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 3ai7_1_G DATA FIRST_RESID 2 DATA SEQUENCE TSPVIGTPWK KLNAPVSEEA LEGVDKYWRV ANYLSIGQIY LRSNPLMKEP DATA SEQUENCE FTREDVKHRL VGHWGTTPGL NFLIGHINRF IADHGQNTVI IMGPGHGGPA DATA SEQUENCE GTSQSYLDGT YTETFPKITK DEAGLQKFFR QFSYPGGIPS HFAPETPGSI DATA SEQUENCE HEGGELGYAL SHAYGAIMDN PSLFVPAIVG DGEAETGPLA TGWQSNKLVN DATA SEQUENCE PRTDGIVLPI LHLNGYKIAN PTILSRISDE ELHEFFHGMG YEPYEFVAGF DATA SEQUENCE DDEDHMSIHR RFAELWETIW DEICDIKATA QTDNVHRPFY PMLIFRTPKG DATA SEQUENCE WTCPKYIDGK KTEGSWRSHQ VPLASARDTE AHFEVLKNWL ESYKPEELFD DATA SEQUENCE ANGAVKDDVL AFMPKGELRI GANPNANGGV IRNDLKLPNL EDYEVKEVAE DATA SEQUENCE YGHGWGQLEA TRTLGAYTRD IIKNNPRDFR IFGPDETASN RLQASYEVTN DATA SEQUENCE KQWDAGYISD EVDEHMHVSG QVVEQLSEHQ MEGFLEAYLL TGRHGIWSSY DATA SEQUENCE ESFVHVIDSM LNQHAKWLEA TVREIPWRKP IASMNLLVSS HVWRQDHNGF DATA SEQUENCE SHQDPGVTSV LLNKCFHNDH VIGIYFATDA NMLLAIAEKC YKSTNKINAI DATA SEQUENCE IAGKQPAATW LTLDEARAEL EKGAAAWDWA STAKNNDEAE VVLAAAGDVP DATA SEQUENCE TQEIMAASDK LKELGVKFKV VNVADLLSLQ SAKENDEALT DEEFADIFTA DATA SEQUENCE DKPVLFAYHS YAHDVRGLIY DRPNHDNFNV HGYEEEGSTT TPYDMVRVNR DATA SEQUENCE IDRYELTAEA LRMIDADKYA DKIDELEKFR DEAFQFAVDN GYDHPDYTDW DATA SEQUENCE VYSGVNTDKK GAV 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.730 174.700 0.050 0.000 1.109 2 T CA 0.000 62.140 62.100 0.066 0.000 1.349 2 T CB 0.000 68.914 68.868 0.077 0.000 0.612 3 S N 3.208 118.937 115.700 0.049 0.000 2.552 3 S HA 0.373 4.842 4.470 -0.001 0.000 0.289 3 S C -1.867 172.766 174.600 0.056 0.000 1.304 3 S CA -0.505 57.723 58.200 0.046 0.000 1.063 3 S CB -0.261 62.978 63.200 0.064 0.000 0.848 3 S HN 0.768 nan 8.310 nan 0.000 0.499 4 P HA 0.213 nan 4.420 nan 0.000 0.274 4 P C -0.913 176.418 177.300 0.052 0.000 1.231 4 P CA -0.455 62.672 63.100 0.045 0.000 0.790 4 P CB 0.480 32.200 31.700 0.034 0.000 0.951 5 V N 4.362 124.306 119.914 0.050 0.000 2.385 5 V HA 0.248 4.367 4.120 -0.001 0.000 0.269 5 V C 0.667 176.775 176.094 0.024 0.000 1.043 5 V CA -0.167 62.162 62.300 0.050 0.000 0.906 5 V CB 0.214 32.071 31.823 0.057 0.000 0.995 5 V HN 0.391 nan 8.190 nan 0.000 0.467 6 I N 4.365 124.940 120.570 0.008 0.000 2.474 6 I HA 0.744 4.913 4.170 -0.001 0.000 0.294 6 I C 0.898 176.992 176.117 -0.039 0.000 1.005 6 I CA 0.057 61.351 61.300 -0.010 0.000 1.113 6 I CB 1.732 39.730 38.000 -0.005 0.000 1.289 6 I HN 0.836 nan 8.210 nan 0.000 0.436 7 G N 4.241 113.016 108.800 -0.042 0.000 2.601 7 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.252 7 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.252 7 G C -0.042 174.823 174.900 -0.058 0.000 1.294 7 G CA -0.018 45.045 45.100 -0.061 0.000 0.912 7 G HN 0.811 nan 8.290 nan 0.000 0.574 8 T N 0.132 114.644 114.554 -0.070 0.000 3.029 8 T HA 0.649 4.999 4.350 -0.001 0.000 0.346 8 T C -2.078 172.569 174.700 -0.088 0.000 1.211 8 T CA -0.818 61.254 62.100 -0.046 0.000 1.009 8 T CB 1.879 70.735 68.868 -0.020 0.000 1.084 8 T HN 0.651 nan 8.240 nan 0.000 0.536 9 P HA 0.154 nan 4.420 nan 0.000 0.274 9 P C -0.325 176.803 177.300 -0.287 0.000 1.231 9 P CA -0.225 62.582 63.100 -0.488 0.000 0.790 9 P CB 0.317 31.553 31.700 -0.774 0.000 0.951 10 W N -0.357 121.097 121.300 0.256 0.000 5.361 10 W HA -0.182 4.478 4.660 -0.001 0.000 0.385 10 W C -0.046 176.539 176.519 0.109 0.000 1.458 10 W CA -0.106 57.281 57.345 0.069 0.000 0.922 10 W CB -2.160 27.243 29.460 -0.094 0.000 2.606 10 W HN 0.205 nan 8.180 nan 0.000 1.450 11 K N 1.289 121.939 120.400 0.417 0.000 2.159 11 K HA 0.427 4.747 4.320 -0.001 0.000 0.266 11 K C 0.619 177.563 176.600 0.574 0.000 0.975 11 K CA -0.809 55.694 56.287 0.359 0.000 0.865 11 K CB 1.322 33.964 32.500 0.236 0.000 1.087 11 K HN 0.053 nan 8.250 nan 0.000 0.446 12 K N 1.604 122.222 120.400 0.363 0.000 2.168 12 K HA 0.103 4.423 4.320 -0.001 0.000 0.258 12 K C 1.269 178.071 176.600 0.337 0.000 1.010 12 K CA -0.493 56.042 56.287 0.413 0.000 0.929 12 K CB 0.683 33.312 32.500 0.214 0.000 0.998 12 K HN 0.230 nan 8.250 nan 0.000 0.479 13 L N 2.272 123.709 121.223 0.355 0.000 2.095 13 L HA -0.055 4.284 4.340 -0.001 0.000 0.204 13 L C -0.321 176.588 176.870 0.065 0.000 1.080 13 L CA 1.586 56.467 54.840 0.068 0.000 0.759 13 L CB -0.727 41.365 42.059 0.056 0.000 0.914 13 L HN 0.838 nan 8.230 nan 0.000 0.439 14 N N -0.626 118.138 118.700 0.107 0.000 2.738 14 N HA -0.073 4.667 4.740 -0.001 0.000 0.249 14 N C -0.471 175.068 175.510 0.049 0.000 1.047 14 N CA 0.331 53.424 53.050 0.072 0.000 0.707 14 N CB -1.124 37.398 38.487 0.058 0.000 0.937 14 N HN 0.605 nan 8.380 nan 0.000 0.545 15 A N -1.115 121.738 122.820 0.055 0.000 2.574 15 A HA 0.557 4.876 4.320 -0.001 0.000 0.298 15 A C -2.807 174.811 177.584 0.058 0.000 0.987 15 A CA -1.147 50.915 52.037 0.043 0.000 0.678 15 A CB 0.724 19.736 19.000 0.020 0.000 1.296 15 A HN -0.010 nan 8.150 nan 0.000 0.420 16 P HA 0.456 nan 4.420 nan 0.000 0.274 16 P C -0.184 177.155 177.300 0.065 0.000 1.246 16 P CA -0.414 62.729 63.100 0.072 0.000 0.795 16 P CB 0.458 32.198 31.700 0.067 0.000 1.006 17 V N 1.273 121.237 119.914 0.084 0.000 2.655 17 V HA 0.067 4.186 4.120 -0.001 0.000 0.300 17 V C 1.069 177.192 176.094 0.048 0.000 1.044 17 V CA 0.044 62.385 62.300 0.070 0.000 1.095 17 V CB 0.184 32.066 31.823 0.098 0.000 0.952 17 V HN 0.791 nan 8.190 nan 0.000 0.485 18 S N 2.864 118.579 115.700 0.024 0.000 2.576 18 S HA 0.121 4.590 4.470 -0.001 0.000 0.276 18 S C 1.009 175.617 174.600 0.013 0.000 1.339 18 S CA -0.018 58.192 58.200 0.017 0.000 1.039 18 S CB 1.199 64.402 63.200 0.004 0.000 0.902 18 S HN 0.795 nan 8.310 nan 0.000 0.516 19 E N 1.447 121.659 120.200 0.021 0.000 2.085 19 E HA -0.235 