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 1f3x_1_E DATA FIRST_RESID 12 DATA SEQUENCE IQTQQLHAAM ADTFLEHMCR LDIDSAPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RMNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIKGSGTAEV ELKKGATLKI TLDNAYMEKC DENILWLDYK DATA SEQUENCE NICKVVDVGS KVYVDDGLIS LQVKQKGPDF LVTEVENGGF LGSKKGVNLP DATA SEQUENCE GAAVDLPAVS EKDIQDLKFG VEQDVDMVFA SFIRKAADVH EVRKILGEKG DATA SEQUENCE KNIKIISKIE NHEGVRRFDE ILEASDGIMV ARGDLGIEIP AEKVFLAQKM DATA SEQUENCE IIGRCNRAGK PVICATQMLE SMIKKPRPTR AEGSDVANAV LDGADCIMLS DATA SEQUENCE GETAKGDYPL EAVRMQHLIA REAEAAMFHR KLFEELARAS PHSTDLMEAM DATA SEQUENCE AMGSVEASYK CLAAALIVLT ESGRSAHQVA RYRPRAPIIA VTRNHQTARQ DATA SEQUENCE AHLYRGIFPV VCKDPVQEAW AEDVDLRVNL AMNVGKARGF FKKGDVVIVL DATA SEQUENCE TGWRPGSGFT NTMRVVPVP 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 12 I HA 0.000 nan 4.170 nan 0.000 0.288 12 I C 0.000 176.108 176.117 -0.015 0.000 1.063 12 I CA 0.000 61.286 61.300 -0.023 0.000 1.566 12 I CB 0.000 37.989 38.000 -0.018 0.000 1.214 13 Q N 1.302 121.099 119.800 -0.006 0.000 3.217 13 Q HA -0.137 4.202 4.340 -0.001 0.000 0.025 13 Q C -0.534 175.479 176.000 0.021 0.000 1.708 13 Q CA 1.448 57.260 55.803 0.015 0.000 0.234 13 Q CB -0.819 27.936 28.738 0.029 0.000 0.989 13 Q HN 0.763 nan 8.270 nan 0.000 0.321 14 T N -1.360 113.213 114.554 0.032 0.000 2.900 14 T HA 0.491 4.840 4.350 -0.001 0.000 0.303 14 T C -0.369 174.355 174.700 0.040 0.000 1.142 14 T CA 0.429 62.548 62.100 0.031 0.000 1.007 14 T CB 1.266 70.150 68.868 0.028 0.000 1.156 14 T HN 0.811 nan 8.240 nan 0.000 0.490 15 Q N 3.179 123.002 119.800 0.037 0.000 2.406 15 Q HA -0.273 4.067 4.340 -0.001 0.000 0.339 15 Q C -0.238 175.804 176.000 0.069 0.000 1.337 15 Q CA 1.064 56.895 55.803 0.048 0.000 0.985 15 Q CB -1.873 26.892 28.738 0.045 0.000 1.216 15 Q HN 0.833 nan 8.270 nan 0.000 0.415 16 Q N -1.691 118.145 119.800 0.059 0.000 2.435 16 Q HA -0.222 4.118 4.340 -0.001 0.000 0.286 16 Q C 0.694 176.749 176.000 0.091 0.000 1.229 16 Q CA 1.579 57.420 55.803 0.062 0.000 0.884 16 Q CB -2.001 26.770 28.738 0.055 0.000 1.245 16 Q HN 0.807 nan 8.270 nan 0.000 0.488 17 L N -1.300 119.977 121.223 0.090 0.000 2.156 17 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 17 L C 2.296 179.229 176.870 0.105 0.000 1.095 17 L CA 1.507 56.401 54.840 0.090 0.000 0.770 17 L CB -0.364 41.737 42.059 0.070 0.000 0.914 17 L HN 0.378 nan 8.230 nan 0.000 0.439 18 H N 0.493 119.576 119.070 0.022 0.000 2.357 18 H HA -0.096 4.460 4.556 -0.001 0.000 0.301 18 H C 2.046 177.384 175.328 0.018 0.000 1.082 18 H CA 1.498 57.553 56.048 0.012 0.000 1.342 18 H CB 0.135 29.893 29.762 -0.005 0.000 1.389 18 H HN 0.231 nan 8.280 nan 0.000 0.511 19 A N 0.294 123.028 122.820 -0.142 0.000 2.167 19 A HA 0.217 4.536 4.320 -0.001 0.000 0.214 19 A C 2.440 180.060 177.584 0.059 0.000 1.151 19 A CA 0.950 52.875 52.037 -0.186 0.000 0.735 19 A CB -0.856 17.998 19.000 -0.243 0.000 0.802 19 A HN 0.595 nan 8.150 nan 0.000 0.467 20 A N -0.679 122.202 122.820 0.100 0.000 1.968 20 A HA -0.005 4.315 4.320 -0.001 0.000 0.217 20 A C 1.970 179.632 177.584 0.130 0.000 1.169 20 A CA 1.419 53.561 52.037 0.174 0.000 0.638 20 A CB -0.363 18.717 19.000 0.134 0.000 0.812 20 A HN 0.407 nan 8.150 nan 0.000 0.446 21 M N 0.027 119.648 119.600 0.034 0.000 2.476 21 M HA 0.134 4.614 4.480 -0.001 0.000 0.262 21 M C 1.330 177.643 176.300 0.022 0.000 1.079 21 M CA 0.325 55.633 55.300 0.013 0.000 1.104 21 M CB -1.645 30.951 32.600 -0.006 0.000 1.409 21 M HN 0.392 nan 8.290 nan 0.000 0.467 22 A N 2.150 124.971 122.820 0.000 0.000 2.536 22 A HA 0.072 4.392 4.320 -0.001 0.000 0.234 22 A C 0.814 178.494 177.584 0.160 0.000 1.076 22 A CA 0.511 52.543 52.037 -0.008 0.000 0.769 22 A CB 0.059 18.966 19.000 -0.155 0.000 1.020 22 A HN 0.516 nan 8.150 nan 0.000 0.508 23 D N -0.811 119.658 120.400 0.116 0.000 2.389 23 D HA 0.093 4.732 4.640 -0.001 0.000 0.206 23 D C 0.605 177.030 176.300 0.208 0.000 1.055 23 D CA 0.923 55.012 54.000 0.148 0.000 0.856 23 D CB -0.328 40.514 40.800 0.070 0.000 0.957 23 D HN 0.592 nan 8.370 nan 0.000 0.509 24 T N -3.851 110.801 114.554 0.165 0.000 2.916 24 T HA 0.453 4.802 4.350 -0.001 0.000 0.292 24 T C 0.424 175.138 174.700 0.024 0.000 1.064 24 T CA -0.806 61.404 62.100 0.184 0.000 1.011 24 T CB 1.033 69.978 68.868 0.127 0.000 1.152 24 T HN -0.230 nan 8.240 nan 0.000 0.510 25 F N 0.236 120.229 119.950 0.072 0.000 2.113 25 F HA 0.083 4.609 4.527 -0.001 0.000 0.297 25 F C 2.238 177.986 175.800 -0.087 0.000 1.103 25 F CA 0.858 58.826 58.000 -0.054 0.000 1.248 25 F CB -0.533 38.503 39.000 0.060 0.000 0.999 25 F HN 0.479 nan 8.300 nan 0.000 0.475 26 L N 0.468 121.779 121.223 0.147 0.000 2.043 26 L HA -0.230 4.109 4.340 -0.001 0.000 0.212 26 L C 2.272 179.126 176.870 -0.028 0.000 1.075 26 L CA 1.968 56.838 54.840 0.051 0.000 0.752 26 L CB -0.810 41.279 42.059 0.051 0.000 0.891 26 L HN 0.115 nan 8.230 nan 0.000 0.432 27 E N -1.432 118.737 120.200 -0.051 0.000 2.072 27 E HA -0.271 4.079 4.350 -0.001 0.000 0.190 27 E C 2.241 178.732 176.600 -0.183 0.000 0.982 27 E CA 1.462 57.805 56.400 -0.095 0.000 0.803 27 E CB -0.296 29.359 29.700 -0.075 0.000 0.755 27 E HN 0.700 nan 8.360 nan 0.000 0.453 28 H N -0.201 118.608 119.070 -0.435 0.000 2.319 28 H HA -0.104 4.451 4.556 -0.001 0.000 0.297 28 H C 1.954 177.067 175.328 -0.359 0.000 1.097 28 H CA 2.509 58.187 56.048 -0.616 0.000 1.285 28 H CB -0.206 28.781 29.762 -1.293 0.000 1.368 28 H HN 0.188 nan 8.280 nan 0.000 0.495 29 M N -0.955 118.454 119.600 -0.319 0.000 2.067 29 M HA -0.202 4.278 4.480 -0.001 0.000 0.260 29 M C 2.564 178.742 176.300 -0.203 0.000 1.069 29 M CA 1.634 56.778 55.300 -0.259 0.000 1.117 29 M CB -0.312 32.230 32.600 -0.097 0.000 1.334 29 M HN 0.401 nan 8.290 nan 0.000 0.407 30 C N 0.044 119.260 119.300 -0.140 0.000 2.401 30 C HA -0.148 4.312 4.460 -0.001 0.000 0.286 30 C C 2.491 177.422 174.990 -0.100 0.000 1.332 30 C CA 0.947 59.908 59.018 -0.095 0.000 1.795 30 C CB -1.416 26.287 27.740 -0.063 0.000 1.922 30 C HN 0.452 nan 8.230 nan 0.000 0.520 31 R N -0.272 120.130 120.500 -0.163 0.000 2.300 31 R HA 0.213 4.553 4.340 -0.001 0.000 0.199 31 R C 0.222 176.448 176.300 -0.123 0.000 0.920 31 R CA -0.113 55.913 56.100 -0.123 0.000 1.046 31 R CB -0.061 30.106 30.300 -0.222 0.000 0.984 31 R HN 0.474 nan 8.270 nan 0.000 0.493 32 L N 2.386 123.486 121.223 -0.205 0.000 2.601 32 L HA -0.053 4.287 4.340 -0.001 0.000 0.277 32 L C 0.025 176.848 176.870 -0.078 0.000 1.219 32 L CA 0.438 55.175 54.840 -0.171 0.000 0.915 32 L CB -0.011 41.932 42.059 -0.193 0.000 1.160 32 L HN -0.058 nan 8.230 nan 0.000 0.494 33 D N 3.786 124.159 120.400 -0.044 0.000 2.391 33 D HA 0.225 4.864 4.640 -0.001 0.000 0.245 33 D C 0.706 176.995 176.300 -0.019 0.000 1.069 33 D CA -0.558 53.431 54.000 -0.019 0.000 0.831 33 D CB 1.591 42.394 40.800 0.005 0.000 1.204 33 D HN 0.462 nan 8.370 nan 0.000 0.503 34 I N -0.308 120.251 120.570 -0.020 0.000 3.550 34 I HA 0.185 4.354 4.170 -0.001 0.000 0.295 34 I C -0.214 175.897 176.117 -0.010 0.000 1.291 34 I CA 0.374 61.665 61.300 -0.016 0.000 1.298 34 I CB 0.214 38.203 38.000 -0.017 0.000 1.026 34 I HN 0.003 nan 8.210 nan 0.000 0.491 35 D N 1.017 121.413 120.400 -0.008 0.000 2.571 35 D HA 0.133 4.772 4.640 -0.001 0.000 0.239 35 D C 0.132 176.432 176.300 -0.001 0.000 1.267 35 D CA 0.207 54.204 54.000 -0.005 0.000 0.823 35 D CB 0.946 41.742 40.800 -0.008 0.000 1.056 35 D HN 0.167 nan 8.370 nan 0.000 0.494 36 S N 0.979 116.681 115.700 0.002 0.000 2.567 36 S HA 0.507 4.976 4.470 -0.001 0.000 0.262 36 S C 0.156 174.763 174.600 0.012 0.000 1.237 36 S CA -0.509 57.697 58.200 0.011 0.000 1.093 36 S CB 0.028 63.239 63.200 0.018 0.000 1.095 36 S HN 0.247 nan 8.310 nan 0.000 0.489 37 A N 6.853 129.680 122.820 0.012 0.000 2.566 37 A HA 0.335 4.655 4.320 -0.001 0.000 0.245 37 A C -1.882 175.712 177.584 0.016 0.000 1.056 37 A CA -0.545 51.499 52.037 0.012 0.000 0.757 37 A CB -0.250 18.758 19.000 0.014 0.000 0.979 37 A HN 0.623 nan 8.150 nan 0.000 0.508 38 P HA 0.331 nan 4.420 nan 0.000 0.275 38 P C 0.072 177.380 177.300 0.013 0.000 1.266 38 P CA -0.315 62.791 63.100 0.011 0.000 0.793 38 P CB 0.474 32.172 31.700 -0.004 0.000 1.074 39 I N -3.104 117.471 120.570 0.008 0.000 2.834 39 I HA 0.219 4.388 4.170 -0.001 0.000 0.305 39 I C 1.193 177.318 176.117 0.013 0.000 1.008 39 I CA -0.547 60.759 61.300 0.010 0.000 1.273 39 I CB 0.043 38.038 38.000 -0.010 0.000 1.432 39 I HN 0.153 nan 8.210 nan 0.000 0.557 40 T N 2.881 117.468 114.554 0.054 0.000 2.684 40 T HA -0.079 4.271 4.350 -0.001 0.000 0.267 40 T C 1.104 175.877 174.700 0.121 0.000 1.036 40 T CA 1.545 63.717 62.100 0.120 0.000 1.148 40 T CB -0.336 68.655 68.868 0.205 0.000 0.863 40 T HN 0.785 nan 8.240 nan 0.000 0.436 41 A N 1.735 124.515 122.820 -0.066 0.000 2.498 41 A HA 0.396 4.716 4.320 -0.001 0.000 0.239 41 A C 0.464 177.984 177.584 -0.106 0.000 1.068 41 A CA -0.120 51.728 52.037 -0.315 0.000 0.766 41 A CB 0.044 18.410 19.000 -1.057 0.000 1.003 41 A HN 0.403 nan 8.150 nan 0.000 0.497 42 R N 2.166 122.684 120.500 0.029 0.000 2.437 42 R HA 0.272 4.611 4.340 -0.001 0.000 0.310 42 R C -0.447 175.911 176.300 0.096 0.000 0.955 42 R CA -0.700 55.431 56.100 0.051 0.000 0.851 42 R CB 0.657 31.029 30.300 0.121 0.000 1.161 42 R HN 0.865 nan 8.270 nan 0.000 0.446 43 N N 1.255 119.995 118.700 0.065 0.000 2.405 43 N HA -0.006 4.734 4.740 -0.001 0.000 0.175 43 N C -0.429 175.148 175.510 0.112 0.000 1.051 43 N CA 0.569 53.677 53.050 0.096 0.000 0.899 43 N CB 0.602 39.138 38.487 0.082 0.000 1.000 43 N HN 0.468 nan 8.380 nan 0.000 0.451 44 T N 1.031 115.640 114.554 0.091 0.000 2.729 44 T HA 0.363 4.712 4.350 -0.001 0.000 0.296 44 T C 0.806 175.559 174.700 0.088 0.000 0.928 44 T CA -0.598 61.549 62.100 0.078 0.000 1.045 44 T CB 1.126 70.025 68.868 0.052 0.000 0.902 44 T HN 0.092 nan 8.240 nan 0.000 0.500 45 G N 2.947 111.798 108.800 0.086 0.000 2.432 45 G HA2 0.443 4.403 3.960 -0.001 0.000 0.239 45 G HA3 0.443 4.403 3.960 -0.001 0.000 0.239 45 G C -0.299 174.624 174.900 0.039 0.000 1.291 45 G CA -0.506 44.638 45.100 0.073 0.000 0.863 45 G HN 0.768 nan 8.290 nan 0.000 0.560 46 I N 1.789 122.368 120.570 0.014 0.000 2.378 46 I HA 0.299 4.469 4.170 -0.001 0.000 0.291 46 I C -0.151 175.965 176.117 -0.001 0.000 0.992 46 I CA -0.470 60.839 61.300 0.015 0.000 1.154 46 I CB 1.788 39.804 38.000 0.027 0.000 1.315 46 I HN 0.222 nan 8.210 nan 0.000 0.448 47 I N 5.893 126.480 120.570 0.028 0.000 2.330 47 I HA 0.308 4.477 4.170 -0.001 0.000 0.289 47 I C -0.598 175.558 176.117 0.064 0.000 1.001 47 I CA -0.373 60.962 61.300 0.059 0.000 1.193 47 I CB 1.145 39.214 38.000 0.115 0.000 1.345 47 I HN 0.523 nan 8.210 nan 0.000 0.461 48 C N 4.067 123.400 119.300 0.054 0.000 2.319 48 C HA 0.396 4.855 4.460 -0.001 0.000 0.335 48 C C 0.810 175.847 174.990 0.080 0.000 1.274 48 C CA -0.524 58.529 59.018 0.058 0.000 1.806 48 C CB 0.831 28.593 27.740 0.037 0.000 2.329 48 C HN 0.648 nan 8.230 nan 0.000 0.524 49 T N 5.259 119.868 114.554 0.092 0.000 2.729 49 T HA 0.281 4.630 4.350 -0.001 0.000 0.296 49 T C 0.280 175.040 174.700 0.100 0.000 0.928 49 T CA -0.079 62.088 62.100 0.111 0.000 1.045 49 T CB -0.076 68.862 68.868 0.118 0.000 0.902 49 T HN 0.347 nan 8.240 nan 0.000 0.500 50 I N 3.556 124.190 120.570 0.107 0.000 2.395 50 I HA 0.582 4.751 4.170 -0.001 0.000 0.289 50 I C 0.973 177.166 176.117 0.126 0.000 1.023 50 I CA -0.081 61.277 61.300 0.096 0.000 1.350 50 I CB 0.662 38.709 38.000 0.079 0.000 1.409 50 I HN 0.770 nan 8.210 nan 0.000 0.507 51 G N 6.854 115.717 108.800 0.105 0.000 2.870 51 G HA2 0.505 4.464 3.960 -0.001 0.000 0.299 51 G HA3 0.505 4.464 3.960 -0.001 0.000 0.299 51 G C -2.379 172.584 174.900 0.105 0.000 1.324 51 G CA -0.405 44.774 45.100 0.132 0.000 0.808 51 G HN 0.300 nan 8.290 nan 0.000 0.535 52 P HA -0.144 nan 4.420 nan 0.000 0.217 52 P C 1.693 179.018 177.300 0.040 0.000 1.151 52 P CA 2.170 65.319 63.100 0.081 0.000 0.849 52 P CB 0.048 31.784 31.700 0.060 0.000 0.787 53 A N -0.135 122.703 122.820 0.030 0.000 2.209 53 A HA 0.013 4.332 4.320 -0.001 0.000 0.212 53 A C 1.745 179.338 177.584 0.015 0.000 1.158 53 A CA 1.491 53.534 52.037 0.011 0.000 0.742 53 A CB -0.748 18.253 19.000 0.003 0.000 0.790 53 A HN 0.413 nan 8.150 nan 0.000 0.472 54 S N -2.483 113.233 115.700 0.027 0.000 3.067 54 S HA 0.227 4.696 4.470 -0.001 0.000 0.253 54 S C 0.963 175.576 174.600 0.021 0.000 0.942 54 S CA -0.353 57.862 58.200 0.025 0.000 1.197 54 S CB -0.186 63.034 63.200 0.033 0.000 1.143 54 S HN 0.495 nan 8.310 nan 0.000 0.638 55 R N 2.326 122.834 120.500 0.013 0.000 2.153 55 R HA 0.096 4.435 4.340 -0.001 0.000 0.218 55 R C 0.844 177.137 176.300 -0.013 0.000 1.072 55 R CA 0.942 57.034 56.100 -0.013 0.000 0.990 55 R CB -0.214 30.056 30.300 -0.050 0.000 0.889 55 R HN 0.591 nan 8.270 nan 0.000 0.452 56 S N 0.573 116.271 115.700 -0.002 0.000 2.525 56 S HA 0.001 4.471 4.470 -0.001 0.000 0.285 56 S C 1.591 176.196 174.600 0.008 0.000 1.283 56 S CA -0.626 57.574 58.200 -0.001 0.000 1.072 56 S CB 1.302 64.504 63.200 0.002 0.000 0.867 56 S HN -0.071 nan 8.310 nan 0.000 0.492 57 V N 2.958 122.875 119.914 0.005 0.000 2.250 57 V HA -0.231 3.888 4.120 -0.001 0.000 0.253 57 V C 2.803 178.911 176.094 0.023 0.000 1.065 57 V CA 2.573 64.882 62.300 0.014 0.000 1.039 57 V CB -1.206 30.619 31.823 0.004 0.000 0.647 57 V HN 0.944 nan 8.190 nan 0.000 0.446 58 E N 0.013 120.222 120.200 0.014 0.000 2.097 58 E HA -0.191 4.159 4.350 -0.001 0.000 0.196 58 E C 2.307 178.928 176.600 0.034 0.000 1.000 58 E CA 2.027 58.439 56.400 0.020 0.000 0.804 58 E CB -0.562 29.144 29.700 0.010 0.000 0.740 58 E HN 0.663 nan 8.360 nan 0.000 0.454 59 T N 0.754 115.325 114.554 0.028 0.000 2.857 59 T HA -0.069 4.280 4.350 -0.001 0.000 0.266 59 T C 1.579 176.305 174.700 0.044 0.000 1.048 59 T CA 0.557 62.676 62.100 0.032 0.000 1.139 59 T CB -0.077 68.804 68.868 0.021 0.000 0.874 59 T HN 0.054 nan 8.240 nan 0.000 0.455 60 L N 1.388 122.639 121.223 0.047 0.000 2.042 60 L HA -0.079 4.260 4.340 -0.001 0.000 0.210 60 L C 2.332 179.261 176.870 0.098 0.000 1.076 60 L CA 1.840 56.715 54.840 0.060 0.000 0.749 60 L CB -1.049 41.045 42.059 0.059 0.000 0.893 60 L HN 0.329 nan 8.230 nan 0.000 0.432 61 K N -0.438 120.042 120.400 0.133 0.000 2.044 61 K HA -0.200 4.119 4.320 -0.001 0.000 0.210 61 K C 1.914 178.626 176.600 0.187 0.000 1.049 61 K CA 1.299 57.736 56.287 0.250 0.000 0.927 61 K CB -0.044 32.574 32.500 0.197 0.000 0.713 61 K HN 0.254 nan 8.250 nan 0.000 0.443 62 E N 0.315 120.580 120.200 0.109 0.000 2.150 62 E HA -0.109 4.240 4.350 -0.001 0.000 0.193 62 E C 2.002 178.619 176.600 0.029 0.000 0.985 62 E CA 0.859 57.299 56.400 0.066 0.000 0.814 62 E CB -0.068 29.663 29.700 0.051 0.000 0.752 62 E HN 0.302 nan 8.360 nan 0.000 0.466 63 M N 0.202 119.820 119.600 0.030 0.000 2.108 63 M HA -0.138 4.341 4.480 -0.001 0.000 0.261 63 M C 2.440 178.720 176.300 -0.034 0.000 1.066 63 M CA 1.230 56.533 55.300 0.006 0.000 1.107 63 M CB -0.847 31.762 32.600 0.015 0.000 1.356 63 M HN 0.096 nan 8.290 nan 0.000 0.406 64 I N -0.010 120.535 120.570 -0.041 0.000 2.163 64 I HA -0.312 3.857 4.170 -0.001 0.000 0.240 64 I C 2.344 178.351 176.117 -0.183 0.000 1.081 64 I CA 1.268 62.489 61.300 -0.131 0.000 1.353 64 I CB -0.499 37.397 38.000 -0.172 0.000 1.054 64 I HN 0.309 nan 8.210 nan 0.000 0.407 65 K N 0.477 120.783 120.400 -0.156 0.000 2.211 65 K HA -0.113 4.206 4.320 -0.001 0.000 0.204 65 K C 2.150 178.672 176.600 -0.130 0.000 1.047 65 K CA 1.401 57.599 56.287 -0.149 0.000 0.935 65 K CB -0.205 32.262 32.500 -0.055 0.000 0.728 65 K HN 0.202 nan 8.250 nan 0.000 0.452 66 S N -0.793 114.845 115.700 -0.103 0.000 2.489 66 S HA 0.025 4.495 4.470 -0.001 0.000 0.228 66 S C 1.334 175.824 174.600 -0.183 0.000 0.995 66 S CA 0.958 59.090 58.200 -0.113 0.000 0.934 66 S CB 0.530 63.703 63.200 -0.045 0.000 0.771 66 S HN 0.647 nan 8.310 nan 0.000 0.522 67 G N 0.623 109.326 108.800 -0.162 0.000 2.672 67 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.197 67 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.197 67 G C 0.148 174.992 174.900 -0.094 0.000 0.995 67 G CA -0.231 44.782 45.100 -0.145 0.000 0.754 67 G HN 0.369 nan 8.290 nan 0.000 0.505 68 M N 1.504 121.049 119.600 -0.092 0.000 2.290 68 M HA 0.222 4.701 4.480 -0.001 0.000 0.356 68 M C 0.854 177.045 176.300 -0.183 0.000 1.448 68 M CA 1.155 56.398 55.300 -0.095 0.000 0.993 68 M CB 0.073 32.635 32.600 -0.064 0.000 1.934 68 M HN 0.300 nan 8.290 nan 0.000 0.461 69 N N 2.691 121.254 118.700 -0.228 0.000 2.460 69 N HA 0.184 4.924 4.740 -0.001 0.000 0.193 69 N C -0.992 174.295 175.510 -0.372 0.000 1.080 69 N CA -0.204 52.547 53.050 -0.499 0.000 0.869 69 N CB 1.007 39.119 38.487 -0.625 0.000 1.201 69 N HN 0.428 nan 8.380 nan 0.000 0.457 70 V N 1.082 120.903 119.914 -0.156 0.000 2.577 70 V HA 0.644 4.764 4.120 -0.001 0.000 0.303 70 V C -0.916 175.173 176.094 -0.008 0.000 1.042 70 V CA -1.097 61.173 62.300 -0.050 0.000 0.872 70 V CB 1.525 33.369 31.823 0.035 0.000 0.998 70 V HN 0.112 nan 8.190 nan 0.000 0.423 71 A N 4.960 127.775 122.820 -0.009 0.000 2.260 71 A HA 0.740 5.059 4.320 -0.001 0.000 0.308 71 A C 0.027 177.617 177.584 0.010 0.000 1.254 71 A CA -0.485 51.561 52.037 0.014 0.000 0.874 71 A CB 0.389 19.398 19.000 0.016 0.000 1.153 71 A HN 0.861 nan 8.150 nan 0.000 0.527 72 R N 3.710 124.241 120.500 0.052 0.000 2.295 72 R HA 0.501 4.840 4.340 -0.001 0.000 0.324 72 R C -1.068 175.290 176.300 0.097 0.000 0.968 72 R CA -0.612 55.519 56.100 0.051 0.000 0.837 72 R CB 0.575 30.981 30.300 0.175 0.000 1.133 72 R HN 0.629 nan 8.270 nan 0.000 0.450 73 M N 3.810 123.465 119.600 0.092 0.000 2.061 73 M HA 0.187 4.666 4.480 -0.001 0.000 0.346 73 M C -0.368 176.049 176.300 0.196 0.000 1.112 73 M CA -1.033 54.370 55.300 0.173 0.000 1.021 73 M CB 0.578 33.319 32.600 0.234 0.000 1.530 73 M HN 0.432 nan 8.290 nan 0.000 0.437 74 N N 2.928 121.755 118.700 0.211 0.000 2.415 74 N HA 0.142 4.881 4.740 -0.001 0.000 0.250 74 N C -0.429 175.208 175.510 0.211 0.000 1.127 74 N CA -0.148 53.043 53.050 0.235 0.000 0.945 74 N CB 0.067 38.700 38.487 0.243 0.000 1.196 74 N HN 0.352 nan 8.380 nan 0.000 0.499 75 F N 1.352 121.260 119.950 -0.071 0.000 2.754 75 F HA 0.083 4.609 4.527 -0.001 0.000 0.303 75 F C 2.053 177.879 175.800 0.042 0.000 1.196 75 F CA 0.115 58.086 58.000 -0.048 0.000 1.416 75 F