 -0.013 0.000 0.806 549 L CB 1.812 43.977 42.059 0.177 0.000 1.214 549 L HN 0.410 nan 8.230 nan 0.000 0.426 550 V N 2.403 122.146 119.914 -0.284 0.000 2.709 550 V HA 0.390 4.509 4.120 -0.002 0.000 0.308 550 V C -0.521 175.391 176.094 -0.303 0.000 1.062 550 V CA -0.507 61.465 62.300 -0.548 0.000 0.901 550 V CB 1.675 33.286 31.823 -0.355 0.000 1.003 550 V HN 0.957 nan 8.190 nan 0.000 0.425 551 W N 1.204 122.370 121.300 -0.222 0.000 2.977 551 W HA 0.579 5.238 4.660 -0.002 0.000 0.236 551 W C 0.272 176.699 176.519 -0.154 0.000 1.053 551 W CA 0.017 57.239 57.345 -0.204 0.000 1.375 551 W CB -0.189 29.086 29.460 -0.309 0.000 0.814 551 W HN 0.602 nan 8.180 nan 0.000 0.713 557 V N 2.696 122.584 119.914 -0.042 0.000 2.398 557 V HA 0.333 4.452 4.120 -0.002 0.000 0.286 557 V C 1.311 177.359 176.094 -0.077 0.000 1.026 557 V CA -0.277 61.933 62.300 -0.151 0.000 0.868 557 V CB 1.553 33.174 31.823 -0.336 0.000 0.982 557 V HN 0.304 nan 8.190 nan 0.000 0.443 558 H N 6.492 125.459 119.070 -0.172 0.000 2.317 558 H HA 0.101 4.657 4.556 -0.001 0.000 0.304 558 H C 0.369 175.714 175.328 0.028 0.000 1.067 558 H CA 1.894 57.927 56.048 -0.024 0.000 1.352 558 H CB 0.368 30.154 29.762 0.041 0.000 1.398 558 H HN 0.882 nan 8.280 nan 0.000 0.510 559 H N -3.223 115.731 119.070 -0.193 0.000 2.981 559 H HA 0.181 4.736 4.556 -0.002 0.000 0.327 559 H C -1.875 173.212 175.328 -0.402 0.000 1.342 559 H CA -0.873 55.075 56.048 -0.167 0.000 1.123 559 H CB 0.366 30.110 29.762 -0.030 0.000 1.851 559 H HN 0.043 nan 8.280 nan 0.000 0.531 560 Y N 0.321 120.469 120.300 -0.253 0.000 2.409 560 Y HA 0.584 5.133 4.550 -0.002 0.000 0.339 560 Y C 0.453 176.165 175.900 -0.313 0.000 1.033 560 Y CA -0.858 56.961 58.100 -0.468 0.000 1.094 560 Y CB 2.024 39.997 38.460 -0.813 0.000 1.210 560 Y HN 0.305 nan 8.280 nan 0.000 0.456 561 R N 1.564 121.921 120.500 -0.238 0.000 2.534 561 R HA 0.668 5.007 4.340 -0.002 0.000 0.301 561 R C -1.674 174.476 176.300 -0.251 0.000 0.961 561 R CA -1.006 54.927 56.100 -0.277 0.000 0.871 561 R CB 2.107 32.216 30.300 -0.318 0.000 1.170 561 R HN 0.390 nan 8.270 nan 0.000 0.446 562 V N 4.477 124.205 119.914 -0.309 0.000 2.313 562 V HA 0.297 4.417 4.120 -0.002 0.000 0.278 562 V C -0.824 175.106 176.094 -0.274 0.000 1.017 562 V CA -0.789 61.402 62.300 -0.181 0.000 0.823 562 V CB 0.369 32.140 31.823 -0.086 0.000 1.010 562 V HN 0.604 nan 8.190 nan 0.000 0.443 563 Y N 2.884 123.153 120.300 -0.052 0.000 2.335 563 Y HA 0.530 5.079 4.550 -0.002 0.000 0.323 563 Y C 0.507 176.417 175.900 0.016 0.000 1.224 563 Y CA -0.380 57.699 58.100 -0.036 0.000 1.241 563 Y CB 1.304 39.741 38.460 -0.038 0.000 1.235 563 Y HN 0.394 nan 8.280 nan 0.000 0.492 564 K N 2.269 122.774 120.400 0.175 0.000 2.345 564 K HA 0.258 4.577 4.320 -0.002 0.000 0.255 564 K C -1.127 175.546 176.600 0.123 0.000 0.934 564 K CA -0.569 55.788 56.287 0.117 0.000 0.801 564 K CB 1.122 33.651 32.500 0.049 0.000 1.137 564 K HN 0.755 nan 8.250 nan 0.000 0.424 565 E N 2.295 122.570 