4.114 4.350 -0.001 0.000 0.194 19 E C 1.817 178.414 176.600 -0.006 0.000 0.994 19 E CA 2.126 58.539 56.400 0.022 0.000 0.801 19 E CB -0.344 29.375 29.700 0.031 0.000 0.743 19 E HN 0.900 nan 8.360 nan 0.000 0.453 20 E N -0.779 119.415 120.200 -0.010 0.000 2.077 20 E HA -0.181 4.169 4.350 -0.001 0.000 0.193 20 E C 1.905 178.471 176.600 -0.056 0.000 0.989 20 E CA 1.023 57.410 56.400 -0.022 0.000 0.800 20 E CB -0.247 29.448 29.700 -0.007 0.000 0.746 20 E HN 0.359 nan 8.360 nan 0.000 0.452 21 A N 0.854 123.640 122.820 -0.057 0.000 1.930 21 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 21 A C 2.146 179.559 177.584 -0.286 0.000 1.175 21 A CA 0.883 52.855 52.037 -0.108 0.000 0.627 21 A CB -0.497 18.476 19.000 -0.046 0.000 0.815 21 A HN 0.290 nan 8.150 nan 0.000 0.443 22 L N -0.809 120.295 121.223 -0.199 0.000 2.141 22 L HA -0.161 4.178 4.340 -0.001 0.000 0.209 22 L C 2.459 179.150 176.870 -0.299 0.000 1.094 22 L CA 1.317 56.002 54.840 -0.258 0.000 0.763 22 L CB -0.607 41.420 42.059 -0.052 0.000 0.908 22 L HN 0.475 nan 8.230 nan 0.000 0.437 23 E N 0.223 120.318 120.200 -0.175 0.000 2.110 23 E HA -0.158 4.192 4.350 -0.001 0.000 0.193 23 E C 2.228 178.692 176.600 -0.226 0.000 0.988 23 E CA 1.013 57.334 56.400 -0.131 0.000 0.804 23 E CB -0.220 29.446 29.700 -0.056 0.000 0.745 23 E HN 0.549 nan 8.360 nan 0.000 0.458 24 G N 0.778 109.378 108.800 -0.333 0.000 2.408 24 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.217 24 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.217 24 G C 1.727 176.062 174.900 -0.942 0.000 1.150 24 G CA 0.494 45.330 45.100 -0.440 0.000 0.776 24 G HN 0.109 nan 8.290 nan 0.000 0.542 25 V N 1.099 120.288 119.914 -1.209 0.000 2.358 25 V HA -0.154 3.965 4.120 -0.001 0.000 0.246 25 V C 2.473 178.132 176.094 -0.725 0.000 1.047 25 V CA 2.218 63.779 62.300 -1.231 0.000 1.035 25 V CB -0.392 30.603 31.823 -1.379 0.000 0.658 25 V HN 0.362 nan 8.190 nan 0.000 0.452 26 D N 0.108 120.128 120.400 -0.634 0.000 2.123 26 D HA -0.184 4.455 4.640 -0.001 0.000 0.196 26 D C 2.227 178.564 176.300 0.061 0.000 0.992 26 D CA 1.382 55.314 54.000 -0.114 0.000 0.833 26 D CB -0.086 40.790 40.800 0.125 0.000 0.954 26 D HN 0.374 nan 8.370 nan 0.000 0.455 27 K N -1.039 119.335 120.400 -0.044 0.000 2.097 27 K HA -0.190 4.129 4.320 -0.001 0.000 0.206 27 K C 2.144 178.758 176.600 0.023 0.000 1.049 27 K CA 1.057 57.341 56.287 -0.006 0.000 0.933 27 K CB -0.354 32.128 32.500 -0.030 0.000 0.717 27 K HN 0.307 nan 8.250 nan 0.000 0.442 28 Y N 0.134 120.411 120.300 -0.038 0.000 2.145 28 Y HA -0.299 4.250 4.550 -0.001 0.000 0.286 28 Y C 2.241 178.195 175.900 0.091 0.000 1.145 28 Y CA 1.582 59.717 58.100 0.058 0.000 1.148 28 Y CB -0.243 38.300 38.460 0.139 0.000 0.981 28 Y HN 0.188 nan 8.280 nan 0.000 0.507 29 W N 1.838 123.168 121.300 0.050 0.000 2.335 29 W HA -0.188 4.472 4.660 -0.000 0.000 0.311 29 W C 2.366 178.861 176.519 -0.040 0.000 1.213 29 W CA 2.263 59.627 57.345 0.031 0.000 1.274 29 W CB -0.697 28.789 29.460 0.044 0.000 1.148 29 W HN 0.031 nan 8.180 nan 0.000 0.498 30 R N -0.543 119.973 120.500 0.027 0.000 2.094 30 R HA -0.190 4.150 4.340 -0.001 0.000 0.239 30 R C 2.290 178.488 176.300 -0.170 0.000 1.137 30 R CA 2.113 58.168 56.100 -0.076 0.000 0.943 30 R CB -1.424 28.919 30.300 0.072 0.000 0.850 30 R HN 0.147 nan 8.270 nan 0.000 0.433 31 V N 0.687 120.506 119.914 -0.157 0.000 2.427 31 V HA -0.174 3.946 4.120 -0.001 0.000 0.248 31 V C 2.164 178.174 176.094 -0.140 0.000 1.051 31 V CA 1.921 64.121 62.300 -0.168 0.000 1.048 31 V CB -0.300 31.341 31.823 -0.304 0.000 0.666 31 V HN 0.456 nan 8.190 nan 0.000 0.456 32 A N 0.107 122.760 122.820 -0.278 0.000 1.902 32 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 32 A C 1.997 179.494 177.584 -0.145 0.000 1.181 32 A CA 2.004 53.898 52.037 -0.238 0.000 0.623 32 A CB -0.779 18.005 19.000 -0.361 0.000 0.818 32 A HN 0.627 nan 8.150 nan 0.000 0.443 33 N N -1.267 117.296 118.700 -0.228 0.000 2.069 33 N HA -0.192 4.547 4.740 -0.001 0.000 0.191 33 N C 1.572 176.798 175.510 -0.472 0.000 1.031 33 N CA 1.759 54.619 53.050 -0.316 0.000 0.852 33 N CB -0.709 37.386 38.487 -0.654 0.000 1.018 33 N HN 0.667 nan 8.380 nan 0.000 0.423 34 Y N 1.576 121.492 120.300 -0.639 0.000 2.128 34 Y HA -0.113 4.436 4.550 -0.002 0.000 0.284 34 Y C 2.142 177.859 175.900 -0.305 0.000 1.154 34 Y CA 1.435 59.269 58.100 -0.443 0.000 1.149 34 Y CB -0.289 38.087 38.460 -0.140 0.000 0.976 34 Y HN -0.006 nan 8.280 nan 0.000 0.505 35 L N -1.196 120.064 121.223 0.063 0.000 2.201 35 L HA -0.201 4.139 4.340 -0.001 0.000 0.212 35 L C 2.412 179.116 176.870 -0.276 0.000 1.105 35 L CA 1.237 56.142 54.840 0.109 0.000 0.775 35 L CB -0.607 41.667 42.059 0.358 0.000 0.913 35 L HN 0.114 nan 8.230 nan 0.000 0.440 36 S N 0.208 115.749 115.700 -0.265 0.000 2.357 36 S HA -0.035 4.434 4.470 -0.001 0.000 0.221 36 S C 1.987 176.344 174.600 -0.405 0.000 1.031 36 S CA 0.972 58.996 58.200 -0.294 0.000 0.982 36 S CB -0.176 62.991 63.200 -0.056 0.000 0.853 36 S HN 0.262 nan 8.310 nan 0.000 0.458 37 I N 1.840 122.116 120.570 -0.489 0.000 2.208 37 I HA -0.153 4.016 4.170 -0.001 0.000 0.245 37 I C 2.671 178.309 176.117 -0.798 0.000 1.097 37 I CA 1.244 62.109 61.300 -0.725 0.000 1.363 37 I CB -0.840 36.404 38.000 -1.261 0.000 1.051 37 I HN 0.364 nan 8.210 nan 0.000 0.413 38 G N -0.230 107.835 108.800 -1.225 0.000 2.422 38 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.218 38 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.218 38 G C 1.617 175.742 174.900 -1.293 0.000 1.146 38 G CA 0.404 44.415 45.100 -1.814 0.000 0.769 38 G HN 0.400 nan 8.290 nan 0.000 0.547 39 