CB -0.271 38.670 39.000 -0.098 0.000 1.092 75 F HN 0.445 nan 8.300 nan 0.000 0.541 76 S N -1.562 114.218 115.700 0.133 0.000 2.489 76 S HA -0.026 4.443 4.470 -0.001 0.000 0.228 76 S C 0.124 174.467 174.600 -0.427 0.000 0.995 76 S CA 0.695 58.825 58.200 -0.117 0.000 0.934 76 S CB -0.244 62.865 63.200 -0.151 0.000 0.771 76 S HN 0.423 nan 8.310 nan 0.000 0.522 77 H N -1.576 117.569 119.070 0.125 0.000 2.985 77 H HA 0.594 5.150 4.556 -0.001 0.000 0.360 77 H C 0.104 175.448 175.328 0.027 0.000 1.221 77 H CA -0.239 55.836 56.048 0.045 0.000 1.121 77 H CB 1.294 31.054 29.762 -0.003 0.000 1.854 77 H HN 0.190 nan 8.280 nan 0.000 0.551 78 G N 0.508 109.284 108.800 -0.041 0.000 2.719 78 G HA2 0.046 4.005 3.960 -0.001 0.000 0.686 78 G HA3 0.046 4.005 3.960 -0.001 0.000 0.686 78 G C -0.088 174.715 174.900 -0.162 0.000 1.201 78 G CA -0.492 44.404 45.100 -0.340 0.000 0.768 78 G HN 0.894 nan 8.290 nan 0.000 0.629 79 T N -1.249 113.213 114.554 -0.153 0.000 2.862 79 T HA 0.592 4.941 4.350 -0.001 0.000 0.276 79 T C 1.344 176.066 174.700 0.036 0.000 0.974 79 T CA 0.400 62.483 62.100 -0.028 0.000 0.966 79 T CB 1.361 70.210 68.868 -0.033 0.000 1.072 79 T HN 0.677 nan 8.240 nan 0.000 0.538 80 H N 0.453 119.412 119.070 -0.185 0.000 2.290 80 H HA -0.129 4.426 4.556 -0.001 0.000 0.298 80 H C 2.352 177.589 175.328 -0.152 0.000 1.087 80 H CA 1.877 57.681 56.048 -0.407 0.000 1.291 80 H CB 0.162 29.545 29.762 -0.632 0.000 1.369 80 H HN 0.912 nan 8.280 nan 0.000 0.492 81 E N 0.613 120.871 120.200 0.097 0.000 2.160 81 E HA -0.265 4.084 4.350 -0.001 0.000 0.195 81 E C 1.956 178.603 176.600 0.078 0.000 0.991 81 E CA 1.364 57.833 56.400 0.114 0.000 0.810 81 E CB -0.557 29.195 29.700 0.087 0.000 0.742 81 E HN 0.541 nan 8.360 nan 0.000 0.466 82 Y N 1.666 121.909 120.300 -0.095 0.000 2.089 82 Y HA -0.243 4.306 4.550 -0.001 0.000 0.282 82 Y C 2.324 178.113 175.900 -0.186 0.000 1.139 82 Y CA 2.269 60.254 58.100 -0.192 0.000 1.123 82 Y CB -0.349 37.895 38.460 -0.359 0.000 0.980 82 Y HN 0.116 nan 8.280 nan 0.000 0.493 83 H N -0.405 118.634 119.070 -0.051 0.000 2.489 83 H HA -0.033 4.523 4.556 -0.001 0.000 0.293 83 H C 2.241 177.620 175.328 0.086 0.000 1.066 83 H CA 1.023 57.026 56.048 -0.074 0.000 1.305 83 H CB -0.576 29.081 29.762 -0.174 0.000 1.386 83 H HN 0.527 nan 8.280 nan 0.000 0.551 84 A N 0.866 123.851 122.820 0.275 0.000 1.930 84 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 84 A C 2.371 180.020 177.584 0.107 0.000 1.175 84 A CA 1.362 53.582 52.037 0.306 0.000 0.627 84 A CB -0.230 18.995 19.000 0.375 0.000 0.815 84 A HN 0.384 nan 8.150 nan 0.000 0.443 85 E N -1.028 119.173 120.200 0.002 0.000 2.072 85 E HA -0.148 4.201 4.350 -0.001 0.000 0.190 85 E C 2.169 178.718 176.600 -0.084 0.000 0.982 85 E CA 1.427 57.795 56.400 -0.054 0.000 0.803 85 E CB -0.121 29.515 29.700 -0.107 0.000 0.755 85 E HN 0.609 nan 8.360 nan 0.000 0.453 86 T N 0.388 114.846 114.554 -0.160 0.000 2.777 86 T HA -0.115 4.235 4.350 -0.001 0.000 0.266 86 T C 1.985 176.677 174.700 -0.013 0.000 1.040 86 T CA 1.109 63.135 62.100 -0.123 0.000 1.141 86 T CB -0.227 68.533 68.868 -0.180 0.000 0.868 86 T HN 0.129 nan 8.240 nan 0.000 0.444 87 I N 0.867 121.462 120.570 0.042 0.000 2.163 87 I HA -0.167 4.002 4.170 -0.001 0.000 0.243 87 I C 2.778 178.915 176.117 0.034 0.000 1.085 87 I CA 1.790 63.126 61.300 0.060 0.000 1.347 87 I CB -0.419 37.634 38.000 0.088 0.000 1.044 87 I HN 0.343 nan 8.210 nan 0.000 0.408 88 K N 1.015 121.431 120.400 0.027 0.000 2.103 88 K HA -0.229 4.091 4.320 -0.001 0.000 0.207 88 K C 1.800 178.409 176.600 0.016 0.000 1.048 88 K CA 1.767 58.065 56.287 0.020 0.000 0.930 88 K CB -0.070 32.440 32.500 0.016 0.000 0.716 88 K HN 0.322 nan 8.250 nan 0.000 0.444 89 N N 0.812 119.515 118.700 0.005 0.000 2.188 89 N HA -0.135 4.605 4.740 -0.001 0.000 0.184 89 N C 1.919 177.445 175.510 0.027 0.000 1.018 89 N CA 1.550 54.604 53.050 0.007 0.000 0.858 89 N CB -0.353 38.128 38.487 -0.011 0.000 0.989 89 N HN 0.295 nan 8.380 nan 0.000 0.426 90 V N -0.351 119.582 119.914 0.032 0.000 2.427 90 V HA -0.072 4.048 4.120 -0.001 0.000 0.248 90 V C 2.150 178.284 176.094 0.068 0.000 1.051 90 V CA 1.211 63.539 62.300 0.048 0.000 1.048 90 V CB -0.489 31.358 31.823 0.040 0.000 0.666 90 V HN 0.103 nan 8.190 nan 0.000 0.456 91 R N 0.419 120.955 120.500 0.060 0.000 2.092 91 R HA -0.051 4.289 4.340 -0.001 0.000 0.231 91 R C 2.490 178.841 176.300 0.084 0.000 1.119 91 R CA 1.833 57.980 56.100 0.078 0.000 0.970 91 R CB -0.875 29.459 30.300 0.057 0.000 0.864 91 R HN 0.590 nan 8.270 nan 0.000 0.440 92 T N 1.157 115.744 114.554 0.055 0.000 2.708 92 T HA -0.136 4.213 4.350 -0.001 0.000 0.266 92 T C 1.995 176.723 174.700 0.047 0.000 1.037 92 T CA 1.512 63.635 62.100 0.038 0.000 1.146 92 T CB -0.233 68.644 68.868 0.016 0.000 0.865 92 T HN 0.365 nan 8.240 nan 0.000 0.435 93 A N 1.245 124.107 122.820 0.070 0.000 1.933 93 A HA -0.113 4.207 4.320 -0.001 0.000 0.218 93 A C 2.549 180.282 177.584 0.249 0.000 1.175 93 A CA 2.023 54.126 52.037 0.111 0.000 0.628 93 A CB -1.212 17.864 19.000 0.128 0.000 0.814 93 A HN 0.478 nan 8.150 nan 0.000 0.444 94 T N 0.178 114.879 114.554 0.245 0.000 2.674 94 T HA -0.108 4.241 4.350 -0.001 0.000 0.265 94 T C 1.708 176.691 174.700 0.471 0.000 1.039 94 T CA 1.528 63.836 62.100 0.347 0.000 1.150 94 T CB -0.256 68.754 68.868 0.236 0.000 0.864 94 T HN 0.458 nan 8.240 nan 0.000 0.427 95 E N 1.686 122.053 120.200 0.279 0.000 2.338 95 E HA -0.046 4.303 4.350 -0.001 0.000 0.197 95 E C 2.447 179.096 176.600 0.082 0.000 1.007 95 E CA 0.786 57.300 56.400 0.191 0.000 0.849 95 E CB -0.603 29.148 29.700 0.085 0.000 0.774 95 E HN 0.666 nan 8.360 nan 0.000 0.506 96 S N -0.335 115.347 115.700 -0.030 0.000 2.493 96 S HA -0.104 4.366 4.470 -0.001 0.000 0.243 96 S C 1.496 175.855 174.600 -0.402 0.000 0.991 96 S CA 0.645 58.679 58.200 -0.276 0.000 0.957 96 S CB -0.395 62.533 63.200 -0.453 0.000 0.756 96 S HN 0.154 nan 8.310 nan 0.000 0.521 97 F N 0.972 121.000 119.950 0.130 0.000 2.694 97 F HA 0.558 5.085 4.527 0.001 0.000 0.292 97 F C 2.506 178.420 175.800 0.189 0.000 1.121 97 F CA -0.305 57.800 58.000 0.175 0.000 1.352 97 F CB -0.678 38.460 39.000 0.229 0.000 1.107 97 F HN 0.221 nan 8.300 nan 0.000 0.597 98 A N 0.722 123.671 122.820 0.214 0.000 1.971 98 A HA -0.298 4.021 4.320 -0.001 0.000 0.222 98 A C 2.384 179.893 177.584 -0.125 0.000 1.182 98 A CA 2.451 54.325 52.037 -0.272 0.000 0.649 98 A CB -1.277 17.509 19.000 -0.356 0.000 0.818 98 A HN 0.421 nan 8.150 nan 0.000 0.458 99 S N -0.337 115.347 115.700 -0.026 0.000 2.400 99 S HA -0.193 4.277 4.470 -0.001 0.000 0.234 99 S C 0.869 175.478 174.600 0.016 0.000 1.049 99 S CA 1.278 59.470 58.200 -0.012 0.000 1.039 99 S CB -0.487 62.711 63.200 -0.003 0.000 0.856 99 S HN 0.640 nan 8.310 nan 0.000 0.465 100 D N 2.226 122.668 120.400 0.071 0.000 2.412 100 D HA 0.352 4.991 4.640 -0.001 0.000 0.224 100 D C -2.136 174.230 176.300 0.110 0.000 1.093 100 D CA -2.531 51.520 54.000 0.086 0.000 0.850 100 D CB 1.666 42.534 40.800 0.113 0.000 1.046 100 D HN -0.022 nan 8.370 nan 0.000 0.507 101 P HA -0.005 nan 4.420 nan 0.000 0.220 101 P C 1.435 178.799 177.300 0.107 0.000 1.148 101 P CA 0.724 63.869 63.100 0.076 0.000 0.803 101 P CB 0.489 32.210 31.700 0.035 0.000 0.782 102 I N -1.638 118.982 120.570 0.084 0.000 2.400 102 I HA -0.091 4.079 4.170 -0.001 0.000 0.248 102 I C 1.558 177.722 176.117 0.079 0.000 1.109 102 I CA 0.903 62.242 61.300 0.065 0.000 1.425 102 I CB -0.279 37.735 38.000 0.024 0.000 1.094 102 I HN -0.127 nan 8.210 nan 0.000 0.425 103 L N 0.187 121.467 121.223 0.094 0.000 2.611 103 L HA 0.064 4.403 4.340 -0.001 0.000 0.229 103 L C 0.217 177.156 176.870 0.115 0.000 1.137 103 L CA 0.290 55.180 54.840 0.082 0.000 0.901 103 L CB -1.162 40.941 42.059 0.073 0.000 1.098 103 L HN 0.205 nan 8.230 nan 0.000 0.456 104 Y N 1.790 122.115 120.300 0.042 0.000 2.480 104 Y HA 0.267 4.817 4.550 -0.000 0.000 0.341 104 Y C 0.199 176.089 175.900 -0.016 0.000 1.031 104 Y CA -0.612 57.511 58.100 0.038 0.000 1.295 104 Y CB 0.289 38.786 38.460 0.062 0.000 1.162 104 Y HN -0.008 nan 8.280 nan 0.000 0.523 105 R N 8.237 128.346 120.500 -0.652 0.000 2.215 105 R HA 0.341 4.680 4.340 -0.001 0.000 0.337 105 R C -2.575 173.227 176.300 -0.831 0.000 1.010 105 R CA -2.173 53.550 56.100 -0.627 0.000 0.871 105 R CB 0.253 30.305 30.300 -0.414 0.000 1.134 105 R HN 0.517 nan 8.270 nan 0.000 0.477 106 P HA 0.027 nan 4.420 nan 0.000 0.269 106 P C -0.640 176.618 177.300 -0.069 0.000 1.209 106 P CA -0.086 62.785 63.100 -0.382 0.000 0.776 106 P CB 1.066 32.695 31.700 -0.118 0.000 0.876 107 V N 2.096 121.996 119.914 -0.024 0.000 2.540 107 V HA 0.578 4.697 4.120 -0.001 0.000 0.302 107 V C 0.502 176.624 176.094 0.046 0.000 1.035 107 V CA -0.880 61.406 62.300 -0.023 0.000 0.873 107 V CB 1.527 33.324 31.823 -0.045 0.000 0.992 107 V HN 0.773 nan 8.190 nan 0.000 0.428 108 A N 4.105 126.954 122.820 0.049 0.000 2.279 108 A HA 0.848 5.167 4.320 -0.001 0.000 0.303 108 A C -0.531 177.057 177.584 0.006 0.000 1.108 108 A CA -0.494 51.577 52.037 0.058 0.000 0.830 108 A CB 1.195 20.253 19.000 0.097 0.000 1.106 108 A HN 0.715 nan 8.150 nan 0.000 0.493 109 V N 0.703 120.609 119.914 -0.013 0.000 2.448 109 V HA 0.671 4.791 4.120 -0.001 0.000 0.295 109 V C 0.318 176.339 176.094 -0.121 0.000 1.025 109 V CA -0.145 62.129 62.300 -0.043 0.000 0.859 109 V CB 1.128 32.936 31.823 -0.026 0.000 0.988 109 V HN 1.209 nan 8.190 nan 0.000 0.431 110 A N 4.871 127.574 122.820 -0.196 0.000 2.355 110 A HA 0.882 5.202 4.320 -0.001 0.000 0.317 110 A C -1.233 176.114 177.584 -0.395 0.000 1.094 110 A CA -0.584 51.187 52.037 -0.444 0.000 0.764 110 A CB 1.557 20.062 19.000 -0.824 0.000 1.230 110 A HN 0.872 nan 8.150 nan 0.000 0.448 111 L N 2.095 123.055 121.223 -0.439 0.000 2.287 111 L HA 0.542 4.881 4.340 -0.001 0.000 0.287 111 L C -0.799 175.885 176.870 -0.309 0.000 1.022 111 L CA -0.290 54.349 54.840 -0.335 0.000 0.814 111 L CB 1.325 43.139 42.059 -0.408 0.000 1.217 111 L HN 0.666 nan 8.230 nan 0.000 0.420 112 D N 3.586 123.925 120.400 -0.102 0.000 2.280 112 D HA 0.219 4.859 4.640 -0.001 0.000 0.236 112 D C -0.617 175.728 176.300 0.075 0.000 1.082 112 D CA -0.141 53.911 54.000 0.086 0.000 0.834 112 D CB 1.428 42.369 40.800 0.234 0.000 1.100 112 D HN 0.617 nan 8.370 nan 0.000 0.486 113 T N 2.937 117.527 114.554 0.061 0.000 2.898 113 T HA 0.024 4.374 4.350 -0.001 0.000 0.301 113 T C 1.358 176.135 174.700 0.128 0.000 1.049 113 T CA -0.200 61.936 62.100 0.060 0.000 1.095 113 T CB 1.554 70.450 68.868 0.047 0.000 0.976 113 T HN 0.424 nan 8.240 nan 0.000 0.539 114 K N 1.441 121.924 120.400 0.138 0.000 2.098 114 K HA 0.131 4.451 4.320 -0.001 0.000 0.203 114 K C 1.242 177.961 176.600 0.198 0.000 1.051 114 K CA 1.022 57.400 56.287 0.152 0.000 0.957 114 K CB -0.581 31.987 32.500 0.114 0.000 0.738 114 K HN 0.899 nan 8.250 nan 0.000 0.447 115 G N 0.713 109.607 108.800 0.157 0.000 2.601 115 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.261 115 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.261 115 G C -2.384 172.540 174.900 0.040 0.000 1.289 115 G CA -0.137 45.063 45.100 0.166 0.000 0.920 115 G HN 0.288 nan 8.290 nan 0.000 0.571 116 P HA 0.292 nan 4.420 nan 0.000 0.230 116 P C 0.037 177.010 177.300 -0.545 0.000 1.791 116 P CA 0.260 63.179 63.100 -0.301 0.000 1.020 116 P CB -0.008 31.496 31.700 -0.326 0.000 1.977 117 E N 1.006 121.009 120.200 -0.329 0.000 2.349 117 E HA 0.372 4.721 4.350 -0.001 0.000 0.262 117 E C 0.043 176.493 176.600 -0.251 0.000 1.088 117 E CA -0.613 55.605 56.400 -0.304 0.000 0.899 117 E CB 1.020 30.677 29.700 -0.073 0.000 1.044 117 E HN 0.252 nan 8.360 nan 0.000 0.420 118 I N 2.458 122.905 120.570 -0.205 0.000 2.448 118 I HA 0.303 4.472 4.170 -0.001 0.000 0.281 118 I C -0.384 175.694 176.117 -0.066 0.000 1.027 118 I CA -0.386 60.825 61.300 -0.147 0.000 1.111 118 I CB 1.111 39.011 38.000 -0.166 0.000 1.236 118 I HN 0.213 nan 8.210 nan 0.000 0.452 119 R N 3.265 123.736 120.500 -0.047 0.000 2.562 119 R HA 0.506 4.846 4.340 -0.001 0.000 0.298 119 R C -0.034 176.263 176.300 -0.005 0.000 0.961 119 R CA -0.737 55.367 56.100 0.007 0.000 0.881 119 R CB 2.376 32.708 30.300 0.054 0.000 1.159 119 R HN 0.620 nan 8.270 nan 0.000 0.450 120 T N -0.607 113.975 114.554 0.046 0.000 2.860 120 T HA 0.312 4.662 4.350 -0.001 0.000 0.299 120 T C 0.942 175.785 174.700 0.238 0.000 1.045 120 T CA -0.535 61.619 62.100 0.089 0.000 1.071 120 T CB 1.371 70.299 68.868 0.101 0.000 0.985 120 T HN 0.616 nan 8.240 nan 0.000 0.537 121 G N 0.974 110.053 108.800 0.464 0.000 2.485 121 G HA2 0.476 4.435 3.960 -0.001 0.000 0.260 121 G HA3 0.476 4.435 3.960 -0.001 0.000 0.260 121 G C -0.109 174.937 174.900 0.244 0.000 1.459 121 G CA -1.123 44.273 45.100 0.492 0.000 1.060 121 G HN 0.831 nan 8.290 nan 0.000 0.546 122 L N -0.143 121.172 121.223 0.154 0.000 2.466 122 L HA 0.268 4.607 4.340 -0.001 0.000 0.257 122 L C 1.513 178.438 176.870 0.092 0.000 1.189 122 L CA -0.257 54.641 54.840 0.096 0.000 0.813 122 L CB 1.318 43.407 42.059 0.049 0.000 1.118 122 L HN 0.568 nan 8.230 nan 0.000 0.471 123 I N 0.915 121.530 120.570 0.074 0.000 3.158 123 I HA -0.062 4.107 4.170 -0.001 0.000 0.224 123 I C 1.046 177.193 176.117 0.050 0.000 1.041 123 I CA 0.561 61.902 61.300 0.068 0.000 1.433 123 I CB 0.180 38.218 38.000 0.064 0.000 1.288 123 I HN 0.494 nan 8.210 nan 0.000 0.424 124 K N 1.680 122.104 120.400 0.040 0.000 2.827 124 K HA 0.256 4.576 4.320 -0.001 0.000 0.222 124 K C 0.366 176.978 176.600 0.020 0.000 1.114 124 K CA 0.487 56.792 56.287 0.029 0.000 1.206 124 K CB -0.035 32.481 32.500 0.027 0.000 1.035 124 K HN 0.742 nan 8.250 nan 0.000 0.464 125 G N 1.112 109.923 108.800 0.019 0.000 2.225 125 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.267 125 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.267 125 G C -0.173 174.733 174.900 0.009 0.000 1.024 125 G CA 0.542 45.646 45.100 0.006 0.000 0.784 125 G HN 0.320 nan 8.290 nan 0.000 0.507 126 S N -1.779 113.931 115.700 0.018 0.000 2.569 126 S HA 0.730 5.200 4.470 -0.001 0.000 0.280 126 S C 1.436 176.049 174.600 0.022 0.000 1.111 126 S CA 0.036 58.245 58.200 0.016 0.000 0.887 126 S CB 1.819 65.029 63.200 0.017 0.000 1.095 126 S HN 0.977 nan 8.310 nan 0.000 0.476 127 G N 1.474 110.283 108.800 0.015 0.000 2.666 127 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.215 127 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.215 127 G C 0.315 175.229 174.900 0.023 0.000 1.294 127 G CA 0.773 45.883 45.100 0.016 0.000 0.811 127 G HN 0.665 nan 8.290 nan 0.000 0.594 128 T N 1.821 116.387 114.554 0.019 0.000 2.871 128 T HA 0.473 4.823 4.350 -0.001 0.000 0.296 128 T C 0.360 175.084 174.700 0.040 0.000 0.998 128 T CA 0.333 62.449 62.100 0.026 0.000 1.162 128 T CB 1.062 69.941 68.868 0.018 0.000 0.947 128 T HN 0.569 nan 8.240 nan 0.000 0.536 129 A N 3.313 126.166 122.820 0.056 0.000 2.313 129 A HA 0.789 5.108 4.320 -0.001 0.000 0.323 129 A C 0.454 178.100 177.584 0.102 0.000 1.133 129 A CA -0.880 51.201 52.037 0.073 0.000 0.847 129 A CB 1.207 20.255 19.000 0.080 0.000 1.308 129 A HN 0.906 nan 8.150 nan 0.000 0.475 130 E N -0.581 119.687 120.200 0.114 0.000 4.369 130 E HA 0.596 4.945 4.350 -0.001 0.000 0.215 130 E C -0.120 176.572 176.600 0.152 0.000 1.019 130 E CA -0.062 56.440 56.400 0.170 0.000 1.158 130 E CB 0.002 29.778 29.700 0.127 0.000 1.929 130 E HN 1.898 nan 8.360 nan 0.000 0.426 131 V N 1.682 121.638 119.914 0.071 0.000 3.688 131 V HA -0.189 3.930 4.120 -0.001 0.000 0.524 131 V C 0.115 176.005 176.094 -0.340 0.000 0.682 131 V CA 1.172 63.428 62.300 -0.073 0.000 2.081 131 V CB 0.006 31.802 31.823 -0.044 0.000 2.490 131 V HN 0.977 nan 8.190 nan 0.000 0.515 132 E N 6.344 126.235 120.200 -0.515 0.000 3.310 132 E HA 0.674 5.024 4.350 -0.001 0.000 0.428 132 E C 0.813 177.160 176.600 -0.421 0.000 0.365 132 E CA 0.864 56.741 56.400 -0.872 0.000 2.592 132 E CB 0.477 29.742 29.700 -0.725 0.000 2.230 132 E HN 1.053 nan 8.360 nan 0.000 0.451 133 L N -1.809 119.234 121.223 -0.300 0.000 1.351 133 L HA 0.060 4.399 4.340 -0.001 0.000 0.035 133 L C -1.068 175.732 176.870 -0.116 0.000 1.688 133 L CA 0.025 54.767 54.840 -0.164 0.000 1.012 133 L CB -0.643 41.336 42.059 -0.133 0.000 1.881 133 L HN 0.524 nan 8.230 nan 0.000 0.400 134 K N 2.236 122.579 120.400 -0.095 0.000 7.426 134 K HA -0.184 4.135 4.320 -0.001 0.000 0.614 134 K C -0.710 175.865 176.600 -0.042 0.000 2.587 134 K CA 1.167 57.422 56.287 -0.053 0.000 1.979 134 K CB -0.219 32.257 32.500 -0.040 0.000 1.957 134 K HN 0.279 nan 8.250 nan 0.000 0.290 135 K N 1.886 122.269 120.400 -0.029 0.000 2.467 135 K HA -0.218 4.101 4.320 -0.001 0.000 0.249 135 K C 1.449 178.033 176.600 -0.027 0.000 1.077 135 K CA 1.281 57.553 56.287 -0.025 0.000 1.115 135 K CB -0.559 31.933 32.500 -0.014 0.000 0.707 135 K HN 1.025 nan 8.250 nan 0.000 0.422 136 G N 1.414 110.199 108.800 -0.025 0.000 2.826 136 G HA2 -0.451 3.508 3.960 -0.001 0.000 0.235 136 G HA3 -0.451 3.508 3.960 -0.001 0.000 0.235 136 G C 0.486 175.370 174.900 -0.026 0.000 1.159 136 G CA 0.662 45.748 45.100 -0.023 0.000 0.756 136 G HN 1.341 nan 8.290 nan 0.000 0.525 137 A N 1.554 124.355 122.820 -0.032 0.000 2.519 137 A HA 0.425 4.744 4.320 -0.001 0.000 0.275 137 A C 0.979 178.544 177.584 -0.032 0.000 1.082 137 A CA 1.605 53.621 52.037 -0.035 0.000 0.841 137 A CB -0.411 18.559 19.000 -0.049 0.000 0.984 137 A HN 0.995 nan 8.150 nan 0.000 0.531 138 T N 3.797 118.336 114.554 -0.024 0.000 2.930 138 T HA 0.360 4.709 4.350 -0.001 0.000 0.306 138 T C 0.054 174.745 174.700 -0.016 0.000 1.045 138 T CA 0.305 62.395 62.100 -0.017 0.000 1.134 138 T CB 0.423 69.287 68.868 -0.007 0.000 0.961 138 T HN 0.566 nan 8.240 nan 0.000 0.545 139 L N 2.811 124.028 121.223 -0.010 0.000 2.388 139 L HA 0.648 4.987 4.340 -0.001 0.000 0.264 139 L C -0.687 176.195 176.870 0.020 0.000 0.998 139 L CA -0.841 53.996 54.840 -0.004 0.000 0.817 139 L CB 2.036 44.087 42.059 -0.014 0.000 1.338 139 L HN 0.614 nan 8.230 nan 0.000 0.414 140 K N 4.730 125.150 120.400 0.033 0.000 2.274 140 K HA 0.561 4.881 4.320 -0.001 0.000 0.262 140 K C -1.077 175.576 176.600 0.087 0.000 0.961 140 K CA -0.536 55.797 56.287 0.078 0.000 0.833 140 K CB 1.344 33.883 32.500 0.066 0.000 1.102 140 K HN 0.628 nan 8.250 nan 0.000 0.436 141 I N 4.931 125.565 120.570 0.106 0.000 2.306 141 I HA 0.118 4.287 4.170 -0.001 0.000 0.288 