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 1nda_1_B DATA FIRST_RESID 4 DATA SEQUENCE IFDLVVIGAG SGGLEAAWNA ATLYKKRVAV IDVQMVHGPP FFSALGGTcV DATA SEQUENCE NVGcVPKKLM VTGAQYMEHL RESAGFGWEF DRTTLRAEWK KLIAVKDEAV DATA SEQUENCE LNINKSYEEM FRDTEGLEFF LGWGSLESKN VVNVRESADP ASAVKERLET DATA SEQUENCE ENILLASGSW PHMPNIPGIE HCISSNEAFY LPEPPRRVLT VGGGFISVEF DATA SEQUENCE AGIFNAYKPK DGQVTLCYRG EMILRGFDHT LREELTKQLT ANGIQILTKE DATA SEQUENCE NPAKVELNAD GSKSVTFESG KKMDFDLVMM AIGRSPRTKD LQLQNAGVMI DATA SEQUENCE KNGGVQVDEY SRTNVSNIYA IGDVTNRVML TPVAINEAAA LVDTVFGTNP DATA SEQUENCE RKTDHTRVAS AVFSIPPIGT CGLIEEVASK RYEVVAVYLS SFTPLMHNIS DATA SEQUENCE GSKYKTFVAK IITNHSDGTV LGVHLLGDNA PEIIQGVGIC LKLNAKISDF DATA SEQUENCE YNTIGVHPTS AEELCSMRTP SYYYVKGEKM E 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 175.880 176.117 -0.396 0.000 1.063 4 I CA 0.000 61.157 61.300 -0.238 0.000 1.566 4 I CB 0.000 37.943 38.000 -0.096 0.000 1.214 5 F N 5.418 125.407 119.950 0.065 0.000 2.523 5 F HA 0.482 5.009 4.527 0.000 0.000 0.329 5 F C 1.247 177.106 175.800 0.099 0.000 1.061 5 F CA -0.393 57.658 58.000 0.085 0.000 0.967 5 F CB 1.289 40.354 39.000 0.108 0.000 1.218 5 F HN 0.446 nan 8.300 nan 0.000 0.480 6 D N 0.534 121.126 120.400 0.320 0.000 2.149 6 D HA -0.014 4.626 4.640 0.000 0.000 0.201 6 D C -0.098 176.418 176.300 0.360 0.000 0.972 6 D CA 1.513 55.694 54.000 0.302 0.000 0.835 6 D CB 0.464 41.426 40.800 0.270 0.000 0.966 6 D HN 0.111 nan 8.370 nan 0.000 0.476 7 L N 0.598 122.011 121.223 0.316 0.000 2.464 7 L HA 0.275 4.615 4.340 0.000 0.000 0.266 7 L C -1.483 175.482 176.870 0.158 0.000 0.965 7 L CA -0.597 54.407 54.840 0.273 0.000 0.833 7 L CB 2.484 44.704 42.059 0.269 0.000 1.296 7 L HN -0.355 nan 8.230 nan 0.000 0.405 8 V N 5.527 125.518 119.914 0.129 0.000 2.350 8 V HA 0.463 4.583 4.120 0.000 0.000 0.285 8 V C -0.467 175.667 176.094 0.067 0.000 1.014 8 V CA -0.717 61.608 62.300 0.041 0.000 0.831 8 V CB 1.663 33.499 31.823 0.021 0.000 1.000 8 V HN 0.470 nan 8.190 nan 0.000 0.433 9 V N 6.516 126.465 119.914 0.059 0.000 2.348 9 V HA 0.386 4.506 4.120 0.000 0.000 0.270 9 V C 0.270 176.395 176.094 0.051 0.000 1.037 9 V CA -0.319 62.028 62.300 0.079 0.000 0.872 9 V CB 1.240 33.121 31.823 0.097 0.000 1.002 9 V HN 0.686 nan 8.190 nan 0.000 0.464 10 I N 5.249 125.847 120.570 0.046 0.000 2.329 10 I HA 0.520 4.690 4.170 0.000 0.000 0.295 10 I C 0.954 177.084 176.117 0.020 0.000 1.109 10 I CA 0.420 61.731 61.300 0.018 0.000 1.297 10 I CB 0.240 38.254 38.000 0.023 0.000 1.433 10 I HN 0.885 nan 8.210 nan 0.000 0.509 11 G N 4.646 113.446 108.800 0.000 0.000 3.353 11 G HA2 0.075 4.035 3.960 0.000 0.000 0.682 11 G HA3 0.075 4.035 3.960 0.000 0.000 0.682 11 G C -0.178 174.750 174.900 0.047 0.000 1.192 11 G CA -0.471 44.635 45.100 0.010 0.000 1.111 11 G HN 0.888 nan 8.290 nan 0.000 0.493 12 A N 1.920 124.778 122.820 0.063 0.000 3.077 12 A HA 0.687 5.008 4.320 0.000 0.000 0.255 12 A C 1.486 179.071 177.584 0.002 0.000 1.728 12 A CA 1.272 53.354 52.037 0.075 0.000 1.383 12 A CB -0.442 18.635 19.000 0.128 0.000 1.097 12 A HN 1.989 nan 8.150 nan 0.000 0.634 13 G N -0.395 108.416 108.800 0.020 0.000 2.582 13 G HA2 0.338 4.299 3.960 0.000 0.000 0.232 13 G HA3 0.338 4.299 3.960 0.000 0.000 0.232 13 G C 1.137 176.033 174.900 -0.006 0.000 1.458 13 G CA 0.499 45.609 45.100 0.017 0.000 1.062 13 G HN 0.357 nan 8.290 nan 0.000 0.566 14 S N -0.526 115.189 115.700 0.025 0.000 2.362 14 S HA -0.018 4.452 4.470 0.000 0.000 0.221 14 S C 2.424 177.047 174.600 0.039 0.000 1.032 14 S CA 1.300 59.518 58.200 0.030 0.000 0.973 14 S CB -0.468 62.761 63.200 0.050 0.000 0.849 14 S HN 0.714 nan 8.310 nan 0.000 0.465 15 G N 0.908 109.741 108.800 0.056 0.000 2.430 15 G HA2 0.069 4.029 3.960 0.000 0.000 0.216 15 G HA3 0.069 4.029 3.960 0.000 0.000 0.216 15 G C 1.389 176.332 174.900 0.071 0.000 1.146 15 G CA 0.808 45.949 45.100 0.067 0.000 0.793 15 G HN 0.537 nan 8.290 nan 0.000 0.537 16 G N 1.033 109.873 108.800 0.066 0.000 2.453 16 G HA2 -0.145 3.815 3.960 0.000 0.000 0.215 16 G HA3 -0.145 3.815 3.960 0.000 0.000 0.215 16 G C 1.625 176.573 174.900 0.081 0.000 1.201 16 G CA 0.751 45.897 45.100 0.076 0.000 0.784 16 G HN 0.287 nan 8.290 nan 0.000 0.545 17 L N 0.878 122.131 121.223 0.049 0.000 2.265 17 L HA 0.052 4.393 4.340 0.000 0.000 0.215 17 L C 2.537 179.451 176.870 0.074 0.000 1.117 17 L CA 1.777 56.641 54.840 0.040 0.000 0.782 17 L CB -0.470 41.521 42.059 -0.113 0.000 0.914 17 L HN 0.412 nan 8.230 nan 0.000 0.441 18 E N -0.511 119.734 120.200 0.074 0.000 2.076 18 E HA -0.098 4.252 4.350 0.000 0.000 0.190 18 E C 2.175 178.861 176.600 0.143 0.000 0.979 18 E CA 1.311 57.774 56.400 0.105 0.000 0.807 18 E CB -0.131 29.615 29.700 0.077 0.000 0.761 18 E HN 0.331 nan 8.360 nan 0.000 0.454 19 A N 0.777 123.668 122.820 0.118 0.000 1.968 19 A HA 0.114 4.434 4.320 0.000 0.000 0.217 19 A C 2.399 180.043 177.584 0.099 0.000 1.169 19 A CA 1.616 53.724 52.037 0.119 0.000 0.638 19 A CB -0.861 18.208 19.000 0.115 0.000 0.812 19 A HN 0.387 nan 8.150 nan 0.000 0.446 20 A N -0.975 121.904 122.820 0.099 0.000 1.877 20 A HA -0.191 4.129 4.320 0.000 0.000 0.216 20 A C 2.131 179.728 177.584 0.021 0.000 1.186 20 A CA 1.426 53.499 52.037 0.060 0.000 0.620 20 A CB -0.907 18.150 19.000 0.095 0.000 0.822 20 A HN 0.861 nan 8.150 nan 0.000 0.443 21 W N 0.880 122.124 121.300 -0.093 0.000 2.388 21 W HA -0.137 4.523 4.660 0.000 0.000 0.294 21 W C 1.485 177.950 176.519 -0.090 0.000 1.212 21 W CA 1.767 59.041 57.345 -0.118 0.000 1.271 21 W CB -0.374 29.023 29.460 -0.106 0.000 1.126 21 W HN 0.399 nan 8.180 nan 0.000 0.535 22 N N 0.713 119.453 118.700 0.068 0.000 2.244 22 N HA -0.083 4.657 4.740 0.000 0.000 0.183 22 N C 1.893 177.360 175.510 -0.072 0.000 1.016 22 N CA 2.069 55.123 53.050 0.008 0.000 0.866 22 N CB -0.589 37.980 38.487 0.137 0.000 0.980 22 N HN 0.149 nan 8.380 nan 0.000 0.430 23 A N 0.309 123.080 122.820 -0.083 0.000 1.855 23 A HA 0.211 4.531 4.320 0.000 0.000 0.213 23 A C 2.257 179.671 177.584 -0.283 0.000 1.195 23 A CA 1.486 53.405 52.037 -0.197 0.000 0.610 23 A CB -1.042 17.699 19.000 -0.431 0.000 0.837 23 A HN 0.266 nan 8.150 nan 0.000 0.444 24 A N -1.155 121.478 122.820 -0.313 0.000 1.883 24 A HA -0.111 4.209 4.320 0.000 0.000 0.217 24 A C 2.325 179.660 177.584 -0.414 0.000 1.186 24 A CA 2.513 54.351 52.037 -0.332 0.000 0.624 24 A CB -1.140 17.653 19.000 -0.345 0.000 0.822 24 A HN 0.414 nan 8.150 nan 0.000 0.444 25 T N -0.896 113.285 114.554 -0.623 0.000 2.939 25 T HA 0.098 4.448 4.350 0.000 0.000 0.254 25 T C 1.673 176.100 174.700 -0.455 0.000 1.041 25 T CA 1.058 62.753 62.100 -0.676 0.000 1.142 25 T CB -0.136 67.986 68.868 -1.243 0.000 0.874 25 T HN 0.168 nan 8.240 nan 0.000 0.452 26 L N -0.304 120.636 121.223 -0.473 0.000 2.202 26 L HA 0.213 4.553 4.340 0.000 0.000 0.205 26 L C 1.161 177.639 176.870 -0.655 0.000 1.083 26 L CA 1.486 55.986 54.840 -0.565 0.000 0.790 26 L CB -0.416 41.206 42.059 -0.728 0.000 0.942 26 L HN 0.309 nan 8.230 nan 0.000 0.452 27 Y N -1.485 118.722 120.300 -0.155 0.000 2.481 27 Y HA 0.245 4.795 4.550 0.000 0.000 0.247 27 Y C 0.752 176.570 175.900 -0.138 0.000 1.151 27 Y CA -1.031 57.002 58.100 -0.112 0.000 1.238 27 Y CB 0.107 38.513 38.460 -0.089 0.000 1.179 27 Y HN -0.086 nan 8.280 nan 0.000 0.524 28 K N 0.158 120.494 120.400 -0.106 0.000 3.125 28 K HA -0.209 4.111 4.320 0.000 0.000 0.268 28 K C -0.550 175.998 176.600 -0.087 0.000 1.078 28 K CA 0.291 56.514 56.287 -0.108 0.000 0.775 28 K CB -1.213 31.249 32.500 -0.064 0.000 1.253 28 K HN 0.094 nan 8.250 nan 0.000 0.486 29 K N 0.141 120.453 120.400 -0.147 0.000 2.109 29 K HA 0.434 4.755 4.320 0.000 0.000 0.243 29 K C -0.032 176.524 176.600 -0.073 0.000 1.006 29 K CA -0.696 55.505 56.287 -0.144 0.000 0.917 29 K CB 0.772 33.039 32.500 -0.388 0.000 1.081 29 K HN 0.211 nan 8.250 nan 0.000 0.468 30 R N 0.761 121.280 120.500 0.032 0.000 2.255 30 R HA 0.479 4.819 4.340 0.000 0.000 0.326 30 R C -1.404 175.089 176.300 0.321 0.000 0.986 30 R CA -0.489 55.719 56.100 0.180 0.000 0.847 30 R CB 0.626 31.032 30.300 0.178 0.000 1.111 30 R HN 0.289 nan 8.270 nan 0.000 0.452 31 V N 3.288 123.354 119.914 0.253 0.000 2.577 31 V HA 0.583 4.703 4.120 0.000 0.000 0.303 31 V C -0.484 175.510 176.094 -0.166 0.000 1.042 31 V CA -1.029 61.306 62.300 0.058 0.000 0.872 31 V CB 1.709 33.527 31.823 -0.008 0.000 0.998 31 V HN 0.917 nan 8.190 nan 0.000 0.423 32 A N 4.361 126.912 122.820 -0.449 0.000 2.292 32 A HA 0.867 5.187 4.320 0.000 0.000 0.319 32 A C -0.632 176.914 177.584 -0.064 0.000 1.206 32 A CA -0.510 51.291 52.037 -0.393 0.000 0.835 32 A CB 1.224 19.886 19.000 -0.563 0.000 1.164 32 A HN 0.767 nan 8.150 nan 0.000 0.505 33 V N 3.970 123.905 119.914 0.035 0.000 2.448 33 V HA 0.431 4.551 4.120 0.000 0.000 0.295 33 V C -0.356 175.680 176.094 -0.096 0.000 1.025 33 V CA -0.208 62.151 62.300 0.098 0.000 0.859 33 V CB 1.333 33.379 31.823 0.372 0.000 0.988 33 V HN 0.739 nan 8.190 nan 0.000 0.431 34 I N 3.891 124.390 120.570 -0.119 0.000 2.378 34 I HA 0.568 4.738 4.170 0.000 0.000 0.291 34 I C -0.672 175.275 176.117 -0.282 0.000 0.992 34 I CA -0.195 60.926 61.300 -0.299 0.000 1.154 34 I CB 1.758 39.669 38.000 -0.149 0.000 1.315 34 I HN 0.541 nan 8.210 nan 0.000 0.448 35 D N 4.211 124.335 120.400 -0.460 0.000 2.819 35 D HA 0.223 4.863 4.640 0.000 0.000 0.232 35 D C 0.830 176.950 176.300 -0.300 0.000 1.160 35 D CA -0.505 53.374 54.000 -0.202 0.000 0.858 35 D CB 3.300 44.186 40.800 0.144 0.000 1.610 35 D HN 0.217 nan 8.370 nan 0.000 0.481 36 V N 2.710 122.313 119.914 -0.518 0.000 2.252 36 V HA -0.281 3.839 4.120 0.000 0.000 0.255 36 V C 1.146 177.007 176.094 -0.390 0.000 1.071 36 V CA 2.069 63.857 62.300 -0.853 0.000 1.050 36 V CB -0.494 30.553 31.823 -1.293 0.000 0.654 36 V HN 0.657 nan 8.190 nan 0.000 0.448 37 Q N -1.231 118.494 119.800 -0.125 0.000 2.857 37 Q HA 0.633 4.973 4.340 0.000 0.000 0.319 37 Q C -0.397 175.658 176.000 0.092 0.000 0.963 37 Q CA -0.646 55.184 55.803 0.046 0.000 0.770 37 Q CB 1.798 30.615 28.738 0.132 0.000 1.492 37 Q HN 0.335 nan 8.270 nan 0.000 0.493 38 M N -0.720 118.909 119.600 0.049 0.000 3.262 38 M HA 0.633 5.113 4.480 0.000 0.000 0.450 38 M C -1.360 174.905 176.300 -0.058 0.000 1.524 38 M CA -0.519 54.760 55.300 -0.035 0.000 0.770 38 M CB 1.507 34.041 32.600 -0.111 0.000 1.459 38 M HN 0.280 nan 8.290 nan 0.000 0.517 39 V N 1.506 121.392 119.914 -0.047 0.000 2.950 39 V HA 0.408 4.528 4.120 0.000 0.000 0.295 39 V C -1.022 174.989 176.094 -0.140 0.000 1.297 39 V CA -0.605 61.643 62.300 -0.086 0.000 0.962 39 V CB 1.870 33.606 31.823 -0.145 0.000 1.081 39 V HN 0.809 nan 8.190 nan 0.000 0.432 40 H N 4.423 123.504 119.070 0.018 0.000 2.983 40 H HA 0.638 5.194 4.556 0.000 0.000 0.361 40 H C 0.397 175.694 175.328 -0.052 0.000 1.145 40 H CA 0.987 57.065 56.048 0.051 0.000 1.404 40 H CB 0.442 30.275 29.762 0.120 0.000 1.356 40 H HN 1.977 nan 8.280 nan 0.000 0.612 41 G N 0.521 109.299 108.800 -0.036 0.000 2.525 41 G HA2 -0.073 3.888 3.960 0.000 0.000 0.685 41 G HA3 -0.073 3.888 3.960 0.000 0.000 0.685 41 G C -3.076 171.293 174.900 -0.886 0.000 1.290 41 G CA -0.832 43.871 45.100 -0.661 0.000 0.915 41 G HN 0.805 nan 8.290 nan 0.000 0.548 42 P HA 0.279 nan 4.420 nan 0.000 0.268 42 P C -1.845 175.028 177.300 -0.712 0.000 1.204 42 P CA -0.797 61.548 63.100 -1.259 0.000 0.768 42 P CB 0.647 31.877 31.700 -0.785 0.000 0.842 43 P HA 0.219 nan 4.420 nan 0.000 0.251 43 P C 0.180 177.060 177.300 -0.700 0.000 1.198 43 P CA 0.583 63.179 63.100 -0.840 0.000 0.847 43 P CB 0.334 31.427 31.700 -1.013 0.000 1.082 44 F N -2.697 117.205 119.950 -0.080 0.000 2.682 44 F HA 0.330 4.858 4.527 0.000 0.000 0.308 44 F C 0.962 177.027 175.800 0.442 0.000 1.093 44 F CA -0.389 57.778 58.000 0.277 0.000 1.244 44 F CB -0.491 38.607 39.000 0.163 0.000 1.052 44 F HN -0.322 nan 8.300 nan 0.000 0.573 45 F N -1.381 118.740 119.950 0.285 0.000 2.571 45 F HA -0.373 4.154 4.527 0.000 0.000 0.671 45 F C 1.385 177.334 175.800 0.248 0.000 0.488 45 F CA 1.133 59.283 58.000 0.250 0.000 0.731 45 F CB -1.673 37.506 39.000 0.298 0.000 1.619 45 F HN -0.015 nan 8.300 nan 0.000 0.262 46 S N 0.803 116.772 115.700 0.448 0.000 2.592 46 S HA 0.760 5.230 4.470 0.000 0.000 0.271 46 S C -0.003 174.709 174.600 0.188 0.000 1.326 46 S CA 0.196 58.565 58.200 0.282 0.000 1.024 46 S CB 1.217 64.585 63.200 0.279 0.000 0.921 46 S HN 0.967 nan 8.310 nan 0.000 0.527 47 A N 2.960 125.856 122.820 0.127 0.000 2.524 47 A HA 0.528 4.848 4.320 0.000 0.000 0.303 47 A C -0.995 176.616 177.584 0.046 0.000 1.195 47 A CA -0.896 51.187 52.037 0.076 0.000 0.651 47 A CB 0.079 19.123 19.000 0.072 0.000 1.323 47 A HN 0.804 nan 8.150 nan 0.000 0.479 48 L N 0.840 122.056 121.223 -0.012 0.000 2.776 48 L HA 0.168 4.508 4.340 0.000 0.000 0.283 48 L C 1.443 178.304 176.870 -0.014 0.000 1.194 48 L CA 2.112 56.889 54.840 -0.105 0.000 0.947 48 L CB -0.163 41.740 42.059 -0.259 0.000 1.255 48 L HN 1.675 nan 8.230 nan 0.000 0.481 49 G N 1.596 110.313 108.800 -0.138 0.000 2.316 49 G HA2 0.001 3.961 3.960 0.000 0.000 0.203 49 G HA3 0.001 3.961 3.960 0.000 0.000 0.203 49 G C 0.571 175.468 174.900 -0.003 0.000 0.999 49 G CA -0.282 44.767 45.100 -0.084 0.000 0.649 49 G HN 1.531 nan 8.290 nan 0.000 0.489 50 G N -1.279 107.534 108.800 0.022 0.000 2.660 50 G HA2 0.105 4.066 3.960 0.000 0.000 0.215 50 G HA3 0.105 4.066 3.960 0.000 0.000 0.215 50 G C 0.708 175.652 174.900 0.074 0.000 1.345 50 G CA 0.730 45.861 45.100 0.052 0.000 0.877 50 G HN 1.190 nan 8.290 nan 0.000 0.549 51 T N -0.494 114.109 114.554 0.081 0.000 2.942 51 T HA -0.069 4.282 4.350 0.000 0.000 0.265 51 T C 2.394 177.109 174.700 0.026 0.000 1.062 51 T CA 2.131 64.274 62.100 0.071 0.000 1.139 51 T CB -0.405 68.517 68.868 0.089 0.000 0.883 51 T HN 0.962 nan 8.240 nan 0.000 0.468 52 c N 1.040 119.662 118.600 0.037 0.000 2.425 52 c HA 0.006 4.576 4.570 0.000 0.000 0.277 52 c C 2.691 176.764 174.090 -0.027 0.000 1.280 52 c CA 0.480 56.819 56.329 0.016 0.000 1.744 52 c CB -1.120 41.414 42.510 0.041 0.000 1.989 52 c HN 0.344 nan 8.230 nan 0.000 0.491 53 V N 1.373 121.288 119.914 0.001 0.000 2.535 53 V HA -0.067 4.053 4.120 0.000 0.000 0.246 53 V C 2.211 178.264 176.094 -0.069 0.000 1.045 53 V CA 1.985 64.281 62.300 -0.008 0.000 1.058 53 V CB -0.552 31.327 31.823 0.093 0.000 0.689 53 V HN 0.574 nan 8.190 nan 0.000 0.461 54 N N 0.409 119.085 118.700 -0.040 0.000 2.428 54 N HA 0.014 4.754 4.740 0.000 0.000 0.181 54 N C 1.026 176.422 175.510 -0.190 0.000 1.028 54 N CA 1.694 54.730 53.050 -0.023 0.000 0.877 54 N CB 0.778 39.346 38.487 0.134 0.000 1.064 54 N HN 0.486 nan 8.380 nan 0.000 0.434 55 V N -2.319 117.455 119.914 -0.234 0.000 2.771 55 V HA 0.721 4.841 4.120 0.000 0.000 0.355 55 V C 0.329 176.148 176.094 -0.458 0.000 1.289 55 V CA -0.415 61.561 62.300 -0.539 0.000 1.231 55 V CB 0.537 32.328 31.823 -0.052 0.000 1.396 55 V HN 0.182 nan 8.190 nan 0.000 0.628 56 G N -0.360 108.204 108.800 -0.393 0.000 3.354 56 G HA2 0.250 4.210 3.960 0.000 0.000 0.174 56 G HA3 0.250 4.210 3.960 0.000 0.000 0.174 56 G C 0.780 175.618 174.900 -0.102 0.000 1.140 56 G CA 0.613 45.645 45.100 -0.112 0.000 0.897 56 G HN 0.254 nan 8.290 nan 0.000 0.685 57 c N -0.032 118.540 118.600 -0.047 0.000 2.413 57 c HA -0.010 4.560 4.570 0.000 0.000 0.278 57 c C 2.918 176.919 174.090 -0.148 0.000 1.224 57 c CA 1.057 57.343 56.329 -0.071 0.000 1.732 57 c CB -1.372 41.123 42.510 -0.025 0.000 2.050 57 c HN 0.279 nan 8.230 nan 0.000 0.463 58 V N 2.774 122.605 119.914 -0.139 0.000 2.287 58 V HA -0.165 3.956 4.120 0.000 0.000 0.248 58 V C 0.185 176.165 176.094 -0.191 0.000 1.053 58 V CA 2.745 64.953 62.300 -0.153 0.000 1.027 58 V CB -1.782 29.966 31.823 -0.124 0.000 0.646 58 V HN 0.492 nan 8.190 nan 0.000 0.447 59 P HA -0.124 nan 4.420 nan 0.000 0.220 59 P C 1.301 178.535 177.300 -0.110 0.000 1.152 59 P CA 1.340 64.295 63.100 -0.241 0.000 0.812 59 P CB -0.015 31.416 31.700 -0.450 0.000 0.792 60 K N 0.454 120.817 120.400 -0.062 0.000 2.155 60 K HA -0.046 4.275 4.320 0.000 0.000 0.203 60 K C 2.117 178.565 176.600 -0.254 0.000 1.052 60 K CA 1.285 57.516 56.287 -0.093 0.000 0.948 60 K CB -0.797 31.642 32.500 -0.101 0.000 0.728 60 K HN -0.075 nan 8.250 nan 0.000 0.448 61 K N 0.164 120.387 120.400 -0.296 0.000 2.228 61 K HA 0.049 4.369 4.320 0.000 0.000 0.202 61 K C 1.615 178.079 176.600 -0.227 0.000 1.051 61 K CA 0.525 56.588 56.287 -0.372 0.000 0.960 61 K CB -0.005 32.217 32.500 -0.464 0.000 0.743 61 K HN 0.102 nan 8.250 nan 0.000 0.458 62 L N 0.680 121.795 121.223 -0.179 0.000 2.141 62 L HA -0.073 4.267 4.340 0.000 0.000 0.209 62 L C 2.202 179.005 176.870 -0.111 0.000 1.094 62 L CA 1.542 56.306 54.840 -0.126 0.000 0.763 62 L CB -0.311 41.667 42.059 -0.134 0.000 0.908 62 L HN 0.185 nan 8.230 nan 0.000 0.437 63 M N -2.606 116.901 119.600 -0.154 0.000 2.334 63 M HA -0.080 4.400 4.480 