120.200 0.124 0.000 2.324 565 E HA 0.047 4.396 4.350 -0.002 0.000 0.271 565 E C -0.102 176.528 176.600 0.049 0.000 1.028 565 E CA 0.263 56.714 56.400 0.085 0.000 0.890 565 E CB 1.060 30.822 29.700 0.103 0.000 1.004 565 E HN 0.656 nan 8.360 nan 0.000 0.431 571 E N 2.805 123.110 120.200 0.175 0.000 2.224 571 E HA 0.303 4.652 4.350 -0.002 0.000 0.265 571 E C -1.476 175.166 176.600 0.069 0.000 0.878 571 E CA -1.088 55.389 56.400 0.129 0.000 0.759 571 E CB 1.559 31.291 29.700 0.054 0.000 1.164 571 E HN 0.563 nan 8.360 nan 0.000 0.414 572 L N 6.497 127.653 121.223 -0.112 0.000 2.418 572 L HA 0.217 4.556 4.340 -0.002 0.000 0.274 572 L C 0.342 177.019 176.870 -0.322 0.000 1.135 572 L CA 0.651 55.180 54.840 -0.518 0.000 0.870 572 L CB 0.572 42.195 42.059 -0.727 0.000 1.154 572 L HN 0.750 nan 8.230 nan 0.000 0.462 573 I N 1.464 121.856 120.570 -0.297 0.000 4.154 573 I HA 0.646 4.815 4.170 -0.002 0.000 0.334 573 I C 0.563 176.580 176.117 -0.167 0.000 1.371 573 I CA 0.010 61.208 61.300 -0.170 0.000 1.110 573 I CB 0.345 38.291 38.000 -0.091 0.000 1.085 573 I HN 0.596 nan 8.210 nan 0.000 0.398 574 G N 1.068 109.716 108.800 -0.254 0.000 2.655 574 G HA2 0.533 4.492 3.960 -0.002 0.000 0.296 574 G HA3 0.533 4.492 3.960 -0.002 0.000 0.296 574 G C -1.088 173.674 174.900 -0.230 0.000 1.485 574 G CA -0.035 44.961 45.100 -0.174 0.000 0.869 574 G HN 0.178 nan 8.290 nan 0.000 0.540 575 T N -2.052 112.421 114.554 -0.135 0.000 2.900 575 T HA 0.835 5.184 4.350 -0.002 0.000 0.295 575 T C -0.645 174.118 174.700 0.104 0.000 1.044 575 T CA -0.850 61.209 62.100 -0.067 0.000 0.995 575 T CB 2.108 70.867 68.868 -0.181 0.000 1.072 575 T HN 1.419 nan 8.240 nan 0.000 0.473 576 S N -0.217 115.612 115.700 0.215 0.000 2.543 576 S HA 0.649 5.118 4.470 -0.002 0.000 0.271 576 S C 0.201 175.012 174.600 0.353 0.000 1.148 576 S CA -0.171 58.212 58.200 0.304 0.000 0.914 576 S CB 1.247 64.725 63.200 0.462 0.000 1.096 576 S HN 1.310 nan 8.310 nan 0.000 0.471 577 A N 3.219 126.192 122.820 0.255 0.000 2.387 577 A HA 0.635 4.954 4.320 -0.002 0.000 0.234 577 A C 0.960 178.662 177.584 0.196 0.000 1.253 577 A CA 0.497 52.661 52.037 0.212 0.000 0.894 577 A CB -0.445 18.612 19.000 0.094 0.000 0.963 577 A HN 0.928 nan 8.150 nan 0.000 0.508 578 G N -0.137 108.758 108.800 0.158 0.000 2.940 578 G HA2 0.397 4.356 3.960 -0.002 0.000 0.164 578 G HA3 0.397 4.356 3.960 -0.002 0.000 0.164 578 G C 0.165 174.883 174.900 -0.303 0.000 1.326 578 G CA 0.531 45.533 45.100 -0.165 0.000 1.020 578 G HN 0.217 nan 8.290 nan 0.000 0.586 579 D N -1.487 118.500 120.400 -0.688 0.000 2.395 579 D HA 0.118 4.757 4.640 -0.002 0.000 0.213 579 D C 0.774 176.103 176.300 -1.619 0.000 1.110 579 D CA -0.237 53.217 54.000 -0.909 0.000 0.835 579 D CB 0.229 40.635 40.800 -0.657 0.000 0.965 579 D HN 0.615 nan 8.370 nan 0.000 0.505 580 R N -1.301 118.415 120.500 -1.308 0.000 2.728 580 R HA 0.678 5.017 4.340 -0.002 0.000 0.274 580 R C -1.871 174.110 176.300 -0.532 0.000 1.030 580 R CA -1.030 