141 I C 0.302 176.505 176.117 0.145 0.000 1.036 141 I CA -0.585 60.767 61.300 0.087 0.000 1.221 141 I CB 1.308 39.322 38.000 0.024 0.000 1.385 141 I HN 0.667 nan 8.210 nan 0.000 0.472 142 T N 3.412 118.078 114.554 0.186 0.000 2.929 142 T HA 0.557 4.906 4.350 -0.001 0.000 0.284 142 T C 0.654 175.510 174.700 0.259 0.000 1.014 142 T CA -0.743 61.513 62.100 0.260 0.000 1.051 142 T CB 2.038 71.098 68.868 0.319 0.000 1.028 142 T HN 0.443 nan 8.240 nan 0.000 0.485 143 L N -0.083 121.292 121.223 0.254 0.000 2.638 143 L HA 0.276 4.615 4.340 -0.001 0.000 0.232 143 L C 1.108 178.255 176.870 0.462 0.000 1.099 143 L CA -0.238 54.733 54.840 0.218 0.000 0.883 143 L CB 0.080 42.186 42.059 0.078 0.000 1.136 143 L HN 0.721 nan 8.230 nan 0.000 0.492 144 D N 1.936 122.560 120.400 0.374 0.000 2.419 144 D HA -0.130 4.509 4.640 -0.001 0.000 0.281 144 D C 0.851 177.220 176.300 0.116 0.000 1.398 144 D CA 0.352 54.484 54.000 0.219 0.000 1.047 144 D CB 0.345 41.278 40.800 0.222 0.000 1.115 144 D HN 0.158 nan 8.370 nan 0.000 0.540 145 N N 2.665 121.397 118.700 0.053 0.000 2.651 145 N HA -0.163 4.577 4.740 -0.001 0.000 0.193 145 N C 1.345 176.598 175.510 -0.428 0.000 1.149 145 N CA 0.544 53.446 53.050 -0.247 0.000 0.933 145 N CB 0.259 38.694 38.487 -0.087 0.000 0.974 145 N HN 0.482 nan 8.380 nan 0.000 0.448 146 A N 0.380 122.943 122.820 -0.429 0.000 1.855 146 A HA -0.116 4.204 4.320 -0.001 0.000 0.215 146 A C 1.023 178.258 177.584 -0.581 0.000 1.191 146 A CA 0.975 52.666 52.037 -0.576 0.000 0.613 146 A CB -0.664 17.834 19.000 -0.837 0.000 0.829 146 A HN 0.288 nan 8.150 nan 0.000 0.442 147 Y N -0.058 120.150 120.300 -0.152 0.000 2.496 147 Y HA 0.208 4.757 4.550 -0.001 0.000 0.313 147 Y C 1.797 177.563 175.900 -0.223 0.000 1.184 147 Y CA 0.062 58.090 58.100 -0.119 0.000 1.275 147 Y CB -0.951 37.496 38.460 -0.021 0.000 1.103 147 Y HN 0.398 nan 8.280 nan 0.000 0.513 148 M N 0.543 119.860 119.600 -0.471 0.000 2.163 148 M HA -0.295 4.184 4.480 -0.001 0.000 0.258 148 M C 0.861 176.931 176.300 -0.383 0.000 1.071 148 M CA 2.124 56.874 55.300 -0.915 0.000 1.093 148 M CB -0.050 31.916 32.600 -1.056 0.000 1.285 148 M HN 0.281 nan 8.290 nan 0.000 0.420 149 E N 0.260 120.315 120.200 -0.242 0.000 2.349 149 E HA 0.065 4.415 4.350 -0.001 0.000 0.201 149 E C -0.009 176.578 176.600 -0.023 0.000 1.087 149 E CA 0.012 56.354 56.400 -0.096 0.000 1.128 149 E CB 0.102 29.746 29.700 -0.094 0.000 1.188 149 E HN 0.472 nan 8.360 nan 0.000 0.445 150 K N 0.404 120.814 120.400 0.016 0.000 2.972 150 K HA 0.210 4.529 4.320 -0.001 0.000 0.209 150 K C -0.321 176.329 176.600 0.084 0.000 1.128 150 K CA -0.422 55.900 56.287 0.058 0.000 1.024 150 K CB -0.830 31.724 32.500 0.089 0.000 0.754 150 K HN 0.107 nan 8.250 nan 0.000 0.454 151 C N 3.037 122.395 119.300 0.097 0.000 2.637 151 C HA 0.498 4.958 4.460 -0.001 0.000 0.418 151 C C 0.542 175.571 174.990 0.066 0.000 1.319 151 C CA -0.322 58.761 59.018 0.108 0.000 1.949 151 C CB -0.359 27.466 27.740 0.143 0.000 2.639 151 C HN 0.865 nan 8.230 nan 0.000 0.594 152 D N 1.655 122.082 120.400 0.044 0.000 2.904 152 D HA 0.186 4.826 4.640 -0.001 0.000 0.290 152 D C 0.061 176.363 176.300 0.004 0.000 1.180 152 D CA -0.415 53.597 54.000 0.020 0.000 1.065 152 D CB 0.401 41.204 40.800 0.005 0.000 1.386 152 D HN 0.294 nan 8.370 nan 0.000 0.599 153 E N -0.349 119.843 120.200 -0.014 0.000 2.333 153 E HA -0.033 4.316 4.350 -0.001 0.000 0.198 153 E C 1.034 177.614 176.600 -0.033 0.000 1.007 153 E CA 1.158 57.537 56.400 -0.034 0.000 0.845 153 E CB -0.097 29.577 29.700 -0.044 0.000 0.766 153 E HN 0.303 nan 8.360 nan 0.000 0.507 154 N N -0.269 118.415 118.700 -0.027 0.000 2.503 154 N HA 0.152 4.891 4.740 -0.001 0.000 0.210 154 N C 0.406 175.904 175.510 -0.019 0.000 1.077 154 N CA 0.191 53.224 53.050 -0.029 0.000 0.855 154 N CB 1.039 39.501 38.487 -0.041 0.000 1.323 154 N HN 0.205 nan 8.380 nan 0.000 0.452 155 I N -0.365 120.194 120.570 -0.017 0.000 2.406 155 I HA 0.546 4.715 4.170 -0.001 0.000 0.290 155 I C -1.142 175.013 176.117 0.064 0.000 0.999 155 I CA -0.981 60.322 61.300 0.005 0.000 1.124 155 I CB 1.913 39.875 38.000 -0.063 0.000 1.289 155 I HN -0.272 nan 8.210 nan 0.000 0.441 156 L N 6.847 128.128 121.223 0.097 0.000 2.365 156 L HA 0.639 4.978 4.340 -0.001 0.000 0.273 156 L C -1.531 175.466 176.870 0.213 0.000 1.000 156 L CA -0.270 54.653 54.840 0.138 0.000 0.819 156 L CB 1.860 43.968 42.059 0.082 0.000 1.284 156 L HN 0.847 nan 8.230 nan 0.000 0.418 157 W N 6.351 127.693 121.300 0.069 0.000 2.551 157 W HA 0.706 5.365 4.660 -0.001 0.000 0.330 157 W C -1.762 174.799 176.519 0.070 0.000 1.063 157 W CA -0.689 56.704 57.345 0.080 0.000 1.222 157 W CB 1.143 30.658 29.460 0.092 0.000 1.349 157 W HN 0.408 nan 8.180 nan 0.000 0.536 158 L N 5.431 126.077 121.223 -0.961 0.000 2.342 158 L HA 0.258 4.597 4.340 -0.001 0.000 0.271 158 L C 0.729 176.655 176.870 -1.573 0.000 1.008 158 L CA -0.774 53.522 54.840 -0.908 0.000 0.818 158 L CB 1.965 43.782 42.059 -0.403 0.000 1.296 158 L HN 0.594 nan 8.230 nan 0.000 0.427 159 D N -0.392 119.415 120.400 -0.987 0.000 2.349 159 D HA -0.141 4.499 4.640 -0.001 0.000 0.224 159 D C 0.093 176.280 176.300 -0.189 0.000 1.029 159 D CA 0.289 53.916 54.000 -0.621 0.000 0.879 159 D CB -0.031 40.679 40.800 -0.150 0.000 0.906 159 D HN 0.274 nan 8.370 nan 0.000 0.528 160 Y N 1.929 122.026 120.300 -0.337 0.000 2.504 160 Y HA 0.339 4.888 4.550 -0.001 0.000 0.339 160 Y C 0.913 176.713 175.900 -0.166 0.000 0.974 160 Y CA -1.522 56.461 58.100 -0.195 0.000 1.232 160 Y CB 0.757 39.113 38.460 -0.174 0.000 1.108 160 Y HN -0.272 nan 8.280 nan 0.000 0.509 161 K N 2.721 122.993 120.400 -0.213 0.000 2.097 161 K HA -0.117 4.202 4.320 -0.001 0.000 0.205 161 K C 0.674 177.032 176.600 -0.405 0.000 1.050 161 K CA 1.625 57.764 56.287 -0.246 0.000 0.938 161 K CB 0.156 32.614 32.500 -0.071 0.000 0.718 161 K HN 0.523 nan 8.250 nan 0.000 0.442 162 N N 1.148 119.480 118.700 -0.614 0.000 2.370 162 N HA 0.070 4.809 4.740 -0.001 0.000 0.198 162 N C 1.147 176.233 175.510 -0.708 0.000 1.156 162 N CA 0.002 52.752 53.050 -0.500 0.000 0.839 162 N CB -0.002 38.344 38.487 -0.234 0.000 0.989 162 N HN 0.137 nan 8.380 nan 0.000 0.468 163 I N -0.397 119.500 120.570 -1.122 0.000 2.381 163 I HA -0.391 3.779 4.170 -0.001 0.000 0.255 163 I C 0.985 176.940 176.117 -0.269 0.000 1.140 163 I CA 1.135 62.020 61.300 -0.692 0.000 1.404 163 I CB 0.052 37.794 38.000 -0.432 0.000 1.075 163 I HN 0.249 nan 8.210 nan 0.000 0.433 164 C N 0.499 119.653 119.300 -0.245 0.000 2.448 164 C HA -0.052 4.408 4.460 -0.001 0.000 0.280 164 C C 2.377 177.296 174.990 -0.119 0.000 1.398 164 C CA 0.525 59.449 59.018 -0.158 0.000 1.774 164 C CB -1.057 26.598 27.740 -0.142 0.000 1.888 164 C HN 0.452 nan 8.230 nan 0.000 0.519 165 K N 0.944 121.273 120.400 -0.117 0.000 2.400 165 K HA 0.024 4.343 4.320 -0.001 0.000 0.194 165 K C 1.593 178.170 176.600 -0.037 0.000 1.033 165 K CA 0.848 57.093 56.287 -0.069 0.000 1.021 165 K CB 0.121 32.584 32.500 -0.061 0.000 0.808 165 K HN 0.553 nan 8.250 nan 0.000 0.505 166 V N -2.058 117.843 119.914 -0.022 0.000 3.644 166 V HA 0.119 4.238 4.120 -0.001 0.000 0.267 166 V C 0.686 176.787 176.094 0.012 0.000 1.277 166 V CA -0.499 61.814 62.300 0.021 0.000 1.096 166 V CB -0.173 31.708 31.823 0.096 0.000 0.828 166 V HN -0.025 nan 8.190 nan 0.000 0.446 167 V N -1.763 118.145 119.914 -0.010 0.000 3.096 167 V HA 0.777 4.897 4.120 -0.001 0.000 0.319 167 V C -0.840 175.232 176.094 -0.037 0.000 1.103 167 V CA -0.513 61.778 62.300 -0.016 0.000 1.016 167 V CB 1.927 33.739 31.823 -0.018 0.000 1.090 167 V HN 0.290 nan 8.190 nan 0.000 0.449 168 D N -0.150 120.228 120.400 -0.035 0.000 2.714 168 D HA 0.382 5.021 4.640 -0.001 0.000 0.278 168 D C -0.923 175.348 176.300 -0.049 0.000 1.102 168 D CA -0.385 53.589 54.000 -0.044 0.000 1.108 168 D CB 2.275 43.056 40.800 -0.032 0.000 1.444 168 D HN 0.719 nan 8.370 nan 0.000 0.568 169 V N 0.184 120.068 119.914 -0.050 0.000 2.479 169 V HA 0.445 4.565 4.120 -0.001 0.000 0.281 169 V C 1.103 177.176 176.094 -0.035 0.000 1.031 169 V CA 1.634 63.905 62.300 -0.049 0.000 1.038 169 V CB -0.018 31.777 31.823 -0.046 0.000 0.981 169 V HN 0.893 nan 8.190 nan 0.000 0.478 170 G N 4.027 112.806 108.800 -0.034 0.000 2.238 170 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.217 170 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.217 170 G C 0.458 175.345 174.900 -0.021 0.000 0.996 170 G CA 0.137 45.222 45.100 -0.025 0.000 0.632 170 G HN 1.122 nan 8.290 nan 0.000 0.503 171 S N 1.660 117.347 115.700 -0.022 0.000 2.573 171 S HA 0.486 4.956 4.470 -0.001 0.000 0.277 171 S C 0.339 174.928 174.600 -0.018 0.000 1.346 171 S CA 0.089 58.283 58.200 -0.010 0.000 1.034 171 S CB 1.047 64.240 63.200 -0.010 0.000 0.879 171 S HN 0.395 nan 8.310 nan 0.000 0.528 172 K N 1.353 121.755 120.400 0.003 0.000 2.156 172 K HA 0.621 4.940 4.320 -0.001 0.000 0.254 172 K C -1.044 175.541 176.600 -0.025 0.000 0.950 172 K CA -0.638 55.623 56.287 -0.044 0.000 0.849 172 K CB 1.738 34.237 32.500 -0.002 0.000 1.100 172 K HN 0.345 nan 8.250 nan 0.000 0.434 173 V N 3.145 122.974 119.914 -0.141 0.000 2.577 173 V HA 0.335 4.454 4.120 -0.001 0.000 0.303 173 V C -1.286 174.692 176.094 -0.193 0.000 1.042 173 V CA -0.956 61.309 62.300 -0.057 0.000 0.872 173 V CB 1.231 33.031 31.823 -0.040 0.000 0.998 173 V HN 0.558 nan 8.190 nan 0.000 0.423 174 Y N 3.016 123.325 120.300 0.015 0.000 2.360 174 Y HA 0.719 5.268 4.550 -0.001 0.000 0.337 174 Y C 0.077 175.992 175.900 0.025 0.000 1.039 174 Y CA -0.735 57.378 58.100 0.022 0.000 1.109 174 Y CB 2.072 40.549 38.460 0.029 0.000 1.201 174 Y HN 0.376 nan 8.280 nan 0.000 0.458 175 V N 2.258 122.248 119.914 0.127 0.000 2.656 175 V HA 0.312 4.432 4.120 -0.001 0.000 0.307 175 V C -0.842 175.319 176.094 0.111 0.000 1.051 175 V CA -1.274 61.085 62.300 0.098 0.000 0.893 175 V CB 1.679 33.533 31.823 0.052 0.000 0.999 175 V HN 0.830 nan 8.190 nan 0.000 0.426 176 D N 4.126 124.590 120.400 0.108 0.000 3.357 176 D HA -0.162 4.478 4.640 -0.001 0.000 0.238 176 D C 0.201 176.569 176.300 0.113 0.000 1.126 176 D CA 1.038 55.102 54.000 0.106 0.000 0.984 176 D CB -0.763 40.097 40.800 0.099 0.000 0.925 176 D HN 0.902 nan 8.370 nan 0.000 0.414 177 D N 1.237 121.705 120.400 0.112 0.000 2.708 177 D HA -0.168 4.471 4.640 -0.001 0.000 0.236 177 D C 1.343 177.709 176.300 0.110 0.000 1.146 177 D CA 1.964 56.024 54.000 0.100 0.000 0.662 177 D CB -1.544 39.306 40.800 0.083 0.000 1.059 177 D HN 1.264 nan 8.370 nan 0.000 0.428 178 G N -0.788 108.111 108.800 0.165 0.000 2.186 178 G HA2 -0.407 3.553 3.960 -0.001 0.000 0.266 178 G HA3 -0.407 3.553 3.960 -0.001 0.000 0.266 178 G C 1.221 176.288 174.900 0.279 0.000 0.982 178 G CA 0.846 46.107 45.100 0.269 0.000 0.670 178 G HN 0.528 nan 8.290 nan 0.000 0.533 179 L N -0.663 120.665 121.223 0.175 0.000 2.109 179 L HA 0.242 4.581 4.340 -0.001 0.000 0.207 179 L C 1.707 178.649 176.870 0.121 0.000 1.086 179 L CA 0.785 55.706 54.840 0.135 0.000 0.760 179 L CB -0.128 41.995 42.059 0.107 0.000 0.910 179 L HN 0.287 nan 8.230 nan 0.000 0.437 180 I N -0.607 120.027 120.570 0.107 0.000 2.385 180 I HA 0.146 4.315 4.170 -0.001 0.000 0.294 180 I C 0.132 176.218 176.117 -0.052 0.000 0.988 180 I CA -0.073 61.248 61.300 0.035 0.000 1.265 180 I CB 1.763 39.780 38.000 0.030 0.000 1.388 180 I HN -0.065 nan 8.210 nan 0.000 0.480 181 S N 7.338 122.951 115.700 -0.145 0.000 2.532 181 S HA 0.767 5.237 4.470 -0.001 0.000 0.299 181 S C -0.978 173.474 174.600 -0.246 0.000 1.105 181 S CA -0.600 57.384 58.200 -0.361 0.000 1.018 181 S CB 0.847 63.823 63.200 -0.373 0.000 1.021 181 S HN 0.477 nan 8.310 nan 0.000 0.483 182 L N 3.225 124.288 121.223 -0.267 0.000 2.333 182 L HA 0.679 5.018 4.340 -0.001 0.000 0.263 182 L C -0.469 176.313 176.870 -0.148 0.000 1.014 182 L CA -0.833 53.914 54.840 -0.156 0.000 0.820 182 L CB 2.161 44.157 42.059 -0.107 0.000 1.352 182 L HN 0.674 nan 8.230 nan 0.000 0.421 183 Q N 0.939 120.681 119.800 -0.095 0.000 2.274 183 Q HA 0.404 4.744 4.340 -0.001 0.000 0.268 183 Q C -1.520 174.446 176.000 -0.056 0.000 1.015 183 Q CA -0.665 55.093 55.803 -0.074 0.000 0.775 183 Q CB 2.436 31.137 28.738 -0.062 0.000 1.256 183 Q HN 0.472 nan 8.270 nan 0.000 0.442 184 V N 5.654 125.536 119.914 -0.055 0.000 2.458 184 V HA -0.047 4.073 4.120 -0.001 0.000 0.287 184 V C 0.634 176.697 176.094 -0.052 0.000 1.009 184 V CA 0.482 62.748 62.300 -0.058 0.000 1.091 184 V CB 0.361 32.145 31.823 -0.064 0.000 0.960 184 V HN 0.775 nan 8.190 nan 0.000 0.476 185 K N 3.103 123.474 120.400 -0.048 0.000 2.262 185 K HA 0.157 4.476 4.320 -0.001 0.000 0.200 185 K C 0.702 177.274 176.600 -0.047 0.000 1.058 185 K CA 0.543 56.807 56.287 -0.038 0.000 0.974 185 K CB 0.327 32.813 32.500 -0.024 0.000 0.910 185 K HN 0.678 nan 8.250 nan 0.000 0.484 186 Q N 1.274 121.035 119.800 -0.064 0.000 2.309 186 Q HA 0.190 4.529 4.340 -0.001 0.000 0.270 186 Q C -1.151 174.727 176.000 -0.204 0.000 1.023 186 Q CA -0.275 55.474 55.803 -0.091 0.000 0.758 186 Q CB 1.686 30.402 28.738 -0.036 0.000 1.247 186 Q HN -0.091 nan 8.270 nan 0.000 0.455 187 K N 3.409 123.681 120.400 -0.213 0.000 2.265 187 K HA 0.316 4.636 4.320 -0.001 0.000 0.242 187 K C -0.182 176.177 176.600 -0.402 0.000 1.137 187 K CA -0.184 55.925 56.287 -0.297 0.000 1.082 187 K CB 0.040 32.431 32.500 -0.181 0.000 1.731 187 K HN 0.734 nan 8.250 nan 0.000 0.392 188 G N 2.873 111.182 108.800 -0.819 0.000 2.572 188 G HA2 0.195 4.154 3.960 -0.001 0.000 0.261 188 G HA3 0.195 4.154 3.960 -0.001 0.000 0.261 188 G C -2.574 172.017 174.900 -0.514 0.000 1.197 188 G CA -1.307 43.330 45.100 -0.772 0.000 0.870 188 G HN 0.377 nan 8.290 nan 0.000 0.548 189 P HA 0.188 nan 4.420 nan 0.000 0.270 189 P C -0.157 177.257 177.300 0.190 0.000 1.242 189 P CA 0.583 63.711 63.100 0.047 0.000 0.768 189 P CB 0.800 32.552 31.700 0.087 0.000 0.820 190 D N 2.462 122.915 120.400 0.088 0.000 3.091 190 D HA -0.174 4.465 4.640 -0.001 0.000 0.216 190 D C -0.855 175.614 176.300 0.282 0.000 1.129 190 D CA 1.276 55.364 54.000 0.147 0.000 0.913 190 D CB -1.650 39.248 40.800 0.164 0.000 1.101 190 D HN 0.326 nan 8.370 nan 0.000 0.426 191 F N -2.009 117.935 119.950 -0.011 0.000 2.746 191 F HA 0.586 5.112 4.527 -0.001 0.000 0.311 191 F C -2.309 173.481 175.800 -0.017 0.000 1.135 191 F CA -1.408 56.590 58.000 -0.003 0.000 0.954 191 F CB 0.676 39.688 39.000 0.019 0.000 1.276 191 F HN -0.160 nan 8.300 nan 0.000 0.440 192 L N 3.442 124.609 121.223 -0.093 0.000 2.385 192 L HA 0.633 4.972 4.340 -0.001 0.000 0.273 192 L C -0.737 176.132 176.870 -0.002 0.000 0.990 192 L CA -1.051 53.673 54.840 -0.193 0.000 0.821 192 L CB 1.601 43.590 42.059 -0.117 0.000 1.279 192 L HN 0.698 nan 8.230 nan 0.000 0.412 193 V N 2.786 122.680 119.914 -0.033 0.000 2.333 193 V HA 0.569 4.689 4.120 -0.001 0.000 0.274 193 V C 0.526 176.619 176.094 -0.002 0.000 1.028 193 V CA -0.317 62.022 62.300 0.065 0.000 0.851 193 V CB 1.525 33.417 31.823 0.115 0.000 1.000 193 V HN 0.967 nan 8.190 nan 0.000 0.456 194 T N 1.398 115.952 114.554 -0.000 0.000 2.930 194 T HA 0.688 5.037 4.350 -0.001 0.000 0.290 194 T C -0.691 173.996 174.700 -0.023 0.000 1.052 194 T CA -0.806 61.280 62.100 -0.024 0.000 1.017 194 T CB 2.442 71.288 68.868 -0.036 0.000 1.137 194 T HN 0.609 nan 8.240 nan 0.000 0.511 195 E N 0.515 120.694 120.200 -0.035 0.000 2.183 195 E HA 0.483 4.832 4.350 -0.001 0.000 0.271 195 E C -0.983 175.587 176.600 -0.049 0.000 0.919 195 E CA -1.066 55.313 56.400 -0.035 0.000 0.781 195 E CB 2.057 31.739 29.700 -0.031 0.000 1.140 195 E HN 0.580 nan 8.360 nan 0.000 0.402 196 V N 5.434 125.319 119.914 -0.048 0.000 2.415 196 V HA 0.058 4.178 4.120 -0.001 0.000 0.267 196 V C 0.516 176.576 176.094 -0.056 0.000 1.042 196 V CA 0.632 62.897 62.300 -0.058 0.000 1.000 196 V CB 0.770 32.560 31.823 -0.055 0.000 1.015 196 V HN 0.856 nan 8.190 nan 0.000 0.478 197 E N 4.449 124.605 120.200 -0.072 0.000 2.022 197 E HA 0.058 4.407 4.350 -0.001 0.000 0.190 197 E C 0.398 176.972 176.600 -0.043 0.000 0.973 197 E CA 0.644 57.008 56.400 -0.060 0.000 0.816 197 E CB 0.150 29.802 29.700 -0.080 0.000 0.781 197 E HN 0.785 nan 8.360 nan 0.000 0.456 198 N N -0.467 118.201 118.700 -0.053 0.000 3.040 198 N HA 0.308 5.048 4.740 -0.001 0.000 0.339 198 N C 0.294 175.795 175.510 -0.014 0.000 1.387 198 N CA 0.389 53.429 53.050 -0.017 0.000 0.745 198 N CB 0.140 38.631 38.487 0.007 0.000 1.237 198 N HN 0.234 nan 8.380 nan 0.000 0.565 199 G N -1.779 107.032 108.800 0.018 0.000 2.916 199 G HA2 0.026 3.986 3.960 -0.001 0.000 0.533 199 G HA3 0.026 3.986 3.960 -0.001 0.000 0.533 199 G C 0.310 175.221 174.900 0.018 0.000 1.516 199 G CA 0.189 45.307 45.100 0.030 0.000 0.944 199 G HN 0.851 nan 8.290 nan 0.000 0.555 200 G N -0.999 107.824 108.800 0.039 0.000 2.610 200 G HA2 0.499 4.458 3.960 -0.001 0.000 0.171 200 G HA3 0.499 4.458 3.960 -0.001 0.000 0.171 200 G C -0.083 174.720 174.900 -0.162 0.000 1.281 200 G CA -0.044 45.046 45.100 -0.017 0.000 0.691 200 G HN 0.784 nan 8.290 nan 0.000 0.691 201 F N 1.996 121.959 119.950 0.022 0.000 2.404 201 F HA 0.612 5.138 4.527 -0.001 0.000 0.354 201 F C -0.072 175.746 175.800 0.029 0.000 1.122 201 F CA -0.793 57.221 58.000 0.024 0.000 1.080 201 F CB 2.093 41.106 39.000 0.022 0.000 1.131 201 F HN 0.003 nan 8.300 nan 0.000 0.471 202 L N 4.075 125.371 121.223 0.121 0.000 2.307 202 L HA 0.742 5.082 4.340 -0.001 0.000 0.284 202 L C -0.059 176.880 176.870 0.115 0.000 1.023 202 L CA 0.039 54.939 54.840 0.100 0.000 0.810 202 L CB 1.046 43.135 42.059 0.049 0.000 1.231 202 L HN 0.695 nan 8.230 nan 0.000 0.423 203 G N 3.030 111.894 108.800 0.107 0.000 2.702 203 G HA2 0.469 4.428 3.960 -0.001 0.000 0.254 203 G HA3 0.469 4.428 3.960 -0.001 0.000 0.254 203 G C -0.860 174.095 174.900 0.091 0.000 1.380 203 G CA -0.457 44.701 45.100 0.097 0.000 1.042 203 G HN 0.636 nan 8.290 nan 0.000 0.557 204 S N 0.435 116.185 115.700 0.084 0.000 2.585 204 S HA 0.389 4.859 4.470 -0.001 0.000 0.277 204 S C -0.151 174.512 174.600 0.106 0.000 1.241 204 S CA -0.531 57.725 58.200 0.092 0.000 1.041 204 S CB 1.186 64.431 63.200 0.076 0.000 0.987 204 S HN 0.493 nan 8.310 nan 0.000 0.512 205 K N 1.200 121.678 120.400 0.130 0.000 3.451 205 K HA -0.137 4.182 4.320 -0.001 0.000 0.273 205 K C -0.790 175.896 176.600 0.143 0.000 0.944 205 K CA 0.685 57.060 56.287 0.147 0.000 0.734 205 K CB -1.046 31.548 32.500 0.157 0.000 1.437 205 K HN 