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 1a5u_1_B DATA FIRST_RESID 612 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 KLFEELARSS SHSTDLMEAM 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 612 I HA 0.000 nan 4.170 nan 0.000 0.288 612 I C 0.000 176.105 176.117 -0.021 0.000 1.063 612 I CA 0.000 61.276 61.300 -0.039 0.000 1.566 612 I CB 0.000 37.980 38.000 -0.033 0.000 1.214 613 Q N 2.332 122.122 119.800 -0.016 0.000 2.614 613 Q HA 0.341 4.681 4.340 -0.000 0.000 0.244 613 Q C 0.555 176.561 176.000 0.010 0.000 1.097 613 Q CA 0.544 56.351 55.803 0.007 0.000 0.986 613 Q CB 0.712 29.470 28.738 0.033 0.000 1.308 613 Q HN 0.707 nan 8.270 nan 0.000 0.546 614 T N -2.108 112.455 114.554 0.015 0.000 2.948 614 T HA 0.197 4.547 4.350 -0.000 0.000 0.285 614 T C -0.248 174.462 174.700 0.016 0.000 1.019 614 T CA -0.754 61.354 62.100 0.013 0.000 1.013 614 T CB 1.450 70.326 68.868 0.014 0.000 1.117 614 T HN 0.750 nan 8.240 nan 0.000 0.533 615 Q N 1.030 120.839 119.800 0.015 0.000 2.416 615 Q HA -0.345 3.995 4.340 -0.000 0.000 0.319 615 Q C -0.251 175.764 176.000 0.025 0.000 1.318 615 Q CA 0.940 56.754 55.803 0.018 0.000 0.915 615 Q CB -1.676 27.069 28.738 0.012 0.000 1.184 615 Q HN 0.798 nan 8.270 nan 0.000 0.444 616 Q N -1.880 117.934 119.800 0.022 0.000 2.436 616 Q HA -0.236 4.104 4.340 -0.000 0.000 0.264 616 Q C 0.911 176.925 176.000 0.024 0.000 1.093 616 Q CA 1.627 57.439 55.803 0.015 0.000 0.994 616 Q CB -2.165 26.582 28.738 0.015 0.000 1.434 616 Q HN 0.791 nan 8.270 nan 0.000 0.520 617 L N -0.867 120.376 121.223 0.032 0.000 2.127 617 L HA -0.206 4.134 4.340 -0.000 0.000 0.211 617 L C 2.492 179.390 176.870 0.047 0.000 1.089 617 L CA 1.801 56.660 54.840 0.032 0.000 0.757 617 L CB -0.540 41.537 42.059 0.030 0.000 0.899 617 L HN 0.493 nan 8.230 nan 0.000 0.434 618 H N 0.269 119.323 119.070 -0.027 0.000 2.321 618 H HA -0.163 4.393 4.556 -0.000 0.000 0.300 618 H C 2.125 177.422 175.328 -0.051 0.000 1.087 618 H CA 1.531 57.557 56.048 -0.037 0.000 1.319 618 H CB 0.416 30.149 29.762 -0.048 0.000 1.379 618 H HN 0.347 nan 8.280 nan 0.000 0.501 619 A N 0.954 123.633 122.820 -0.236 0.000 2.014 619 A HA 0.058 4.378 4.320 -0.000 0.000 0.218 619 A C 2.595 180.117 177.584 -0.104 0.000 1.163 619 A CA 1.062 52.889 52.037 -0.350 0.000 0.652 619 A CB -0.752 17.890 19.000 -0.596 0.000 0.808 619 A HN 0.560 nan 8.150 nan 0.000 0.449 620 A N -0.350 122.483 122.820 0.022 0.000 2.084 620 A HA -0.142 4.178 4.320 -0.000 0.000 0.221 620 A C 1.856 179.519 177.584 0.131 0.000 1.161 620 A CA 1.803 53.929 52.037 0.149 0.000 0.653 620 A CB -0.470 18.569 19.000 0.065 0.000 0.802 620 A HN 0.479 nan 8.150 nan 0.000 0.457 621 M N -0.457 119.144 119.600 0.001 0.000 2.494 621 M HA 0.308 4.788 4.480 -0.000 0.000 0.232 621 M C 0.869 177.175 176.300 0.010 0.000 1.137 621 M CA 0.039 55.342 55.300 0.004 0.000 1.012 621 M CB -1.387 31.194 32.600 -0.031 0.000 1.567 621 M HN 0.340 nan 8.290 nan 0.000 0.486 622 A N 1.156 123.976 122.820 -0.000 0.000 2.386 622 A HA 0.148 4.468 4.320 -0.000 0.000 0.248 622 A C 0.832 178.560 177.584 0.240 0.000 1.082 622 A CA -0.086 51.950 52.037 -0.001 0.000 0.789 622 A CB 0.524 19.409 19.000 -0.192 0.000 1.025 622 A HN 0.312 nan 8.150 nan 0.000 0.490 623 D N -0.499 120.006 120.400 0.175 0.000 2.216 623 D HA 0.029 4.669 4.640 -0.000 0.000 0.208 623 D C 0.932 177.405 176.300 0.287 0.000 0.960 623 D CA 1.901 56.025 54.000 0.207 0.000 0.861 623 D CB 0.217 41.081 40.800 0.108 0.000 0.985 623 D HN 0.759 nan 8.370 nan 0.000 0.493 624 T N -2.880 111.833 114.554 0.266 0.000 2.926 624 T HA 0.227 4.577 4.350 -0.000 0.000 0.289 624 T C 0.755 175.699 174.700 0.407 0.000 1.054 624 T CA -0.827 61.460 62.100 0.313 0.000 1.015 624 T CB 1.586 70.557 68.868 0.172 0.000 1.167 624 T HN -0.194 nan 8.240 nan 0.000 0.526 625 F N 1.002 121.121 119.950 0.280 0.000 2.102 625 F HA 0.038 4.565 4.527 -0.000 0.000 0.298 625 F C 1.879 177.721 175.800 0.070 0.000 1.105 625 F CA 1.087 59.217 58.000 0.217 0.000 1.239 625 F CB -0.913 38.208 39.000 0.202 0.000 0.991 625 F HN 0.543 nan 8.300 nan 0.000 0.474 626 L N 0.872 122.000 121.223 -0.159 0.000 1.971 626 L HA -0.235 4.105 4.340 -0.000 0.000 0.215 626 L C 2.353 179.086 176.870 -0.228 0.000 1.072 626 L CA 2.445 57.130 54.840 -0.259 0.000 0.758 626 L CB -1.316 40.691 42.059 -0.086 0.000 0.889 626 L HN 0.174 nan 8.230 nan 0.000 0.433 627 E N -0.994 119.135 120.200 -0.117 0.000 2.085 627 E HA -0.312 4.038 4.350 -0.000 0.000 0.194 627 E C 2.235 178.705 176.600 -0.217 0.000 0.994 627 E CA 1.745 58.068 56.400 -0.128 0.000 0.801 627 E CB -0.379 29.280 29.700 -0.069 0.000 0.743 627 E HN 0.751 nan 8.360 nan 0.000 0.453 628 H N -0.649 118.187 119.070 -0.391 0.000 2.321 628 H HA -0.152 4.404 4.556 -0.000 0.000 0.295 628 H C 2.039 177.142 175.328 -0.375 0.000 1.102 628 H CA 2.563 58.289 56.048 -0.537 0.000 1.266 628 H CB -0.153 29.054 29.762 -0.926 0.000 1.363 628 H HN 0.180 nan 8.280 nan 0.000 0.492 629 M N -0.938 118.414 119.600 -0.415 0.000 2.059 629 M HA -0.211 4.269 4.480 -0.000 0.000 0.259 629 M C 2.579 178.708 176.300 -0.285 0.000 1.072 629 M CA 1.713 56.788 55.300 -0.375 0.000 1.117 629 M CB -0.299 32.040 32.600 -0.434 0.000 1.320 629 M HN 0.413 nan 8.290 nan 0.000 0.408 630 C N -0.096 119.058 119.300 -0.243 0.000 2.401 630 C HA -0.142 4.318 4.460 -0.000 0.000 0.286 630 C C 2.495 177.398 174.990 -0.145 0.000 1.332 630 C CA 0.893 59.813 59.018 -0.163 0.000 1.795 630 C CB -1.465 26.200 27.740 -0.126 0.000 1.922 630 C HN 0.441 nan 8.230 nan 0.000 0.520 631 R N -0.125 120.249 120.500 -0.209 0.000 2.300 631 R HA 0.194 4.534 4.340 -0.000 0.000 0.199 631 R C 0.174 176.380 176.300 -0.156 0.000 0.920 631 R CA -0.096 55.910 56.100 -0.158 0.000 1.046 631 R CB -0.034 30.117 30.300 -0.248 0.000 0.984 631 R HN 0.512 nan 8.270 nan 0.000 0.493 632 L N 1.665 122.758 121.223 -0.217 0.000 2.540 632 L HA -0.003 4.337 4.340 -0.000 0.000 0.276 632 L C -0.008 176.809 176.870 -0.087 0.000 1.212 632 L CA 0.356 55.096 54.840 -0.167 0.000 0.893 632 L CB 0.068 42.029 42.059 -0.162 0.000 1.138 632 L HN -0.095 nan 8.230 nan 0.000 0.491 633 D N 2.816 123.180 120.400 -0.061 0.000 2.549 633 D HA 0.244 4.884 4.640 -0.000 0.000 0.251 633 D C 0.737 177.019 176.300 -0.030 0.000 1.153 633 D CA -0.625 53.352 54.000 -0.038 0.000 0.861 633 D CB 1.374 42.160 40.800 -0.023 0.000 1.207 633 D HN 0.459 nan 8.370 nan 0.000 0.543 634 I N 0.248 120.801 120.570 -0.029 0.000 2.567 634 I HA -0.058 4.112 4.170 -0.000 0.000 0.257 634 I C 0.630 176.735 176.117 -0.019 0.000 1.184 634 I CA 1.050 62.337 61.300 -0.023 0.000 1.451 634 I CB 0.141 38.127 38.000 -0.023 0.000 1.089 634 I HN 0.116 nan 8.210 nan 0.000 0.441 635 D N 0.866 121.254 120.400 -0.020 0.000 2.339 635 D HA 0.041 4.681 4.640 -0.000 0.000 0.217 635 D C 0.755 177.047 176.300 -0.014 0.000 1.050 635 D CA 0.385 54.374 54.000 -0.017 0.000 0.856 635 D CB 0.401 41.189 40.800 -0.021 0.000 0.922 635 D HN 0.280 nan 8.370 nan 0.000 0.518 636 S N 0.955 116.648 115.700 -0.013 0.000 2.411 636 S HA 0.433 4.902 4.470 -0.000 0.000 0.304 636 S C 0.111 174.710 174.600 -0.002 0.000 1.098 636 S CA -0.702 57.495 58.200 -0.006 0.000 1.068 636 S CB 0.143 63.342 63.200 -0.002 0.000 1.032 636 S HN 0.180 nan 8.310 nan 0.000 0.511 637 A N 7.099 129.919 122.820 0.000 0.000 2.445 637 A HA 0.587 4.907 4.320 -0.000 0.000 0.242 637 A C -2.353 175.234 177.584 0.006 0.000 1.075 637 A CA -0.987 51.052 52.037 0.002 0.000 0.777 637 A CB -0.014 18.989 19.000 0.005 0.000 1.013 637 A HN 0.653 nan 8.150 nan 0.000 0.493 638 P HA 0.502 nan 4.420 nan 0.000 0.289 638 P C -0.111 177.191 177.300 0.003 0.000 1.293 638 P CA -0.691 62.411 63.100 0.004 0.000 0.897 638 P CB 0.952 32.650 31.700 -0.003 0.000 1.166 639 I N -1.297 119.272 120.570 -0.001 0.000 3.060 639 I HA 0.127 4.297 4.170 -0.000 0.000 0.285 639 I C 1.247 177.361 176.117 -0.005 0.000 1.190 639 I CA -0.139 61.157 61.300 -0.007 0.000 1.363 639 I CB -0.136 37.844 38.000 -0.034 0.000 1.396 639 I HN 0.348 nan 8.210 nan 0.000 0.607 640 T N 1.546 116.110 114.554 0.017 0.000 2.777 640 T HA 0.023 4.373 4.350 -0.000 0.000 0.266 640 T C 1.085 175.819 174.700 0.056 0.000 1.040 640 T CA 0.619 62.763 62.100 0.073 0.000 1.141 640 T CB -0.566 68.395 68.868 0.155 0.000 0.868 640 T HN 0.823 nan 8.240 nan 0.000 0.444 641 A N 2.496 125.219 122.820 -0.161 0.000 2.484 641 A HA 0.390 4.710 4.320 -0.000 0.000 0.268 641 A C 0.569 178.162 177.584 0.016 0.000 1.114 641 A CA -0.461 51.381 52.037 -0.324 0.000 0.780 641 A CB -0.124 18.221 19.000 -1.091 0.000 1.061 641 A HN 0.371 nan 8.150 nan 0.000 0.505 642 R N 3.275 123.932 120.500 0.261 0.000 2.207 642 R HA 0.173 4.513 4.340 -0.000 0.000 0.334 642 R C -0.023 176.474 176.300 0.327 0.000 1.013 642 R CA -0.163 56.088 56.100 0.252 0.000 0.858 642 R CB 0.257 30.751 30.300 0.322 0.000 1.094 642 R HN 0.945 nan 8.270 nan 0.000 0.457 643 N N 0.872 119.726 118.700 0.257 0.000 2.333 643 N HA -0.045 4.695 4.740 -0.000 0.000 0.178 643 N C -0.311 175.241 175.510 0.069 0.000 1.018 643 N CA 0.689 53.876 53.050 0.229 0.000 0.882 643 N CB 0.265 38.900 38.487 0.246 0.000 0.984 643 N HN 0.461 nan 8.380 nan 0.000 0.434 644 T N 0.985 115.580 114.554 0.068 0.000 2.752 644 T HA 0.219 4.568 4.350 -0.000 0.000 0.295 644 T C 0.629 175.331 174.700 0.003 0.000 0.923 644 T CA -0.528 61.592 62.100 0.033 0.000 1.112 644 T CB 1.089 69.978 68.868 0.036 0.000 0.884 644 T HN 0.131 nan 8.240 nan 0.000 0.525 645 G N 2.867 111.657 108.800 -0.018 0.000 2.398 645 G HA2 0.433 4.393 3.960 -0.000 0.000 0.246 645 G HA3 0.433 4.393 3.960 -0.000 0.000 0.246 645 G C -0.236 174.640 174.900 -0.041 0.000 1.289 645 G CA -0.588 44.483 45.100 -0.048 0.000 0.869 645 G HN 0.796 nan 8.290 nan 0.000 0.543 646 I N 2.644 123.173 120.570 -0.068 0.000 2.328 646 I HA 0.230 4.400 4.170 -0.000 0.000 0.287 646 I C -0.087 176.008 176.117 -0.037 0.000 1.012 646 I CA -0.344 60.932 61.300 -0.039 0.000 1.195 646 I CB 1.241 39.222 38.000 -0.032 0.000 1.350 646 I HN 0.241 nan 8.210 nan 0.000 0.464 647 I N 6.232 126.806 120.570 0.007 0.000 2.297 647 I HA 0.229 4.399 4.170 -0.000 0.000 0.291 647 I C -0.435 175.718 176.117 0.060 0.000 1.033 647 I CA -0.253 61.079 61.300 0.053 0.000 1.253 647 I CB 0.747 38.821 38.000 0.123 0.000 1.396 647 I HN 0.526 nan 8.210 nan 0.000 0.476 648 C N 4.409 123.737 119.300 0.047 0.000 2.264 648 C HA 0.303 4.763 4.460 -0.000 0.000 0.324 648 C C 0.855 175.883 174.990 0.064 0.000 1.267 648 C CA -0.662 58.386 59.018 0.049 0.000 1.618 648 C CB 0.355 28.112 27.740 0.027 0.000 2.278 648 C HN 0.658 nan 8.230 nan 0.000 0.499 649 T N 5.727 120.328 114.554 0.078 0.000 2.784 649 T HA 0.160 4.510 4.350 -0.000 0.000 0.291 649 T C 0.539 175.283 174.700 0.074 0.000 0.942 649 T CA 0.086 62.236 62.100 0.085 0.000 1.161 649 T CB -0.248 68.679 68.868 0.098 0.000 0.885 649 T HN 0.346 nan 8.240 nan 0.000 0.534 650 I N 3.235 123.846 120.570 0.068 0.000 2.581 650 I HA 0.637 4.807 4.170 -0.000 0.000 0.288 650 I C 1.051 177.215 176.117 0.079 0.000 1.047 650 I CA -0.281 61.053 61.300 0.057 0.000 1.374 650 I CB 0.539 38.559 38.000 0.035 0.000 1.423 650 I HN 0.801 nan 8.210 nan 0.000 0.549 651 G N 5.427 114.269 108.800 0.069 0.000 2.578 651 G HA2 0.411 4.371 3.960 -0.000 0.000 0.302 651 G HA3 0.411 4.371 3.960 -0.000 0.000 0.302 651 G C -2.615 172.340 174.900 0.093 0.000 1.243 651 G CA -0.297 44.869 45.100 0.110 0.000 0.843 651 G HN 0.262 nan 8.290 nan 0.000 0.486 652 P HA -0.040 nan 4.420 nan 0.000 0.218 652 P C 1.725 179.051 177.300 0.043 0.000 1.146 652 P CA 2.274 65.425 63.100 0.085 0.000 0.813 652 P CB 0.071 31.809 31.700 0.064 0.000 0.778 653 A N -0.311 122.530 122.820 0.036 0.000 1.975 653 A HA -0.042 4.278 4.320 -0.000 0.000 0.215 653 A C 2.122 179.717 177.584 0.018 0.000 1.170 653 A CA 1.760 53.808 52.037 0.017 0.000 0.656 653 A CB -0.885 18.123 19.000 0.013 0.000 0.821 653 A HN 0.329 nan 8.150 nan 0.000 0.449 654 S N -1.279 114.437 115.700 0.026 0.000 2.505 654 S HA 0.139 4.609 4.470 -0.000 0.000 0.216 654 S C 1.626 176.234 174.600 0.014 0.000 1.018 654 S CA 0.007 58.221 58.200 0.022 0.000 0.911 654 S CB -0.130 63.088 63.200 0.029 0.000 0.818 654 S HN 0.507 nan 8.310 nan 0.000 0.497 655 R N 2.662 123.165 120.500 0.004 0.000 2.140 655 R HA -0.109 4.231 4.340 -0.000 0.000 0.250 655 R C 1.229 177.520 176.300 -0.017 0.000 1.150 655 R CA 1.501 57.587 56.100 -0.024 0.000 0.966 655 R CB -0.752 29.521 30.300 -0.044 0.000 0.869 655 R HN 0.630 nan 8.270 nan 0.000 0.445 656 S N -0.118 115.581 115.700 -0.002 0.000 2.573 656 S HA 0.016 4.486 4.470 -0.000 0.000 0.277 656 S C 1.584 176.189 174.600 0.008 0.000 1.346 656 S CA -0.671 57.530 58.200 0.001 0.000 1.034 656 S CB 1.493 64.696 63.200 0.005 0.000 0.879 656 S HN -0.040 nan 8.310 nan 0.000 0.528 657 V N 2.389 122.307 119.914 0.006 0.000 2.255 657 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 657 V C 2.793 178.899 176.094 0.021 0.000 1.051 657 V CA 2.414 64.721 62.300 0.011 0.000 1.018 657 V CB -1.264 30.559 31.823 0.000 0.000 0.641 657 V HN 1.029 nan 8.190 nan 0.000 0.445 658 E N -0.259 119.950 120.200 0.015 0.000 2.070 658 E HA -0.240 4.110 4.350 -0.000 0.000 0.197 658 E C 2.311 178.933 176.600 0.037 0.000 1.004 658 E CA 2.048 58.461 56.400 0.021 0.000 0.805 658 E CB -0.168 29.541 29.700 0.014 0.000 0.744 658 E HN 0.640 nan 8.360 nan 0.000 0.451 659 T N 1.135 115.706 114.554 0.029 0.000 2.777 659 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 659 T C 1.669 176.395 174.700 0.042 0.000 1.040 659 T CA 0.592 62.711 62.100 0.032 0.000 1.141 659 T CB -0.142 68.739 68.868 0.022 0.000 0.868 659 T HN 0.034 nan 8.240 nan 0.000 0.444 660 L N 1.038 122.287 121.223 0.043 0.000 2.131 660 L HA 0.015 4.355 4.340 -0.000 0.000 0.210 660 L C 2.228 179.154 176.870 0.094 0.000 1.092 660 L CA 1.643 56.515 54.840 0.053 0.000 0.759 660 L CB -0.720 41.367 42.059 0.046 0.000 0.903 660 L HN 0.174 nan 8.230 nan 0.000 0.435 661 K N -0.951 119.519 120.400 0.116 0.000 2.057 661 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 661 K C 1.983 178.692 176.600 0.182 0.000 1.050 661 K CA 0.966 57.387 56.287 0.222 0.000 0.935 661 K CB 0.049 32.648 32.500 0.164 0.000 0.715 661 K HN 0.189 nan 8.250 nan 0.000 0.439 662 E N 0.287 120.548 120.200 0.102 0.000 2.072 662 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 662 E C 1.979 178.596 176.600 0.028 0.000 0.985 662 E CA 0.990 57.428 56.400 0.063 0.000 0.801 662 E CB -0.081 29.649 29.700 0.051 0.000 0.750 662 E HN 0.295 nan 8.360 nan 0.000 0.452 663 M N 0.217 119.833 119.600 0.027 0.000 2.108 663 M HA -0.148 4.332 4.480 -0.000 0.000 0.261 663 M C 2.508 178.785 176.300 -0.038 0.000 1.066 663 M CA 1.155 56.456 55.300 0.002 0.000 1.107 663 M CB -0.841 31.766 32.600 0.011 0.000 1.356 663 M HN 0.090 nan 8.290 nan 0.000 0.406 664 I N -0.066 120.481 120.570 -0.038 0.000 2.163 664 I HA -0.311 3.859 4.170 -0.000 0.000 0.240 664 I C 2.451 178.449 176.117 -0.199 0.000 1.081 664 I CA 1.354 62.580 61.300 -0.125 0.000 1.353 664 I CB -0.217 37.711 38.000 -0.119 0.000 1.054 664 I HN 0.281 nan 8.210 nan 0.000 0.407 665 K N 0.085 120.389 120.400 -0.159 0.000 2.103 665 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 665 K C 2.129 178.649 176.600 -0.134 0.000 1.048 665 K CA 1.584 57.775 56.287 -0.160 0.000 0.930 665 K CB -0.083 32.386 32.500 -0.051 0.000 0.716 665 K HN 0.184 nan 8.250 nan 0.000 0.444 666 S N -1.098 114.544 115.700 -0.097 0.000 2.453 666 S HA -0.014 4.456 4.470 -0.000 0.000 0.231 666 S C 1.205 175.708 174.600 -0.163 0.000 1.005 666 S CA 1.060 59.205 58.200 -0.092 0.000 0.949 666 S CB 0.438 63.618 63.200 -0.032 0.000 0.774 666 S HN 0.638 nan 8.310 nan 0.000 0.510 667 G N 0.703 109.395 108.800 -0.181 0.000 2.273 667 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.162 667 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.162 667 G C 0.078 174.883 174.900 -0.158 0.000 1.006 667 G CA -0.186 44.788 45.100 -0.211 0.000 0.704 667 G HN 0.395 nan 8.290 nan 0.000 0.487 668 M N 1.277 120.799 119.600 -0.131 0.000 2.269 668 M HA 0.288 4.768 4.480 -0.000 0.000 0.350 668 M C 0.923 177.104 176.300 -0.199 0.000 1.429 668 M CA 0.977 56.204 55.300 -0.121 0.000 1.063 668 M CB 0.076 32.633 32.600 -0.072 0.000 1.841 668 M HN 0.271 nan 8.290 nan 0.000 0.455 669 N N 2.789 121.331 118.700 -0.262 0.000 2.510 669 N HA 0.168 4.908 4.740 -0.000 0.000 0.186 669 N C -0.895 174.424 175.510 -0.318 0.000 1.051 669 N CA -0.138 52.595 53.050 -0.529 0.000 0.877 669 N CB 0.802 38.748 38.487 -0.902 0.000 1.183 669 N HN 0.433 nan 8.380 nan 0.000 0.443 670 V N 1.012 120.838 119.914 -0.148 0.000 2.487 670 V HA 0.676 4.796 4.120 -0.000 0.000 0.298 670 V C -0.741 175.356 176.094 0.005 0.000 1.028 670 V CA -1.222 61.067 62.300 -0.020 0.000 0.860 670 V CB 1.459 33.324 31.823 0.069 0.000 0.991 670 V HN 0.151 nan 8.190 nan 0.000 0.427 671 A N 5.157 127.982 122.820 0.008 0.000 2.269 671 A HA 0.634 4.954 4.320 -0.000 0.000 0.302 671 A C 0.184 177.767 177.584 -0.002 0.000 1.266 671 A CA -0.421 51.623 52.037 0.012 0.000 0.894 671 A CB 0.198 19.205 19.000 0.013 0.000 1.147 671 A HN 0.841 nan 8.150 nan 0.000 0.537 672 R N 3.348 123.858 120.500 0.017 0.000 2.265 672 R HA 0.496 4.836 4.340 -0.000 0.000 0.319 672 R C -1.266 175.035 176.300 0.001 0.000 1.006 672 R CA -0.640 55.449 56.100 -0.019 0.000 0.880 672 R CB 0.590 30.930 30.300 0.067 0.000 1.077 672 R HN 0.551 nan 8.270 nan 0.000 0.454 673 M N 3.949 123.528 119.600 -0.035 0.000 2.055 673 M HA 0.189 4.669 4.480 -0.000 0.000 0.347 673 M C -0.406 175.880 176.300 -0.022 0.000 1.123 673 M CA -1.324 53.963 55.300 -0.021 0.000 1.035 673 M CB 0.663 33.298 32.600 0.060 0.000 1.484 673 M HN 0.402 nan 8.290 nan 0.000 0.428 674 N N 2.493 121.183 118.700 -0.016 0.000 2.402 674 N HA 0.078 4.818 4.740 -0.000 0.000 0.259 674 N C -0.036 175.424 175.510 -0.084 0.000 1.167 674 N CA 0.147 53.216 53.050 0.032 0.000 0.949 674 N CB 0.017 38.563 38.487 0.098 0.000 1.212 674 N HN 0.424 nan 8.380 nan 0.000 0.493 675 F N 1.247 121.110 119.950 -0.145 0.000 2.771 675 F HA 0.027 4.554 4.527 -0.000 0.000 0.299 675 F C 2.234 178.029 175.800 -0.009 0.000 1.177 675 F CA 0.266 58.205 58.000 -0.103 0.000 1.450 675 F CB 0.008 38.951 39.000 -0.094 0.000 1.114 675 F HN 0.449 nan 8.300 nan 0.000 0.587 676 S N -1.361 114.324 115.700 -0.025 0.000 2.442 676 S HA -0.091 4.379 4.470 -0.000 0.000 0.236 676 S C 0.401 174.688 174.600 -0.521 0.000 1.007 676 S CA 0.875 58.901 58.200 -0.291 0.000 0.965 676 S CB -0.283 62.668 63.200 -0.415 0.000 0.773 676 S HN 0.323 nan 8.310 nan 0.000 0.504 677 H N -1.877 117.258 119.070 0.108 0.000 2.966 677 H HA 0.515 5.071 4.556 -0.000 0.000 0.330 677 H C 0.373 175.732 175.328 0.051 0.000 1.292 677 H CA -0.288 55.788 56.048 0.047 0.000 1.127 677 H CB 0.791 30.549 29.762 -0.006 0.000 1.863 677 H HN 0.269 nan 8.280 nan 0.000 0.543 678 G N 0.652 109.466 108.800 0.023 0.000 2.787 678 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.685 678 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.685 678 G C 0.011 174.869 174.900 -0.071 0.000 1.437 678 G CA -0.200 44.771 45.100 -0.214 0.000 0.872 678 G HN 0.919 nan 8.290 nan 0.000 0.566 679 T N -2.451 112.056 114.554 -0.079 0.000 2.912 679 T HA 0.602 4.952 4.350 -0.000 0.000 0.280 679 T C 1.304 176.080 174.700 0.126 0.000 0.989 679 T CA 0.427 62.533 62.100 0.009 0.000 0.995 679 T CB 1.460 70.310 68.868 -0.031 0.000 1.077 679 T HN 0.690 nan 8.240 nan 0.000 0.531 680 H N -0.093 118.907 119.070 -0.117 0.000 2.387 680 H HA -0.122 4.434 4.556 -0.000 0.000 0.299 680 H C 2.341 177.646 175.328 -0.038 0.000 1.099 680 H CA 1.524 57.345 56.048 -0.378 0.000 1.315 680 H CB 0.279 29.575 29.762 -0.777 0.000 1.380 680 H HN 0.846 nan 8.280 nan 0.000 0.513 681 E N 1.036 121.322 120.200 0.143 0.000 2.110 681 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 681 E C 1.857 178.544 176.600 0.144 0.000 0.988 681 E CA 1.042 57.528 56.400 0.143 0.000 0.804 681 E CB -0.358 29.397 29.700 0.091 0.000 0.745 681 E HN 0.526 nan 8.360 nan 0.000 0.458 682 Y N 1.910 122.180 120.300 -0.050 0.000 2.092 682 Y HA -0.199 4.351 4.550 -0.000 0.000 0.282 682 Y C 2.531 178.369 175.900 -0.104 0.000 1.126 682 Y CA 2.230 60.242 58.100 -0.147 0.000 1.111 682 Y CB -0.809 37.450 38.460 -0.334 0.000 0.987 682 Y HN 0.135 nan 8.280 nan 0.000 0.489 683 H N -0.187 118.883 119.070 -0.000 0.000 2.319 683 H HA -0.190 4.366 4.556 -0.000 0.000 0.297 683 H C 2.321 177.698 175.328 0.083 0.000 1.097 683 H CA 1.545 57.560 56.048 -0.055 0.000 1.285 683 H CB -1.015 28.687 29.762 -0.101 0.000 1.368 683 H HN 0.502 nan 8.280 nan 0.000 0.495 684 A N 0.899 123.939 122.820 0.367 0.000 1.978 684 A HA -0.238 4.082 4.320 -0.000 0.000 0.220 684 A C 2.404 180.057 177.584 0.116 0.000 1.170 684 A CA 1.964 54.182 52.037 0.301 0.000 0.636 684 A CB -0.471 18.757 19.000 0.381 0.000 0.810 684 A HN 0.597 nan 8.150 nan 0.000 0.448 685 E N -0.973 119.248 120.200 0.035 0.000 2.152 685 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 685 E C 1.878 178.429 176.600 -0.082 0.000 0.983 685 E CA 1.396 57.777 56.400 -0.032 0.000 0.818 685 E CB -0.148 29.523 29.700 -0.050 0.000 0.758 685 E HN 0.518 nan 8.360 nan 0.000 0.467 686 T N 1.602 116.063 114.554 -0.154 0.000 2.643 686 T HA -0.126 4.224 4.350 -0.000 0.000 0.264 686 T C 1.873 176.557 174.700 -0.027 0.000 1.045 686 T CA 1.468 63.487 62.100 -0.136 0.000 1.155 686 T CB -0.217 68.542 68.868 -0.183 0.000 0.863 686 T HN 0.200 nan 8.240 nan 0.000 0.420 687 I N 1.051 121.636 120.570 0.025 0.000 2.185 687 I HA -0.259 3.911 4.170 -0.000 0.000 0.246 687 I C 2.708 178.840 176.117 0.025 0.000 1.088 687 I CA 1.475 62.796 61.300 0.036 0.000 1.347 687 I CB -0.582 37.448 38.000 0.050 0.000 1.041 687 I HN 0.269 nan 8.210 nan 0.000 0.415 688 K N 1.507 121.920 120.400 0.021 0.000 1.987 688 K HA -0.235 4.085 4.320 -0.000 0.000 0.216 688 K C 1.777 178.387 176.600 0.016 0.000 1.051 688 K CA 2.375 58.673 56.287 0.019 0.000 0.942 688 K CB -0.306 32.204 32.500 0.015 0.000 0.722 688 K HN 0.464 nan 8.250 nan 0.000 0.444 689 N N -0.095 118.607 118.700 0.004 0.000 2.120 689 N HA -0.155 4.585 4.740 -0.000 0.000 0.188 689 N C 1.848 177.371 175.510 0.021 0.000 1.024 689 N CA 1.124 54.177 53.050 0.005 0.000 0.852 689 N CB -0.023 38.456 38.487 -0.013 0.000 1.003 689 N HN -0.033 nan 8.380 nan 0.000 0.424 690 V N 1.595 121.523 119.914 0.023 0.000 2.287 690 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 690 V C 2.210 178.340 176.094 0.060 0.000 1.053 690 V CA 1.679 64.003 62.300 0.040 0.000 1.027 690 V CB -0.496 31.348 31.823 0.034 0.000 0.646 690 V HN 0.289 nan 8.190 nan 0.000 0.447 691 R N -0.318 120.215 120.500 0.055 0.000 2.096 691 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 691 R C 2.393 178.739 176.300 0.076 0.000 1.127 691 R CA 1.854 57.998 56.100 0.073 0.000 0.968 691 R CB -0.764 29.572 30.300 0.060 0.000 0.861 691 R HN 0.520 nan 8.270 nan 0.000 0.440 692 T N 1.067 115.650 114.554 0.049 0.000 2.708 692 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 692 T C 2.012 176.732 174.700 0.033 0.000 1.037 692 T CA 1.499 63.619 62.100 0.034 0.000 1.146 692 T CB -0.287 68.590 68.868 0.015 0.000 0.865 692 T HN 0.383 nan 8.240 nan 0.000 0.435 693 A N 1.573 124.423 122.820 0.049 0.000 1.877 693 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 693 A C 2.573 180.253 177.584 0.160 0.000 1.186 693 A CA 2.213 54.293 52.037 0.072 0.000 0.620 693 A CB -1.400 17.658 19.000 0.097 0.000 0.822 693 A HN 0.505 nan 8.150 nan 0.000 0.443 694 T N 0.331 115.000 114.554 0.192 0.000 2.635 694 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 694 T C 1.684 176.604 174.700 0.367 0.000 1.040 694 T CA 1.573 63.833 62.100 0.268 0.000 1.156 694 T CB -0.348 68.634 68.868 0.189 0.000 0.863 694 T HN 0.468 nan 8.240 nan 0.000 0.430 695 E N 1.560 121.918 120.200 0.264 0.000 2.265 695 E HA -0.084 4.266 4.350 -0.000 0.000 0.196 695 E C 2.548 179.214 176.600 0.109 0.000 0.996 695 E CA 1.029 57.577 56.400 0.247 0.000 0.832 695 E CB -0.609 29.177 29.700 0.143 0.000 0.756 695 E HN 0.720 nan 8.360 nan 0.000 0.491 696 S N 0.023 115.673 115.700 -0.085 0.000 2.419 696 S HA -0.152 4.318 4.470 -0.000 0.000 0.235 696 S C 1.690 176.021 174.600 -0.448 0.000 1.019 696 S CA 0.932 58.909 58.200 -0.371 0.000 0.982 696 S CB -0.588 62.254 63.200 -0.597 0.000 0.789 696 S HN 0.227 nan 8.310 nan 0.000 0.490 697 F N 1.504 121.536 119.950 0.136 0.000 2.749 697 F HA 0.557 5.084 4.527 -0.000 0.000 0.300 697 F C 2.479 178.440 175.800 0.267 0.000 1.103 697 F CA -0.182 57.908 58.000 0.150 0.000 1.342 697 F CB -0.574 38.469 39.000 0.072 0.000 1.098 697 F HN 0.236 nan 8.300 nan 0.000 0.586 698 A N 0.638 123.750 122.820 0.487 0.000 1.986 698 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 698 A C 2.374 180.013 177.584 0.092 0.000 1.171 698 A CA 2.073 54.254 52.037 0.241 0.000 0.640 698 A CB -1.171 17.826 19.000 -0.006 0.000 0.811 698 A HN 0.418 nan 8.150 nan 0.000 0.451 699 S N -0.880 114.876 115.700 0.092 0.000 2.440 699 S HA -0.168 4.302 4.470 -0.000 0.000 0.240 699 S C 0.602 175.241 174.600 0.065 0.000 1.014 699 S CA 1.393 59.623 58.200 0.050 0.000 0.980 699 S CB -0.362 62.858 63.200 0.033 0.000 0.775 699 S HN 0.590 nan 8.310 nan 0.000 0.499 700 D N 1.723 122.196 120.400 0.120 0.000 2.441 700 D HA 0.380 5.020 4.640 -0.000 0.000 0.287 700 D C -1.882 174.504 176.300 0.143 0.000 1.198 700 D CA -2.458 51.611 54.000 0.114 0.000 0.894 700 D CB 1.167 42.038 40.800 0.118 0.000 1.070 700 D HN -0.046 nan 8.370 nan 0.000 0.499 701 P HA -0.236 nan 4.420 nan 0.000 0.219 701 P C 1.318 178.681 177.300 0.105 0.000 1.149 701 P CA 1.121 64.263 63.100 0.069 0.000 0.835 701 P CB 0.293 31.998 31.700 0.008 0.000 0.778 702 I N -2.010 118.606 120.570 0.077 0.000 2.339 702 I HA -0.085 4.085 4.170 -0.000 0.000 0.245 702 I C 2.103 178.250 176.117 0.050 0.000 1.096 702 I CA 1.021 62.348 61.300 0.045 0.000 1.408 702 I CB -0.777 37.230 38.000 0.012 0.000 1.092 702 I HN -0.075 nan 8.210 nan 0.000 0.423 703 L N -0.002 121.266 121.223 0.076 0.000 2.627 703 L HA 0.020 4.360 4.340 -0.000 0.000 0.232 703 L C 0.366 177.296 176.870 0.100 0.000 1.150 703 L CA 0.061 54.938 54.840 0.061 0.000 0.917 703 L CB -0.561 41.525 42.059 0.046 0.000 1.104 703 L HN 0.140 nan 8.230 nan 0.000 0.445 704 Y N 1.055 121.384 120.300 0.048 0.000 2.335 704 Y HA 0.399 4.949 4.550 -0.000 0.000 0.331 704 Y C 0.132 176.051 175.900 0.032 0.000 1.094 704 Y CA -0.487 57.659 58.100 0.076 0.000 1.253 704 Y CB 0.365 38.872 38.460 0.079 0.000 1.203 704 Y HN -0.038 nan 8.280 nan 0.000 0.508 705 R N 7.601 127.596 120.500 -0.842 0.000 2.451 705 R HA 0.337 4.677 4.340 -0.000 0.000 0.307 705 R C -2.777 173.106 176.300 -0.695 0.000 0.965 705 R CA -2.066 53.703 56.100 -0.552 0.000 0.865 705 R CB 1.509 31.603 30.300 -0.344 0.000 1.174 705 R HN 0.520 nan 8.270 nan 0.000 0.455 706 P HA 0.034 nan 4.420 nan 0.000 0.268 706 P C -0.785 176.591 177.300 0.126 0.000 1.204 706 P CA -0.107 62.983 63.100 -0.016 0.000 0.768 706 P CB 0.785 32.541 31.700 0.094 0.000 0.842 707 V N 2.482 122.464 119.914 0.113 0.000 2.525 707 V HA 0.567 4.687 4.120 -0.000 0.000 0.299 707 V C 0.367 176.539 176.094 0.129 0.000 1.034 707 V CA -0.954 61.404 62.300 0.095 0.000 0.863 707 V CB 1.538 33.374 31.823 0.022 0.000 0.999 707 V HN 0.682 nan 8.190 nan 0.000 0.423 708 A N 4.440 127.354 122.820 0.156 0.000 2.313 708 A HA 0.787 5.107 4.320 -0.000 0.000 0.261 708 A C -0.366 177.254 177.584 0.060 0.000 1.090 708 A CA -0.340 51.775 52.037 0.130 0.000 0.807 708 A CB 0.883 19.984 19.000 0.169 0.000 1.055 708 A HN 0.777 nan 8.150 nan 0.000 0.492 709 V N 0.534 120.465 119.914 0.029 0.000 2.483 709 V HA 0.645 4.765 4.120 -0.000 0.000 0.297 709 V C 0.242 176.279 176.094 -0.095 0.000 1.027 709 V CA -0.052 62.236 62.300 -0.021 0.000 0.855 709 V CB 1.135 32.951 31.823 -0.012 0.000 0.995 709 V HN 1.254 nan 8.190 nan 0.000 0.424 710 A N 4.958 127.664 122.820 -0.191 0.000 2.374 710 A HA 0.924 5.244 4.320 -0.000 0.000 0.317 710 A C -1.177 176.169 177.584 -0.398 0.000 1.094 710 A CA -0.621 51.142 52.037 -0.458 0.000 0.765 710 A CB 1.604 19.989 19.000 -1.024 0.000 1.268 710 A HN 0.879 nan 8.150 nan 0.000 0.438 711 L N 1.819 122.786 121.223 -0.426 0.000 2.305 711 L HA 0.464 4.804 4.340 -0.000 0.000 0.284 711 L C -1.134 175.586 176.870 -0.250 0.000 1.013 711 L CA -0.477 54.212 54.840 -0.251 0.000 0.819 711 L CB 1.234 43.114 42.059 -0.299 0.000 1.227 711 L HN 0.714 nan 8.230 nan 0.000 0.417 712 D N 3.825 124.191 120.400 -0.056 0.000 2.427 712 D HA 0.145 4.785 4.640 -0.000 0.000 0.226 712 D C -0.264 176.106 176.300 0.117 0.000 1.076 712 D CA -0.180 53.852 54.000 0.054 0.000 0.849 712 D CB 1.465 42.334 40.800 0.114 0.000 1.052 712 D HN 0.591 nan 8.370 nan 0.000 0.515 713 T N 1.049 115.651 114.554 0.081 0.000 2.916 713 T HA 0.056 4.406 4.350 -0.000 0.000 0.303 713 T C 1.345 176.098 174.700 0.088 0.000 1.025 713 T CA -0.320 61.825 62.100 0.075 0.000 1.142 713 T CB 1.738 70.631 68.868 0.041 0.000 0.947 713 T HN 0.379 nan 8.240 nan 0.000 0.544 714 K N 3.247 123.702 120.400 0.091 0.000 2.032 714 K HA 0.107 4.427 4.320 -0.000 0.000 0.209 714 K C 1.249 177.858 176.600 0.015 0.000 1.048 714 K CA 1.517 57.827 56.287 0.039 0.000 0.927 714 K CB -1.025 31.502 32.500 0.045 0.000 0.712 714 K HN 1.300 nan 8.250 nan 0.000 0.441 715 G N -0.250 108.568 108.800 0.030 0.000 2.741 715 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.222 715 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.222 715 G C -2.538 172.342 174.900 -0.035 0.000 1.364 715 G CA -0.435 44.681 45.100 0.027 0.000 0.866 715 G HN 0.245 nan 8.290 nan 0.000 0.555 716 P HA 0.399 nan 4.420 nan 0.000 0.269 716 P C -0.176 176.939 177.300 -0.310 0.000 1.209 716 P CA 0.471 63.467 63.100 -0.172 0.000 0.776 716 P CB 0.904 32.502 31.700 -0.171 0.000 0.876 717 E N 0.965 121.012 120.200 -0.255 0.000 2.372 717 E HA 0.469 4.819 4.350 -0.000 0.000 0.279 717 E C -0.960 175.517 176.600 -0.205 0.000 0.946 717 E CA -0.656 55.600 56.400 -0.239 0.000 0.769 717 E CB 1.866 31.490 29.700 -0.128 0.000 1.230 717 E HN 0.320 nan 8.360 nan 0.000 0.442 718 I N 2.344 122.802 120.570 -0.186 0.000 2.433 718 I HA 0.522 4.692 4.170 -0.000 0.000 0.292 718 I C -0.212 175.870 176.117 -0.058 0.000 1.001 718 I CA -0.666 60.558 61.300 -0.126 0.000 1.119 718 I CB 1.515 39.442 38.000 -0.122 0.000 1.289 718 I HN 0.212 nan 8.210 nan 0.000 0.438 719 R N 2.877 123.359 120.500 -0.029 0.000 2.725 719 R HA 0.498 4.838 4.340 -0.000 0.000 0.277 719 R C -0.437 175.890 176.300 0.045 0.000 0.987 719 R CA -0.690 55.426 56.100 0.026 0.000 0.901 719 R CB 2.872 33.210 30.300 0.064 0.000 1.207 719 R HN 0.782 nan 8.270 nan 0.000 0.463 720 T N -1.152 113.459 114.554 0.095 0.000 2.810 720 T HA 0.485 4.835 4.350 -0.000 0.000 0.277 720 T C 0.839 175.733 174.700 0.324 0.000 0.973 720 T CA -0.506 61.690 62.100 0.160 0.000 0.949 720 T CB 1.250 70.204 68.868 0.142 0.000 1.075 720 T HN 0.582 nan 8.240 nan 0.000 0.537 721 G N -0.558 108.524 108.800 0.470 0.000 2.525 721 G HA2 0.557 4.517 3.960 -0.000 0.000 0.287 721 G HA3 0.557 4.517 3.960 -0.000 0.000 0.287 721 G C -0.501 174.515 174.900 0.193 0.000 1.350 721 G CA -1.250 44.103 45.100 0.421 0.000 1.039 721 G HN 0.829 nan 8.290 nan 0.000 0.513 722 L N 0.508 121.790 121.223 0.098 0.000 2.349 722 L HA 0.279 4.619 4.340 -0.000 0.000 0.275 722 L C 0.084 176.989 176.870 0.059 0.000 1.115 722 L CA -0.616 54.258 54.840 0.056 0.000 0.820 722 L CB 1.206 43.269 42.059 0.007 0.000 1.135 722 L HN 0.208 nan 8.230 nan 0.000 0.445 723 I N 4.736 125.340 120.570 0.057 0.000 2.379 723 I HA 0.042 4.212 4.170 -0.000 0.000 0.290 723 I C 0.491 176.629 176.117 0.034 0.000 1.063 723 I CA -0.183 61.151 61.300 0.057 0.000 1.351 723 I CB 0.653 38.689 38.000 0.060 0.000 1.410 723 I HN 0.693 nan 8.210 nan 0.000 0.505 724 K N 4.967 125.387 120.400 0.033 0.000 3.148 724 K HA -0.224 4.096 4.320 -0.000 0.000 0.267 724 K C 1.021 177.619 176.600 -0.003 0.000 0.996 724 K CA 0.739 57.035 56.287 0.016 0.000 0.737 724 K CB -1.792 30.718 32.500 0.017 0.000 1.308 724 K HN 1.150 nan 8.250 nan 0.000 0.470 725 G N -0.290 108.503 108.800 -0.012 0.000 2.200 725 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.267 725 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.267 725 G C 0.041 174.928 174.900 -0.021 0.000 0.993 725 G CA 1.096 46.179 45.100 -0.029 0.000 0.701 725 G HN 0.782 nan 8.290 nan 0.000 0.524 726 S N -1.211 114.484 115.700 -0.008 0.000 2.503 726 S HA 0.680 5.150 4.470 -0.000 0.000 0.301 726 S C 1.362 175.962 174.600 0.001 0.000 1.087 726 S CA 0.613 58.809 58.200 -0.007 0.000 1.042 726 S CB 1.677 64.872 63.200 -0.007 0.000 1.043 726 S HN 1.086 nan 8.310 nan 0.000 0.489 727 G N 1.102 109.900 108.800 -0.002 0.000 2.777 727 G HA2 0.050 4.010 3.960 -0.000 0.000 0.211 727 G HA3 0.050 4.010 3.960 -0.000 0.000 0.211 727 G C 1.061 175.962 174.900 0.002 0.000 1.149 727 G CA 0.832 45.934 45.100 0.003 0.000 0.785 727 G HN 0.897 nan 8.290 nan 0.000 0.536 728 T N -2.688 111.863 114.554 -0.005 0.000 3.010 728 T HA 0.619 4.969 4.350 -0.000 0.000 0.257 728 T C 1.143 175.836 174.700 -0.013 0.000 1.020 728 T CA 0.545 62.638 62.100 -0.011 0.000 0.938 728 T CB 0.517 69.373 68.868 -0.020 0.000 1.049 728 T HN 0.272 nan 8.240 nan 0.000 0.522 729 A N 1.029 123.846 122.820 -0.004 0.000 2.313 729 A HA 0.668 4.988 4.320 -0.000 0.000 0.261 729 A C 0.010 177.599 177.584 0.008 0.000 1.090 729 A CA -0.463 51.572 52.037 -0.003 0.000 0.807 729 A CB 0.385 19.387 19.000 0.003 0.000 1.055 729 A HN 0.583 nan 8.150 nan 0.000 0.492 730 E N -1.051 119.151 120.200 0.003 0.000 2.408 730 E HA 0.608 4.958 4.350 -0.000 0.000 0.275 730 E C -1.517 175.125 176.600 0.070 0.000 0.935 730 E CA -0.671 55.748 56.400 0.033 0.000 0.775 730 E CB 2.431 32.119 29.700 -0.020 0.000 1.277 730 E HN 0.407 nan 8.360 nan 0.000 0.455 731 V N 0.803 120.800 119.914 0.138 0.000 3.158 731 V HA 0.404 4.524 4.120 -0.000 0.000 0.311 731 V C -1.115 175.140 176.094 0.270 0.000 1.181 731 V CA -0.751 61.645 62.300 0.161 0.000 1.054 731 V CB 2.237 34.126 31.823 0.110 0.000 1.085 731 V HN 0.744 nan 8.190 nan 0.000 0.446 732 E N 1.637 121.961 120.200 0.207 0.000 2.185 732 E HA 0.543 4.893 4.350 -0.000 0.000 0.261 732 E C -1.643 174.970 176.600 0.021 0.000 0.879 732 E CA -0.546 55.929 56.400 0.124 0.000 0.756 732 E CB 1.341 31.099 29.700 0.097 0.000 1.152 732 E HN 0.586 nan 8.360 nan 0.000 0.416 733 L N 4.199 125.410 121.223 -0.019 0.000 2.326 733 L HA 0.435 4.775 4.340 -0.000 0.000 0.278 733 L C 0.075 176.912 176.870 -0.055 0.000 1.092 733 L CA -0.583 54.247 54.840 -0.017 0.000 0.810 733 L CB 0.948 43.005 42.059 -0.002 0.000 1.153 733 L HN 0.512 nan 8.230 nan 0.000 0.439 734 K N 2.734 123.115 120.400 -0.032 0.000 2.270 734 K HA 0.319 4.639 4.320 -0.000 0.000 0.255 734 K C -0.671 175.914 176.600 -0.024 0.000 0.936 734 K CA -0.991 55.272 56.287 -0.040 0.000 0.809 734 K CB 2.436 34.920 32.500 -0.027 0.000 1.131 734 K HN 0.367 nan 8.250 nan 0.000 0.427 735 K N 0.907 121.289 120.400 -0.030 0.000 2.511 735 K HA -0.045 4.275 4.320 -0.000 0.000 0.280 735 K C 0.699 177.294 176.600 -0.008 0.000 1.008 735 K CA 1.452 57.729 56.287 -0.017 0.000 1.050 735 K CB -0.031 32.457 32.500 -0.020 0.000 0.889 735 K HN 0.831 nan 8.250 nan 0.000 0.484 736 G N 1.917 110.717 108.800 -0.001 0.000 2.232 736 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.226 736 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.226 736 G C 0.182 175.085 174.900 0.005 0.000 0.996 736 G CA 0.007 45.109 45.100 0.003 0.000 0.626 736 G HN 0.958 nan 8.290 nan 0.000 0.509 737 A N 0.018 122.841 122.820 0.004 0.000 2.296 737 A HA 0.717 5.037 4.320 -0.000 0.000 0.264 737 A C 0.613 178.204 177.584 0.012 0.000 1.097 737 A CA 1.185 53.227 52.037 0.008 0.000 0.811 737 A CB 0.411 19.415 19.000 0.007 0.000 1.072 737 A HN 0.709 nan 8.150 nan 0.000 0.495 738 T N 0.500 115.061 114.554 0.013 0.000 2.875 738 T HA 0.539 4.889 4.350 -0.000 0.000 0.284 738 T C -0.844 173.866 174.700 0.018 0.000 0.995 738 T CA 0.030 62.139 62.100 0.016 0.000 1.060 738 T CB 0.747 69.622 68.868 0.012 0.000 0.967 738 T HN 0.623 nan 8.240 nan 0.000 0.476 739 L N 2.758 123.995 121.223 0.023 0.000 2.464 739 L HA 0.559 4.899 4.340 -0.000 0.000 0.266 739 L C -0.895 175.993 176.870 0.031 0.000 0.965 739 L CA -0.557 54.299 54.840 0.027 0.000 0.833 739 L CB 1.786 43.865 42.059 0.033 0.000 1.296 739 L HN 0.412 nan 8.230 nan 0.000 0.405 740 K N 5.610 126.022 120.400 0.021 0.000 2.213 740 K HA 0.548 4.868 4.320 -0.000 0.000 0.270 740 K C -1.119 175.497 176.600 0.027 0.000 1.002 740 K CA -0.560 55.742 56.287 0.024 0.000 0.868 740 K CB 0.872 33.353 32.500 -0.031 0.000 1.093 740 K HN 0.669 nan 8.250 nan 0.000 0.454 741 I N 4.005 124.609 120.570 0.057 0.000 2.359 741 I HA 0.174 4.344 4.170 -0.000 0.000 0.294 741 I C 0.373 176.523 176.117 0.056 0.000 0.987 741 I CA -0.522 60.799 61.300 0.036 0.000 1.225 741 I CB 1.738 39.743 38.000 0.009 0.000 1.366 741 I HN 0.687 nan 8.210 nan 0.000 0.466 742 T N 3.471 118.037 114.554 0.020 0.000 2.916 742 T HA 0.595 4.945 4.350 -0.000 0.000 0.292 742 T C 0.266 174.969 174.700 0.004 0.000 