0.000 0.000 0.266 63 M C 2.078 178.320 176.300 -0.096 0.000 1.082 63 M CA 0.616 55.821 55.300 -0.158 0.000 1.141 63 M CB 0.055 32.505 32.600 -0.249 0.000 1.380 63 M HN -0.000 nan 8.290 nan 0.000 0.440 64 V N -0.097 119.723 119.914 -0.157 0.000 2.379 64 V HA -0.205 3.916 4.120 0.000 0.000 0.245 64 V C 2.225 178.275 176.094 -0.073 0.000 1.044 64 V CA 2.005 64.233 62.300 -0.119 0.000 1.036 64 V CB -0.689 31.049 31.823 -0.141 0.000 0.664 64 V HN 0.459 nan 8.190 nan 0.000 0.453 65 T N 0.257 114.760 114.554 -0.085 0.000 2.759 65 T HA -0.136 4.214 4.350 0.000 0.000 0.269 65 T C 1.839 176.497 174.700 -0.071 0.000 1.042 65 T CA 1.563 63.603 62.100 -0.099 0.000 1.140 65 T CB -0.533 68.298 68.868 -0.063 0.000 0.864 65 T HN 0.624 nan 8.240 nan 0.000 0.455 66 G N 0.814 109.670 108.800 0.093 0.000 2.408 66 G HA2 0.029 3.989 3.960 0.000 0.000 0.217 66 G HA3 0.029 3.989 3.960 0.000 0.000 0.217 66 G C 1.765 176.801 174.900 0.225 0.000 1.150 66 G CA 0.736 46.017 45.100 0.302 0.000 0.776 66 G HN 0.571 nan 8.290 nan 0.000 0.542 67 A N -0.353 122.554 122.820 0.144 0.000 2.066 67 A HA 0.035 4.355 4.320 0.000 0.000 0.218 67 A C 2.273 179.797 177.584 -0.101 0.000 1.157 67 A CA 1.460 53.497 52.037 -0.001 0.000 0.670 67 A CB -0.228 18.803 19.000 0.051 0.000 0.804 67 A HN 0.307 nan 8.150 nan 0.000 0.453 68 Q N -1.301 118.408 119.800 -0.152 0.000 2.167 68 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 68 Q C 1.302 177.073 176.000 -0.382 0.000 0.970 68 Q CA 1.136 56.763 55.803 -0.293 0.000 0.855 68 Q CB -0.289 28.249 28.738 -0.332 0.000 0.911 68 Q HN 0.808 nan 8.270 nan 0.000 0.438 69 Y N 0.350 120.597 120.300 -0.089 0.000 2.569 69 Y HA -0.184 4.366 4.550 0.000 0.000 0.293 69 Y C 2.189 178.053 175.900 -0.061 0.000 1.144 69 Y CA 1.244 59.329 58.100 -0.024 0.000 1.321 69 Y CB -0.467 38.006 38.460 0.021 0.000 0.982 69 Y HN 0.227 nan 8.280 nan 0.000 0.558 70 M N -0.856 118.743 119.600 -0.002 0.000 2.288 70 M HA -0.059 4.421 4.480 0.000 0.000 0.266 70 M C 1.548 177.845 176.300 -0.006 0.000 1.072 70 M CA 1.537 56.834 55.300 -0.005 0.000 1.132 70 M CB 0.058 32.617 32.600 -0.068 0.000 1.386 70 M HN -0.134 nan 8.290 nan 0.000 0.432 71 E N 0.459 120.596 120.200 -0.105 0.000 2.028 71 E HA -0.180 4.170 4.350 0.000 0.000 0.191 71 E C 2.115 178.689 176.600 -0.045 0.000 0.988 71 E CA 1.443 57.778 56.400 -0.109 0.000 0.799 71 E CB -0.856 28.703 29.700 -0.236 0.000 0.755 71 E HN 0.669 nan 8.360 nan 0.000 0.447 72 H N 0.375 119.485 119.070 0.067 0.000 2.352 72 H HA -0.072 4.484 4.556 0.000 0.000 0.299 72 H C 2.130 177.525 175.328 0.112 0.000 1.097 72 H CA 0.794 56.886 56.048 0.074 0.000 1.311 72 H CB -0.285 29.525 29.762 0.081 0.000 1.377 72 H HN 0.042 nan 8.280 nan 0.000 0.504 73 L N 0.529 121.898 121.223 0.243 0.000 2.141 73 L HA -0.073 4.267 4.340 0.000 0.000 0.209 73 L C 2.659 179.703 176.870 0.290 0.000 1.094 73 L CA 1.177 56.181 54.840 0.273 0.000 0.763 73 L CB -0.670 41.544 42.059 0.259 0.000 0.908 73 L HN 0.163 nan 8.230 nan 0.000 0.437 74 R N 0.520 121.140 120.500 0.199 0.000 2.060 74 R HA -0.122 4.218 4.340 0.000 0.000 0.225 74 R C 1.842 178.256 176.300 0.190 0.000 1.155 74 R CA 1.568 57.766 56.100 0.163 0.000 0.930 74 R CB -0.176 30.194 30.300 0.117 0.000 0.829 74 R HN 0.523 nan 8.270 nan 0.000 0.433 75 E N 0.812 121.134 120.200 0.203 0.000 2.516 75 E HA -0.087 4.263 4.350 0.000 0.000 0.199 75 E C 1.539 178.346 176.600 0.344 0.000 1.069 75 E CA 0.953 57.507 56.400 0.257 0.000 0.876 75 E CB 0.018 29.885 29.700 0.277 0.000 0.843 75 E HN 0.392 nan 8.360 nan 0.000 0.530 76 S N 1.457 117.342 115.700 0.309 0.000 2.399 76 S HA -0.099 4.371 4.470 0.000 0.000 0.231 76 S C 2.256 177.152 174.600 0.493 0.000 1.022 76 S CA 0.749 59.163 58.200 0.357 0.000 0.983 76 S CB -0.171 63.192 63.200 0.271 0.000 0.803 76 S HN 0.374 nan 8.310 nan 0.000 0.480 77 A N 1.531 124.565 122.820 0.357 0.000 2.015 77 A HA 0.257 4.577 4.320 0.000 0.000 0.219 77 A C 2.318 180.031 177.584 0.215 0.000 1.163 77 A CA 1.326 53.521 52.037 0.263 0.000 0.646 77 A CB -1.563 17.514 19.000 0.129 0.000 0.806 77 A HN 0.683 nan 8.150 nan 0.000 0.448 78 G N -1.792 107.145 108.800 0.229 0.000 2.484 78 G HA2 -0.002 3.958 3.960 0.000 0.000 0.218 78 G HA3 -0.002 3.958 3.960 0.000 0.000 0.218 78 G C 0.764 175.618 174.900 -0.076 0.000 1.130 78 G CA 0.519 45.652 45.100 0.055 0.000 0.784 78 G HN 0.443 nan 8.290 nan 0.000 0.543 79 F N 0.555 120.598 119.950 0.155 0.000 2.660 79 F HA 0.411 4.938 4.527 0.000 0.000 0.297 79 F C 1.781 177.612 175.800 0.052 0.000 1.132 79 F CA 0.022 58.110 58.000 0.147 0.000 1.372 79 F CB 0.611 39.762 39.000 0.252 0.000 1.003 79 F HN 0.206 nan 8.300 nan 0.000 0.524 80 G N -1.232 107.628 108.800 0.101 0.000 2.213 80 G HA2 -0.296 3.664 3.960 0.000 0.000 0.236 80 G HA3 -0.296 3.664 3.960 0.000 0.000 0.236 80 G C -0.081 174.714 174.900 -0.175 0.000 0.991 80 G CA -0.690 44.351 45.100 -0.098 0.000 0.629 80 G HN 0.269 nan 8.290 nan 0.000 0.517 81 W N 2.375 123.766 121.300 0.151 0.000 2.485 81 W HA 0.658 5.319 4.660 0.000 0.000 0.315 81 W C 0.319 176.947 176.519 0.182 0.000 1.304 81 W CA -0.374 57.073 57.345 0.170 0.000 1.345 81 W CB 0.676 30.256 29.460 0.200 0.000 1.368 81 W HN -0.047 nan 8.180 nan 0.000 0.497 82 E N 3.653 124.033 120.200 0.300 0.000 2.227 82 E HA 0.563 4.913 4.350 0.000 0.000 0.268 82 E C -0.824 175.979 176.600 0.338 0.000 0.907 82 E CA -0.998 55.520 56.400 0.196 0.000 0.786 82 E CB 2.249 31.985 29.700 0.061 0.000 1.191 82 E HN 0.321 nan 8.360 nan 0.000 0.411 83 F N -1.621 118.396 119.950 0.111 0.000 2.741 83 F HA 0.285 4.813 4.527 0.000 0.000 0.311 83 F C -0.348 175.493 175.800 0.068 0.000 1.149 83 F CA -1.316 56.738 58.000 0.090 0.000 0.930 83 F CB 0.589 39.651 39.000 0.103 0.000 1.312 83 F HN 0.093 nan 8.300 nan 0.000 0.450 84 D N 1.952 122.455 120.400 0.171 0.000 2.449 84 D HA -0.001 4.639 4.640 0.000 0.000 0.278 84 D C 1.086 177.421 176.300 0.059 0.000 1.417 84 D CA 0.643 54.692 54.000 0.080 0.000 1.192 84 D CB 0.210 41.087 40.800 0.129 0.000 1.129 84 D HN 0.675 nan 8.370 nan 0.000 0.539 85 R N 1.109 121.474 120.500 -0.225 0.000 2.316 85 R HA -0.047 4.293 4.340 0.000 0.000 0.202 85 R C 1.904 178.207 176.300 0.005 0.000 1.029 85 R CA 0.540 56.518 56.100 -0.203 0.000 1.018 85 R CB 0.253 30.326 30.300 -0.378 0.000 0.888 85 R HN 0.236 nan 8.270 nan 0.000 0.471 86 T N -1.124 113.438 114.554 0.014 0.000 2.867 86 T HA -0.099 4.251 4.350 0.000 0.000 0.268 86 T C 1.614 176.357 174.700 0.071 0.000 1.057 86 T CA 1.457 63.579 62.100 0.036 0.000 1.136 86 T CB 0.026 68.909 68.868 0.025 0.000 0.874 86 T HN 0.187 nan 8.240 nan 0.000 0.466 87 T N 1.259 115.877 114.554 0.108 0.000 3.055 87 T HA 0.152 4.503 4.350 0.000 0.000 0.265 87 T C 0.382 175.166 174.700 0.139 0.000 1.111 87 T CA 0.003 62.175 62.100 0.121 0.000 1.118 87 T CB -0.266 68.687 68.868 0.141 0.000 0.909 87 T HN 0.177 nan 8.240 nan 0.000 0.501 88 L N 3.608 124.944 121.223 0.188 0.000 2.342 88 L HA 0.448 4.789 4.340 0.000 0.000 0.285 88 L C -0.451 176.496 176.870 0.128 0.000 1.095 88 L CA -0.000 54.963 54.840 0.205 0.000 0.843 88 L CB 0.097 42.376 42.059 0.367 0.000 1.201 88 L HN -0.124 nan 8.230 nan 0.000 0.445 89 R N 4.270 124.829 120.500 0.098 0.000 2.795 89 R HA 0.756 5.097 4.340 0.000 0.000 0.275 89 R C -1.034 175.322 176.300 0.093 0.000 0.981 89 R CA -0.672 55.481 56.100 0.088 0.000 0.917 89 R CB 1.772 32.122 30.300 0.084 0.000 1.202 89 R HN 0.682 nan 8.270 nan 0.000 0.469 90 A N 1.165 124.052 122.820 0.113 0.000 2.290 90 A HA 0.409 4.729 4.320 0.000 0.000 0.310 90 A C -0.368 177.391 177.584 0.291 0.000 1.202 90 A CA -0.321 51.822 52.037 0.176 0.000 0.837 90 A CB 0.645 19.697 19.000 0.087 0.000 1.139 90 A HN 0.494 nan 8.150 nan 0.000 0.509 91 E N 2.758 123.143 120.200 0.308 0.000 2.261 91 E HA 0.094 4.444 4.350 0.000 0.000 0.239 91 E C 0.742 177.514 176.600 0.287 0.000 0.991 91 E CA -0.692 55.862 56.400 0.257 0.000 0.847 91 E CB -0.107 29.681 29.700 0.148 0.000 1.223 91 E HN 0.785 nan 8.360 nan 0.000 0.446 92 W N 4.702 126.071 121.300 0.115 0.000 2.321 92 W HA -0.268 4.392 4.660 0.000 0.000 0.306 92 W C 0.742 177.211 176.519 -0.083 0.000 1.217 92 W CA 1.540 58.830 57.345 -0.091 0.000 1.257 92 W CB 0.180 29.624 29.460 -0.028 0.000 1.145 92 W HN 0.418 nan 8.180 nan 0.000 0.509 93 K N 0.365 120.886 120.400 0.200 0.000 2.113 93 K HA -0.274 4.047 4.320 0.000 0.000 0.208 93 K C 2.148 178.716 176.600 -0.053 0.000 1.047 93 K CA 2.179 58.508 56.287 0.069 0.000 0.928 93 K CB -0.348 32.226 32.500 0.124 0.000 0.716 93 K HN 0.034 nan 8.250 nan 0.000 0.446 94 K N 0.938 121.322 120.400 -0.026 0.000 2.057 94 K HA -0.154 4.167 4.320 0.000 0.000 0.206 94 K C 2.071 178.595 176.600 -0.127 0.000 1.050 94 K CA 0.861 57.120 56.287 -0.047 0.000 0.935 94 K CB -0.117 32.382 32.500 -0.001 0.000 0.715 94 K HN 0.010 nan 8.250 nan 0.000 0.439 95 L N 1.827 122.920 121.223 -0.217 0.000 1.970 95 L HA -0.139 4.201 4.340 0.000 0.000 0.212 95 L C 2.032 178.668 176.870 -0.389 0.000 1.071 95 L CA 1.921 56.563 54.840 -0.329 0.000 0.751 95 L CB -0.572 41.135 42.059 -0.587 0.000 0.889 95 L HN 0.416 nan 8.230 nan 0.000 0.432 96 I N -2.489 117.743 120.570 -0.563 0.000 2.756 96 I HA -0.023 4.147 4.170 0.000 0.000 0.262 96 I C 2.238 178.217 176.117 -0.228 0.000 1.225 96 I CA 1.159 62.182 61.300 -0.460 0.000 1.472 96 I CB -0.877 36.786 38.000 -0.561 0.000 1.094 96 I HN 0.246 nan 8.210 nan 0.000 0.454 97 A N 2.002 124.717 122.820 -0.174 0.000 1.897 97 A HA -0.056 4.264 4.320 0.000 0.000 0.215 97 A C 2.437 179.975 177.584 -0.076 0.000 1.181 97 A CA 1.879 53.868 52.037 -0.081 0.000 0.620 97 A CB -0.960 18.008 19.000 -0.053 0.000 0.821 97 A HN 0.469 nan 8.150 nan 0.000 0.443 98 V N -2.186 117.667 119.914 -0.102 0.000 2.719 98 V HA -0.090 4.031 4.120 0.000 0.000 0.252 98 V C 2.112 178.140 176.094 -0.110 0.000 1.065 98 V CA 2.111 64.358 62.300 -0.088 0.000 1.086 98 V CB -0.666 31.109 31.823 -0.081 0.000 0.700 98 V HN 0.423 nan 8.190 nan 0.000 0.467 99 K N 0.966 121.273 120.400 -0.154 0.000 2.002 99 K HA -0.234 4.086 4.320 0.000 0.000 0.209 99 K C 1.873 178.354 176.600 -0.198 0.000 1.048 99 K CA 2.333 58.506 56.287 -0.190 0.000 0.930 99 K CB -0.702 31.654 32.500 -0.240 0.000 0.714 99 K HN 0.516 nan 8.250 nan 0.000 0.438 100 D N 0.837 121.147 120.400 -0.151 0.000 2.149 100 D HA -0.162 4.479 4.640 0.000 0.000 0.198 100 D C 1.891 178.183 176.300 -0.013 0.000 0.990 100 D CA 1.052 54.996 54.000 -0.095 0.000 0.839 100 D CB -0.075 40.794 40.800 0.116 0.000 0.948 100 D HN 0.328 nan 8.370 nan 0.000 0.460 101 E N 0.866 121.052 120.200 -0.023 0.000 2.031 101 E HA -0.109 4.241 4.350 0.000 0.000 0.193 101 E C 1.935 178.511 176.600 -0.041 0.000 0.994 101 E CA 1.592 57.985 56.400 -0.013 0.000 0.800 101 E CB -0.449 29.234 29.700 -0.029 0.000 0.752 101 E HN 0.142 nan 8.360 nan 0.000 0.447 102 A N 0.030 122.801 122.820 -0.082 0.000 1.883 102 A HA -0.160 4.160 4.320 0.000 0.000 0.217 102 A C 2.524 180.044 177.584 -0.107 0.000 1.186 102 A CA 1.885 53.864 52.037 -0.096 0.000 0.624 102 A CB -0.823 18.110 19.000 -0.113 0.000 0.822 102 A HN 0.209 nan 8.150 nan 0.000 0.444 103 V N -0.221 119.599 119.914 -0.157 0.000 2.515 103 V HA -0.185 3.936 4.120 0.000 0.000 0.250 103 V C 2.461 178.551 176.094 -0.008 0.000 1.058 103 V CA 1.707 63.905 62.300 -0.169 0.000 1.064 103 V CB -0.748 30.828 31.823 -0.413 0.000 0.675 103 V HN 0.623 nan 8.190 nan 0.000 0.461 104 L N 0.774 122.041 121.223 0.074 0.000 2.141 104 L HA -0.120 4.220 4.340 0.000 0.000 0.209 104 L C 1.882 178.778 176.870 0.042 0.000 1.094 104 L CA 2.033 56.977 54.840 0.174 0.000 0.763 104 L CB -0.863 41.297 42.059 0.169 0.000 0.908 104 L HN 0.389 nan 8.230 nan 0.000 0.437 105 N N -0.457 118.233 118.700 -0.017 0.000 2.250 105 N HA -0.088 4.653 4.740 0.000 0.000 0.181 105 N C 1.711 177.148 175.510 -0.121 0.000 1.017 105 N CA 1.017 54.030 53.050 -0.063 0.000 0.866 105 N CB -0.035 38.409 38.487 -0.071 0.000 0.985 105 N HN 0.267 nan 8.380 nan 0.000 0.429 106 I N 1.953 122.440 120.570 -0.137 0.000 2.264 106 I HA -0.251 3.919 4.170 0.000 0.000 0.248 106 I C 1.491 177.463 176.117 -0.243 0.000 1.111 106 I CA 1.470 62.617 61.300 -0.255 0.000 1.382 106 I CB -1.468 36.438 38.000 -0.156 0.000 1.060 106 I HN 0.201 nan 8.210 nan 0.000 0.418 107 N N 0.988 119.670 118.700 -0.031 0.000 2.120 107 N HA -0.168 4.572 4.740 0.000 0.000 0.188 107 N C 1.823 177.329 175.510 -0.007 0.000 1.024 107 N CA 1.007 54.090 53.050 0.055 0.000 0.852 107 N CB -0.087 38.442 38.487 0.069 0.000 1.003 107 N HN 0.391 nan 8.380 nan 0.000 0.424 108 K N 0.529 120.900 120.400 -0.048 0.000 2.097 108 K HA -0.059 4.261 4.320 0.000 0.000 0.205 108 K C 2.316 178.878 176.600 -0.064 0.000 1.050 108 K CA 1.380 57.637 56.287 -0.050 0.000 0.938 108 K CB -0.002 32.470 32.500 -0.048 0.000 0.718 108 K HN 0.248 nan 8.250 nan 0.000 0.442 109 S N -0.005 115.612 115.700 -0.137 0.000 2.387 109 S HA -0.128 4.342 4.470 0.000 0.000 0.226 109 S C 1.856 176.394 174.600 -0.104 0.000 1.026 109 S CA 0.654 58.753 58.200 -0.168 0.000 0.972 109 S CB -0.512 62.515 63.200 -0.289 0.000 0.814 109 S HN 0.191 nan 8.310 nan 0.000 0.477 110 Y N 2.285 122.570 120.300 -0.025 0.000 2.274 110 Y HA 0.053 4.603 4.550 0.000 0.000 0.290 110 Y C 2.758 178.726 175.900 0.114 0.000 1.145 110 Y CA 0.502 58.625 58.100 0.037 0.000 1.203 110 Y CB -0.687 37.782 38.460 0.015 0.000 0.984 110 Y HN 0.274 nan 8.280 nan 0.000 0.533 111 E N 0.933 121.212 120.200 0.132 0.000 2.021 111 E HA -0.256 4.094 4.350 0.000 0.000 0.200 111 E C 1.941 178.617 176.600 0.126 0.000 1.015 111 E CA 1.746 58.176 56.400 0.050 0.000 0.824 111 E CB -0.048 29.638 29.700 -0.025 0.000 0.762 111 E HN 0.477 nan 8.360 nan 0.000 0.454 112 E N 0.557 120.803 120.200 0.077 0.000 2.086 112 E HA -0.209 4.142 4.350 0.000 0.000 0.200 112 E C 2.028 178.694 176.600 0.110 0.000 1.012 112 E CA 1.608 58.051 56.400 0.071 0.000 0.812 112 E CB -0.376 29.337 29.700 0.023 0.000 0.743 112 E HN 0.279 nan 8.360 nan 0.000 0.453 113 M N -0.511 119.163 119.600 0.124 0.000 2.108 113 M HA -0.245 4.235 4.480 0.000 0.000 0.257 113 M C 1.505 177.851 176.300 0.076 0.000 1.071 113 M CA 1.741 57.103 55.300 0.103 0.000 1.093 113 M CB -0.207 32.441 32.600 0.081 0.000 1.345 113 M HN 0.143 nan 8.290 nan 0.000 0.403 114 F N -0.383 119.624 119.950 0.096 0.000 2.206 114 F HA -0.036 4.491 4.527 0.000 0.000 0.298 114 F C 2.418 178.247 175.800 0.049 0.000 1.090 114 F CA 1.139 59.180 58.000 0.068 0.000 1.323 114 F CB -0.404 38.605 39.000 0.015 0.000 1.028 114 F HN 0.106 nan 8.300 nan 0.000 0.492 115 R N 0.158 120.782 120.500 0.206 0.000 2.325 115 R HA -0.015 4.325 4.340 0.000 0.000 0.214 115 R C -0.128 176.223 176.300 0.084 0.000 0.961 115 R CA 0.546 56.719 56.100 0.123 0.000 1.086 115 R CB -0.223 30.133 30.300 0.093 0.000 1.037 115 R HN 0.243 nan 8.270 nan 0.000 0.493 116 D N -1.327 119.123 120.400 0.084 0.000 2.480 116 D HA 0.076 4.716 4.640 0.000 0.000 0.276 116 D C -0.709 175.625 176.300 0.056 0.000 1.294 116 D CA 0.206 54.245 54.000 0.065 0.000 0.829 116 D CB 1.444 42.286 40.800 0.069 0.000 1.242 116 D HN -0.089 nan 8.370 nan 0.000 0.513 117 T N 1.526 116.104 114.554 0.040 0.000 2.848 117 T HA 0.296 4.646 4.350 0.000 0.000 0.285 117 T C -0.342 174.331 174.700 -0.044 0.000 0.995 117 T CA -0.750 61.335 62.100 -0.024 0.000 0.970 117 T CB 2.399 71.232 68.868 -0.058 0.000 0.976 117 T HN -0.076 nan 8.240 nan 0.000 0.441 118 E N 1.401 121.563 120.200 -0.064 0.000 2.436 118 E HA 0.416 4.767 4.350 0.000 0.000 0.262 118 E C 1.432 177.994 176.600 -0.064 0.000 1.063 118 E CA 0.355 56.726 56.400 -0.048 0.000 0.944 118 E CB -0.269 29.396 29.700 -0.058 0.000 0.950 118 E HN 0.821 nan 8.360 nan 0.000 0.444 119 G N 1.826 110.627 108.800 0.001 0.000 2.779 119 G HA2 -0.338 3.622 3.960 0.000 0.000 0.230 119 G HA3 -0.338 3.622 3.960 0.000 0.000 0.230 119 G C 0.135 175.065 174.900 0.051 0.000 1.243 119 G CA 0.212 45.330 45.100 0.029 0.000 0.769 119 G HN 0.555 nan 8.290 nan 0.000 0.516 120 L N 2.721 123.920 121.223 -0.041 0.000 2.500 120 L HA 0.400 4.740 4.340 0.000 0.000 0.272 120 L C 0.477 177.424 176.870 0.129 0.000 1.149 120 L CA 0.367 55.181 54.840 -0.044 0.000 0.897 120 L CB 0.268 42.148 42.059 -0.299 0.000 1.178 120 L HN 0.664 nan 8.230 nan 0.000 0.473 121 E N 4.148 124.460 120.200 0.187 0.000 2.331 121 E HA 0.354 4.704 4.350 0.000 0.000 0.275 121 E C -1.468 175.068 176.600 -0.108 0.000 0.895 121 E CA -0.817 55.650 56.400 0.111 0.000 0.753 121 E CB 2.403 32.055 29.700 -0.080 0.000 1.216 121 E HN 0.264 nan 8.360 nan 0.000 0.434 122 F N 2.353 122.018 119.950 -0.476 0.000 2.444 122 F HA 0.528 5.056 4.527 0.000 0.000 0.342 122 F C -1.633 173.717 175.800 -0.751 0.000 1.121 122 F CA -1.061 56.530 58.000 -0.681 0.000 0.997 122 F CB 0.785 39.178 39.000 -1.011 0.000 1.130 122 F HN 0.406 nan 8.300 nan 0.000 0.454 123 F N 6.962 126.455 119.950 -0.760 0.000 2.426 123 F HA 0.430 4.957 4.527 