0.442 nan 8.250 nan 0.000 0.454 206 K N 0.099 120.572 120.400 0.122 0.000 2.130 206 K HA 0.331 4.650 4.320 -0.001 0.000 0.268 206 K C 0.941 177.603 176.600 0.103 0.000 0.983 206 K CA -0.248 56.109 56.287 0.115 0.000 0.893 206 K CB 1.262 33.824 32.500 0.102 0.000 1.066 206 K HN 0.340 nan 8.250 nan 0.000 0.450 207 G N 0.719 109.585 108.800 0.111 0.000 2.484 207 G HA2 0.285 4.244 3.960 -0.001 0.000 0.235 207 G HA3 0.285 4.244 3.960 -0.001 0.000 0.235 207 G C -0.493 174.456 174.900 0.081 0.000 1.282 207 G CA -0.285 44.872 45.100 0.095 0.000 0.857 207 G HN 0.242 nan 8.290 nan 0.000 0.571 208 V N 2.444 122.388 119.914 0.051 0.000 2.656 208 V HA 0.434 4.554 4.120 -0.001 0.000 0.307 208 V C -0.638 175.478 176.094 0.036 0.000 1.051 208 V CA -1.053 61.277 62.300 0.050 0.000 0.893 208 V CB 2.242 34.075 31.823 0.017 0.000 0.999 208 V HN 0.808 nan 8.190 nan 0.000 0.426 209 N N 3.527 122.281 118.700 0.090 0.000 2.249 209 N HA 0.663 5.402 4.740 -0.001 0.000 0.296 209 N C -1.372 174.210 175.510 0.120 0.000 1.051 209 N CA -0.579 52.518 53.050 0.078 0.000 0.815 209 N CB 1.998 40.539 38.487 0.091 0.000 1.487 209 N HN 0.378 nan 8.380 nan 0.000 0.475 210 L N 3.627 124.887 121.223 0.061 0.000 2.603 210 L HA 0.427 4.767 4.340 -0.001 0.000 0.242 210 L C -1.565 175.346 176.870 0.070 0.000 1.169 210 L CA -2.050 52.838 54.840 0.081 0.000 1.029 210 L CB 0.383 42.474 42.059 0.053 0.000 1.361 210 L HN 0.459 nan 8.230 nan 0.000 0.439 211 P HA -0.213 nan 4.420 nan 0.000 0.219 211 P C 1.265 178.589 177.300 0.039 0.000 1.159 211 P CA 1.699 64.834 63.100 0.058 0.000 0.944 211 P CB 0.324 32.066 31.700 0.069 0.000 0.792 212 G N -2.188 106.638 108.800 0.043 0.000 3.383 212 G HA2 0.417 4.376 3.960 -0.001 0.000 0.251 212 G HA3 0.417 4.376 3.960 -0.001 0.000 0.251 212 G C 0.172 175.071 174.900 -0.001 0.000 1.203 212 G CA 0.368 45.472 45.100 0.006 0.000 0.852 212 G HN 0.507 nan 8.290 nan 0.000 0.531 213 A N -0.388 122.439 122.820 0.012 0.000 2.322 213 A HA 0.831 5.150 4.320 -0.001 0.000 0.327 213 A C 0.129 177.717 177.584 0.005 0.000 1.134 213 A CA -0.262 51.783 52.037 0.014 0.000 0.831 213 A CB 1.464 20.487 19.000 0.038 0.000 1.288 213 A HN 0.782 nan 8.150 nan 0.000 0.472 214 A N 1.360 124.186 122.820 0.011 0.000 2.880 214 A HA 0.528 4.847 4.320 -0.001 0.000 0.328 214 A C -0.136 177.457 177.584 0.015 0.000 1.440 214 A CA -0.346 51.694 52.037 0.006 0.000 1.068 214 A CB -0.779 18.224 19.000 0.006 0.000 1.163 214 A HN 0.928 nan 8.150 nan 0.000 0.510 215 V N 2.867 122.764 119.914 -0.029 0.000 2.458 215 V HA -0.045 4.075 4.120 -0.001 0.000 0.287 215 V C 0.832 176.888 176.094 -0.064 0.000 1.009 215 V CA 0.834 63.077 62.300 -0.094 0.000 1.091 215 V CB 0.132 31.764 31.823 -0.318 0.000 0.960 215 V HN 0.930 nan 8.190 nan 0.000 0.476 216 D N 3.485 123.909 120.400 0.041 0.000 2.328 216 D HA 0.062 4.701 4.640 -0.001 0.000 0.226 216 D C 0.531 176.843 176.300 0.020 0.000 1.066 216 D CA -0.136 53.891 54.000 0.045 0.000 0.861 216 D CB -0.155 40.697 40.800 0.088 0.000 0.912 216 D HN 0.469 nan 8.370 nan 0.000 0.521 217 L N 1.179 122.363 121.223 -0.066 0.000 2.503 217 L HA 0.126 4.466 4.340 -0.001 0.000 0.287 217 L C -1.561 175.283 176.870 -0.044 0.000 1.252 217 L CA -1.235 53.563 54.840 -0.070 0.000 0.835 217 L CB -0.202 41.727 42.059 -0.218 0.000 1.099 217 L HN 0.017 nan 8.230 nan 0.000 0.516 218 P HA 0.061 nan 4.420 nan 0.000 0.276 218 P C -0.060 177.239 177.300 -0.001 0.000 1.235 218 P CA -0.281 62.819 63.100 0.000 0.000 0.772 218 P CB 1.402 33.111 31.700 0.015 0.000 0.871 219 A N 4.288 127.115 122.820 0.010 0.000 1.917 219 A HA -0.074 4.246 4.320 -0.001 0.000 0.219 219 A C 1.035 178.639 177.584 0.034 0.000 1.182 219 A CA 1.522 53.574 52.037 0.025 0.000 0.633 219 A CB -0.702 18.313 19.000 0.025 0.000 0.819 219 A HN 0.465 nan 8.150 nan 0.000 0.448 220 V N 0.797 120.729 119.914 0.030 0.000 2.407 220 V HA 0.449 4.569 4.120 -0.001 0.000 0.291 220 V C 0.254 176.368 176.094 0.033 0.000 1.018 220 V CA -0.107 62.214 62.300 0.035 0.000 0.842 220 V CB 1.288 33.131 31.823 0.034 0.000 0.996 220 V HN 0.601 nan 8.190 nan 0.000 0.426 221 S N 3.001 118.723 115.700 0.036 0.000 2.738 221 S HA 0.441 4.910 4.470 -0.001 0.000 0.284 221 S C 0.946 175.573 174.600 0.045 0.000 1.146 221 S CA -0.184 58.038 58.200 0.037 0.000 0.997 221 S CB 1.727 64.948 63.200 0.034 0.000 1.081 221 S HN 0.602 nan 8.310 nan 0.000 0.553 222 E N 0.793 121.020 120.200 0.045 0.000 2.077 222 E HA -0.110 4.240 4.350 -0.001 0.000 0.193 222 E C 1.778 178.414 176.600 0.060 0.000 0.989 222 E CA 1.366 57.795 56.400 0.048 0.000 0.800 222 E CB -0.252 29.474 29.700 0.043 0.000 0.746 222 E HN 0.576 nan 8.360 nan 0.000 0.452 223 K N 0.637 121.075 120.400 0.063 0.000 2.026 223 K HA -0.151 4.169 4.320 -0.001 0.000 0.208 223 K C 1.485 178.149 176.600 0.106 0.000 1.048 223 K CA 1.715 58.052 56.287 0.083 0.000 0.929 223 K CB -0.417 32.130 32.500 0.078 0.000 0.713 223 K HN 0.187 nan 8.250 nan 0.000 0.439 224 D N 0.772 121.221 120.400 0.082 0.000 2.097 224 D HA -0.132 4.507 4.640 -0.001 0.000 0.195 224 D C 2.122 178.459 176.300 0.062 0.000 0.989 224 D CA 0.929 54.970 54.000 0.069 0.000 0.827 224 D CB -0.261 40.570 40.800 0.053 0.000 0.966 224 D HN 0.251 nan 8.370 nan 0.000 0.456 225 I N 1.016 121.624 120.570 0.063 0.000 2.151 225 I HA -0.327 3.842 4.170 -0.001 0.000 0.243 225 I C 2.443 178.613 176.117 0.088 0.000 1.080 225 I CA 1.346 62.683 61.300 0.061 0.000 1.339 225 I CB -0.329 37.705 38.000 0.056 0.000 1.039 225 I HN 0.031 nan 8.210 nan 0.000 0.409 226 Q N 0.278 120.151 119.800 0.122 0.000 2.119 226 Q HA -0.195 4.145 4.340 -0.001 0.000 0.201 226 Q C 1.734 177.897 176.000 0.272 0.000 0.972 226 Q CA 1.329 57.249 55.803 0.194 0.000 0.847 226 Q CB -0.099 28.751 28.738 0.187 0.000 0.903 226 Q HN 0.530 nan 8.270 nan 0.000 0.433 227 D N 0.627 121.152 120.400 0.207 0.000 2.178 227 D HA -0.096 4.543 4.640 -0.001 0.000 0.202 227 D C 1.934 178.192 176.300 -0.071 0.000 0.974 227 D CA 0.825 54.866 54.000 0.068 0.000 0.841 227 D CB 0.034 40.826 40.800 -0.013 0.000 0.953 227 D HN 0.233 nan 8.370 nan 0.000 0.478 228 L N 0.391 121.596 121.223 -0.029 0.000 2.023 228 L HA -0.141 4.198 4.340 -0.001 0.000 0.205 228 L C 2.406 179.266 176.870 -0.017 0.000 1.073 228 L CA 0.922 55.727 54.840 -0.058 0.000 0.745 228 L CB -0.214 41.829 42.059 -0.025 0.000 0.900 228 L HN -0.135 nan 8.230 nan 0.000 0.435 229 K N -0.091 120.337 120.400 0.048 0.000 2.044 229 K HA -0.249 4.070 4.320 -0.001 0.000 0.210 229 K C 1.878 178.522 176.600 0.074 0.000 1.049 229 K CA 1.726 58.053 56.287 0.066 0.000 0.927 229 K CB -0.621 31.945 32.500 0.110 0.000 0.713 229 K HN 0.111 nan 8.250 nan 0.000 0.443 230 F N 0.376 120.304 119.950 -0.036 0.000 2.126 230 F HA -0.111 4.415 4.527 -0.002 0.000 0.299 230 F C 1.969 177.700 175.800 -0.116 0.000 1.096 230 F CA 1.946 59.899 58.000 -0.079 0.000 1.255 230 F CB -0.785 38.058 39.000 -0.263 0.000 0.997 230 F HN 0.090 nan 8.300 nan 0.000 0.479 231 G N -0.026 108.670 108.800 -0.175 0.000 2.440 231 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.218 231 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.218 231 G C 1.737 176.500 174.900 -0.228 0.000 1.154 231 G CA 1.295 46.239 45.100 -0.259 0.000 0.767 231 G HN 0.352 nan 8.290 nan 0.000 0.552 232 V N 0.533 120.356 119.914 -0.152 0.000 2.295 232 V HA -0.145 3.975 4.120 -0.001 0.000 0.246 232 V C 2.786 178.797 176.094 -0.139 0.000 1.049 232 V CA 2.044 64.278 62.300 -0.110 0.000 1.024 232 V CB -0.406 31.382 31.823 -0.059 0.000 0.648 232 V HN 0.228 nan 8.190 nan 0.000 0.447 233 E N 0.174 120.269 120.200 -0.175 0.000 2.058 233 E HA -0.200 4.149 4.350 -0.001 0.000 0.194 233 E C 2.318 178.765 176.600 -0.256 0.000 0.997 233 E CA 1.301 57.587 56.400 -0.189 0.000 0.801 233 E CB -0.352 29.233 29.700 -0.192 0.000 0.746 233 E HN 0.535 nan 8.360 nan 0.000 0.450 234 Q N 0.252 119.793 119.800 -0.431 0.000 2.436 234 Q HA -0.070 4.269 4.340 -0.001 0.000 0.209 234 Q C -0.115 175.763 176.000 -0.203 0.000 0.965 234 Q CA 0.784 56.363 55.803 -0.374 0.000 0.910 234 Q CB -0.139 28.267 28.738 -0.553 0.000 0.980 234 Q HN 0.244 nan 8.270 nan 0.000 0.491 235 D N -0.279 120.019 120.400 -0.171 0.000 2.778 235 D HA -0.136 4.503 4.640 -0.001 0.000 0.246 235 D C -0.449 175.799 176.300 -0.087 0.000 1.107 235 D CA 0.522 54.460 54.000 -0.103 0.000 0.732 235 D CB -1.184 39.574 40.800 -0.070 0.000 1.055 235 D HN 0.113 nan 8.370 nan 0.000 0.429 236 V N -1.920 117.927 119.914 -0.111 0.000 2.881 236 V HA 0.404 4.524 4.120 -0.001 0.000 0.303 236 V C 1.398 177.449 176.094 -0.072 0.000 1.070 236 V CA 0.105 62.344 62.300 -0.100 0.000 1.074 236 V CB 1.575 33.311 31.823 -0.145 0.000 1.012 236 V HN 0.085 nan 8.190 nan 0.000 0.482 237 D N 2.721 123.087 120.400 -0.056 0.000 2.249 237 D HA 0.121 4.761 4.640 -0.001 0.000 0.205 237 D C 0.672 176.953 176.300 -0.032 0.000 0.962 237 D CA 1.605 55.593 54.000 -0.021 0.000 0.860 237 D CB 0.364 41.172 40.800 0.013 0.000 0.955 237 D HN 0.824 nan 8.370 nan 0.000 0.505 238 M N -1.383 118.160 119.600 -0.096 0.000 2.644 238 M HA 0.516 4.995 4.480 -0.001 0.000 0.273 238 M C -1.742 174.436 176.300 -0.203 0.000 1.253 238 M CA -0.947 54.295 55.300 -0.097 0.000 0.852 238 M CB 2.946 35.524 32.600 -0.037 0.000 1.708 238 M HN -0.426 nan 8.290 nan 0.000 0.471 239 V N 1.919 121.773 119.914 -0.100 0.000 2.604 239 V HA 0.557 4.677 4.120 -0.001 0.000 0.305 239 V C -1.415 174.758 176.094 0.132 0.000 1.043 239 V CA -0.399 61.840 62.300 -0.102 0.000 0.888 239 V CB 2.032 33.821 31.823 -0.056 0.000 0.995 239 V HN 0.693 nan 8.190 nan 0.000 0.429 240 F N 3.259 123.179 119.950 -0.051 0.000 2.309 240 F HA 0.574 5.100 4.527 -0.000 0.000 0.366 240 F C 0.818 176.591 175.800 -0.046 0.000 1.104 240 F CA -1.614 56.358 58.000 -0.045 0.000 1.179 240 F CB 0.860 39.838 39.000 -0.037 0.000 1.437 240 F HN 0.544 nan 8.300 nan 0.000 0.528 241 A N 2.404 125.304 122.820 0.133 0.000 2.475 241 A HA 0.288 4.608 4.320 -0.001 0.000 0.293 241 A C 0.836 178.442 177.584 0.036 0.000 1.252 241 A CA 0.065 52.141 52.037 0.065 0.000 0.920 241 A CB -0.238 18.785 19.000 0.039 0.000 1.125 241 A HN 0.554 nan 8.150 nan 0.000 0.528 242 S N 1.846 117.576 115.700 0.050 0.000 2.572 242 S HA 0.356 4.825 4.470 -0.001 0.000 0.279 242 S C 0.419 175.061 174.600 0.071 0.000 1.341 242 S CA -0.027 58.159 58.200 -0.024 0.000 1.043 242 S CB -0.549 62.695 63.200 0.074 0.000 0.887 242 S HN 1.018 nan 8.310 nan 0.000 0.516 243 F N 0.200 120.148 119.950 -0.003 0.000 3.079 243 F HA -0.233 4.293 4.527 -0.001 0.000 0.285 243 F C 0.540 176.331 175.800 -0.015 0.000 0.819 243 F CA 0.604 58.595 58.000 -0.014 0.000 1.067 243 F CB -2.463 36.523 39.000 -0.024 0.000 1.263 243 F HN 0.652 nan 8.300 nan 0.000 0.458 244 I N 0.189 120.810 120.570 0.085 0.000 2.668 244 I HA 0.181 4.350 4.170 -0.001 0.000 0.285 244 I C 1.285 177.430 176.117 0.046 0.000 1.168 244 I CA 0.066 61.397 61.300 0.052 0.000 1.424 244 I CB 0.899 38.902 38.000 0.004 0.000 1.377 244 I HN 0.289 nan 8.210 nan 0.000 0.560 245 R N 4.912 125.438 120.500 0.043 0.000 2.437 245 R HA 0.417 4.756 4.340 -0.001 0.000 0.257 245 R C -0.337 175.970 176.300 0.013 0.000 0.927 245 R CA -0.536 55.588 56.100 0.041 0.000 1.078 245 R CB -0.067 30.267 30.300 0.057 0.000 1.161 245 R HN 0.814 nan 8.270 nan 0.000 0.529 246 K N -2.032 118.357 120.400 -0.018 0.000 2.642 246 K HA 0.508 4.827 4.320 -0.001 0.000 0.290 246 K C -0.119 176.420 176.600 -0.102 0.000 1.006 246 K CA -0.364 55.897 56.287 -0.044 0.000 0.869 246 K CB 0.744 33.232 32.500 -0.020 0.000 1.499 246 K HN -0.166 nan 8.250 nan 0.000 0.403 247 A N 1.102 123.840 122.820 -0.137 0.000 1.917 247 A HA -0.195 4.125 4.320 -0.001 0.000 0.219 247 A C 2.293 179.658 177.584 -0.365 0.000 1.182 247 A CA 2.760 54.630 52.037 -0.279 0.000 0.633 247 A CB -1.250 17.637 19.000 -0.189 0.000 0.819 247 A HN 0.885 nan 8.150 nan 0.000 0.448 248 A N 0.032 122.780 122.820 -0.119 0.000 1.917 248 A HA -0.250 4.070 4.320 -0.001 0.000 0.219 248 A C 1.767 179.329 177.584 -0.036 0.000 1.182 248 A CA 2.048 54.080 52.037 -0.007 0.000 0.633 248 A CB -0.683 18.337 19.000 0.034 0.000 0.819 248 A HN 0.515 nan 8.150 nan 0.000 0.448 249 D N -0.196 120.169 120.400 -0.057 0.000 2.104 249 D HA -0.124 4.515 4.640 -0.001 0.000 0.194 249 D C 2.098 178.366 176.300 -0.052 0.000 0.994 249 D CA 1.631 55.611 54.000 -0.032 0.000 0.830 249 D CB -0.629 40.159 40.800 -0.020 0.000 0.959 249 D HN 0.252 nan 8.370 nan 0.000 0.452 250 V N 0.768 120.600 119.914 -0.137 0.000 2.295 250 V HA -0.255 3.865 4.120 -0.001 0.000 0.246 250 V C 2.072 178.124 176.094 -0.070 0.000 1.049 250 V CA 1.780 63.999 62.300 -0.136 0.000 1.024 250 V CB -0.806 30.880 31.823 -0.229 0.000 0.648 250 V HN 0.330 nan 8.190 nan 0.000 0.447 251 H N -0.387 118.682 119.070 -0.002 0.000 2.421 251 H HA -0.149 4.406 4.556 -0.001 0.000 0.298 251 H C 2.453 177.784 175.328 0.004 0.000 1.087 251 H CA 1.430 57.478 56.048 -0.000 0.000 1.330 251 H CB 0.149 29.910 29.762 -0.002 0.000 1.388 251 H HN 0.501 nan 8.280 nan 0.000 0.526 252 E N 0.270 120.536 120.200 0.110 0.000 2.077 252 E HA -0.137 4.213 4.350 -0.001 0.000 0.193 252 E C 2.272 178.904 176.600 0.053 0.000 0.989 252 E CA 1.096 57.537 56.400 0.070 0.000 0.800 252 E CB 0.148 29.877 29.700 0.048 0.000 0.746 252 E HN 0.220 nan 8.360 nan 0.000 0.452 253 V N 0.899 120.838 119.914 0.041 0.000 2.427 253 V HA -0.230 3.890 4.120 -0.001 0.000 0.248 253 V C 2.331 178.445 176.094 0.034 0.000 1.051 253 V CA 1.714 64.032 62.300 0.030 0.000 1.048 253 V CB -0.401 31.434 31.823 0.019 0.000 0.666 253 V HN 0.123 nan 8.190 nan 0.000 0.456 254 R N 0.873 121.406 120.500 0.055 0.000 2.073 254 R HA -0.153 4.187 4.340 -0.001 0.000 0.234 254 R C 2.288 178.616 176.300 0.045 0.000 1.134 254 R CA 1.893 58.029 56.100 0.060 0.000 0.952 254 R CB -0.502 29.862 30.300 0.106 0.000 0.850 254 R HN 0.462 nan 8.270 nan 0.000 0.433 255 K N -0.365 120.066 120.400 0.051 0.000 2.026 255 K HA -0.134 4.185 4.320 -0.001 0.000 0.208 255 K C 1.810 178.426 176.600 0.027 0.000 1.048 255 K CA 1.719 58.027 56.287 0.035 0.000 0.929 255 K CB -0.164 32.358 32.500 0.037 0.000 0.713 255 K HN 0.081 nan 8.250 nan 0.000 0.439 256 I N 1.189 121.776 120.570 0.028 0.000 2.208 256 I HA -0.265 3.905 4.170 -0.001 0.000 0.245 256 I C 1.990 178.117 176.117 0.016 0.000 1.097 256 I CA 0.971 62.285 61.300 0.024 0.000 1.363 256 I CB -0.455 37.560 38.000 0.025 0.000 1.051 256 I HN 0.169 nan 8.210 nan 0.000 0.413 257 L N 0.142 121.372 121.223 0.011 0.000 2.131 257 L HA 0.022 4.361 4.340 -0.001 0.000 0.210 257 L C 1.692 178.565 176.870 0.006 0.000 1.092 257 L CA 1.434 56.276 54.840 0.002 0.000 0.759 257 L CB -1.813 40.246 42.059 -0.001 0.000 0.903 257 L HN 0.476 nan 8.230 nan 0.000 0.435 258 G N -0.569 108.239 108.800 0.012 0.000 2.591 258 G HA2 -0.461 3.499 3.960 -0.001 0.000 0.278 258 G HA3 -0.461 3.499 3.960 -0.001 0.000 0.278 258 G C 0.886 175.792 174.900 0.009 0.000 1.293 258 G CA 0.707 45.814 45.100 0.012 0.000 0.930 258 G HN 0.312 nan 8.290 nan 0.000 0.562 259 E N -0.031 120.174 120.200 0.007 0.000 2.077 259 E HA -0.081 4.268 4.350 -0.001 0.000 0.193 259 E C 2.386 178.989 176.600 0.005 0.000 0.989 259 E CA 2.184 58.587 56.400 0.006 0.000 0.800 259 E CB -0.230 29.474 29.700 0.005 0.000 0.746 259 E HN 0.572 nan 8.360 nan 0.000 0.452 260 K N -1.172 119.229 120.400 0.002 0.000 2.288 260 K HA -0.011 4.309 4.320 -0.001 0.000 0.201 260 K C 1.261 177.857 176.600 -0.006 0.000 1.048 260 K CA 1.161 57.447 56.287 -0.002 0.000 0.956 260 K CB -0.103 32.394 32.500 -0.005 0.000 0.746 260 K HN 0.211 nan 8.250 nan 0.000 0.461 261 G N 1.105 109.902 108.800 -0.005 0.000 3.575 261 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.273 261 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.273 261 G C 0.756 175.658 174.900 0.003 0.000 1.053 261 G CA -0.380 44.715 45.100 -0.008 0.000 0.803 261 G HN 0.316 nan 8.290 nan 0.000 0.528 262 K N 0.314 120.719 120.400 0.009 0.000 2.173 262 K HA -0.169 4.150 4.320 -0.001 0.000 0.207 262 K C 1.379 177.994 176.600 0.025 0.000 1.046 262 K CA 1.607 57.904 56.287 0.017 0.000 0.929 262 K CB -0.354 32.156 32.500 0.017 0.000 0.720 262 K HN 0.318 nan 8.250 nan 0.000 0.453 263 N N 0.435 119.149 118.700 0.024 0.000 2.412 263 N HA 0.139 4.879 4.740 -0.001 0.000 0.184 263 N C -0.164 175.367 175.510 0.036 0.000 1.101 263 N CA -0.257 52.814 53.050 0.035 0.000 0.881 263 N CB 0.139 38.647 38.487 0.036 0.000 0.969 263 N HN 0.145 nan 8.380 nan 0.000 0.459 264 I N 2.297 122.879 120.570 0.019 0.000 2.452 264 I HA 0.009 4.179 4.170 -0.001 0.000 0.287 264 I C 0.173 176.305 176.117 0.024 0.000 1.079 264 I CA -0.192 61.114 61.300 0.010 0.000 1.387 264 I CB 0.496 38.486 38.000 -0.016 0.000 1.404 264 I HN -0.116 nan 8.210 nan 0.000 0.522 265 K N 7.613 128.035 120.400 0.037 0.000 2.368 265 K HA 0.400 4.720 4.320 -0.001 0.000 0.282 265 K C -0.332 176.296 176.600 0.046 0.000 1.035 265 K CA -0.146 56.171 56.287 0.050 0.000 0.973 265 K CB 1.049 33.588 32.500 0.066 0.000 0.957 265 K HN 0.512 nan 8.250 nan 0.000 0.474 266 I N 4.450 125.046 120.570 0.044 0.000 2.321 266 I HA 0.176 4.346 4.170 -0.001 0.000 0.291 266 I C 0.009 176.160 176.117 0.057 0.000 0.998 266 I CA -0.726 60.604 61.300 0.049 0.000 1.227 266 I CB 0.890 38.907 38.000 0.029 0.000 1.368 266 I HN 0.183 nan 8.210 nan 0.000 0.466 267 I N 5.409 126.047 120.570 0.114 0.000 2.330 267 I HA 0.214 4.384 4.170 -0.001 0.000 0.286 267 I C 0.410 176.544 176.117 0.028 0.000 1.025 267 I CA -0.166 61.176 61.300 0.070 0.000 1.197 267 I CB 0.925 38.998 38.000 0.122 0.000 1.358 267 I HN 0.460 nan 8.210 nan 0.000 0.467 268 S N 6.218 121.907 115.700 -0.018 0.000 2.549 268 S HA 0.255 4.724 4.470 -0.001 0.000 0.279 268 S C 0.323 174.890 174.600 -0.056 0.000 1.321 268 S CA -0.403 57.779 58.200 -0.029 0.000 1.054 268 S CB 0.715 63.889 63.200 -0.043 0.000 0.899 268 S HN 0.371 nan 8.310 nan 0.000 0.497 269 K N 2.713 123.071 120.400 -0.071 0.000 2.211 269 K HA 0.374 4.694 4.320 -0.001 0.000 0.275 269 K C -0.721 175.814 176.600 -0.108 0.000 1.024 269 K CA -0.462 55.748 56.287 -0.129 0.000 0.887 269 K CB 0.691 33.082 32.500 -0.181 0.000 1.084 269 K HN 0.398 nan 8.250 nan 0.000 0.463 270 I N 4.342 124.856 120.570 -0.094 0.000 2.307 270 I HA 0.083 4.252 4.170 -0.001 0.000 0.289 270 I C 0.592 176.635 176.117 -0.122 0.000 1.021 270 I CA 0.072 61.335 61.300 -0.061 0.000 1.224 270 I CB 0.791 38.785 38.000 -0.010 