1.055 742 T CA -0.785 61.336 62.100 0.035 0.000 1.009 742 T CB 2.024 70.850 68.868 -0.070 0.000 1.118 742 T HN 0.448 nan 8.240 nan 0.000 0.497 743 L N -0.010 121.236 121.223 0.037 0.000 2.693 743 L HA 0.328 4.668 4.340 -0.000 0.000 0.235 743 L C 0.684 177.729 176.870 0.292 0.000 1.127 743 L CA -0.293 54.528 54.840 -0.031 0.000 0.914 743 L CB 0.103 42.114 42.059 -0.081 0.000 1.193 743 L HN 0.690 nan 8.230 nan 0.000 0.502 744 D N 1.238 121.850 120.400 0.354 0.000 2.346 744 D HA -0.069 4.571 4.640 -0.000 0.000 0.267 744 D C 0.922 177.563 176.300 0.569 0.000 1.320 744 D CA 0.419 54.664 54.000 0.408 0.000 0.951 744 D CB 0.163 41.152 40.800 0.314 0.000 1.079 744 D HN 0.140 nan 8.370 nan 0.000 0.509 745 N N 2.828 121.805 118.700 0.462 0.000 2.586 745 N HA -0.198 4.542 4.740 -0.000 0.000 0.191 745 N C 1.338 176.782 175.510 -0.110 0.000 1.085 745 N CA 0.474 53.577 53.050 0.089 0.000 0.921 745 N CB 0.178 38.741 38.487 0.127 0.000 0.954 745 N HN 0.488 nan 8.380 nan 0.000 0.448 746 A N 0.139 123.003 122.820 0.074 0.000 2.019 746 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 746 A C 0.975 178.374 177.584 -0.308 0.000 1.164 746 A CA 1.084 53.067 52.037 -0.088 0.000 0.644 746 A CB -0.284 18.714 19.000 -0.003 0.000 0.805 746 A HN 0.355 nan 8.150 nan 0.000 0.449 747 Y N -0.894 119.323 120.300 -0.138 0.000 2.507 747 Y HA 0.192 4.742 4.550 -0.000 0.000 0.254 747 Y C 1.904 177.594 175.900 -0.349 0.000 1.171 747 Y CA 0.146 58.169 58.100 -0.128 0.000 1.238 747 Y CB -0.196 38.303 38.460 0.065 0.000 1.148 747 Y HN 0.431 nan 8.280 nan 0.000 0.525 748 M N 0.138 119.303 119.600 -0.724 0.000 2.426 748 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 748 M C -0.154 175.797 176.300 -0.582 0.000 1.068 748 M CA 2.118 56.578 55.300 -1.399 0.000 1.066 748 M CB 0.005 31.270 32.600 -2.224 0.000 1.399 748 M HN 0.289 nan 8.290 nan 0.000 0.449 749 E N -0.032 119.984 120.200 -0.307 0.000 2.810 749 E HA 0.179 4.529 4.350 -0.000 0.000 0.214 749 E C -0.162 176.397 176.600 -0.070 0.000 0.980 749 E CA -0.101 56.208 56.400 -0.153 0.000 1.159 749 E CB 0.681 30.291 29.700 -0.150 0.000 1.047 749 E HN 0.518 nan 8.360 nan 0.000 0.484 750 K N 0.907 121.293 120.400 -0.024 0.000 2.726 750 K HA 0.249 4.569 4.320 -0.000 0.000 0.209 750 K C -0.312 176.374 176.600 0.143 0.000 1.082 750 K CA -0.239 56.071 56.287 0.038 0.000 1.081 750 K CB 0.477 32.964 32.500 -0.022 0.000 0.830 750 K HN 0.048 nan 8.250 nan 0.000 0.470 751 C N 2.705 122.088 119.300 0.138 0.000 2.662 751 C HA 0.143 4.603 4.460 -0.000 0.000 0.420 751 C C 0.653 175.714 174.990 0.119 0.000 1.314 751 C CA -0.247 58.867 59.018 0.159 0.000 1.963 751 C CB -0.551 27.291 27.740 0.170 0.000 2.686 751 C HN 0.676 nan 8.230 nan 0.000 0.609 752 D N -0.071 120.397 120.400 0.114 0.000 2.851 752 D HA 0.119 4.759 4.640 -0.000 0.000 0.339 752 D C 0.666 177.015 176.300 0.081 0.000 1.347 752 D CA -0.565 53.489 54.000 0.090 0.000 0.888 752 D CB 0.035 40.885 40.800 0.082 0.000 1.431 752 D HN 0.515 nan 8.370 nan 0.000 0.509 753 E N 0.134 120.376 120.200 0.069 0.000 2.331 753 E HA -0.209 4.141 4.350 -0.000 0.000 0.199 753 E C 0.056 176.685 176.600 0.048 0.000 1.008 753 E CA 1.497 57.932 56.400 0.059 0.000 0.843 753 E CB -0.557 29.174 29.700 0.053 0.000 0.761 753 E HN 0.530 nan 8.360 nan 0.000 0.507 754 N N -0.203 118.527 118.700 0.050 0.000 2.382 754 N HA 0.258 4.998 4.740 -0.000 0.000 0.200 754 N C -0.089 175.438 175.510 0.030 0.000 1.122 754 N CA -0.013 53.058 53.050 0.035 0.000 0.870 754 N CB 0.864 39.368 38.487 0.028 0.000 1.176 754 N HN 0.016 nan 8.380 nan 0.000 0.474 755 I N 1.227 121.826 120.570 0.049 0.000 2.466 755 I HA 0.320 4.490 4.170 -0.000 0.000 0.289 755 I C -1.225 174.948 176.117 0.093 0.000 1.026 755 I CA -0.468 60.855 61.300 0.039 0.000 1.078 755 I CB 2.575 40.587 38.000 0.020 0.000 1.249 755 I HN -0.065 nan 8.210 nan 0.000 0.429 756 L N 5.736 127.014 121.223 0.091 0.000 2.349 756 L HA 0.464 4.804 4.340 -0.000 0.000 0.278 756 L C -1.591 175.392 176.870 0.187 0.000 0.996 756 L CA -0.529 54.395 54.840 0.140 0.000 0.825 756 L CB 1.947 44.063 42.059 0.095 0.000 1.243 756 L HN 0.746 nan 8.230 nan 0.000 0.412 757 W N 6.726 128.061 121.300 0.058 0.000 2.551 757 W HA 0.676 5.336 4.660 -0.000 0.000 0.330 757 W C -1.621 174.938 176.519 0.065 0.000 1.063 757 W CA -0.409 56.975 57.345 0.065 0.000 1.222 757 W CB 1.185 30.710 29.460 0.108 0.000 1.349 757 W HN 0.264 nan 8.180 nan 0.000 0.536 758 L N 4.691 125.399 121.223 -0.859 0.000 2.327 758 L HA 0.338 4.678 4.340 -0.000 0.000 0.258 758 L C 0.615 176.610 176.870 -1.459 0.000 1.024 758 L CA -0.978 53.352 54.840 -0.851 0.000 0.825 758 L CB 1.724 43.570 42.059 -0.355 0.000 1.386 758 L HN 0.382 nan 8.230 nan 0.000 0.417 759 D N -0.286 119.639 120.400 -0.791 0.000 2.178 759 D HA -0.153 4.487 4.640 -0.000 0.000 0.202 759 D C 0.141 176.358 176.300 -0.139 0.000 0.974 759 D CA 1.395 55.164 54.000 -0.384 0.000 0.841 759 D CB 0.174 40.912 40.800 -0.103 0.000 0.953 759 D HN 0.301 nan 8.370 nan 0.000 0.478 760 Y N 2.017 122.150 120.300 -0.278 0.000 2.627 760 Y HA 0.154 4.704 4.550 -0.000 0.000 0.347 760 Y C 1.112 176.917 175.900 -0.158 0.000 1.099 760 Y CA -0.687 57.312 58.100 -0.168 0.000 1.408 760 Y CB -0.164 38.212 38.460 -0.140 0.000 1.247 760 Y HN -0.250 nan 8.280 nan 0.000 0.506 761 K N 2.318 122.696 120.400 -0.037 0.000 2.152 761 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 761 K C 1.042 177.426 176.600 -0.359 0.000 1.048 761 K CA 1.489 57.679 56.287 -0.161 0.000 0.933 761 K CB 0.193 32.674 32.500 -0.033 0.000 0.721 761 K HN 0.589 nan 8.250 nan 0.000 0.447 762 N N 0.850 119.150 118.700 -0.665 0.000 2.336 762 N HA -0.000 4.740 4.740 -0.000 0.000 0.189 762 N C 1.405 176.363 175.510 -0.919 0.000 1.113 762 N CA 0.154 52.798 53.050 -0.677 0.000 0.858 762 N CB 0.210 38.527 38.487 -0.283 0.000 0.970 762 N HN 0.208 nan 8.380 nan 0.000 0.471 763 I N 1.122 120.932 120.570 -1.266 0.000 2.103 763 I HA -0.458 3.712 4.170 -0.000 0.000 0.241 763 I C 1.543 177.448 176.117 -0.355 0.000 1.036 763 I CA 1.617 62.483 61.300 -0.725 0.000 1.300 763 I CB -0.074 37.683 38.000 -0.405 0.000 1.010 763 I HN 0.182 nan 8.210 nan 0.000 0.406 764 C N 0.522 119.635 119.300 -0.312 0.000 2.409 764 C HA -0.155 4.305 4.460 -0.000 0.000 0.284 764 C C 2.534 177.407 174.990 -0.195 0.000 1.354 764 C CA 0.782 59.654 59.018 -0.243 0.000 1.787 764 C CB -1.437 26.140 27.740 -0.271 0.000 1.900 764 C HN 0.492 nan 8.230 nan 0.000 0.520 765 K N 0.878 121.158 120.400 -0.200 0.000 2.155 765 K HA -0.061 4.258 4.320 -0.000 0.000 0.203 765 K C 1.861 178.406 176.600 -0.092 0.000 1.052 765 K CA 1.576 57.781 56.287 -0.135 0.000 0.948 765 K CB -0.041 32.385 32.500 -0.123 0.000 0.728 765 K HN 0.588 nan 8.250 nan 0.000 0.448 766 V N -1.536 118.329 119.914 -0.082 0.000 3.660 766 V HA 0.117 4.237 4.120 -0.000 0.000 0.276 766 V C 0.526 176.599 176.094 -0.034 0.000 1.317 766 V CA -0.472 61.817 62.300 -0.019 0.000 1.097 766 V CB -0.028 31.842 31.823 0.078 0.000 0.863 766 V HN -0.027 nan 8.190 nan 0.000 0.438 767 V N -0.944 118.929 119.914 -0.068 0.000 2.630 767 V HA 0.789 4.909 4.120 -0.000 0.000 0.305 767 V C -1.062 174.980 176.094 -0.087 0.000 1.046 767 V CA -0.449 61.806 62.300 -0.075 0.000 0.934 767 V CB 1.671 33.447 31.823 -0.079 0.000 1.003 767 V HN 0.269 nan 8.190 nan 0.000 0.451 768 D N 1.795 122.146 120.400 -0.081 0.000 2.419 768 D HA 0.538 5.178 4.640 -0.000 0.000 0.234 768 D C -0.324 175.933 176.300 -0.070 0.000 1.014 768 D CA -0.427 53.528 54.000 -0.076 0.000 0.919 768 D CB 2.094 42.855 40.800 -0.066 0.000 1.366 768 D HN 0.575 nan 8.370 nan 0.000 0.490 769 V N 1.095 120.971 119.914 -0.064 0.000 2.617 769 V HA 0.329 4.449 4.120 -0.000 0.000 0.304 769 V C 1.581 177.649 176.094 -0.042 0.000 1.040 769 V CA 1.590 63.859 62.300 -0.050 0.000 1.149 769 V CB 0.372 32.170 31.823 -0.041 0.000 0.914 769 V HN 0.947 nan 8.190 nan 0.000 0.487 770 G N 3.533 112.311 108.800 -0.036 0.000 2.157 770 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.239 770 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.239 770 G C 0.285 175.160 174.900 -0.042 0.000 0.982 770 G CA 0.176 45.258 45.100 -0.031 0.000 0.650 770 G HN 0.753 nan 8.290 nan 0.000 0.527 771 S N 0.236 115.902 115.700 -0.058 0.000 2.713 771 S HA 0.715 5.185 4.470 -0.000 0.000 0.283 771 S C 0.177 174.722 174.600 -0.091 0.000 1.161 771 S CA -0.633 57.517 58.200 -0.083 0.000 0.999 771 S CB 1.217 64.358 63.200 -0.099 0.000 1.039 771 S HN 0.350 nan 8.310 nan 0.000 0.548 772 K N 1.169 121.479 120.400 -0.150 0.000 2.156 772 K HA 0.596 4.916 4.320 -0.000 0.000 0.254 772 K C -1.244 175.197 176.600 -0.266 0.000 0.950 772 K CA -0.636 55.545 56.287 -0.178 0.000 0.849 772 K CB 1.687 34.059 32.500 -0.212 0.000 1.100 772 K HN 0.301 nan 8.250 nan 0.000 0.434 773 V N 3.067 122.897 119.914 -0.139 0.000 2.495 773 V HA 0.307 4.427 4.120 -0.000 0.000 0.298 773 V C -1.212 174.934 176.094 0.088 0.000 1.031 773 V CA -0.846 61.404 62.300 -0.083 0.000 0.871 773 V CB 0.950 32.766 31.823 -0.012 0.000 0.988 773 V HN 0.513 nan 8.190 nan 0.000 0.432 774 Y N 3.374 123.685 120.300 0.018 0.000 2.352 774 Y HA 0.721 5.271 4.550 -0.000 0.000 0.339 774 Y C 0.043 175.955 175.900 0.020 0.000 0.992 774 Y CA -1.399 56.713 58.100 0.021 0.000 1.100 774 Y CB 2.079 40.555 38.460 0.028 0.000 1.192 774 Y HN 0.329 nan 8.280 nan 0.000 0.458 775 V N 2.642 122.667 119.914 0.185 0.000 2.680 775 V HA 0.356 4.476 4.120 -0.000 0.000 0.309 775 V C -0.448 175.693 176.094 0.078 0.000 1.052 775 V CA -1.230 61.137 62.300 0.111 0.000 0.908 775 V CB 1.801 33.678 31.823 0.089 0.000 1.001 775 V HN 0.792 nan 8.190 nan 0.000 0.431 776 D N 3.285 123.727 120.400 0.069 0.000 2.848 776 D HA -0.147 4.493 4.640 -0.000 0.000 0.245 776 D C 0.151 176.473 176.300 0.037 0.000 1.122 776 D CA 1.016 55.048 54.000 0.053 0.000 0.769 776 D CB -0.789 40.043 40.800 0.053 0.000 1.025 776 D HN 0.929 nan 8.370 nan 0.000 0.423 777 D N -0.541 119.884 120.400 0.042 0.000 2.772 777 D HA -0.166 4.473 4.640 -0.000 0.000 0.233 777 D C 1.274 177.561 176.300 -0.022 0.000 1.143 777 D CA 2.302 56.318 54.000 0.026 0.000 0.700 777 D CB -1.508 39.305 40.800 0.022 0.000 1.076 777 D HN 0.955 nan 8.370 nan 0.000 0.430 778 G N -0.996 107.782 108.800 -0.037 0.000 2.189 778 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.267 778 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.267 778 G C 1.305 176.068 174.900 -0.229 0.000 0.975 778 G CA 0.709 45.654 45.100 -0.259 0.000 0.644 778 G HN 0.516 nan 8.290 nan 0.000 0.537 779 L N -0.632 120.537 121.223 -0.091 0.000 2.042 779 L HA 0.095 4.435 4.340 -0.000 0.000 0.210 779 L C 1.631 178.464 176.870 -0.061 0.000 1.076 779 L CA 1.239 56.042 54.840 -0.062 0.000 0.749 779 L CB -0.188 41.864 42.059 -0.012 0.000 0.893 779 L HN 0.345 nan 8.230 nan 0.000 0.432 780 I N -0.754 119.800 120.570 -0.027 0.000 2.377 780 I HA 0.135 4.305 4.170 -0.000 0.000 0.293 780 I C 0.102 176.247 176.117 0.046 0.000 0.987 780 I CA -0.143 61.158 61.300 0.002 0.000 1.185 780 I CB 1.873 39.893 38.000 0.033 0.000 1.341 780 I HN -0.056 nan 8.210 nan 0.000 0.455 781 S N 7.269 123.005 115.700 0.060 0.000 2.482 781 S HA 0.770 5.240 4.470 -0.000 0.000 0.303 781 S C -1.123 173.567 174.600 0.151 0.000 1.091 781 S CA -0.541 57.778 58.200 0.198 0.000 1.057 781 S CB 1.208 64.513 63.200 0.174 0.000 1.031 781 S HN 0.369 nan 8.310 nan 0.000 0.485 782 L N 3.159 124.481 121.223 0.165 0.000 2.401 782 L HA 0.577 4.917 4.340 -0.000 0.000 0.266 782 L C -0.341 176.561 176.870 0.054 0.000 0.991 782 L CA -0.192 54.697 54.840 0.083 0.000 0.818 782 L CB 1.960 44.057 42.059 0.064 0.000 1.321 782 L HN 0.859 nan 8.230 nan 0.000 0.413 783 Q N 2.063 121.884 119.800 0.035 0.000 2.333 783 Q HA 0.468 4.808 4.340 -0.000 0.000 0.265 783 Q C -1.289 174.713 176.000 0.003 0.000 0.989 783 Q CA -0.679 55.133 55.803 0.014 0.000 0.842 783 Q CB 1.929 30.678 28.738 0.018 0.000 1.262 783 Q HN 0.468 nan 8.270 nan 0.000 0.451 784 V N 5.724 125.628 119.914 -0.015 0.000 2.450 784 V HA -0.026 4.094 4.120 -0.000 0.000 0.281 784 V C 0.955 177.042 176.094 -0.013 0.000 1.019 784 V CA 0.733 63.021 62.300 -0.020 0.000 1.062 784 V CB 0.524 32.320 31.823 -0.045 0.000 0.979 784 V HN 0.779 nan 8.190 nan 0.000 0.477 785 K N 3.300 123.701 120.400 0.002 0.000 2.399 785 K HA 0.265 4.585 4.320 -0.000 0.000 0.196 785 K C 0.392 176.999 176.600 0.013 0.000 1.117 785 K CA 0.172 56.464 56.287 0.008 0.000 0.965 785 K CB 1.014 33.525 32.500 0.017 0.000 0.983 785 K HN 0.624 nan 8.250 nan 0.000 0.531 786 Q N 0.330 120.145 119.800 0.024 0.000 2.309 786 Q HA 0.300 4.640 4.340 -0.000 0.000 0.273 786 Q C -1.588 174.386 176.000 -0.043 0.000 1.040 786 Q CA -0.507 55.316 55.803 0.034 0.000 0.834 786 Q CB 2.925 31.739 28.738 0.128 0.000 1.345 786 Q HN -0.181 nan 8.270 nan 0.000 0.414 787 K N 1.138 121.452 120.400 -0.144 0.000 2.376 787 K HA 0.712 5.032 4.320 -0.000 0.000 0.257 787 K C -0.912 175.359 176.600 -0.549 0.000 0.939 787 K CA -0.331 55.746 56.287 -0.351 0.000 0.809 787 K CB 1.688 34.051 32.500 -0.228 0.000 1.121 787 K HN 0.812 nan 8.250 nan 0.000 0.425 788 G N 2.144 110.253 108.800 -1.151 0.000 3.108 788 G HA2 0.441 4.401 3.960 -0.000 0.000 0.268 788 G HA3 0.441 4.401 3.960 -0.000 0.000 0.268 788 G C -2.365 172.174 174.900 -0.602 0.000 1.361 788 G CA -0.948 43.531 45.100 -1.035 0.000 1.047 788 G HN 0.340 nan 8.290 nan 0.000 0.540 789 P HA 0.166 nan 4.420 nan 0.000 0.255 789 P C 0.135 177.363 177.300 -0.120 0.000 1.248 789 P CA 0.715 63.716 63.100 -0.164 0.000 0.807 789 P CB 0.818 32.482 31.700 -0.060 0.000 1.150 790 D N -1.141 119.198 120.400 -0.101 0.000 2.460 790 D HA 0.047 4.687 4.640 -0.000 0.000 0.263 790 D C -0.370 175.990 176.300 0.100 0.000 1.209 790 D CA -0.047 53.978 54.000 0.041 0.000 0.818 790 D CB 1.043 41.956 40.800 0.189 0.000 1.239 790 D HN 0.031 nan 8.370 nan 0.000 0.530 791 F N -0.198 119.707 119.950 -0.074 0.000 2.713 791 F HA 0.609 5.136 4.527 -0.000 0.000 0.311 791 F C -2.235 173.520 175.800 -0.074 0.000 1.141 791 F CA -1.262 56.690 58.000 -0.080 0.000 0.939 791 F CB 0.861 39.817 39.000 -0.073 0.000 1.325 791 F HN -0.309 nan 8.300 nan 0.000 0.453 792 L N 2.159 123.422 121.223 0.067 0.000 2.381 792 L HA 0.798 5.138 4.340 -0.000 0.000 0.268 792 L C -1.081 175.907 176.870 0.197 0.000 0.997 792 L CA -1.321 53.527 54.840 0.014 0.000 0.818 792 L CB 2.127 44.150 42.059 -0.061 0.000 1.310 792 L HN 0.591 nan 8.230 nan 0.000 0.416 793 V N 1.079 121.101 119.914 0.179 0.000 2.347 793 V HA 0.575 4.695 4.120 -0.000 0.000 0.280 793 V C 0.265 176.398 176.094 0.065 0.000 1.021 793 V CA -0.318 62.067 62.300 0.141 0.000 0.847 793 V CB 1.512 33.434 31.823 0.165 0.000 0.990 793 V HN 0.942 nan 8.190 nan 0.000 0.444 794 T N 1.378 115.960 114.554 0.047 0.000 2.910 794 T HA 0.763 5.113 4.350 -0.000 0.000 0.287 794 T C -0.687 174.029 174.700 0.028 0.000 1.050 794 T CA -0.811 61.307 62.100 0.030 0.000 1.011 794 T CB 2.358 71.242 68.868 0.027 0.000 1.195 794 T HN 0.711 nan 8.240 nan 0.000 0.540 795 E N 0.931 121.145 120.200 0.024 0.000 2.191 795 E HA 0.524 4.874 4.350 -0.000 0.000 0.263 795 E C -1.129 175.486 176.600 0.025 0.000 0.881 795 E CA -1.030 55.383 56.400 0.022 0.000 0.757 795 E CB 1.699 31.410 29.700 0.018 0.000 1.147 795 E HN 0.549 nan 8.360 nan 0.000 0.414 796 V N 5.378 125.305 119.914 0.022 0.000 2.493 796 V HA -0.040 4.080 4.120 -0.000 0.000 0.292 796 V C 0.875 176.980 176.094 0.018 0.000 1.016 796 V CA 0.651 62.964 62.300 0.021 0.000 1.097 796 V CB 0.623 32.452 31.823 0.010 0.000 0.947 796 V HN 0.867 nan 8.190 nan 0.000 0.479 797 E N 3.249 123.466 120.200 0.027 0.000 2.152 797 E HA 0.106 4.456 4.350 -0.000 0.000 0.195 797 E C 0.453 177.059 176.600 0.009 0.000 0.934 797 E CA 0.139 56.554 56.400 0.024 0.000 0.869 797 E CB 0.397 30.123 29.700 0.044 0.000 0.842 797 E HN 0.679 nan 8.360 nan 0.000 0.472 798 N N 1.434 120.140 118.700 0.010 0.000 2.621 798 N HA 0.215 4.955 4.740 -0.000 0.000 0.237 798 N C -0.212 175.283 175.510 -0.026 0.000 0.997 798 N CA -0.414 52.627 53.050 -0.015 0.000 0.918 798 N CB 1.515 39.987 38.487 -0.025 0.000 1.122 798 N HN 0.028 nan 8.380 nan 0.000 0.510 799 G N 0.761 109.534 108.800 -0.046 0.000 2.583 799 G HA2 0.587 4.547 3.960 -0.000 0.000 0.275 799 G HA3 0.587 4.547 3.960 -0.000 0.000 0.275 799 G C 0.245 175.077 174.900 -0.113 0.000 1.342 799 G CA 0.233 45.290 45.100 -0.072 0.000 1.030 799 G HN 0.667 nan 8.290 nan 0.000 0.520 800 G N -2.730 105.955 108.800 -0.192 0.000 2.369 800 G HA2 0.368 4.328 3.960 -0.000 0.000 0.307 800 G HA3 0.368 4.328 3.960 -0.000 0.000 0.307 800 G C -1.053 173.667 174.900 -0.301 0.000 1.327 800 G CA -1.013 43.899 45.100 -0.313 0.000 0.963 800 G HN 0.562 nan 8.290 nan 0.000 0.590 801 F N -0.173 119.787 119.950 0.016 0.000 2.412 801 F HA 0.640 5.167 4.527 -0.000 0.000 0.348 801 F C 0.592 176.407 175.800 0.024 0.000 1.102 801 F CA -0.682 57.329 58.000 0.019 0.000 1.196 801 F CB 1.513 40.523 39.000 0.015 0.000 1.144 801 F HN 0.372 nan 8.300 nan 0.000 0.541 802 L N 3.230 124.593 121.223 0.234 0.000 2.313 802 L HA 0.751 5.091 4.340 -0.000 0.000 0.283 802 L C 0.078 177.028 176.870 0.132 0.000 1.013 802 L CA -0.142 54.788 54.840 0.149 0.000 0.816 802 L CB 0.912 43.038 42.059 0.113 0.000 1.236 802 L HN 0.640 nan 8.230 nan 0.000 0.419 803 G N 2.567 111.431 108.800 0.107 0.000 2.568 803 G HA2 0.564 4.524 3.960 -0.000 0.000 0.293 803 G HA3 0.564 4.524 3.960 -0.000 0.000 0.293 803 G C -0.890 174.057 174.900 0.078 0.000 1.347 803 G CA -0.559 44.587 45.100 0.077 0.000 1.039 803 G HN 0.644 nan 8.290 nan 0.000 0.523 804 S N -0.158 115.582 115.700 0.066 0.000 2.616 804 S HA 0.393 4.863 4.470 -0.000 0.000 0.277 804 S C -0.127 174.521 174.600 0.081 0.000 1.234 804 S CA -0.685 57.562 58.200 0.077 0.000 1.028 804 S CB 1.292 64.527 63.200 0.058 0.000 0.988 804 S HN 0.574 nan 8.310 nan 0.000 0.522 805 K N 0.241 120.704 120.400 0.107 0.000 3.278 805 K HA -0.145 4.175 4.320 -0.000 0.000 0.270 805 K C -0.788 175.863 176.600 0.086 0.000 0.955 805 K CA 0.560 56.911 56.287 0.108 0.000 0.723 805 K CB -1.133 31.422 32.500 0.093 0.000 1.382 805 K HN 0.366 nan 8.250 nan 0.000 0.461 806 K N 0.223 120.675 120.400 0.085 0.000 2.098 806 K HA 0.350 4.670 4.320 -0.000 0.000 0.261 806 K C 0.928 177.565 176.600 0.061 0.000 0.987 806 K CA -0.285 56.044 56.287 0.071 0.000 0.916 806 K CB 0.968 33.512 32.500 0.074 0.000 1.039 806 K HN 0.315 nan 8.250 nan 0.000 0.455 807 G N 0.148 108.979 108.800 0.051 0.000 2.503 807 G HA2 0.423 4.383 3.960 -0.000 0.000 0.257 807 G HA3 0.423 4.383 3.960 -0.000 0.000 0.257 807 G C -0.652 174.273 