Q N -0.518 118.675 119.800 -1.012 0.000 2.167 39 Q HA 0.082 4.421 4.340 -0.001 0.000 0.202 39 Q C 2.543 178.350 176.000 -0.322 0.000 0.970 39 Q CA 0.658 56.107 55.803 -0.589 0.000 0.855 39 Q CB -0.076 28.143 28.738 -0.865 0.000 0.911 39 Q HN 0.549 nan 8.270 nan 0.000 0.438 40 I N -1.242 119.109 120.570 -0.366 0.000 2.333 40 I HA -0.216 3.953 4.170 -0.001 0.000 0.246 40 I C 1.295 177.253 176.117 -0.265 0.000 1.106 40 I CA 1.132 62.307 61.300 -0.208 0.000 1.411 40 I CB 0.036 37.902 38.000 -0.224 0.000 1.082 40 I HN 0.177 nan 8.210 nan 0.000 0.420 41 Y N -0.027 120.116 120.300 -0.261 0.000 2.479 41 Y HA 0.288 4.838 4.550 -0.001 0.000 0.283 41 Y C 0.759 176.591 175.900 -0.113 0.000 1.109 41 Y CA 0.029 58.023 58.100 -0.177 0.000 1.239 41 Y CB 0.444 38.757 38.460 -0.244 0.000 1.108 41 Y HN -0.116 nan 8.280 nan 0.000 0.548 42 L N 2.195 123.408 121.223 -0.017 0.000 2.265 42 L HA 0.341 4.681 4.340 -0.001 0.000 0.289 42 L C 1.078 177.982 176.870 0.058 0.000 1.033 42 L CA -0.363 54.513 54.840 0.061 0.000 0.814 42 L CB 1.581 43.694 42.059 0.089 0.000 1.203 42 L HN 0.234 nan 8.230 nan 0.000 0.423 43 R N 1.225 121.749 120.500 0.041 0.000 2.200 43 R HA 0.106 4.446 4.340 -0.001 0.000 0.208 43 R C 0.272 176.575 176.300 0.005 0.000 1.033 43 R CA 0.451 56.538 56.100 -0.022 0.000 1.000 43 R CB 0.100 30.396 30.300 -0.007 0.000 0.906 43 R HN 0.614 nan 8.270 nan 0.000 0.462 44 S N -0.888 114.854 115.700 0.070 0.000 2.672 44 S HA 0.244 4.713 4.470 -0.001 0.000 0.271 44 S C -0.817 173.858 174.600 0.124 0.000 1.171 44 S CA -0.812 57.430 58.200 0.069 0.000 0.817 44 S CB 0.965 64.193 63.200 0.047 0.000 1.150 44 S HN 0.211 nan 8.310 nan 0.000 0.478 45 N N 1.574 120.320 118.700 0.077 0.000 2.726 45 N HA -0.082 4.657 4.740 -0.001 0.000 0.253 45 N C -1.624 173.907 175.510 0.035 0.000 1.059 45 N CA 0.785 53.883 53.050 0.079 0.000 0.701 45 N CB -0.579 38.033 38.487 0.208 0.000 0.899 45 N HN 0.505 nan 8.380 nan 0.000 0.548 46 P HA -0.096 nan 4.420 nan 0.000 0.222 46 P C 1.068 178.370 177.300 0.003 0.000 1.147 46 P CA 0.944 64.073 63.100 0.047 0.000 0.790 46 P CB 0.235 31.689 31.700 -0.410 0.000 0.780 47 L N -1.154 119.972 121.223 -0.161 0.000 2.910 47 L HA 0.340 4.679 4.340 -0.001 0.000 0.252 47 L C 0.698 177.426 176.870 -0.237 0.000 1.195 47 L CA -0.260 54.439 54.840 -0.235 0.000 1.003 47 L CB -0.587 41.272 42.059 -0.333 0.000 1.328 47 L HN -0.205 nan 8.230 nan 0.000 0.540 48 M N 0.046 119.440 119.600 -0.342 0.000 2.249 48 M HA -0.235 4.244 4.480 -0.001 0.000 0.198 48 M C -0.149 176.074 176.300 -0.127 0.000 0.394 48 M CA 0.997 55.974 55.300 -0.539 0.000 0.427 48 M CB -1.665 30.438 32.600 -0.828 0.000 1.307 48 M HN 0.237 nan 8.290 nan 0.000 0.924 49 K N 1.020 121.396 120.400 -0.039 0.000 2.258 49 K HA 0.245 4.564 4.320 -0.001 0.000 0.264 49 K C 0.470 177.123 176.600 0.089 0.000 1.007 49 K CA -0.383 55.913 56.287 0.014 0.000 0.941 49 K CB 0.569 33.064 32.500 -0.008 0.000 0.966 49 K HN 0.135 nan 8.250 nan 0.000 0.480 50 E N 2.905 123.147 120.200 0.070 0.000 2.376 50 E HA 0.070 4.419 4.350 -0.001 0.000 0.266 50 E C -2.287 174.354 176.600 0.068 0.000 1.009 50 E CA -1.308 55.143 56.400 0.084 0.000 0.902 50 E CB 0.291 30.023 29.700 0.055 0.000 0.972 50 E HN 0.142 nan 8.360 nan 0.000 0.439 51 P HA 0.188 nan 4.420 nan 0.000 0.282 51 P C -1.336 176.060 177.300 0.160 0.000 1.262 51 P CA -0.178 62.975 63.100 0.088 0.000 0.773 51 P CB 0.286 32.003 31.700 0.028 0.000 0.879 52 F N 3.693 123.678 119.950 0.058 0.000 2.385 52 F HA 0.490 5.016 4.527 -0.002 0.000 0.360 52 F C 0.199 176.076 175.800 0.128 0.000 1.122 52 F CA -0.078 57.991 58.000 0.115 0.000 1.090 52 F CB 0.899 39.991 39.000 0.154 0.000 1.150 52 F HN 0.404 nan 8.300 nan 0.000 0.472 53 T N 2.070 116.325 114.554 -0.498 0.000 2.804 53 T HA 0.290 4.639 4.350 -0.001 0.000 0.290 53 T C 0.922 175.005 174.700 -1.028 0.000 1.099 53 T CA -0.938 60.643 62.100 -0.866 0.000 1.011 53 T CB 1.554 70.132 68.868 -0.483 0.000 1.291 53 T HN 0.738 nan 8.240 nan 0.000 0.523 54 R N 0.380 120.149 120.500 -1.219 0.000 2.303 54 R HA -0.064 4.275 4.340 -0.001 0.000 0.225 54 R C 1.652 177.773 176.300 -0.297 0.000 1.114 54 R CA 1.709 57.424 56.100 -0.642 0.000 1.007 54 R CB -0.462 29.559 30.300 -0.464 0.000 0.861 54 R HN 0.826 nan 8.270 nan 0.000 0.471 55 E N 1.060 121.089 120.200 -0.285 0.000 2.285 55 E HA -0.126 4.223 4.350 -0.001 0.000 0.194 55 E C 0.625 177.164 176.600 -0.102 0.000 0.997 55 E CA 0.786 57.089 56.400 -0.162 0.000 0.845 55 E CB 0.127 29.755 29.700 -0.121 0.000 0.782 55 E HN 0.379 nan 8.360 nan 0.000 0.491 56 D N 0.274 120.636 120.400 -0.064 0.000 2.349 56 D HA -0.009 4.631 4.640 -0.001 0.000 0.224 56 D C -0.037 176.321 176.300 0.098 0.000 1.029 56 D CA 0.250 54.294 54.000 0.072 0.000 0.879 56 D CB 0.608 41.561 40.800 0.254 0.000 0.906 56 D HN 0.014 nan 8.370 nan 0.000 0.528 57 V N 1.388 121.322 119.914 0.033 0.000 2.481 57 V HA 0.085 4.204 4.120 -0.001 0.000 0.286 57 V C 0.688 176.765 176.094 -0.028 0.000 1.042 57 V CA -0.900 61.445 62.300 0.075 0.000 0.928 57 V CB 1.864 33.766 31.823 0.133 0.000 0.986 57 V HN -0.151 nan 8.190 nan 0.000 0.462 58 K N 3.234 123.644 120.400 0.017 0.000 2.527 58 K HA -0.003 4.317 4.320 -0.001 0.000 0.278 58 K C 1.105 177.696 176.600 -0.016 0.000 0.981 58 K CA -0.040 56.259 56.287 0.019 0.000 1.009 58 K CB 0.213 32.757 32.500 0.074 0.000 0.895 58 K HN 0.658 nan 8.250 nan 0.000 0.493 59 H N 1.812 120.931 119.070 0.082 0.000 2.353 59 H HA -0.041 4.514 4.556 -0.001 0.000 0.300 59 H C 0.381 175.718 175.328 0.014 0.000 1.090 59 H CA 1.357 57.429 56.048 0.039 0.000 1.327 59 H CB 0.392 30.168 29.762 0.023 0.000 1.383 59 H HN 