0.000 1.376 270 I HN 0.803 nan 8.210 nan 0.000 0.470 271 E N 4.603 124.728 120.200 -0.124 0.000 3.085 271 E HA 0.202 4.552 4.350 -0.001 0.000 0.179 271 E C -0.810 175.782 176.600 -0.014 0.000 0.951 271 E CA -0.585 55.731 56.400 -0.141 0.000 1.326 271 E CB 0.212 29.712 29.700 -0.334 0.000 1.043 271 E HN 0.669 nan 8.360 nan 0.000 0.457 272 N N -0.935 117.783 118.700 0.030 0.000 2.710 272 N HA 0.074 4.814 4.740 -0.001 0.000 0.257 272 N C 0.262 175.816 175.510 0.074 0.000 1.327 272 N CA -0.767 52.336 53.050 0.089 0.000 0.861 272 N CB 0.714 39.300 38.487 0.165 0.000 1.532 272 N HN -0.086 nan 8.380 nan 0.000 0.499 273 H N 0.317 119.391 119.070 0.006 0.000 2.265 273 H HA -0.206 4.349 4.556 -0.001 0.000 0.293 273 H C 1.185 176.517 175.328 0.007 0.000 1.089 273 H CA 2.838 58.883 56.048 -0.005 0.000 1.244 273 H CB 0.092 29.849 29.762 -0.007 0.000 1.355 273 H HN 0.857 nan 8.280 nan 0.000 0.485 274 E N -0.237 120.097 120.200 0.224 0.000 2.086 274 E HA -0.159 4.191 4.350 -0.001 0.000 0.205 274 E C 2.532 179.189 176.600 0.094 0.000 1.027 274 E CA 2.056 58.545 56.400 0.149 0.000 0.830 274 E CB -0.994 28.763 29.700 0.095 0.000 0.751 274 E HN 0.576 nan 8.360 nan 0.000 0.456 275 G N -0.292 108.552 108.800 0.074 0.000 2.442 275 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.219 275 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.219 275 G C 1.727 176.676 174.900 0.081 0.000 1.141 275 G CA 1.040 46.179 45.100 0.065 0.000 0.763 275 G HN 0.276 nan 8.290 nan 0.000 0.554 276 V N 0.292 120.211 119.914 0.008 0.000 2.358 276 V HA -0.105 4.014 4.120 -0.001 0.000 0.246 276 V C 2.767 178.862 176.094 0.002 0.000 1.047 276 V CA 2.016 64.287 62.300 -0.048 0.000 1.035 276 V CB -0.421 31.275 31.823 -0.210 0.000 0.658 276 V HN 0.364 nan 8.190 nan 0.000 0.452 277 R N 0.201 120.698 120.500 -0.005 0.000 2.081 277 R HA -0.077 4.263 4.340 -0.001 0.000 0.235 277 R C 1.853 178.194 176.300 0.069 0.000 1.131 277 R CA 1.176 57.301 56.100 0.041 0.000 0.960 277 R CB 0.013 30.382 30.300 0.116 0.000 0.856 277 R HN 0.371 nan 8.270 nan 0.000 0.436 278 R N -0.174 120.369 120.500 0.072 0.000 2.515 278 R HA 0.013 4.352 4.340 -0.001 0.000 0.294 278 R C 1.117 177.436 176.300 0.031 0.000 1.021 278 R CA -0.165 55.960 56.100 0.042 0.000 1.081 278 R CB -0.072 30.240 30.300 0.020 0.000 1.263 278 R HN 0.211 nan 8.270 nan 0.000 0.557 279 F N 2.795 122.719 119.950 -0.044 0.000 2.091 279 F HA -0.278 4.248 4.527 -0.001 0.000 0.299 279 F C 1.509 177.282 175.800 -0.045 0.000 1.103 279 F CA 1.854 59.822 58.000 -0.053 0.000 1.228 279 F CB 0.085 39.045 39.000 -0.067 0.000 0.984 279 F HN -0.003 nan 8.300 nan 0.000 0.477 280 D N 0.299 120.602 120.400 -0.161 0.000 2.106 280 D HA -0.258 4.381 4.640 -0.001 0.000 0.191 280 D C 2.214 178.354 176.300 -0.267 0.000 0.997 280 D CA 1.962 55.824 54.000 -0.230 0.000 0.834 280 D CB -0.661 40.114 40.800 -0.043 0.000 0.956 280 D HN 0.709 nan 8.370 nan 0.000 0.448 281 E N 0.459 120.556 120.200 -0.172 0.000 2.150 281 E HA -0.131 4.219 4.350 -0.001 0.000 0.193 281 E C 2.266 178.746 176.600 -0.201 0.000 0.985 281 E CA 0.690 57.006 56.400 -0.141 0.000 0.814 281 E CB -0.427 29.226 29.700 -0.079 0.000 0.752 281 E HN 0.292 nan 8.360 nan 0.000 0.466 282 I N 0.651 121.059 120.570 -0.269 0.000 2.252 282 I HA -0.201 3.969 4.170 -0.001 0.000 0.245 282 I C 2.476 178.389 176.117 -0.340 0.000 1.102 282 I CA 0.521 61.653 61.300 -0.279 0.000 1.385 282 I CB -0.178 37.677 38.000 -0.242 0.000 1.064 282 I HN 0.177 nan 8.210 nan 0.000 0.414 283 L N 0.744 121.633 121.223 -0.557 0.000 2.046 283 L HA -0.201 4.139 4.340 -0.001 0.000 0.208 283 L C 2.421 179.147 176.870 -0.240 0.000 1.077 283 L CA 1.921 56.473 54.840 -0.480 0.000 0.747 283 L CB -0.792 40.853 42.059 -0.691 0.000 0.896 283 L HN 0.175 nan 8.230 nan 0.000 0.432 284 E N -0.137 119.942 120.200 -0.202 0.000 2.110 284 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 284 E C 1.996 178.562 176.600 -0.058 0.000 0.988 284 E CA 1.285 57.626 56.400 -0.099 0.000 0.804 284 E CB -0.054 29.605 29.700 -0.068 0.000 0.745 284 E HN 0.608 nan 8.360 nan 0.000 0.458 285 A N 0.320 123.089 122.820 -0.085 0.000 2.119 285 A HA 0.040 4.360 4.320 -0.001 0.000 0.216 285 A C 1.313 178.867 177.584 -0.050 0.000 1.152 285 A CA 0.325 52.334 52.037 -0.048 0.000 0.708 285 A CB 0.127 18.988 19.000 -0.231 0.000 0.805 285 A HN 0.120 nan 8.150 nan 0.000 0.460 286 S N -0.353 115.299 115.700 -0.080 0.000 2.745 286 S HA 0.355 4.824 4.470 -0.001 0.000 0.292 286 S C -0.059 174.526 174.600 -0.026 0.000 1.133 286 S CA -0.559 57.609 58.200 -0.053 0.000 0.998 286 S CB 0.985 64.139 63.200 -0.077 0.000 1.087 286 S HN 0.354 nan 8.310 nan 0.000 0.551 287 D N 0.117 120.512 120.400 -0.008 0.000 2.366 287 D HA 0.283 4.923 4.640 -0.001 0.000 0.205 287 D C 0.749 177.030 176.300 -0.031 0.000 1.022 287 D CA 0.512 54.515 54.000 0.005 0.000 0.868 287 D CB 0.571 41.389 40.800 0.029 0.000 0.953 287 D HN 0.632 nan 8.370 nan 0.000 0.514 288 G N -0.030 108.744 108.800 -0.043 0.000 2.495 288 G HA2 0.487 4.447 3.960 -0.001 0.000 0.294 288 G HA3 0.487 4.447 3.960 -0.001 0.000 0.294 288 G C -1.781 173.086 174.900 -0.054 0.000 1.397 288 G CA -0.520 44.537 45.100 -0.071 0.000 0.790 288 G HN -0.090 nan 8.290 nan 0.000 0.486 289 I N 0.417 120.954 120.570 -0.056 0.000 2.769 289 I HA 0.556 4.726 4.170 -0.001 0.000 0.298 289 I C -0.548 175.501 176.117 -0.113 0.000 1.128 289 I CA -0.721 60.561 61.300 -0.029 0.000 1.031 289 I CB 2.138 40.214 38.000 0.127 0.000 1.235 289 I HN 0.648 nan 8.210 nan 0.000 0.423 290 M N 5.316 124.826 119.600 -0.150 0.000 2.253 290 M HA 0.458 4.937 4.480 -0.001 0.000 0.314 290 M C -1.555 174.642 176.300 -0.172 0.000 1.019 290 M CA -0.684 54.477 55.300 -0.232 0.000 0.932 290 M CB 1.792 34.161 32.600 -0.386 0.000 1.606 290 M HN 0.262 nan 8.290 nan 0.000 0.430 291 V N 5.185 125.002 119.914 -0.161 0.000 2.313 291 V HA 0.273 4.392 4.120 -0.001 0.000 0.252 291 V C 0.676 176.682 176.094 -0.146 0.000 1.112 291 V CA -0.335 61.876 62.300 -0.148 0.000 0.984 291 V CB 0.119 31.859 31.823 -0.139 0.000 1.157 291 V HN 0.883 nan 8.190 nan 0.000 0.493 292 A N 5.378 128.102 122.820 -0.160 0.000 3.037 292 A HA 0.271 4.590 4.320 -0.001 0.000 0.272 292 A C 1.543 179.050 177.584 -0.128 0.000 1.723 292 A CA -0.359 51.582 52.037 -0.160 0.000 1.413 292 A CB -0.481 18.388 19.000 -0.219 0.000 1.112 292 A HN 0.866 nan 8.150 nan 0.000 0.606 293 R N 0.977 121.418 120.500 -0.098 0.000 2.211 293 R HA -0.150 4.189 4.340 -0.001 0.000 0.240 293 R C 2.172 178.437 176.300 -0.058 0.000 1.144 293 R CA 1.379 57.435 56.100 -0.074 0.000 0.992 293 R CB -0.263 30.005 30.300 -0.053 0.000 0.869 293 R HN 0.654 nan 8.270 nan 0.000 0.462 294 G N 1.412 110.178 108.800 -0.055 0.000 2.604 294 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.216 294 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.216 294 G C 0.963 175.847 174.900 -0.027 0.000 1.265 294 G CA 1.168 46.250 45.100 -0.030 0.000 0.804 294 G HN 0.221 nan 8.290 nan 0.000 0.579 295 D N 0.039 120.415 120.400 -0.041 0.000 2.183 295 D HA -0.056 4.583 4.640 -0.001 0.000 0.203 295 D C 2.450 178.740 176.300 -0.017 0.000 0.969 295 D CA 0.437 54.440 54.000 0.006 0.000 0.842 295 D CB -0.049 40.774 40.800 0.038 0.000 0.957 295 D HN 0.172 nan 8.370 nan 0.000 0.484 296 L N 1.201 122.388 121.223 -0.060 0.000 2.083 296 L HA -0.026 4.313 4.340 -0.001 0.000 0.209 296 L C 2.146 178.978 176.870 -0.064 0.000 1.083 296 L CA 1.751 56.553 54.840 -0.064 0.000 0.752 296 L CB -0.869 41.134 42.059 -0.093 0.000 0.899 296 L HN -0.011 nan 8.230 nan 0.000 0.433 297 G N -1.318 107.446 108.800 -0.060 0.000 2.776 297 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.209 297 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.209 297 G C 1.415 176.259 174.900 -0.093 0.000 1.145 297 G CA 0.771 45.834 45.100 -0.060 0.000 0.791 297 G HN 0.493 nan 8.290 nan 0.000 0.530 298 I N -0.917 119.590 120.570 -0.105 0.000 3.300 298 I HA 0.111 4.280 4.170 -0.001 0.000 0.279 298 I C 2.210 178.199 176.117 -0.214 0.000 1.172 298 I CA 0.035 61.212 61.300 -0.205 0.000 1.431 298 I CB 0.085 38.007 38.000 -0.130 0.000 1.240 298 I HN -0.059 nan 8.210 nan 0.000 0.453 299 E N 1.874 122.024 120.200 -0.082 0.000 2.118 299 E HA -0.068 4.282 4.350 -0.001 0.000 0.195 299 E C 0.696 177.283 176.600 -0.022 0.000 0.992 299 E CA 1.082 57.467 56.400 -0.025 0.000 0.804 299 E CB -0.005 29.721 29.700 0.044 0.000 0.741 299 E HN 0.563 nan 8.360 nan 0.000 0.458 300 I N -3.406 117.140 120.570 -0.041 0.000 2.934 300 I HA 0.462 4.632 4.170 -0.001 0.000 0.306 300 I C -2.750 173.333 176.117 -0.056 0.000 1.110 300 I CA -3.064 58.227 61.300 -0.016 0.000 1.019 300 I CB 2.283 40.276 38.000 -0.012 0.000 1.227 300 I HN -0.366 nan 8.210 nan 0.000 0.434 301 P HA -0.038 nan 4.420 nan 0.000 0.263 301 P C 0.403 177.684 177.300 -0.032 0.000 1.168 301 P CA 0.470 63.551 63.100 -0.031 0.000 0.759 301 P CB 0.790 32.488 31.700 -0.003 0.000 0.782 302 A N 4.248 127.054 122.820 -0.024 0.000 1.908 302 A HA -0.236 4.084 4.320 -0.001 0.000 0.218 302 A C 1.683 179.289 177.584 0.037 0.000 1.181 302 A CA 1.791 53.825 52.037 -0.004 0.000 0.627 302 A CB -1.072 17.929 19.000 0.002 0.000 0.818 302 A HN 0.613 nan 8.150 nan 0.000 0.445 303 E N 0.469 120.703 120.200 0.056 0.000 2.331 303 E HA -0.148 4.201 4.350 -0.001 0.000 0.199 303 E C 1.528 178.231 176.600 0.171 0.000 1.008 303 E CA 1.442 57.917 56.400 0.126 0.000 0.843 303 E CB -0.231 29.532 29.700 0.104 0.000 0.761 303 E HN 0.690 nan 8.360 nan 0.000 0.507 304 K N 0.093 120.505 120.400 0.019 0.000 2.361 304 K HA 0.121 4.441 4.320 -0.001 0.000 0.194 304 K C 1.666 178.126 176.600 -0.234 0.000 1.032 304 K CA 0.122 56.321 56.287 -0.146 0.000 1.048 304 K CB 0.404 32.821 32.500 -0.138 0.000 0.842 304 K HN -0.045 nan 8.250 nan 0.000 0.526 305 V N 2.085 121.947 119.914 -0.087 0.000 2.324 305 V HA -0.312 3.807 4.120 -0.001 0.000 0.250 305 V C 2.109 178.135 176.094 -0.113 0.000 1.060 305 V CA 2.169 64.414 62.300 -0.092 0.000 1.042 305 V CB -0.729 31.080 31.823 -0.023 0.000 0.650 305 V HN 0.384 nan 8.190 nan 0.000 0.450 306 F N 0.043 119.950 119.950 -0.070 0.000 2.202 306 F HA -0.135 4.391 4.527 -0.001 0.000 0.301 306 F C 1.910 177.661 175.800 -0.081 0.000 1.082 306 F CA 1.482 59.440 58.000 -0.069 0.000 1.313 306 F CB -0.950 38.018 39.000 -0.054 0.000 1.024 306 F HN 0.092 nan 8.300 nan 0.000 0.495 307 L N 0.985 121.536 121.223 -1.119 0.000 1.988 307 L HA -0.121 4.219 4.340 -0.001 0.000 0.207 307 L C 3.079 179.702 176.870 -0.413 0.000 1.071 307 L CA 1.311 55.655 54.840 -0.827 0.000 0.744 307 L CB -1.377 40.218 42.059 -0.773 0.000 0.893 307 L HN 0.318 nan 8.230 nan 0.000 0.433 308 A N -0.504 122.102 122.820 -0.357 0.000 1.908 308 A HA -0.311 4.008 4.320 -0.001 0.000 0.218 308 A C 2.258 179.678 177.584 -0.273 0.000 1.181 308 A CA 2.113 53.972 52.037 -0.297 0.000 0.627 308 A CB -0.686 18.157 19.000 -0.262 0.000 0.818 308 A HN 0.536 nan 8.150 nan 0.000 0.445 309 Q N -0.236 119.440 119.800 -0.206 0.000 1.975 309 Q HA -0.247 4.092 4.340 -0.001 0.000 0.205 309 Q C 2.053 177.961 176.000 -0.152 0.000 0.990 309 Q CA 2.169 57.879 55.803 -0.155 0.000 0.845 309 Q CB -0.200 28.493 28.738 -0.074 0.000 0.913 309 Q HN 0.665 nan 8.270 nan 0.000 0.420 310 K N -0.013 120.322 120.400 -0.109 0.000 2.074 310 K HA -0.189 4.130 4.320 -0.001 0.000 0.209 310 K C 2.191 178.714 176.600 -0.128 0.000 1.048 310 K CA 1.644 57.882 56.287 -0.081 0.000 0.926 310 K CB -0.275 32.212 32.500 -0.022 0.000 0.713 310 K HN 0.378 nan 8.250 nan 0.000 0.444 311 M N 1.126 120.614 119.600 -0.187 0.000 2.086 311 M HA -0.160 4.320 4.480 -0.001 0.000 0.261 311 M C 1.971 178.093 176.300 -0.297 0.000 1.067 311 M CA 1.735 56.907 55.300 -0.213 0.000 1.116 311 M CB -0.248 32.206 32.600 -0.242 0.000 1.348 311 M HN 0.136 nan 8.290 nan 0.000 0.407 312 I N 0.408 120.722 120.570 -0.427 0.000 2.142 312 I HA -0.350 3.820 4.170 -0.001 0.000 0.240 312 I C 2.424 178.374 176.117 -0.278 0.000 1.078 312 I CA 1.337 62.267 61.300 -0.616 0.000 1.343 312 I CB -0.483 37.134 38.000 -0.638 0.000 1.046 312 I HN 0.291 nan 8.210 nan 0.000 0.405 313 I N 0.772 121.234 120.570 -0.179 0.000 2.208 313 I HA -0.241 3.929 4.170 -0.001 0.000 0.245 313 I C 2.666 178.749 176.117 -0.057 0.000 1.097 313 I CA 1.648 62.893 61.300 -0.091 0.000 1.363 313 I CB -0.959 36.999 38.000 -0.070 0.000 1.051 313 I HN 0.301 nan 8.210 nan 0.000 0.413 314 G N 0.779 109.537 108.800 -0.069 0.000 2.433 314 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.216 314 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.216 314 G C 1.806 176.697 174.900 -0.015 0.000 1.186 314 G CA 0.393 45.470 45.100 -0.039 0.000 0.779 314 G HN 0.287 nan 8.290 nan 0.000 0.543 315 R N -0.586 119.909 120.500 -0.007 0.000 2.096 315 R HA -0.046 4.293 4.340 -0.001 0.000 0.235 315 R C 2.668 179.032 176.300 0.106 0.000 1.127 315 R CA 1.176 57.323 56.100 0.079 0.000 0.968 315 R CB -0.715 29.704 30.300 0.200 0.000 0.861 315 R HN 0.381 nan 8.270 nan 0.000 0.440 316 C N 0.718 120.084 119.300 0.109 0.000 2.429 316 C HA -0.059 4.400 4.460 -0.001 0.000 0.277 316 C C 2.240 177.242 174.990 0.020 0.000 1.262 316 C CA 0.715 59.785 59.018 0.085 0.000 1.733 316 C CB -1.219 26.562 27.740 0.069 0.000 2.010 316 C HN 0.568 nan 8.230 nan 0.000 0.483 317 N N 0.109 118.810 118.700 0.002 0.000 2.069 317 N HA -0.185 4.554 4.740 -0.001 0.000 0.191 317 N C 2.095 177.580 175.510 -0.041 0.000 1.031 317 N CA 0.878 53.916 53.050 -0.020 0.000 0.852 317 N CB -0.297 38.182 38.487 -0.012 0.000 1.018 317 N HN 0.508 nan 8.380 nan 0.000 0.423 318 R N 1.250 121.737 120.500 -0.020 0.000 2.096 318 R HA -0.056 4.284 4.340 -0.001 0.000 0.235 318 R C 1.855 178.139 176.300 -0.027 0.000 1.127 318 R CA 1.359 57.444 56.100 -0.025 0.000 0.968 318 R CB -0.108 30.190 30.300 -0.002 0.000 0.861 318 R HN 0.170 nan 8.270 nan 0.000 0.440 319 A N -0.506 122.311 122.820 -0.006 0.000 2.072 319 A HA 0.173 4.492 4.320 -0.001 0.000 0.216 319 A C 1.479 179.054 177.584 -0.014 0.000 1.156 319 A CA 1.005 53.041 52.037 -0.003 0.000 0.701 319 A CB -0.090 18.916 19.000 0.010 0.000 0.816 319 A HN 0.567 nan 8.150 nan 0.000 0.458 320 G N -0.862 107.921 108.800 -0.028 0.000 2.141 320 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.242 320 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.242 320 G C 0.039 174.971 174.900 0.053 0.000 0.982 320 G CA 0.446 45.535 45.100 -0.019 0.000 0.662 320 G HN 0.581 nan 8.290 nan 0.000 0.527 321 K N 0.663 121.075 120.400 0.019 0.000 2.164 321 K HA 0.511 4.830 4.320 -0.001 0.000 0.258 321 K C -2.656 173.886 176.600 -0.097 0.000 0.951 321 K CA -2.164 54.117 56.287 -0.010 0.000 0.844 321 K CB 1.806 34.296 32.500 -0.017 0.000 1.099 321 K HN -0.042 nan 8.250 nan 0.000 0.435 322 P HA -0.030 nan 4.420 nan 0.000 0.265 322 P C -1.012 176.181 177.300 -0.178 0.000 1.193 322 P CA -0.248 62.649 63.100 -0.338 0.000 0.765 322 P CB 0.630 31.962 31.700 -0.612 0.000 0.823 323 V N 5.274 125.107 119.914 -0.135 0.000 2.709 323 V HA 0.521 4.641 4.120 -0.001 0.000 0.308 323 V C -0.849 175.176 176.094 -0.115 0.000 1.062 323 V CA -0.839 61.401 62.300 -0.100 0.000 0.901 323 V CB 1.382 33.169 31.823 -0.059 0.000 1.003 323 V HN 0.305 nan 8.190 nan 0.000 0.425 324 I N 6.044 126.528 120.570 -0.143 0.000 2.441 324 I HA 0.497 4.666 4.170 -0.001 0.000 0.295 324 I C -0.271 175.763 176.117 -0.138 0.000 0.994 324 I CA -0.469 60.740 61.300 -0.152 0.000 1.144 324 I CB 1.749 39.606 38.000 -0.238 0.000 1.314 324 I HN 0.659 nan 8.210 nan 0.000 0.445 325 C N 5.950 125.189 119.300 -0.102 0.000 2.355 325 C HA 0.935 5.394 4.460 -0.001 0.000 0.332 325 C C 0.227 175.168 174.990 -0.082 0.000 1.255 325 C CA 0.059 59.026 59.018 -0.086 0.000 1.792 325 C CB -0.077 27.629 27.740 -0.056 0.000 2.300 325 C HN 0.938 nan 8.230 nan 0.000 0.515 326 A N 3.683 126.453 122.820 -0.083 0.000 2.583 326 A HA 0.916 5.235 4.320 -0.001 0.000 0.289 326 A C -0.148 177.408 177.584 -0.046 0.000 1.151 326 A CA -0.021 51.977 52.037 -0.065 0.000 0.695 326 A CB 0.676 19.620 19.000 -0.094 0.000 1.290 326 A HN 1.628 nan 8.150 nan 0.000 0.419 327 T N 1.294 115.834 114.554 -0.024 0.000 0.732 327 T HA -0.083 4.266 4.350 -0.001 0.000 0.754 327 T C 0.109 174.809 174.700 -0.001 0.000 0.989 327 T CA 1.107 63.201 62.100 -0.009 0.000 3.981 327 T CB -1.401 67.455 68.868 -0.021 0.000 2.250 327 T HN 1.576 nan 8.240 nan 0.000 0.392 328 Q N -0.237 119.570 119.800 0.012 0.000 2.460 328 Q HA -0.270 4.070 4.340 -0.001 0.000 0.248 328 Q C 1.551 177.558 176.000 0.012 0.000 0.847 328 Q CA 1.569 57.381 55.803 0.015 0.000 1.214 328 Q CB -1.356 27.390 28.738 0.013 0.000 1.523 328 Q HN 0.856 nan 8.270 nan 0.000 0.602 329 M N -0.580 119.026 119.600 0.010 0.000 2.080 329 M HA -0.161 4.319 4.480 -0.001 0.000 0.260 329 M C 0.915 177.222 176.300 0.012 0.000 1.068 329 M CA 1.490 56.795 55.300 0.008 0.000 1.109 329 M CB -0.008 32.596 32.600 0.006 0.000 1.342 329 M HN 0.126 nan 8.290 nan 0.000 0.405 330 L N -0.330 120.905 121.223 0.019 0.000 3.218 330 L HA 0.176 4.516 4.340 -0.001 0.000 0.279 330 L C 1.261 178.148 176.870 0.029 0.000 1.287 330 L CA 0.260 55.113 54.840 0.022 0.000 1.024 330 L CB -0.232 41.844 42.059 0.028 0.000 1.409 330 L HN 0.072 nan 8.230 nan 0.000 0.580 331 E N 1.000 121.216 120.200 0.027 0.000 2.095 331 E HA -0.317 4.032 4.350 -0.001 0.000 0.212 331 E C 2.242 178.864 176.600 0.037 0.000 1.044 331 E CA 2.300 58.719 56.400 0.032 0.000 0.857 331 E CB 0.026 29.742 29.700 0.027 0.000 0.764 331 E HN 0.486 nan 8.360 nan 0.000 0.462 332 S N -0.455 115.262 115.700 0.028 0.000 2.440 332 S HA -0.219 4.251 4.470 -0.001 0.000 0.240 332 S C 1.896 176.521 174.600 0.041 0.000 1.014 332 S CA 1.561 59.778 58.200 0.028 0.000 0.980 332 S CB -0.481 62.727 63.200 0.013 0.000 0.775 332 S HN 0.368 nan 8.310 nan 0.000 0.499 333 M N 0.616 120.242 119.600 0.045 0.000 2.686 333 M HA 0.182 4.661 4.480 -0.001 0.000 0.246 333 M C 1.375 177.771 176.300 0.160 0.000 1.096 333 M CA 0.601 55.942 55.300 0.069 0.000 1.076 333 M CB -0.556 32.075 32.600 0.052 0.000 1.504 333 M HN 0.389 nan 8.290 nan 0.000 0.524 334 I N 0.069 120.712 120.570 0.121 0.000 2.546 334 I HA -0.226 3.944 4.170 -0.001 0.000 0.255 334 I C 1.869 178.080 176.117 0.158 0.000 1.163 334 I CA 1.020 62.393 61.300 0.120 0.000 1.457 334 I CB -0.214 37.829 38.000 0.072 0.000 1.092 334 I HN 0.227 nan 8.210 nan 0.000 0.434 335 K N 0.451 120.954 120.400 