174.900 0.041 0.000 1.214 807 G CA -0.414 44.705 45.100 0.033 0.000 0.839 807 G HN 0.220 nan 8.290 nan 0.000 0.559 808 V N 2.123 122.047 119.914 0.017 0.000 2.715 808 V HA 0.496 4.616 4.120 -0.000 0.000 0.310 808 V C -0.312 175.795 176.094 0.022 0.000 1.054 808 V CA -1.060 61.260 62.300 0.033 0.000 0.928 808 V CB 2.051 33.884 31.823 0.017 0.000 1.007 808 V HN 0.767 nan 8.190 nan 0.000 0.437 809 N N 2.815 121.555 118.700 0.067 0.000 2.260 809 N HA 0.470 5.210 4.740 -0.000 0.000 0.293 809 N C -1.824 173.678 175.510 -0.014 0.000 1.058 809 N CA -0.580 52.509 53.050 0.064 0.000 0.824 809 N CB 2.493 41.097 38.487 0.195 0.000 1.551 809 N HN 0.302 nan 8.380 nan 0.000 0.475 810 L N 3.628 124.838 121.223 -0.021 0.000 2.506 810 L HA 0.371 4.711 4.340 -0.000 0.000 0.247 810 L C -2.164 174.638 176.870 -0.114 0.000 1.141 810 L CA -2.162 52.627 54.840 -0.084 0.000 0.973 810 L CB 0.043 42.098 42.059 -0.008 0.000 1.319 810 L HN 0.260 nan 8.230 nan 0.000 0.455 811 P HA 0.139 nan 4.420 nan 0.000 0.261 811 P C 1.022 178.121 177.300 -0.335 0.000 1.183 811 P CA 0.736 63.713 63.100 -0.205 0.000 0.761 811 P CB 0.726 32.272 31.700 -0.256 0.000 0.785 812 G N 1.889 110.364 108.800 -0.541 0.000 2.143 812 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.249 812 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.249 812 G C 0.300 175.055 174.900 -0.241 0.000 0.981 812 G CA 0.017 44.772 45.100 -0.574 0.000 0.665 812 G HN 0.891 nan 8.290 nan 0.000 0.528 813 A N -0.098 122.641 122.820 -0.136 0.000 2.309 813 A HA 0.862 5.182 4.320 -0.000 0.000 0.298 813 A C 0.674 178.252 177.584 -0.010 0.000 1.165 813 A CA 0.662 52.670 52.037 -0.049 0.000 0.821 813 A CB 1.127 20.129 19.000 0.003 0.000 1.102 813 A HN 1.952 nan 8.150 nan 0.000 0.500 814 A N 2.910 125.728 122.820 -0.004 0.000 2.910 814 A HA 0.494 4.814 4.320 -0.000 0.000 0.316 814 A C 0.405 178.019 177.584 0.050 0.000 1.493 814 A CA -0.230 51.810 52.037 0.004 0.000 1.150 814 A CB -1.074 17.918 19.000 -0.013 0.000 1.159 814 A HN 1.919 nan 8.150 nan 0.000 0.526 815 V N 0.654 120.618 119.914 0.083 0.000 2.540 815 V HA 0.187 4.307 4.120 -0.000 0.000 0.297 815 V C 0.599 176.761 176.094 0.112 0.000 1.024 815 V CA 0.389 62.769 62.300 0.132 0.000 1.105 815 V CB 0.479 32.371 31.823 0.114 0.000 0.938 815 V HN 0.744 nan 8.190 nan 0.000 0.482 816 D N 3.480 123.988 120.400 0.180 0.000 2.336 816 D HA 0.135 4.775 4.640 -0.000 0.000 0.228 816 D C 0.237 176.605 176.300 0.114 0.000 1.120 816 D CA -0.339 53.746 54.000 0.143 0.000 0.839 816 D CB -0.379 40.499 40.800 0.131 0.000 0.932 816 D HN 0.586 nan 8.370 nan 0.000 0.509 817 L N 0.826 122.067 121.223 0.029 0.000 2.439 817 L HA 0.315 4.655 4.340 -0.000 0.000 0.269 817 L C -1.743 175.150 176.870 0.039 0.000 1.179 817 L CA -1.661 53.166 54.840 -0.022 0.000 0.828 817 L CB -0.515 41.434 42.059 -0.184 0.000 1.106 817 L HN -0.072 nan 8.230 nan 0.000 0.467 818 P HA 0.023 nan 4.420 nan 0.000 0.269 818 P C 0.185 177.518 177.300 0.055 0.000 1.215 818 P CA -0.229 62.897 63.100 0.043 0.000 0.780 818 P CB 0.787 32.510 31.700 0.037 0.000 0.898 819 A N 3.044 125.893 122.820 0.048 0.000 1.917 819 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 819 A C 1.003 178.623 177.584 0.059 0.000 1.182 819 A CA 2.085 54.153 52.037 0.052 0.000 0.633 819 A CB -1.081 17.936 19.000 0.027 0.000 0.819 819 A HN 0.543 nan 8.150 nan 0.000 0.448 820 V N -1.831 118.110 119.914 0.045 0.000 2.531 820 V HA 0.626 4.746 4.120 -0.000 0.000 0.301 820 V C 0.088 176.202 176.094 0.034 0.000 1.034 820 V CA -0.588 61.735 62.300 0.039 0.000 0.865 820 V CB 0.926 32.768 31.823 0.033 0.000 0.995 820 V HN 0.541 nan 8.190 nan 0.000 0.424 821 S N 2.303 118.021 115.700 0.030 0.000 2.626 821 S HA 0.185 4.654 4.470 -0.000 0.000 0.257 821 S C 1.112 175.731 174.600 0.032 0.000 1.288 821 S CA 0.482 58.697 58.200 0.025 0.000 0.980 821 S CB 0.903 64.114 63.200 0.018 0.000 0.975 821 S HN 1.095 nan 8.310 nan 0.000 0.577 822 E N 0.636 120.855 120.200 0.033 0.000 2.106 822 E HA -0.212 4.138 4.350 -0.000 0.000 0.192 822 E C 1.908 178.533 176.600 0.042 0.000 0.984 822 E CA 1.042 57.463 56.400 0.036 0.000 0.806 822 E CB -0.256 29.465 29.700 0.034 0.000 0.750 822 E HN 0.703 nan 8.360 nan 0.000 0.458 823 K N 0.453 120.879 120.400 0.043 0.000 2.063 823 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 823 K C 1.660 178.303 176.600 0.071 0.000 1.048 823 K CA 1.845 58.166 56.287 0.057 0.000 0.928 823 K CB -0.091 32.444 32.500 0.059 0.000 0.713 823 K HN 0.169 nan 8.250 nan 0.000 0.442 824 D N 0.963 121.395 120.400 0.052 0.000 2.103 824 D HA -0.208 4.432 4.640 -0.000 0.000 0.190 824 D C 1.981 178.299 176.300 0.031 0.000 0.997 824 D CA 1.411 55.434 54.000 0.038 0.000 0.833 824 D CB -0.440 40.379 40.800 0.032 0.000 0.961 824 D HN 0.233 nan 8.370 nan 0.000 0.447 825 I N 0.977 121.569 120.570 0.036 0.000 2.143 825 I HA -0.367 3.803 4.170 -0.000 0.000 0.245 825 I C 2.522 178.671 176.117 0.052 0.000 1.068 825 I CA 1.508 62.830 61.300 0.036 0.000 1.326 825 I CB -0.282 37.741 38.000 0.039 0.000 1.028 825 I HN 0.068 nan 8.210 nan 0.000 0.412 826 Q N 0.185 120.033 119.800 0.080 0.000 2.084 826 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 826 Q C 1.844 177.956 176.000 0.186 0.000 0.978 826 Q CA 1.690 57.578 55.803 0.141 0.000 0.844 826 Q CB -0.204 28.620 28.738 0.143 0.000 0.898 826 Q HN 0.543 nan 8.270 nan 0.000 0.426 827 D N 0.755 121.224 120.400 0.115 0.000 2.117 827 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 827 D C 2.032 178.238 176.300 -0.156 0.000 0.982 827 D CA 0.859 54.828 54.000 -0.052 0.000 0.828 827 D CB -0.211 40.475 40.800 -0.190 0.000 0.967 827 D HN 0.210 nan 8.370 nan 0.000 0.464 828 L N 0.960 122.118 121.223 -0.107 0.000 2.012 828 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 828 L C 2.438 179.268 176.870 -0.066 0.000 1.073 828 L CA 1.295 56.072 54.840 -0.104 0.000 0.748 828 L CB -0.430 41.598 42.059 -0.051 0.000 0.891 828 L HN 0.003 nan 8.230 nan 0.000 0.431 829 K N -0.613 119.789 120.400 0.002 0.000 2.147 829 K HA -0.210 4.110 4.320 -0.000 0.000 0.205 829 K C 2.097 178.708 176.600 0.019 0.000 1.049 829 K CA 1.421 57.721 56.287 0.022 0.000 0.936 829 K CB -0.437 32.101 32.500 0.063 0.000 0.722 829 K HN 0.157 nan 8.250 nan 0.000 0.446 830 F N 1.959 121.820 119.950 -0.149 0.000 2.075 830 F HA -0.096 4.431 4.527 -0.000 0.000 0.297 830 F C 2.306 177.972 175.800 -0.223 0.000 1.113 830 F CA 1.765 59.625 58.000 -0.234 0.000 1.218 830 F CB -0.890 37.781 39.000 -0.549 0.000 0.984 830 F HN 0.029 nan 8.300 nan 0.000 0.472 831 G N -0.056 108.546 108.800 -0.330 0.000 2.442 831 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.219 831 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.219 831 G C 1.800 176.529 174.900 -0.286 0.000 1.141 831 G CA 1.251 46.127 45.100 -0.375 0.000 0.763 831 G HN 0.367 nan 8.290 nan 0.000 0.554 832 V N 0.558 120.355 119.914 -0.196 0.000 2.295 832 V HA -0.117 4.003 4.120 -0.000 0.000 0.246 832 V C 2.808 178.806 176.094 -0.159 0.000 1.049 832 V CA 2.000 64.218 62.300 -0.137 0.000 1.024 832 V CB -0.288 31.487 31.823 -0.080 0.000 0.648 832 V HN 0.248 nan 8.190 nan 0.000 0.447 833 E N -0.301 119.781 120.200 -0.197 0.000 2.204 833 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 833 E C 2.259 178.702 176.600 -0.261 0.000 0.989 833 E CA 0.820 57.108 56.400 -0.187 0.000 0.824 833 E CB -0.233 29.382 29.700 -0.142 0.000 0.756 833 E HN 0.543 nan 8.360 nan 0.000 0.477 834 Q N 0.089 119.636 119.800 -0.421 0.000 2.432 834 Q HA -0.042 4.298 4.340 -0.000 0.000 0.205 834 Q C -0.103 175.767 176.000 -0.216 0.000 0.945 834 Q CA 0.504 56.069 55.803 -0.397 0.000 0.924 834 Q CB 0.190 28.566 28.738 -0.605 0.000 1.016 834 Q HN 0.171 nan 8.270 nan 0.000 0.503 835 D N -0.161 120.132 120.400 -0.178 0.000 2.775 835 D HA -0.132 4.508 4.640 -0.000 0.000 0.235 835 D C -0.216 176.032 176.300 -0.086 0.000 1.120 835 D CA 0.594 54.531 54.000 -0.106 0.000 0.708 835 D CB -1.391 39.364 40.800 -0.075 0.000 1.084 835 D HN 0.110 nan 8.370 nan 0.000 0.434 836 V N -2.744 117.101 119.914 -0.114 0.000 3.376 836 V HA 0.298 4.418 4.120 -0.000 0.000 0.303 836 V C 1.442 177.508 176.094 -0.046 0.000 1.100 836 V CA 0.546 62.791 62.300 -0.091 0.000 1.126 836 V CB 1.026 32.768 31.823 -0.136 0.000 1.085 836 V HN 0.095 nan 8.190 nan 0.000 0.480 837 D N 1.177 121.562 120.400 -0.025 0.000 2.338 837 D HA 0.199 4.839 4.640 -0.000 0.000 0.208 837 D C 0.616 176.935 176.300 0.030 0.000 0.997 837 D CA 1.276 55.289 54.000 0.022 0.000 0.880 837 D CB 0.648 41.485 40.800 0.061 0.000 0.980 837 D HN 0.797 nan 8.370 nan 0.000 0.509 838 M N -1.365 118.228 119.600 -0.012 0.000 2.773 838 M HA 0.484 4.964 4.480 -0.000 0.000 0.270 838 M C -1.884 174.372 176.300 -0.073 0.000 1.238 838 M CA -0.895 54.421 55.300 0.026 0.000 0.832 838 M CB 2.948 35.652 32.600 0.173 0.000 1.672 838 M HN -0.412 nan 8.290 nan 0.000 0.480 839 V N 2.022 121.954 119.914 0.030 0.000 2.588 839 V HA 0.614 4.734 4.120 -0.000 0.000 0.304 839 V C -1.542 174.714 176.094 0.269 0.000 1.042 839 V CA -0.403 61.895 62.300 -0.004 0.000 0.877 839 V CB 2.225 34.041 31.823 -0.013 0.000 0.996 839 V HN 0.668 nan 8.190 nan 0.000 0.425 840 F N 3.793 123.739 119.950 -0.007 0.000 2.334 840 F HA 0.655 5.182 4.527 -0.000 0.000 0.367 840 F C 0.653 176.459 175.800 0.009 0.000 1.115 840 F CA -1.716 56.286 58.000 0.003 0.000 1.116 840 F CB 1.070 40.078 39.000 0.014 0.000 1.230 840 F HN 0.498 nan 8.300 nan 0.000 0.484 841 A N 2.891 125.821 122.820 0.183 0.000 2.316 841 A HA 0.537 4.857 4.320 -0.000 0.000 0.311 841 A C 0.370 178.020 177.584 0.110 0.000 1.339 841 A CA -0.419 51.684 52.037 0.110 0.000 0.960 841 A CB -0.121 18.919 19.000 0.067 0.000 1.152 841 A HN 0.611 nan 8.150 nan 0.000 0.547 842 S N 1.439 117.215 115.700 0.126 0.000 2.562 842 S HA 0.327 4.797 4.470 -0.000 0.000 0.281 842 S C 0.306 175.051 174.600 0.242 0.000 1.333 842 S CA 0.083 58.379 58.200 0.160 0.000 1.052 842 S CB -0.169 63.114 63.200 0.137 0.000 0.884 842 S HN 1.191 nan 8.310 nan 0.000 0.506 843 F N 0.245 120.201 119.950 0.009 0.000 3.057 843 F HA -0.170 4.357 4.527 -0.000 0.000 0.287 843 F C -0.118 175.677 175.800 -0.009 0.000 0.834 843 F CA -0.269 57.729 58.000 -0.003 0.000 1.147 843 F CB -1.436 37.554 39.000 -0.016 0.000 1.245 843 F HN 0.449 nan 8.300 nan 0.000 0.509 844 I N 1.304 121.831 120.570 -0.072 0.000 2.668 844 I HA -0.065 4.105 4.170 -0.000 0.000 0.285 844 I C 1.424 177.389 176.117 -0.253 0.000 1.168 844 I CA 0.756 61.976 61.300 -0.133 0.000 1.424 844 I CB 0.499 38.453 38.000 -0.078 0.000 1.377 844 I HN 0.289 nan 8.210 nan 0.000 0.560 845 R N 4.606 124.950 120.500 -0.261 0.000 2.419 845 R HA 0.172 4.512 4.340 -0.000 0.000 0.235 845 R C 0.031 176.233 176.300 -0.163 0.000 0.899 845 R CA -0.063 55.880 56.100 -0.261 0.000 1.048 845 R CB 0.570 30.669 30.300 -0.336 0.000 1.182 845 R HN 0.633 nan 8.270 nan 0.000 0.544 846 K N -1.114 119.194 120.400 -0.152 0.000 2.685 846 K HA 0.330 4.650 4.320 -0.000 0.000 0.290 846 K C -0.112 176.371 176.600 -0.195 0.000 1.018 846 K CA 0.058 56.258 56.287 -0.145 0.000 0.860 846 K CB 0.538 32.972 32.500 -0.110 0.000 1.498 846 K HN -0.122 nan 8.250 nan 0.000 0.390 847 A N 1.663 124.342 122.820 -0.236 0.000 1.903 847 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 847 A C 2.279 179.519 177.584 -0.573 0.000 1.191 847 A CA 3.726 55.515 52.037 -0.414 0.000 0.638 847 A CB -1.316 17.479 19.000 -0.342 0.000 0.823 847 A HN 1.178 nan 8.150 nan 0.000 0.451 848 A N 0.094 122.740 122.820 -0.290 0.000 1.927 848 A HA -0.306 4.014 4.320 -0.000 0.000 0.220 848 A C 1.710 179.232 177.584 -0.102 0.000 1.185 848 A CA 2.221 54.183 52.037 -0.126 0.000 0.639 848 A CB -0.795 18.184 19.000 -0.034 0.000 0.820 848 A HN 0.580 nan 8.150 nan 0.000 0.451 849 D N -0.277 120.050 120.400 -0.122 0.000 2.144 849 D HA -0.089 4.551 4.640 -0.000 0.000 0.199 849 D C 2.050 178.307 176.300 -0.072 0.000 0.984 849 D CA 1.472 55.430 54.000 -0.070 0.000 0.834 849 D CB -0.626 40.136 40.800 -0.063 0.000 0.955 849 D HN 0.316 nan 8.370 nan 0.000 0.465 850 V N 1.501 121.317 119.914 -0.163 0.000 2.343 850 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 850 V C 2.236 178.332 176.094 0.003 0.000 1.051 850 V CA 1.519 63.749 62.300 -0.117 0.000 1.036 850 V CB -0.690 31.019 31.823 -0.190 0.000 0.654 850 V HN 0.206 nan 8.190 nan 0.000 0.451 851 H N -0.054 119.003 119.070 -0.023 0.000 2.387 851 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 851 H C 2.430 177.753 175.328 -0.009 0.000 1.090 851 H CA 1.424 57.462 56.048 -0.017 0.000 1.332 851 H CB -0.257 29.493 29.762 -0.019 0.000 1.386 851 H HN 0.362 nan 8.280 nan 0.000 0.516 852 E N 0.502 120.768 120.200 0.110 0.000 2.085 852 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 852 E C 2.517 179.146 176.600 0.049 0.000 0.994 852 E CA 0.587 57.026 56.400 0.064 0.000 0.801 852 E CB -0.213 29.512 29.700 0.041 0.000 0.743 852 E HN 0.233 nan 8.360 nan 0.000 0.453 853 V N 0.830 120.769 119.914 0.043 0.000 2.427 853 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 853 V C 2.496 178.609 176.094 0.032 0.000 1.051 853 V CA 1.664 63.983 62.300 0.031 0.000 1.048 853 V CB -0.448 31.390 31.823 0.025 0.000 0.666 853 V HN 0.106 nan 8.190 nan 0.000 0.456 854 R N 0.958 121.489 120.500 0.051 0.000 2.083 854 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 854 R C 2.306 178.623 176.300 0.028 0.000 1.137 854 R CA 1.935 58.062 56.100 0.045 0.000 0.951 854 R CB -0.569 29.775 30.300 0.074 0.000 0.851 854 R HN 0.446 nan 8.270 nan 0.000 0.434 855 K N -0.215 120.204 120.400 0.032 0.000 2.044 855 K HA -0.149 4.171 4.320 -0.000 0.000 0.210 855 K C 1.868 178.477 176.600 0.016 0.000 1.049 855 K CA 1.714 58.014 56.287 0.020 0.000 0.927 855 K CB -0.140 32.376 32.500 0.027 0.000 0.713 855 K HN 0.138 nan 8.250 nan 0.000 0.443 856 I N 1.474 122.055 120.570 0.018 0.000 2.179 856 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 856 I C 2.271 178.391 176.117 0.005 0.000 1.088 856 I CA 1.361 62.669 61.300 0.013 0.000 1.357 856 I CB -1.113 36.895 38.000 0.013 0.000 1.051 856 I HN 0.228 nan 8.210 nan 0.000 0.409 857 L N 0.229 121.453 121.223 0.001 0.000 2.131 857 L HA -0.010 4.330 4.340 -0.000 0.000 0.210 857 L C 1.612 178.480 176.870 -0.004 0.000 1.092 857 L CA 0.744 55.580 54.840 -0.007 0.000 0.759 857 L CB -1.130 40.924 42.059 -0.008 0.000 0.903 857 L HN 0.459 nan 8.230 nan 0.000 0.435 858 G N 0.526 109.327 108.800 0.001 0.000 2.649 858 G HA2 -0.438 3.522 3.960 -0.000 0.000 0.281 858 G HA3 -0.438 3.522 3.960 -0.000 0.000 0.281 858 G C 0.589 175.488 174.900 -0.001 0.000 1.325 858 G CA 0.657 45.757 45.100 0.000 0.000 0.916 858 G HN 0.345 nan 8.290 nan 0.000 0.562 859 E N -0.229 119.970 120.200 -0.002 0.000 2.171 859 E HA -0.143 4.207 4.350 -0.000 0.000 0.197 859 E C 2.369 178.967 176.600 -0.003 0.000 0.997 859 E CA 2.287 58.686 56.400 -0.002 0.000 0.810 859 E CB -0.184 29.514 29.700 -0.002 0.000 0.738 859 E HN 0.573 nan 8.360 nan 0.000 0.467 860 K N -1.276 119.121 120.400 -0.005 0.000 2.148 860 K HA -0.025 4.295 4.320 -0.000 0.000 0.204 860 K C 1.326 177.919 176.600 -0.012 0.000 1.050 860 K CA 1.239 57.520 56.287 -0.009 0.000 0.942 860 K CB -0.142 32.351 32.500 -0.012 0.000 0.724 860 K HN 0.206 nan 8.250 nan 0.000 0.446 861 G N 1.075 109.868 108.800 -0.012 0.000 3.707 861 G HA2 0.009 3.969 3.960 -0.000 0.000 0.286 861 G HA3 0.009 3.969 3.960 -0.000 0.000 0.286 861 G C 0.621 175.520 174.900 -0.002 0.000 1.112 861 G CA -0.400 44.692 45.100 -0.013 0.000 0.861 861 G HN 0.329 nan 8.290 nan 0.000 0.534 862 K N -0.425 119.976 120.400 0.002 0.000 2.360 862 K HA -0.042 4.278 4.320 -0.000 0.000 0.201 862 K C 1.126 177.736 176.600 0.017 0.000 1.046 862 K CA 1.272 57.565 56.287 0.009 0.000 0.945 862 K CB -0.164 32.340 32.500 0.007 0.000 0.750 862 K HN 0.269 nan 8.250 nan 0.000 0.464 863 N N 0.461 119.172 118.700 0.019 0.000 2.270 863 N HA 0.199 4.939 4.740 -0.000 0.000 0.198 863 N C -0.517 175.015 175.510 0.036 0.000 1.117 863 N CA -0.279 52.791 53.050 0.032 0.000 0.845 863 N CB 0.302 38.809 38.487 0.034 0.000 0.980 863 N HN 0.123 nan 8.380 nan 0.000 0.486 864 I N 1.557 122.141 120.570 0.024 0.000 2.395 864 I HA 0.089 4.259 4.170 -0.000 0.000 0.289 864 I C 0.106 176.246 176.117 0.038 0.000 1.023 864 I CA -0.619 60.695 61.300 0.023 0.000 1.350 864 I CB 0.797 38.795 38.000 -0.003 0.000 1.409 864 I HN -0.113 nan 8.210 nan 0.000 0.507 865 K N 7.552 127.986 120.400 0.056 0.000 2.312 865 K HA 0.425 4.745 4.320 -0.000 0.000 0.287 865 K C -0.458 176.189 176.600 0.079 0.000 1.062 865 K CA -0.123 56.206 56.287 0.069 0.000 0.934 865 K CB 0.822 33.375 32.500 0.088 0.000 1.027 865 K HN 0.490 nan 8.250 nan 0.000 0.478 866 I N 4.934 125.540 120.570 0.060 0.000 2.312 866 I HA 0.159 4.329 4.170 -0.000 0.000 0.290 866 I C -0.271 175.879 176.117 0.055 0.000 1.008 866 I CA -0.850 60.489 61.300 0.064 0.000 1.226 866 I CB 0.819 38.842 38.000 0.039 0.000 1.371 866 I HN 0.192 nan 8.210 nan 0.000 0.468 867 I N 5.555 126.187 120.570 0.103 0.000 2.339 867 I HA 0.264 4.434 4.170 -0.000 0.000 0.290 867 I C 0.320 176.450 176.117 0.021 0.000 0.994 867 I CA -0.550 60.764 61.300 0.024 0.000 1.191 867 I CB 1.276 39.260 38.000 -0.028 0.000 1.343 867 I HN 0.406 nan 8.210 nan 0.000 0.458 868 S N 6.218 121.905 115.700 -0.022 0.000 2.554 868 S HA 0.448 4.918 4.470 -0.000 0.000 0.278 868 S C 0.007 174.600 174.600 -0.011 0.000 1.242 868 S CA -0.867 57.326 58.200 -0.011 0.000 1.051 868 S CB 0.953 64.129 63.200 -0.040 0.000 0.986 868 S HN 0.334 nan 8.310 nan 0.000 0.502 869 K N 2.455 122.863 120.400 0.014 0.000 2.253 869 K HA 0.357 4.677 4.320 -0.000 0.000 0.277 869 K C -0.705 175.904 176.600 0.015 0.000 1.053 869 K CA -0.470 55.827 56.287 0.017 0.000 0.892 869 K CB 0.613 33.147 32.500 0.056 0.000 1.102 869 K HN 0.428 nan 8.250 nan 0.000 0.469 870 I N 4.075 124.650 120.570 0.009 0.000 2.322 870 I HA 0.032 4.202 4.170 -0.000 0.000 0.292 870 I C 0.582 176.693 176.117 -0.010 0.000 1.060 870 I CA 0.420 61.718 61.300 -0.002 0.000 1.309 870 I CB 0.227 38.233 38.000 0.010 0.000 1.415 870 I HN 0.767 nan 8.210 nan 0.000 0.492 871 E N 5.112 125.310 120.200 -0.003 0.000 2.759 871 E HA 0.132 4.482 4.350 -0.000 0.000 0.220 871 E C -0.327 176.314 176.600 0.069 0.000 0.974 871 E CA -0.280 56.155 56.400 0.058 0.000 1.148 871 E CB 0.620 30.423 29.700 0.172 0.000 1.059 871 E HN 0.747 nan 8.360 nan 0.000 0.493 872 N N -0.657 118.037 118.700 -0.010 0.000 3.116 872 N HA 0.029 4.769 4.740 -0.000 0.000 0.244 872 N C 0.248 175.758 175.510 0.000 0.000 1.485 872 N CA -0.498 52.576 53.050 