0.000 0.000 0.348 123 F C -0.560 174.682 175.800 -0.930 0.000 1.124 123 F CA -0.980 56.659 58.000 -0.602 0.000 1.008 123 F CB 1.376 40.172 39.000 -0.340 0.000 1.139 123 F HN 0.277 nan 8.300 nan 0.000 0.452 124 L N 3.697 124.652 121.223 -0.447 0.000 2.315 124 L HA 0.719 5.059 4.340 0.000 0.000 0.283 124 L C 0.259 177.026 176.870 -0.170 0.000 1.089 124 L CA 0.759 55.412 54.840 -0.312 0.000 0.833 124 L CB -0.142 41.906 42.059 -0.019 0.000 1.170 124 L HN 0.805 nan 8.230 nan 0.000 0.442 125 G N 3.004 111.667 108.800 -0.229 0.000 2.333 125 G HA2 0.091 4.052 3.960 0.000 0.000 0.288 125 G HA3 0.091 4.052 3.960 0.000 0.000 0.288 125 G C -2.282 172.493 174.900 -0.208 0.000 1.286 125 G CA -0.873 44.159 45.100 -0.113 0.000 0.865 125 G HN 0.351 nan 8.290 nan 0.000 0.506 126 W N 1.001 122.205 121.300 -0.161 0.000 2.318 126 W HA 0.588 5.248 4.660 0.000 0.000 0.315 126 W C 0.660 177.105 176.519 -0.123 0.000 1.033 126 W CA -0.052 57.196 57.345 -0.161 0.000 1.275 126 W CB 1.871 31.223 29.460 -0.181 0.000 1.250 126 W HN 0.848 nan 8.180 nan 0.000 0.421 127 G N 2.112 110.954 108.800 0.070 0.000 2.364 127 G HA2 0.464 4.424 3.960 0.000 0.000 0.267 127 G HA3 0.464 4.424 3.960 0.000 0.000 0.267 127 G C -0.498 174.431 174.900 0.049 0.000 1.233 127 G CA -0.281 44.834 45.100 0.025 0.000 0.885 127 G HN 0.330 nan 8.290 nan 0.000 0.490 128 S N 1.205 116.918 115.700 0.021 0.000 2.536 128 S HA 0.424 4.895 4.470 0.000 0.000 0.287 128 S C -0.796 173.804 174.600 0.001 0.000 1.101 128 S CA -0.759 57.449 58.200 0.014 0.000 0.950 128 S CB 1.971 65.172 63.200 0.002 0.000 1.056 128 S HN 0.443 nan 8.310 nan 0.000 0.481 129 L N 2.737 123.961 121.223 0.002 0.000 2.315 129 L HA 0.339 4.679 4.340 0.000 0.000 0.283 129 L C 1.310 178.176 176.870 -0.007 0.000 1.089 129 L CA 0.496 55.336 54.840 -0.001 0.000 0.833 129 L CB 0.321 42.381 42.059 0.000 0.000 1.170 129 L HN 0.936 nan 8.230 nan 0.000 0.442 130 E N 1.444 121.639 120.200 -0.010 0.000 2.216 130 E HA 0.048 4.398 4.350 0.000 0.000 0.192 130 E C 0.259 176.853 176.600 -0.011 0.000 0.973 130 E CA 0.598 56.990 56.400 -0.012 0.000 0.851 130 E CB 0.607 30.298 29.700 -0.015 0.000 0.804 130 E HN 0.736 nan 8.360 nan 0.000 0.477 131 S N -1.441 114.254 115.700 -0.008 0.000 2.790 131 S HA 0.206 4.676 4.470 0.000 0.000 0.292 131 S C 0.530 175.124 174.600 -0.009 0.000 1.197 131 S CA -0.715 57.480 58.200 -0.009 0.000 0.851 131 S CB 1.201 64.396 63.200 -0.008 0.000 1.217 131 S HN 0.008 nan 8.310 nan 0.000 0.526 132 K N 1.107 121.499 120.400 -0.013 0.000 2.218 132 K HA -0.141 4.179 4.320 0.000 0.000 0.205 132 K C 0.284 176.878 176.600 -0.010 0.000 1.046 132 K CA 2.006 58.282 56.287 -0.018 0.000 0.933 132 K CB -0.736 31.750 32.500 -0.022 0.000 0.728 132 K HN 0.809 nan 8.250 nan 0.000 0.454 133 N N -1.106 117.595 118.700 0.001 0.000 2.609 133 N HA 0.081 4.821 4.740 0.000 0.000 0.251 133 N C -1.408 174.116 175.510 0.023 0.000 1.526 133 N CA -0.634 52.427 53.050 0.018 0.000 0.931 133 N CB 0.897 39.400 38.487 0.026 0.000 1.460 133 N HN -0.111 nan 8.380 nan 0.000 0.526 134 V N 0.449 120.370 119.914 0.012 0.000 2.709 134 V HA 0.736 4.856 4.120 0.000 0.000 0.308 134 V C -1.254 174.840 176.094 0.000 0.000 1.062 134 V CA -0.696 61.611 62.300 0.010 0.000 0.901 134 V CB 2.076 33.899 31.823 0.000 0.000 1.003 134 V HN 0.156 nan 8.190 nan 0.000 0.425 135 V N 6.473 126.383 119.914 -0.007 0.000 2.577 135 V HA 0.627 4.747 4.120 0.000 0.000 0.303 135 V C -0.475 175.589 176.094 -0.049 0.000 1.042 135 V CA -0.559 61.728 62.300 -0.020 0.000 0.872 135 V CB 2.066 33.882 31.823 -0.011 0.000 0.998 135 V HN 1.044 nan 8.190 nan 0.000 0.423 136 N N 4.633 123.306 118.700 -0.045 0.000 2.472 136 N HA 0.486 5.226 4.740 0.000 0.000 0.277 136 N C -0.781 174.690 175.510 -0.066 0.000 1.081 136 N CA -0.659 52.355 53.050 -0.060 0.000 0.973 136 N CB 1.976 40.439 38.487 -0.039 0.000 1.105 136 N HN 0.527 nan 8.380 nan 0.000 0.470 137 V N 2.774 122.624 119.914 -0.107 0.000 2.338 137 V HA 0.146 4.266 4.120 0.000 0.000 0.255 137 V C 0.774 176.846 176.094 -0.036 0.000 1.082 137 V CA -0.185 62.065 62.300 -0.084 0.000 0.951 137 V CB -0.389 31.346 31.823 -0.145 0.000 1.102 137 V HN 0.639 nan 8.190 nan 0.000 0.489 138 R N 3.087 123.592 120.500 0.008 0.000 2.531 138 R HA 0.282 4.622 4.340 0.000 0.000 0.260 138 R C 1.350 177.682 176.300 0.053 0.000 1.144 138 R CA -0.270 55.838 56.100 0.013 0.000 1.171 138 R CB 0.780 31.078 30.300 -0.003 0.000 1.199 138 R HN 0.816 nan 8.270 nan 0.000 0.594 139 E N -0.533 119.685 120.200 0.029 0.000 2.472 139 E HA 0.080 4.430 4.350 0.000 0.000 0.196 139 E C -0.216 176.416 176.600 0.054 0.000 1.033 139 E CA -0.119 56.317 56.400 0.060 0.000 0.886 139 E CB 0.465 30.183 29.700 0.031 0.000 0.944 139 E HN 0.407 nan 8.360 nan 0.000 0.492 140 S N -1.279 114.365 115.700 -0.094 0.000 2.752 140 S HA 0.644 5.114 4.470 0.000 0.000 0.284 140 S C 0.866 174.959 174.600 -0.844 0.000 1.189 140 S CA -0.375 57.568 58.200 -0.429 0.000 0.835 140 S CB 0.886 63.920 63.200 -0.276 0.000 1.192 140 S HN 0.064 nan 8.310 nan 0.000 0.506 141 A N 0.819 122.820 122.820 -1.366 0.000 1.877 141 A HA 0.087 4.407 4.320 0.000 0.000 0.216 141 A C 0.925 178.199 177.584 -0.516 0.000 1.186 141 A CA 1.836 53.167 52.037 -1.176 0.000 0.620 141 A CB -1.542 16.726 19.000 -1.219 0.000 0.822 141 A HN 0.951 nan 8.150 nan 0.000 0.443 142 D N 0.251 120.416 120.400 -0.392 0.000 2.451 142 D HA 0.090 4.730 4.640 0.000 0.000 0.254 142 D C -1.537 174.662 176.300 -0.169 0.000 1.204 142 D CA -1.437 52.428 54.000 -0.225 0.000 0.896 142 D CB 0.801 41.497 40.800 -0.174 0.000 1.136 142 D HN 0.155 nan 8.370 nan 0.000 0.499 143 P HA -0.024 nan 4.420 nan 0.000 0.242 143 P C 0.549 177.808 177.300 -0.068 0.000 1.197 143 P CA 0.341 63.389 63.100 -0.087 0.000 0.765 143 P CB 0.271 31.930 31.700 -0.068 0.000 0.936 144 A N 0.515 123.291 122.820 -0.073 0.000 1.975 144 A HA 0.044 4.365 4.320 0.000 0.000 0.215 144 A C 1.435 178.986 177.584 -0.055 0.000 1.170 144 A CA 0.553 52.556 52.037 -0.056 0.000 0.656 144 A CB -1.168 17.800 19.000 -0.053 0.000 0.821 144 A HN 0.378 nan 8.150 nan 0.000 0.449 145 S N 0.099 115.756 115.700 -0.071 0.000 2.563 145 S HA 0.369 4.839 4.470 0.000 0.000 0.269 145 S C 0.529 175.103 174.600 -0.043 0.000 1.364 145 S CA -0.300 57.863 58.200 -0.061 0.000 1.010 145 S CB 0.266 63.414 63.200 -0.088 0.000 0.877 145 S HN 1.333 nan 8.310 nan 0.000 0.549 146 A N 2.053 124.856 122.820 -0.028 0.000 2.548 146 A HA 0.404 4.724 4.320 0.000 0.000 0.247 146 A C 0.326 177.900 177.584 -0.017 0.000 1.067 146 A CA -0.577 51.450 52.037 -0.018 0.000 0.757 146 A CB -0.515 18.480 19.000 -0.008 0.000 0.996 146 A HN 0.907 nan 8.150 nan 0.000 0.504 147 V N 3.746 123.647 119.914 -0.021 0.000 2.585 147 V HA 0.088 4.208 4.120 0.000 0.000 0.296 147 V C 1.198 177.279 176.094 -0.020 0.000 1.035 147 V CA 1.075 63.361 62.300 -0.024 0.000 1.084 147 V CB 0.849 32.654 31.823 -0.029 0.000 0.953 147 V HN 1.006 nan 8.190 nan 0.000 0.483 148 K N 2.382 122.767 120.400 -0.025 0.000 2.592 148 K HA 0.666 4.986 4.320 0.000 0.000 0.203 148 K C -0.288 176.284 176.600 -0.047 0.000 1.070 148 K CA -0.473 55.803 56.287 -0.019 0.000 1.062 148 K CB 1.018 33.519 32.500 0.002 0.000 0.814 148 K HN 0.554 nan 8.250 nan 0.000 0.502 149 E N 0.716 120.869 120.200 -0.079 0.000 2.720 149 E HA 0.207 4.557 4.350 0.000 0.000 0.298 149 E C -1.912 174.606 176.600 -0.137 0.000 1.150 149 E CA -0.290 56.025 56.400 -0.142 0.000 0.921 149 E CB 1.172 30.704 29.700 -0.279 0.000 1.164 149 E HN 0.276 nan 8.360 nan 0.000 0.447 150 R N 2.879 123.307 120.500 -0.120 0.000 2.409 150 R HA 0.458 4.798 4.340 0.000 0.000 0.313 150 R C -0.930 175.314 176.300 -0.094 0.000 0.953 150 R CA -0.925 55.119 56.100 -0.093 0.000 0.849 150 R CB 0.852 31.122 30.300 -0.051 0.000 1.171 150 R HN 0.219 nan 8.270 nan 0.000 0.458 151 L N 3.459 124.623 121.223 -0.097 0.000 2.260 151 L HA 0.337 4.677 4.340 0.000 0.000 0.289 151 L C 0.520 177.425 176.870 0.060 0.000 1.057 151 L CA -0.022 54.818 54.840 0.000 0.000 0.811 151 L CB 0.762 42.804 42.059 -0.028 0.000 1.184 151 L HN 0.550 nan 8.230 nan 0.000 0.429 152 E N 1.567 121.815 120.200 0.079 0.000 2.331 152 E HA 0.502 4.852 4.350 0.000 0.000 0.272 152 E C -0.161 176.521 176.600 0.136 0.000 1.036 152 E CA -0.062 56.381 56.400 0.072 0.000 0.864 152 E CB 1.512 31.231 29.700 0.032 0.000 1.035 152 E HN 0.559 nan 8.360 nan 0.000 0.408 153 T N 0.780 115.404 114.554 0.118 0.000 2.786 153 T HA 0.105 4.455 4.350 0.000 0.000 0.316 153 T C -0.352 174.418 174.700 0.118 0.000 1.503 153 T CA -0.620 61.578 62.100 0.164 0.000 1.019 153 T CB 1.317 70.310 68.868 0.209 0.000 1.415 153 T HN 0.377 nan 8.240 nan 0.000 0.496 154 E N 1.122 121.406 120.200 0.140 0.000 2.364 154 E HA 0.215 4.565 4.350 0.000 0.000 0.196 154 E C -0.126 176.545 176.600 0.119 0.000 0.990 154 E CA 0.425 56.891 56.400 0.109 0.000 0.886 154 E CB 0.343 30.109 29.700 0.109 0.000 0.866 154 E HN 0.535 nan 8.360 nan 0.000 0.493 155 N N -0.200 118.605 118.700 0.175 0.000 2.284 155 N HA 0.486 5.227 4.740 0.000 0.000 0.289 155 N C -1.016 174.609 175.510 0.191 0.000 1.179 155 N CA -0.487 52.682 53.050 0.199 0.000 0.774 155 N CB 2.511 41.184 38.487 0.310 0.000 1.548 155 N HN -0.174 nan 8.380 nan 0.000 0.473 156 I N 1.321 121.989 120.570 0.163 0.000 2.533 156 I HA 0.381 4.551 4.170 0.000 0.000 0.290 156 I C -1.450 174.783 176.117 0.193 0.000 1.056 156 I CA -0.880 60.504 61.300 0.140 0.000 1.057 156 I CB 1.939 39.980 38.000 0.068 0.000 1.240 156 I HN 0.245 nan 8.210 nan 0.000 0.423 157 L N 7.367 128.703 121.223 0.188 0.000 2.319 157 L HA 0.512 4.853 4.340 0.000 0.000 0.281 157 L C -1.217 175.731 176.870 0.130 0.000 1.005 157 L CA -0.485 54.474 54.840 0.199 0.000 0.828 157 L CB 1.258 43.437 42.059 0.201 0.000 1.227 157 L HN 0.360 nan 8.230 nan 0.000 0.415 158 L N 6.102 127.396 121.223 0.117 0.000 2.268 158 L HA 0.584 4.924 4.340 0.000 0.000 0.289 158 L C 0.587 177.511 176.870 0.090 0.000 1.064 158 L CA 0.085 54.977 54.840 0.086 0.000 0.824 158 L CB 0.712 42.814 42.059 0.071 0.000 1.202 158 L HN 0.799 nan 8.230 nan 0.000 0.433 159 A N 1.596 124.465 122.820 0.082 0.000 3.214 159 A HA 0.378 4.698 4.320 0.000 0.000 0.304 159 A C 1.045 178.673 177.584 0.073 0.000 0.969 159 A CA 0.046 52.132 52.037 0.082 0.000 0.986 159 A CB -0.016 19.035 19.000 0.084 0.000 1.073 159 A HN 0.613 nan 8.150 nan 0.000 0.487 160 S N -0.790 114.955 115.700 0.075 0.000 2.562 160 S HA 0.408 4.878 4.470 0.000 0.000 0.221 160 S C 1.377 176.044 174.600 0.111 0.000 0.975 160 S CA 0.813 59.059 58.200 0.076 0.000 0.918 160 S CB -0.371 62.873 63.200 0.073 0.000 0.772 160 S HN 2.160 nan 8.310 nan 0.000 0.531 161 G N 1.410 110.278 108.800 0.114 0.000 2.527 161 G HA2 -0.140 3.821 3.960 0.000 0.000 0.268 161 G HA3 -0.140 3.821 3.960 0.000 0.000 0.268 161 G C -0.212 174.788 174.900 0.166 0.000 1.175 161 G CA 0.145 45.327 45.100 0.138 0.000 0.962 161 G HN 1.841 nan 8.290 nan 0.000 0.560 162 S N -1.901 113.930 115.700 0.217 0.000 2.537 162 S HA 0.612 5.083 4.470 0.000 0.000 0.271 162 S C -1.378 173.427 174.600 0.341 0.000 1.148 162 S CA -0.257 58.089 58.200 0.243 0.000 0.868 162 S CB 2.101 65.402 63.200 0.168 0.000 1.115 162 S HN 1.320 nan 8.310 nan 0.000 0.461 163 W N 1.912 123.284 121.300 0.119 0.000 2.647 163 W HA 0.642 5.303 4.660 0.000 0.000 0.353 163 W C -2.515 174.083 176.519 0.132 0.000 1.080 163 W CA -1.974 55.450 57.345 0.131 0.000 1.208 163 W CB 0.865 30.412 29.460 0.144 0.000 1.396 163 W HN 0.479 nan 8.180 nan 0.000 0.573 164 P HA -0.110 nan 4.420 nan 0.000 0.265 164 P C -0.820 176.583 177.300 0.171 0.000 1.187 164 P CA 0.581 63.652 63.100 -0.048 0.000 0.766 164 P CB 0.515 32.056 31.700 -0.265 0.000 0.820 165 H N 3.663 122.771 119.070 0.063 0.000 2.504 165 H HA 0.404 4.960 4.556 0.000 0.000 0.322 165 H C -0.434 174.931 175.328 0.062 0.000 1.055 165 H CA -0.519 55.584 56.048 0.091 0.000 1.231 165 H CB 0.425 30.238 29.762 0.085 0.000 1.417 165 H HN 0.159 nan 8.280 nan 0.000 0.472 166 M N 6.885 126.238 119.600 -0.412 0.000 2.300 166 M HA 0.312 4.793 4.480 0.000 0.000 0.348 166 M C -2.309 173.696 176.300 -0.492 0.000 1.151 166 M CA -2.529 52.568 55.300 -0.338 0.000 1.046 166 M CB 1.180 33.714 32.600 -0.112 0.000 1.647 166 M HN 0.552 nan 8.290 nan 0.000 0.451 167 P HA 0.096 nan 4.420 nan 0.000 0.272 167 P C -0.748 176.509 177.300 -0.073 0.000 1.240 167 P CA -0.261 62.747 63.100 -0.152 0.000 0.791 167 P CB 0.727 32.384 31.700 -0.072 0.000 0.978 168 N N 1.276 119.966 118.700 -0.015 0.000 2.645 168 N HA 0.315 5.055 4.740 0.000 0.000 0.233 168 N C -0.835 174.676 175.510 0.002 0.000 1.058 168 N CA -0.308 52.743 53.050 0.002 0.000 0.942 168 N CB -0.078 38.425 38.487 0.026 0.000 1.210 168 N HN 0.331 nan 8.380 nan 0.000 0.512 169 I N 2.999 123.565 120.570 -0.008 0.000 2.545 169 I HA 0.317 4.487 4.170 0.000 0.000 0.292 169 I C -2.173 173.943 176.117 -0.002 0.000 1.040 169 I CA -2.518 58.778 61.300 -0.006 0.000 1.068 169 I CB 2.587 40.577 38.000 -0.016 0.000 1.251 169 I HN 0.246 nan 8.210 nan 0.000 0.424 170 P HA -0.007 nan 4.420 nan 0.000 0.242 170 P C 0.551 177.873 177.300 0.037 0.000 1.116 170 P CA 0.999 64.109 63.100 0.016 0.000 0.954 170 P CB -0.201 31.509 31.700 0.016 0.000 0.908 171 G N 3.365 112.187 108.800 0.037 0.000 2.134 171 G HA2 -0.306 3.654 3.960 0.000 0.000 0.209 171 G HA3 -0.306 3.654 3.960 0.000 0.000 0.209 171 G C 0.757 175.678 174.900 0.034 0.000 0.993 171 G CA -0.047 45.116 45.100 0.105 0.000 0.669 171 G HN 0.507 nan 8.290 nan 0.000 0.519 172 I N 1.149 121.702 120.570 -0.029 0.000 2.530 172 I HA -0.035 4.136 4.170 0.000 0.000 0.257 172 I C 2.207 178.273 176.117 -0.085 0.000 1.179 172 I CA 2.334 63.608 61.300 -0.043 0.000 1.440 172 I CB -0.099 37.876 38.000 -0.043 0.000 1.087 172 I HN 0.456 nan 8.210 nan 0.000 0.440 173 E N -0.754 119.330 120.200 -0.193 0.000 2.160 173 E HA -0.243 4.107 4.350 0.000 0.000 0.195 173 E C 1.532 177.985 176.600 -0.246 0.000 0.991 173 E CA 1.702 57.941 56.400 -0.268 0.000 0.810 173 E CB -0.458 28.990 29.700 -0.420 0.000 0.742 173 E HN 0.694 nan 8.360 nan 0.000 0.466 174 H N -1.345 117.717 119.070 -0.014 0.000 2.539 174 H HA 0.230 4.786 4.556 0.000 0.000 0.267 174 H C -0.167 175.141 175.328 -0.032 0.000 0.982 174 H CA -0.460 55.577 56.048 -0.018 0.000 1.146 174 H CB 0.085 29.836 29.762 -0.019 0.000 1.382 174 H HN 0.071 nan 8.280 nan 0.000 0.577 175 C N 1.321 120.643 119.300 0.038 0.000 2.351 175 C HA 0.518 4.978 4.460 0.000 0.000 0.359 175 C C 1.175 176.144 174.990 -0.035 0.000 1.193 175 C CA -1.066 57.944 59.018 -0.014 0.000 2.270 175 C CB 0.560 28.276 27.740 -0.040 0.000 2.369 175 C HN 0.513 nan 8.230 nan 0.000 0.553 176 I N 0.522 121.051 120.570 -0.068 0.000 3.861 176 I HA 0.884 5.055 4.170 0.000 0.000 0.262 176 I C 0.190 176.221 176.117 -0.143 0.000 1.269 176 I CA -0.281 60.965 61.300 -0.091 0.000 1.140 176 I CB 1.392 39.339 38.000 -0.088 0.000 1.424 176 I HN 0.715 nan 8.210 nan 0.000 0.527 177 S N -0.766 114.808 115.700 -0.209 0.000 2.851 177 S HA 0.426 4.896 4.470 0.000 0.000 0.313 177 S C 0.622 174.999 174.600 -0.371 0.000 1.163 177 S CA -0.027 58.012 58.200 -0.268 0.000 0.850 177 S CB 0.891 63.905 63.200 -0.310 0.000 1.245 177 S HN 0.717 nan 8.310 nan 0.000 0.558 178 S N 2.085 117.559 115.700 -0.377 0.000 2.353 178 S HA -0.177 4.294 4.470 0.000 0.000 0.222 178 S C 1.627 176.050 174.600 -0.294 0.000 1.035 178 S CA 1.629 59.560 58.200 -0.447 0.000 1.025 178 S CB -1.157 61.953 63.200 -0.148 0.000 0.902 178 S HN 0.697 nan 8.310 nan 0.000 0.440 179 N N 2.208 120.775 118.700 -0.221 0.000 2.037 179 N HA -0.155 4.585 4.740 0.000 0.000 0.196 179 N C 1.695 177.133 175.510 -0.119 0.000 1.034 179 N CA 1.806 54.734 53.050 -0.204 0.000 0.861 179 N CB -0.554 37.452 38.487 -0.803 0.000 1.039 179 N HN 0.661 nan 8.380 nan 0.000 0.427 180 E N 0.525 120.552 120.200 -0.288 0.000 2.274 180 E HA 0.032 4.382 4.350 0.000 0.000 0.194 180 E C 1.738 178.392 176.600 0.089 0.000 0.996 180 E CA 0.725 57.133 56.400 0.014 0.000 0.840 180 E CB -0.277 29.405 29.700 -0.029 0.000 0.772 180 E HN 0.339 nan 8.360 nan 0.000 0.491 181 A N 1.124 123.854 122.820 -0.150 0.000 2.019 181 A HA -0.105 4.215 4.320 0.000 0.000 0.219 181 A C 1.691 179.218 177.584 -0.096 0.000 1.164 181 A CA 0.815 52.725 52.037 -0.211 0.000 0.644 181 A CB -0.769 17.726 19.000 -0.842 0.000 0.805 181 A HN 0.152 nan 8.150 nan 0.000 0.449 182 F N -2.556 117.355 119.950 -0.066 0.000 2.748 182 F HA 0.062 4.590 4.527 0.000 0.000 0.299 182 F C 0.974 176.450 175.800 -0.540 0.000 1.154 182 F CA 0.730 58.561 58.000 -0.282 0.000 1.446 182 F CB -0.076 38.648 39.000 -0.460 0.000 1.112 182 F HN 0.298 nan 8.300 nan 0.000 0.584 183 Y N -0.813 119.692 120.300 0.342 0.000 2.641 183 Y HA 0.318 4.868 4.550 0.000 0.000 0.248 183 Y C 0.496 176.566 175.900 0.283 0.000 1.170 183 Y CA -1.086 57.188 58.100 0.291 0.000 1.201 183 Y CB -0.276 38.380 38.460 0.326 