0.305 nan 8.280 nan 0.000 0.508 60 R N 0.779 121.359 120.500 0.133 0.000 2.534 60 R HA 0.342 4.681 4.340 -0.001 0.000 0.301 60 R C -0.883 175.413 176.300 -0.006 0.000 0.961 60 R CA -0.588 55.537 56.100 0.041 0.000 0.871 60 R CB 1.510 31.816 30.300 0.010 0.000 1.170 60 R HN 0.050 nan 8.270 nan 0.000 0.446 61 L N 4.253 125.436 121.223 -0.066 0.000 2.260 61 L HA 0.455 4.795 4.340 -0.001 0.000 0.289 61 L C -0.436 176.357 176.870 -0.128 0.000 1.057 61 L CA -0.712 54.028 54.840 -0.165 0.000 0.811 61 L CB 1.403 43.278 42.059 -0.305 0.000 1.184 61 L HN 0.174 nan 8.230 nan 0.000 0.429 62 V N 2.368 122.225 119.914 -0.095 0.000 2.638 62 V HA 0.966 5.085 4.120 -0.001 0.000 0.306 62 V C 0.256 176.342 176.094 -0.014 0.000 1.052 62 V CA -0.423 61.837 62.300 -0.067 0.000 0.885 62 V CB 1.654 33.452 31.823 -0.041 0.000 0.999 62 V HN 0.988 nan 8.190 nan 0.000 0.424 63 G N 3.091 111.836 108.800 -0.091 0.000 2.339 63 G HA2 0.255 4.215 3.960 -0.001 0.000 0.381 63 G HA3 0.255 4.215 3.960 -0.001 0.000 0.381 63 G C -1.727 173.048 174.900 -0.209 0.000 1.400 63 G CA -0.978 44.169 45.100 0.078 0.000 1.002 63 G HN 0.852 nan 8.290 nan 0.000 0.633 64 H N -0.203 118.950 119.070 0.138 0.000 2.589 64 H HA 0.448 5.003 4.556 -0.001 0.000 0.335 64 H C 0.393 175.812 175.328 0.153 0.000 1.019 64 H CA -0.674 55.426 56.048 0.088 0.000 1.213 64 H CB 1.741 31.541 29.762 0.063 0.000 1.472 64 H HN 0.628 nan 8.280 nan 0.000 0.508 65 W N 3.557 124.922 121.300 0.107 0.000 2.588 65 W HA 0.043 4.703 4.660 -0.000 0.000 0.277 65 W C 1.245 177.877 176.519 0.188 0.000 1.221 65 W CA 1.035 58.474 57.345 0.156 0.000 1.355 65 W CB 0.068 29.683 29.460 0.258 0.000 1.083 65 W HN 0.810 nan 8.180 nan 0.000 0.581 66 G N 0.596 109.417 108.800 0.036 0.000 2.459 66 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.217 66 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.217 66 G C 1.443 176.296 174.900 -0.079 0.000 1.183 66 G CA 1.806 46.897 45.100 -0.016 0.000 0.776 66 G HN 0.295 nan 8.290 nan 0.000 0.552 67 T N -0.072 114.499 114.554 0.029 0.000 2.995 67 T HA -0.038 4.311 4.350 -0.001 0.000 0.269 67 T C 2.542 177.288 174.700 0.077 0.000 1.091 67 T CA 1.939 64.129 62.100 0.150 0.000 1.128 67 T CB -0.419 68.527 68.868 0.130 0.000 0.891 67 T HN 0.272 nan 8.240 nan 0.000 0.492 68 T N 2.569 117.001 114.554 -0.203 0.000 2.777 68 T HA -0.021 4.328 4.350 -0.001 0.000 0.266 68 T C -0.680 173.874 174.700 -0.243 0.000 1.040 68 T CA 1.250 63.198 62.100 -0.252 0.000 1.141 68 T CB -0.878 67.806 68.868 -0.306 0.000 0.868 68 T HN 0.485 nan 8.240 nan 0.000 0.444 69 P HA 0.082 nan 4.420 nan 0.000 0.225 69 P C 1.695 179.230 177.300 0.392 0.000 1.156 69 P CA 0.852 63.956 63.100 0.007 0.000 0.787 69 P CB -0.362 31.309 31.700 -0.048 0.000 0.802 70 G N 0.810 109.827 108.800 0.361 0.000 2.394 70 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.215 70 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.215 70 G C 1.647 176.618 174.900 0.117 0.000 1.165 70 G CA 0.306 45.678 45.100 0.454 0.000 0.784 70 G HN 0.188 nan 8.290 nan 0.000 0.535 71 L N 0.708 121.910 121.223 -0.035 0.000 2.012 71 L HA -0.134 4.205 4.340 -0.001 0.000 0.210 71 L C 2.721 179.584 176.870 -0.012 0.000 1.073 71 L CA 1.112 55.892 54.840 -0.101 0.000 0.748 71 L CB -0.583 41.416 42.059 -0.099 0.000 0.891 71 L HN 0.103 nan 8.230 nan 0.000 0.431 72 N N 0.032 118.798 118.700 0.110 0.000 2.104 72 N HA -0.226 4.513 4.740 -0.001 0.000 0.190 72 N C 1.748 177.369 175.510 0.185 0.000 1.024 72 N CA 1.406 54.600 53.050 0.242 0.000 0.853 72 N CB -0.477 38.224 38.487 0.356 0.000 1.008 72 N HN 0.247 nan 8.380 nan 0.000 0.424 73 F N 1.634 121.471 119.950 -0.188 0.000 2.069 73 F HA -0.134 4.392 4.527 -0.001 0.000 0.298 73 F C 2.151 177.676 175.800 -0.459 0.000 1.113 73 F CA 1.273 58.867 58.000 -0.677 0.000 1.214 73 F CB -0.267 38.242 39.000 -0.817 0.000 0.978 73 F HN -0.044 nan 8.300 nan 0.000 0.474 74 L N -0.186 120.892 121.223 -0.242 0.000 2.056 74 L HA -0.214 4.126 4.340 -0.001 0.000 0.207 74 L C 2.406 179.039 176.870 -0.395 0.000 1.078 74 L CA 1.320 55.897 54.840 -0.439 0.000 0.749 74 L CB -0.584 41.205 42.059 -0.450 0.000 0.901 74 L HN 0.206 nan 8.230 nan 0.000 0.433 75 I N -0.450 119.953 120.570 -0.278 0.000 2.315 75 I HA -0.163 4.007 4.170 -0.001 0.000 0.248 75 I C 2.589 178.424 176.117 -0.470 0.000 1.117 75 I CA 1.180 62.319 61.300 -0.267 0.000 1.404 75 I CB -0.697 37.234 38.000 -0.114 0.000 1.071 75 I HN 0.241 nan 8.210 nan 0.000 0.419 76 G N 0.009 108.456 108.800 -0.587 0.000 2.421 76 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.216 76 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.216 76 G C 1.588 176.089 174.900 -0.666 0.000 1.171 76 G CA 0.677 45.245 45.100 -0.886 0.000 0.775 76 G HN 0.366 nan 8.290 nan 0.000 0.543 77 H N 0.226 118.891 119.070 -0.675 0.000 2.389 77 H HA 0.081 4.637 4.556 -0.001 0.000 0.299 77 H C 2.736 177.709 175.328 -0.592 0.000 1.081 77 H CA 1.011 56.672 56.048 -0.643 0.000 1.345 77 H CB 0.079 29.402 29.762 -0.731 0.000 1.393 77 H HN 0.338 nan 8.280 nan 0.000 0.520 78 I N 0.772 121.064 120.570 -0.464 0.000 2.315 78 I HA -0.248 3.921 4.170 -0.001 0.000 0.248 78 I C 2.280 178.341 176.117 -0.094 0.000 1.117 78 I CA 0.652 61.761 61.300 -0.317 0.000 1.404 78 I CB -0.166 37.698 38.000 -0.227 0.000 1.071 78 I HN 0.161 nan 8.210 nan 0.000 0.419 79 N N 0.743 119.330 118.700 -0.188 0.000 2.069 79 N HA -0.204 4.536 4.740 -0.001 0.000 0.191 79 N C 2.013 177.483 175.510 -0.068 0.000 1.031 79 N CA 1.055 54.006 53.050 -0.165 0.000 0.852 79 N CB -0.379 37.917 38.487 -0.318 0.000 1.018 79 N HN 0.233 nan 8.380 nan 0.000 0.423 80 R N 0.892 