0.040 0.000 0.884 872 N CB 0.519 39.062 38.487 0.093 0.000 1.415 872 N HN -0.232 nan 8.380 nan 0.000 0.524 873 H N 0.243 119.291 119.070 -0.037 0.000 2.289 873 H HA -0.105 4.451 4.556 -0.000 0.000 0.294 873 H C 1.478 176.768 175.328 -0.063 0.000 1.095 873 H CA 2.587 58.607 56.048 -0.047 0.000 1.256 873 H CB -0.050 29.691 29.762 -0.037 0.000 1.359 873 H HN 0.769 nan 8.280 nan 0.000 0.487 874 E N -0.058 120.181 120.200 0.066 0.000 2.048 874 E HA -0.225 4.125 4.350 -0.000 0.000 0.202 874 E C 2.635 179.208 176.600 -0.045 0.000 1.021 874 E CA 1.205 57.592 56.400 -0.021 0.000 0.825 874 E CB -0.462 29.188 29.700 -0.084 0.000 0.756 874 E HN 0.573 nan 8.360 nan 0.000 0.454 875 G N 0.276 109.022 108.800 -0.091 0.000 2.505 875 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.220 875 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.220 875 G C 1.633 176.544 174.900 0.020 0.000 1.145 875 G CA 1.309 46.368 45.100 -0.069 0.000 0.761 875 G HN 0.259 nan 8.290 nan 0.000 0.571 876 V N 0.781 120.686 119.914 -0.016 0.000 2.379 876 V HA -0.120 4.000 4.120 -0.000 0.000 0.245 876 V C 2.862 178.969 176.094 0.022 0.000 1.044 876 V CA 1.953 64.236 62.300 -0.027 0.000 1.036 876 V CB -0.467 31.287 31.823 -0.116 0.000 0.664 876 V HN 0.358 nan 8.190 nan 0.000 0.453 877 R N 0.533 121.041 120.500 0.014 0.000 2.148 877 R HA -0.003 4.337 4.340 -0.000 0.000 0.227 877 R C 1.501 177.818 176.300 0.029 0.000 1.103 877 R CA 0.848 56.959 56.100 0.019 0.000 0.983 877 R CB -0.212 30.097 30.300 0.014 0.000 0.874 877 R HN 0.470 nan 8.270 nan 0.000 0.451 878 R N -0.012 120.502 120.500 0.024 0.000 2.696 878 R HA 0.104 4.444 4.340 -0.000 0.000 0.355 878 R C 0.631 176.927 176.300 -0.006 0.000 1.138 878 R CA -0.287 55.809 56.100 -0.006 0.000 1.059 878 R CB 0.067 30.339 30.300 -0.047 0.000 1.380 878 R HN 0.110 nan 8.270 nan 0.000 0.578 879 F N 2.101 122.001 119.950 -0.084 0.000 2.134 879 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 879 F C 1.497 177.248 175.800 -0.081 0.000 1.097 879 F CA 1.715 59.662 58.000 -0.088 0.000 1.264 879 F CB 0.176 39.123 39.000 -0.088 0.000 1.001 879 F HN -0.010 nan 8.300 nan 0.000 0.479 880 D N 0.532 120.843 120.400 -0.148 0.000 2.116 880 D HA -0.247 4.393 4.640 -0.000 0.000 0.193 880 D C 2.164 178.292 176.300 -0.286 0.000 0.998 880 D CA 2.032 55.898 54.000 -0.224 0.000 0.836 880 D CB -0.491 40.275 40.800 -0.057 0.000 0.951 880 D HN 0.686 nan 8.370 nan 0.000 0.449 881 E N 0.426 120.502 120.200 -0.207 0.000 2.072 881 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 881 E C 2.339 178.791 176.600 -0.247 0.000 0.985 881 E CA 0.666 56.957 56.400 -0.182 0.000 0.801 881 E CB -0.575 29.048 29.700 -0.129 0.000 0.750 881 E HN 0.251 nan 8.360 nan 0.000 0.452 882 I N 1.329 121.721 120.570 -0.297 0.000 2.194 882 I HA -0.279 3.891 4.170 -0.000 0.000 0.246 882 I C 2.668 178.561 176.117 -0.374 0.000 1.093 882 I CA 1.080 62.190 61.300 -0.317 0.000 1.355 882 I CB -0.308 37.526 38.000 -0.276 0.000 1.046 882 I HN 0.212 nan 8.210 nan 0.000 0.413 883 L N 0.487 121.350 121.223 -0.600 0.000 1.994 883 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 883 L C 2.761 179.454 176.870 -0.293 0.000 1.071 883 L CA 1.750 56.246 54.840 -0.574 0.000 0.745 883 L CB -0.504 41.056 42.059 -0.831 0.000 0.892 883 L HN 0.335 nan 8.230 nan 0.000 0.431 884 E N 0.303 120.355 120.200 -0.246 0.000 2.085 884 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 884 E C 1.917 178.469 176.600 -0.079 0.000 0.994 884 E CA 1.638 57.958 56.400 -0.133 0.000 0.801 884 E CB 0.021 29.660 29.700 -0.102 0.000 0.743 884 E HN 0.560 nan 8.360 nan 0.000 0.453 885 A N 0.458 123.221 122.820 -0.095 0.000 2.066 885 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 885 A C 1.447 179.013 177.584 -0.029 0.000 1.157 885 A CA 0.627 52.656 52.037 -0.012 0.000 0.670 885 A CB -0.017 18.887 19.000 -0.159 0.000 0.804 885 A HN 0.206 nan 8.150 nan 0.000 0.453 886 S N -0.222 115.421 115.700 -0.094 0.000 2.693 886 S HA 0.332 4.802 4.470 -0.000 0.000 0.276 886 S C 0.035 174.604 174.600 -0.052 0.000 1.192 886 S CA -0.506 57.651 58.200 -0.071 0.000 0.994 886 S CB 0.981 64.124 63.200 -0.096 0.000 1.012 886 S HN 0.308 nan 8.310 nan 0.000 0.550 887 D N 0.280 120.659 120.400 -0.034 0.000 2.346 887 D HA 0.312 4.952 4.640 -0.000 0.000 0.206 887 D C 0.729 176.989 176.300 -0.066 0.000 1.001 887 D CA 0.624 54.608 54.000 -0.027 0.000 0.871 887 D CB 0.443 41.244 40.800 0.001 0.000 0.943 887 D HN 0.695 nan 8.370 nan 0.000 0.518 888 G N -0.294 108.458 108.800 -0.081 0.000 2.368 888 G HA2 0.411 4.371 3.960 -0.000 0.000 0.293 888 G HA3 0.411 4.371 3.960 -0.000 0.000 0.293 888 G C -1.758 173.084 174.900 -0.097 0.000 1.467 888 G CA -0.655 44.376 45.100 -0.116 0.000 0.804 888 G HN -0.094 nan 8.290 nan 0.000 0.535 889 I N 0.376 120.887 120.570 -0.098 0.000 2.785 889 I HA 0.627 4.797 4.170 -0.000 0.000 0.302 889 I C -0.295 175.745 176.117 -0.128 0.000 1.069 889 I CA -0.917 60.350 61.300 -0.054 0.000 1.045 889 I CB 2.061 40.119 38.000 0.096 0.000 1.236 889 I HN 0.687 nan 8.210 nan 0.000 0.429 890 M N 5.219 124.747 119.600 -0.119 0.000 2.142 890 M HA 0.424 4.904 4.480 -0.000 0.000 0.299 890 M C -1.522 174.723 176.300 -0.091 0.000 0.960 890 M CA -0.661 54.539 55.300 -0.165 0.000 0.920 890 M CB 1.531 33.977 32.600 -0.257 0.000 1.541 890 M HN 0.265 nan 8.290 nan 0.000 0.429 891 V N 5.055 124.913 119.914 -0.093 0.000 2.326 891 V HA 0.247 4.367 4.120 -0.000 0.000 0.249 891 V C 0.778 176.840 176.094 -0.053 0.000 1.114 891 V CA -0.331 61.922 62.300 -0.078 0.000 1.028 891 V CB -0.147 31.621 31.823 -0.093 0.000 1.170 891 V HN 0.869 nan 8.190 nan 0.000 0.494 892 A N 5.647 128.450 122.820 -0.029 0.000 2.906 892 A HA 0.261 4.581 4.320 -0.000 0.000 0.289 892 A C 1.577 179.166 177.584 0.008 0.000 1.675 892 A CA -0.257 51.782 52.037 0.003 0.000 1.372 892 A CB -0.426 18.593 19.000 0.033 0.000 1.091 892 A HN 0.855 nan 8.150 nan 0.000 0.579 893 R N 1.601 122.101 120.500 0.001 0.000 2.105 893 R HA -0.156 4.183 4.340 -0.000 0.000 0.239 893 R C 2.365 178.677 176.300 0.021 0.000 1.135 893 R CA 1.439 57.542 56.100 0.004 0.000 0.967 893 R CB -0.298 30.004 30.300 0.003 0.000 0.861 893 R HN 0.719 nan 8.270 nan 0.000 0.442 894 G N 1.742 110.561 108.800 0.032 0.000 2.721 894 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.218 894 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.218 894 G C 0.974 175.904 174.900 0.051 0.000 1.265 894 G CA 1.431 46.556 45.100 0.042 0.000 0.796 894 G HN 0.254 nan 8.290 nan 0.000 0.620 895 D N -0.019 120.420 120.400 0.065 0.000 2.144 895 D HA -0.058 4.582 4.640 -0.000 0.000 0.200 895 D C 2.493 178.846 176.300 0.090 0.000 0.978 895 D CA 0.543 54.596 54.000 0.089 0.000 0.833 895 D CB -0.193 40.677 40.800 0.116 0.000 0.961 895 D HN 0.164 nan 8.370 nan 0.000 0.470 896 L N 1.322 122.580 121.223 0.058 0.000 2.013 896 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 896 L C 2.264 179.143 176.870 0.015 0.000 1.073 896 L CA 2.035 56.888 54.840 0.021 0.000 0.753 896 L CB -1.026 41.023 42.059 -0.016 0.000 0.890 896 L HN 0.033 nan 8.230 nan 0.000 0.432 897 G N -1.230 107.585 108.800 0.025 0.000 2.471 897 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.219 897 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.219 897 G C 1.585 176.517 174.900 0.054 0.000 1.125 897 G CA 0.951 46.068 45.100 0.028 0.000 0.775 897 G HN 0.477 nan 8.290 nan 0.000 0.548 898 I N -0.155 120.463 120.570 0.080 0.000 2.429 898 I HA 0.020 4.190 4.170 -0.000 0.000 0.247 898 I C 2.604 178.864 176.117 0.239 0.000 1.099 898 I CA 0.495 61.865 61.300 0.117 0.000 1.422 898 I CB -0.005 38.061 38.000 0.110 0.000 1.112 898 I HN 0.004 nan 8.210 nan 0.000 0.430 899 E N 1.371 121.699 120.200 0.214 0.000 2.023 899 E HA -0.138 4.212 4.350 -0.000 0.000 0.196 899 E C 1.029 177.819 176.600 0.316 0.000 1.003 899 E CA 1.259 57.820 56.400 0.268 0.000 0.809 899 E CB -0.369 29.467 29.700 0.226 0.000 0.755 899 E HN 0.512 nan 8.360 nan 0.000 0.449 900 I N -1.147 119.478 120.570 0.092 0.000 2.793 900 I HA 0.367 4.537 4.170 -0.000 0.000 0.313 900 I C -2.500 173.647 176.117 0.050 0.000 0.998 900 I CA -2.803 58.474 61.300 -0.037 0.000 1.140 900 I CB 1.432 39.171 38.000 -0.434 0.000 1.327 900 I HN -0.284 nan 8.210 nan 0.000 0.491 901 P HA 0.034 nan 4.420 nan 0.000 0.265 901 P C 0.309 177.628 177.300 0.032 0.000 1.193 901 P CA 0.103 63.242 63.100 0.063 0.000 0.765 901 P CB 0.946 32.685 31.700 0.065 0.000 0.823 902 A N 4.416 127.261 122.820 0.042 0.000 2.024 902 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 902 A C 1.741 179.366 177.584 0.069 0.000 1.164 902 A CA 1.539 53.600 52.037 0.041 0.000 0.643 902 A CB -0.849 18.171 19.000 0.033 0.000 0.806 902 A HN 0.669 nan 8.150 nan 0.000 0.451 903 E N 0.236 120.484 120.200 0.080 0.000 2.482 903 E HA -0.093 4.257 4.350 -0.000 0.000 0.196 903 E C 1.195 177.901 176.600 0.177 0.000 1.047 903 E CA 0.989 57.476 56.400 0.144 0.000 0.869 903 E CB -0.170 29.601 29.700 0.118 0.000 0.836 903 E HN 0.659 nan 8.360 nan 0.000 0.520 904 K N 0.454 120.864 120.400 0.017 0.000 2.348 904 K HA 0.123 4.443 4.320 -0.000 0.000 0.194 904 K C 2.057 178.489 176.600 -0.280 0.000 1.052 904 K CA 0.415 56.598 56.287 -0.174 0.000 1.004 904 K CB 0.446 32.855 32.500 -0.153 0.000 0.873 904 K HN -0.105 nan 8.250 nan 0.000 0.523 905 V N 2.434 122.285 119.914 -0.105 0.000 2.313 905 V HA -0.342 3.778 4.120 -0.000 0.000 0.253 905 V C 2.172 178.198 176.094 -0.112 0.000 1.070 905 V CA 2.356 64.604 62.300 -0.087 0.000 1.057 905 V CB -0.810 31.011 31.823 -0.004 0.000 0.653 905 V HN 0.362 nan 8.190 nan 0.000 0.450 906 F N -0.021 119.896 119.950 -0.055 0.000 2.134 906 F HA -0.121 4.406 4.527 -0.000 0.000 0.299 906 F C 2.042 177.801 175.800 -0.069 0.000 1.097 906 F CA 1.522 59.490 58.000 -0.054 0.000 1.264 906 F CB -1.083 37.895 39.000 -0.036 0.000 1.001 906 F HN 0.078 nan 8.300 nan 0.000 0.479 907 L N 0.876 121.413 121.223 -1.143 0.000 2.012 907 L HA -0.183 4.156 4.340 -0.000 0.000 0.210 907 L C 2.992 179.623 176.870 -0.399 0.000 1.073 907 L CA 1.411 55.787 54.840 -0.774 0.000 0.748 907 L CB -1.161 40.446 42.059 -0.753 0.000 0.891 907 L HN 0.398 nan 8.230 nan 0.000 0.431 908 A N -0.897 121.707 122.820 -0.361 0.000 1.968 908 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 908 A C 2.260 179.687 177.584 -0.262 0.000 1.169 908 A CA 1.383 53.245 52.037 -0.292 0.000 0.638 908 A CB -0.432 18.410 19.000 -0.263 0.000 0.812 908 A HN 0.502 nan 8.150 nan 0.000 0.446 909 Q N -0.043 119.639 119.800 -0.196 0.000 2.079 909 Q HA -0.177 4.163 4.340 -0.000 0.000 0.200 909 Q C 1.747 177.667 176.000 -0.134 0.000 0.974 909 Q CA 1.798 57.517 55.803 -0.140 0.000 0.840 909 Q CB -0.094 28.610 28.738 -0.057 0.000 0.898 909 Q HN 0.643 nan 8.270 nan 0.000 0.430 910 K N -0.066 120.268 120.400 -0.110 0.000 2.155 910 K HA -0.057 4.263 4.320 -0.000 0.000 0.203 910 K C 2.099 178.616 176.600 -0.139 0.000 1.052 910 K CA 0.981 57.216 56.287 -0.087 0.000 0.948 910 K CB -0.115 32.373 32.500 -0.020 0.000 0.728 910 K HN 0.251 nan 8.250 nan 0.000 0.448 911 M N 1.161 120.643 119.600 -0.197 0.000 2.086 911 M HA -0.144 4.336 4.480 -0.000 0.000 0.261 911 M C 1.858 177.974 176.300 -0.308 0.000 1.067 911 M CA 1.809 56.972 55.300 -0.228 0.000 1.116 911 M CB -0.253 32.193 32.600 -0.256 0.000 1.348 911 M HN 0.131 nan 8.290 nan 0.000 0.407 912 I N 0.003 120.309 120.570 -0.439 0.000 2.252 912 I HA -0.320 3.850 4.170 -0.000 0.000 0.245 912 I C 2.381 178.345 176.117 -0.256 0.000 1.102 912 I CA 1.062 62.000 61.300 -0.603 0.000 1.385 912 I CB -0.391 37.224 38.000 -0.641 0.000 1.064 912 I HN 0.267 nan 8.210 nan 0.000 0.414 913 I N 0.718 121.181 120.570 -0.179 0.000 2.226 913 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 913 I C 2.676 178.746 176.117 -0.079 0.000 1.100 913 I CA 1.632 62.869 61.300 -0.104 0.000 1.374 913 I CB -0.866 37.081 38.000 -0.087 0.000 1.057 913 I HN 0.262 nan 8.210 nan 0.000 0.413 914 G N 0.621 109.368 108.800 -0.089 0.000 2.418 914 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 914 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 914 G C 1.826 176.699 174.900 -0.045 0.000 1.158 914 G CA 0.340 45.398 45.100 -0.071 0.000 0.771 914 G HN 0.282 nan 8.290 nan 0.000 0.545 915 R N -0.559 119.928 120.500 -0.021 0.000 2.075 915 R HA -0.038 4.302 4.340 -0.000 0.000 0.232 915 R C 2.678 179.026 176.300 0.080 0.000 1.126 915 R CA 1.310 57.450 56.100 0.068 0.000 0.963 915 R CB -0.622 29.803 30.300 0.209 0.000 0.858 915 R HN 0.393 nan 8.270 nan 0.000 0.435 916 C N 0.433 119.784 119.300 0.085 0.000 2.440 916 C HA -0.019 4.441 4.460 -0.000 0.000 0.278 916 C C 2.216 177.191 174.990 -0.024 0.000 1.295 916 C CA 0.486 59.530 59.018 0.043 0.000 1.738 916 C CB -1.200 26.559 27.740 0.031 0.000 1.987 916 C HN 0.557 nan 8.230 nan 0.000 0.492 917 N N 0.219 118.894 118.700 -0.042 0.000 2.166 917 N HA -0.160 4.580 4.740 -0.000 0.000 0.186 917 N C 2.067 177.520 175.510 -0.095 0.000 1.019 917 N CA 0.797 53.803 53.050 -0.072 0.000 0.856 917 N CB -0.204 38.239 38.487 -0.073 0.000 0.993 917 N HN 0.518 nan 8.380 nan 0.000 0.426 918 R N 0.972 121.430 120.500 -0.070 0.000 2.075 918 R HA -0.025 4.315 4.340 -0.000 0.000 0.232 918 R C 1.794 178.047 176.300 -0.077 0.000 1.126 918 R CA 1.359 57.414 56.100 -0.074 0.000 0.963 918 R CB -0.056 30.216 30.300 -0.047 0.000 0.858 918 R HN 0.111 nan 8.270 nan 0.000 0.435 919 A N -0.539 122.247 122.820 -0.057 0.000 2.218 919 A HA 0.220 4.540 4.320 -0.000 0.000 0.209 919 A C 1.258 178.804 177.584 -0.062 0.000 1.168 919 A CA 0.650 52.655 52.037 -0.054 0.000 0.804 919 A CB -0.089 18.885 19.000 -0.044 0.000 0.834 919 A HN 0.562 nan 8.150 nan 0.000 0.482 920 G N -0.705 108.045 108.800 -0.082 0.000 2.176 920 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.252 920 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.252 920 G C 0.092 174.986 174.900 -0.010 0.000 1.024 920 G CA 0.780 45.837 45.100 -0.072 0.000 0.755 920 G HN 0.590 nan 8.290 nan 0.000 0.507 921 K N 0.579 120.957 120.400 -0.036 0.000 2.164 921 K HA 0.581 4.901 4.320 -0.000 0.000 0.258 921 K C -2.324 174.203 176.600 -0.123 0.000 0.951 921 K CA -2.291 53.961 56.287 -0.059 0.000 0.844 921 K CB 1.818 34.280 32.500 -0.063 0.000 1.099 921 K HN -0.058 nan 8.250 nan 0.000 0.435 922 P HA 0.002 nan 4.420 nan 0.000 0.268 922 P C -1.194 175.976 177.300 -0.217 0.000 1.205 922 P CA -0.316 62.574 63.100 -0.350 0.000 0.771 922 P CB 0.848 32.170 31.700 -0.629 0.000 0.858 923 V N 4.872 124.680 119.914 -0.178 0.000 2.789 923 V HA 0.534 4.654 4.120 -0.000 0.000 0.311 923 V C -0.829 175.176 176.094 -0.148 0.000 1.073 923 V CA -0.906 61.312 62.300 -0.136 0.000 0.921 923 V CB 1.735 33.507 31.823 -0.085 0.000 1.009 923 V HN 0.292 nan 8.190 nan 0.000 0.426 924 I N 5.562 126.034 120.570 -0.163 0.000 2.465 924 I HA 0.432 4.602 4.170 -0.000 0.000 0.291 924 I C -0.454 175.589 176.117 -0.123 0.000 1.014 924 I CA -0.408 60.793 61.300 -0.165 0.000 1.093 924 I CB 1.735 39.578 38.000 -0.263 0.000 1.267 924 I HN 0.607 nan 8.210 nan 0.000 0.431 925 C N 6.636 125.884 119.300 -0.087 0.000 2.265 925 C HA 0.875 5.335 4.460 -0.000 0.000 0.332 925 C C 0.406 175.369 174.990 -0.046 0.000 1.248 925 C CA -0.033 58.949 59.018 -0.060 0.000 1.727 925 C CB -0.812 26.904 27.740 -0.039 0.000 2.348 925 C HN 0.867 nan 8.230 nan 0.000 0.519 926 A N 4.449 127.246 122.820 -0.038 0.000 2.527 926 A HA 0.936 5.256 4.320 -0.000 0.000 0.293 926 A C -0.177 177.410 177.584 0.004 0.000 1.117 926 A CA -0.207 51.821 52.037 -0.014 0.000 0.723 926 A CB 1.097 20.085 19.000 -0.019 0.000 1.313 926 A HN 1.316 nan 8.150 nan 0.000 0.411 927 T N 1.200 115.767 114.554 0.021 0.000 0.643 927 T HA -0.074 4.276 4.350 -0.000 0.000 0.764 927 T C 0.075 174.791 174.700 0.027 0.000 0.990 927 T CA 0.718 62.836 62.100 0.030 0.000 4.027 927 T CB -1.364 67.523 68.868 0.031 0.000 2.276 927 T HN 1.500 nan 8.240 nan 0.000 0.395 928 Q N 0.062 119.882 119.800 0.033 0.000 2.460 928 Q HA -0.264 4.076 4.340 -0.000 0.000 0.248 928 Q C 1.655 177.670 176.000 0.026 0.000 0.847 928 Q CA 1.509 57.330 55.803 0.030 0.000 1.214 928 Q CB -1.095 27.659 28.738 0.028 0.000 1.523 928 Q HN 0.852 nan 8.270 nan 0.000 0.602 929 M N -0.414 119.201 119.600 0.025 0.000 2.080 929 M HA -0.165 4.315 4.480 -0.000 0.000 0.260 929 M C 1.330 177.643 176.300 0.021 0.000 1.068 929 M CA 1.725 57.037 55.300 0.021 0.000 1.109 929 M CB -0.024 32.587 32.600 0.020 0.000 1.342 929 M HN 0.265 nan 8.290 nan 0.000 0.405 930 L N -0.877 120.362 121.223 0.027 0.000 3.255 930 L HA 0.166 4.506 4.340 -0.000 0.000 0.293 930 L C 1.174 178.064 176.870 0.034 0.000 1.302 930 L CA -0.446 54.410 54.840 0.027 0.000 0.977 930 L CB 0.227 42.305 42.059 0.031 0.000 1.390 930 L HN 0.069 nan 8.230 nan 0.000 0.588 931 E N 1.759 121.979 120.200 0.032 0.000 2.095 931 E HA -0.326 4.024 4.350 -0.000 0.000 0.212 931 E C 2.204 178.829 176.600 0.041 0.000 1.044 931 E CA 2.554 58.976 56.400 0.037 0.000 0.857 931 E CB -0.063 29.656 29.700 0.031 0.000 0.764 931 E HN 0.505 nan 8.360 nan 0.000 0.462 932 S N -0.208 115.511 115.700 0.032 0.000 2.409 932 S HA -0.312 4.158 4.470 -0.000 0.000 0.237 932 S C 1.984 176.612 174.600 0.046 0.000 1.060 932 S CA 2.085 60.304 58.200 0.031 0.000 1.052 932 S CB -0.645 62.564 63.200 0.015 0.000 0.871 932 S HN 0.419 nan 8.310 nan 0.000 0.465 933 M N 0.470 120.099 119.600 0.049 0.000 2.706 933 M HA 0.117 4.597 4.480 -0.000 0.000 0.251 933 M C 1.640 178.028 176.300 0.147 0.000 1.070 933 M CA 0.765 56.111 55.300 0.076 0.000 1.073 933 M CB -0.652 31.981 32.600 0.055 0.000 1.449 933 M HN 0.373 nan 8.290 nan 0.000 0.531 934 I N 0.064 120.702 120.570 0.113 0.000 2.394 934 I HA -0.255 3.915 4.170 -0.000 0.000 0.251 934 I C 2.169 178.374 176.117 0.147 0.000 1.136 934 I CA 1.047 62.414 61.300 0.113 0.000 1.425 934 I CB -0.151 37.892 38.000 0.071 0.000 1.079 934 I HN 0.194 nan 8.210 nan 0.000 0.425 935 K N 0.562 121.057 120.400 0.158 0.000 2.365 935 K HA 0.236 4.556 4.320 -0.000 0.000 0.195 935 K C 0.266 177.047 176.600 0.303 0.000 1.079 935 K CA 0.515 56.912 56.287 0.184 0.000 0.979 935 K CB 0.258 32.820 32.500 0.104 0.000 0.929 935 K HN 0.242 nan 8.250 nan 0.000 0.523 936 K N 1.442 121.949 120.400 0.179 0.000 2.208 936 K HA 0.283 4.603 4.320 -0.000 0.000 0.247 936 K C -2.185 174.159 176.600 -0.427 0.000 0.953 936 K CA -1.937 54.330 56.287 -0.034 0.000 0.837 936 K CB 1.595 34.072 32.500 -0.039 0.000 1.131 936 K HN -0.285 nan 8.250 nan 0.000 0.431 937 P HA 0.006 nan 4.420 nan 0.000 0.245 937 P C -0.531 176.544 177.300 -0.375 0.000 1.206 937 P CA 