0.000 1.232 183 Y HN -0.254 nan 8.280 nan 0.000 0.537 184 L N 4.218 125.689 121.223 0.412 0.000 2.601 184 L HA -0.035 4.306 4.340 0.000 0.000 0.277 184 L C -0.907 176.242 176.870 0.465 0.000 1.219 184 L CA -0.821 54.262 54.840 0.405 0.000 0.915 184 L CB 0.548 42.862 42.059 0.425 0.000 1.160 184 L HN 0.033 nan 8.230 nan 0.000 0.494 185 P HA -0.150 nan 4.420 nan 0.000 0.219 185 P C -0.095 177.393 177.300 0.313 0.000 1.146 185 P CA 1.357 64.614 63.100 0.261 0.000 0.808 185 P CB 0.240 32.034 31.700 0.157 0.000 0.779 186 E N -1.613 118.711 120.200 0.207 0.000 2.401 186 E HA 0.373 4.724 4.350 0.000 0.000 0.280 186 E C -3.267 172.979 176.600 -0.591 0.000 1.039 186 E CA -2.491 53.860 56.400 -0.082 0.000 0.814 186 E CB 0.962 30.644 29.700 -0.031 0.000 1.275 186 E HN -0.180 nan 8.360 nan 0.000 0.448 187 P HA 0.198 nan 4.420 nan 0.000 0.276 187 P C -2.244 174.756 177.300 -0.499 0.000 1.235 187 P CA -1.040 61.452 63.100 -1.013 0.000 0.772 187 P CB 0.114 31.319 31.700 -0.824 0.000 0.871 188 P HA 0.146 nan 4.420 nan 0.000 0.269 188 P C 0.782 177.929 177.300 -0.255 0.000 1.209 188 P CA -0.085 62.795 63.100 -0.368 0.000 0.776 188 P CB 1.386 32.773 31.700 -0.520 0.000 0.876 189 R N 1.556 121.961 120.500 -0.158 0.000 2.055 189 R HA 0.051 4.391 4.340 0.000 0.000 0.221 189 R C 0.340 176.604 176.300 -0.059 0.000 1.154 189 R CA 0.687 56.731 56.100 -0.092 0.000 0.975 189 R CB 0.178 30.441 30.300 -0.062 0.000 0.869 189 R HN 0.384 nan 8.270 nan 0.000 0.437 190 R N 0.450 120.933 120.500 -0.028 0.000 2.229 190 R HA 0.320 4.660 4.340 0.000 0.000 0.332 190 R C -1.273 175.069 176.300 0.070 0.000 0.989 190 R CA -0.337 55.812 56.100 0.081 0.000 0.842 190 R CB 2.122 32.502 30.300 0.132 0.000 1.119 190 R HN -0.008 nan 8.270 nan 0.000 0.456 191 V N 3.262 123.171 119.914 -0.008 0.000 2.769 191 V HA 0.550 4.670 4.120 0.000 0.000 0.312 191 V C -0.952 174.914 176.094 -0.380 0.000 1.061 191 V CA -1.096 61.063 62.300 -0.235 0.000 0.931 191 V CB 2.000 33.587 31.823 -0.393 0.000 1.010 191 V HN 0.523 nan 8.190 nan 0.000 0.433 192 L N 3.662 124.517 121.223 -0.613 0.000 2.377 192 L HA 0.645 4.985 4.340 0.000 0.000 0.270 192 L C 0.288 176.965 176.870 -0.323 0.000 0.991 192 L CA 0.066 54.486 54.840 -0.700 0.000 0.851 192 L CB 1.771 43.029 42.059 -1.334 0.000 1.218 192 L HN 0.886 nan 8.230 nan 0.000 0.420 193 T N 2.155 116.622 114.554 -0.145 0.000 2.747 193 T HA 0.518 4.868 4.350 0.000 0.000 0.301 193 T C 0.071 174.744 174.700 -0.044 0.000 0.952 193 T CA -0.629 61.438 62.100 -0.054 0.000 0.983 193 T CB 0.515 69.407 68.868 0.041 0.000 0.930 193 T HN 0.299 nan 8.240 nan 0.000 0.494 194 V N 3.715 123.598 119.914 -0.051 0.000 2.488 194 V HA 0.751 4.871 4.120 0.000 0.000 0.277 194 V C 1.074 177.180 176.094 0.020 0.000 1.046 194 V CA 0.415 62.717 62.300 0.004 0.000 0.986 194 V CB 0.100 31.916 31.823 -0.011 0.000 0.989 194 V HN 1.451 nan 8.190 nan 0.000 0.475 195 G N 3.179 112.020 108.800 0.069 0.000 2.334 195 G HA2 0.430 4.390 3.960 0.000 0.000 0.566 195 G HA3 0.430 4.390 3.960 0.000 0.000 0.566 195 G C -0.347 174.479 174.900 -0.123 0.000 1.413 195 G CA -0.445 44.667 45.100 0.019 0.000 0.993 195 G HN 1.155 nan 8.290 nan 0.000 0.642 196 G N -0.427 108.088 108.800 -0.475 0.000 4.519 196 G HA2 0.884 4.844 3.960 0.000 0.000 0.336 196 G HA3 0.884 4.844 3.960 0.000 0.000 0.336 196 G C 0.318 174.882 174.900 -0.559 0.000 1.491 196 G CA 0.709 45.246 45.100 -0.939 0.000 1.008 196 G HN 2.233 nan 8.290 nan 0.000 0.515 197 G N 0.388 109.037 108.800 -0.251 0.000 2.301 197 G HA2 0.475 4.435 3.960 0.000 0.000 0.290 197 G HA3 0.475 4.435 3.960 0.000 0.000 0.290 197 G C -0.347 174.585 174.900 0.054 0.000 1.669 197 G CA 0.111 45.135 45.100 -0.127 0.000 0.945 197 G HN 1.566 nan 8.290 nan 0.000 0.710 198 F N 0.573 120.421 119.950 -0.171 0.000 2.467 198 F HA -0.365 4.162 4.527 0.000 0.000 0.706 198 F C 2.110 177.897 175.800 -0.022 0.000 0.741 198 F CA 2.687 60.640 58.000 -0.080 0.000 1.035 198 F CB -1.467 37.534 39.000 0.001 0.000 1.530 198 F HN 0.614 nan 8.300 nan 0.000 0.267 199 I N 0.520 120.787 120.570 -0.505 0.000 2.194 199 I HA -0.327 3.843 4.170 0.000 0.000 0.246 199 I C 2.622 178.673 176.117 -0.110 0.000 1.093 199 I CA 2.040 63.072 61.300 -0.448 0.000 1.355 199 I CB -0.801 37.015 38.000 -0.307 0.000 1.046 199 I HN 0.563 nan 8.210 nan 0.000 0.413 200 S N 0.319 115.980 115.700 -0.064 0.000 2.348 200 S HA -0.165 4.305 4.470 0.000 0.000 0.221 200 S C 2.113 176.704 174.600 -0.014 0.000 1.033 200 S CA 1.804 59.990 58.200 -0.024 0.000 1.010 200 S CB -0.391 62.784 63.200 -0.041 0.000 0.891 200 S HN 0.406 nan 8.310 nan 0.000 0.442 201 V N -0.394 119.488 119.914 -0.052 0.000 2.871 201 V HA 0.123 4.243 4.120 0.000 0.000 0.256 201 V C 1.891 177.941 176.094 -0.072 0.000 1.082 201 V CA 1.748 64.014 62.300 -0.056 0.000 1.105 201 V CB -0.766 31.007 31.823 -0.084 0.000 0.713 201 V HN 0.461 nan 8.190 nan 0.000 0.473 202 E N -0.287 119.846 120.200 -0.112 0.000 2.072 202 E HA -0.048 4.302 4.350 0.000 0.000 0.190 202 E C 1.847 178.271 176.600 -0.294 0.000 0.982 202 E CA 1.424 57.714 56.400 -0.182 0.000 0.803 202 E CB -0.174 29.377 29.700 -0.249 0.000 0.755 202 E HN 0.677 nan 8.360 nan 0.000 0.453 203 F N 0.631 120.428 119.950 -0.256 0.000 2.456 203 F HA 0.032 4.559 4.527 0.000 0.000 0.298 203 F C 2.181 177.806 175.800 -0.290 0.000 1.104 203 F CA 0.731 58.492 58.000 -0.399 0.000 1.435 203 F CB -0.096 38.620 39.000 -0.473 0.000 1.078 203 F HN -0.025 nan 8.300 nan 0.000 0.546 204 A N -0.042 122.804 122.820 0.043 0.000 1.933 204 A HA -0.061 4.259 4.320 0.000 0.000 0.218 204 A C 2.561 180.176 177.584 0.052 0.000 1.175 204 A CA 1.688 53.784 52.037 0.100 0.000 0.628 204 A CB -1.524 17.510 19.000 0.057 0.000 0.814 204 A HN 0.394 nan 8.150 nan 0.000 0.444 205 G N 0.225 109.006 108.800 -0.031 0.000 2.421 205 G HA2 -0.196 3.764 3.960 0.000 0.000 0.216 205 G HA3 -0.196 3.764 3.960 0.000 0.000 0.216 205 G C 1.518 176.411 174.900 -0.012 0.000 1.171 205 G CA 1.194 46.273 45.100 -0.035 0.000 0.775 205 G HN 0.489 nan 8.290 nan 0.000 0.543 206 I N -0.333 120.179 120.570 -0.096 0.000 2.252 206 I HA -0.057 4.113 4.170 0.000 0.000 0.245 206 I C 2.411 178.670 176.117 0.235 0.000 1.102 206 I CA 0.644 61.942 61.300 -0.004 0.000 1.385 206 I CB -0.271 37.552 38.000 -0.295 0.000 1.064 206 I HN -0.002 nan 8.210 nan 0.000 0.414 207 F N 1.299 121.358 119.950 0.182 0.000 2.171 207 F HA -0.194 4.334 4.527 0.000 0.000 0.300 207 F C 2.375 178.221 175.800 0.078 0.000 1.090 207 F CA 1.276 59.345 58.000 0.116 0.000 1.293 207 F CB -1.255 37.776 39.000 0.052 0.000 1.013 207 F HN 0.151 nan 8.300 nan 0.000 0.486 208 N N 0.457 119.300 118.700 0.239 0.000 2.120 208 N HA -0.151 4.589 4.740 0.000 0.000 0.188 208 N C 1.835 177.395 175.510 0.083 0.000 1.024 208 N CA 1.591 54.715 53.050 0.124 0.000 0.852 208 N CB -0.335 38.194 38.487 0.071 0.000 1.003 208 N HN 0.156 nan 8.380 nan 0.000 0.424 209 A N -1.227 121.633 122.820 0.065 0.000 1.968 209 A HA -0.032 4.288 4.320 0.000 0.000 0.217 209 A C 1.230 178.722 177.584 -0.153 0.000 1.169 209 A CA 0.935 52.922 52.037 -0.082 0.000 0.638 209 A CB -0.644 18.240 19.000 -0.194 0.000 0.812 209 A HN 0.478 nan 8.150 nan 0.000 0.446 210 Y N 0.670 121.071 120.300 0.168 0.000 2.485 210 Y HA 0.155 4.705 4.550 0.000 0.000 0.260 210 Y C 1.087 177.027 175.900 0.068 0.000 1.173 210 Y CA -0.099 58.115 58.100 0.191 0.000 1.252 210 Y CB -0.003 38.712 38.460 0.425 0.000 1.123 210 Y HN 0.370 nan 8.280 nan 0.000 0.524 211 K N 1.001 121.482 120.400 0.135 0.000 2.132 211 K HA 0.199 4.520 4.320 0.000 0.000 0.240 211 K C -2.359 174.260 176.600 0.031 0.000 1.036 211 K CA -1.424 54.887 56.287 0.040 0.000 0.888 211 K CB 0.311 32.829 32.500 0.030 0.000 1.071 211 K HN -0.145 nan 8.250 nan 0.000 0.502 212 P HA 0.183 nan 4.420 nan 0.000 0.227 212 P C -0.708 176.599 177.300 0.012 0.000 1.801 212 P CA -0.323 62.783 63.100 0.010 0.000 0.971 212 P CB 0.483 32.177 31.700 -0.009 0.000 1.653 213 K N -0.230 120.180 120.400 0.017 0.000 6.035 213 K HA -0.217 4.103 4.320 0.000 0.000 0.451 213 K C 0.786 177.391 176.600 0.009 0.000 0.399 213 K CA 2.305 58.602 56.287 0.016 0.000 1.899 213 K CB -1.703 30.809 32.500 0.020 0.000 0.814 213 K HN 0.427 nan 8.250 nan 0.000 0.694 214 D N 0.726 121.128 120.400 0.004 0.000 2.328 214 D HA 0.100 4.740 4.640 0.000 0.000 0.221 214 D C 0.750 177.047 176.300 -0.005 0.000 1.072 214 D CA 0.647 54.646 54.000 -0.001 0.000 0.850 214 D CB -0.218 40.580 40.800 -0.004 0.000 0.922 214 D HN 0.334 nan 8.370 nan 0.000 0.516 215 G N 0.023 108.821 108.800 -0.004 0.000 2.569 215 G HA2 0.355 4.316 3.960 0.000 0.000 0.249 215 G HA3 0.355 4.316 3.960 0.000 0.000 0.249 215 G C -0.675 174.228 174.900 0.006 0.000 1.216 215 G CA -0.300 44.795 45.100 -0.007 0.000 0.845 215 G HN 0.260 nan 8.290 nan 0.000 0.568 216 Q N -0.253 119.557 119.800 0.016 0.000 2.268 216 Q HA 0.473 4.814 4.340 0.000 0.000 0.266 216 Q C -1.197 174.840 176.000 0.062 0.000 1.006 216 Q CA -0.626 55.200 55.803 0.038 0.000 0.824 216 Q CB 2.096 30.859 28.738 0.041 0.000 1.306 216 Q HN 0.508 nan 8.270 nan 0.000 0.424 217 V N 2.690 122.639 119.914 0.059 0.000 2.427 217 V HA 0.751 4.871 4.120 0.000 0.000 0.286 217 V C -0.400 175.736 176.094 0.069 0.000 1.034 217 V CA -0.580 61.756 62.300 0.060 0.000 0.893 217 V CB 1.726 33.596 31.823 0.077 0.000 0.982 217 V HN 0.878 nan 8.190 nan 0.000 0.452 218 T N 5.774 120.360 114.554 0.052 0.000 2.963 218 T HA 0.413 4.764 4.350 0.000 0.000 0.328 218 T C -0.499 174.201 174.700 0.001 0.000 1.048 218 T CA -0.222 61.916 62.100 0.062 0.000 1.033 218 T CB 0.935 69.916 68.868 0.188 0.000 1.010 218 T HN 0.568 nan 8.240 nan 0.000 0.469 219 L N 4.196 125.435 121.223 0.026 0.000 2.319 219 L HA 0.604 4.944 4.340 0.000 0.000 0.280 219 L C 0.223 177.125 176.870 0.053 0.000 1.099 219 L CA -0.433 54.424 54.840 0.028 0.000 0.828 219 L CB 0.118 42.194 42.059 0.028 0.000 1.150 219 L HN 0.897 nan 8.230 nan 0.000 0.442 220 C N 4.849 124.195 119.300 0.077 0.000 2.498 220 C HA 0.602 5.062 4.460 0.000 0.000 0.316 220 C C -1.018 174.096 174.990 0.207 0.000 1.209 220 C CA -0.785 58.308 59.018 0.126 0.000 1.518 220 C CB 1.110 28.962 27.740 0.186 0.000 2.147 220 C HN 0.771 nan 8.230 nan 0.000 0.483 221 Y N 4.711 125.027 120.300 0.027 0.000 2.406 221 Y HA 0.581 5.131 4.550 0.000 0.000 0.340 221 Y C 0.877 176.796 175.900 0.032 0.000 0.975 221 Y CA -1.282 56.837 58.100 0.031 0.000 1.056 221 Y CB 1.479 39.950 38.460 0.018 0.000 1.210 221 Y HN 0.906 nan 8.280 nan 0.000 0.448 222 R N 2.060 122.431 120.500 -0.215 0.000 2.386 222 R HA 0.372 4.712 4.340 0.000 0.000 0.216 222 R C 0.417 176.286 176.300 -0.718 0.000 1.119 222 R CA 0.496 56.398 56.100 -0.330 0.000 1.158 222 R CB -0.449 29.797 30.300 -0.089 0.000 1.057 222 R HN 0.593 nan 8.270 nan 0.000 0.489 223 G N -0.462 107.457 108.800 -1.467 0.000 2.753 223 G HA2 0.101 4.061 3.960 0.000 0.000 0.285 223 G HA3 0.101 4.061 3.960 0.000 0.000 0.285 223 G C -0.349 174.310 174.900 -0.401 0.000 1.344 223 G CA -0.585 43.889 45.100 -1.043 0.000 1.050 223 G HN 0.122 nan 8.290 nan 0.000 0.532 224 E N -1.160 118.946 120.200 -0.156 0.000 2.250 224 E HA 0.159 4.509 4.350 0.000 0.000 0.192 224 E C 0.247 176.858 176.600 0.019 0.000 0.986 224 E CA 0.473 56.846 56.400 -0.045 0.000 0.849 224 E CB 0.176 29.882 29.700 0.009 0.000 0.797 224 E HN 0.352 nan 8.360 nan 0.000 0.482 225 M N 0.814 120.467 119.600 0.088 0.000 2.365 225 M HA 0.235 4.716 4.480 0.000 0.000 0.288 225 M C -0.448 176.001 176.300 0.250 0.000 1.152 225 M CA -0.567 54.805 55.300 0.121 0.000 0.948 225 M CB 2.199 34.824 32.600 0.043 0.000 1.729 225 M HN -0.067 nan 8.290 nan 0.000 0.487 226 I N 0.827 121.507 120.570 0.184 0.000 3.381 226 I HA 0.142 4.312 4.170 0.000 0.000 0.275 226 I C 0.203 176.288 176.117 -0.053 0.000 1.252 226 I CA -0.461 60.874 61.300 0.060 0.000 1.292 226 I CB 0.205 38.191 38.000 -0.024 0.000 1.396 226 I HN 0.889 nan 8.210 nan 0.000 0.637 227 L N 0.944 122.062 121.223 -0.175 0.000 3.795 227 L HA -0.219 4.121 4.340 0.000 0.000 0.489 227 L C 0.297 177.195 176.870 0.048 0.000 1.259 227 L CA 0.230 54.974 54.840 -0.160 0.000 0.765 227 L CB -1.501 40.347 42.059 -0.351 0.000 1.519 227 L HN 0.760 nan 8.230 nan 0.000 0.842 228 R N 0.063 120.587 120.500 0.039 0.000 2.481 228 R HA 0.206 4.546 4.340 0.000 0.000 0.291 228 R C 1.374 177.788 176.300 0.189 0.000 0.934 228 R CA 0.624 56.799 56.100 0.125 0.000 1.116 228 R CB -0.171 30.207 30.300 0.131 0.000 0.895 228 R HN 0.517 nan 8.270 nan 0.000 0.410 229 G N 1.271 110.153 108.800 0.136 0.000 2.194 229 G HA2 -0.270 3.690 3.960 0.000 0.000 0.236 229 G HA3 -0.270 3.690 3.960 0.000 0.000 0.236 229 G C -0.256 174.609 174.900 -0.059 0.000 0.987 229 G CA -0.375 44.757 45.100 0.053 0.000 0.635 229 G HN 0.470 nan 8.290 nan 0.000 0.520 230 F N 1.256 121.166 119.950 -0.067 0.000 2.408 230 F HA 0.578 5.105 4.527 0.000 0.000 0.325 230 F C 0.807 176.522 175.800 -0.140 0.000 1.082 230 F CA -0.818 57.133 58.000 -0.082 0.000 1.032 230 F CB 0.788 39.745 39.000 -0.071 0.000 1.259 230 F HN 0.081 nan 8.300 nan 0.000 0.503 231 D N 0.154 120.499 120.400 -0.093 0.000 2.525 231 D HA -0.090 4.551 4.640 0.000 0.000 0.235 231 D C 1.148 177.415 176.300 -0.056 0.000 1.137 231 D CA 0.723 54.596 54.000 -0.212 0.000 0.868 231 D CB 0.410 40.907 40.800 -0.506 0.000 1.180 231 D HN 0.580 nan 8.370 nan 0.000 0.465 232 H N 1.630 120.680 119.070 -0.034 0.000 2.457 232 H HA -0.108 4.448 4.556 0.001 0.000 0.297 232 H C 1.559 176.898 175.328 0.018 0.000 1.092 232 H CA 1.998 58.055 56.048 0.014 0.000 1.309 232 H CB 0.449 30.228 29.762 0.029 0.000 1.382 232 H HN 0.437 nan 8.280 nan 0.000 0.535 233 T N 0.005 114.630 114.554 0.119 0.000 2.937 233 T HA -0.011 4.339 4.350 0.000 0.000 0.260 233 T C 2.083 176.801 174.700 0.030 0.000 1.051 233 T CA 0.708 62.861 62.100 0.088 0.000 1.141 233 T CB 0.014 68.932 68.868 0.083 0.000 0.879 233 T HN 0.252 nan 8.240 nan 0.000 0.459 234 L N 0.543 121.771 121.223 0.009 0.000 2.141 234 L HA -0.032 4.308 4.340 0.000 0.000 0.209 234 L C 2.748 179.600 176.870 -0.030 0.000 1.094 234 L CA 1.312 56.146 54.840 -0.011 0.000 0.763 234 L CB -0.520 41.554 42.059 0.024 0.000 0.908 234 L HN 0.199 nan 8.230 nan 0.000 0.437 235 R N 0.340 120.817 120.500 -0.037 0.000 2.073 235 R HA -0.124 4.216 4.340 0.000 0.000 0.229 235 R C 2.287 178.562 176.300 -0.042 0.000 1.120 235 R CA 1.432 57.491 56.100 -0.068 0.000 0.967 235 R CB -0.137 30.084 30.300 -0.131 0.000 0.862 235 R HN 0.532 nan 8.270 nan 0.000 0.436 236 E N 0.537 120.733 120.200 -0.006 0.000 2.107 236 E HA -0.150 4.200 4.350 0.000 0.000 0.191 236 E C 1.548 178.152 176.600 0.006 0.000 0.982 236 E CA 0.666 57.078 56.400 0.020 0.000 0.809 236 E CB -0.076 29.664 29.700 0.067 0.000 0.756 236 E HN 0.209 nan 8.360 nan 0.000 0.459 237 E N 0.991 121.192 120.200 0.000 0.000 2.072 237 E HA -0.122 4.228 4.350 0.000 0.000 0.191 237 E C 2.120 178.708 176.600 -0.020 0.000 0.985 237 E CA 0.539 56.934 56.400 -0.008 0.000 0.801 237 E CB -0.178 29.511 29.700 -0.018 0.000 0.750 237 E HN 0.215 nan 8.360 nan 0.000 0.452 238 L N 0.890 122.090 121.223 -0.038 0.000 2.093 238 L HA -0.076 4.264 4.340 0.000 0.000 0.208 238 L C 2.117 178.961 176.870 -0.043 0.000 1.085 238 L CA 1.643 56.453 54.840 -0.049 0.000 0.755 238 L CB -0.685 41.326 42.059 -0.080 0.000 0.904 238 L HN -0.001 nan 8.230 nan 0.000 0.435 239 T N -0.640 113.892 114.554 -0.036 0.000 2.881 239 T HA -0.163 4.187 4.350 0.000 0.000 0.270 239 T C 1.912 176.593 174.700 -0.032 0.000 1.068 239 T CA 1.351 63.434 62.100 -0.028 0.000 1.131 239 T CB -0.075 68.785 68.868 -0.013 0.000 0.871 239 T HN 0.331 nan 8.240 nan 0.000 0.479 240 K N 0.639 121.023 120.400 -0.028 0.000 2.076 240 K HA 0.022 4.342 4.320 0.000 0.000 0.204 240 K C 2.423 178.980 176.600 -0.071 0.000 1.051 240 K CA 0.997 57.263 56.287 -0.036 0.000 0.949 240 K CB -0.017 32.477 32.500 -0.010 0.000 0.726 240 K HN 0.330 nan 8.250 nan 0.000 0.443 241 Q N 0.312 120.086 119.800 -0.043 0.000 2.389 241 Q HA 0.068 4.408 4.340 0.000 0.000 0.204 241 Q C 1.899 177.840 176.000 -0.098 0.000 0.944 241 Q CA 0.302 56.079 55.803 -0.044 0.000 0.908 241 Q CB 0.327 29.126 28.738 0.101 0.000 1.002 241 Q HN 0.240 nan 8.270 nan 0.000 0.493 242 L N 0.054 121.233 121.223 -0.073 0.000 2.068 242 L HA -0.122 4.219 4.340 0.000 0.000 0.204 242 L C 2.466 179.280 176.870 -0.093 0.000 1.076 242 L CA 1.640 56.439 54.840 -0.067 0.000 0.753 242 L CB -0.602 41.429 42.059 -0.046 0.000 0.910 242 L HN 0.368 nan 8.230 nan 0.000 0.439 243 T N -2.405 112.092 114.554 -0.095 0.000 2.915 243 T HA -0.083 4.267 4.350 0.000 0.000 0.269 243 T C 1.868 176.468 174.700 -0.167 0.000 1.071 243 T CA 0.839 62.879 62.100 -0.099 0.000 1.132 243 T CB -0.326 68.499 68.868 -0.072 0.000 0.878 243 T HN 0.307 nan 8.240 nan 0.000 0.479 244 A N 2.133 124.788 122.820 -0.275 0.000 1.933 244 A HA -0.053 4.267 4.320 0.000 0.000 0.218 244 A C 2.177 