121.428 120.500 0.060 0.000 2.083 80 R HA -0.139 4.201 4.340 -0.001 0.000 0.237 80 R C 2.184 178.513 176.300 0.048 0.000 1.137 80 R CA 1.088 57.277 56.100 0.148 0.000 0.951 80 R CB -1.119 29.160 30.300 -0.035 0.000 0.851 80 R HN 0.283 nan 8.270 nan 0.000 0.434 81 F N 1.206 121.085 119.950 -0.119 0.000 2.095 81 F HA -0.191 4.335 4.527 -0.001 0.000 0.298 81 F C 2.190 177.983 175.800 -0.011 0.000 1.104 81 F CA 1.662 59.637 58.000 -0.042 0.000 1.232 81 F CB -0.482 38.407 39.000 -0.185 0.000 0.987 81 F HN -0.022 nan 8.300 nan 0.000 0.475 82 I N 0.668 121.052 120.570 -0.311 0.000 2.151 82 I HA -0.378 3.791 4.170 -0.001 0.000 0.243 82 I C 2.755 178.682 176.117 -0.315 0.000 1.080 82 I CA 1.516 62.582 61.300 -0.390 0.000 1.339 82 I CB -1.050 36.865 38.000 -0.141 0.000 1.039 82 I HN 0.337 nan 8.210 nan 0.000 0.409 83 A N 0.094 122.787 122.820 -0.213 0.000 1.898 83 A HA -0.231 4.089 4.320 -0.001 0.000 0.216 83 A C 1.969 179.447 177.584 -0.178 0.000 1.181 83 A CA 1.992 53.923 52.037 -0.177 0.000 0.620 83 A CB -0.551 18.355 19.000 -0.156 0.000 0.819 83 A HN 0.336 nan 8.150 nan 0.000 0.442 84 D N -1.206 119.084 120.400 -0.182 0.000 2.144 84 D HA -0.092 4.547 4.640 -0.001 0.000 0.200 84 D C 1.606 177.683 176.300 -0.370 0.000 0.978 84 D CA 1.147 55.002 54.000 -0.242 0.000 0.833 84 D CB -0.244 40.419 40.800 -0.230 0.000 0.961 84 D HN 0.654 nan 8.370 nan 0.000 0.470 85 H N -1.510 117.321 119.070 -0.399 0.000 2.654 85 H HA 0.246 4.801 4.556 -0.001 0.000 0.264 85 H C 1.130 176.281 175.328 -0.295 0.000 0.954 85 H CA 0.780 56.602 56.048 -0.376 0.000 1.199 85 H CB 1.112 30.462 29.762 -0.687 0.000 1.446 85 H HN 0.136 nan 8.280 nan 0.000 0.516 86 G N 2.093 110.772 108.800 -0.202 0.000 2.182 86 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.248 86 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.248 86 G C 0.046 174.834 174.900 -0.188 0.000 1.042 86 G CA 0.376 45.379 45.100 -0.163 0.000 0.775 86 G HN 0.386 nan 8.290 nan 0.000 0.501 87 Q N 0.279 119.905 119.800 -0.290 0.000 2.303 87 Q HA 0.518 4.857 4.340 -0.001 0.000 0.257 87 Q C 0.312 176.234 176.000 -0.130 0.000 0.941 87 Q CA -0.859 54.782 55.803 -0.270 0.000 0.931 87 Q CB 0.659 29.122 28.738 -0.459 0.000 1.215 87 Q HN 0.309 nan 8.270 nan 0.000 0.437 88 N N 2.811 121.447 118.700 -0.107 0.000 2.429 88 N HA 0.069 4.809 4.740 -0.001 0.000 0.271 88 N C -1.420 174.136 175.510 0.077 0.000 1.272 88 N CA 0.517 53.553 53.050 -0.024 0.000 0.921 88 N CB 0.343 38.806 38.487 -0.040 0.000 1.128 88 N HN 0.559 nan 8.380 nan 0.000 0.481 89 T N 2.447 117.059 114.554 0.097 0.000 2.921 89 T HA 0.434 4.783 4.350 -0.001 0.000 0.297 89 T C -0.889 173.861 174.700 0.084 0.000 1.013 89 T CA -0.552 61.635 62.100 0.145 0.000 0.990 89 T CB 1.408 70.402 68.868 0.210 0.000 1.023 89 T HN 0.132 nan 8.240 nan 0.000 0.447 90 V N 4.382 124.327 119.914 0.052 0.000 2.588 90 V HA 0.567 4.686 4.120 -0.001 0.000 0.304 90 V C -0.031 176.070 176.094 0.012 0.000 1.042 90 V CA -1.072 61.262 62.300 0.055 0.000 0.877 90 V CB 1.682 33.542 31.823 0.062 0.000 0.996 90 V HN 0.876 nan 8.190 nan 0.000 0.425 91 I N 3.320 123.927 120.570 0.063 0.000 2.440 91 I HA 0.583 4.752 4.170 -0.001 0.000 0.294 91 I C -0.666 175.508 176.117 0.096 0.000 0.995 91 I CA -0.219 61.104 61.300 0.038 0.000 1.306 91 I CB 1.033 39.061 38.000 0.048 0.000 1.407 91 I HN 0.289 nan 8.210 nan 0.000 0.501 92 I N 6.934 127.516 120.570 0.019 0.000 2.321 92 I HA 0.282 4.451 4.170 -0.001 0.000 0.291 92 I C -0.067 176.085 176.117 0.058 0.000 0.998 92 I CA -0.450 60.867 61.300 0.028 0.000 1.227 92 I CB 1.453 39.364 38.000 -0.147 0.000 1.368 92 I HN 0.810 nan 8.210 nan 0.000 0.466 93 M N 6.082 125.821 119.600 0.231 0.000 2.589 93 M HA 0.295 4.774 4.480 -0.001 0.000 0.340 93 M C 1.091 177.564 176.300 0.289 0.000 1.308 93 M CA -0.243 55.174 55.300 0.194 0.000 1.332 93 M CB 0.617 33.299 32.600 0.137 0.000 1.219 93 M HN 0.775 nan 8.290 nan 0.000 0.467 94 G N 4.376 113.267 108.800 0.152 0.000 2.476 94 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.218 94 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.218 94 G C -1.851 173.205 174.900 0.261 0.000 1.164 94 G CA 0.295 45.520 45.100 0.209 0.000 0.768 94 G HN 0.535 nan 8.290 nan 0.000 0.560 95 P HA 0.260 nan 4.420 nan 0.000 0.238 95 P C 0.866 178.089 177.300 -0.128 0.000 1.794 95 P CA 0.007 63.120 63.100 0.022 0.000 1.088 95 P CB 0.604 32.277 31.700 -0.045 0.000 1.923 96 G N 1.677 110.600 108.800 0.203 0.000 2.559 96 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.216 96 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.216 96 G C 1.166 176.223 174.900 0.262 0.000 1.126 96 G CA 0.180 45.479 45.100 0.332 0.000 0.778 96 G HN 0.532 nan 8.290 nan 0.000 0.543 97 H N -0.201 118.949 119.070 0.133 0.000 2.559 97 H HA 0.073 4.628 4.556 -0.001 0.000 0.273 97 H C 1.955 177.235 175.328 -0.080 0.000 1.000 97 H CA 0.514 56.353 56.048 -0.349 0.000 1.195 97 H CB -0.453 28.955 29.762 -0.591 0.000 1.368 97 H HN 0.168 nan 8.280 nan 0.000 0.592 98 G N 1.057 109.640 108.800 -0.362 0.000 3.340 98 G HA2 0.087 4.047 3.960 -0.001 0.000 0.240 98 G HA3 0.087 4.047 3.960 -0.001 0.000 0.240 98 G C 1.547 176.413 174.900 -0.057 0.000 1.327 98 G CA 0.104 45.105 45.100 -0.166 0.000 1.170 98 G HN 0.545 nan 8.290 nan 0.000 0.520 99 G N 1.835 110.687 108.800 0.087 0.000 2.606 99 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.221 99 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.221 99 G C 0.040 175.017 174.900 0.127 0.000 1.152 99 G CA 1.168 46.423 45.100 0.258 0.000 0.765 99 G HN 0.436 nan 8.290 nan 0.000 0.595 100 P HA -0.085 nan 4.420 nan 0.000 0.216 