0.535 63.059 63.100 -0.960 0.000 0.781 937 P CB 0.493 31.716 31.700 -0.795 0.000 0.994 938 R N 0.242 120.602 120.500 -0.234 0.000 2.564 938 R HA 0.427 4.767 4.340 -0.000 0.000 0.284 938 R C -2.647 173.605 176.300 -0.079 0.000 1.031 938 R CA -1.944 54.083 56.100 -0.122 0.000 0.904 938 R CB 2.064 32.306 30.300 -0.097 0.000 1.199 938 R HN -0.039 nan 8.270 nan 0.000 0.443 939 P HA 0.090 nan 4.420 nan 0.000 0.297 939 P C -0.209 177.079 177.300 -0.020 0.000 1.303 939 P CA -0.369 62.717 63.100 -0.024 0.000 0.753 939 P CB 0.378 32.072 31.700 -0.011 0.000 1.281 940 T N -2.357 112.191 114.554 -0.011 0.000 2.824 940 T HA 0.270 4.620 4.350 -0.000 0.000 0.277 940 T C 1.387 176.081 174.700 -0.011 0.000 0.975 940 T CA -0.606 61.488 62.100 -0.010 0.000 0.966 940 T CB 0.557 69.421 68.868 -0.006 0.000 1.054 940 T HN 0.099 nan 8.240 nan 0.000 0.533 941 R N 0.786 121.279 120.500 -0.012 0.000 2.075 941 R HA 0.114 4.454 4.340 -0.000 0.000 0.232 941 R C 2.707 179.000 176.300 -0.012 0.000 1.126 941 R CA 1.530 57.622 56.100 -0.013 0.000 0.963 941 R CB -1.915 28.376 30.300 -0.015 0.000 0.858 941 R HN 0.838 nan 8.270 nan 0.000 0.435 942 A N 1.464 124.277 122.820 -0.012 0.000 1.940 942 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 942 A C 2.075 179.655 177.584 -0.006 0.000 1.176 942 A CA 1.583 53.613 52.037 -0.012 0.000 0.631 942 A CB -0.360 18.633 19.000 -0.012 0.000 0.814 942 A HN 0.391 nan 8.150 nan 0.000 0.446 943 E N -0.763 119.436 120.200 -0.003 0.000 2.051 943 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 943 E C 2.185 178.786 176.600 0.001 0.000 0.991 943 E CA 0.890 57.290 56.400 0.001 0.000 0.799 943 E CB -0.403 29.299 29.700 0.004 0.000 0.748 943 E HN 0.604 nan 8.360 nan 0.000 0.449 944 G N 0.444 109.242 108.800 -0.003 0.000 2.418 944 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.217 944 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.217 944 G C 1.626 176.525 174.900 -0.001 0.000 1.158 944 G CA 0.981 46.079 45.100 -0.003 0.000 0.771 944 G HN 0.280 nan 8.290 nan 0.000 0.545 945 S N 0.441 116.138 115.700 -0.004 0.000 2.353 945 S HA -0.205 4.265 4.470 -0.000 0.000 0.222 945 S C 2.104 176.705 174.600 0.001 0.000 1.035 945 S CA 2.113 60.311 58.200 -0.004 0.000 1.025 945 S CB -0.532 62.661 63.200 -0.012 0.000 0.902 945 S HN 0.408 nan 8.310 nan 0.000 0.440 946 D N 0.248 120.648 120.400 0.001 0.000 2.106 946 D HA -0.112 4.528 4.640 -0.000 0.000 0.191 946 D C 1.938 178.243 176.300 0.009 0.000 0.997 946 D CA 1.714 55.717 54.000 0.005 0.000 0.834 946 D CB -0.468 40.336 40.800 0.006 0.000 0.956 946 D HN 0.305 nan 8.370 nan 0.000 0.448 947 V N 0.771 120.691 119.914 0.009 0.000 2.287 947 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 947 V C 2.597 178.698 176.094 0.012 0.000 1.053 947 V CA 1.995 64.301 62.300 0.010 0.000 1.027 947 V CB -1.085 30.744 31.823 0.011 0.000 0.646 947 V HN 0.357 nan 8.190 nan 0.000 0.447 948 A N 0.281 123.109 122.820 0.013 0.000 1.902 948 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 948 A C 2.037 179.636 177.584 0.026 0.000 1.181 948 A CA 2.389 54.438 52.037 0.019 0.000 0.623 948 A CB -0.880 18.131 19.000 0.018 0.000 0.818 948 A HN 0.673 nan 8.150 nan 0.000 0.443 949 N N -0.053 118.661 118.700 0.023 0.000 2.244 949 N HA 0.006 4.746 4.740 -0.000 0.000 0.183 949 N C 1.873 177.394 175.510 0.020 0.000 1.016 949 N CA 1.051 54.117 53.050 0.027 0.000 0.866 949 N CB -0.247 38.254 38.487 0.023 0.000 0.980 949 N HN 0.502 nan 8.380 nan 0.000 0.430 950 A N 0.577 123.404 122.820 0.013 0.000 1.865 950 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 950 A C 2.342 179.926 177.584 -0.001 0.000 1.191 950 A CA 1.369 53.408 52.037 0.003 0.000 0.623 950 A CB -0.972 18.028 19.000 -0.000 0.000 0.826 950 A HN 0.103 nan 8.150 nan 0.000 0.444 951 V N -0.322 119.597 119.914 0.008 0.000 2.332 951 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 951 V C 2.520 178.621 176.094 0.012 0.000 1.055 951 V CA 1.890 64.197 62.300 0.013 0.000 1.038 951 V CB -0.773 31.065 31.823 0.024 0.000 0.651 951 V HN 0.475 nan 8.190 nan 0.000 0.450 952 L N -0.063 121.173 121.223 0.022 0.000 2.083 952 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 952 L C 2.149 179.015 176.870 -0.007 0.000 1.083 952 L CA 1.791 56.646 54.840 0.025 0.000 0.752 952 L CB -1.222 40.873 42.059 0.060 0.000 0.899 952 L HN 0.330 nan 8.230 nan 0.000 0.433 953 D N -0.307 120.087 120.400 -0.009 0.000 2.133 953 D HA -0.084 4.556 4.640 -0.000 0.000 0.195 953 D C 1.704 177.977 176.300 -0.044 0.000 0.997 953 D CA 1.666 55.650 54.000 -0.027 0.000 0.840 953 D CB -0.094 40.694 40.800 -0.021 0.000 0.947 953 D HN 0.429 nan 8.370 nan 0.000 0.452 954 G N -1.305 107.473 108.800 -0.037 0.000 2.174 954 G HA2 0.002 3.962 3.960 -0.000 0.000 0.140 954 G HA3 0.002 3.962 3.960 -0.000 0.000 0.140 954 G C 0.206 175.082 174.900 -0.039 0.000 1.031 954 G CA 0.103 45.178 45.100 -0.042 0.000 0.728 954 G HN 0.523 nan 8.290 nan 0.000 0.496 955 A N 0.349 123.148 122.820 -0.036 0.000 2.491 955 A HA 0.522 4.842 4.320 -0.000 0.000 0.261 955 A C 1.106 178.667 177.584 -0.037 0.000 1.101 955 A CA 1.124 53.135 52.037 -0.044 0.000 0.772 955 A CB 0.095 19.070 19.000 -0.041 0.000 1.043 955 A HN 0.303 nan 8.150 nan 0.000 0.501 956 D N 0.818 121.183 120.400 -0.057 0.000 2.117 956 D HA -0.021 4.619 4.640 -0.000 0.000 0.197 956 D C 0.217 176.492 176.300 -0.041 0.000 0.987 956 D CA 1.591 55.561 54.000 -0.051 0.000 0.829 956 D CB 0.035 40.769 40.800 -0.110 0.000 0.961 956 D HN 0.547 nan 8.370 nan 0.000 0.460 957 C N -0.270 118.993 119.300 -0.062 0.000 2.994 957 C HA 0.651 5.111 4.460 -0.000 0.000 0.304 957 C C -0.597 174.365 174.990 -0.047 0.000 1.273 957 C CA -1.196 57.793 59.018 -0.049 0.000 1.537 957 C CB 1.396 29.097 27.740 -0.065 0.000 2.001 957 C HN 0.231 nan 8.230 nan 0.000 0.471 958 I N 0.092 120.646 120.570 -0.027 0.000 2.740 958 I HA 0.820 4.990 4.170 -0.000 0.000 0.303 958 I C -0.912 175.201 176.117 -0.006 0.000 1.044 958 I CA -0.794 60.496 61.300 -0.017 0.000 1.064 958 I CB 1.846 39.844 38.000 -0.002 0.000 1.249 958 I HN 0.730 nan 8.210 nan 0.000 0.433 959 M N 4.566 124.168 119.600 0.002 0.000 2.644 959 M HA 0.643 5.123 4.480 -0.000 0.000 0.304 959 M C -2.076 174.246 176.300 0.036 0.000 1.215 959 M CA -0.714 54.601 55.300 0.025 0.000 0.871 959 M CB 2.732 35.349 32.600 0.029 0.000 1.740 959 M HN 0.634 nan 8.290 nan 0.000 0.464 960 L N 2.047 123.300 121.223 0.051 0.000 2.376 960 L HA 0.505 4.845 4.340 -0.000 0.000 0.275 960 L C -0.344 176.567 176.870 0.067 0.000 0.987 960 L CA -0.353 54.520 54.840 0.054 0.000 0.828 960 L CB 2.049 44.138 42.059 0.050 0.000 1.249 960 L HN 0.797 nan 8.230 nan 0.000 0.409 961 S N 1.253 116.994 115.700 0.068 0.000 3.096 961 S HA 0.173 4.643 4.470 -0.000 0.000 0.169 961 S C 1.686 176.331 174.600 0.074 0.000 0.736 961 S CA 0.421 58.668 58.200 0.078 0.000 0.976 961 S CB -0.283 62.964 63.200 0.078 0.000 0.705 961 S HN 0.860 nan 8.310 nan 0.000 0.666 962 G N 1.434 110.276 108.800 0.071 0.000 2.505 962 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.220 962 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.220 962 G C 1.052 175.990 174.900 0.063 0.000 1.145 962 G CA 1.540 46.680 45.100 0.067 0.000 0.761 962 G HN 0.587 nan 8.290 nan 0.000 0.571 963 E N -0.120 120.118 120.200 0.065 0.000 2.147 963 E HA -0.136 4.214 4.350 -0.000 0.000 0.199 963 E C 2.713 179.354 176.600 0.069 0.000 1.005 963 E CA 1.952 58.394 56.400 0.070 0.000 0.810 963 E CB -0.224 29.516 29.700 0.067 0.000 0.736 963 E HN 0.656 nan 8.360 nan 0.000 0.460 964 T N -2.830 111.762 114.554 0.062 0.000 3.000 964 T HA 0.391 4.741 4.350 -0.000 0.000 0.248 964 T C 1.977 176.710 174.700 0.054 0.000 1.034 964 T CA 0.187 62.321 62.100 0.056 0.000 1.060 964 T CB 0.067 68.966 68.868 0.053 0.000 0.983 964 T HN 0.157 nan 8.240 nan 0.000 0.482 965 A N 3.457 126.315 122.820 0.063 0.000 1.858 965 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 965 A C 2.237 179.857 177.584 0.060 0.000 1.190 965 A CA 1.890 53.970 52.037 0.071 0.000 0.617 965 A CB -0.368 18.685 19.000 0.088 0.000 0.827 965 A HN 0.732 nan 8.150 nan 0.000 0.443 966 K N -2.079 118.351 120.400 0.049 0.000 2.511 966 K HA 0.307 4.627 4.320 -0.000 0.000 0.209 966 K C 1.059 177.668 176.600 0.015 0.000 1.301 966 K CA 0.327 56.633 56.287 0.032 0.000 0.967 966 K CB -0.302 32.216 32.500 0.031 0.000 1.109 966 K HN 0.287 nan 8.250 nan 0.000 0.561 967 G N 1.602 110.418 108.800 0.025 0.000 2.771 967 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.242 967 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.242 967 G C -0.132 174.745 174.900 -0.037 0.000 1.233 967 G CA 0.002 45.115 45.100 0.020 0.000 0.858 967 G HN 0.204 nan 8.290 nan 0.000 0.591 968 D N -1.016 119.325 120.400 -0.100 0.000 2.323 968 D HA -0.000 4.640 4.640 -0.000 0.000 0.209 968 D C -0.086 175.827 176.300 -0.645 0.000 0.973 968 D CA 1.090 54.871 54.000 -0.364 0.000 0.874 968 D CB 0.291 40.797 40.800 -0.489 0.000 0.930 968 D HN 0.406 nan 8.370 nan 0.000 0.521 969 Y N 0.009 120.320 120.300 0.020 0.000 2.511 969 Y HA 0.234 4.784 4.550 -0.000 0.000 0.356 969 Y C -1.740 174.173 175.900 0.022 0.000 1.002 969 Y CA -1.944 56.169 58.100 0.020 0.000 1.127 969 Y CB 1.381 39.853 38.460 0.019 0.000 1.137 969 Y HN -0.123 nan 8.280 nan 0.000 0.652 970 P HA -0.132 nan 4.420 nan 0.000 0.215 970 P C 1.451 178.802 177.300 0.085 0.000 1.157 970 P CA 1.360 64.509 63.100 0.082 0.000 0.859 970 P CB 0.609 32.337 31.700 0.046 0.000 0.786 971 L N -0.530 120.744 121.223 0.086 0.000 2.093 971 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 971 L C 2.523 179.443 176.870 0.083 0.000 1.085 971 L CA 1.553 56.437 54.840 0.073 0.000 0.755 971 L CB -1.154 40.945 42.059 0.067 0.000 0.904 971 L HN -0.077 nan 8.230 nan 0.000 0.435 972 E N 0.344 120.616 120.200 0.121 0.000 2.110 972 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 972 E C 2.311 178.952 176.600 0.069 0.000 0.988 972 E CA 1.247 57.703 56.400 0.092 0.000 0.804 972 E CB -0.213 29.548 29.700 0.101 0.000 0.745 972 E HN 0.462 nan 8.360 nan 0.000 0.458 973 A N 0.392 123.264 122.820 0.087 0.000 1.877 973 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 973 A C 2.439 180.057 177.584 0.058 0.000 1.186 973 A CA 1.454 53.531 52.037 0.067 0.000 0.620 973 A CB -0.737 18.309 19.000 0.076 0.000 0.822 973 A HN 0.141 nan 8.150 nan 0.000 0.443 974 V N 0.211 120.159 119.914 0.056 0.000 2.261 974 V HA -0.320 3.800 4.120 -0.000 0.000 0.246 974 V C 2.604 178.740 176.094 0.070 0.000 1.047 974 V CA 2.386 64.714 62.300 0.047 0.000 1.015 974 V CB -1.037 30.800 31.823 0.024 0.000 0.642 974 V HN 0.546 nan 8.190 nan 0.000 0.446 975 R N -0.662 119.880 120.500 0.070 0.000 2.083 975 R HA -0.220 4.120 4.340 -0.000 0.000 0.237 975 R C 2.277 178.649 176.300 0.120 0.000 1.137 975 R CA 1.988 58.150 56.100 0.103 0.000 0.951 975 R CB -0.605 29.741 30.300 0.076 0.000 0.851 975 R HN 0.369 nan 8.270 nan 0.000 0.434 976 M N 1.284 120.928 119.600 0.072 0.000 2.073 976 M HA -0.234 4.246 4.480 -0.000 0.000 0.258 976 M C 2.046 178.378 176.300 0.054 0.000 1.070 976 M CA 1.821 57.150 55.300 0.048 0.000 1.103 976 M CB -0.356 32.261 32.600 0.027 0.000 1.321 976 M HN 0.098 nan 8.290 nan 0.000 0.405 977 Q N -1.629 118.209 119.800 0.064 0.000 2.112 977 Q HA -0.275 4.065 4.340 -0.000 0.000 0.206 977 Q C 2.179 178.230 176.000 0.085 0.000 0.987 977 Q CA 2.101 57.940 55.803 0.060 0.000 0.858 977 Q CB -0.597 28.172 28.738 0.053 0.000 0.905 977 Q HN 0.695 nan 8.270 nan 0.000 0.420 978 H N 0.773 119.849 119.070 0.010 0.000 2.319 978 H HA -0.108 4.448 4.556 -0.000 0.000 0.299 978 H C 1.875 177.217 175.328 0.023 0.000 1.092 978 H CA 1.660 57.718 56.048 0.016 0.000 1.302 978 H CB -0.315 29.457 29.762 0.016 0.000 1.373 978 H HN 0.122 nan 8.280 nan 0.000 0.497 979 L N -0.445 120.728 121.223 -0.084 0.000 2.017 979 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 979 L C 2.606 179.409 176.870 -0.111 0.000 1.073 979 L CA 1.597 56.352 54.840 -0.142 0.000 0.745 979 L CB -0.407 41.632 42.059 -0.034 0.000 0.894 979 L HN 0.319 nan 8.230 nan 0.000 0.432 980 I N -0.344 120.195 120.570 -0.050 0.000 2.252 980 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 980 I C 2.811 178.912 176.117 -0.027 0.000 1.102 980 I CA 1.005 62.288 61.300 -0.029 0.000 1.385 980 I CB -0.511 37.486 38.000 -0.006 0.000 1.064 980 I HN 0.188 nan 8.210 nan 0.000 0.414 981 A N 0.912 123.715 122.820 -0.028 0.000 1.908 981 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 981 A C 2.447 180.024 177.584 -0.012 0.000 1.181 981 A CA 1.464 53.497 52.037 -0.006 0.000 0.627 981 A CB -0.587 18.425 19.000 0.019 0.000 0.818 981 A HN 0.280 nan 8.150 nan 0.000 0.445 982 R N -0.533 119.920 120.500 -0.077 0.000 2.080 982 R HA -0.144 4.196 4.340 -0.000 0.000 0.236 982 R C 2.138 178.427 176.300 -0.018 0.000 1.137 982 R CA 1.610 57.669 56.100 -0.068 0.000 0.943 982 R CB -0.368 29.828 30.300 -0.173 0.000 0.846 982 R HN 0.589 nan 8.270 nan 0.000 0.431 983 E N 0.200 120.383 120.200 -0.028 0.000 2.077 983 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 983 E C 1.949 178.568 176.600 0.032 0.000 0.989 983 E CA 1.265 57.664 56.400 -0.001 0.000 0.800 983 E CB -0.188 29.505 29.700 -0.011 0.000 0.746 983 E HN 0.330 nan 8.360 nan 0.000 0.452 984 A N 1.419 124.259 122.820 0.033 0.000 1.930 984 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 984 A C 2.025 179.663 177.584 0.090 0.000 1.175 984 A CA 1.446 53.517 52.037 0.057 0.000 0.627 984 A CB -0.437 18.588 19.000 0.042 0.000 0.815 984 A HN 0.201 nan 8.150 nan 0.000 0.443 985 E N -0.198 120.055 120.200 0.089 0.000 2.085 985 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 985 E C 2.249 178.985 176.600 0.227 0.000 0.994 985 E CA 1.184 57.666 56.400 0.137 0.000 0.801 985 E CB -0.281 29.491 29.700 0.120 0.000 0.743 985 E HN 0.632 nan 8.360 nan 0.000 0.453 986 A N 1.048 123.968 122.820 0.167 0.000 1.968 986 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 986 A C 2.224 179.950 177.584 0.238 0.000 1.169 986 A CA 1.251 53.394 52.037 0.176 0.000 0.638 986 A CB -0.308 18.743 19.000 0.084 0.000 0.812 986 A HN 0.261 nan 8.150 nan 0.000 0.446 987 A N -0.718 122.221 122.820 0.199 0.000 2.252 987 A HA 0.365 4.685 4.320 -0.000 0.000 0.207 987 A C 0.985 178.797 177.584 0.379 0.000 1.194 987 A CA 0.023 52.196 52.037 0.226 0.000 0.809 987 A CB -0.630 18.448 19.000 0.130 0.000 0.814 987 A HN 0.578 nan 8.150 nan 0.000 0.482 988 M N -1.480 118.316 119.600 0.327 0.000 2.228 988 M HA 0.267 4.747 4.480 -0.000 0.000 0.326 988 M C 0.014 176.471 176.300 0.262 0.000 1.122 988 M CA -0.187 55.212 55.300 0.166 0.000 1.161 988 M CB 0.384 32.860 32.600 -0.207 0.000 1.437 988 M HN 0.217 nan 8.290 nan 0.000 0.465 989 F N 2.432 122.238 119.950 -0.240 0.000 2.611 989 F HA 0.247 4.774 4.527 -0.000 0.000 0.321 989 F C 1.273 176.986 175.800 -0.144 0.000 1.208 989 F CA -0.705 57.053 58.000 -0.404 0.000 1.249 989 F CB -1.121 37.485 39.000 -0.657 0.000 1.514 989 F HN 0.602 nan 8.300 nan 0.000 0.561 990 H N 0.182 119.303 119.070 0.085 0.000 2.297 990 H HA -0.265 4.291 4.556 -0.000 0.000 0.289 990 H C 2.328 177.569 175.328 -0.145 0.000 1.105 990 H CA 1.837 57.873 56.048 -0.019 0.000 1.219 990 H CB 0.050 29.759 29.762 -0.089 0.000 1.351 990 H HN 0.348 nan 8.280 nan 0.000 0.481 991 R N 1.635 122.054 120.500 -0.135 0.000 2.083 991 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 991 R C 2.231 178.387 176.300 -0.240 0.000 1.137 991 R CA 1.596 57.567 56.100 -0.215 0.000 0.951 991 R CB -0.201 29.990 30.300 -0.182 0.000 0.851 991 R HN 0.298 nan 8.270 nan 0.000 0.434 992 K N 0.041 120.076 120.400 -0.609 0.000 2.103 992 K HA -0.116 4.204 4.320 -0.000 0.000 0.204 992 K C 2.110 178.548 176.600 -0.271 0.000 1.052 992 K CA 0.781 56.714 56.287 -0.589 0.000 0.945 992 K CB -0.144 31.686 32.500 -1.118 0.000 0.722 992 K HN 0.026 nan 8.250 nan 0.000 0.443 993 L N 0.517 121.617 121.223 -0.205 0.000 1.961 993 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 993 L C 1.935 178.842 176.870 0.062 0.000 1.072 993 L CA 1.701 56.496 54.840 -0.074 0.000 0.749 993 L CB -0.841 41.179 42.059 -0.064 0.000 0.889 993 L HN 0.156 nan 8.230 nan 0.000 0.432 994 F N 0.871 120.861 119.950 0.067 0.000 2.085 994 F HA -0.335 4.192 4.527 -0.000 0.000 0.299 994 F C 2.371 178.239 175.800 0.112 0.000 1.096 994 F CA 2.424 60.536 58.000 0.186 0.000 1.227 994 F CB -0.387 38.819 39.000 0.343 0.000 0.983 994 F HN 0.324 nan 8.300 nan 0.000 0.482 995 E N -0.346 120.022 120.200 0.281 0.000 2.118 995 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 995 E C 2.119 178.731 176.600 0.019 0.000 0.992 995 E CA 1.608 58.093 56.400 0.143 0.000 0.804 995 E CB -0.293 29.447 29.700 0.066 0.000 0.741 995 E HN 0.638 nan 8.360 nan 0.000 0.458 996 E N 0.493 120.682 120.200 -0.019 0.000 2.112 996 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 996 E C 2.264 178.838 176.600 -0.043 0.000 0.979 996 E CA 0.365 56.739 56.400 -0.044 0.000 0.814 996 E CB 0.060 29.717 29.700 -0.073 0.000 0.762 996 E HN 0.218 nan 8.360 nan 0.000 0.460 997 L N 0.793 121.987 121.223 -0.049 0.000 1.994 997 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 997 L C 2.675 179.545 176.870 -0.000 0.000 1.071 997 L CA 1.145 55.955 54.840 -0.050 0.000 0.745 997 L CB -0.573 41.445 42.059 -0.068 0.000 0.892 997 L HN 0.144 nan 8.230 nan 0.000 0.431 998 A N 0.246 123.025 122.820 -0.067 0.000 1.917 998 A HA -0.296 4.024 4.320 -0.000 0.000 0.219 998 A C 2.422 179.997 177.584 -0.015 0.000 1.182 998 A CA 2.229 54.211 52.037 -0.092 0.000 0.633 998 A CB -0.729 18.135 19.000 -0.227 0.000 0.819 998 A HN 0.449 nan 8.150 nan 0.000 0.448 999 R N 0.297 120.792 120.500 -0.009 0.000 2.092 999 R HA -0.136 4.204 4.340 -0.000 0.000 0.231 999 R C 2.316 178.627 176.300 0.019 0.000 1.119 999 R CA 2.095 58.201 56.100 0.010 0.000 0.970 999 R CB -0.441 29.861 30.300 0.002 0.000 0.864 999 R HN 0.623 nan 8.270 nan 0.000 0.440 1000 S N 0.368 116.069 115.700 0.001 0.000 2.370 1000 S HA -0.153 4.317 4.470 -0.000 0.000 0.226 1000 S C 1.969 176.574 174.600 0.008 0.000 1.033 1000 S CA 1.413 59.607 58.200 -0.011 0.000 1.011 1000 S CB -0.388 62.791 63.200 -0.035 0.000 0.852 1000 S HN 0.529 nan 8.310 nan 0.000 0.457 1001 S N 1.800 117.525 115.700 0.042 0.000 2.575 1001 S HA 0.118 4.588 4.470 -0.000 0.000 0.215 1001 S C 1.778 176.433 174.600 0.093 0.000 0.966 1001 S CA 0.428 58.672 58.200 0.074 0.000 0.911 1001 S CB -0.521 62.763 63.200 0.140 0.000 0.780 1001 S HN 0.719 nan 8.310 nan 0.000 0.514 1002 S N 1.781 117.536 115.700 0.092 0.000 2.407 