0.171 0.000 2.402 335 K HA 0.318 4.638 4.320 -0.001 0.000 0.203 335 K C 0.011 176.781 176.600 0.284 0.000 1.077 335 K CA 0.233 56.636 56.287 0.194 0.000 1.051 335 K CB 0.918 33.478 32.500 0.101 0.000 0.907 335 K HN 0.209 nan 8.250 nan 0.000 0.554 336 K N 1.097 121.603 120.400 0.177 0.000 2.426 336 K HA 0.255 4.575 4.320 -0.001 0.000 0.251 336 K C -2.148 174.126 176.600 -0.542 0.000 0.941 336 K CA -1.896 54.337 56.287 -0.091 0.000 0.808 336 K CB 2.542 35.003 32.500 -0.064 0.000 1.265 336 K HN -0.312 nan 8.250 nan 0.000 0.432 337 P HA -0.103 nan 4.420 nan 0.000 0.223 337 P C -0.425 176.650 177.300 -0.375 0.000 1.151 337 P CA 0.933 63.442 63.100 -0.985 0.000 0.787 337 P CB 0.543 31.776 31.700 -0.778 0.000 0.788 338 R N 0.434 120.789 120.500 -0.241 0.000 2.686 338 R HA 0.469 4.808 4.340 -0.001 0.000 0.286 338 R C -2.457 173.794 176.300 -0.083 0.000 0.969 338 R CA -2.256 53.769 56.100 -0.125 0.000 0.898 338 R CB 1.665 31.908 30.300 -0.095 0.000 1.183 338 R HN 0.039 nan 8.270 nan 0.000 0.456 339 P HA 0.048 nan 4.420 nan 0.000 0.276 339 P C -0.240 177.046 177.300 -0.024 0.000 1.261 339 P CA -0.285 62.799 63.100 -0.027 0.000 0.800 339 P CB 0.625 32.317 31.700 -0.014 0.000 1.066 340 T N -1.415 113.130 114.554 -0.015 0.000 2.874 340 T HA 0.238 4.587 4.350 -0.001 0.000 0.281 340 T C 1.466 176.157 174.700 -0.014 0.000 0.994 340 T CA -0.740 61.352 62.100 -0.014 0.000 1.015 340 T CB 0.609 69.472 68.868 -0.009 0.000 1.028 340 T HN 0.182 nan 8.240 nan 0.000 0.523 341 R N 1.118 121.609 120.500 -0.015 0.000 2.120 341 R HA -0.018 4.322 4.340 -0.001 0.000 0.234 341 R C 2.566 178.856 176.300 -0.017 0.000 1.123 341 R CA 1.469 57.560 56.100 -0.017 0.000 0.975 341 R CB -1.694 28.596 30.300 -0.018 0.000 0.866 341 R HN 0.860 nan 8.270 nan 0.000 0.446 342 A N 1.400 124.211 122.820 -0.016 0.000 1.930 342 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 342 A C 1.971 179.547 177.584 -0.014 0.000 1.175 342 A CA 1.156 53.183 52.037 -0.017 0.000 0.627 342 A CB -0.217 18.773 19.000 -0.016 0.000 0.815 342 A HN 0.366 nan 8.150 nan 0.000 0.443 343 E N -0.552 119.642 120.200 -0.009 0.000 2.152 343 E HA -0.060 4.289 4.350 -0.001 0.000 0.192 343 E C 2.063 178.661 176.600 -0.005 0.000 0.983 343 E CA 0.634 57.031 56.400 -0.005 0.000 0.818 343 E CB -0.297 29.403 29.700 -0.001 0.000 0.758 343 E HN 0.593 nan 8.360 nan 0.000 0.467 344 G N 0.926 109.721 108.800 -0.008 0.000 2.408 344 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.217 344 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.217 344 G C 1.633 176.527 174.900 -0.009 0.000 1.150 344 G CA 0.853 45.949 45.100 -0.007 0.000 0.776 344 G HN 0.273 nan 8.290 nan 0.000 0.542 345 S N 0.466 116.158 115.700 -0.013 0.000 2.368 345 S HA -0.160 4.310 4.470 -0.001 0.000 0.224 345 S C 2.070 176.662 174.600 -0.013 0.000 1.029 345 S CA 1.924 60.114 58.200 -0.016 0.000 0.988 345 S CB -0.427 62.760 63.200 -0.023 0.000 0.838 345 S HN 0.391 nan 8.310 nan 0.000 0.462 346 D N 0.256 120.649 120.400 -0.012 0.000 2.123 346 D HA -0.091 4.548 4.640 -0.001 0.000 0.196 346 D C 1.845 178.143 176.300 -0.004 0.000 0.992 346 D CA 1.437 55.432 54.000 -0.008 0.000 0.833 346 D CB -0.246 40.550 40.800 -0.006 0.000 0.954 346 D HN 0.313 nan 8.370 nan 0.000 0.455 347 V N 0.633 120.546 119.914 -0.002 0.000 2.307 347 V HA -0.185 3.935 4.120 -0.001 0.000 0.245 347 V C 2.595 178.690 176.094 0.002 0.000 1.045 347 V CA 1.697 63.998 62.300 0.002 0.000 1.024 347 V CB -0.992 30.834 31.823 0.005 0.000 0.651 347 V HN 0.346 nan 8.190 nan 0.000 0.449 348 A N 0.545 123.365 122.820 0.000 0.000 1.873 348 A HA -0.281 4.039 4.320 -0.001 0.000 0.218 348 A C 2.059 179.647 177.584 0.007 0.000 1.193 348 A CA 2.284 54.322 52.037 0.002 0.000 0.629 348 A CB -0.774 18.224 19.000 -0.003 0.000 0.826 348 A HN 0.606 nan 8.150 nan 0.000 0.447 349 N N 0.057 118.759 118.700 0.004 0.000 2.309 349 N HA -0.063 4.676 4.740 -0.001 0.000 0.182 349 N C 1.836 177.354 175.510 0.012 0.000 1.018 349 N CA 1.227 54.283 53.050 0.010 0.000 0.876 349 N CB -0.373 38.115 38.487 0.002 0.000 0.972 349 N HN 0.518 nan 8.380 nan 0.000 0.434 350 A N 0.725 123.549 122.820 0.006 0.000 1.898 350 A HA -0.050 4.269 4.320 -0.001 0.000 0.216 350 A C 2.495 180.082 177.584 0.005 0.000 1.181 350 A CA 1.079 53.116 52.037 0.001 0.000 0.620 350 A CB -0.598 18.399 19.000 -0.005 0.000 0.819 350 A HN 0.084 nan 8.150 nan 0.000 0.442 351 V N 0.204 120.125 119.914 0.011 0.000 2.307 351 V HA -0.219 3.900 4.120 -0.001 0.000 0.245 351 V C 2.543 178.653 176.094 0.026 0.000 1.045 351 V CA 1.789 64.100 62.300 0.019 0.000 1.024 351 V CB -0.836 31.000 31.823 0.021 0.000 0.651 351 V HN 0.549 nan 8.190 nan 0.000 0.449 352 L N -0.122 121.119 121.223 0.029 0.000 2.083 352 L HA -0.196 4.143 4.340 -0.001 0.000 0.209 352 L C 2.337 179.235 176.870 0.046 0.000 1.083 352 L CA 1.467 56.333 54.840 0.043 0.000 0.752 352 L CB -0.769 41.322 42.059 0.054 0.000 0.899 352 L HN 0.344 nan 8.230 nan 0.000 0.433 353 D N 0.061 120.480 120.400 0.033 0.000 2.218 353 D HA -0.098 4.542 4.640 -0.001 0.000 0.204 353 D C 1.647 177.958 176.300 0.019 0.000 0.976 353 D CA 1.500 55.516 54.000 0.026 0.000 0.853 353 D CB 0.086 40.892 40.800 0.010 0.000 0.939 353 D HN 0.473 nan 8.370 nan 0.000 0.481 354 G N -0.435 108.376 108.800 0.019 0.000 2.148 354 G HA2 -0.085 3.875 3.960 -0.001 0.000 0.157 354 G HA3 -0.085 3.875 3.960 -0.001 0.000 0.157 354 G C 0.376 175.279 174.900 0.005 0.000 1.012 354 G CA 0.104 45.215 45.100 0.018 0.000 0.677 354 G HN 0.555 nan 8.290 nan 0.000 0.506 355 A N 0.263 123.080 122.820 -0.005 0.000 2.511 355 A HA 0.497 4.816 4.320 -0.001 0.000 0.242 355 A C 1.236 178.813 177.584 -0.011 0.000 1.069 355 A CA 0.922 52.947 52.037 -0.021 0.000 0.763 355 A CB 0.267 19.248 19.000 -0.030 0.000 1.001 355 A HN 0.278 nan 8.150 nan 0.000 0.498 356 D N 0.456 120.838 120.400 -0.030 0.000 2.149 356 D HA -0.012 4.627 4.640 -0.001 0.000 0.201 356 D C 0.104 176.399 176.300 -0.009 0.000 0.972 356 D CA 1.298 55.285 54.000 -0.022 0.000 0.835 356 D CB 0.142 40.893 40.800 -0.081 0.000 0.966 356 D HN 0.549 nan 8.370 nan 0.000 0.476 357 C N 0.600 119.882 119.300 -0.031 0.000 2.898 357 C HA 0.596 5.055 4.460 -0.001 0.000 0.304 357 C C -0.079 174.896 174.990 -0.025 0.000 1.237 357 C CA -1.070 57.939 59.018 -0.015 0.000 1.529 357 C CB 1.893 29.621 27.740 -0.020 0.000 2.021 357 C HN 0.161 nan 8.230 nan 0.000 0.474 358 I N 0.318 120.884 120.570 -0.006 0.000 2.693 358 I HA 0.789 4.959 4.170 -0.001 0.000 0.303 358 I C -0.711 175.404 176.117 -0.004 0.000 1.025 358 I CA -0.766 60.528 61.300 -0.010 0.000 1.086 358 I CB 1.680 39.683 38.000 0.005 0.000 1.268 358 I HN 0.697 nan 8.210 nan 0.000 0.440 359 M N 4.568 124.163 119.600 -0.008 0.000 2.644 359 M HA 0.629 5.109 4.480 -0.001 0.000 0.304 359 M C -2.079 174.235 176.300 0.022 0.000 1.215 359 M CA -0.796 54.509 55.300 0.009 0.000 0.871 359 M CB 2.710 35.303 32.600 -0.012 0.000 1.740 359 M HN 0.649 nan 8.290 nan 0.000 0.464 360 L N 2.393 123.641 121.223 0.041 0.000 2.385 360 L HA 0.591 4.930 4.340 -0.001 0.000 0.273 360 L C -0.878 176.028 176.870 0.059 0.000 0.990 360 L CA -0.510 54.358 54.840 0.046 0.000 0.821 360 L CB 2.271 44.359 42.059 0.048 0.000 1.279 360 L HN 0.846 nan 8.230 nan 0.000 0.412 361 S N 0.818 116.553 115.700 0.057 0.000 2.381 361 S HA 0.718 5.187 4.470 -0.001 0.000 0.193 361 S C 0.148 174.787 174.600 0.066 0.000 1.287 361 S CA 0.045 58.287 58.200 0.071 0.000 1.199 361 S CB 1.456 64.700 63.200 0.073 0.000 1.214 361 S HN 1.058 nan 8.310 nan 0.000 0.444 362 G N 3.207 112.046 108.800 0.066 0.000 2.909 362 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.198 362 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.198 362 G C 0.578 175.511 174.900 0.055 0.000 1.124 362 G CA 0.159 45.294 45.100 0.057 0.000 0.796 362 G HN 0.553 nan 8.290 nan 0.000 0.489 363 E N 0.609 120.844 120.200 0.058 0.000 2.265 363 E HA 0.124 4.473 4.350 -0.001 0.000 0.196 363 E C 2.213 178.852 176.600 0.065 0.000 0.996 363 E CA 1.777 58.216 56.400 0.066 0.000 0.832 363 E CB -0.059 29.678 29.700 0.062 0.000 0.756 363 E HN 0.497 nan 8.360 nan 0.000 0.491 364 T N -1.045 113.545 114.554 0.060 0.000 3.056 364 T HA 0.239 4.589 4.350 -0.001 0.000 0.243 364 T C 1.767 176.500 174.700 0.055 0.000 0.995 364 T CA 0.361 62.495 62.100 0.056 0.000 1.091 364 T CB 0.083 68.985 68.868 0.058 0.000 0.990 364 T HN 0.197 nan 8.240 nan 0.000 0.464 365 A N 2.429 125.286 122.820 0.063 0.000 1.858 365 A HA -0.069 4.251 4.320 -0.001 0.000 0.216 365 A C 1.661 179.276 177.584 0.051 0.000 1.190 365 A CA 1.995 54.074 52.037 0.070 0.000 0.617 365 A CB -0.203 18.846 19.000 0.083 0.000 0.827 365 A HN 0.527 nan 8.150 nan 0.000 0.443 366 K N -1.318 119.104 120.400 0.037 0.000 2.761 366 K HA 0.422 4.742 4.320 -0.001 0.000 0.196 366 K C 0.274 176.878 176.600 0.008 0.000 1.134 366 K CA 0.364 56.662 56.287 0.018 0.000 1.082 366 K CB -0.464 32.042 32.500 0.010 0.000 0.768 366 K HN 0.306 nan 8.250 nan 0.000 0.475 367 G N -0.133 108.676 108.800 0.015 0.000 2.522 367 G HA2 0.223 4.182 3.960 -0.001 0.000 0.304 367 G HA3 0.223 4.182 3.960 -0.001 0.000 0.304 367 G C -0.367 174.501 174.900 -0.052 0.000 1.210 367 G CA -0.599 44.507 45.100 0.011 0.000 0.960 367 G HN 0.127 nan 8.290 nan 0.000 0.497 368 D N -1.046 119.282 120.400 -0.120 0.000 2.349 368 D HA 0.034 4.673 4.640 -0.001 0.000 0.215 368 D C -0.230 175.643 176.300 -0.712 0.000 1.016 368 D CA 0.927 54.686 54.000 -0.402 0.000 0.870 368 D CB 0.333 40.813 40.800 -0.533 0.000 0.917 368 D HN 0.365 nan 8.370 nan 0.000 0.524 369 Y N -0.275 120.035 120.300 0.017 0.000 2.614 369 Y HA 0.191 4.740 4.550 -0.001 0.000 0.296 369 Y C -1.602 174.310 175.900 0.020 0.000 0.942 369 Y CA -1.676 56.434 58.100 0.018 0.000 1.111 369 Y CB 1.017 39.487 38.460 0.016 0.000 1.182 369 Y HN -0.100 nan 8.280 nan 0.000 0.624 370 P HA -0.218 nan 4.420 nan 0.000 0.215 370 P C 1.459 178.805 177.300 0.077 0.000 1.157 370 P CA 1.384 64.526 63.100 0.071 0.000 0.874 370 P CB 0.705 32.427 31.700 0.038 0.000 0.790 371 L N -0.019 121.250 121.223 0.076 0.000 2.005 371 L HA -0.134 4.205 4.340 -0.001 0.000 0.207 371 L C 2.648 179.565 176.870 0.078 0.000 1.072 371 L CA 1.911 56.791 54.840 0.066 0.000 0.744 371 L CB -1.857 40.237 42.059 0.060 0.000 0.895 371 L HN -0.115 nan 8.230 nan 0.000 0.433 372 E N -0.401 119.867 120.200 0.114 0.000 2.097 372 E HA -0.224 4.125 4.350 -0.001 0.000 0.196 372 E C 2.282 178.926 176.600 0.073 0.000 1.000 372 E CA 1.461 57.916 56.400 0.092 0.000 0.804 372 E CB -0.534 29.226 29.700 0.100 0.000 0.740 372 E HN 0.472 nan 8.360 nan 0.000 0.454 373 A N 0.506 123.379 122.820 0.088 0.000 1.908 373 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 373 A C 2.492 180.113 177.584 0.062 0.000 1.181 373 A CA 1.919 53.999 52.037 0.071 0.000 0.627 373 A CB -0.963 18.084 19.000 0.080 0.000 0.818 373 A HN 0.275 nan 8.150 nan 0.000 0.445 374 V N -1.221 118.728 119.914 0.059 0.000 2.453 374 V HA -0.159 3.960 4.120 -0.001 0.000 0.247 374 V C 2.152 178.291 176.094 0.076 0.000 1.048 374 V CA 1.978 64.311 62.300 0.055 0.000 1.049 374 V CB -0.844 30.998 31.823 0.031 0.000 0.672 374 V HN 0.536 nan 8.190 nan 0.000 0.457 375 R N -0.696 119.845 120.500 0.067 0.000 2.105 375 R HA -0.111 4.228 4.340 -0.001 0.000 0.239 375 R C 2.259 178.632 176.300 0.122 0.000 1.135 375 R CA 2.047 58.201 56.100 0.090 0.000 0.967 375 R CB -0.522 29.815 30.300 0.062 0.000 0.861 375 R HN 0.546 nan 8.270 nan 0.000 0.442 376 M N 0.939 120.587 119.600 0.081 0.000 2.156 376 M HA -0.119 4.360 4.480 -0.001 0.000 0.264 376 M C 1.879 178.215 176.300 0.061 0.000 1.067 376 M CA 1.715 57.050 55.300 0.059 0.000 1.131 376 M CB -0.076 32.544 32.600 0.034 0.000 1.368 376 M HN 0.016 nan 8.290 nan 0.000 0.416 377 Q N -1.451 118.392 119.800 0.071 0.000 2.084 377 Q HA -0.243 4.097 4.340 -0.001 0.000 0.202 377 Q C 2.136 178.183 176.000 0.078 0.000 0.978 377 Q CA 1.920 57.761 55.803 0.062 0.000 0.844 377 Q CB -0.516 28.259 28.738 0.061 0.000 0.898 377 Q HN 0.713 nan 8.270 nan 0.000 0.426 378 H N 0.384 119.469 119.070 0.025 0.000 2.352 378 H HA -0.157 4.399 4.556 -0.001 0.000 0.299 378 H C 1.729 177.077 175.328 0.033 0.000 1.097 378 H CA 1.440 57.508 56.048 0.033 0.000 1.311 378 H CB -0.008 29.775 29.762 0.034 0.000 1.377 378 H HN 0.076 nan 8.280 nan 0.000 0.504 379 L N 0.167 121.380 121.223 -0.016 0.000 2.005 379 L HA -0.097 4.243 4.340 -0.001 0.000 0.207 379 L C 2.560 179.388 176.870 -0.070 0.000 1.072 379 L CA 1.529 56.331 54.840 -0.064 0.000 0.744 379 L CB -0.790 41.281 42.059 0.020 0.000 0.895 379 L HN 0.412 nan 8.230 nan 0.000 0.433 380 I N -0.957 119.596 120.570 -0.029 0.000 2.226 380 I HA -0.327 3.842 4.170 -0.001 0.000 0.245 380 I C 2.596 178.694 176.117 -0.031 0.000 1.100 380 I CA 1.145 62.432 61.300 -0.022 0.000 1.374 380 I CB -0.651 37.346 38.000 -0.005 0.000 1.057 380 I HN 0.243 nan 8.210 nan 0.000 0.413 381 A N 1.219 124.016 122.820 -0.038 0.000 1.873 381 A HA -0.257 4.062 4.320 -0.001 0.000 0.218 381 A C 2.434 179.992 177.584 -0.044 0.000 1.193 381 A CA 1.900 53.919 52.037 -0.030 0.000 0.629 381 A CB -0.700 18.288 19.000 -0.020 0.000 0.826 381 A HN 0.343 nan 8.150 nan 0.000 0.447 382 R N -1.126 119.311 120.500 -0.105 0.000 2.081 382 R HA -0.145 4.195 4.340 -0.001 0.000 0.235 382 R C 2.268 178.547 176.300 -0.033 0.000 1.131 382 R CA 1.482 57.531 56.100 -0.085 0.000 0.960 382 R CB -0.298 29.912 30.300 -0.151 0.000 0.856 382 R HN 0.598 nan 8.270 nan 0.000 0.436 383 E N 0.832 121.010 120.200 -0.037 0.000 2.051 383 E HA -0.139 4.211 4.350 -0.001 0.000 0.192 383 E C 1.824 178.426 176.600 0.003 0.000 0.991 383 E CA 1.744 58.135 56.400 -0.015 0.000 0.799 383 E CB -0.156 29.532 29.700 -0.020 0.000 0.748 383 E HN 0.338 nan 8.360 nan 0.000 0.449 384 A N 0.316 123.139 122.820 0.004 0.000 1.968 384 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 384 A C 1.977 179.585 177.584 0.039 0.000 1.169 384 A CA 1.416 53.464 52.037 0.017 0.000 0.638 384 A CB -0.477 18.531 19.000 0.013 0.000 0.812 384 A HN 0.283 nan 8.150 nan 0.000 0.446 385 E N -0.136 120.091 120.200 0.045 0.000 2.118 385 E HA -0.151 4.199 4.350 -0.001 0.000 0.195 385 E C 2.147 178.834 176.600 0.145 0.000 0.992 385 E CA 1.073 57.523 56.400 0.084 0.000 0.804 385 E CB -0.229 29.517 29.700 0.075 0.000 0.741 385 E HN 0.642 nan 8.360 nan 0.000 0.458 386 A N 0.917 123.810 122.820 0.121 0.000 2.016 386 A HA 0.120 4.439 4.320 -0.001 0.000 0.217 386 A C 2.180 179.864 177.584 0.165 0.000 1.162 386 A CA 1.017 53.154 52.037 0.167 0.000 0.662 386 A CB -0.127 18.929 19.000 0.093 0.000 0.812 386 A HN 0.242 nan 8.150 nan 0.000 0.450 387 A N -0.759 122.119 122.820 0.095 0.000 2.252 387 A HA 0.392 4.711 4.320 -0.001 0.000 0.207 387 A C 0.992 178.685 177.584 0.181 0.000 1.194 387 A CA -0.048 52.036 52.037 0.078 0.000 0.809 387 A CB -0.598 18.407 19.000 0.010 0.000 0.814 387 A HN 0.554 nan 8.150 nan 0.000 0.482 388 M N -1.422 118.223 119.600 0.075 0.000 2.202 388 M HA 0.242 4.721 4.480 -0.001 0.000 0.316 388 M C -0.133 176.079 176.300 -0.147 0.000 1.138 388 M CA -0.011 55.235 55.300 -0.091 0.000 1.151 388 M CB 0.417 32.773 32.600 -0.406 0.000 1.422 388 M HN 0.279 nan 8.290 nan 0.000 0.471 389 F N 2.102 121.743 119.950 -0.514 0.000 2.461 389 F HA 0.267 4.793 4.527 -0.001 0.000 0.321 389 F C 1.131 176.661 175.800 -0.449 0.000 1.203 389 F CA -0.721 56.815 58.000 -0.774 0.000 1.238 389 F CB -0.796 37.544 39.000 -1.100 0.000 1.528 389 F HN 0.554 nan 8.300 nan 0.000 0.554 390 H N 0.663 119.666 119.070 -0.111 0.000 2.265 390 H HA -0.211 4.344 4.556 -0.001 0.000 0.293 390 H C 2.333 177.443 175.328 -0.364 0.000 1.089 390 H CA 1.803 57.751 56.048 -0.165 0.000 1.244 390 H CB 0.063 29.715 29.762 -0.184 0.000 1.355 390 H HN 0.352 nan 8.280 nan 0.000 0.485 391 R N 1.418 121.654 120.500 -0.440 0.000 2.115 391 R HA -0.177 4.162 4.340 -0.001 0.000 0.239 391 R C 2.348 178.383 176.300 -0.443 0.000 1.133 391 R CA 1.884 57.684 56.100 -0.499 0.000 0.935 391 R CB -0.379 29.612 30.300 -0.514 0.000 0.853 391 R HN 0.167 nan 8.270 nan 0.000 0.433 392 K N 0.392 120.276 120.400 -0.860 0.000 2.032 392 K HA -0.142 4.177 4.320 -0.001 0.000 0.209 392 K C 2.088 178.562 176.600 -0.210 0.000 1.048 392 K CA 1.260 57.161 56.287 -0.643 0.000 0.927 392 K CB -0.730 31.108 32.500 -1.103 0.000 0.712 392 K HN 0.107 nan 8.250 nan 0.000 0.441 393 L N 0.113 121.244 121.223 -0.152 0.000 1.970 393 L HA -0.141 4.198 4.340 -0.001 0.000 0.212 393 L C 2.018 178.960 176.870 0.120 0.000 1.071 393 L CA 1.808 56.667 54.840 0.031 0.000 0.751 393 L CB -0.906 41.183 42.059 0.051 0.000 0.889 393 L HN 0.280 nan 8.230 nan 0.000 0.432 394 F N 0.799 120.778 119.950 0.048 0.000 2.043 394 F HA -0.298 4.228 4.527 -0.001 0.000 0.297 394 F C 2.404 178.258 175.800 0.090 0.000 1.121 394 F CA 2.361 60.455 58.000 0.155 0.000 1.199 394 F CB -0.470 38.677 39.000 0.244 0.000 0.968 394 F HN 0.278 nan 8.300 nan 0.000 0.478 395 E N -0.169 120.140 120.200 0.182 0.000 2.114 395 E HA -0.282 4.067 4.350 -0.001 0.000 0.199 395 E C 2.102 178.684 176.600 -0.031 0.000 1.008 395 E CA 1.915 58.347 56.400 0.053 0.000 0.810 395 E CB -0.375 29.345 29.700 0.034 0.000 0.739 395 E HN 0.644 nan 8.360 nan 0.000 0.456 396 E N 0.285 120.479 120.200 -0.009 0.000 2.072 396 E HA -0.150 4.200 4.350 -0.001 0.000 0.190 396 E C 2.064 178.652 176.600 -0.020 0.000 0.982 396 E CA 0.451 56.847 56.400 -0.006 0.000 0.803 396 E CB -0.007 29.708 29.700 0.025 0.000 0.755 396 E HN 0.068 nan 8.360 nan 0.000 0.453 397 L N 0.773 121.985 121.223 -0.019 0.000 2.131 397 L HA -0.143 4.197 4.340 -0.001 0.000 0.210 397 L C 2.121 178.992 176.870 0.002 0.000 1.092 397 L CA 1.616 56.453 54.840 -0.005 0.000 0.759 397 L CB -0.765 41.309 42.059 0.025 0.000 0.903 397 L HN 0.062 nan 8.230 nan 0.000 0.435 398 A N -1.046 121.695 122.820 -0.132 0.000 1.861 398 A HA -0.145 4.175 4.320 -0.001 0.000 0.212 398 A C 2.396 179.922 177.584 -0.096 0.000 1.199 398 A CA 0.961 52.886 52.037 -0.187 0.000 0.613 398 A CB -0.458 18.289 19.000 -0.421 0.000 0.846 398 A HN 0.330 nan 8.150 nan 0.000 0.446 399 R N -0.222 120.232 120.500 -0.077 0.000 2.357 399 R HA 0.094 4.433 4.340 -0.001 0.000 0.202 399 R C 0.751 177.025 176.300 -0.042 0.000 1.047 399 R CA 0.805 56.876 56.100 -0.049 0.000 1.034 399 R CB -0.209 30.072 30.300 -0.032 0.000 0.875 399 R HN 0.404 nan 8.270 nan 0.000 0.473 400 A N 0.088 122.885 122.820 -0.037 0.000 2.624 