100 P C 2.140 179.354 177.300 -0.144 0.000 1.150 100 P CA 1.993 64.875 63.100 -0.363 0.000 0.843 100 P CB -0.179 31.218 31.700 -0.504 0.000 0.787 101 A N -0.518 122.235 122.820 -0.111 0.000 1.930 101 A HA -0.039 4.281 4.320 -0.001 0.000 0.217 101 A C 2.430 179.970 177.584 -0.074 0.000 1.175 101 A CA 1.967 53.959 52.037 -0.076 0.000 0.627 101 A CB -1.701 17.237 19.000 -0.103 0.000 0.815 101 A HN 0.293 nan 8.150 nan 0.000 0.443 102 G N -0.608 108.085 108.800 -0.179 0.000 2.396 102 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.214 102 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.214 102 G C 1.757 176.810 174.900 0.255 0.000 1.166 102 G CA 1.822 46.784 45.100 -0.230 0.000 0.793 102 G HN 0.635 nan 8.290 nan 0.000 0.533 103 T N -0.779 113.947 114.554 0.286 0.000 2.746 103 T HA -0.100 4.250 4.350 -0.001 0.000 0.267 103 T C 2.495 177.420 174.700 0.374 0.000 1.039 103 T CA 1.877 64.183 62.100 0.344 0.000 1.142 103 T CB -0.521 68.483 68.868 0.226 0.000 0.866 103 T HN 0.118 nan 8.240 nan 0.000 0.444 104 S N 1.202 117.074 115.700 0.287 0.000 2.370 104 S HA -0.170 4.299 4.470 -0.001 0.000 0.226 104 S C 2.171 176.890 174.600 0.198 0.000 1.033 104 S CA 1.255 59.600 58.200 0.242 0.000 1.011 104 S CB -0.545 62.716 63.200 0.102 0.000 0.852 104 S HN 0.473 nan 8.310 nan 0.000 0.457 105 Q N 1.229 121.159 119.800 0.217 0.000 2.061 105 Q HA -0.105 4.234 4.340 -0.001 0.000 0.204 105 Q C 2.390 178.533 176.000 0.238 0.000 0.984 105 Q CA 1.763 57.724 55.803 0.264 0.000 0.846 105 Q CB -0.655 28.216 28.738 0.221 0.000 0.902 105 Q HN 0.512 nan 8.270 nan 0.000 0.421 106 S N -0.703 115.172 115.700 0.293 0.000 2.368 106 S HA -0.155 4.314 4.470 -0.001 0.000 0.224 106 S C 1.894 176.659 174.600 0.275 0.000 1.029 106 S CA 0.966 59.360 58.200 0.324 0.000 0.988 106 S CB -0.446 63.070 63.200 0.526 0.000 0.838 106 S HN 0.549 nan 8.310 nan 0.000 0.462 107 Y N 1.805 122.125 120.300 0.034 0.000 2.181 107 Y HA -0.004 4.546 4.550 -0.001 0.000 0.288 107 Y C 1.862 177.689 175.900 -0.121 0.000 1.146 107 Y CA 1.725 59.713 58.100 -0.187 0.000 1.164 107 Y CB -0.275 37.726 38.460 -0.765 0.000 0.982 107 Y HN 0.259 nan 8.280 nan 0.000 0.515 108 L N -0.030 121.208 121.223 0.025 0.000 2.156 108 L HA -0.127 4.212 4.340 -0.001 0.000 0.208 108 L C 1.914 178.747 176.870 -0.062 0.000 1.095 108 L CA 1.450 56.263 54.840 -0.044 0.000 0.770 108 L CB -0.587 41.496 42.059 0.040 0.000 0.914 108 L HN 0.290 nan 8.230 nan 0.000 0.439 109 D N -0.693 119.704 120.400 -0.006 0.000 2.355 109 D HA 0.016 4.656 4.640 -0.001 0.000 0.218 109 D C 1.533 177.784 176.300 -0.081 0.000 1.004 109 D CA 0.913 54.885 54.000 -0.047 0.000 0.880 109 D CB 0.366 41.156 40.800 -0.016 0.000 0.911 109 D HN 0.254 nan 8.370 nan 0.000 0.528 110 G N -0.278 108.463 108.800 -0.099 0.000 2.213 110 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.226 110 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.226 110 G C 1.284 176.130 174.900 -0.089 0.000 0.992 110 G CA 0.780 45.800 45.100 -0.133 0.000 0.632 110 G HN 0.556 nan 8.290 nan 0.000 0.511 111 T N -2.251 112.278 114.554 -0.041 0.000 2.962 111 T HA -0.022 4.328 4.350 -0.001 0.000 0.270 111 T C 1.859 176.509 174.700 -0.082 0.000 1.088 111 T CA 1.699 63.753 62.100 -0.077 0.000 1.127 111 T CB -0.170 68.667 68.868 -0.052 0.000 0.883 111 T HN 0.487 nan 8.240 nan 0.000 0.493 112 Y N 2.331 122.614 120.300 -0.029 0.000 2.163 112 Y HA -0.085 4.464 4.550 -0.001 0.000 0.288 112 Y C 2.779 178.733 175.900 0.091 0.000 1.136 112 Y CA 1.855 60.022 58.100 0.111 0.000 1.147 112 Y CB -0.552 38.028 38.460 0.200 0.000 0.987 112 Y HN 0.201 nan 8.280 nan 0.000 0.509 113 T N -0.188 114.397 114.554 0.052 0.000 2.857 113 T HA -0.140 4.210 4.350 -0.001 0.000 0.266 113 T C 1.554 176.191 174.700 -0.105 0.000 1.048 113 T CA 1.519 63.619 62.100 -0.001 0.000 1.139 113 T CB -0.193 68.629 68.868 -0.075 0.000 0.874 113 T HN 0.398 nan 8.240 nan 0.000 0.455 114 E N 0.678 120.782 120.200 -0.160 0.000 2.118 114 E HA -0.116 4.233 4.350 -0.001 0.000 0.195 114 E C 2.206 178.611 176.600 -0.325 0.000 0.992 114 E CA 1.526 57.803 56.400 -0.205 0.000 0.804 114 E CB -0.129 29.456 29.700 -0.192 0.000 0.741 114 E HN 0.394 nan 8.360 nan 0.000 0.458 115 T N -0.279 113.965 114.554 -0.517 0.000 3.009 115 T HA 0.045 4.394 4.350 -0.001 0.000 0.258 115 T C 0.089 174.179 174.700 -1.018 0.000 1.063 115 T CA 0.543 62.075 62.100 -0.948 0.000 1.139 115 T CB 0.124 68.101 68.868 -1.485 0.000 0.890 115 T HN -0.041 nan 8.240 nan 0.000 0.471 116 F N 1.318 121.048 119.950 -0.366 0.000 2.451 116 F HA 0.391 4.917 4.527 -0.001 0.000 0.367 116 F C -2.193 173.557 175.800 -0.083 0.000 1.100 116 F CA -2.826 55.051 58.000 -0.206 0.000 1.171 116 F CB 1.579 40.419 39.000 -0.266 0.000 1.405 116 F HN -0.069 nan 8.300 nan 0.000 0.482 117 P HA -0.139 nan 4.420 nan 0.000 0.222 117 P C 1.065 178.412 177.300 0.078 0.000 1.147 117 P CA 1.342 64.461 63.100 0.032 0.000 0.790 117 P CB 0.215 31.914 31.700 -0.003 0.000 0.780 118 K N -0.725 119.746 120.400 0.120 0.000 2.362 118 K HA 0.001 4.321 4.320 -0.001 0.000 0.200 118 K C 0.564 177.252 176.600 0.147 0.000 1.046 118 K CA 0.609 56.966 56.287 0.117 0.000 0.952 118 K CB -0.144 32.427 32.500 0.119 0.000 0.753 118 K HN 0.135 nan 8.250 nan 0.000 0.466 119 I N 3.215 123.917 120.570 0.220 0.000 2.243 119 I HA 0.035 4.204 4.170 -0.001 0.000 0.289 119 I C 0.459 176.734 176.117 0.264 0.000 1.140 119 I CA 0.049 61.527 61.300 0.296 0.000 1.289 119 I CB -1.037 37.265 38.000 0.504 0.000 1.498 119 I HN 0.060 nan 8.210 nan 0.000 0.561 120 T N 1.687 116.339 114.554 0.163 0.000 2.862 120 T HA 0.376 4.725 4.350 -0.001 0.000 0.276 120 