179.453 177.584 -0.512 0.000 1.175 244 A CA 1.604 53.340 52.037 -0.502 0.000 0.628 244 A CB -0.987 17.453 19.000 -0.933 0.000 0.814 244 A HN 0.634 nan 8.150 nan 0.000 0.444 245 N N -1.696 116.783 118.700 -0.368 0.000 2.398 245 N HA 0.249 4.989 4.740 0.000 0.000 0.188 245 N C 0.679 176.131 175.510 -0.097 0.000 1.122 245 N CA 0.602 53.541 53.050 -0.184 0.000 0.866 245 N CB 0.145 38.589 38.487 -0.072 0.000 0.970 245 N HN 0.554 nan 8.380 nan 0.000 0.462 246 G N 1.338 110.077 108.800 -0.102 0.000 2.145 246 G HA2 -0.202 3.759 3.960 0.000 0.000 0.176 246 G HA3 -0.202 3.759 3.960 0.000 0.000 0.176 246 G C -0.116 174.768 174.900 -0.025 0.000 1.013 246 G CA 0.033 45.099 45.100 -0.056 0.000 0.689 246 G HN 0.363 nan 8.290 nan 0.000 0.506 247 I N -1.845 118.710 120.570 -0.026 0.000 2.336 247 I HA 0.658 4.829 4.170 0.000 0.000 0.292 247 I C 0.299 176.417 176.117 0.001 0.000 0.991 247 I CA -1.010 60.290 61.300 0.001 0.000 1.227 247 I CB 1.144 39.150 38.000 0.009 0.000 1.366 247 I HN 0.079 nan 8.210 nan 0.000 0.466 248 Q N 6.660 126.472 119.800 0.020 0.000 2.255 248 Q HA 0.299 4.639 4.340 0.000 0.000 0.280 248 Q C -0.823 175.191 176.000 0.022 0.000 1.068 248 Q CA 0.404 56.221 55.803 0.023 0.000 0.911 248 Q CB 0.994 29.764 28.738 0.054 0.000 1.157 248 Q HN 0.670 nan 8.270 nan 0.000 0.380 249 I N 4.644 125.219 120.570 0.009 0.000 2.371 249 I HA 0.133 4.303 4.170 0.000 0.000 0.282 249 I C -0.785 175.337 176.117 0.008 0.000 1.031 249 I CA -0.723 60.586 61.300 0.016 0.000 1.180 249 I CB 0.821 38.828 38.000 0.012 0.000 1.336 249 I HN 0.315 nan 8.210 nan 0.000 0.467 250 L N 7.010 128.238 121.223 0.008 0.000 2.282 250 L HA 0.280 4.621 4.340 0.000 0.000 0.287 250 L C 0.643 177.499 176.870 -0.023 0.000 1.075 250 L CA 0.144 54.961 54.840 -0.037 0.000 0.839 250 L CB 0.788 42.793 42.059 -0.089 0.000 1.219 250 L HN 0.567 nan 8.230 nan 0.000 0.434 251 T N -0.030 114.505 114.554 -0.031 0.000 2.922 251 T HA 0.404 4.755 4.350 0.000 0.000 0.285 251 T C 0.452 175.093 174.700 -0.098 0.000 1.005 251 T CA -0.946 61.124 62.100 -0.050 0.000 1.061 251 T CB 0.949 69.799 68.868 -0.030 0.000 1.007 251 T HN 0.483 nan 8.240 nan 0.000 0.502 252 K N 0.147 120.459 120.400 -0.148 0.000 3.071 252 K HA -0.142 4.178 4.320 0.000 0.000 0.265 252 K C -0.403 176.135 176.600 -0.102 0.000 1.060 252 K CA 0.737 56.946 56.287 -0.130 0.000 0.767 252 K CB -0.962 31.480 32.500 -0.097 0.000 1.241 252 K HN 0.642 nan 8.250 nan 0.000 0.486 253 E N 0.732 120.875 120.200 -0.095 0.000 2.234 253 E HA 0.319 4.669 4.350 0.000 0.000 0.266 253 E C -1.081 175.590 176.600 0.118 0.000 0.877 253 E CA -0.635 55.715 56.400 -0.083 0.000 0.758 253 E CB 1.894 31.377 29.700 -0.363 0.000 1.170 253 E HN 0.302 nan 8.360 nan 0.000 0.415 254 N N 2.944 121.809 118.700 0.274 0.000 2.397 254 N HA 0.318 5.058 4.740 0.000 0.000 0.291 254 N C -2.771 172.930 175.510 0.318 0.000 1.065 254 N CA -1.910 51.308 53.050 0.280 0.000 0.884 254 N CB 2.080 40.648 38.487 0.134 0.000 1.551 254 N HN -0.050 nan 8.380 nan 0.000 0.487 255 P HA -0.029 nan 4.420 nan 0.000 0.261 255 P C -0.562 176.726 177.300 -0.019 0.000 1.173 255 P CA 0.422 63.465 63.100 -0.094 0.000 0.760 255 P CB 0.975 32.602 31.700 -0.120 0.000 0.783 256 A N 4.044 126.838 122.820 -0.043 0.000 2.026 256 A HA 0.152 4.472 4.320 0.000 0.000 0.201 256 A C 0.650 178.221 177.584 -0.022 0.000 1.318 256 A CA 0.783 52.816 52.037 -0.006 0.000 0.857 256 A CB 0.150 19.163 19.000 0.021 0.000 0.939 256 A HN 0.486 nan 8.150 nan 0.000 0.476 257 K N 0.336 120.705 120.400 -0.052 0.000 2.651 257 K HA 0.448 4.768 4.320 0.000 0.000 0.259 257 K C -1.997 174.572 176.600 -0.051 0.000 1.017 257 K CA -0.379 55.888 56.287 -0.033 0.000 0.897 257 K CB 1.832 34.324 32.500 -0.014 0.000 1.262 257 K HN -0.042 nan 8.250 nan 0.000 0.460 258 V N 5.358 125.260 119.914 -0.019 0.000 2.368 258 V HA 0.181 4.301 4.120 0.000 0.000 0.266 258 V C 0.086 176.204 176.094 0.040 0.000 1.045 258 V CA -0.324 61.977 62.300 0.000 0.000 0.899 258 V CB 0.709 32.559 31.823 0.045 0.000 1.006 258 V HN 0.743 nan 8.190 nan 0.000 0.470 259 E N 5.704 125.879 120.200 -0.041 0.000 2.171 259 E HA 0.421 4.771 4.350 0.000 0.000 0.271 259 E C -0.763 175.697 176.600 -0.234 0.000 0.916 259 E CA -0.912 55.434 56.400 -0.089 0.000 0.774 259 E CB 2.704 32.374 29.700 -0.050 0.000 1.128 259 E HN 0.564 nan 8.360 nan 0.000 0.403 260 L N 4.652 125.589 121.223 -0.477 0.000 2.456 260 L HA 0.090 4.430 4.340 0.000 0.000 0.277 260 L C -0.211 176.531 176.870 -0.213 0.000 1.124 260 L CA -0.320 54.244 54.840 -0.460 0.000 0.880 260 L CB 0.111 41.774 42.059 -0.660 0.000 1.192 260 L HN 0.573 nan 8.230 nan 0.000 0.463 261 N N 5.386 123.997 118.700 -0.150 0.000 2.437 261 N HA 0.392 5.132 4.740 0.000 0.000 0.259 261 N C 0.262 175.725 175.510 -0.078 0.000 0.983 261 N CA 0.287 53.279 53.050 -0.096 0.000 0.937 261 N CB 1.713 40.152 38.487 -0.080 0.000 1.122 261 N HN 0.876 nan 8.380 nan 0.000 0.499 262 A N 3.747 126.530 122.820 -0.061 0.000 5.150 262 A HA -0.399 3.921 4.320 0.000 0.000 0.324 262 A C 1.147 178.707 177.584 -0.040 0.000 1.862 262 A CA 1.757 53.768 52.037 -0.044 0.000 0.710 262 A CB -2.142 16.834 19.000 -0.040 0.000 1.367 262 A HN 0.907 nan 8.150 nan 0.000 0.380 263 D N 1.270 121.648 120.400 -0.038 0.000 2.421 263 D HA 0.211 4.851 4.640 0.000 0.000 0.223 263 D C 1.516 177.796 176.300 -0.033 0.000 0.979 263 D CA 2.167 56.147 54.000 -0.032 0.000 0.959 263 D CB -1.123 39.657 40.800 -0.033 0.000 0.874 263 D HN 2.385 nan 8.370 nan 0.000 0.513 264 G N -0.935 107.839 108.800 -0.042 0.000 2.238 264 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 264 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 264 G C 0.493 175.361 174.900 -0.054 0.000 0.996 264 G CA 0.183 45.258 45.100 -0.042 0.000 0.632 264 G HN 0.488 nan 8.290 nan 0.000 0.503 265 S N 0.364 116.030 115.700 -0.057 0.000 2.549 265 S HA 0.430 4.900 4.470 0.000 0.000 0.278 265 S C 0.318 174.869 174.600 -0.082 0.000 1.344 265 S CA 0.681 58.843 58.200 -0.063 0.000 1.025 265 S CB 0.731 63.889 63.200 -0.069 0.000 0.851 265 S HN 0.474 nan 8.310 nan 0.000 0.530 266 K N 1.375 121.737 120.400 -0.062 0.000 2.397 266 K HA 0.399 4.719 4.320 0.000 0.000 0.253 266 K C -1.161 175.405 176.600 -0.056 0.000 0.932 266 K CA -0.178 56.065 56.287 -0.074 0.000 0.795 266 K CB 1.907 34.386 32.500 -0.035 0.000 1.159 266 K HN 0.378 nan 8.250 nan 0.000 0.424 267 S N 1.736 117.387 115.700 -0.080 0.000 2.404 267 S HA 0.266 4.736 4.470 0.000 0.000 0.309 267 S C -0.534 174.024 174.600 -0.069 0.000 1.076 267 S CA -0.777 57.377 58.200 -0.077 0.000 1.095 267 S CB 0.546 63.700 63.200 -0.076 0.000 0.972 267 S HN 0.265 nan 8.310 nan 0.000 0.484 268 V N 4.497 124.373 119.914 -0.064 0.000 2.334 268 V HA 0.212 4.332 4.120 0.000 0.000 0.267 268 V C 0.523 176.460 176.094 -0.262 0.000 1.040 268 V CA -0.420 61.778 62.300 -0.170 0.000 0.866 268 V CB 0.771 32.477 31.823 -0.195 0.000 1.019 268 V HN 0.764 nan 8.190 nan 0.000 0.468 269 T N 6.710 121.156 114.554 -0.180 0.000 2.761 269 T HA 0.457 4.807 4.350 0.000 0.000 0.296 269 T C -0.145 174.460 174.700 -0.159 0.000 0.934 269 T CA 0.110 62.155 62.100 -0.092 0.000 1.091 269 T CB -0.023 68.834 68.868 -0.019 0.000 0.896 269 T HN 0.281 nan 8.240 nan 0.000 0.515 270 F N 2.082 122.058 119.950 0.044 0.000 2.399 270 F HA 0.212 4.739 4.527 0.000 0.000 0.342 270 F C 1.975 177.790 175.800 0.024 0.000 1.106 270 F CA -0.971 57.052 58.000 0.038 0.000 1.196 270 F CB 0.616 39.641 39.000 0.041 0.000 1.163 270 F HN 0.675 nan 8.300 nan 0.000 0.547 271 E N -0.746 119.570 120.200 0.194 0.000 2.267 271 E HA -0.146 4.204 4.350 0.000 0.000 0.197 271 E C 0.668 177.333 176.600 0.109 0.000 0.998 271 E CA 1.267 57.736 56.400 0.115 0.000 0.830 271 E CB -0.379 29.372 29.700 0.084 0.000 0.751 271 E HN 0.486 nan 8.360 nan 0.000 0.491 272 S N 0.609 116.396 115.700 0.146 0.000 2.871 272 S HA 0.341 4.811 4.470 0.000 0.000 0.254 272 S C 1.300 175.941 174.600 0.069 0.000 1.088 272 S CA -0.095 58.149 58.200 0.073 0.000 1.166 272 S CB 0.061 63.270 63.200 0.016 0.000 0.826 272 S HN 0.618 nan 8.310 nan 0.000 0.471 273 G N 2.329 111.182 108.800 0.088 0.000 4.236 273 G HA2 -0.435 3.525 3.960 0.000 0.000 0.222 273 G HA3 -0.435 3.525 3.960 0.000 0.000 0.222 273 G C 0.272 175.242 174.900 0.116 0.000 1.354 273 G CA 0.595 45.740 45.100 0.076 0.000 0.966 273 G HN 0.678 nan 8.290 nan 0.000 0.624 274 K N 1.733 122.205 120.400 0.120 0.000 2.600 274 K HA 0.159 4.479 4.320 0.000 0.000 0.280 274 K C 0.217 177.012 176.600 0.324 0.000 0.971 274 K CA 1.122 57.506 56.287 0.161 0.000 1.053 274 K CB 0.169 32.683 32.500 0.023 0.000 0.856 274 K HN 0.570 nan 8.250 nan 0.000 0.495 275 K N 4.241 124.768 120.400 0.212 0.000 2.316 275 K HA 0.399 4.719 4.320 0.000 0.000 0.251 275 K C -0.970 175.712 176.600 0.136 0.000 0.934 275 K CA -0.667 55.722 56.287 0.171 0.000 0.802 275 K CB 1.130 33.664 32.500 0.057 0.000 1.171 275 K HN 0.550 nan 8.250 nan 0.000 0.426 276 M N 1.827 121.480 119.600 0.088 0.000 2.631 276 M HA 0.289 4.769 4.480 0.000 0.000 0.288 276 M C -1.568 174.519 176.300 -0.355 0.000 1.260 276 M CA -0.943 54.292 55.300 -0.109 0.000 0.842 276 M CB 2.362 34.972 32.600 0.017 0.000 1.743 276 M HN 0.581 nan 8.290 nan 0.000 0.461 277 D N 0.734 120.777 120.400 -0.596 0.000 2.278 277 D HA 0.706 5.346 4.640 0.000 0.000 0.245 277 D C -1.608 174.212 176.300 -0.801 0.000 1.052 277 D CA 0.301 54.001 54.000 -0.500 0.000 0.834 277 D CB 1.254 41.888 40.800 -0.277 0.000 1.194 277 D HN 0.170 nan 8.370 nan 0.000 0.481 278 F N 0.403 120.318 119.950 -0.058 0.000 2.629 278 F HA 0.327 4.854 4.527 0.000 0.000 0.316 278 F C 1.061 176.807 175.800 -0.090 0.000 1.081 278 F CA -0.814 57.143 58.000 -0.071 0.000 0.954 278 F CB 1.591 40.546 39.000 -0.075 0.000 1.337 278 F HN 0.145 nan 8.300 nan 0.000 0.474 279 D N 0.435 120.901 120.400 0.109 0.000 2.355 279 D HA 0.164 4.804 4.640 0.000 0.000 0.206 279 D C -0.395 175.883 176.300 -0.036 0.000 1.010 279 D CA 0.884 54.883 54.000 -0.001 0.000 0.875 279 D CB 0.953 41.724 40.800 -0.047 0.000 0.966 279 D HN 0.119 nan 8.370 nan 0.000 0.512 280 L N 0.829 122.020 121.223 -0.053 0.000 2.505 280 L HA 0.323 4.663 4.340 0.000 0.000 0.266 280 L C -1.603 175.163 176.870 -0.173 0.000 0.954 280 L CA -0.831 53.928 54.840 -0.135 0.000 0.852 280 L CB 2.241 44.144 42.059 -0.260 0.000 1.282 280 L HN -0.347 nan 8.230 nan 0.000 0.403 281 V N 5.659 125.491 119.914 -0.138 0.000 2.384 281 V HA 0.538 4.659 4.120 0.000 0.000 0.287 281 V C 0.080 176.084 176.094 -0.149 0.000 1.020 281 V CA -0.381 61.812 62.300 -0.178 0.000 0.850 281 V CB 1.491 33.241 31.823 -0.121 0.000 0.987 281 V HN 0.864 nan 8.190 nan 0.000 0.436 282 M N 6.151 125.654 119.600 -0.161 0.000 2.167 282 M HA 0.536 5.016 4.480 0.000 0.000 0.333 282 M C -0.963 175.263 176.300 -0.123 0.000 1.030 282 M CA -0.551 54.667 55.300 -0.137 0.000 0.963 282 M CB 1.346 33.877 32.600 -0.115 0.000 1.589 282 M HN 0.477 nan 8.290 nan 0.000 0.431 283 M N 4.157 123.685 119.600 -0.119 0.000 2.120 283 M HA 0.334 4.814 4.480 0.000 0.000 0.354 283 M C -0.011 176.228 176.300 -0.101 0.000 1.287 283 M CA 0.042 55.283 55.300 -0.098 0.000 1.103 283 M CB 0.690 33.233 32.600 -0.095 0.000 1.623 283 M HN 0.811 nan 8.290 nan 0.000 0.471 284 A N 4.127 126.907 122.820 -0.067 0.000 2.806 284 A HA 0.365 4.686 4.320 0.000 0.000 0.266 284 A C 0.913 178.496 177.584 -0.001 0.000 0.926 284 A CA -0.411 51.595 52.037 -0.051 0.000 1.068 284 A CB -0.454 18.507 19.000 -0.065 0.000 1.189 284 A HN 0.931 nan 8.150 nan 0.000 0.481 285 I N -3.925 116.654 120.570 0.015 0.000 3.059 285 I HA 0.524 4.694 4.170 0.000 0.000 0.270 285 I C 0.814 177.007 176.117 0.127 0.000 1.238 285 I CA 0.672 62.012 61.300 0.067 0.000 1.478 285 I CB 0.300 38.336 38.000 0.060 0.000 1.097 285 I HN 0.311 nan 8.210 nan 0.000 0.455 286 G N 0.452 109.335 108.800 0.139 0.000 2.349 286 G HA2 0.518 4.478 3.960 0.000 0.000 0.294 286 G HA3 0.518 4.478 3.960 0.000 0.000 0.294 286 G C -1.658 173.354 174.900 0.186 0.000 1.380 286 G CA -1.037 44.175 45.100 0.186 0.000 0.811 286 G HN 0.086 nan 8.290 nan 0.000 0.519 287 R N -0.549 120.051 120.500 0.167 0.000 2.744 287 R HA 0.780 5.120 4.340 0.000 0.000 0.279 287 R C -1.163 175.217 176.300 0.133 0.000 0.977 287 R CA -0.704 55.489 56.100 0.156 0.000 0.906 287 R CB 2.371 32.753 30.300 0.137 0.000 1.197 287 R HN 0.491 nan 8.270 nan 0.000 0.463 288 S N 2.275 118.067 115.700 0.154 0.000 2.547 288 S HA 0.421 4.891 4.470 0.000 0.000 0.281 288 S C -2.706 171.980 174.600 0.144 0.000 1.118 288 S CA -1.363 56.900 58.200 0.106 0.000 0.947 288 S CB 2.334 65.567 63.200 0.054 0.000 1.053 288 S HN 0.363 nan 8.310 nan 0.000 0.482 289 P HA 0.045 nan 4.420 nan 0.000 0.263 289 P C -0.196 177.183 177.300 0.132 0.000 1.168 289 P CA 0.244 63.410 63.100 0.110 0.000 0.759 289 P CB 0.282 32.025 31.700 0.071 0.000 0.782 290 R N 2.120 122.711 120.500 0.151 0.000 3.907 290 R HA 0.040 4.380 4.340 0.000 0.000 0.241 290 R C 1.308 177.665 176.300 0.095 0.000 1.784 290 R CA 0.159 56.345 56.100 0.143 0.000 1.509 290 R CB -0.620 29.781 30.300 0.168 0.000 1.275 290 R HN 0.523 nan 8.270 nan 0.000 0.642 291 T N 1.125 115.727 114.554 0.079 0.000 2.684 291 T HA -0.206 4.144 4.350 0.000 0.000 0.267 291 T C 1.115 175.842 174.700 0.045 0.000 1.036 291 T CA 1.497 63.630 62.100 0.056 0.000 1.148 291 T CB 0.111 69.006 68.868 0.045 0.000 0.863 291 T HN 0.433 nan 8.240 nan 0.000 0.436 292 K N 0.523 120.948 120.400 0.043 0.000 2.279 292 K HA -0.276 4.044 4.320 0.000 0.000 0.148 292 K C 0.595 177.201 176.600 0.009 0.000 0.794 292 K CA 2.440 58.742 56.287 0.025 0.000 0.699 292 K CB -1.010 31.505 32.500 0.026 0.000 0.597 292 K HN 0.500 nan 8.250 nan 0.000 0.890 293 D N 0.261 120.670 120.400 0.014 0.000 2.587 293 D HA 0.170 4.810 4.640 0.000 0.000 0.233 293 D C 0.469 176.785 176.300 0.027 0.000 1.213 293 D CA -0.128 53.869 54.000 -0.006 0.000 0.827 293 D CB 0.283 41.050 40.800 -0.055 0.000 1.006 293 D HN 0.062 nan 8.370 nan 0.000 0.490 294 L N 0.190 121.432 121.223 0.031 0.000 2.509 294 L HA 0.086 4.426 4.340 0.000 0.000 0.222 294 L C 0.513 177.392 176.870 0.015 0.000 1.123 294 L CA 0.622 55.482 54.840 0.033 0.000 0.856 294 L CB -0.437 41.645 42.059 0.038 0.000 0.985 294 L HN 0.029 nan 8.230 nan 0.000 0.456 295 Q N -0.823 118.979 119.800 0.004 0.000 2.478 295 Q HA -0.238 4.102 4.340 0.000 0.000 0.286 295 Q C 1.293 177.291 176.000 -0.002 0.000 1.299 295 Q CA 0.538 56.339 55.803 -0.004 0.000 0.826 295 Q CB -2.229 26.504 28.738 -0.008 0.000 1.199 295 Q HN 0.409 nan 8.270 nan 0.000 0.451 296 L N 0.081 121.306 121.223 0.002 0.000 2.083 296 L HA -0.240 4.100 4.340 0.000 0.000 0.209 296 L C 2.685 179.553 176.870 -0.004 0.000 1.083 296 L CA 2.076 56.917 54.840 0.001 0.000 0.752 296 L CB -0.490 41.573 42.059 0.006 0.000 0.899 296 L HN 0.486 nan 8.230 nan 0.000 0.433 297 Q N 0.399 120.196 119.800 -0.005 0.000 2.181 297 Q HA -0.254 4.086 4.340 0.000 0.000 0.205 297 Q C 1.462 177.456 176.000 -0.010 0.000 0.980 297 Q CA 2.021 57.820 55.803 -0.007 0.000 0.862 297 Q CB -0.889 27.845 28.738 -0.007 0.000 0.905 297 Q HN 0.450 nan 8.270 nan 0.000 0.429 298 N N 1.711 120.405 118.700 -0.010 0.000 2.192 298 N HA -0.102 4.638 4.740 0.000 0.000 0.188 298 N C 1.564 177.066 175.510 -0.012 0.000 1.013 298 N CA 2.154 55.197 53.050 -0.011 0.000 0.863 298 N CB -0.330 38.151 38.487 -0.011 0.000 0.990 298 N HN 0.537 nan 8.380 nan 0.000 0.430 299 A N -1.116 121.696 122.820 -0.013 0.000 2.115 299 A HA 0.496 4.816 4.320 0.000 0.000 0.211 299 A C 1.307 178.880 177.584 -0.019 0.000 1.169 299 A CA 0.661 52.687 52.037 -0.017 0.000 0.787 299 A CB -0.064 18.924 19.000 -0.019 0.000 0.858 299 A HN 0.279 nan 8.150 nan 0.000 0.474 300 G N -0.560 108.231 108.800 -0.016 0.000 2.203 300 G HA2 -0.115 3.845 3.960 0.000 0.000 0.231 300 G HA3 -0.115 3.845 3.960 0.000 0.000 0.231 300 G C -0.055 174.835 174.900 -0.017 0.000 1.058 300 G CA -0.011 45.080 45.100 -0.015 0.000 0.781 300 G HN 0.755 nan 8.290 nan 0.000 0.496 301 V N 0.638 120.543 119.914 -0.015 0.000 2.649 301 V HA 0.618 4.738 4.120 0.000 0.000 0.292 301 V C 0.938 177.028 176.094 -0.006 0.000 1.055 301 V CA -0.086 62.206 62.300 -0.014 0.000 1.023 301 V CB 1.722 33.539 31.823 -0.011 0.000 0.992 301 V HN 0.443 nan 8.190 nan 0.000 0.480 302 M N 4.204 123.801 119.600 -0.005 0.000 2.238 302 M HA 0.485 4.965 4.480 0.000 0.000 0.350 302 M C -0.926 175.377 176.300 0.004 0.000 1.138 302 M CA -0.505 54.794 55.300 -0.001 0.000 1.040 302 M CB 1.383 33.982 32.600 -0.002 0.000 1.639 302 M HN 0.436 nan 8.290 nan 0.000 0.451 303 I N 4.381 124.954 120.570 0.006 0.000 2.395 303 I HA 0.145 4.316 4.170 0.000 0.000 0.289 303 I C 1.039 177.160 176.117 0.006 0.000 1.023 303 I CA 0.108 61.413 61.300 0.008 0.000 1.350 303 I CB 0.830 38.836 38.000 0.009 0.000 1.409 303 I HN 0.610 nan 8.210 nan 0.000 0.507 304 K N 4.241 124.645 120.400 0.006 0.000 1.992 304 K HA 0.084 