400 A HA 0.129 4.448 4.320 -0.001 0.000 0.287 400 A C 0.025 177.593 177.584 -0.027 0.000 1.087 400 A CA -0.289 51.729 52.037 -0.032 0.000 0.964 400 A CB 0.558 19.545 19.000 -0.022 0.000 1.231 400 A HN 0.227 nan 8.150 nan 0.000 0.551 401 S N 0.952 116.639 115.700 -0.021 0.000 2.665 401 S HA 0.549 5.019 4.470 -0.001 0.000 0.230 401 S C -2.759 171.812 174.600 -0.047 0.000 1.326 401 S CA -1.211 56.992 58.200 0.005 0.000 1.055 401 S CB -0.050 63.201 63.200 0.085 0.000 1.178 401 S HN 0.135 nan 8.310 nan 0.000 0.489 402 P HA 0.196 nan 4.420 nan 0.000 0.266 402 P C 0.550 177.678 177.300 -0.286 0.000 1.195 402 P CA 0.540 63.451 63.100 -0.315 0.000 0.768 402 P CB 0.248 31.677 31.700 -0.450 0.000 0.838 403 H N -0.334 118.734 119.070 -0.003 0.000 1.452 403 H HA -0.227 4.329 4.556 -0.001 0.000 0.090 403 H C 0.106 175.429 175.328 -0.009 0.000 0.629 403 H CA 1.117 57.162 56.048 -0.006 0.000 1.901 403 H CB -1.948 27.811 29.762 -0.004 0.000 2.257 403 H HN 0.659 nan 8.280 nan 0.000 0.961 404 S N -0.358 115.441 115.700 0.165 0.000 2.711 404 S HA 0.031 4.500 4.470 -0.001 0.000 0.856 404 S C 0.545 175.160 174.600 0.026 0.000 0.760 404 S CA 1.674 59.913 58.200 0.066 0.000 1.585 404 S CB -1.196 62.023 63.200 0.032 0.000 1.138 404 S HN 1.377 nan 8.310 nan 0.000 0.365 405 T N 0.155 114.708 114.554 -0.000 0.000 3.046 405 T HA 0.259 4.609 4.350 -0.001 0.000 0.270 405 T C -0.050 174.613 174.700 -0.062 0.000 0.920 405 T CA 0.440 62.525 62.100 -0.025 0.000 0.874 405 T CB 0.081 68.935 68.868 -0.023 0.000 1.214 405 T HN 0.598 nan 8.240 nan 0.000 0.536 406 D N 2.407 122.766 120.400 -0.068 0.000 2.348 406 D HA 0.163 4.803 4.640 -0.001 0.000 0.259 406 D C 1.363 177.548 176.300 -0.191 0.000 1.296 406 D CA -0.377 53.544 54.000 -0.132 0.000 0.931 406 D CB 0.408 41.157 40.800 -0.086 0.000 1.067 406 D HN 0.299 nan 8.370 nan 0.000 0.503 407 L N 3.340 124.381 121.223 -0.303 0.000 2.187 407 L HA -0.209 4.130 4.340 -0.001 0.000 0.213 407 L C 2.265 178.926 176.870 -0.347 0.000 1.100 407 L CA 0.667 55.325 54.840 -0.303 0.000 0.765 407 L CB -0.459 41.425 42.059 -0.291 0.000 0.904 407 L HN 0.439 nan 8.230 nan 0.000 0.437 408 M N 0.079 119.352 119.600 -0.544 0.000 2.213 408 M HA -0.173 4.307 4.480 -0.001 0.000 0.263 408 M C 2.141 178.408 176.300 -0.055 0.000 1.062 408 M CA 1.611 56.750 55.300 -0.268 0.000 1.105 408 M CB -0.394 32.070 32.600 -0.226 0.000 1.385 408 M HN 0.137 nan 8.290 nan 0.000 0.417 409 E N 0.038 120.209 120.200 -0.049 0.000 2.038 409 E HA -0.218 4.131 4.350 -0.001 0.000 0.195 409 E C 2.065 178.626 176.600 -0.065 0.000 1.000 409 E CA 1.702 58.123 56.400 0.036 0.000 0.803 409 E CB -0.792 28.926 29.700 0.030 0.000 0.750 409 E HN 0.625 nan 8.360 nan 0.000 0.448 410 A N 1.731 124.508 122.820 -0.071 0.000 1.865 410 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 410 A C 2.249 179.818 177.584 -0.025 0.000 1.191 410 A CA 1.954 53.953 52.037 -0.062 0.000 0.623 410 A CB -0.474 18.505 19.000 -0.036 0.000 0.826 410 A HN 0.130 nan 8.150 nan 0.000 0.444 411 M N -0.357 119.258 119.600 0.024 0.000 2.108 411 M HA -0.173 4.307 4.480 -0.001 0.000 0.261 411 M C 2.511 178.844 176.300 0.054 0.000 1.066 411 M CA 1.685 57.031 55.300 0.076 0.000 1.107 411 M CB -1.732 30.974 32.600 0.177 0.000 1.356 411 M HN 0.511 nan 8.290 nan 0.000 0.406 412 A N 0.051 122.905 122.820 0.056 0.000 1.851 412 A HA -0.196 4.124 4.320 -0.001 0.000 0.216 412 A C 2.289 179.896 177.584 0.038 0.000 1.195 412 A CA 1.987 54.081 52.037 0.095 0.000 0.622 412 A CB -0.694 18.435 19.000 0.216 0.000 0.831 412 A HN 0.484 nan 8.150 nan 0.000 0.444 413 M N -0.689 118.823 119.600 -0.146 0.000 2.108 413 M HA -0.138 4.341 4.480 -0.001 0.000 0.261 413 M C 2.281 178.637 176.300 0.093 0.000 1.066 413 M CA 1.537 56.764 55.300 -0.121 0.000 1.107 413 M CB -0.609 31.748 32.600 -0.404 0.000 1.356 413 M HN 0.550 nan 8.290 nan 0.000 0.406 414 G N -0.980 107.830 108.800 0.017 0.000 2.408 414 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.217 414 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.217 414 G C 1.586 176.472 174.900 -0.024 0.000 1.150 414 G CA 1.037 46.144 45.100 0.011 0.000 0.776 414 G HN 0.418 nan 8.290 nan 0.000 0.542 415 S N -0.164 115.525 115.700 -0.018 0.000 2.357 415 S HA -0.067 4.402 4.470 -0.001 0.000 0.221 415 S C 2.514 177.039 174.600 -0.125 0.000 1.031 415 S CA 0.977 59.151 58.200 -0.044 0.000 0.982 415 S CB -0.204 62.993 63.200 -0.004 0.000 0.853 415 S HN 0.167 nan 8.310 nan 0.000 0.458 416 V N 1.845 121.677 119.914 -0.136 0.000 2.295 416 V HA -0.169 3.951 4.120 -0.001 0.000 0.246 416 V C 2.564 178.246 176.094 -0.686 0.000 1.049 416 V CA 2.063 64.141 62.300 -0.369 0.000 1.024 416 V CB -0.667 31.061 31.823 -0.159 0.000 0.648 416 V HN 0.411 nan 8.190 nan 0.000 0.447 417 E N 0.908 120.815 120.200 -0.488 0.000 2.058 417 E HA -0.225 4.124 4.350 -0.001 0.000 0.194 417 E C 2.105 178.575 176.600 -0.218 0.000 0.997 417 E CA 1.898 58.049 56.400 -0.415 0.000 0.801 417 E CB -0.539 29.032 29.700 -0.215 0.000 0.746 417 E HN 0.518 nan 8.360 nan 0.000 0.450 418 A N 0.154 122.874 122.820 -0.166 0.000 1.933 418 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 418 A C 2.383 179.896 177.584 -0.118 0.000 1.175 418 A CA 2.228 54.201 52.037 -0.106 0.000 0.628 418 A CB -0.950 18.003 19.000 -0.077 0.000 0.814 418 A HN 0.448 nan 8.150 nan 0.000 0.444 419 S N -1.316 114.266 115.700 -0.197 0.000 2.383 419 S HA -0.176 4.293 4.470 -0.001 0.000 0.227 419 S C 1.883 176.409 174.600 -0.124 0.000 1.026 419 S CA 1.351 59.440 58.200 -0.185 0.000 0.981 419 S CB -0.775 62.273 63.200 -0.255 0.000 0.818 419 S HN 0.495 nan 8.310 nan 0.000 0.472 420 Y N 2.182 122.384 120.300 -0.162 0.000 2.114 420 Y HA 0.067 4.617 4.550 -0.001 0.000 0.284 420 Y C 2.757 178.581 175.900 -0.126 0.000 1.143 420 Y CA 0.763 58.760 58.100 -0.172 0.000 1.135 420 Y CB -0.780 37.535 38.460 -0.242 0.000 0.980 420 Y HN 0.141 nan 8.280 nan 0.000 0.499 421 K N 0.421 120.854 120.400 0.056 0.000 2.020 421 K HA -0.181 4.138 4.320 -0.001 0.000 0.212 421 K C 1.906 178.504 176.600 -0.004 0.000 1.050 421 K CA 1.820 58.111 56.287 0.007 0.000 0.929 421 K CB -0.991 31.501 32.500 -0.013 0.000 0.714 421 K HN 0.536 nan 8.250 nan 0.000 0.443 422 C N 0.548 119.838 119.300 -0.016 0.000 2.559 422 C HA 0.433 4.893 4.460 -0.001 0.000 0.300 422 C C 0.898 175.877 174.990 -0.019 0.000 1.288 422 C CA -0.821 58.184 59.018 -0.020 0.000 1.699 422 C CB -1.677 26.044 27.740 -0.032 0.000 1.819 422 C HN 0.436 nan 8.230 nan 0.000 0.600 423 L N 0.513 121.731 121.223 -0.008 0.000 3.954 423 L HA -0.256 4.083 4.340 -0.001 0.000 0.462 423 L C 1.203 178.061 176.870 -0.019 0.000 1.195 423 L CA 0.419 55.256 54.840 -0.004 0.000 0.739 423 L CB -2.103 39.957 42.059 0.003 0.000 1.599 423 L HN 0.731 nan 8.230 nan 0.000 0.838 424 A N 0.224 123.020 122.820 -0.040 0.000 2.520 424 A HA 0.437 4.757 4.320 -0.001 0.000 0.235 424 A C 1.448 179.012 177.584 -0.033 0.000 1.065 424 A CA 0.685 52.689 52.037 -0.056 0.000 0.764 424 A CB 0.624 19.577 19.000 -0.078 0.000 1.002 424 A HN 0.692 nan 8.150 nan 0.000 0.502 425 A N 1.579 124.384 122.820 -0.026 0.000 2.016 425 A HA 0.480 4.800 4.320 -0.001 0.000 0.217 425 A C 1.125 178.779 177.584 0.118 0.000 1.162 425 A CA 1.774 53.856 52.037 0.076 0.000 0.662 425 A CB -0.387 18.718 19.000 0.174 0.000 0.812 425 A HN 2.442 nan 8.150 nan 0.000 0.450 426 A N -2.072 120.770 122.820 0.035 0.000 2.586 426 A HA 0.596 4.915 4.320 -0.001 0.000 0.291 426 A C -1.939 175.649 177.584 0.007 0.000 1.062 426 A CA -0.607 51.475 52.037 0.074 0.000 0.666 426 A CB 0.276 19.465 19.000 0.316 0.000 1.281 426 A HN 0.297 nan 8.150 nan 0.000 0.421 427 L N 1.108 122.348 121.223 0.029 0.000 2.325 427 L HA 0.590 4.929 4.340 -0.001 0.000 0.281 427 L C -0.505 176.397 176.870 0.053 0.000 1.004 427 L CA 0.072 54.921 54.840 0.014 0.000 0.823 427 L CB 1.502 43.564 42.059 0.005 0.000 1.236 427 L HN 0.578 nan 8.230 nan 0.000 0.415 428 I N 3.933 124.527 120.570 0.040 0.000 2.321 428 I HA 0.440 4.609 4.170 -0.001 0.000 0.291 428 I C -0.665 175.479 176.117 0.046 0.000 0.998 428 I CA -0.706 60.630 61.300 0.060 0.000 1.227 428 I CB 1.473 39.502 38.000 0.047 0.000 1.368 428 I HN 0.204 nan 8.210 nan 0.000 0.466 429 V N 7.543 127.489 119.914 0.054 0.000 2.483 429 V HA 0.392 4.511 4.120 -0.001 0.000 0.297 429 V C -0.052 176.062 176.094 0.034 0.000 1.027 429 V CA -0.589 61.737 62.300 0.043 0.000 0.855 429 V CB 2.005 33.854 31.823 0.043 0.000 0.995 429 V HN 0.492 nan 8.190 nan 0.000 0.424 430 L N 4.295 125.534 121.223 0.026 0.000 2.264 430 L HA 0.731 5.070 4.340 -0.001 0.000 0.289 430 L C 0.149 177.039 176.870 0.033 0.000 1.044 430 L CA 0.223 55.074 54.840 0.017 0.000 0.807 430 L CB 1.583 43.636 42.059 -0.010 0.000 1.192 430 L HN 0.758 nan 8.230 nan 0.000 0.425 431 T N 0.866 115.433 114.554 0.021 0.000 2.889 431 T HA 0.307 4.656 4.350 -0.001 0.000 0.315 431 T C -0.049 174.656 174.700 0.009 0.000 1.291 431 T CA -0.395 61.712 62.100 0.011 0.000 1.028 431 T CB 1.888 70.731 68.868 -0.041 0.000 1.235 431 T HN 0.605 nan 8.240 nan 0.000 0.491 432 E N 0.902 121.111 120.200 0.015 0.000 2.288 432 E HA 0.091 4.441 4.350 -0.001 0.000 0.200 432 E C 2.152 178.755 176.600 0.005 0.000 0.880 432 E CA 1.113 57.528 56.400 0.024 0.000 0.971 432 E CB -0.291 29.438 29.700 0.048 0.000 0.954 432 E HN 0.652 nan 8.360 nan 0.000 0.489 433 S N -0.354 115.339 115.700 -0.012 0.000 2.461 433 S HA 0.126 4.595 4.470 -0.001 0.000 0.228 433 S C 1.720 176.255 174.600 -0.109 0.000 1.005 433 S CA 1.088 59.274 58.200 -0.023 0.000 0.942 433 S CB 0.184 63.377 63.200 -0.011 0.000 0.776 433 S HN 0.332 nan 8.310 nan 0.000 0.514 434 G N 1.684 110.361 108.800 -0.204 0.000 2.195 434 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.246 434 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.246 434 G C 0.995 175.301 174.900 -0.991 0.000 0.984 434 G CA 0.317 45.134 45.100 -0.471 0.000 0.633 434 G HN 0.492 nan 8.290 nan 0.000 0.525 435 R N 0.768 120.918 120.500 -0.582 0.000 2.115 435 R HA -0.101 4.239 4.340 -0.001 0.000 0.239 435 R C 2.806 178.951 176.300 -0.257 0.000 1.133 435 R CA 2.050 57.912 56.100 -0.397 0.000 0.935 435 R CB -0.698 29.538 30.300 -0.106 0.000 0.853 435 R HN 0.391 nan 8.270 nan 0.000 0.433 436 S N 0.336 115.963 115.700 -0.122 0.000 2.374 436 S HA -0.217 4.252 4.470 -0.001 0.000 0.227 436 S C 2.029 176.610 174.600 -0.032 0.000 1.037 436 S CA 1.467 59.661 58.200 -0.010 0.000 1.024 436 S CB -0.252 62.988 63.200 0.065 0.000 0.861 436 S HN 0.543 nan 8.310 nan 0.000 0.456 437 A N 1.244 123.996 122.820 -0.113 0.000 1.930 437 A HA -0.121 4.199 4.320 -0.001 0.000 0.217 437 A C 1.781 179.353 177.584 -0.021 0.000 1.175 437 A CA 1.441 53.448 52.037 -0.050 0.000 0.627 437 A CB -0.821 18.147 19.000 -0.054 0.000 0.815 437 A HN 0.509 nan 8.150 nan 0.000 0.443 438 H N 0.172 119.087 119.070 -0.257 0.000 2.319 438 H HA -0.124 4.432 4.556 -0.001 0.000 0.299 438 H C 2.238 177.485 175.328 -0.135 0.000 1.092 438 H CA 1.716 57.507 56.048 -0.429 0.000 1.302 438 H CB -0.444 29.006 29.762 -0.519 0.000 1.373 438 H HN 0.469 nan 8.280 nan 0.000 0.497 439 Q N 0.250 120.096 119.800 0.077 0.000 2.096 439 Q HA -0.085 4.254 4.340 -0.001 0.000 0.204 439 Q C 2.661 178.764 176.000 0.171 0.000 0.982 439 Q CA 1.017 56.887 55.803 0.111 0.000 0.850 439 Q CB -0.607 28.200 28.738 0.114 0.000 0.901 439 Q HN 0.320 nan 8.270 nan 0.000 0.422 440 V N 1.105 121.105 119.914 0.143 0.000 2.427 440 V HA -0.217 3.902 4.120 -0.001 0.000 0.248 440 V C 2.365 178.553 176.094 0.157 0.000 1.051 440 V CA 1.624 64.023 62.300 0.165 0.000 1.048 440 V CB -0.991 30.895 31.823 0.105 0.000 0.666 440 V HN 0.315 nan 8.190 nan 0.000 0.456 441 A N 0.078 122.970 122.820 0.121 0.000 1.898 441 A HA -0.230 4.090 4.320 -0.001 0.000 0.216 441 A C 2.395 180.042 177.584 0.105 0.000 1.181 441 A CA 1.809 53.925 52.037 0.132 0.000 0.620 441 A CB -0.589 18.513 19.000 0.169 0.000 0.819 441 A HN 0.471 nan 8.150 nan 0.000 0.442 442 R N -1.495 119.027 120.500 0.036 0.000 2.119 442 R HA -0.219 4.120 4.340 -0.001 0.000 0.246 442 R C 0.934 177.073 176.300 -0.270 0.000 1.146 442 R CA 2.093 58.104 56.100 -0.148 0.000 0.962 442 R CB -0.402 29.715 30.300 -0.306 0.000 0.863 442 R HN 0.568 nan 8.270 nan 0.000 0.442 443 Y N 1.059 121.427 120.300 0.114 0.000 2.470 443 Y HA 0.204 4.754 4.550 -0.001 0.000 0.302 443 Y C 0.032 176.090 175.900 0.262 0.000 1.194 443 Y CA -0.084 58.107 58.100 0.152 0.000 1.271 443 Y CB 0.142 38.699 38.460 0.162 0.000 1.092 443 Y HN -0.019 nan 8.280 nan 0.000 0.513 444 R N 0.005 120.660 120.500 0.260 0.000 3.059 444 R HA -0.165 4.175 4.340 -0.001 0.000 0.251 444 R C -2.884 173.606 176.300 0.317 0.000 0.886 444 R CA 0.215 56.483 56.100 0.280 0.000 0.634 444 R CB -1.801 28.673 30.300 0.290 0.000 1.282 444 R HN 0.301 nan 8.270 nan 0.000 0.487 445 P HA 0.058 nan 4.420 nan 0.000 0.274 445 P C 0.522 177.856 177.300 0.057 0.000 1.246 445 P CA -0.371 62.709 63.100 -0.034 0.000 0.795 445 P CB 0.658 32.297 31.700 -0.103 0.000 1.006 446 R N 1.244 121.706 120.500 -0.064 0.000 2.100 446 R HA 0.107 4.447 4.340 -0.001 0.000 0.220 446 R C 0.794 177.055 176.300 -0.064 0.000 1.091 446 R CA 0.447 56.443 56.100 -0.173 0.000 0.986 446 R CB -0.377 29.661 30.300 -0.438 0.000 0.888 446 R HN 0.559 nan 8.270 nan 0.000 0.444 447 A N 2.607 125.383 122.820 -0.074 0.000 2.332 447 A HA 0.395 4.715 4.320 -0.001 0.000 0.258 447 A C -2.266 175.280 177.584 -0.063 0.000 1.087 447 A CA -1.630 50.367 52.037 -0.067 0.000 0.802 447 A CB 0.117 19.084 19.000 -0.054 0.000 1.042 447 A HN 0.289 nan 8.150 nan 0.000 0.489 448 P HA 0.182 nan 4.420 nan 0.000 0.271 448 P C -0.853 176.442 177.300 -0.008 0.000 1.216 448 P CA 0.344 63.365 63.100 -0.132 0.000 0.776 448 P CB 0.516 31.941 31.700 -0.458 0.000 0.881 449 I N 4.081 124.688 120.570 0.061 0.000 2.307 449 I HA 0.266 4.435 4.170 -0.001 0.000 0.287 449 I C 0.697 176.914 176.117 0.167 0.000 1.054 449 I CA -0.600 60.760 61.300 0.101 0.000 1.218 449 I CB 0.287 38.348 38.000 0.101 0.000 1.398 449 I HN 0.127 nan 8.210 nan 0.000 0.475 450 I N 6.226 126.904 120.570 0.180 0.000 2.294 450 I HA 0.239 4.408 4.170 -0.001 0.000 0.295 450 I C 0.711 176.930 176.117 0.171 0.000 1.098 450 I CA -0.090 61.356 61.300 0.243 0.000 1.277 450 I CB 0.674 38.829 38.000 0.258 0.000 1.434 450 I HN 0.568 nan 8.210 nan 0.000 0.498 451 A N 7.338 130.250 122.820 0.153 0.000 2.294 451 A HA 0.539 4.859 4.320 -0.001 0.000 0.316 451 A C -0.221 177.403 177.584 0.067 0.000 1.359 451 A CA -0.400 51.687 52.037 0.083 0.000 0.956 451 A CB 0.382 19.411 19.000 0.049 0.000 1.155 451 A HN 0.460 nan 8.150 nan 0.000 0.544 452 V N 2.922 122.868 119.914 0.054 0.000 2.406 452 V HA 0.613 4.733 4.120 -0.001 0.000 0.272 452 V C 0.614 176.717 176.094 0.015 0.000 1.043 452 V CA 0.102 62.424 62.300 0.037 0.000 0.915 452 V CB 1.140 32.983 31.823 0.032 0.000 0.988 452 V HN 0.947 nan 8.190 nan 0.000 0.466 453 T N 4.386 118.943 114.554 0.004 0.000 2.883 453 T HA 0.434 4.783 4.350 -0.001 0.000 0.301 453 T C 0.455 175.153 174.700 -0.004 0.000 1.158 453 T CA -0.637 61.466 62.100 0.005 0.000 1.007 453 T CB 1.741 70.612 68.868 0.004 0.000 1.186 453 T HN 0.633 nan 8.240 nan 0.000 0.499 454 R N 1.375 121.890 120.500 0.026 0.000 2.362 454 R HA 0.222 4.562 4.340 -0.001 0.000 0.227 454 R C 0.438 176.811 176.300 0.122 0.000 0.905 454 R CA -0.199 55.931 56.100 0.050 0.000 1.067 454 R CB 0.230 30.572 30.300 0.070 0.000 1.078 454 R HN 0.350 nan 8.270 nan 0.000 0.516 455 N N 1.113 119.870 118.700 0.096 0.000 2.719 455 N HA -0.020 4.720 4.740 -0.001 0.000 0.243 455 N C 0.237 175.840 175.510 0.155 0.000 1.104 455 N CA 0.116 53.248 53.050 0.138 0.000 0.981 455 N CB 0.337 38.875 38.487 0.085 0.000 1.290 455 N HN 0.139 nan 8.380 nan 0.000 0.513 456 H N 1.031 120.130 119.070 0.049 0.000 2.407 456 H HA -0.248 4.308 4.556 -0.001 0.000 0.293 456 H C 1.820 177.185 175.328 0.063 0.000 1.122 456 H CA 2.405 58.493 56.048 0.067 0.000 1.232 456 H CB 0.198 30.000 29.762 0.066 0.000 1.361 456 H HN 0.646 nan 8.280 nan 0.000 0.498 457 Q N 0.226 120.134 119.800 0.179 0.000 2.049 457 Q HA -0.146 4.193 4.340 -0.001 0.000 0.198 457 Q C 2.241 178.300 176.000 0.099 0.000 0.971 457 Q CA 2.177 58.051 55.803 0.118 0.000 0.833 457 Q CB -0.008 28.784 28.738 0.090 0.000 0.896 457 Q HN 0.630 nan 8.270 nan 0.000 0.434 458 T N -1.750 112.859 114.554 0.092 0.000 2.881 458 T HA -0.024 4.325 4.350 -0.001 0.000 0.270 458 T C 1.802 176.541 174.700 0.065 0.000 1.068 458 T CA 1.005 63.158 62.100 0.090 0.000 1.131 458 T CB -0.430 68.475 68.868 0.062 0.000 0.871 458 T HN 0.379 nan 8.240 nan 0.000 0.479 459 A N 2.018 124.857 122.820 0.031 0.000 1.855 459 A HA 0.032 4.351 4.320 -0.001 0.000 0.215 459 A C 2.610 180.148 177.584 -0.077 0.000 1.191 459 A CA 1.313 53.328 52.037 -0.037 0.000 0.613 459 A CB -0.677 18.298 19.000 -0.041 0.000 0.829 459 A HN 0.478 nan 8.150 nan 0.000 0.442 460 R N -0.495 120.017 120.500 0.019 0.000 2.083 460 R HA -0.159 4.181 4.340 -0.001 0.000 0.237 460 R C 2.468 178.834 176.300 0.110 0.000 1.137 460 R CA 1.852 58.000 56.100 0.080 0.000 0.951 460 R CB -0.309 30.057 30.300 0.110 0.000 0.851 460 R HN 0.700 nan 8.270 nan 0.000 0.434 461 Q N -0.402 119.462 119.800 0.107 0.000 2.224 461 Q HA -0.043 4.296 4.340 -0.001 0.000 0.203 461 Q C 2.086 178.207 176.000 0.202 0.000 0.970 461 Q CA 1.038 56.931 55.803 0.150 0.000 0.865 461 Q CB -0.032 28.805 28.738 0.164 0.000 0.922 461 Q HN 0.340 nan 8.270 nan 0.000 0.445 462 A N 0.976 123.885 122.820 0.149 0.000 1.986 462 A HA -0.257 4.063 4.320 -0.001 0.000 0.220 462 A C 1.403 179.106 177.584 0.198 0.000 1.171 462 A CA 1.720 53.876 52.037 0.200 0.000 0.640 462 A CB -0.882 18.131 19.000 0.022 0.000 0.811 462 A HN 0.455 nan 8.150 nan 0.000 0.451 463 H N -0.667 118.483 119.070 0.134 0.000 2.492 463 H HA -0.048 4.508 4.556 -0.001 0.000 0.296 463 H C 1.638 177.000 175.328 0.056 0.000 1.095 463 H CA 1.171 57.264 56.048 0.076 0.000 1.281 463 H CB -0.231 29.544 29.762 0.021 0.000 1.374 463 H HN 0.427 nan 8.280 nan 0.000 0.545 464 L N -0.083 121.214 121.223 0.123 0.000 2.362 464 L HA -0.115 4.224 4.340 -0.001 0.000 0.219 464 L C -0.119 176.553 176.870 -0.330 0.000 1.134 464 L CA 0.434 55.195 54.840 -0.132 0.000 0.807 464 L CB -0.030 41.855 42.059 -0.290 0.000 0.927 464 L HN 0.280 nan 8.230 nan 0.000 0.447 465 Y N -0.599 119.711 120.300 0.016 0.000 2.330 465 Y HA 0.364 4.913 4.550 -0.001 0.000 