T C 0.478 175.213 174.700 0.058 0.000 0.974 120 T CA -0.838 61.306 62.100 0.073 0.000 0.966 120 T CB 1.523 70.415 68.868 0.040 0.000 1.072 120 T HN 0.312 nan 8.240 nan 0.000 0.538 121 K N 2.168 122.537 120.400 -0.052 0.000 2.765 121 K HA 0.321 4.641 4.320 -0.001 0.000 0.246 121 K C -0.894 175.701 176.600 -0.009 0.000 1.254 121 K CA -0.417 55.802 56.287 -0.114 0.000 1.219 121 K CB -0.264 32.109 32.500 -0.212 0.000 1.747 121 K HN 0.738 nan 8.250 nan 0.000 0.372 122 D N -2.735 117.695 120.400 0.049 0.000 2.692 122 D HA -0.059 4.580 4.640 -0.001 0.000 0.303 122 D C 0.527 176.830 176.300 0.005 0.000 1.278 122 D CA -0.839 53.176 54.000 0.026 0.000 0.852 122 D CB 0.418 41.220 40.800 0.003 0.000 1.375 122 D HN -0.007 nan 8.370 nan 0.000 0.453 123 E N -0.358 119.820 120.200 -0.037 0.000 2.118 123 E HA -0.215 4.134 4.350 -0.001 0.000 0.195 123 E C 1.719 178.261 176.600 -0.097 0.000 0.992 123 E CA 1.442 57.783 56.400 -0.099 0.000 0.804 123 E CB -0.184 29.455 29.700 -0.101 0.000 0.741 123 E HN 0.481 nan 8.360 nan 0.000 0.458 124 A N 0.611 123.401 122.820 -0.049 0.000 1.929 124 A HA -0.022 4.298 4.320 -0.001 0.000 0.216 124 A C 2.382 179.949 177.584 -0.028 0.000 1.176 124 A CA 1.462 53.476 52.037 -0.037 0.000 0.628 124 A CB -0.898 18.095 19.000 -0.012 0.000 0.816 124 A HN 0.432 nan 8.150 nan 0.000 0.444 125 G N -0.360 108.444 108.800 0.006 0.000 2.402 125 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.216 125 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.216 125 G C 1.555 176.451 174.900 -0.008 0.000 1.162 125 G CA 0.829 45.964 45.100 0.058 0.000 0.777 125 G HN 0.388 nan 8.290 nan 0.000 0.539 126 L N 0.002 121.159 121.223 -0.110 0.000 2.013 126 L HA -0.195 4.144 4.340 -0.001 0.000 0.212 126 L C 3.093 179.640 176.870 -0.539 0.000 1.073 126 L CA 1.798 56.387 54.840 -0.418 0.000 0.753 126 L CB -0.248 41.504 42.059 -0.511 0.000 0.890 126 L HN 0.302 nan 8.230 nan 0.000 0.432 127 Q N 0.541 120.147 119.800 -0.324 0.000 2.084 127 Q HA -0.243 4.097 4.340 -0.001 0.000 0.202 127 Q C 2.083 178.015 176.000 -0.114 0.000 0.978 127 Q CA 1.737 57.407 55.803 -0.221 0.000 0.844 127 Q CB 0.002 28.670 28.738 -0.117 0.000 0.898 127 Q HN 0.490 nan 8.270 nan 0.000 0.426 128 K N -0.505 119.857 120.400 -0.063 0.000 2.057 128 K HA -0.136 4.184 4.320 -0.001 0.000 0.207 128 K C 2.079 178.694 176.600 0.026 0.000 1.049 128 K CA 1.208 57.489 56.287 -0.011 0.000 0.931 128 K CB -0.345 32.179 32.500 0.040 0.000 0.714 128 K HN 0.123 nan 8.250 nan 0.000 0.440 129 F N 1.306 121.162 119.950 -0.157 0.000 2.095 129 F HA -0.243 4.283 4.527 -0.001 0.000 0.298 129 F C 1.871 177.666 175.800 -0.007 0.000 1.104 129 F CA 1.446 59.339 58.000 -0.179 0.000 1.232 129 F CB -0.253 38.462 39.000 -0.475 0.000 0.987 129 F HN -0.097 nan 8.300 nan 0.000 0.475 130 F N 0.559 120.393 119.950 -0.195 0.000 2.134 130 F HA -0.103 4.423 4.527 -0.002 0.000 0.299 130 F C 2.731 178.389 175.800 -0.236 0.000 1.097 130 F CA 1.583 59.422 58.000 -0.268 0.000 1.264 130 F CB -1.489 37.407 39.000 -0.173 0.000 1.001 130 F HN 0.000 nan 8.300 nan 0.000 0.479 131 R N 0.908 121.381 120.500 -0.044 0.000 2.066 131 R HA -0.176 4.163 4.340 -0.001 0.000 0.232 131 R C 2.252 178.350 176.300 -0.336 0.000 1.131 131 R CA 1.589 57.521 56.100 -0.280 0.000 0.955 131 R CB -0.337 29.746 30.300 -0.361 0.000 0.851 131 R HN 0.468 nan 8.270 nan 0.000 0.432 132 Q N -0.486 119.208 119.800 -0.177 0.000 2.364 132 Q HA -0.152 4.187 4.340 -0.001 0.000 0.209 132 Q C 0.281 176.265 176.000 -0.026 0.000 0.977 132 Q CA 0.610 56.364 55.803 -0.082 0.000 0.885 132 Q CB -0.448 28.271 28.738 -0.030 0.000 0.941 132 Q HN 0.243 nan 8.270 nan 0.000 0.464 133 F N 2.729 122.574 119.950 -0.174 0.000 2.571 133 F HA 0.055 4.582 4.527 -0.001 0.000 0.384 133 F C 0.238 176.024 175.800 -0.024 0.000 1.058 133 F CA 0.458 58.368 58.000 -0.152 0.000 1.200 133 F CB 0.387 39.228 39.000 -0.264 0.000 1.077 133 F HN 0.149 nan 8.300 nan 0.000 0.558 134 S N 3.859 119.072 115.700 -0.811 0.000 3.486 134 S HA -0.305 4.164 4.470 -0.001 0.000 0.371 134 S C -0.531 174.012 174.600 -0.094 0.000 1.001 134 S CA 0.984 58.894 58.200 -0.484 0.000 1.164 134 S CB -2.128 60.755 63.200 -0.528 0.000 0.911 134 S HN 0.790 nan 8.310 nan 0.000 0.472 135 Y N 0.708 120.910 120.300 -0.165 0.000 2.549 135 Y HA 0.528 5.077 4.550 -0.001 0.000 0.339 135 Y C -2.425 173.437 175.900 -0.064 0.000 1.053 135 Y CA -2.613 55.439 58.100 -0.079 0.000 1.105 135 Y CB 1.329 39.765 38.460 -0.040 0.000 1.258 135 Y HN -0.053 nan 8.280 nan 0.000 0.478 136 P HA 0.147 nan 4.420 nan 0.000 0.267 136 P C 0.236 177.566 177.300 0.049 0.000 1.205 136 P CA 1.387 64.433 63.100 -0.090 0.000 0.765 136 P CB 0.545 32.135 31.700 -0.183 0.000 0.828 137 G N 1.778 110.600 108.800 0.036 0.000 2.184 137 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.264 137 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.264 137 G C 0.594 175.539 174.900 0.076 0.000 0.975 137 G CA 0.149 45.285 45.100 0.060 0.000 0.642 137 G HN 0.877 nan 8.290 nan 0.000 0.536 138 G N -0.339 108.509 108.800 0.079 0.000 3.271 138 G HA2 0.799 4.758 3.960 -0.001 0.000 0.174 138 G HA3 0.799 4.758 3.960 -0.001 0.000 0.174 138 G C 0.349 175.248 174.900 -0.001 0.000 1.385 138 G CA -0.219 44.912 45.100 0.052 0.000 0.979 138 G HN 1.313 nan 8.290 nan 0.000 0.610 139 I N -1.502 119.042 120.570 -0.043 0.000 2.982 139 I HA 0.662 4.832 4.170 -0.001 0.000 0.312 139 I C -2.750 173.284 176.117 -0.140 0.000 1.041 139 I CA -2.532 58.735 61.300 -0.055 0.000 1.053 139 I CB 2.207 40.202 38.000 -0.009 0.000 1.248 139 I HN 0.143 nan 8.210 nan 0.000 0.471 140 P HA 0.138 nan 4.420 nan 0.000 0.273 