4.404 4.320 0.000 0.000 0.210 304 K C -0.197 176.405 176.600 0.003 0.000 1.036 304 K CA 1.303 57.592 56.287 0.003 0.000 0.946 304 K CB -0.106 32.395 32.500 0.001 0.000 0.742 304 K HN 0.857 nan 8.250 nan 0.000 0.442 305 N N -2.455 116.246 118.700 0.002 0.000 2.371 305 N HA 0.408 5.149 4.740 0.000 0.000 0.280 305 N C 0.350 175.861 175.510 0.002 0.000 1.084 305 N CA -0.044 53.007 53.050 0.001 0.000 0.892 305 N CB 1.473 39.960 38.487 -0.001 0.000 1.653 305 N HN 0.241 nan 8.380 nan 0.000 0.480 306 G N 0.621 109.421 108.800 0.000 0.000 5.218 306 G HA2 -0.237 3.723 3.960 0.000 0.000 0.342 306 G HA3 -0.237 3.723 3.960 0.000 0.000 0.342 306 G C 0.414 175.325 174.900 0.018 0.000 1.391 306 G CA 0.646 45.748 45.100 0.004 0.000 1.096 306 G HN 1.134 nan 8.290 nan 0.000 0.831 307 G N -1.102 107.710 108.800 0.020 0.000 2.667 307 G HA2 0.653 4.613 3.960 0.000 0.000 0.310 307 G HA3 0.653 4.613 3.960 0.000 0.000 0.310 307 G C -0.107 174.807 174.900 0.022 0.000 1.259 307 G CA 0.170 45.287 45.100 0.028 0.000 1.019 307 G HN 1.162 nan 8.290 nan 0.000 0.496 308 V N 1.125 121.056 119.914 0.028 0.000 2.539 308 V HA 0.032 4.152 4.120 0.000 0.000 0.300 308 V C 0.839 176.946 176.094 0.021 0.000 1.019 308 V CA 0.332 62.647 62.300 0.025 0.000 1.160 308 V CB 0.188 32.031 31.823 0.034 0.000 0.901 308 V HN 0.813 nan 8.190 nan 0.000 0.481 309 Q N 4.533 124.342 119.800 0.015 0.000 2.286 309 Q HA 0.662 5.002 4.340 0.000 0.000 0.257 309 Q C -1.121 174.891 176.000 0.021 0.000 0.941 309 Q CA -0.462 55.348 55.803 0.013 0.000 0.912 309 Q CB 1.834 30.576 28.738 0.008 0.000 1.192 309 Q HN 0.466 nan 8.270 nan 0.000 0.410 310 V N 3.139 123.069 119.914 0.026 0.000 2.932 310 V HA 0.178 4.299 4.120 0.000 0.000 0.307 310 V C -0.903 175.219 176.094 0.048 0.000 1.147 310 V CA -0.615 61.713 62.300 0.047 0.000 0.951 310 V CB 2.294 34.153 31.823 0.061 0.000 1.031 310 V HN 1.135 nan 8.190 nan 0.000 0.426 311 D N 2.922 123.367 120.400 0.075 0.000 2.403 311 D HA 0.147 4.787 4.640 0.000 0.000 0.278 311 D C 0.889 177.227 176.300 0.064 0.000 1.230 311 D CA -0.001 54.046 54.000 0.079 0.000 1.062 311 D CB 0.584 41.458 40.800 0.123 0.000 1.119 311 D HN 0.537 nan 8.370 nan 0.000 0.557 312 E N -1.608 118.614 120.200 0.037 0.000 2.106 312 E HA -0.150 4.200 4.350 0.000 0.000 0.192 312 E C 1.217 177.668 176.600 -0.247 0.000 0.984 312 E CA 1.015 57.344 56.400 -0.117 0.000 0.806 312 E CB -0.303 29.250 29.700 -0.244 0.000 0.750 312 E HN 0.429 nan 8.360 nan 0.000 0.458 313 Y N 0.235 120.576 120.300 0.069 0.000 2.462 313 Y HA 0.136 4.686 4.550 0.000 0.000 0.293 313 Y C 0.288 176.244 175.900 0.093 0.000 1.195 313 Y CA 0.086 58.225 58.100 0.064 0.000 1.276 313 Y CB 0.160 38.650 38.460 0.051 0.000 1.082 313 Y HN -0.196 nan 8.280 nan 0.000 0.514 314 S N 1.231 117.034 115.700 0.171 0.000 3.783 314 S HA -0.192 4.278 4.470 0.000 0.000 0.360 314 S C -0.174 174.584 174.600 0.263 0.000 1.006 314 S CA 0.553 58.856 58.200 0.172 0.000 1.115 314 S CB -1.561 61.726 63.200 0.144 0.000 0.893 314 S HN 0.652 nan 8.310 nan 0.000 0.475 315 R N -0.700 119.947 120.500 0.246 0.000 2.744 315 R HA 0.688 5.028 4.340 0.000 0.000 0.279 315 R C -0.108 176.229 176.300 0.062 0.000 0.977 315 R CA -0.753 55.469 56.100 0.202 0.000 0.906 315 R CB 0.575 31.027 30.300 0.254 0.000 1.197 315 R HN 0.162 nan 8.270 nan 0.000 0.463 316 T N -0.273 114.269 114.554 -0.021 0.000 2.770 316 T HA 0.066 4.416 4.350 0.000 0.000 0.281 316 T C 1.371 176.045 174.700 -0.045 0.000 0.981 316 T CA -0.197 61.886 62.100 -0.027 0.000 0.955 316 T CB 0.343 69.187 68.868 -0.040 0.000 1.060 316 T HN 0.688 nan 8.240 nan 0.000 0.531 317 N N -0.056 118.626 118.700 -0.031 0.000 2.037 317 N HA -0.143 4.597 4.740 0.000 0.000 0.196 317 N C 0.308 175.785 175.510 -0.055 0.000 1.034 317 N CA 0.837 53.867 53.050 -0.032 0.000 0.861 317 N CB -1.036 37.437 38.487 -0.022 0.000 1.039 317 N HN 0.395 nan 8.380 nan 0.000 0.427 318 V N 1.648 121.520 119.914 -0.069 0.000 2.493 318 V HA -0.040 4.080 4.120 0.000 0.000 0.292 318 V C 1.289 177.295 176.094 -0.148 0.000 1.016 318 V CA 0.293 62.540 62.300 -0.089 0.000 1.097 318 V CB 0.913 32.687 31.823 -0.083 0.000 0.947 318 V HN 0.481 nan 8.190 nan 0.000 0.479 319 S N 3.019 118.640 115.700 -0.132 0.000 2.515 319 S HA -0.092 4.378 4.470 0.000 0.000 0.231 319 S C 1.123 175.571 174.600 -0.253 0.000 0.987 319 S CA 0.669 58.774 58.200 -0.158 0.000 0.936 319 S CB -0.332 62.815 63.200 -0.089 0.000 0.766 319 S HN 0.928 nan 8.310 nan 0.000 0.528 320 N N 1.062 119.609 118.700 -0.255 0.000 2.234 320 N HA 0.249 4.989 4.740 0.000 0.000 0.227 320 N C -0.336 174.930 175.510 -0.408 0.000 1.151 320 N CA -0.347 52.539 53.050 -0.273 0.000 0.865 320 N CB -0.059 38.374 38.487 -0.089 0.000 1.066 320 N HN 0.433 nan 8.380 nan 0.000 0.515 321 I N 0.911 121.155 120.570 -0.545 0.000 2.433 321 I HA 0.403 4.573 4.170 0.000 0.000 0.292 321 I C -1.019 174.733 176.117 -0.609 0.000 1.001 321 I CA -1.004 60.049 61.300 -0.412 0.000 1.119 321 I CB 1.131 39.029 38.000 -0.171 0.000 1.289 321 I HN -0.158 nan 8.210 nan 0.000 0.438 322 Y N 3.690 124.012 120.300 0.037 0.000 2.602 322 Y HA 0.854 5.405 4.550 0.000 0.000 0.342 322 Y C 0.040 175.971 175.900 0.053 0.000 1.029 322 Y CA -1.100 57.027 58.100 0.045 0.000 1.080 322 Y CB 1.934 40.425 38.460 0.052 0.000 1.284 322 Y HN 0.584 nan 8.280 nan 0.000 0.485 323 A N 1.739 124.690 122.820 0.217 0.000 2.549 323 A HA 0.894 5.214 4.320 0.000 0.000 0.297 323 A C -1.277 176.385 177.584 0.130 0.000 1.061 323 A CA -0.659 51.465 52.037 0.145 0.000 0.690 323 A CB 1.231 20.290 19.000 0.097 0.000 1.287 323 A HN 0.794 nan 8.150 nan 0.000 0.402 324 I N -1.433 119.204 120.570 0.113 0.000 3.264 324 I HA 0.929 5.099 4.170 0.000 0.000 0.315 324 I C 0.668 176.840 176.117 0.092 0.000 1.154 324 I CA -0.390 60.973 61.300 0.104 0.000 0.962 324 I CB 1.749 39.812 38.000 0.106 0.000 1.265 324 I HN 1.891 nan 8.210 nan 0.000 0.463 325 G N 2.400 111.256 108.800 0.094 0.000 2.536 325 G HA2 -0.276 3.684 3.960 0.000 0.000 0.280 325 G HA3 -0.276 3.684 3.960 0.000 0.000 0.280 325 G C 0.050 174.996 174.900 0.076 0.000 1.152 325 G CA 0.895 46.048 45.100 0.088 0.000 0.970 325 G HN 0.800 nan 8.290 nan 0.000 0.549 326 D N -0.427 120.021 120.400 0.081 0.000 2.327 326 D HA 0.242 4.882 4.640 0.000 0.000 0.205 326 D C 2.318 178.664 176.300 0.076 0.000 0.989 326 D CA 0.894 54.942 54.000 0.080 0.000 0.873 326 D CB 0.390 41.251 40.800 0.101 0.000 0.955 326 D HN 0.390 nan 8.370 nan 0.000 0.515 327 V N 1.029 120.991 119.914 0.079 0.000 3.041 327 V HA -0.120 4.000 4.120 0.000 0.000 0.260 327 V C 2.002 178.128 176.094 0.054 0.000 1.105 327 V CA 2.081 64.425 62.300 0.073 0.000 1.125 327 V CB -0.559 31.310 31.823 0.078 0.000 0.730 327 V HN 0.328 nan 8.190 nan 0.000 0.479 328 T N -2.495 112.087 114.554 0.047 0.000 3.085 328 T HA -0.048 4.302 4.350 0.000 0.000 0.263 328 T C 1.245 175.947 174.700 0.004 0.000 1.127 328 T CA 0.678 62.794 62.100 0.025 0.000 1.103 328 T CB -0.493 68.387 68.868 0.019 0.000 0.921 328 T HN 0.472 nan 8.240 nan 0.000 0.510 329 N N 0.855 119.563 118.700 0.014 0.000 2.727 329 N HA -0.170 4.571 4.740 0.000 0.000 0.249 329 N C 0.326 175.817 175.510 -0.032 0.000 1.048 329 N CA 0.539 53.591 53.050 0.004 0.000 0.714 329 N CB -1.045 37.446 38.487 0.006 0.000 0.959 329 N HN 0.628 nan 8.380 nan 0.000 0.544 330 R N -1.091 119.375 120.500 -0.057 0.000 1.357 330 R HA 0.459 4.799 4.340 0.000 0.000 0.099 330 R C 0.094 176.338 176.300 -0.094 0.000 1.519 330 R CA 0.499 56.512 56.100 -0.145 0.000 1.981 330 R CB 0.032 30.162 30.300 -0.282 0.000 1.068 330 R HN 0.008 nan 8.270 nan 0.000 0.638 331 V N 2.443 122.315 119.914 -0.070 0.000 2.432 331 V HA 0.238 4.358 4.120 0.000 0.000 0.275 331 V C 0.118 176.232 176.094 0.033 0.000 1.043 331 V CA 0.064 62.370 62.300 0.011 0.000 0.925 331 V CB 1.398 33.277 31.823 0.093 0.000 0.985 331 V HN 0.466 nan 8.190 nan 0.000 0.466 332 M N 6.402 126.013 119.600 0.019 0.000 3.176 332 M HA 0.390 4.870 4.480 0.000 0.000 0.284 332 M C -1.299 175.025 176.300 0.040 0.000 1.392 332 M CA -0.086 55.239 55.300 0.042 0.000 1.520 332 M CB 0.081 32.712 32.600 0.052 0.000 1.100 332 M HN 0.385 nan 8.290 nan 0.000 0.555 333 L N 0.380 121.637 121.223 0.056 0.000 2.472 333 L HA 0.379 4.719 4.340 0.000 0.000 0.260 333 L C 0.999 177.913 176.870 0.074 0.000 0.963 333 L CA 0.095 54.970 54.840 0.059 0.000 0.829 333 L CB 2.220 44.302 42.059 0.039 0.000 1.348 333 L HN 0.318 nan 8.230 nan 0.000 0.408 334 T N 2.360 116.963 114.554 0.081 0.000 2.652 334 T HA -0.050 4.300 4.350 0.000 0.000 0.267 334 T C -1.308 173.429 174.700 0.061 0.000 1.039 334 T CA 2.070 64.213 62.100 0.073 0.000 1.153 334 T CB -0.602 68.308 68.868 0.070 0.000 0.863 334 T HN 0.585 nan 8.240 nan 0.000 0.428 335 P HA 0.096 nan 4.420 nan 0.000 0.230 335 P C 1.348 178.668 177.300 0.034 0.000 1.158 335 P CA 0.569 63.694 63.100 0.041 0.000 0.769 335 P CB -0.197 31.526 31.700 0.037 0.000 0.807 336 V N 0.582 120.523 119.914 0.046 0.000 2.488 336 V HA -0.085 4.036 4.120 0.000 0.000 0.246 336 V C 2.762 178.898 176.094 0.070 0.000 1.046 336 V CA 1.896 64.225 62.300 0.050 0.000 1.053 336 V CB -1.571 30.311 31.823 0.098 0.000 0.679 336 V HN 0.087 nan 8.190 nan 0.000 0.458 337 A N -0.101 122.767 122.820 0.079 0.000 1.968 337 A HA -0.032 4.288 4.320 0.000 0.000 0.217 337 A C 2.148 179.773 177.584 0.070 0.000 1.169 337 A CA 1.278 53.365 52.037 0.084 0.000 0.638 337 A CB -0.453 18.596 19.000 0.082 0.000 0.812 337 A HN 0.498 nan 8.150 nan 0.000 0.446 338 I N -0.307 120.297 120.570 0.057 0.000 2.439 338 I HA -0.185 3.985 4.170 0.000 0.000 0.251 338 I C 2.420 178.564 176.117 0.046 0.000 1.139 338 I CA 0.863 62.194 61.300 0.051 0.000 1.438 338 I CB -0.255 37.771 38.000 0.042 0.000 1.085 338 I HN 0.405 nan 8.210 nan 0.000 0.427 339 N N 0.842 119.560 118.700 0.031 0.000 2.135 339 N HA -0.159 4.581 4.740 0.000 0.000 0.186 339 N C 1.713 177.233 175.510 0.016 0.000 1.027 339 N CA 1.182 54.239 53.050 0.011 0.000 0.849 339 N CB 0.108 38.578 38.487 -0.028 0.000 1.002 339 N HN 0.362 nan 8.380 nan 0.000 0.425 340 E N 0.699 120.918 120.200 0.031 0.000 2.086 340 E HA -0.210 4.140 4.350 0.000 0.000 0.200 340 E C 1.946 178.584 176.600 0.064 0.000 1.012 340 E CA 1.367 57.802 56.400 0.059 0.000 0.812 340 E CB -0.143 29.624 29.700 0.112 0.000 0.743 340 E HN 0.391 nan 8.360 nan 0.000 0.453 341 A N 1.441 124.303 122.820 0.071 0.000 1.877 341 A HA -0.142 4.178 4.320 0.000 0.000 0.216 341 A C 2.419 180.053 177.584 0.084 0.000 1.186 341 A CA 1.895 53.980 52.037 0.080 0.000 0.620 341 A CB -0.738 18.313 19.000 0.084 0.000 0.822 341 A HN 0.313 nan 8.150 nan 0.000 0.443 342 A N -0.368 122.499 122.820 0.078 0.000 1.933 342 A HA 0.157 4.478 4.320 0.000 0.000 0.218 342 A C 2.400 180.040 177.584 0.093 0.000 1.175 342 A CA 2.112 54.204 52.037 0.091 0.000 0.628 342 A CB -0.846 18.197 19.000 0.072 0.000 0.814 342 A HN 1.116 nan 8.150 nan 0.000 0.444 343 A N -0.951 121.907 122.820 0.064 0.000 2.123 343 A HA 0.230 4.550 4.320 0.000 0.000 0.214 343 A C 2.028 179.643 177.584 0.053 0.000 1.152 343 A CA 0.871 52.943 52.037 0.057 0.000 0.728 343 A CB -0.349 18.666 19.000 0.026 0.000 0.814 343 A HN 0.493 nan 8.150 nan 0.000 0.464 344 L N 0.506 121.752 121.223 0.038 0.000 1.988 344 L HA -0.122 4.218 4.340 0.000 0.000 0.207 344 L C 2.690 179.526 176.870 -0.055 0.000 1.071 344 L CA 2.400 57.222 54.840 -0.030 0.000 0.744 344 L CB -0.482 41.556 42.059 -0.035 0.000 0.893 344 L HN 0.413 nan 8.230 nan 0.000 0.433 345 V N -2.362 117.593 119.914 0.068 0.000 2.407 345 V HA -0.253 3.867 4.120 0.000 0.000 0.248 345 V C 1.963 178.092 176.094 0.060 0.000 1.055 345 V CA 2.157 64.572 62.300 0.191 0.000 1.049 345 V CB -0.935 31.080 31.823 0.320 0.000 0.662 345 V HN 0.349 nan 8.190 nan 0.000 0.455 346 D N 0.500 120.972 120.400 0.121 0.000 2.178 346 D HA -0.096 4.544 4.640 0.000 0.000 0.201 346 D C 2.242 178.536 176.300 -0.009 0.000 0.980 346 D CA 1.923 55.988 54.000 0.107 0.000 0.842 346 D CB -0.299 40.589 40.800 0.146 0.000 0.948 346 D HN 0.561 nan 8.370 nan 0.000 0.472 347 T N -0.875 113.664 114.554 -0.026 0.000 2.770 347 T HA -0.077 4.273 4.350 0.000 0.000 0.258 347 T C 2.068 176.665 174.700 -0.172 0.000 1.039 347 T CA 1.419 63.488 62.100 -0.052 0.000 1.143 347 T CB -0.063 68.816 68.868 0.018 0.000 0.866 347 T HN 0.142 nan 8.240 nan 0.000 0.428 348 V N -1.343 118.398 119.914 -0.287 0.000 2.795 348 V HA 0.266 4.386 4.120 0.000 0.000 0.243 348 V C 1.647 177.371 176.094 -0.617 0.000 1.069 348 V CA 0.898 62.919 62.300 -0.465 0.000 1.089 348 V CB -0.773 30.634 31.823 -0.693 0.000 0.756 348 V HN 0.360 nan 8.190 nan 0.000 0.471 349 F N 2.042 121.765 119.950 -0.378 0.000 2.727 349 F HA 0.664 5.191 4.527 0.000 0.000 0.302 349 F C 1.527 176.819 175.800 -0.846 0.000 1.097 349 F CA 0.335 58.010 58.000 -0.541 0.000 1.330 349 F CB -0.067 38.583 39.000 -0.582 0.000 1.084 349 F HN 0.375 nan 8.300 nan 0.000 0.578 350 G N -0.464 108.021 108.800 -0.525 0.000 2.820 350 G HA2 0.415 4.375 3.960 0.000 0.000 0.291 350 G HA3 0.415 4.375 3.960 0.000 0.000 0.291 350 G C 0.672 175.499 174.900 -0.121 0.000 1.323 350 G CA 0.160 45.055 45.100 -0.342 0.000 1.055 350 G HN 0.090 nan 8.290 nan 0.000 0.520 351 T N -0.257 114.286 114.554 -0.018 0.000 2.673 351 T HA -0.022 4.328 4.350 0.000 0.000 0.248 351 T C 1.230 175.924 174.700 -0.010 0.000 1.080 351 T CA 0.628 62.725 62.100 -0.004 0.000 1.203 351 T CB -0.804 68.083 68.868 0.030 0.000 0.893 351 T HN 0.688 nan 8.240 nan 0.000 0.404 352 N N 4.140 122.851 118.700 0.017 0.000 2.294 352 N HA 0.055 4.795 4.740 0.000 0.000 0.248 352 N C -2.903 172.619 175.510 0.019 0.000 1.242 352 N CA -0.711 52.354 53.050 0.025 0.000 0.848 352 N CB 0.047 38.563 38.487 0.049 0.000 1.084 352 N HN 0.172 nan 8.380 nan 0.000 0.457 353 P HA 0.282 nan 4.420 nan 0.000 0.282 353 P C -0.228 177.174 177.300 0.170 0.000 1.286 353 P CA -0.143 63.015 63.100 0.097 0.000 0.777 353 P CB 0.511 32.239 31.700 0.046 0.000 1.184 354 R N -0.056 120.604 120.500 0.267 0.000 3.170 354 R HA 0.168 4.508 4.340 0.000 0.000 0.257 354 R C -1.290 175.034 176.300 0.040 0.000 1.139 354 R CA -0.482 55.694 56.100 0.127 0.000 1.158 354 R CB 1.186 31.536 30.300 0.084 0.000 1.269 354 R HN 0.598 nan 8.270 nan 0.000 0.459 355 K N 0.845 121.186 120.400 -0.098 0.000 2.375 355 K HA 0.552 4.873 4.320 0.000 0.000 0.249 355 K C -0.461 176.044 176.600 -0.159 0.000 0.942 355 K CA -0.866 55.280 56.287 -0.235 0.000 0.806 355 K CB 2.180 34.367 32.500 -0.521 0.000 1.227 355 K HN 0.162 nan 8.250 nan 0.000 0.430 356 T N 1.515 115.963 114.554 -0.175 0.000 2.884 356 T HA 0.013 4.364 4.350 0.000 0.000 0.298 356 T C -0.598 173.886 174.700 -0.360 0.000 0.998 356 T CA 0.032 61.967 62.100 -0.274 0.000 1.124 356 T CB 0.522 69.162 68.868 -0.380 0.000 0.931 356 T HN 0.487 nan 8.240 nan 0.000 0.531 357 D N 1.398 121.632 120.400 -0.277 0.000 2.365 357 D HA 0.110 4.750 4.640 0.000 0.000 0.237 357 D C 0.595 176.741 176.300 -0.258 0.000 1.190 357 D CA -0.149 53.734 54.000 -0.195 0.000 0.867 357 D CB 0.432 41.170 40.800 -0.103 0.000 1.050 357 D HN 0.572 nan 8.370 nan 0.000 0.491 358 H N 0.825 119.878 119.070 -0.028 0.000 2.547 358 H HA 0.090 4.646 4.556 0.000 0.000 0.266 358 H C 0.646 175.960 175.328 -0.023 0.000 0.988 358 H CA 0.393 56.426 56.048 -0.024 0.000 1.147 358 H CB 0.397 30.145 29.762 -0.024 0.000 1.365 358 H HN 0.303 nan 8.280 nan 0.000 0.589 359 T N -1.262 113.315 114.554 0.039 0.000 2.922 359 T HA 0.233 4.583 4.350 0.000 0.000 0.285 359 T C 0.551 175.249 174.700 -0.004 0.000 1.005 359 T CA -1.022 61.091 62.100 0.022 0.000 1.061 359 T CB 1.339 70.218 68.868 0.019 0.000 1.007 359 T HN 0.219 nan 8.240 nan 0.000 0.502 360 R N -0.451 120.043 120.500 -0.009 0.000 3.651 360 R HA -0.107 4.234 4.340 0.000 0.000 0.292 360 R C -0.531 175.751 176.300 -0.029 0.000 1.161 360 R CA 0.225 56.310 56.100 -0.024 0.000 0.787 360 R CB -3.059 27.229 30.300 -0.020 0.000 1.249 360 R HN 0.646 nan 8.270 nan 0.000 0.476 361 V N 1.088 120.987 119.914 -0.025 0.000 2.427 361 V HA 0.464 4.584 4.120 0.000 0.000 0.268 361 V C 1.318 177.392 176.094 -0.032 0.000 1.046 361 V CA -0.124 62.162 62.300 -0.023 0.000 0.970 361 V CB 1.425 33.243 31.823 -0.009 0.000 1.001 361 V HN 0.411 nan 8.190 nan 0.000 0.476 362 A N 5.234 128.038 122.820 -0.027 0.000 2.388 362 A HA 0.731 5.051 4.320 0.000 0.000 0.257 362 A C 0.499 178.074 177.584 -0.014 0.000 1.095 362 A CA 0.089 52.109 52.037 -0.030 0.000 0.791 362 A CB 0.385 19.372 19.000 -0.020 0.000 1.029 362 A HN 1.105 nan 8.150 nan 0.000 0.489 363 S N -0.170 115.521 115.700 -0.015 0.000 2.671 363 S HA 0.901 5.372 4.470 0.000 0.000 0.277 363 S C -0.630 173.978 174.600 0.014 0.000 1.165 363 S CA -0.201 58.005 58.200 0.009 0.000 0.822 363 S CB 1.580 64.778 63.200 -0.004 0.000 1.150 363 S HN 2.249 nan 8.310 nan 0.000 0.479 364 A N 0.423 123.255 122.820 0.020 0.000 2.520 364 A HA 0.737 5.057 4.320 