0.336 465 Y C 0.648 176.581 175.900 0.054 0.000 1.036 465 Y CA -1.224 56.882 58.100 0.010 0.000 1.125 465 Y CB 0.701 39.158 38.460 -0.005 0.000 1.194 465 Y HN -0.111 nan 8.280 nan 0.000 0.469 466 R N 1.686 122.284 120.500 0.163 0.000 2.502 466 R HA 0.276 4.616 4.340 -0.001 0.000 0.292 466 R C 1.167 177.565 176.300 0.163 0.000 0.998 466 R CA 1.173 57.355 56.100 0.137 0.000 1.056 466 R CB -0.480 29.884 30.300 0.107 0.000 0.939 466 R HN 0.970 nan 8.270 nan 0.000 0.411 467 G N 3.945 112.836 108.800 0.151 0.000 2.234 467 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.260 467 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.260 467 G C 0.289 175.288 174.900 0.166 0.000 0.987 467 G CA 0.304 45.487 45.100 0.139 0.000 0.625 467 G HN 0.584 nan 8.290 nan 0.000 0.532 468 I N 0.847 121.530 120.570 0.188 0.000 2.452 468 I HA 0.388 4.558 4.170 -0.001 0.000 0.287 468 I C -0.024 176.213 176.117 0.200 0.000 1.079 468 I CA -0.424 60.983 61.300 0.178 0.000 1.387 468 I CB 0.659 38.751 38.000 0.153 0.000 1.404 468 I HN 0.100 nan 8.210 nan 0.000 0.522 469 F N 10.157 130.150 119.950 0.072 0.000 2.293 469 F HA 0.434 4.960 4.527 -0.001 0.000 0.370 469 F C -2.036 173.789 175.800 0.041 0.000 1.090 469 F CA -2.664 55.392 58.000 0.093 0.000 1.133 469 F CB 0.710 39.820 39.000 0.183 0.000 1.360 469 F HN 0.263 nan 8.300 nan 0.000 0.489 470 P HA 0.046 nan 4.420 nan 0.000 0.268 470 P C -1.053 176.183 177.300 -0.106 0.000 1.204 470 P CA 0.167 63.162 63.100 -0.174 0.000 0.768 470 P CB 1.799 33.283 31.700 -0.360 0.000 0.842 471 V N 4.767 124.685 119.914 0.008 0.000 2.488 471 V HA 0.100 4.220 4.120 -0.001 0.000 0.293 471 V C 0.224 176.330 176.094 0.020 0.000 1.027 471 V CA -0.808 61.525 62.300 0.056 0.000 0.862 471 V CB 2.186 34.089 31.823 0.133 0.000 1.008 471 V HN 0.266 nan 8.190 nan 0.000 0.428 472 V N 4.319 124.242 119.914 0.014 0.000 2.455 472 V HA 0.157 4.276 4.120 -0.001 0.000 0.273 472 V C 0.517 176.577 176.094 -0.056 0.000 1.045 472 V CA -0.201 62.050 62.300 -0.081 0.000 0.976 472 V CB 1.169 32.875 31.823 -0.194 0.000 0.993 472 V HN 1.012 nan 8.190 nan 0.000 0.475 473 C N 6.562 125.830 119.300 -0.054 0.000 2.325 473 C HA 0.411 4.870 4.460 -0.001 0.000 0.347 473 C C 1.333 176.315 174.990 -0.013 0.000 1.263 473 C CA -0.542 58.465 59.018 -0.019 0.000 1.806 473 C CB -0.238 27.499 27.740 -0.006 0.000 2.405 473 C HN 1.030 nan 8.230 nan 0.000 0.537 474 K N 2.316 122.717 120.400 0.001 0.000 2.352 474 K HA 0.119 4.438 4.320 -0.001 0.000 0.194 474 K C 0.297 176.914 176.600 0.029 0.000 1.038 474 K CA 0.002 56.307 56.287 0.030 0.000 1.023 474 K CB 0.138 32.651 32.500 0.022 0.000 0.840 474 K HN 0.737 nan 8.250 nan 0.000 0.519 475 D N 3.264 123.672 120.400 0.014 0.000 2.472 475 D HA 0.004 4.643 4.640 -0.001 0.000 0.237 475 D C -2.143 174.166 176.300 0.015 0.000 1.141 475 D CA -0.651 53.355 54.000 0.009 0.000 0.875 475 D CB 0.606 41.405 40.800 -0.001 0.000 1.192 475 D HN 0.075 nan 8.370 nan 0.000 0.450 476 P HA -0.001 nan 4.420 nan 0.000 0.274 476 P C -0.095 177.215 177.300 0.016 0.000 1.237 476 P CA -0.523 62.588 63.100 0.018 0.000 0.793 476 P CB 0.862 32.571 31.700 0.015 0.000 0.977 477 V N 2.157 122.087 119.914 0.027 0.000 2.493 477 V HA -0.022 4.098 4.120 -0.001 0.000 0.292 477 V C 0.402 176.513 176.094 0.028 0.000 1.016 477 V CA 0.228 62.548 62.300 0.034 0.000 1.097 477 V CB -0.254 31.606 31.823 0.062 0.000 0.947 477 V HN 0.472 nan 8.190 nan 0.000 0.479 478 Q N 4.819 124.628 119.800 0.015 0.000 2.421 478 Q HA 0.180 4.519 4.340 -0.001 0.000 0.255 478 Q C 1.217 177.236 176.000 0.032 0.000 1.013 478 Q CA 0.302 56.111 55.803 0.009 0.000 0.895 478 Q CB 0.809 29.535 28.738 -0.019 0.000 1.271 478 Q HN 0.833 nan 8.270 nan 0.000 0.460 479 E N 0.907 121.121 120.200 0.023 0.000 2.023 479 E HA -0.139 4.211 4.350 -0.001 0.000 0.196 479 E C -0.190 176.440 176.600 0.050 0.000 1.003 479 E CA 1.409 57.827 56.400 0.031 0.000 0.809 479 E CB -0.326 29.384 29.700 0.016 0.000 0.755 479 E HN 0.619 nan 8.360 nan 0.000 0.449 480 A N 1.437 124.280 122.820 0.038 0.000 2.320 480 A HA 0.068 4.388 4.320 -0.001 0.000 0.287 480 A C 0.776 178.412 177.584 0.087 0.000 1.181 480 A CA -0.454 51.616 52.037 0.055 0.000 0.831 480 A CB -0.109 18.899 19.000 0.014 0.000 1.102 480 A HN 0.501 nan 8.150 nan 0.000 0.513 481 W N 2.981 124.234 121.300 -0.079 0.000 2.325 481 W HA -0.275 4.385 4.660 -0.001 0.000 0.299 481 W C 1.584 178.039 176.519 -0.107 0.000 1.215 481 W CA 1.993 59.283 57.345 -0.093 0.000 1.244 481 W CB -0.045 29.344 29.460 -0.118 0.000 1.140 481 W HN 0.787 nan 8.180 nan 0.000 0.523 482 A N 0.668 123.411 122.820 -0.129 0.000 1.898 482 A HA -0.230 4.090 4.320 -0.001 0.000 0.216 482 A C 1.818 179.255 177.584 -0.244 0.000 1.181 482 A CA 1.858 53.745 52.037 -0.250 0.000 0.620 482 A CB -0.927 17.989 19.000 -0.140 0.000 0.819 482 A HN 0.457 nan 8.150 nan 0.000 0.442 483 E N -0.770 119.337 120.200 -0.155 0.000 2.106 483 E HA -0.180 4.169 4.350 -0.001 0.000 0.192 483 E C 1.584 178.088 176.600 -0.160 0.000 0.984 483 E CA 1.025 57.349 56.400 -0.127 0.000 0.806 483 E CB -0.127 29.529 29.700 -0.072 0.000 0.750 483 E HN 0.635 nan 8.360 nan 0.000 0.458 484 D N -0.100 120.183 120.400 -0.196 0.000 2.178 484 D HA -0.111 4.529 4.640 -0.001 0.000 0.202 484 D C 1.766 177.871 176.300 -0.325 0.000 0.974 484 D CA 0.560 54.433 54.000 -0.211 0.000 0.841 484 D CB 0.279 40.981 40.800 -0.164 0.000 0.953 484 D HN -0.055 nan 8.370 nan 0.000 0.478 485 V N 0.581 120.195 119.914 -0.500 0.000 2.255 485 V HA -0.154 3.966 4.120 -0.001 0.000 0.243 485 V C 1.867 177.794 176.094 -0.278 0.000 1.038 485 V CA 1.732 63.730 62.300 -0.504 0.000 1.008 485 V CB -0.493 30.932 31.823 -0.663 0.000 0.645 485 V HN 0.178 nan 8.190 nan 0.000 0.449 486 D N -0.013 120.249 120.400 -0.230 0.000 2.271 486 D HA -0.174 4.465 4.640 -0.001 0.000 0.207 486 D C 1.980 178.216 176.300 -0.107 0.000 0.983 486 D CA 1.198 55.113 54.000 -0.142 0.000 0.878 486 D CB -0.031 40.699 40.800 -0.116 0.000 0.920 486 D HN 0.413 nan 8.370 nan 0.000 0.479 487 L N 0.497 121.649 121.223 -0.119 0.000 2.007 487 L HA -0.121 4.218 4.340 -0.001 0.000 0.205 487 L C 2.334 179.165 176.870 -0.065 0.000 1.073 487 L CA 1.159 55.951 54.840 -0.080 0.000 0.744 487 L CB 0.011 42.022 42.059 -0.080 0.000 0.898 487 L HN -0.185 nan 8.230 nan 0.000 0.435 488 R N -0.827 119.621 120.500 -0.087 0.000 2.152 488 R HA -0.105 4.234 4.340 -0.001 0.000 0.232 488 R C 1.997 178.274 176.300 -0.038 0.000 1.117 488 R CA 1.245 57.310 56.100 -0.059 0.000 0.981 488 R CB -0.356 29.896 30.300 -0.080 0.000 0.870 488 R HN 0.306 nan 8.270 nan 0.000 0.451 489 V N 0.841 120.721 119.914 -0.057 0.000 2.407 489 V HA -0.179 3.940 4.120 -0.001 0.000 0.245 489 V C 1.429 177.522 176.094 -0.001 0.000 1.041 489 V CA 1.787 64.069 62.300 -0.031 0.000 1.040 489 V CB -0.449 31.340 31.823 -0.057 0.000 0.671 489 V HN 0.403 nan 8.190 nan 0.000 0.455 490 N N 0.139 118.832 118.700 -0.012 0.000 2.309 490 N HA -0.145 4.594 4.740 -0.001 0.000 0.182 490 N C 1.737 177.263 175.510 0.027 0.000 1.018 490 N CA 0.881 53.935 53.050 0.008 0.000 0.876 490 N CB -0.113 38.369 38.487 -0.008 0.000 0.972 490 N HN 0.336 nan 8.380 nan 0.000 0.434 491 L N 1.306 122.541 121.223 0.020 0.000 2.046 491 L HA -0.012 4.327 4.340 -0.001 0.000 0.208 491 L C 2.137 179.041 176.870 0.058 0.000 1.077 491 L CA 1.416 56.275 54.840 0.031 0.000 0.747 491 L CB -0.779 41.294 42.059 0.023 0.000 0.896 491 L HN 0.056 nan 8.230 nan 0.000 0.432 492 A N -0.722 122.142 122.820 0.074 0.000 1.930 492 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 492 A C 2.218 179.913 177.584 0.185 0.000 1.175 492 A CA 1.892 54.004 52.037 0.124 0.000 0.627 492 A CB -0.511 18.563 19.000 0.123 0.000 0.815 492 A HN 0.492 nan 8.150 nan 0.000 0.443 493 M N -0.054 119.648 119.600 0.172 0.000 2.117 493 M HA -0.162 4.317 4.480 -0.001 0.000 0.262 493 M C 1.738 178.163 176.300 0.207 0.000 1.065 493 M CA 1.568 57.025 55.300 0.261 0.000 1.114 493 M CB -1.540 31.139 32.600 0.131 0.000 1.361 493 M HN 0.573 nan 8.290 nan 0.000 0.408 494 N N -0.339 118.413 118.700 0.086 0.000 2.171 494 N HA -0.096 4.644 4.740 -0.001 0.000 0.184 494 N C 1.773 177.249 175.510 -0.057 0.000 1.021 494 N CA 0.714 53.775 53.050 0.018 0.000 0.854 494 N CB 0.117 38.613 38.487 0.015 0.000 0.994 494 N HN 0.043 nan 8.380 nan 0.000 0.426 495 V N 0.984 120.872 119.914 -0.043 0.000 2.332 495 V HA -0.185 3.935 4.120 -0.001 0.000 0.248 495 V C 2.390 178.263 176.094 -0.369 0.000 1.055 495 V CA 2.100 64.330 62.300 -0.117 0.000 1.038 495 V CB -1.072 30.756 31.823 0.008 0.000 0.651 495 V HN 0.434 nan 8.190 nan 0.000 0.450 496 G N -0.466 108.101 108.800 -0.389 0.000 2.421 496 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.216 496 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.216 496 G C 1.662 175.949 174.900 -1.021 0.000 1.171 496 G CA 0.835 45.356 45.100 -0.966 0.000 0.775 496 G HN 0.470 nan 8.290 nan 0.000 0.543 497 K N 0.541 120.617 120.400 -0.540 0.000 2.097 497 K HA 0.062 4.381 4.320 -0.001 0.000 0.206 497 K C 2.928 179.355 176.600 -0.287 0.000 1.049 497 K CA 0.956 57.067 56.287 -0.294 0.000 0.933 497 K CB -0.186 32.277 32.500 -0.062 0.000 0.717 497 K HN 0.275 nan 8.250 nan 0.000 0.442 498 A N 1.258 123.906 122.820 -0.287 0.000 1.873 498 A HA -0.128 4.192 4.320 -0.001 0.000 0.215 498 A C 1.942 179.328 177.584 -0.329 0.000 1.186 498 A CA 1.306 53.201 52.037 -0.236 0.000 0.616 498 A CB -0.273 18.623 19.000 -0.173 0.000 0.823 498 A HN 0.091 nan 8.150 nan 0.000 0.442 499 R N -0.805 119.347 120.500 -0.581 0.000 2.328 499 R HA 0.188 4.527 4.340 -0.001 0.000 0.200 499 R C 1.187 177.103 176.300 -0.641 0.000 0.983 499 R CA 0.768 56.404 56.100 -0.773 0.000 1.062 499 R CB -0.607 28.760 30.300 -1.555 0.000 0.956 499 R HN 0.765 nan 8.270 nan 0.000 0.479 500 G N -0.305 108.230 108.800 -0.442 0.000 2.225 500 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.267 500 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.267 500 G C 0.479 175.341 174.900 -0.064 0.000 1.024 500 G CA 0.296 45.275 45.100 -0.202 0.000 0.784 500 G HN 0.290 nan 8.290 nan 0.000 0.507 501 F N -0.431 119.279 119.950 -0.400 0.000 2.367 501 F HA 0.361 4.888 4.527 -0.001 0.000 0.298 501 F C 1.328 177.015 175.800 -0.188 0.000 1.094 501 F CA 0.548 58.327 58.000 -0.368 0.000 1.409 501 F CB -0.490 38.163 39.000 -0.579 0.000 1.064 501 F HN 0.444 nan 8.300 nan 0.000 0.528 502 F N -1.542 118.481 119.950 0.123 0.000 2.725 502 F HA 0.511 5.037 4.527 -0.001 0.000 0.309 502 F C -0.975 174.836 175.800 0.019 0.000 1.132 502 F CA -2.406 55.630 58.000 0.059 0.000 0.957 502 F CB 0.654 39.687 39.000 0.056 0.000 1.286 502 F HN -0.196 nan 8.300 nan 0.000 0.440 503 K N 0.531 121.105 120.400 0.291 0.000 2.258 503 K HA 0.492 4.812 4.320 -0.001 0.000 0.236 503 K C -0.801 175.891 176.600 0.153 0.000 1.008 503 K CA -1.285 55.106 56.287 0.174 0.000 0.869 503 K CB 1.785 34.339 32.500 0.091 0.000 1.171 503 K HN 0.680 nan 8.250 nan 0.000 0.447 504 K N 0.460 120.918 120.400 0.097 0.000 2.466 504 K HA -0.064 4.256 4.320 -0.001 0.000 0.278 504 K C 0.415 177.035 176.600 0.034 0.000 1.048 504 K CA 1.716 58.038 56.287 0.058 0.000 1.088 504 K CB -0.330 32.193 32.500 0.038 0.000 0.884 504 K HN 0.957 nan 8.250 nan 0.000 0.478 505 G N 3.655 112.461 108.800 0.010 0.000 2.238 505 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.217 505 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.217 505 G C -0.045 174.845 174.900 -0.017 0.000 0.996 505 G CA -0.014 45.084 45.100 -0.004 0.000 0.632 505 G HN 0.669 nan 8.290 nan 0.000 0.503 506 D N 0.020 120.410 120.400 -0.017 0.000 2.384 506 D HA 0.509 5.148 4.640 -0.001 0.000 0.244 506 D C 0.642 176.877 176.300 -0.108 0.000 1.251 506 D CA 0.209 54.187 54.000 -0.037 0.000 0.961 506 D CB 1.426 42.231 40.800 0.009 0.000 1.116 506 D HN 0.240 nan 8.370 nan 0.000 0.484 507 V N 0.494 120.341 119.914 -0.113 0.000 2.555 507 V HA 0.538 4.658 4.120 -0.001 0.000 0.302 507 V C 0.106 176.088 176.094 -0.187 0.000 1.038 507 V CA -0.732 61.488 62.300 -0.133 0.000 0.887 507 V CB 1.668 33.443 31.823 -0.080 0.000 0.991 507 V HN 0.428 nan 8.190 nan 0.000 0.434 508 V N 2.985 122.771 119.914 -0.213 0.000 3.049 508 V HA 0.741 4.860 4.120 -0.001 0.000 0.309 508 V C -0.607 175.409 176.094 -0.130 0.000 1.148 508 V CA -0.934 61.239 62.300 -0.211 0.000 0.990 508 V CB 2.051 33.655 31.823 -0.365 0.000 1.039 508 V HN 0.918 nan 8.190 nan 0.000 0.430 509 I N 1.414 121.929 120.570 -0.091 0.000 2.392 509 I HA 0.872 5.041 4.170 -0.001 0.000 0.295 509 I C -0.901 175.193 176.117 -0.039 0.000 0.985 509 I CA -0.772 60.492 61.300 -0.060 0.000 1.221 509 I CB 1.877 39.845 38.000 -0.054 0.000 1.366 509 I HN 0.456 nan 8.210 nan 0.000 0.467 510 V N 7.236 127.135 119.914 -0.025 0.000 2.417 510 V HA 0.421 4.540 4.120 -0.001 0.000 0.291 510 V C 0.001 176.104 176.094 0.016 0.000 1.024 510 V CA -0.515 61.780 62.300 -0.008 0.000 0.861 510 V CB 1.609 33.421 31.823 -0.018 0.000 0.985 510 V HN 0.616 nan 8.190 nan 0.000 0.436 511 L N 5.798 127.037 121.223 0.028 0.000 2.295 511 L HA 0.642 4.981 4.340 -0.001 0.000 0.281 511 L C 0.371 177.273 176.870 0.054 0.000 1.018 511 L CA -0.004 54.866 54.840 0.051 0.000 0.841 511 L CB 1.680 43.776 42.059 0.061 0.000 1.218 511 L HN 0.900 nan 8.230 nan 0.000 0.424 512 T N -0.455 114.140 114.554 0.069 0.000 2.858 512 T HA 0.713 5.063 4.350 -0.001 0.000 0.285 512 T C 0.020 174.804 174.700 0.139 0.000 1.052 512 T CA -0.736 61.410 62.100 0.076 0.000 1.009 512 T CB 1.916 70.795 68.868 0.018 0.000 1.241 512 T HN 0.448 nan 8.240 nan 0.000 0.542 513 G N -0.484 108.458 108.800 0.236 0.000 2.332 513 G HA2 0.385 4.344 3.960 -0.001 0.000 0.310 513 G HA3 0.385 4.344 3.960 -0.001 0.000 0.310 513 G C 0.419 175.589 174.900 0.450 0.000 1.123 513 G CA -0.903 44.366 45.100 0.282 0.000 0.873 513 G HN 0.811 nan 8.290 nan 0.000 0.460 514 W N 3.684 125.043 121.300 0.098 0.000 2.332 514 W HA -0.066 4.594 4.660 -0.001 0.000 0.321 514 W C 1.133 177.787 176.519 0.224 0.000 1.219 514 W CA 1.209 58.632 57.345 0.129 0.000 1.277 514 W CB 0.327 29.786 29.460 -0.001 0.000 1.161 514 W HN 0.560 nan 8.180 nan 0.000 0.476 515 R N 0.188 120.665 120.500 -0.038 0.000 2.832 515 R HA 0.292 4.632 4.340 -0.001 0.000 0.271 515 R C -1.770 173.803 176.300 -1.211 0.000 0.996 515 R CA -1.364 54.369 56.100 -0.611 0.000 0.977 515 R CB 0.940 31.048 30.300 -0.320 0.000 1.168 515 R HN -0.210 nan 8.270 nan 0.000 0.482 516 P HA -0.150 nan 4.420 nan 0.000 0.219 516 P C 1.020 177.865 177.300 -0.758 0.000 1.146 516 P CA 1.774 63.774 63.100 -1.833 0.000 0.808 516 P CB -0.047 30.970 31.700 -1.137 0.000 0.779 517 G N -0.526 107.972 108.800 -0.502 0.000 2.712 517 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.212 517 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.212 517 G C 0.555 175.345 174.900 -0.183 0.000 1.142 517 G CA -0.052 44.891 45.100 -0.262 0.000 0.789 517 G HN 0.212 nan 8.290 nan 0.000 0.535 518 S N 0.296 115.869 115.700 -0.212 0.000 2.558 518 S HA 0.277 4.746 4.470 -0.001 0.000 0.293 518 S C 1.617 176.149 174.600 -0.112 0.000 1.292 518 S CA 0.202 58.300 58.200 -0.171 0.000 1.063 518 S CB 1.382 64.459 63.200 -0.205 0.000 0.831 518 S HN 0.325 nan 8.310 nan 0.000 0.499 519 G N 1.623 110.403 108.800 -0.033 0.000 2.920 519 G HA2 0.366 4.326 3.960 -0.001 0.000 0.208 519 G HA3 0.366 4.326 3.960 -0.001 0.000 0.208 519 G C 0.048 175.120 174.900 0.286 0.000 1.159 519 G CA 0.134 45.316 45.100 0.136 0.000 0.784 519 G HN 0.676 nan 8.290 nan 0.000 0.535 520 F N -3.556 116.417 119.950 0.038 0.000 3.332 520 F HA 0.477 5.003 4.527 -0.001 0.000 0.327 520 F C -0.711 175.132 175.800 0.073 0.000 1.128 520 F CA -1.400 56.625 58.000 0.042 0.000 0.854 520 F CB 0.529 39.547 39.000 0.029 0.000 1.500 520 F HN -0.314 nan 8.300 nan 0.000 0.485 521 T N 2.060 116.745 114.554 0.218 0.000 2.863 521 T HA 0.224 4.573 4.350 -0.001 0.000 0.299 521 T C 0.338 175.092 174.700 0.090 0.000 0.973 521 T CA 0.013 62.176 62.100 0.106 0.000 0.994 521 T CB -0.763 68.205 68.868 0.166 0.000 0.961 521 T HN 0.645 nan 8.240 nan 0.000 0.552 522 N N 1.001 119.548 118.700 -0.254 0.000 2.214 522 N HA 0.070 4.810 4.740 -0.001 0.000 0.214 522 N C -0.257 175.256 175.510 0.005 0.000 1.132 522 N CA -0.490 52.472 53.050 -0.147 0.000 0.856 522 N CB 0.606 38.803 38.487 -0.484 0.000 1.020 522 N HN 0.251 nan 8.380 nan 0.000 0.509 523 T N 1.125 115.719 114.554 0.067 0.000 2.840 523 T HA 0.533 4.882 4.350 -0.001 0.000 0.287 523 T C -0.531 174.226 174.700 0.095 0.000 0.991 523 T CA -0.749 61.419 62.100 0.113 0.000 0.964 523 T CB 1.418 70.450 68.868 0.273 0.000 0.954 523 T HN 0.346 nan 8.240 nan 0.000 0.438 524 M N 2.265 121.905 119.600 0.066 0.000 2.591 524 M HA 0.846 5.325 4.480 -0.001 0.000 0.306 524 M C -1.063 175.258 176.300 0.035 0.000 1.190 524 M CA -0.536 54.791 55.300 0.046 0.000 0.889 524 M CB 2.274 34.893 32.600 0.031 0.000 1.728 524 M HN 0.362 nan 8.290 nan 0.000 0.458 525 R N 1.196 121.708 120.500 0.019 0.000 2.668 525 R HA 0.756 5.095 4.340 -0.001 0.000 0.272 525 R C -1.791 174.500 176.300 -0.015 0.000 1.019 525 R CA -1.063 55.043 56.100 0.010 0.000 0.894 525 R CB 2.806 33.119 30.300 0.021 0.000 1.228 525 R HN 0.652 nan 8.270 nan 0.000 0.460 526 V N 3.081 122.982 119.914 -0.021 0.000 2.370 526 V HA 0.475 4.594 4.120 -0.001 0.000 0.279 526 V C -0.445 175.625 176.094 -0.041 0.000 1.029 526 V CA -0.423 61.854 62.300 -0.038 0.000 0.870 526 V CB 1.574 33.376 31.823 -0.035 0.000 0.984 526 V HN 0.426 nan 8.190 nan 0.000 0.451 527 V N 6.720 126.597 119.914 -0.062 0.000 2.925 527 V HA 0.480 4.599 4.120 -0.001 0.000 0.311 527 V C -2.664 173.374 176.094 -0.094 0.000 1.104 527 V CA -2.047 60.213 62.300 -0.066 0.000 0.954 527 V CB 2.547 34.332 31.823 -0.064 0.000 1.022 527 V HN 0.669 nan 8.190 nan 0.000 0.427 528 P HA 0.207 nan 4.420 nan 0.000 0.279 528 P C 0.684 177.922 177.300 -0.103 0.000 1.239 528 P CA -0.017 63.033 63.100 -0.083 0.000 0.789 528 P CB 1.461 33.131 31.700 -0.050 0.000 0.933 529 V N 4.215 124.044 119.914 -0.141 0.000 2.358 529 V HA 0.004 4.123 4.120 -0.001 0.000 0.246 529 V C -1.460 174.614 176.094 -0.034 0.000 1.047 529 V CA 1.090 63.304 62.300 -0.143 0.000 1.035 529 V CB -1.938 29.738 31.823 -0.244 0.000 0.658 529 V HN 0.555 nan 8.190 nan 0.000 0.452 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.104 63.100 0.007 0.000 0.800 530 P CB 0.000 31.697 31.700 -0.004 0.000 0.726