54.300 56.100 -1.284 0.000 0.876 580 R CB 0.918 30.678 30.300 -0.899 0.000 1.259 580 R HN 0.028 nan 8.270 nan 0.000 0.468 581 I N 1.105 121.555 120.570 -0.199 0.000 2.752 581 I HA 0.387 4.557 4.170 -0.002 0.000 0.295 581 I C -1.670 174.629 176.117 0.304 0.000 1.219 581 I CA -1.179 60.248 61.300 0.212 0.000 1.030 581 I CB 2.552 40.721 38.000 0.282 0.000 1.259 581 I HN 0.780 nan 8.210 nan 0.000 0.423 582 Y N 7.747 128.163 120.300 0.193 0.000 2.327 582 Y HA 0.698 5.247 4.550 -0.002 0.000 0.336 582 Y C -1.157 174.747 175.900 0.007 0.000 1.035 582 Y CA -0.036 58.057 58.100 -0.011 0.000 1.165 582 Y CB 0.905 39.110 38.460 -0.424 0.000 1.181 582 Y HN 0.443 nan 8.280 nan 0.000 0.494 597 L N 3.074 124.224 121.223 -0.121 0.000 2.322 597 L HA 0.575 4.914 4.340 -0.002 0.000 0.279 597 L C 0.025 176.742 176.870 -0.255 0.000 1.036 597 L CA -0.906 53.885 54.840 -0.083 0.000 0.807 597 L CB 1.456 43.491 42.059 -0.040 0.000 1.226 597 L HN 0.438 nan 8.230 nan 0.000 0.433 598 H N 3.764 122.857 119.070 0.038 0.000 2.646 598 H HA 0.433 4.988 4.556 -0.001 0.000 0.328 598 H C -1.008 174.346 175.328 0.043 0.000 0.998 598 H CA -0.569 55.497 56.048 0.031 0.000 1.225 598 H CB 2.258 32.029 29.762 0.015 0.000 1.457 598 H HN 0.318 nan 8.280 nan 0.000 0.505 599 I N 3.521 124.131 120.570 0.067 0.000 2.362 599 I HA 0.125 4.294 4.170 -0.002 0.000 0.289 599 I C 0.145 176.234 176.117 -0.046 0.000 0.994 599 I CA -0.371 60.917 61.300 -0.020 0.000 1.158 599 I CB 1.546 39.494 38.000 -0.087 0.000 1.315 599 I HN 0.548 nan 8.210 nan 0.000 0.451 600 E N 5.325 125.473 120.200 -0.087 0.000 2.256 600 E HA 0.874 5.223 4.350 -0.002 0.000 0.267 600 E C -1.258 175.141 176.600 -0.335 0.000 0.892 600 E CA -1.350 54.956 56.400 -0.156 0.000 0.775 600 E CB 2.091 31.721 29.700 -0.117 0.000 1.207 600 E HN 0.530 nan 8.360 nan 0.000 0.420 601 A N 3.067 125.634 122.820 -0.421 0.000 2.290 601 A HA 0.507 4.826 4.320 -0.002 0.000 0.310 601 A C -0.934 176.295 177.584 -0.592 0.000 1.202 601 A CA -0.694 50.885 52.037 -0.763 0.000 0.837 601 A CB 0.275 18.868 19.000 -0.679 0.000 1.139 601 A HN 0.477 nan 8.150 nan 0.000 0.509 602 L N 2.518 123.296 121.223 -0.741 0.000 2.307 602 L HA 0.411 4.750 4.340 -0.002 0.000 0.284 602 L C 1.110 177.707 176.870 -0.456 0.000 1.023 602 L CA 0.233 54.701 54.840 -0.620 0.000 0.810 602 L CB 1.712 43.216 42.059 -0.926 0.000 1.231 602 L HN 0.866 nan 8.230 nan 0.000 0.423 603 S N 1.429 116.973 115.700 -0.260 0.000 2.626 603 S HA 0.162 4.631 4.470 -0.002 0.000 0.257 603 S C 0.979 175.582 174.600 0.005 0.000 1.288 603 S CA -0.435 57.698 58.200 -0.112 0.000 0.980 603 S CB 0.542 63.710 63.200 -0.053 0.000 0.975 603 S HN 0.608 nan 8.310 nan 0.000 0.577 604 E N 0.631 120.885 120.200 0.090 0.000 2.153 604 E HA -0.076 4.273 4.350 -0.002 0.000 0.194 604 E C 1.823 178.552 176.600 0.215 0.000 0.988 604 E CA 1.440 57.950 56.400 0.184 0.000 0.811 604 E CB -0.854 28.927 29.700 0.136 0.000 0.746 604 E HN 0.791 nan 8.360 nan 0.000 0.466 605 T N -0.030 114.620 114.554 0.159 0.000 3.148 605 T HA 0.005 4.354 4.350 -0.002 0.000 0.253 605 T C -0.003 174.883 174.700 0.309 0.000 1.134 605 T CA -0.094 62.102 62.100 0.159 0.000 1.051 605 T CB -0.123 68.795 68.868 0.084 0.000 0.959 605 T HN 0.076 nan 8.240 nan 0.000 0.525 606 F N 0.309 120.248 119.950 -0.018 0.000 2.999 606 F HA -0.176 4.350 4.527 -0.001 0.000 0.291 606 F C 0.131 175.901 175.800 -0.051 0.000 0.824 606 F CA -0.519 57.457 58.000 -0.040 0.000 1.255 606 F CB -2.263 36.742 39.000 0.009 0.000 1.333 606 F HN -0.046 nan 8.300 nan 0.000 0.502 607 V N 1.746 121.685 119.914 0.042 0.000 2.455 607 V HA 0.317 4.436 4.120 -0.002 0.000 0.273 607 V C -1.697 174.330 176.094 -0.111 0.000 1.045 607 V CA -1.350 60.939 62.300 -0.019 0.000 0.976 607 V CB 0.929 32.744 31.823 -0.012 0.000 0.993 607 V HN -0.099 nan 8.190 nan 0.000 0.475 608 P HA 0.299 nan 4.420 nan 0.000 0.282 608 P C -0.207 177.007 177.300 -0.144 0.000 1.249 608 P CA -0.380 62.616 63.100 -0.174 0.000 0.806 608 P CB 0.979 32.587 31.700 -0.154 0.000 0.984 609 S N 1.150 116.750 115.700 -0.167 0.000 2.634 609 S HA 0.206 4.675 4.470 -0.002 0.000 0.261 609 S C 0.038 174.577 174.600 -0.101 0.000 1.271 609 S CA -0.637 57.488 58.200 -0.125 0.000 0.985 609 S CB 0.075 63.192 63.200 -0.138 0.000 0.968 609 S HN 0.338 nan 8.310 nan 0.000 0.568 610 D N 1.220 121.576 120.400 -0.073 0.000 2.414 610 D HA 0.333 4.972 4.640 -0.002 0.000 0.242 610 D C 0.187 176.462 176.300 -0.042 0.000 1.129 610 D CA 0.430 54.397 54.000 -0.055 0.000 0.885 610 D CB 0.827 41.604 40.800 -0.037 0.000 1.198 610 D HN 0.795 nan 8.370 nan 0.000 0.437 611 A N 2.985 125.794 122.820 -0.019 0.000 2.404 611 A HA 0.153 4.472 4.320 -0.002 0.000 0.273 611 A C 0.566 178.186 177.584 0.061 0.000 1.144 611 A CA -0.306 51.752 52.037 0.036 0.000 0.806 611 A CB 0.252 19.311 19.000 0.099 0.000 1.080 611 A HN 0.379 nan 8.150 nan 0.000 0.509 612 R N 2.867 123.379 120.500 0.019 0.000 2.351 612 R HA 0.276 4.615 4.340 -0.002 0.000 0.318 612 R C -0.031 176.237 176.300 -0.052 0.000 1.055 612 R CA 0.431 56.527 56.100 -0.006 0.000 0.968 612 R CB -0.246 30.048 30.300 -0.010 0.000 0.974 612 R HN 0.775 nan 8.270 nan 0.000 0.439 613 M N 4.836 124.379 119.600 -0.096 0.000 2.217 613 M HA 0.292 4.771 4.480 -0.002 0.000 0.354 613 M C -0.297 175.899 176.300 -0.174 0.000 1.225 613 M CA 0.253 55.389 55.300 -0.273 0.000 1.137 613 M CB 0.850 33.320 32.600 -0.217 0.000 1.576 613 M HN 0.477 nan 8.290 nan 0.000 0.461 614 I N 1.305 121.755 120.570 -0.201 0.000 2.827 614 I HA 0.298 4.467 4.170 -0.002 0.000 0.298 614 I C -0.926 175.132 176.117 -0.097 0.000 1.235 614 I CA -0.613 60.624 61.300 -0.104 0.000 1.021 614 I CB 2.552 40.519 38.000 -0.055 0.000 1.259 614 I HN 0.617 nan 8.210 nan 0.000 0.427 615 D N 0.000 120.365 120.400 -0.058 0.000 6.856 615 D HA 0.000 4.639 4.640 -0.002 0.000 0.175 615 D CA 0.000 53.974 54.000 -0.044 0.000 0.868 615 D CB 0.000 40.779 40.800 -0.034 0.000 0.688 615 D HN 0.000 nan 8.370 nan 0.000 0.683