0.000 0.000 0.298 364 A C -1.285 176.279 177.584 -0.032 0.000 1.051 364 A CA -0.757 51.222 52.037 -0.096 0.000 0.690 364 A CB 1.543 20.328 19.000 -0.358 0.000 1.281 364 A HN 1.105 nan 8.150 nan 0.000 0.402 365 V N 1.715 121.591 119.914 -0.063 0.000 2.394 365 V HA 0.348 4.469 4.120 0.000 0.000 0.282 365 V C -0.583 175.440 176.094 -0.119 0.000 1.031 365 V CA -0.033 62.285 62.300 0.029 0.000 0.881 365 V CB 0.751 32.528 31.823 -0.077 0.000 0.982 365 V HN 0.739 nan 8.190 nan 0.000 0.451 366 F N 3.072 123.039 119.950 0.028 0.000 2.871 366 F HA 0.219 4.746 4.527 0.000 0.000 0.317 366 F C 1.461 177.217 175.800 -0.074 0.000 1.193 366 F CA -0.316 57.668 58.000 -0.027 0.000 1.311 366 F CB -0.128 38.849 39.000 -0.038 0.000 1.380 366 F HN 0.571 nan 8.300 nan 0.000 0.557 367 S N -0.128 115.583 115.700 0.019 0.000 2.634 367 S HA 0.555 5.025 4.470 0.000 0.000 0.261 367 S C -0.149 174.438 174.600 -0.022 0.000 1.271 367 S CA -0.674 57.510 58.200 -0.026 0.000 0.985 367 S CB 1.357 64.518 63.200 -0.065 0.000 0.968 367 S HN 0.264 nan 8.310 nan 0.000 0.568 368 I N 2.139 122.692 120.570 -0.028 0.000 2.405 368 I HA 0.357 4.527 4.170 0.000 0.000 0.280 368 I C -2.466 173.644 176.117 -0.012 0.000 1.027 368 I CA -2.090 59.195 61.300 -0.024 0.000 1.161 368 I CB 1.357 39.338 38.000 -0.032 0.000 1.300 368 I HN 0.459 nan 8.210 nan 0.000 0.463 369 P HA 0.476 nan 4.420 nan 0.000 0.281 369 P C -2.672 174.595 177.300 -0.054 0.000 1.264 369 P CA -1.989 61.093 63.100 -0.029 0.000 0.824 369 P CB 0.352 32.036 31.700 -0.026 0.000 1.092 370 P HA 0.353 nan 4.420 nan 0.000 0.277 370 P C -0.577 176.640 177.300 -0.138 0.000 1.271 370 P CA -0.125 62.900 63.100 -0.125 0.000 0.795 370 P CB 0.849 32.439 31.700 -0.184 0.000 1.101 371 I N -0.712 119.762 120.570 -0.160 0.000 2.545 371 I HA 0.531 4.701 4.170 0.000 0.000 0.292 371 I C 0.288 176.349 176.117 -0.093 0.000 1.040 371 I CA -0.457 60.784 61.300 -0.099 0.000 1.068 371 I CB 2.257 40.230 38.000 -0.044 0.000 1.251 371 I HN 0.352 nan 8.210 nan 0.000 0.424 372 G N 2.457 111.224 108.800 -0.056 0.000 2.566 372 G HA2 0.654 4.614 3.960 0.000 0.000 0.311 372 G HA3 0.654 4.614 3.960 0.000 0.000 0.311 372 G C -1.215 173.687 174.900 0.004 0.000 1.322 372 G CA -0.417 44.660 45.100 -0.040 0.000 0.969 372 G HN 0.472 nan 8.290 nan 0.000 0.490 373 T N -0.834 113.720 114.554 0.001 0.000 2.932 373 T HA 0.559 4.909 4.350 0.000 0.000 0.318 373 T C -1.537 173.096 174.700 -0.111 0.000 1.265 373 T CA -0.510 61.569 62.100 -0.035 0.000 1.036 373 T CB 1.483 70.408 68.868 0.095 0.000 1.209 373 T HN 1.201 nan 8.240 nan 0.000 0.484 374 C N 3.259 122.417 119.300 -0.237 0.000 2.931 374 C HA 0.862 5.322 4.460 0.000 0.000 0.370 374 C C 0.664 175.510 174.990 -0.240 0.000 1.071 374 C CA 1.185 60.093 59.018 -0.182 0.000 1.266 374 C CB 0.197 27.868 27.740 -0.115 0.000 1.691 374 C HN 1.906 nan 8.230 nan 0.000 0.511 375 G N 4.156 112.873 108.800 -0.138 0.000 2.615 375 G HA2 -0.082 3.879 3.960 0.000 0.000 0.218 375 G HA3 -0.082 3.879 3.960 0.000 0.000 0.218 375 G C -1.031 173.845 174.900 -0.041 0.000 1.339 375 G CA -0.280 44.759 45.100 -0.100 0.000 0.884 375 G HN 1.093 nan 8.290 nan 0.000 0.559 376 L N 0.951 122.176 121.223 0.003 0.000 2.371 376 L HA 0.520 4.861 4.340 0.000 0.000 0.272 376 L C 1.360 178.325 176.870 0.159 0.000 1.124 376 L CA -0.671 54.204 54.840 0.058 0.000 0.816 376 L CB 0.946 43.034 42.059 0.049 0.000 1.129 376 L HN 0.661 nan 8.230 nan 0.000 0.448 377 I N -0.908 119.709 120.570 0.079 0.000 2.519 377 I HA 0.154 4.325 4.170 0.000 0.000 0.287 377 I C 1.148 177.241 176.117 -0.039 0.000 1.047 377 I CA -0.467 60.815 61.300 -0.030 0.000 1.381 377 I CB 0.809 38.727 38.000 -0.136 0.000 1.417 377 I HN 0.753 nan 8.210 nan 0.000 0.540 378 E N 3.232 123.393 120.200 -0.065 0.000 2.246 378 E HA -0.348 4.002 4.350 0.000 0.000 0.232 378 E C 1.549 178.014 176.600 -0.225 0.000 1.087 378 E CA 2.934 59.264 56.400 -0.116 0.000 0.964 378 E CB 0.008 29.686 29.700 -0.036 0.000 0.827 378 E HN 0.883 nan 8.360 nan 0.000 0.476 379 E N -1.026 119.089 120.200 -0.142 0.000 2.478 379 E HA -0.093 4.257 4.350 0.000 0.000 0.198 379 E C 1.628 178.174 176.600 -0.091 0.000 1.046 379 E CA 0.810 57.131 56.400 -0.132 0.000 0.870 379 E CB 0.396 30.085 29.700 -0.019 0.000 0.818 379 E HN 0.196 nan 8.360 nan 0.000 0.527 380 V N -0.325 119.551 119.914 -0.062 0.000 2.788 380 V HA 0.110 4.231 4.120 0.000 0.000 0.241 380 V C 2.080 178.183 176.094 0.015 0.000 1.083 380 V CA 0.997 63.286 62.300 -0.018 0.000 1.103 380 V CB -0.261 31.563 31.823 0.001 0.000 0.800 380 V HN 0.274 nan 8.190 nan 0.000 0.476 381 A N 1.554 124.395 122.820 0.035 0.000 1.933 381 A HA -0.183 4.137 4.320 0.000 0.000 0.218 381 A C 2.427 180.105 177.584 0.157 0.000 1.175 381 A CA 2.142 54.282 52.037 0.171 0.000 0.628 381 A CB -0.723 18.329 19.000 0.088 0.000 0.814 381 A HN 0.670 nan 8.150 nan 0.000 0.444 382 S N -0.183 115.493 115.700 -0.040 0.000 2.469 382 S HA -0.118 4.352 4.470 0.000 0.000 0.238 382 S C 1.560 176.174 174.600 0.024 0.000 0.998 382 S CA 1.448 59.615 58.200 -0.055 0.000 0.957 382 S CB -0.224 62.763 63.200 -0.356 0.000 0.764 382 S HN 0.660 nan 8.310 nan 0.000 0.514 383 K N 0.276 120.681 120.400 0.008 0.000 2.356 383 K HA 0.249 4.569 4.320 0.000 0.000 0.195 383 K C 2.120 178.702 176.600 -0.030 0.000 1.037 383 K CA 0.199 56.487 56.287 0.001 0.000 1.014 383 K CB 0.106 32.601 32.500 -0.008 0.000 0.815 383 K HN 0.198 nan 8.250 nan 0.000 0.507 384 R N -0.811 119.662 120.500 -0.044 0.000 2.206 384 R HA 0.133 4.473 4.340 0.000 0.000 0.198 384 R C -0.174 175.825 176.300 -0.501 0.000 0.986 384 R CA 0.600 56.538 56.100 -0.270 0.000 1.029 384 R CB 0.422 30.525 30.300 -0.329 0.000 0.966 384 R HN 0.008 nan 8.270 nan 0.000 0.487 385 Y N -0.925 119.389 120.300 0.024 0.000 2.536 385 Y HA 0.241 4.791 4.550 0.000 0.000 0.347 385 Y C 1.077 177.015 175.900 0.063 0.000 1.000 385 Y CA -1.104 57.022 58.100 0.042 0.000 1.051 385 Y CB 1.691 40.181 38.460 0.049 0.000 1.259 385 Y HN -0.173 nan 8.280 nan 0.000 0.468 386 E N 0.644 120.969 120.200 0.207 0.000 2.051 386 E HA 0.015 4.365 4.350 0.000 0.000 0.189 386 E C -0.560 176.150 176.600 0.184 0.000 0.979 386 E CA 0.681 57.171 56.400 0.151 0.000 0.803 386 E CB 0.527 30.294 29.700 0.111 0.000 0.761 386 E HN 0.322 nan 8.360 nan 0.000 0.451 387 V N 1.304 121.350 119.914 0.220 0.000 2.577 387 V HA 0.450 4.570 4.120 0.000 0.000 0.303 387 V C -1.144 175.128 176.094 0.297 0.000 1.042 387 V CA -0.725 61.730 62.300 0.258 0.000 0.872 387 V CB 1.775 33.748 31.823 0.249 0.000 0.998 387 V HN -0.037 nan 8.190 nan 0.000 0.423 388 V N 6.078 126.165 119.914 0.289 0.000 2.628 388 V HA 0.896 5.016 4.120 0.000 0.000 0.306 388 V C 0.314 176.495 176.094 0.145 0.000 1.045 388 V CA -0.101 62.323 62.300 0.207 0.000 0.905 388 V CB 1.855 33.774 31.823 0.161 0.000 0.997 388 V HN 1.156 nan 8.190 nan 0.000 0.436 389 A N 3.970 126.797 122.820 0.010 0.000 2.318 389 A HA 0.847 5.167 4.320 0.000 0.000 0.324 389 A C -0.888 176.579 177.584 -0.196 0.000 1.170 389 A CA -0.525 51.332 52.037 -0.300 0.000 0.810 389 A CB 1.469 20.236 19.000 -0.388 0.000 1.198 389 A HN 0.671 nan 8.150 nan 0.000 0.484 390 V N 3.075 122.691 119.914 -0.496 0.000 2.384 390 V HA 0.347 4.467 4.120 0.000 0.000 0.287 390 V C -1.279 174.603 176.094 -0.354 0.000 1.020 390 V CA -0.420 61.656 62.300 -0.374 0.000 0.850 390 V CB 0.666 32.061 31.823 -0.713 0.000 0.987 390 V HN 0.716 nan 8.190 nan 0.000 0.436 391 Y N 4.941 125.099 120.300 -0.236 0.000 2.335 391 Y HA 0.639 5.190 4.550 0.000 0.000 0.339 391 Y C -0.027 175.849 175.900 -0.040 0.000 0.987 391 Y CA -1.120 56.900 58.100 -0.133 0.000 1.140 391 Y CB 1.396 39.809 38.460 -0.078 0.000 1.173 391 Y HN 0.391 nan 8.280 nan 0.000 0.486 392 L N 3.136 124.434 121.223 0.124 0.000 2.385 392 L HA 0.672 5.012 4.340 0.000 0.000 0.273 392 L C -1.041 175.929 176.870 0.167 0.000 0.990 392 L CA -0.256 54.672 54.840 0.146 0.000 0.821 392 L CB 2.136 44.289 42.059 0.155 0.000 1.279 392 L HN 0.613 nan 8.230 nan 0.000 0.412 393 S N 2.873 118.696 115.700 0.205 0.000 2.736 393 S HA 0.712 5.182 4.470 0.000 0.000 0.285 393 S C -1.196 173.590 174.600 0.309 0.000 1.163 393 S CA -0.287 58.077 58.200 0.274 0.000 1.025 393 S CB 1.143 64.543 63.200 0.334 0.000 1.030 393 S HN 0.682 nan 8.310 nan 0.000 0.486 394 S N 4.359 120.227 115.700 0.280 0.000 2.521 394 S HA 0.895 5.365 4.470 0.000 0.000 0.295 394 S C -1.086 173.685 174.600 0.285 0.000 1.098 394 S CA -0.715 57.594 58.200 0.181 0.000 0.999 394 S CB 0.950 64.208 63.200 0.097 0.000 1.034 394 S HN 0.756 nan 8.310 nan 0.000 0.483 395 F N -1.665 118.389 119.950 0.174 0.000 2.665 395 F HA 0.590 5.118 4.527 0.000 0.000 0.308 395 F C -0.742 175.148 175.800 0.150 0.000 1.112 395 F CA -0.938 57.144 58.000 0.137 0.000 0.972 395 F CB 0.491 39.561 39.000 0.116 0.000 1.295 395 F HN 0.293 nan 8.300 nan 0.000 0.440 396 T N 3.802 118.476 114.554 0.200 0.000 2.737 396 T HA 0.384 4.734 4.350 0.000 0.000 0.296 396 T C -2.526 172.355 174.700 0.300 0.000 0.922 396 T CA -0.848 61.348 62.100 0.160 0.000 1.079 396 T CB 0.504 69.447 68.868 0.125 0.000 0.892 396 T HN 0.323 nan 8.240 nan 0.000 0.514 397 P HA 0.094 nan 4.420 nan 0.000 0.268 397 P C 1.248 178.666 177.300 0.197 0.000 1.205 397 P CA -0.471 62.828 63.100 0.331 0.000 0.771 397 P CB 0.571 32.431 31.700 0.265 0.000 0.858 398 L N 3.126 124.431 121.223 0.137 0.000 2.013 398 L HA -0.219 4.122 4.340 0.000 0.000 0.212 398 L C 1.988 178.897 176.870 0.066 0.000 1.073 398 L CA 2.382 57.271 54.840 0.082 0.000 0.753 398 L CB -0.556 41.532 42.059 0.048 0.000 0.890 398 L HN 0.509 nan 8.230 nan 0.000 0.432 399 M N -2.198 117.431 119.600 0.049 0.000 2.346 399 M HA -0.218 4.262 4.480 0.000 0.000 0.263 399 M C 1.539 177.844 176.300 0.009 0.000 1.064 399 M CA 1.747 57.090 55.300 0.072 0.000 1.083 399 M CB -0.566 32.021 32.600 -0.022 0.000 1.399 399 M HN 0.124 nan 8.290 nan 0.000 0.435 400 H N -0.069 119.073 119.070 0.120 0.000 2.622 400 H HA 0.265 4.821 4.556 0.000 0.000 0.269 400 H C 0.954 176.297 175.328 0.024 0.000 0.977 400 H CA 0.600 56.685 56.048 0.062 0.000 1.179 400 H CB -0.159 29.609 29.762 0.010 0.000 1.458 400 H HN 0.620 nan 8.280 nan 0.000 0.531 401 N N 0.667 119.444 118.700 0.130 0.000 2.135 401 N HA -0.060 4.680 4.740 0.000 0.000 0.186 401 N C 1.920 177.446 175.510 0.027 0.000 1.027 401 N CA 1.233 54.325 53.050 0.070 0.000 0.849 401 N CB 0.147 38.666 38.487 0.054 0.000 1.002 401 N HN 0.347 nan 8.380 nan 0.000 0.425 402 I N -1.265 119.295 120.570 -0.016 0.000 3.428 402 I HA 0.099 4.269 4.170 0.000 0.000 0.286 402 I C 1.789 177.819 176.117 -0.146 0.000 1.287 402 I CA 0.506 61.723 61.300 -0.137 0.000 1.396 402 I CB -0.176 37.647 38.000 -0.296 0.000 1.062 402 I HN 0.074 nan 8.210 nan 0.000 0.471 403 S N 1.061 116.799 115.700 0.063 0.000 2.421 403 S HA 0.301 4.771 4.470 0.000 0.000 0.224 403 S C 1.782 176.472 174.600 0.150 0.000 1.035 403 S CA 0.812 59.148 58.200 0.226 0.000 0.953 403 S CB 0.116 63.564 63.200 0.413 0.000 0.810 403 S HN 0.698 nan 8.310 nan 0.000 0.497 404 G N 0.190 109.053 108.800 0.105 0.000 2.255 404 G HA2 -0.164 3.796 3.960 0.000 0.000 0.196 404 G HA3 -0.164 3.796 3.960 0.000 0.000 0.196 404 G C 0.316 175.222 174.900 0.010 0.000 0.998 404 G CA 0.041 45.178 45.100 0.062 0.000 0.656 404 G HN 0.628 nan 8.290 nan 0.000 0.490 405 S N 1.366 117.019 115.700 -0.079 0.000 3.812 405 S HA 0.298 4.768 4.470 0.000 0.000 0.195 405 S C 1.409 175.721 174.600 -0.479 0.000 1.460 405 S CA 0.144 58.041 58.200 -0.505 0.000 1.052 405 S CB 0.628 63.389 63.200 -0.732 0.000 1.385 405 S HN 0.556 nan 8.310 nan 0.000 0.490 406 K N 0.736 121.037 120.400 -0.164 0.000 2.280 406 K HA -0.160 4.160 4.320 0.000 0.000 0.202 406 K C 1.458 178.036 176.600 -0.036 0.000 1.047 406 K CA 1.236 57.499 56.287 -0.040 0.000 0.942 406 K CB -0.481 32.044 32.500 0.043 0.000 0.739 406 K HN 0.758 nan 8.250 nan 0.000 0.457 407 Y N 0.715 121.007 120.300 -0.014 0.000 2.497 407 Y HA 0.053 4.603 4.550 0.000 0.000 0.292 407 Y C 0.058 175.924 175.900 -0.057 0.000 1.137 407 Y CA 0.028 58.111 58.100 -0.028 0.000 1.285 407 Y CB -0.459 37.982 38.460 -0.031 0.000 0.991 407 Y HN -0.228 nan 8.280 nan 0.000 0.556 408 K N 2.675 122.877 120.400 -0.329 0.000 2.110 408 K HA 0.144 4.464 4.320 0.000 0.000 0.260 408 K C -0.378 176.151 176.600 -0.118 0.000 1.126 408 K CA 0.079 56.198 56.287 -0.280 0.000 1.005 408 K CB -0.058 32.031 32.500 -0.686 0.000 1.336 408 K HN 0.196 nan 8.250 nan 0.000 0.369 409 T N 2.117 116.643 114.554 -0.046 0.000 2.909 409 T HA 0.181 4.531 4.350 0.000 0.000 0.289 409 T C -0.410 174.228 174.700 -0.103 0.000 1.005 409 T CA -0.341 61.722 62.100 -0.062 0.000 1.084 409 T CB 0.492 69.340 68.868 -0.033 0.000 0.975 409 T HN 0.257 nan 8.240 nan 0.000 0.509 410 F N 3.298 122.996 119.950 -0.419 0.000 2.385 410 F HA 0.536 5.064 4.527 0.000 0.000 0.360 410 F C -0.614 174.965 175.800 -0.369 0.000 1.122 410 F CA -0.770 56.955 58.000 -0.459 0.000 1.090 410 F CB 0.677 39.197 39.000 -0.799 0.000 1.150 410 F HN 0.218 nan 8.300 nan 0.000 0.472 411 V N 5.849 125.465 119.914 -0.497 0.000 2.398 411 V HA 0.755 4.875 4.120 0.000 0.000 0.286 411 V C -0.276 175.650 176.094 -0.280 0.000 1.026 411 V CA -0.641 61.518 62.300 -0.235 0.000 0.868 411 V CB 1.183 32.922 31.823 -0.140 0.000 0.982 411 V HN 0.907 nan 8.190 nan 0.000 0.443 412 A N 5.341 128.183 122.820 0.036 0.000 2.357 412 A HA 0.760 5.080 4.320 0.000 0.000 0.295 412 A C -0.571 177.104 177.584 0.152 0.000 1.121 412 A CA -0.677 51.440 52.037 0.134 0.000 0.742 412 A CB 1.042 20.281 19.000 0.399 0.000 1.181 412 A HN 0.709 nan 8.150 nan 0.000 0.454 413 K N 2.458 122.933 120.400 0.125 0.000 2.378 413 K HA 0.738 5.058 4.320 0.000 0.000 0.252 413 K C -1.577 175.083 176.600 0.101 0.000 0.931 413 K CA -0.510 55.859 56.287 0.138 0.000 0.794 413 K CB 1.546 34.140 32.500 0.156 0.000 1.181 413 K HN 0.703 nan 8.250 nan 0.000 0.425 414 I N 6.070 126.672 120.570 0.053 0.000 2.468 414 I HA 0.282 4.452 4.170 0.000 0.000 0.284 414 I C -0.326 175.761 176.117 -0.049 0.000 1.038 414 I CA -1.003 60.236 61.300 -0.103 0.000 1.083 414 I CB 1.380 39.181 38.000 -0.331 0.000 1.223 414 I HN 0.539 nan 8.210 nan 0.000 0.443 415 I N 2.975 123.522 120.570 -0.039 0.000 2.437 415 I HA 0.696 4.866 4.170 0.000 0.000 0.298 415 I C -0.340 175.719 176.117 -0.096 0.000 0.984 415 I CA 0.217 61.507 61.300 -0.017 0.000 1.214 415 I CB 2.031 40.043 38.000 0.020 0.000 1.365 415 I HN 0.353 nan 8.210 nan 0.000 0.469 416 T N 4.109 118.631 114.554 -0.054 0.000 2.893 416 T HA 0.324 4.674 4.350 0.000 0.000 0.293 416 T C -0.682 173.974 174.700 -0.075 0.000 1.027 416 T CA -0.553 61.498 62.100 -0.081 0.000 0.988 416 T CB 1.052 69.931 68.868 0.018 0.000 1.043 416 T HN 0.786 nan 8.240 nan 0.000 0.461 417 N N 1.791 120.374 118.700 -0.195 0.000 2.406 417 N HA 0.045 4.786 4.740 0.000 0.000 0.265 417 N C 0.810 176.352 175.510 0.053 0.000 1.203 417 N CA 0.250 53.190 53.050 -0.184 0.000 0.945 417 N CB 0.479 38.736 38.487 -0.383 0.000 1.165 417 N HN 0.631 nan 8.380 nan 0.000 0.485 418 H N 2.055 121.155 119.070 0.049 0.000 2.521 418 H HA 0.078 4.634 4.556 0.000 0.000 0.286 418 H C 0.983 176.367 175.328 0.094 0.000 1.034 418 H CA 1.331 57.447 56.048 0.113 0.000 1.278 418 H CB 0.353 30.232 29.762 0.196 0.000 1.386 418 H HN 0.540 nan 8.280 nan 0.000 0.567 419 S N -0.450 115.294 115.700 0.073 0.000 2.555 419 S HA -0.062 4.408 4.470 0.000 0.000 0.230 419 S C 1.010 175.599 174.600 -0.018 0.000 0.978 419 S CA 0.975 59.181 58.200 0.011 0.000 0.934 419 S CB 0.169 63.417 63.200 0.081 0.000 0.766 419 S HN 0.848 nan 8.310 nan 0.000 0.533 420 D N -2.011 118.380 120.400 -0.014 0.000 2.184 420 D HA 0.072 4.712 4.640 0.000 0.000 0.508 420 D C 0.999 177.292 176.300 -0.012 0.000 0.947 420 D CA 0.807 54.799 54.000 -0.012 0.000 1.032 420 D CB -0.348 40.456 40.800 0.007 0.000 1.460 420 D HN 0.388 nan 8.370 nan 0.000 0.467 421 G N 1.179 109.976 108.800 -0.004 0.000 2.176 421 G HA2 -0.235 3.725 3.960 0.000 0.000 0.232 421 G HA3 -0.235 3.725 3.960 0.000 0.000 0.232 421 G C 0.403 175.267 174.900 -0.060 0.000 0.986 421 G CA 0.359 45.460 45.100 0.001 0.000 0.643 421 G HN 0.783 nan 8.290 nan 0.000 0.522 422 T N 0.050 114.561 114.554 -0.072 0.000 2.829 422 T HA 0.464 4.814 4.350 0.000 0.000 0.293 422 T C 0.677 175.280 174.700 -0.163 0.000 0.970 422 T CA -0.096 61.944 62.100 -0.100 0.000 1.168 422 T CB 2.052 70.873 68.868 -0.079 0.000 0.911 422 T HN 0.840 nan 8.240 nan 0.000 0.535 423 V N 5.745 125.543 119.914 -0.193 0.000 2.493 423 V HA 0.028 4.148 4.120 0.000 0.000 0.292 423 V C 1.454 177.422 176.094 -0.209 0.000 1.016 423 V CA 0.117 62.253 62.300 -0.274 0.000 1.097 423 V CB -0.293 31.276 31.823 -0.424 0.000 0.947 423 V HN 0.883 nan 8.190 nan 0.000 0.479 424 L N 4.171 125.265 121.223 -0.215 0.000 2.253 424 L HA 0.425 4.766 4.340 0.000 0.000 0.205 424 L C 1.110 177.902 176.870 -0.131 0.000 1.078 424 L