1002 S HA -0.310 4.160 4.470 -0.000 0.000 0.235 1002 S C 1.565 176.224 174.600 0.098 0.000 1.036 1002 S CA 1.661 59.911 58.200 0.083 0.000 1.013 1002 S CB -1.038 62.212 63.200 0.083 0.000 0.820 1002 S HN 0.661 nan 8.310 nan 0.000 0.476 1003 H N 1.702 120.769 119.070 -0.006 0.000 2.457 1003 H HA 0.210 4.766 4.556 -0.000 0.000 0.297 1003 H C 1.334 176.657 175.328 -0.008 0.000 1.092 1003 H CA 0.968 57.012 56.048 -0.007 0.000 1.309 1003 H CB -0.324 29.434 29.762 -0.008 0.000 1.382 1003 H HN 0.553 nan 8.280 nan 0.000 0.535 1004 S N -0.204 115.556 115.700 0.099 0.000 2.508 1004 S HA 0.242 4.712 4.470 -0.000 0.000 0.284 1004 S C 0.839 175.447 174.600 0.012 0.000 1.192 1004 S CA -0.170 58.057 58.200 0.046 0.000 1.070 1004 S CB 0.991 64.222 63.200 0.052 0.000 1.004 1004 S HN 0.374 nan 8.310 nan 0.000 0.493 1005 T N 0.427 114.976 114.554 -0.009 0.000 3.228 1005 T HA 0.237 4.587 4.350 -0.000 0.000 0.278 1005 T C 0.181 174.858 174.700 -0.038 0.000 1.014 1005 T CA -0.598 61.487 62.100 -0.024 0.000 0.904 1005 T CB -0.314 68.538 68.868 -0.026 0.000 1.110 1005 T HN 0.696 nan 8.240 nan 0.000 0.541 1006 D N 1.305 121.679 120.400 -0.042 0.000 2.478 1006 D HA -0.011 4.629 4.640 -0.000 0.000 0.234 1006 D C 1.089 177.318 176.300 -0.118 0.000 1.154 1006 D CA 0.006 53.956 54.000 -0.083 0.000 0.874 1006 D CB 0.844 41.602 40.800 -0.069 0.000 1.198 1006 D HN 0.245 nan 8.370 nan 0.000 0.455 1007 L N 2.976 124.065 121.223 -0.223 0.000 2.095 1007 L HA -0.143 4.197 4.340 -0.000 0.000 0.204 1007 L C 2.468 179.152 176.870 -0.309 0.000 1.080 1007 L CA 0.501 55.184 54.840 -0.263 0.000 0.759 1007 L CB -0.448 41.391 42.059 -0.367 0.000 0.914 1007 L HN 0.486 nan 8.230 nan 0.000 0.439 1008 M N 0.453 119.744 119.600 -0.515 0.000 2.159 1008 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 1008 M C 2.032 178.309 176.300 -0.038 0.000 1.063 1008 M CA 1.716 56.853 55.300 -0.272 0.000 1.110 1008 M CB -0.463 31.985 32.600 -0.253 0.000 1.374 1008 M HN 0.115 nan 8.290 nan 0.000 0.411 1009 E N -0.532 119.645 120.200 -0.039 0.000 2.110 1009 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 1009 E C 1.933 178.502 176.600 -0.051 0.000 0.988 1009 E CA 1.193 57.615 56.400 0.038 0.000 0.804 1009 E CB -0.202 29.530 29.700 0.054 0.000 0.745 1009 E HN 0.649 nan 8.360 nan 0.000 0.458 1010 A N 1.049 123.837 122.820 -0.053 0.000 1.898 1010 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 1010 A C 2.110 179.692 177.584 -0.003 0.000 1.181 1010 A CA 1.177 53.186 52.037 -0.046 0.000 0.620 1010 A CB -0.267 18.721 19.000 -0.020 0.000 0.819 1010 A HN 0.131 nan 8.150 nan 0.000 0.442 1011 M N -0.322 119.308 119.600 0.049 0.000 2.159 1011 M HA -0.089 4.391 4.480 -0.000 0.000 0.263 1011 M C 2.486 178.831 176.300 0.074 0.000 1.063 1011 M CA 1.515 56.875 55.300 0.100 0.000 1.110 1011 M CB -1.556 31.172 32.600 0.213 0.000 1.374 1011 M HN 0.491 nan 8.290 nan 0.000 0.411 1012 A N 0.147 123.008 122.820 0.068 0.000 1.855 1012 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 1012 A C 2.266 179.876 177.584 0.045 0.000 1.191 1012 A CA 1.611 53.708 52.037 0.100 0.000 0.613 1012 A CB -0.554 18.568 19.000 0.202 0.000 0.829 1012 A HN 0.461 nan 8.150 nan 0.000 0.442 1013 M N -0.592 118.928 119.600 -0.133 0.000 2.080 1013 M HA -0.123 4.357 4.480 -0.000 0.000 0.260 1013 M C 2.374 178.739 176.300 0.109 0.000 1.068 1013 M CA 1.603 56.841 55.300 -0.103 0.000 1.109 1013 M CB -0.833 31.551 32.600 -0.360 0.000 1.342 1013 M HN 0.515 nan 8.290 nan 0.000 0.405 1014 G N -0.313 108.504 108.800 0.028 0.000 2.446 1014 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 1014 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 1014 G C 1.589 176.479 174.900 -0.018 0.000 1.168 1014 G CA 1.293 46.399 45.100 0.010 0.000 0.771 1014 G HN 0.462 nan 8.290 nan 0.000 0.551 1015 S N -0.179 115.522 115.700 0.001 0.000 2.402 1015 S HA -0.055 4.415 4.470 -0.000 0.000 0.229 1015 S C 2.419 176.973 174.600 -0.076 0.000 1.021 1015 S CA 0.962 59.153 58.200 -0.015 0.000 0.974 1015 S CB -0.085 63.129 63.200 0.023 0.000 0.800 1015 S HN 0.176 nan 8.310 nan 0.000 0.484 1016 V N 1.627 121.490 119.914 -0.086 0.000 2.323 1016 V HA -0.108 4.012 4.120 -0.000 0.000 0.244 1016 V C 2.566 178.253 176.094 -0.679 0.000 1.041 1016 V CA 1.831 63.964 62.300 -0.279 0.000 1.025 1016 V CB -0.575 31.231 31.823 -0.028 0.000 0.656 1016 V HN 0.390 nan 8.190 nan 0.000 0.451 1017 E N 1.233 121.100 120.200 -0.556 0.000 2.049 1017 E HA -0.249 4.101 4.350 -0.000 0.000 0.198 1017 E C 2.096 178.544 176.600 -0.253 0.000 1.007 1017 E CA 2.099 58.182 56.400 -0.529 0.000 0.809 1017 E CB -0.569 28.914 29.700 -0.362 0.000 0.749 1017 E HN 0.497 nan 8.360 nan 0.000 0.450 1018 A N 0.120 122.839 122.820 -0.169 0.000 1.972 1018 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 1018 A C 2.369 179.910 177.584 -0.073 0.000 1.169 1018 A CA 2.254 54.239 52.037 -0.087 0.000 0.635 1018 A CB -0.929 18.037 19.000 -0.057 0.000 0.810 1018 A HN 0.451 nan 8.150 nan 0.000 0.446 1019 S N -1.562 114.060 115.700 -0.131 0.000 2.428 1019 S HA -0.130 4.340 4.470 -0.000 0.000 0.230 1019 S C 1.827 176.436 174.600 0.015 0.000 1.014 1019 S CA 1.185 59.339 58.200 -0.077 0.000 0.957 1019 S CB -0.635 62.498 63.200 -0.112 0.000 0.784 1019 S HN 0.509 nan 8.310 nan 0.000 0.499 1020 Y N 2.152 122.412 120.300 -0.066 0.000 2.153 1020 Y HA 0.210 4.760 4.550 -0.000 0.000 0.289 1020 Y C 2.622 178.485 175.900 -0.063 0.000 1.127 1020 Y CA 0.601 58.656 58.100 -0.076 0.000 1.131 1020 Y CB -1.082 37.304 38.460 -0.124 0.000 0.995 1020 Y HN 0.233 nan 8.280 nan 0.000 0.505 1021 K N 0.653 121.125 120.400 0.120 0.000 2.044 1021 K HA -0.195 4.125 4.320 -0.000 0.000 0.210 1021 K C 1.942 178.561 176.600 0.032 0.000 1.049 1021 K CA 2.084 58.401 56.287 0.048 0.000 0.927 1021 K CB -0.605 31.904 32.500 0.015 0.000 0.713 1021 K HN 0.487 nan 8.250 nan 0.000 0.443 1022 C N -0.382 118.933 119.300 0.024 0.000 2.855 1022 C HA 0.472 4.932 4.460 -0.000 0.000 0.279 1022 C C 0.291 175.295 174.990 0.023 0.000 1.270 1022 C CA -0.878 58.149 59.018 0.015 0.000 1.702 1022 C CB -1.353 26.387 27.740 0.001 0.000 1.949 1022 C HN 0.485 nan 8.230 nan 0.000 0.618 1023 L N 0.678 121.927 121.223 0.043 0.000 3.746 1023 L HA -0.209 4.131 4.340 -0.000 0.000 0.542 1023 L C 0.963 177.855 176.870 0.037 0.000 1.268 1023 L CA 0.415 55.284 54.840 0.048 0.000 0.818 1023 L CB -2.201 39.879 42.059 0.035 0.000 1.472 1023 L HN 0.700 nan 8.230 nan 0.000 0.843 1024 A N 0.756 123.595 122.820 0.031 0.000 2.406 1024 A HA 0.595 4.915 4.320 -0.000 0.000 0.243 1024 A C 1.300 178.915 177.584 0.051 0.000 1.082 1024 A CA 0.567 52.617 52.037 0.021 0.000 0.786 1024 A CB 0.775 19.780 19.000 0.007 0.000 1.029 1024 A HN 0.787 nan 8.150 nan 0.000 0.495 1025 A N 0.448 123.311 122.820 0.072 0.000 2.132 1025 A HA 0.563 4.883 4.320 -0.000 0.000 0.213 1025 A C 0.968 178.693 177.584 0.236 0.000 1.154 1025 A CA 1.444 53.583 52.037 0.170 0.000 0.753 1025 A CB -0.425 18.740 19.000 0.274 0.000 0.826 1025 A HN 2.355 nan 8.150 nan 0.000 0.469 1026 A N -1.720 121.208 122.820 0.180 0.000 2.540 1026 A HA 0.645 4.965 4.320 -0.000 0.000 0.291 1026 A C -1.942 175.708 177.584 0.110 0.000 1.083 1026 A CA -0.492 51.658 52.037 0.190 0.000 0.650 1026 A CB 0.310 19.584 19.000 0.456 0.000 1.292 1026 A HN 0.348 nan 8.150 nan 0.000 0.435 1027 L N 1.138 122.425 121.223 0.106 0.000 2.404 1027 L HA 0.524 4.864 4.340 -0.000 0.000 0.272 1027 L C -0.943 175.987 176.870 0.100 0.000 0.980 1027 L CA -0.050 54.837 54.840 0.079 0.000 0.836 1027 L CB 1.700 43.800 42.059 0.068 0.000 1.238 1027 L HN 0.597 nan 8.230 nan 0.000 0.408 1028 I N 4.236 124.856 120.570 0.083 0.000 2.304 1028 I HA 0.405 4.575 4.170 -0.000 0.000 0.291 1028 I C -0.546 175.605 176.117 0.057 0.000 1.018 1028 I CA -0.751 60.598 61.300 0.081 0.000 1.260 1028 I CB 1.468 39.509 38.000 0.069 0.000 1.390 1028 I HN 0.188 nan 8.210 nan 0.000 0.475 1029 V N 7.231 127.179 119.914 0.057 0.000 2.444 1029 V HA 0.354 4.474 4.120 -0.000 0.000 0.294 1029 V C -0.233 175.877 176.094 0.026 0.000 1.022 1029 V CA -0.682 61.643 62.300 0.042 0.000 0.850 1029 V CB 1.865 33.712 31.823 0.039 0.000 0.992 1029 V HN 0.396 nan 8.190 nan 0.000 0.426 1030 L N 4.279 125.514 121.223 0.020 0.000 2.265 1030 L HA 0.755 5.095 4.340 -0.000 0.000 0.288 1030 L C 0.324 177.210 176.870 0.027 0.000 1.058 1030 L CA 0.776 55.620 54.840 0.008 0.000 0.809 1030 L CB 1.344 43.388 42.059 -0.026 0.000 1.179 1030 L HN 0.841 nan 8.230 nan 0.000 0.429 1031 T N 1.102 115.665 114.554 0.014 0.000 2.868 1031 T HA 0.438 4.788 4.350 -0.000 0.000 0.306 1031 T C 0.214 174.922 174.700 0.013 0.000 1.224 1031 T CA -0.339 61.768 62.100 0.011 0.000 1.012 1031 T CB 1.438 70.278 68.868 -0.046 0.000 1.221 1031 T HN 0.621 nan 8.240 nan 0.000 0.499 1032 E N 0.714 120.929 120.200 0.026 0.000 2.367 1032 E HA 0.086 4.436 4.350 -0.000 0.000 0.204 1032 E C 1.975 178.592 176.600 0.027 0.000 0.840 1032 E CA 0.869 57.291 56.400 0.037 0.000 1.051 1032 E CB 0.259 29.995 29.700 0.060 0.000 1.051 1032 E HN 0.610 nan 8.360 nan 0.000 0.509 1033 S N -0.632 115.079 115.700 0.018 0.000 2.439 1033 S HA 0.122 4.592 4.470 -0.000 0.000 0.224 1033 S C 1.650 176.233 174.600 -0.028 0.000 1.029 1033 S CA 1.438 59.653 58.200 0.024 0.000 0.946 1033 S CB 0.409 63.633 63.200 0.040 0.000 0.797 1033 S HN 0.268 nan 8.310 nan 0.000 0.504 1034 G N 1.165 109.882 108.800 -0.139 0.000 2.176 1034 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.232 1034 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.232 1034 G C 0.920 175.372 174.900 -0.747 0.000 0.986 1034 G CA 0.346 45.184 45.100 -0.437 0.000 0.643 1034 G HN 0.440 nan 8.290 nan 0.000 0.522 1035 R N 0.740 121.094 120.500 -0.244 0.000 2.073 1035 R HA -0.048 4.292 4.340 -0.000 0.000 0.234 1035 R C 2.749 178.987 176.300 -0.104 0.000 1.134 1035 R CA 1.976 58.037 56.100 -0.065 0.000 0.952 1035 R CB -0.508 29.823 30.300 0.051 0.000 0.850 1035 R HN 0.432 nan 8.270 nan 0.000 0.433 1036 S N 0.532 116.194 115.700 -0.063 0.000 2.372 1036 S HA -0.245 4.225 4.470 -0.000 0.000 0.227 1036 S C 1.996 176.574 174.600 -0.038 0.000 1.044 1036 S CA 1.655 59.859 58.200 0.006 0.000 1.050 1036 S CB -0.309 62.925 63.200 0.057 0.000 0.901 1036 S HN 0.546 nan 8.310 nan 0.000 0.447 1037 A N 0.957 123.681 122.820 -0.160 0.000 1.930 1037 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 1037 A C 1.704 179.202 177.584 -0.144 0.000 1.175 1037 A CA 1.533 53.477 52.037 -0.154 0.000 0.627 1037 A CB -0.861 18.019 19.000 -0.201 0.000 0.815 1037 A HN 0.703 nan 8.150 nan 0.000 0.443 1038 H N -1.675 117.281 119.070 -0.191 0.000 2.389 1038 H HA -0.107 4.449 4.556 -0.000 0.000 0.299 1038 H C 2.310 177.602 175.328 -0.062 0.000 1.081 1038 H CA 1.169 57.047 56.048 -0.284 0.000 1.345 1038 H CB 0.084 29.572 29.762 -0.457 0.000 1.393 1038 H HN 0.345 nan 8.280 nan 0.000 0.520 1039 Q N 0.603 120.461 119.800 0.097 0.000 2.135 1039 Q HA -0.105 4.235 4.340 -0.000 0.000 0.204 1039 Q C 2.450 178.566 176.000 0.193 0.000 0.981 1039 Q CA 0.959 56.841 55.803 0.132 0.000 0.856 1039 Q CB -0.295 28.517 28.738 0.124 0.000 0.902 1039 Q HN 0.335 nan 8.270 nan 0.000 0.425 1040 V N 0.183 120.193 119.914 0.159 0.000 2.283 1040 V HA -0.221 3.899 4.120 -0.000 0.000 0.243 1040 V C 2.232 178.438 176.094 0.187 0.000 1.039 1040 V CA 1.614 64.028 62.300 0.190 0.000 1.016 1040 V CB -1.323 30.581 31.823 0.135 0.000 0.650 1040 V HN 0.373 nan 8.190 nan 0.000 0.449 1041 A N 0.871 123.784 122.820 0.155 0.000 1.927 1041 A HA -0.335 3.985 4.320 -0.000 0.000 0.220 1041 A C 2.411 180.068 177.584 0.121 0.000 1.185 1041 A CA 2.542 54.680 52.037 0.169 0.000 0.639 1041 A CB -0.741 18.390 19.000 0.217 0.000 0.820 1041 A HN 0.591 nan 8.150 nan 0.000 0.451 1042 R N -1.955 118.573 120.500 0.046 0.000 2.152 1042 R HA -0.165 4.175 4.340 -0.000 0.000 0.232 1042 R C 1.191 177.295 176.300 -0.326 0.000 1.117 1042 R CA 1.789 57.799 56.100 -0.149 0.000 0.981 1042 R CB -0.415 29.734 30.300 -0.252 0.000 0.870 1042 R HN 0.537 nan 8.270 nan 0.000 0.451 1043 Y N 0.958 121.299 120.300 0.068 0.000 2.490 1043 Y HA 0.229 4.779 4.550 -0.000 0.000 0.281 1043 Y C 0.162 176.184 175.900 0.203 0.000 1.174 1043 Y CA -0.006 58.131 58.100 0.062 0.000 1.295 1043 Y CB 0.290 38.766 38.460 0.027 0.000 1.062 1043 Y HN -0.043 nan 8.280 nan 0.000 0.522 1044 R N -0.203 120.440 120.500 0.239 0.000 3.146 1044 R HA -0.155 4.185 4.340 -0.000 0.000 0.250 1044 R C -2.836 173.693 176.300 0.381 0.000 0.912 1044 R CA 0.241 56.495 56.100 0.257 0.000 0.633 1044 R CB -2.001 28.416 30.300 0.196 0.000 1.180 1044 R HN 0.290 nan 8.270 nan 0.000 0.464 1045 P HA -0.020 nan 4.420 nan 0.000 0.272 1045 P C 0.678 178.219 177.300 0.402 0.000 1.254 1045 P CA -0.087 63.154 63.100 0.234 0.000 0.795 1045 P CB 0.425 32.182 31.700 0.095 0.000 1.022 1046 R N -0.084 120.628 120.500 0.353 0.000 2.175 1046 R HA 0.253 4.593 4.340 -0.000 0.000 0.202 1046 R C 0.738 177.112 176.300 0.123 0.000 1.018 1046 R CA 0.126 56.351 56.100 0.208 0.000 1.029 1046 R CB -0.259 29.932 30.300 -0.182 0.000 0.959 1046 R HN 0.456 nan 8.270 nan 0.000 0.480 1047 A N 2.858 125.734 122.820 0.093 0.000 2.332 1047 A HA 0.441 4.761 4.320 -0.000 0.000 0.258 1047 A C -2.294 175.296 177.584 0.010 0.000 1.087 1047 A CA -1.696 50.358 52.037 0.028 0.000 0.802 1047 A CB 0.088 19.111 19.000 0.039 0.000 1.042 1047 A HN 0.264 nan 8.150 nan 0.000 0.489 1048 P HA 0.251 nan 4.420 nan 0.000 0.275 1048 P C -0.842 176.435 177.300 -0.037 0.000 1.228 1048 P CA 0.251 63.195 63.100 -0.259 0.000 0.786 1048 P CB 0.463 31.558 31.700 -1.009 0.000 0.927 1049 I N 3.736 124.410 120.570 0.173 0.000 2.307 1049 I HA 0.268 4.438 4.170 -0.000 0.000 0.287 1049 I C 0.586 176.856 176.117 0.255 0.000 1.054 1049 I CA -0.469 60.952 61.300 0.201 0.000 1.218 1049 I CB 0.150 38.276 38.000 0.211 0.000 1.398 1049 I HN 0.094 nan 8.210 nan 0.000 0.475 1050 I N 6.004 126.685 120.570 0.185 0.000 2.337 1050 I HA 0.385 4.555 4.170 -0.000 0.000 0.291 1050 I C 0.486 176.695 176.117 0.154 0.000 1.046 1050 I CA -0.161 61.267 61.300 0.214 0.000 1.324 1050 I CB 1.079 39.199 38.000 0.200 0.000 1.409 1050 I HN 0.566 nan 8.210 nan 0.000 0.494 1051 A N 7.207 130.109 122.820 0.138 0.000 2.285 1051 A HA 0.641 4.960 4.320 -0.000 0.000 0.310 1051 A C -0.540 177.073 177.584 0.048 0.000 1.266 1051 A CA -0.482 51.596 52.037 0.069 0.000 0.832 1051 A CB 0.915 19.933 19.000 0.031 0.000 1.163 1051 A HN 0.454 nan 8.150 nan 0.000 0.499 1052 V N 2.302 122.236 119.914 0.033 0.000 2.432 1052 V HA 0.692 4.812 4.120 -0.000 0.000 0.275 1052 V C 0.577 176.673 176.094 0.003 0.000 1.043 1052 V CA -0.019 62.292 62.300 0.017 0.000 0.925 1052 V CB 1.166 32.994 31.823 0.008 0.000 0.985 1052 V HN 0.948 nan 8.190 nan 0.000 0.466 1053 T N 4.047 118.601 114.554 -0.001 0.000 2.883 1053 T HA 0.448 4.798 4.350 -0.000 0.000 0.301 1053 T C 0.490 175.193 174.700 0.005 0.000 1.158 1053 T CA -0.656 61.448 62.100 0.005 0.000 1.007 1053 T CB 1.742 70.613 68.868 0.006 0.000 1.186 1053 T HN 0.658 nan 8.240 nan 0.000 0.499 1054 R N 1.323 121.844 120.500 0.035 0.000 2.312 1054 R HA 0.225 4.565 4.340 -0.000 0.000 0.205 1054 R C 0.273 176.663 176.300 0.149 0.000 0.904 1054 R CA -0.242 55.892 56.100 0.058 0.000 1.052 1054 R CB 0.166 30.506 30.300 0.067 0.000 1.014 1054 R HN 0.318 nan 8.270 nan 0.000 0.503 1055 N N 1.318 120.092 118.700 0.123 0.000 2.469 1055 N HA 0.021 4.761 4.740 -0.000 0.000 0.239 1055 N C 0.596 176.215 175.510 0.182 0.000 1.053 1055 N CA 0.105 53.261 53.050 0.175 0.000 0.937 1055 N CB 0.391 38.941 38.487 0.105 0.000 1.163 1055 N HN 0.216 nan 8.380 nan 0.000 0.509 1056 H N 1.549 120.641 119.070 0.036 0.000 2.390 1056 H HA -0.185 4.371 4.556 -0.000 0.000 0.298 1056 H C 1.257 176.622 175.328 0.061 0.000 1.106 1056 H CA 1.352 57.432 56.048 0.054 0.000 1.297 1056 H CB 0.495 30.284 29.762 0.046 0.000 1.375 1056 H HN 0.680 nan 8.280 nan 0.000 0.509 1057 Q N 0.700 120.621 119.800 0.201 0.000 2.187 1057 Q HA -0.094 4.245 4.340 -0.000 0.000 0.199 1057 Q C 1.891 177.961 176.000 0.116 0.000 0.957 1057 Q CA 1.149 57.032 55.803 0.134 0.000 0.857 1057 Q CB 0.223 29.017 28.738 0.094 0.000 0.929 1057 Q HN 0.209 nan 8.270 nan 0.000 0.453 1058 T N 0.570 115.188 114.554 0.106 0.000 2.777 1058 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 1058 T C 1.674 176.413 174.700 0.065 0.000 1.040 1058 T CA 1.126 63.279 62.100 0.088 0.000 1.141 1058 T CB -0.277 68.627 68.868 0.059 0.000 0.868 1058 T HN 0.489 nan 8.240 nan 0.000 0.444 1059 A N 1.855 124.704 122.820 0.048 0.000 1.841 1059 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 1059 A C 2.321 179.887 177.584 -0.030 0.000 1.199 1059 A CA 1.699 53.736 52.037 0.000 0.000 0.621 1059 A CB -0.646 18.360 19.000 0.011 0.000 0.835 1059 A HN 0.421 nan 8.150 nan 0.000 0.445 1060 R N -0.545 119.986 120.500 0.051 0.000 2.117 1060 R HA -0.185 4.155 4.340 -0.000 0.000 0.243 1060 R C 2.374 178.743 176.300 0.115 0.000 1.143 1060 R CA 1.811 57.967 56.100 0.093 0.000 0.968 1060 R CB -0.332 30.052 30.300 0.140 0.000 0.863 1060 R HN 0.714 nan 8.270 nan 0.000 0.444 1061 Q N -0.437 119.441 119.800 0.130 0.000 2.369 1061 Q HA 0.012 4.352 4.340 -0.000 0.000 0.206 1061 Q C 2.024 178.191 176.000 0.278 0.000 0.963 1061 Q CA 0.808 56.730 55.803 0.198 0.000 0.894 1061 Q CB 0.101 28.963 28.738 0.207 0.000 0.965 1061 Q HN 0.344 nan 8.270 nan 0.000 0.475 1062 A N 0.650 123.571 122.820 0.168 0.000 1.978 1062 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 1062 A C 1.358 179.101 177.584 0.265 0.000 1.170 1062 A CA 1.498 53.656 52.037 0.203 0.000 0.636 1062 A CB -0.760 18.229 19.000 -0.018 0.000 0.810 1062 A HN 0.450 nan 8.150 nan 0.000 0.448 1063 H N -1.480 117.694 119.070 0.174 0.000 2.489 1063 H HA -0.067 4.489 4.556 -0.000 0.000 0.295 1063 H C 1.602 176.968 175.328 0.062 0.000 1.082 1063 H CA 0.642 56.734 56.048 0.074 0.000 1.295 1063 H CB 0.055 29.835 29.762 0.030 0.000 1.380 1063 H HN 0.302 nan 8.280 nan 0.000 0.548 1064 L N 0.337 121.682 121.223 0.204 0.000 2.362 1064 L HA -0.113 4.227 4.340 -0.000 0.000 0.219 1064 L C -0.294 176.390 176.870 -0.311 0.000 1.134 1064 L CA 1.288 56.070 54.840 -0.097 0.000 0.807 1064 L CB -0.712 41.191 42.059 -0.259 0.000 0.927 1064 L HN 0.219 nan 8.230 nan 0.000 0.447 1065 Y N -0.980 119.356 120.300 0.061 0.000 2.377 1065 Y HA 0.476 5.026 4.550 -0.000 0.000 0.339 1065 Y C 0.763 176.699 175.900 0.061 0.000 1.011 1065 Y CA -1.276 56.860 58.100 0.061 0.000 1.093 1065 Y CB 0.715 39.254 38.460 0.132 0.000 1.201 1065 Y HN -0.158 nan 8.280 nan 0.000 0.455 1066 R N 1.119 121.727 120.500 0.180 0.000 2.484 