CA 0.886 55.620 54.840 -0.176 0.000 0.805 424 L CB -0.031 41.893 42.059 -0.224 0.000 0.963 424 L HN 0.777 nan 8.230 nan 0.000 0.459 425 G N -0.398 108.310 108.800 -0.153 0.000 2.768 425 G HA2 0.527 4.487 3.960 0.000 0.000 0.297 425 G HA3 0.527 4.487 3.960 0.000 0.000 0.297 425 G C -1.751 172.958 174.900 -0.319 0.000 1.430 425 G CA -0.296 44.677 45.100 -0.211 0.000 1.030 425 G HN -0.252 nan 8.290 nan 0.000 0.553 426 V N 2.824 122.460 119.914 -0.464 0.000 2.581 426 V HA 0.671 4.791 4.120 0.000 0.000 0.303 426 V C -0.677 175.047 176.094 -0.617 0.000 1.041 426 V CA -0.818 61.266 62.300 -0.360 0.000 0.907 426 V CB 1.806 33.536 31.823 -0.155 0.000 0.994 426 V HN 0.788 nan 8.190 nan 0.000 0.442 427 H N 4.906 123.965 119.070 -0.018 0.000 2.877 427 H HA 0.641 5.197 4.556 0.000 0.000 0.347 427 H C -1.411 173.891 175.328 -0.043 0.000 1.042 427 H CA -0.551 55.486 56.048 -0.019 0.000 1.276 427 H CB 2.136 31.892 29.762 -0.010 0.000 1.681 427 H HN 0.498 nan 8.280 nan 0.000 0.521 428 L N 1.908 123.140 121.223 0.014 0.000 2.422 428 L HA 0.551 4.891 4.340 0.000 0.000 0.264 428 L C -0.968 175.769 176.870 -0.222 0.000 0.984 428 L CA -1.106 53.636 54.840 -0.164 0.000 0.819 428 L CB 2.126 44.075 42.059 -0.183 0.000 1.330 428 L HN 0.302 nan 8.230 nan 0.000 0.410 429 L N 1.474 122.465 121.223 -0.388 0.000 2.362 429 L HA 1.101 5.441 4.340 0.000 0.000 0.275 429 L C -0.075 176.514 176.870 -0.469 0.000 0.998 429 L CA 0.337 54.990 54.840 -0.312 0.000 0.820 429 L CB 1.584 43.523 42.059 -0.199 0.000 1.270 429 L HN 0.981 nan 8.230 nan 0.000 0.415 430 G N 2.454 111.113 108.800 -0.236 0.000 2.333 430 G HA2 0.089 4.049 3.960 0.000 0.000 0.330 430 G HA3 0.089 4.049 3.960 0.000 0.000 0.330 430 G C -1.829 173.125 174.900 0.089 0.000 1.465 430 G CA -0.875 44.194 45.100 -0.052 0.000 0.996 430 G HN 0.696 nan 8.290 nan 0.000 0.655 431 D N 1.002 121.504 120.400 0.171 0.000 2.493 431 D HA 0.201 4.842 4.640 0.000 0.000 0.240 431 D C 0.914 177.315 176.300 0.170 0.000 1.142 431 D CA 0.849 54.937 54.000 0.147 0.000 0.872 431 D CB 0.573 41.480 40.800 0.179 0.000 1.173 431 D HN 0.526 nan 8.370 nan 0.000 0.467 432 N N 0.506 119.269 118.700 0.105 0.000 2.948 432 N HA -0.227 4.513 4.740 0.000 0.000 0.239 432 N C 1.030 176.596 175.510 0.095 0.000 0.954 432 N CA 0.898 54.005 53.050 0.095 0.000 0.941 432 N CB -1.302 37.247 38.487 0.104 0.000 1.101 432 N HN 0.545 nan 8.380 nan 0.000 0.579 433 A N 0.466 123.326 122.820 0.067 0.000 1.892 433 A HA -0.088 4.232 4.320 0.000 0.000 0.218 433 A C -0.256 177.313 177.584 -0.025 0.000 1.188 433 A CA 2.201 54.250 52.037 0.021 0.000 0.631 433 A CB -1.148 17.810 19.000 -0.069 0.000 0.822 433 A HN 0.356 nan 8.150 nan 0.000 0.447 434 P HA -0.113 nan 4.420 nan 0.000 0.217 434 P C 1.225 178.515 177.300 -0.017 0.000 1.150 434 P CA 1.116 64.145 63.100 -0.118 0.000 0.832 434 P CB -0.018 31.510 31.700 -0.286 0.000 0.787 435 E N -0.364 119.846 120.200 0.016 0.000 2.072 435 E HA -0.094 4.256 4.350 0.000 0.000 0.191 435 E C 2.146 178.766 176.600 0.035 0.000 0.985 435 E CA 0.979 57.401 56.400 0.036 0.000 0.801 435 E CB -0.763 28.962 29.700 0.043 0.000 0.750 435 E HN 0.332 nan 8.360 nan 0.000 0.452 436 I N 0.742 121.342 120.570 0.051 0.000 2.226 436 I HA -0.244 3.926 4.170 0.000 0.000 0.245 436 I C 2.429 178.575 176.117 0.050 0.000 1.100 436 I CA 0.611 61.951 61.300 0.066 0.000 1.374 436 I CB -0.206 37.870 38.000 0.127 0.000 1.057 436 I HN 0.026 nan 8.210 nan 0.000 0.413 437 I N 0.553 121.144 120.570 0.035 0.000 2.700 437 I HA -0.245 3.925 4.170 0.000 0.000 0.261 437 I C 2.433 178.557 176.117 0.012 0.000 1.219 437 I CA 1.413 62.724 61.300 0.019 0.000 1.463 437 I CB -0.533 37.464 38.000 -0.005 0.000 1.092 437 I HN 0.232 nan 8.210 nan 0.000 0.452 438 Q N 0.154 119.961 119.800 0.012 0.000 2.046 438 Q HA -0.100 4.240 4.340 0.000 0.000 0.200 438 Q C 2.220 178.220 176.000 0.000 0.000 0.975 438 Q CA 1.679 57.487 55.803 0.008 0.000 0.836 438 Q CB -0.702 28.043 28.738 0.013 0.000 0.896 438 Q HN 0.576 nan 8.270 nan 0.000 0.428 439 G N -0.275 108.523 108.800 -0.004 0.000 2.432 439 G HA2 -0.154 3.806 3.960 0.000 0.000 0.219 439 G HA3 -0.154 3.806 3.960 0.000 0.000 0.219 439 G C 1.495 176.380 174.900 -0.024 0.000 1.135 439 G CA 0.804 45.890 45.100 -0.023 0.000 0.767 439 G HN 0.277 nan 8.290 nan 0.000 0.550 440 V N 1.223 121.141 119.914 0.006 0.000 2.667 440 V HA 0.015 4.135 4.120 0.000 0.000 0.252 440 V C 2.985 179.105 176.094 0.043 0.000 1.065 440 V CA 1.590 63.922 62.300 0.055 0.000 1.083 440 V CB -0.387 31.497 31.823 0.102 0.000 0.692 440 V HN 0.424 nan 8.190 nan 0.000 0.468 441 G N 0.129 108.936 108.800 0.011 0.000 2.408 441 G HA2 -0.165 3.795 3.960 0.000 0.000 0.217 441 G HA3 -0.165 3.795 3.960 0.000 0.000 0.217 441 G C 1.522 176.420 174.900 -0.002 0.000 1.150 441 G CA 0.743 45.842 45.100 -0.002 0.000 0.776 441 G HN 0.507 nan 8.290 nan 0.000 0.542 442 I N 0.283 120.849 120.570 -0.007 0.000 2.252 442 I HA -0.147 4.023 4.170 0.000 0.000 0.245 442 I C 2.781 178.893 176.117 -0.009 0.000 1.102 442 I CA 0.318 61.610 61.300 -0.013 0.000 1.385 442 I CB -0.416 37.571 38.000 -0.022 0.000 1.064 442 I HN 0.155 nan 8.210 nan 0.000 0.414 443 C N 0.593 119.889 119.300 -0.006 0.000 2.413 443 C HA -0.179 4.281 4.460 0.000 0.000 0.277 443 C C 2.727 177.750 174.990 0.055 0.000 1.228 443 C CA 0.697 59.724 59.018 0.015 0.000 1.731 443 C CB -0.925 26.833 27.740 0.031 0.000 2.042 443 C HN 0.428 nan 8.230 nan 0.000 0.468 444 L N 0.639 121.897 121.223 0.059 0.000 2.131 444 L HA -0.088 4.252 4.340 0.000 0.000 0.210 444 L C 2.285 179.160 176.870 0.008 0.000 1.092 444 L CA 1.738 56.595 54.840 0.029 0.000 0.759 444 L CB -0.616 41.445 42.059 0.002 0.000 0.903 444 L HN 0.316 nan 8.230 nan 0.000 0.435 445 K N -1.054 119.347 120.400 0.003 0.000 2.487 445 K HA 0.084 4.404 4.320 0.000 0.000 0.192 445 K C 1.572 178.171 176.600 -0.002 0.000 1.027 445 K CA 0.166 56.451 56.287 -0.004 0.000 1.054 445 K CB 0.146 32.640 32.500 -0.010 0.000 0.824 445 K HN 0.274 nan 8.250 nan 0.000 0.510 446 L N 0.556 121.780 121.223 0.002 0.000 2.567 446 L HA 0.069 4.409 4.340 0.000 0.000 0.225 446 L C -0.309 176.563 176.870 0.004 0.000 1.119 446 L CA -0.048 54.792 54.840 -0.001 0.000 0.871 446 L CB -0.003 42.051 42.059 -0.007 0.000 1.036 446 L HN 0.254 nan 8.230 nan 0.000 0.459 447 N N 0.627 119.333 118.700 0.010 0.000 2.771 447 N HA -0.133 4.607 4.740 0.000 0.000 0.249 447 N C 0.139 175.657 175.510 0.013 0.000 1.069 447 N CA 0.729 53.783 53.050 0.006 0.000 0.688 447 N CB -1.005 37.483 38.487 0.003 0.000 0.928 447 N HN 0.309 nan 8.380 nan 0.000 0.551 448 A N 0.355 123.203 122.820 0.047 0.000 2.498 448 A HA 0.342 4.662 4.320 0.000 0.000 0.239 448 A C 0.819 178.425 177.584 0.036 0.000 1.068 448 A CA 0.398 52.489 52.037 0.091 0.000 0.766 448 A CB 0.614 19.780 19.000 0.277 0.000 1.003 448 A HN 0.257 nan 8.150 nan 0.000 0.497 449 K N 0.895 121.301 120.400 0.011 0.000 2.090 449 K HA 0.377 4.697 4.320 0.000 0.000 0.249 449 K C 1.052 177.594 176.600 -0.097 0.000 0.995 449 K CA -0.491 55.761 56.287 -0.058 0.000 0.914 449 K CB 0.797 33.258 32.500 -0.065 0.000 1.057 449 K HN 0.549 nan 8.250 nan 0.000 0.462 450 I N 1.268 121.716 120.570 -0.203 0.000 2.361 450 I HA -0.268 3.902 4.170 0.000 0.000 0.251 450 I C 1.677 177.527 176.117 -0.446 0.000 1.133 450 I CA 1.687 62.803 61.300 -0.306 0.000 1.413 450 I CB -0.398 37.422 38.000 -0.299 0.000 1.073 450 I HN 0.751 nan 8.210 nan 0.000 0.424 451 S N 1.126 116.514 115.700 -0.521 0.000 2.356 451 S HA -0.228 4.242 4.470 0.000 0.000 0.223 451 S C 1.585 175.739 174.600 -0.743 0.000 1.032 451 S CA 1.362 58.955 58.200 -1.012 0.000 1.005 451 S CB -1.131 61.841 63.200 -0.379 0.000 0.867 451 S HN 0.677 nan 8.310 nan 0.000 0.449 452 D N -0.531 119.695 120.400 -0.290 0.000 2.324 452 D HA 0.167 4.808 4.640 0.000 0.000 0.235 452 D C 0.923 177.185 176.300 -0.064 0.000 1.095 452 D CA -0.068 53.843 54.000 -0.148 0.000 0.871 452 D CB -0.462 40.287 40.800 -0.084 0.000 0.906 452 D HN 0.416 nan 8.370 nan 0.000 0.522 453 F N 0.602 120.395 119.950 -0.261 0.000 2.104 453 F HA 0.010 4.538 4.527 0.001 0.000 0.288 453 F C 1.821 177.583 175.800 -0.065 0.000 1.107 453 F CA 0.547 58.461 58.000 -0.143 0.000 1.208 453 F CB -0.772 38.153 39.000 -0.125 0.000 1.033 453 F HN 0.020 nan 8.300 nan 0.000 0.478 454 Y N -1.151 119.258 120.300 0.181 0.000 2.639 454 Y HA 0.051 4.601 4.550 0.000 0.000 0.297 454 Y C 1.338 177.273 175.900 0.058 0.000 1.151 454 Y CA 0.596 58.757 58.100 0.102 0.000 1.335 454 Y CB -1.988 36.527 38.460 0.092 0.000 0.994 454 Y HN 0.152 nan 8.280 nan 0.000 0.548 455 N N -0.286 118.473 118.700 0.099 0.000 2.412 455 N HA 0.016 4.756 4.740 0.000 0.000 0.184 455 N C -0.334 175.196 175.510 0.032 0.000 1.101 455 N CA 0.181 53.281 53.050 0.085 0.000 0.881 455 N CB 0.206 38.685 38.487 -0.013 0.000 0.969 455 N HN 0.209 nan 8.380 nan 0.000 0.459 456 T N 1.053 115.611 114.554 0.006 0.000 2.856 456 T HA 0.276 4.626 4.350 0.000 0.000 0.292 456 T C 0.438 175.138 174.700 0.001 0.000 0.980 456 T CA -0.296 61.789 62.100 -0.025 0.000 1.091 456 T CB 1.671 70.487 68.868 -0.085 0.000 0.936 456 T HN 0.009 nan 8.240 nan 0.000 0.503 457 I N 2.663 123.229 120.570 -0.007 0.000 2.533 457 I HA 0.245 4.415 4.170 0.000 0.000 0.284 457 I C 1.414 177.528 176.117 -0.005 0.000 1.109 457 I CA -0.181 61.117 61.300 -0.002 0.000 1.412 457 I CB 0.445 38.442 38.000 -0.006 0.000 1.396 457 I HN 0.708 nan 8.210 nan 0.000 0.543 458 G N 5.467 114.268 108.800 0.002 0.000 2.606 458 G HA2 0.374 4.334 3.960 0.000 0.000 0.252 458 G HA3 0.374 4.334 3.960 0.000 0.000 0.252 458 G C -0.432 174.483 174.900 0.024 0.000 1.206 458 G CA -0.412 44.696 45.100 0.013 0.000 0.861 458 G HN 0.398 nan 8.290 nan 0.000 0.561 459 V N 1.859 121.793 119.914 0.033 0.000 2.318 459 V HA 0.216 4.336 4.120 0.000 0.000 0.271 459 V C -0.236 175.907 176.094 0.083 0.000 1.030 459 V CA -0.543 61.782 62.300 0.042 0.000 0.844 459 V CB 0.496 32.327 31.823 0.013 0.000 1.015 459 V HN 0.801 nan 8.190 nan 0.000 0.460 460 H N 6.491 125.545 119.070 -0.027 0.000 2.472 460 H HA 0.694 5.250 4.556 0.000 0.000 0.338 460 H C -2.355 172.957 175.328 -0.027 0.000 1.133 460 H CA -1.883 54.146 56.048 -0.032 0.000 1.216 460 H CB 1.890 31.634 29.762 -0.030 0.000 1.497 460 H HN 0.487 nan 8.280 nan 0.000 0.500 461 P HA 0.260 nan 4.420 nan 0.000 0.297 461 P C -1.298 175.887 177.300 -0.191 0.000 1.342 461 P CA -0.666 62.128 63.100 -0.510 0.000 0.801 461 P CB 1.060 32.366 31.700 -0.657 0.000 0.920 462 T N -2.060 112.435 114.554 -0.098 0.000 2.896 462 T HA 0.391 4.741 4.350 0.000 0.000 0.297 462 T C 0.906 175.556 174.700 -0.084 0.000 1.108 462 T CA -0.449 61.608 62.100 -0.071 0.000 1.004 462 T CB 1.273 70.120 68.868 -0.034 0.000 1.159 462 T HN 0.129 nan 8.240 nan 0.000 0.499 463 S N 0.470 116.094 115.700 -0.127 0.000 2.522 463 S HA 0.151 4.621 4.470 0.000 0.000 0.227 463 S C 2.199 176.695 174.600 -0.174 0.000 0.986 463 S CA 0.265 58.294 58.200 -0.284 0.000 0.929 463 S CB -0.666 62.161 63.200 -0.622 0.000 0.769 463 S HN 1.018 nan 8.310 nan 0.000 0.529 464 A N 2.900 125.704 122.820 -0.028 0.000 1.930 464 A HA -0.105 4.215 4.320 0.000 0.000 0.217 464 A C 2.171 179.794 177.584 0.065 0.000 1.175 464 A CA 1.273 53.347 52.037 0.062 0.000 0.627 464 A CB -0.716 18.312 19.000 0.047 0.000 0.815 464 A HN 0.791 nan 8.150 nan 0.000 0.443 465 E N -0.144 120.075 120.200 0.032 0.000 2.401 465 E HA -0.238 4.112 4.350 0.000 0.000 0.199 465 E C 1.474 178.112 176.600 0.063 0.000 1.023 465 E CA 1.289 57.715 56.400 0.043 0.000 0.859 465 E CB -0.197 29.530 29.700 0.045 0.000 0.780 465 E HN 0.493 nan 8.360 nan 0.000 0.523 466 E N 1.167 121.412 120.200 0.076 0.000 2.204 466 E HA -0.118 4.232 4.350 0.000 0.000 0.195 466 E C 1.826 178.542 176.600 0.194 0.000 0.990 466 E CA 0.887 57.362 56.400 0.126 0.000 0.821 466 E CB -0.180 29.654 29.700 0.223 0.000 0.750 466 E HN 0.473 nan 8.360 nan 0.000 0.477 467 L N -0.923 120.430 121.223 0.216 0.000 2.156 467 L HA -0.112 4.228 4.340 0.000 0.000 0.208 467 L C 1.746 178.792 176.870 0.294 0.000 1.095 467 L CA 0.706 55.712 54.840 0.278 0.000 0.770 467 L CB -0.097 42.158 42.059 0.327 0.000 0.914 467 L HN 0.195 nan 8.230 nan 0.000 0.439 468 C N -1.361 118.059 119.300 0.199 0.000 2.559 468 C HA 0.158 4.618 4.460 0.000 0.000 0.300 468 C C 2.082 177.178 174.990 0.176 0.000 1.288 468 C CA -0.085 59.044 59.018 0.186 0.000 1.699 468 C CB -1.090 26.702 27.740 0.087 0.000 1.819 468 C HN 0.326 nan 8.230 nan 0.000 0.600 469 S N 0.077 115.871 115.700 0.157 0.000 2.603 469 S HA 0.318 4.788 4.470 0.000 0.000 0.232 469 S C 0.465 175.135 174.600 0.116 0.000 1.016 469 S CA -0.054 58.209 58.200 0.105 0.000 0.976 469 S CB -0.005 63.228 63.200 0.056 0.000 0.921 469 S HN 0.577 nan 8.310 nan 0.000 0.516 470 M N 2.009 121.718 119.600 0.183 0.000 2.289 470 M HA 0.357 4.837 4.480 0.000 0.000 0.354 470 M C 1.122 177.581 176.300 0.264 0.000 1.210 470 M CA -0.354 55.077 55.300 0.218 0.000 1.174 470 M CB 0.783 33.528 32.600 0.242 0.000 1.297 470 M HN 0.002 nan 8.290 nan 0.000 0.423 471 R N 1.024 121.577 120.500 0.088 0.000 2.039 471 R HA 0.156 4.496 4.340 0.000 0.000 0.218 471 R C 0.568 176.949 176.300 0.136 0.000 1.220 471 R CA 1.018 57.014 56.100 -0.173 0.000 0.993 471 R CB -0.010 30.007 30.300 -0.471 0.000 0.881 471 R HN 0.501 nan 8.270 nan 0.000 0.450 472 T N 3.081 117.631 114.554 -0.006 0.000 2.832 472 T HA 0.320 4.670 4.350 0.000 0.000 0.296 472 T C -2.352 172.110 174.700 -0.396 0.000 0.968 472 T CA -1.750 60.285 62.100 -0.108 0.000 1.107 472 T CB 1.175 69.991 68.868 -0.087 0.000 0.916 472 T HN 0.044 nan 8.240 nan 0.000 0.517 473 P HA 0.161 nan 4.420 nan 0.000 0.271 473 P C 0.097 177.005 177.300 -0.653 0.000 1.233 473 P CA -0.142 62.256 63.100 -1.170 0.000 0.795 473 P CB 0.436 31.461 31.700 -1.124 0.000 0.936 474 S N -1.481 113.837 115.700 -0.637 0.000 2.613 474 S HA 0.222 4.692 4.470 0.000 0.000 0.235 474 S C -0.330 174.209 174.600 -0.101 0.000 1.073 474 S CA 0.234 58.277 58.200 -0.262 0.000 0.899 474 S CB -0.081 63.062 63.200 -0.095 0.000 0.818 474 S HN 0.644 nan 8.310 nan 0.000 0.484 475 Y N -1.629 118.409 120.300 -0.436 0.000 2.818 475 Y HA 0.720 5.270 4.550 0.000 0.000 0.341 475 Y C -1.692 173.852 175.900 -0.593 0.000 1.283 475 Y CA -2.132 55.750 58.100 -0.364 0.000 1.075 475 Y CB 0.351 38.694 38.460 -0.195 0.000 1.370 475 Y HN -0.076 nan 8.280 nan 0.000 0.448 476 Y N -0.926 119.341 120.300 -0.056 0.000 2.662 476 Y HA 0.690 5.240 4.550 0.000 0.000 0.335 476 Y C -1.439 174.390 175.900 -0.120 0.000 1.066 476 Y CA -1.650 56.387 58.100 -0.105 0.000 1.116 476 Y CB 1.808 40.212 38.460 -0.095 0.000 1.308 476 Y HN 0.574 nan 8.280 nan 0.000 0.502 477 Y N 0.104 120.536 120.300 0.220 0.000 2.402 477 Y HA 0.458 5.009 4.550 0.000 0.000 0.325 477 Y C -0.719 175.274 175.900 0.155 0.000 1.009 477 Y CA -1.043 57.161 58.100 0.173 0.000 1.278 477 Y CB 1.450 39.994 38.460 0.139 0.000 1.105 477 Y HN 0.255 nan 8.280 nan 0.000 0.476 478 V N 4.275 124.314 119.914 0.207 0.000 2.169 478 V HA 0.219 4.339 4.120 0.000 0.000 0.271 478 V C 0.294 176.472 176.094 0.140 0.000 1.372 478 V CA -0.546 61.846 62.300 0.153 0.000 1.348 478 V CB -0.198 31.672 31.823 0.077 0.000 1.379 478 V HN 0.883 nan 8.190 nan 0.000 0.491 479 K N 0.903 121.412 120.400 0.181 0.000 5.503 479 K HA -0.196 4.124 4.320 0.000 0.000 0.447 479 K C 1.019 177.746 176.600 0.212 0.000 0.396 479 K CA 1.846 58.231 56.287 0.163 0.000 1.904 479 K CB -1.671 30.890 32.500 0.102 0.000 0.786 479 K HN 0.891 nan 8.250 nan 0.000 0.639 480 G N 0.558 109.464 108.800 0.176 0.000 2.489 480 G HA2 0.518 4.478 3.960 0.000 0.000 0.327 480 G HA3 0.518 4.478 3.960 0.000 0.000 0.327 480 G C -1.361 173.574 174.900 0.058 0.000 1.189 480 G CA -0.374 44.828 45.100 0.169 0.000 0.962 480 G HN 0.212 nan 8.290 nan 0.000 0.486 481 E N 0.253 120.364 120.200 -0.149 0.000 2.366 481 E HA 0.196 4.546 4.350 0.000 0.000 0.266 481 E C -0.636 175.827 176.600 -0.230 0.000 1.015 481 E CA 0.367 56.419 56.400 -0.580 0.000 0.906 481 E CB 0.305 29.618 29.700 -0.645 0.000 0.979 481 E HN 0.224 nan 8.360 nan 0.000 0.443 482 K N 5.073 125.389 120.400 -0.141 0.000 2.687 482 K HA 0.141 4.461 4.320 0.000 0.000 0.249 482 K C -0.796 175.865 176.600 0.101 0.000 0.994 482 K CA -0.859 55.419 56.287 -0.015 0.000 0.913 482 K CB 1.209 33.716 32.500 0.012 0.000 1.202 482 K HN 0.481 nan 8.250 nan 0.000 0.460 483 M N 4.280 123.923 119.600 0.072 0.000 2.922 483 M HA 0.040 4.520 4.480 0.000 0.000 0.294 483 M C 0.241 176.618 176.300 0.128 0.000 1.556 483 M CA 0.459 55.852 55.300 0.154 0.000 1.568 483 M CB -1.093 31.551 32.600 0.072 0.000 1.462 483 M HN 0.549 nan 8.290 nan 0.000 0.489 484 E N 0.000 120.307 120.200 0.179 0.000 2.725 484 E HA 0.000 4.350 4.350 0.000 0.000 0.291 484 E CA 0.000 56.355 56.400 -0.076 0.000 0.976 484 E CB 0.000 29.464 29.700 -0.393 0.000 0.812 484 E HN 0.000 nan 8.360 nan 0.000 0.440