1066 R HA 0.351 4.691 4.340 -0.000 0.000 0.293 1066 R C 1.139 177.553 176.300 0.189 0.000 1.023 1066 R CA 1.458 57.642 56.100 0.139 0.000 1.037 1066 R CB -0.309 30.054 30.300 0.105 0.000 0.951 1066 R HN 0.991 nan 8.270 nan 0.000 0.418 1067 G N 3.862 112.776 108.800 0.189 0.000 2.205 1067 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.261 1067 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.261 1067 G C 0.176 175.323 174.900 0.412 0.000 0.980 1067 G CA 0.256 45.565 45.100 0.349 0.000 0.632 1067 G HN 0.571 nan 8.290 nan 0.000 0.533 1068 I N 1.013 121.706 120.570 0.205 0.000 2.379 1068 I HA 0.428 4.598 4.170 -0.000 0.000 0.290 1068 I C -0.252 175.886 176.117 0.035 0.000 1.063 1068 I CA -0.447 60.973 61.300 0.199 0.000 1.351 1068 I CB 0.370 38.460 38.000 0.150 0.000 1.410 1068 I HN -0.057 nan 8.210 nan 0.000 0.505 1069 F N 8.045 128.048 119.950 0.089 0.000 2.311 1069 F HA 0.372 4.899 4.527 -0.000 0.000 0.371 1069 F C -2.064 173.766 175.800 0.050 0.000 1.083 1069 F CA -2.938 55.124 58.000 0.103 0.000 1.113 1069 F CB 0.559 39.670 39.000 0.186 0.000 1.349 1069 F HN 0.266 nan 8.300 nan 0.000 0.470 1070 P HA 0.160 nan 4.420 nan 0.000 0.271 1070 P C -0.676 176.661 177.300 0.062 0.000 1.220 1070 P CA 0.023 63.124 63.100 0.002 0.000 0.768 1070 P CB 1.670 33.286 31.700 -0.140 0.000 0.848 1071 V N 4.622 124.573 119.914 0.062 0.000 2.482 1071 V HA 0.155 4.275 4.120 -0.000 0.000 0.295 1071 V C 0.234 176.345 176.094 0.027 0.000 1.026 1071 V CA -0.866 61.476 62.300 0.070 0.000 0.856 1071 V CB 2.169 34.036 31.823 0.073 0.000 1.001 1071 V HN 0.235 nan 8.190 nan 0.000 0.424 1072 V N 3.893 123.819 119.914 0.019 0.000 2.455 1072 V HA 0.142 4.262 4.120 -0.000 0.000 0.273 1072 V C 0.497 176.544 176.094 -0.080 0.000 1.045 1072 V CA -0.200 62.048 62.300 -0.087 0.000 0.976 1072 V CB 1.261 32.961 31.823 -0.205 0.000 0.993 1072 V HN 1.037 nan 8.190 nan 0.000 0.475 1073 C N 6.866 126.126 119.300 -0.068 0.000 2.281 1073 C HA 0.339 4.799 4.460 -0.000 0.000 0.336 1073 C C 1.356 176.321 174.990 -0.043 0.000 1.217 1073 C CA -0.646 58.347 59.018 -0.042 0.000 1.730 1073 C CB -0.792 26.934 27.740 -0.023 0.000 2.338 1073 C HN 0.990 nan 8.230 nan 0.000 0.521 1074 K N 2.855 123.227 120.400 -0.047 0.000 2.437 1074 K HA 0.154 4.474 4.320 -0.000 0.000 0.198 1074 K C -0.211 176.386 176.600 -0.005 0.000 1.024 1074 K CA 0.049 56.321 56.287 -0.025 0.000 1.148 1074 K CB 0.072 32.537 32.500 -0.058 0.000 0.860 1074 K HN 0.706 nan 8.250 nan 0.000 0.515 1075 D N 1.085 121.482 120.400 -0.006 0.000 2.268 1075 D HA 0.246 4.886 4.640 -0.000 0.000 0.249 1075 D C -2.294 174.009 176.300 0.006 0.000 1.008 1075 D CA -1.910 52.088 54.000 -0.003 0.000 0.939 1075 D CB 1.121 41.914 40.800 -0.012 0.000 1.170 1075 D HN -0.136 nan 8.370 nan 0.000 0.468 1076 P HA 0.170 nan 4.420 nan 0.000 0.277 1076 P C -0.487 176.819 177.300 0.011 0.000 1.271 1076 P CA -0.566 62.540 63.100 0.011 0.000 0.795 1076 P CB 0.522 32.227 31.700 0.008 0.000 1.101 1077 V N 1.346 121.272 119.914 0.020 0.000 2.649 1077 V HA 0.111 4.231 4.120 -0.000 0.000 0.292 1077 V C 0.634 176.740 176.094 0.021 0.000 1.055 1077 V CA -0.213 62.103 62.300 0.027 0.000 1.023 1077 V CB 0.314 32.168 31.823 0.051 0.000 0.992 1077 V HN 0.427 nan 8.190 nan 0.000 0.480 1078 Q N 2.474 122.284 119.800 0.016 0.000 2.249 1078 Q HA 0.251 4.591 4.340 -0.000 0.000 0.226 1078 Q C 1.283 177.300 176.000 0.028 0.000 0.983 1078 Q CA -0.341 55.468 55.803 0.010 0.000 0.930 1078 Q CB 0.546 29.277 28.738 -0.012 0.000 1.193 1078 Q HN 0.841 nan 8.270 nan 0.000 0.508 1079 E N -0.612 119.600 120.200 0.020 0.000 2.285 1079 E HA 0.161 4.511 4.350 -0.000 0.000 0.194 1079 E C -0.270 176.354 176.600 0.040 0.000 0.997 1079 E CA 0.557 56.973 56.400 0.026 0.000 0.845 1079 E CB 0.220 29.928 29.700 0.014 0.000 0.782 1079 E HN 0.386 nan 8.360 nan 0.000 0.491 1080 A N 1.801 124.641 122.820 0.033 0.000 2.288 1080 A HA 0.162 4.482 4.320 -0.000 0.000 0.320 1080 A C 0.321 177.956 177.584 0.084 0.000 1.217 1080 A CA -0.809 51.257 52.037 0.048 0.000 0.840 1080 A CB 0.093 19.099 19.000 0.009 0.000 1.179 1080 A HN 0.509 nan 8.150 nan 0.000 0.504 1081 W N 3.324 124.566 121.300 -0.097 0.000 2.315 1081 W HA -0.320 4.340 4.660 -0.000 0.000 0.323 1081 W C 1.739 178.183 176.519 -0.124 0.000 1.233 1081 W CA 2.309 59.584 57.345 -0.116 0.000 1.267 1081 W CB -0.315 29.048 29.460 -0.163 0.000 1.160 1081 W HN 0.782 nan 8.180 nan 0.000 0.474 1082 A N 1.101 123.826 122.820 -0.159 0.000 1.915 1082 A HA -0.341 3.979 4.320 -0.000 0.000 0.220 1082 A C 1.743 179.160 177.584 -0.278 0.000 1.198 1082 A CA 2.684 54.545 52.037 -0.294 0.000 0.647 1082 A CB -1.213 17.709 19.000 -0.130 0.000 0.825 1082 A HN 0.623 nan 8.150 nan 0.000 0.456 1083 E N -0.883 119.215 120.200 -0.169 0.000 2.028 1083 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 1083 E C 1.888 178.381 176.600 -0.178 0.000 0.988 1083 E CA 1.012 57.330 56.400 -0.137 0.000 0.799 1083 E CB -0.304 29.351 29.700 -0.075 0.000 0.755 1083 E HN 0.685 nan 8.360 nan 0.000 0.447 1084 D N 0.575 120.863 120.400 -0.187 0.000 2.126 1084 D HA -0.203 4.437 4.640 -0.000 0.000 0.190 1084 D C 1.939 178.051 176.300 -0.315 0.000 1.001 1084 D CA 1.447 55.325 54.000 -0.204 0.000 0.841 1084 D CB -0.110 40.595 40.800 -0.159 0.000 0.949 1084 D HN -0.050 nan 8.370 nan 0.000 0.446 1085 V N 0.634 120.214 119.914 -0.557 0.000 2.231 1085 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 1085 V C 2.178 178.088 176.094 -0.306 0.000 1.054 1085 V CA 2.258 64.221 62.300 -0.561 0.000 1.015 1085 V CB -0.600 30.745 31.823 -0.798 0.000 0.638 1085 V HN 0.333 nan 8.190 nan 0.000 0.444 1086 D N -0.435 119.810 120.400 -0.258 0.000 2.133 1086 D HA -0.208 4.432 4.640 -0.000 0.000 0.192 1086 D C 2.114 178.343 176.300 -0.119 0.000 1.001 1086 D CA 1.949 55.854 54.000 -0.159 0.000 0.844 1086 D CB -0.175 40.549 40.800 -0.127 0.000 0.944 1086 D HN 0.445 nan 8.370 nan 0.000 0.447 1087 L N 0.865 122.015 121.223 -0.122 0.000 1.955 1087 L HA -0.234 4.106 4.340 -0.000 0.000 0.213 1087 L C 2.602 179.427 176.870 -0.075 0.000 1.072 1087 L CA 1.532 56.321 54.840 -0.086 0.000 0.755 1087 L CB -0.199 41.809 42.059 -0.084 0.000 0.888 1087 L HN -0.087 nan 8.230 nan 0.000 0.432 1088 R N -0.592 119.849 120.500 -0.097 0.000 2.113 1088 R HA -0.211 4.129 4.340 -0.000 0.000 0.244 1088 R C 2.168 178.436 176.300 -0.053 0.000 1.142 1088 R CA 1.917 57.971 56.100 -0.076 0.000 0.953 1088 R CB -0.867 29.373 30.300 -0.100 0.000 0.860 1088 R HN 0.371 nan 8.270 nan 0.000 0.438 1089 V N 1.686 121.557 119.914 -0.072 0.000 2.287 1089 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 1089 V C 2.034 178.118 176.094 -0.017 0.000 1.053 1089 V CA 1.814 64.088 62.300 -0.044 0.000 1.027 1089 V CB -0.555 31.230 31.823 -0.063 0.000 0.646 1089 V HN 0.436 nan 8.190 nan 0.000 0.447 1090 N N -0.309 118.374 118.700 -0.029 0.000 2.149 1090 N HA -0.180 4.560 4.740 -0.000 0.000 0.188 1090 N C 1.811 177.327 175.510 0.009 0.000 1.019 1090 N CA 1.566 54.609 53.050 -0.011 0.000 0.857 1090 N CB -0.171 38.302 38.487 -0.023 0.000 0.997 1090 N HN 0.339 nan 8.380 nan 0.000 0.426 1091 L N 1.775 122.998 121.223 0.001 0.000 1.990 1091 L HA -0.136 4.204 4.340 -0.000 0.000 0.213 1091 L C 2.262 179.152 176.870 0.033 0.000 1.072 1091 L CA 1.893 56.739 54.840 0.010 0.000 0.755 1091 L CB -1.268 40.790 42.059 -0.001 0.000 0.889 1091 L HN 0.081 nan 8.230 nan 0.000 0.432 1092 A N -1.109 121.741 122.820 0.050 0.000 1.978 1092 A HA -0.278 4.042 4.320 -0.000 0.000 0.220 1092 A C 2.324 180.007 177.584 0.164 0.000 1.170 1092 A CA 2.263 54.357 52.037 0.095 0.000 0.636 1092 A CB -0.635 18.427 19.000 0.104 0.000 0.810 1092 A HN 0.580 nan 8.150 nan 0.000 0.448 1093 M N -0.094 119.589 119.600 0.139 0.000 2.132 1093 M HA -0.133 4.347 4.480 -0.000 0.000 0.263 1093 M C 1.569 177.989 176.300 0.199 0.000 1.065 1093 M CA 1.970 57.395 55.300 0.210 0.000 1.122 1093 M CB -0.382 32.265 32.600 0.078 0.000 1.365 1093 M HN 0.576 nan 8.290 nan 0.000 0.411 1094 N N -1.157 117.591 118.700 0.081 0.000 2.381 1094 N HA -0.103 4.637 4.740 -0.000 0.000 0.182 1094 N C 1.349 176.839 175.510 -0.033 0.000 1.025 1094 N CA 0.988 54.056 53.050 0.029 0.000 0.888 1094 N CB -0.085 38.409 38.487 0.012 0.000 0.965 1094 N HN 0.160 nan 8.380 nan 0.000 0.438 1095 V N 0.458 120.342 119.914 -0.051 0.000 2.256 1095 V HA -0.049 4.071 4.120 -0.000 0.000 0.240 1095 V C 2.511 178.358 176.094 -0.411 0.000 1.036 1095 V CA 2.028 64.233 62.300 -0.160 0.000 1.008 1095 V CB -1.282 30.488 31.823 -0.088 0.000 0.648 1095 V HN 0.377 nan 8.190 nan 0.000 0.453 1096 G N -0.433 108.058 108.800 -0.515 0.000 2.485 1096 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.221 1096 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.221 1096 G C 1.673 175.942 174.900 -1.051 0.000 1.115 1096 G CA 1.143 45.519 45.100 -1.208 0.000 0.751 1096 G HN 0.471 nan 8.290 nan 0.000 0.567 1097 K N 0.119 120.257 120.400 -0.438 0.000 2.021 1097 K HA 0.182 4.502 4.320 -0.000 0.000 0.205 1097 K C 3.018 179.492 176.600 -0.210 0.000 1.047 1097 K CA 0.788 56.977 56.287 -0.163 0.000 0.943 1097 K CB -0.206 32.318 32.500 0.041 0.000 0.725 1097 K HN 0.224 nan 8.250 nan 0.000 0.439 1098 A N 1.216 123.910 122.820 -0.210 0.000 1.978 1098 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 1098 A C 2.034 179.459 177.584 -0.265 0.000 1.170 1098 A CA 1.548 53.477 52.037 -0.180 0.000 0.636 1098 A CB -0.279 18.639 19.000 -0.137 0.000 0.810 1098 A HN 0.083 nan 8.150 nan 0.000 0.448 1099 R N -1.743 118.451 120.500 -0.509 0.000 2.161 1099 R HA 0.183 4.523 4.340 -0.000 0.000 0.213 1099 R C 1.338 177.375 176.300 -0.438 0.000 1.055 1099 R CA 0.798 56.512 56.100 -0.643 0.000 0.996 1099 R CB -0.385 28.994 30.300 -1.534 0.000 0.901 1099 R HN 0.897 nan 8.270 nan 0.000 0.456 1100 G N -0.815 107.744 108.800 -0.401 0.000 2.130 1100 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.216 1100 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.216 1100 G C 0.368 175.308 174.900 0.068 0.000 0.999 1100 G CA 0.119 45.153 45.100 -0.110 0.000 0.686 1100 G HN 0.216 nan 8.290 nan 0.000 0.515 1101 F N -0.137 119.595 119.950 -0.364 0.000 2.512 1101 F HA 0.427 4.954 4.527 -0.000 0.000 0.296 1101 F C 1.283 176.948 175.800 -0.226 0.000 1.110 1101 F CA 0.221 57.989 58.000 -0.387 0.000 1.446 1101 F CB -0.588 38.019 39.000 -0.654 0.000 1.092 1101 F HN 0.421 nan 8.300 nan 0.000 0.554 1102 F N -1.320 118.718 119.950 0.146 0.000 2.858 1102 F HA 0.584 5.111 4.527 -0.000 0.000 0.319 1102 F C -1.181 174.637 175.800 0.030 0.000 1.166 1102 F CA -2.566 55.478 58.000 0.073 0.000 0.899 1102 F CB 0.852 39.890 39.000 0.064 0.000 1.332 1102 F HN -0.209 nan 8.300 nan 0.000 0.461 1103 K N 0.041 120.672 120.400 0.385 0.000 2.466 1103 K HA 0.575 4.895 4.320 -0.000 0.000 0.260 1103 K C -1.575 175.100 176.600 0.125 0.000 1.011 1103 K CA -1.399 55.019 56.287 0.219 0.000 0.871 1103 K CB 2.344 34.916 32.500 0.120 0.000 1.404 1103 K HN 0.617 nan 8.250 nan 0.000 0.450 1104 K N 0.480 120.925 120.400 0.076 0.000 2.511 1104 K HA 0.134 4.454 4.320 -0.000 0.000 0.280 1104 K C 0.627 177.228 176.600 0.001 0.000 1.008 1104 K CA 0.777 57.074 56.287 0.016 0.000 1.050 1104 K CB 0.057 32.567 32.500 0.017 0.000 0.889 1104 K HN 0.999 nan 8.250 nan 0.000 0.484 1105 G N 2.242 111.023 108.800 -0.032 0.000 2.278 1105 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.210 1105 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.210 1105 G C -0.234 174.643 174.900 -0.038 0.000 1.000 1105 G CA -0.279 44.805 45.100 -0.026 0.000 0.635 1105 G HN 0.666 nan 8.290 nan 0.000 0.495 1106 D N 0.266 120.633 120.400 -0.055 0.000 2.360 1106 D HA 0.474 5.114 4.640 -0.000 0.000 0.242 1106 D C 0.280 176.504 176.300 -0.126 0.000 1.184 1106 D CA -0.026 53.936 54.000 -0.063 0.000 0.930 1106 D CB 2.212 43.002 40.800 -0.016 0.000 1.161 1106 D HN 0.177 nan 8.370 nan 0.000 0.447 1107 V N 1.166 121.022 119.914 -0.096 0.000 2.612 1107 V HA 0.458 4.578 4.120 -0.000 0.000 0.301 1107 V C -0.309 175.707 176.094 -0.130 0.000 1.046 1107 V CA -0.301 61.938 62.300 -0.101 0.000 0.946 1107 V CB 1.950 33.742 31.823 -0.051 0.000 1.003 1107 V HN 0.257 nan 8.190 nan 0.000 0.459 1108 V N 5.616 125.450 119.914 -0.135 0.000 3.049 1108 V HA 0.510 4.629 4.120 -0.000 0.000 0.309 1108 V C -1.041 175.017 176.094 -0.060 0.000 1.148 1108 V CA -0.752 61.478 62.300 -0.116 0.000 0.990 1108 V CB 2.325 34.017 31.823 -0.218 0.000 1.039 1108 V HN 0.637 nan 8.190 nan 0.000 0.430 1109 I N 3.762 124.317 120.570 -0.024 0.000 2.315 1109 I HA 0.398 4.568 4.170 -0.000 0.000 0.291 1109 I C -0.097 176.021 176.117 0.003 0.000 1.006 1109 I CA -0.385 60.909 61.300 -0.010 0.000 1.265 1109 I CB 1.345 39.342 38.000 -0.005 0.000 1.387 1109 I HN 0.202 nan 8.210 nan 0.000 0.475 1110 V N 8.034 127.949 119.914 0.002 0.000 2.384 1110 V HA 0.435 4.555 4.120 -0.000 0.000 0.287 1110 V C 0.098 176.208 176.094 0.026 0.000 1.020 1110 V CA -0.617 61.689 62.300 0.009 0.000 0.850 1110 V CB 1.956 33.775 31.823 -0.008 0.000 0.987 1110 V HN 0.431 nan 8.190 nan 0.000 0.436 1111 L N 5.655 126.900 121.223 0.037 0.000 2.296 1111 L HA 0.823 5.163 4.340 -0.000 0.000 0.286 1111 L C 0.265 177.167 176.870 0.053 0.000 1.023 1111 L CA 0.001 54.874 54.840 0.055 0.000 0.812 1111 L CB 2.102 44.202 42.059 0.068 0.000 1.223 1111 L HN 0.889 nan 8.230 nan 0.000 0.421 1112 T N -0.634 113.963 114.554 0.072 0.000 2.787 1112 T HA 0.604 4.954 4.350 -0.000 0.000 0.297 1112 T C -0.270 174.512 174.700 0.135 0.000 1.221 1112 T CA -0.711 61.436 62.100 0.078 0.000 1.006 1112 T CB 1.653 70.531 68.868 0.017 0.000 1.328 1112 T HN 0.564 nan 8.240 nan 0.000 0.509 1113 G N 0.063 108.993 108.800 0.217 0.000 2.325 1113 G HA2 0.383 4.343 3.960 -0.000 0.000 0.298 1113 G HA3 0.383 4.343 3.960 -0.000 0.000 0.298 1113 G C 0.563 175.719 174.900 0.427 0.000 1.134 1113 G CA -0.841 44.415 45.100 0.261 0.000 0.876 1113 G HN 0.788 nan 8.290 nan 0.000 0.452 1114 W N 3.630 124.989 121.300 0.099 0.000 2.315 1114 W HA -0.108 4.552 4.660 -0.000 0.000 0.323 1114 W C 0.550 177.213 176.519 0.240 0.000 1.233 1114 W CA 0.898 58.322 57.345 0.132 0.000 1.267 1114 W CB 0.333 29.786 29.460 -0.010 0.000 1.160 1114 W HN 0.459 nan 8.180 nan 0.000 0.474 1115 R N -1.296 119.114 120.500 -0.150 0.000 2.960 1115 R HA 0.216 4.556 4.340 -0.000 0.000 0.249 1115 R C -1.472 174.005 176.300 -1.373 0.000 1.192 1115 R CA -1.364 54.267 56.100 -0.781 0.000 1.035 1115 R CB -0.266 29.700 30.300 -0.556 0.000 1.234 1115 R HN -0.280 nan 8.270 nan 0.000 0.493 1116 P HA -0.015 nan 4.420 nan 0.000 0.226 1116 P C 0.398 177.291 177.300 -0.679 0.000 1.153 1116 P CA 0.989 63.084 63.100 -1.675 0.000 0.777 1116 P CB 0.205 31.264 31.700 -1.070 0.000 0.794 1117 G N -1.084 107.443 108.800 -0.456 0.000 4.044 1117 G HA2 0.116 4.076 3.960 -0.000 0.000 0.297 1117 G HA3 0.116 4.076 3.960 -0.000 0.000 0.297 1117 G C 1.138 175.952 174.900 -0.143 0.000 1.101 1117 G CA -0.009 44.958 45.100 -0.221 0.000 0.884 1117 G HN 0.016 nan 8.290 nan 0.000 0.538 1118 S N 0.286 115.885 115.700 -0.169 0.000 2.353 1118 S HA 0.072 4.542 4.470 -0.000 0.000 0.222 1118 S C 2.345 176.916 174.600 -0.049 0.000 1.035 1118 S CA 2.096 60.227 58.200 -0.115 0.000 1.025 1118 S CB -0.126 63.011 63.200 -0.105 0.000 0.902 1118 S HN 1.375 nan 8.310 nan 0.000 0.440 1119 G N 0.413 109.233 108.800 0.033 0.000 2.254 1119 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.225 1119 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.225 1119 G C 0.098 175.203 174.900 0.343 0.000 1.003 1119 G CA 0.217 45.423 45.100 0.176 0.000 0.622 1119 G HN 0.916 nan 8.290 nan 0.000 0.507 1120 F N -1.428 118.560 119.950 0.064 0.000 2.807 1120 F HA 0.633 5.160 4.527 -0.000 0.000 0.316 1120 F C -0.107 175.751 175.800 0.097 0.000 1.162 1120 F CA -0.704 57.337 58.000 0.068 0.000 0.910 1120 F CB 0.388 39.420 39.000 0.053 0.000 1.314 1120 F HN 0.463 nan 8.300 nan 0.000 0.454 1121 T N 0.666 115.365 114.554 0.242 0.000 2.848 1121 T HA 0.219 4.569 4.350 -0.000 0.000 0.283 1121 T C 0.217 174.975 174.700 0.096 0.000 0.919 1121 T CA -0.177 61.998 62.100 0.125 0.000 1.071 1121 T CB -0.305 68.649 68.868 0.143 0.000 0.912 1121 T HN 0.769 nan 8.240 nan 0.000 0.570 1122 N N 1.550 120.151 118.700 -0.165 0.000 2.254 1122 N HA 0.032 4.772 4.740 -0.000 0.000 0.190 1122 N C -0.334 175.164 175.510 -0.020 0.000 1.107 1122 N CA -0.404 52.513 53.050 -0.222 0.000 0.869 1122 N CB 0.302 38.365 38.487 -0.707 0.000 0.983 1122 N HN 0.493 nan 8.380 nan 0.000 0.487 1123 T N 1.863 116.451 114.554 0.056 0.000 2.772 1123 T HA 0.346 4.696 4.350 -0.000 0.000 0.288 1123 T C -0.461 174.290 174.700 0.084 0.000 0.994 1123 T CA -0.608 61.553 62.100 0.100 0.000 0.951 1123 T CB 1.542 70.558 68.868 0.247 0.000 0.933 1123 T HN 0.068 nan 8.240 nan 0.000 0.447 1124 M N 3.798 123.433 119.600 0.057 0.000 2.383 1124 M HA 0.602 5.082 4.480 -0.000 0.000 0.325 1124 M C -1.226 175.093 176.300 0.031 0.000 1.092 1124 M CA -0.644 54.684 55.300 0.045 0.000 0.961 1124 M CB 1.804 34.429 32.600 0.041 0.000 1.672 1124 M HN 0.621 nan 8.290 nan 0.000 0.438 1125 R N 2.670 123.184 120.500 0.023 0.000 2.604 1125 R HA 0.634 4.974 4.340 -0.000 0.000 0.281 1125 R C -1.770 174.527 176.300 -0.004 0.000 1.020 1125 R CA -0.644 55.463 56.100 0.012 0.000 0.899 1125 R CB 2.512 32.823 30.300 0.020 0.000 1.205 1125 R HN 0.591 nan 8.270 nan 0.000 0.450 1126 V N 4.673 124.580 119.914 -0.011 0.000 2.432 1126 V HA 0.438 4.558 4.120 -0.000 0.000 0.275 1126 V C -0.182 175.893 176.094 -0.032 0.000 1.043 1126 V CA -0.303 61.983 62.300 -0.024 0.000 0.925 1126 V CB 1.408 33.217 31.823 -0.023 0.000 0.985 1126 V HN 0.455 nan 8.190 nan 0.000 0.466 1127 V N 6.521 126.404 119.914 -0.051 0.000 3.130 1127 V HA 0.606 4.726 4.120 -0.000 0.000 0.310 1127 V C -2.744 173.293 176.094 -0.095 0.000 1.158 1127 V CA -2.039 60.222 62.300 -0.064 0.000 1.029 1127 V CB 2.795 34.578 31.823 -0.067 0.000 1.057 1127 V HN 0.648 nan 8.190 nan 0.000 0.436 1128 P HA 0.451 nan 4.420 nan 0.000 0.304 1128 P C -0.916 176.303 177.300 -0.135 0.000 1.365 1128 P CA -0.556 62.480 63.100 -0.107 0.000 0.935 1128 P CB 1.587 33.246 31.700 -0.068 0.000 1.091 1129 V N 6.185 125.986 119.914 -0.188 0.000 2.585 1129 V HA 0.105 4.225 4.120 -0.000 0.000 0.296 1129 V C -1.622 174.416 176.094 -0.094 0.000 1.035 1129 V CA -0.879 61.298 62.300 -0.204 0.000 1.084 1129 V CB -0.216 31.429 31.823 -0.297 0.000 0.953 1129 V HN 0.549 nan 8.190 nan 0.000 0.483 1130 P HA 0.000 nan 4.420 nan 0.000 0.216 1130 P CA 0.000 63.083 63.100 -0.029 0.000 0.800 1130 P CB 0.000 31.688 31.700 -0.020 0.000 0.726