140 P C 0.308 177.442 177.300 -0.276 0.000 1.250 140 P CA -0.368 62.673 63.100 -0.098 0.000 0.793 140 P CB 0.644 32.368 31.700 0.040 0.000 1.011 141 S N -1.801 113.772 115.700 -0.211 0.000 2.496 141 S HA -0.028 4.441 4.470 -0.001 0.000 0.224 141 S C 0.528 175.196 174.600 0.114 0.000 0.996 141 S CA 0.637 58.682 58.200 -0.258 0.000 0.927 141 S CB -0.911 62.243 63.200 -0.078 0.000 0.774 141 S HN 0.462 nan 8.310 nan 0.000 0.524 142 H N -0.378 118.811 119.070 0.199 0.000 2.523 142 H HA 0.458 5.013 4.556 -0.001 0.000 0.345 142 H C -0.704 174.859 175.328 0.392 0.000 1.261 142 H CA -1.289 54.934 56.048 0.292 0.000 1.343 142 H CB 0.108 30.018 29.762 0.245 0.000 1.650 142 H HN 0.126 nan 8.280 nan 0.000 0.591 143 F N 1.911 122.069 119.950 0.347 0.000 2.677 143 F HA 0.294 4.820 4.527 -0.001 0.000 0.358 143 F C 0.432 176.424 175.800 0.320 0.000 1.266 143 F CA -0.962 57.225 58.000 0.313 0.000 1.262 143 F CB -1.776 37.404 39.000 0.300 0.000 1.684 143 F HN 0.508 nan 8.300 nan 0.000 0.671 144 A N 5.488 128.483 122.820 0.291 0.000 2.272 144 A HA 0.427 4.746 4.320 -0.001 0.000 0.275 144 A C -1.300 176.185 177.584 -0.166 0.000 1.096 144 A CA -1.055 51.036 52.037 0.089 0.000 0.822 144 A CB -0.092 18.959 19.000 0.085 0.000 1.088 144 A HN 0.380 nan 8.150 nan 0.000 0.495 145 P HA -0.122 nan 4.420 nan 0.000 0.225 145 P C 0.394 177.467 177.300 -0.378 0.000 1.148 145 P CA 1.158 63.646 63.100 -1.019 0.000 0.779 145 P CB 0.126 30.661 31.700 -1.941 0.000 0.780 146 E N -0.372 119.769 120.200 -0.099 0.000 2.515 146 E HA -0.014 4.335 4.350 -0.001 0.000 0.201 146 E C 0.138 177.098 176.600 0.599 0.000 1.071 146 E CA 0.637 57.203 56.400 0.276 0.000 0.880 146 E CB -0.722 29.107 29.700 0.215 0.000 0.828 146 E HN 0.302 nan 8.360 nan 0.000 0.540 147 T N 1.876 116.682 114.554 0.420 0.000 2.771 147 T HA 0.362 4.711 4.350 -0.001 0.000 0.281 147 T C -2.543 172.432 174.700 0.459 0.000 0.982 147 T CA -2.079 60.321 62.100 0.500 0.000 0.978 147 T CB 1.569 70.692 68.868 0.425 0.000 0.930 147 T HN -0.193 nan 8.240 nan 0.000 0.447 148 P HA 0.302 nan 4.420 nan 0.000 0.268 148 P C 1.128 178.604 177.300 0.293 0.000 1.205 148 P CA 0.739 63.975 63.100 0.227 0.000 0.771 148 P CB 0.403 32.092 31.700 -0.018 0.000 0.858 149 G N 1.254 110.204 108.800 0.250 0.000 2.195 149 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.246 149 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.246 149 G C 0.362 175.380 174.900 0.197 0.000 0.984 149 G CA 0.183 45.452 45.100 0.282 0.000 0.633 149 G HN 0.769 nan 8.290 nan 0.000 0.525 150 S N 0.323 115.959 115.700 -0.107 0.000 2.457 150 S HA 0.651 5.121 4.470 -0.001 0.000 0.289 150 S C 1.172 175.880 174.600 0.179 0.000 1.163 150 S CA -0.172 57.805 58.200 -0.371 0.000 1.078 150 S CB 0.584 63.136 63.200 -1.079 0.000 0.987 150 S HN 1.046 nan 8.310 nan 0.000 0.482 151 I N 2.120 122.804 120.570 0.190 0.000 4.009 151 I HA 0.514 4.683 4.170 -0.001 0.000 0.331 151 I C -0.088 175.912 176.117 -0.195 0.000 1.462 151 I CA -0.500 60.843 61.300 0.072 0.000 1.117 151 I CB -0.033 37.958 38.000 -0.014 0.000 1.091 151 I HN 0.680 nan 8.210 nan 0.000 0.410 152 H N 0.650 119.723 119.070 0.005 0.000 3.240 152 H HA 0.237 4.793 4.556 -0.001 0.000 0.329 152 H C 0.171 175.711 175.328 0.354 0.000 1.024 152 H CA -0.427 55.679 56.048 0.097 0.000 1.487 152 H CB 1.518 31.406 29.762 0.211 0.000 1.909 152 H HN 0.200 nan 8.280 nan 0.000 0.465 153 E N 3.580 123.849 120.200 0.115 0.000 2.158 153 E HA 0.068 4.417 4.350 -0.001 0.000 0.191 153 E C 1.206 177.924 176.600 0.197 0.000 0.982 153 E CA 0.750 57.320 56.400 0.283 0.000 0.823 153 E CB -0.065 29.838 29.700 0.339 0.000 0.766 153 E HN 1.023 nan 8.360 nan 0.000 0.468 154 G N 0.312 109.022 108.800 -0.151 0.000 2.305 154 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.287 154 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.287 154 G C 0.617 175.640 174.900 0.204 0.000 1.036 154 G CA 0.487 45.642 45.100 0.090 0.000 0.887 154 G HN 0.503 nan 8.290 nan 0.000 0.505 155 G N -0.605 108.220 108.800 0.041 0.000 2.404 155 G HA2 0.174 4.133 3.960 -0.001 0.000 0.213 155 G HA3 0.174 4.133 3.960 -0.001 0.000 0.213 155 G C 0.622 175.519 174.900 -0.005 0.000 1.189 155 G CA 0.741 45.746 45.100 -0.158 0.000 0.796 155 G HN 0.682 nan 8.290 nan 0.000 0.532 156 E N 0.479 120.701 120.200 0.037 0.000 2.167 156 E HA 0.408 4.758 4.350 -0.001 0.000 0.284 156 E C -0.327 176.246 176.600 -0.046 0.000 1.016 156 E CA -0.471 55.963 56.400 0.056 0.000 0.817 156 E CB 0.504 30.310 29.700 0.177 0.000 1.080 156 E HN 0.079 nan 8.360 nan 0.000 0.397 157 L N 3.653 124.816 121.223 -0.099 0.000 2.395 157 L HA 0.418 4.757 4.340 -0.001 0.000 0.269 157 L C 1.270 177.840 176.870 -0.499 0.000 1.133 157 L CA 0.643 55.389 54.840 -0.157 0.000 0.812 157 L CB 1.098 43.130 42.059 -0.044 0.000 1.125 157 L HN 0.995 nan 8.230 nan 0.000 0.452 158 G N 0.851 109.335 108.800 -0.526 0.000 2.551 158 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.186 158 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.186 158 G C 0.303 174.844 174.900 -0.597 0.000 1.002 158 G CA -0.365 44.347 45.100 -0.646 0.000 0.723 158 G HN 0.611 nan 8.290 nan 0.000 0.481 159 Y N 1.205 121.471 120.300 -0.057 0.000 2.524 159 Y HA 0.584 5.133 4.550 -0.001 0.000 0.266 159 Y C 2.511 178.273 175.900 -0.230 0.000 1.180 159 Y CA 0.328 58.301 58.100 -0.212 0.000 1.244 159 Y CB 0.302 38.543 38.460 -0.364 0.000 1.125 159 Y HN 0.318 nan 8.280 nan 0.000 0.524 160 A N 0.953 123.705 122.820 -0.113 0.000 1.883 160 A HA -0.165 4.155 4.320 -0.001 0.000 0.217 160 A C 2.038 179.504 177.584 -0.198 0.000 1.186 160 A CA 1.600 53.453 52.037 -0.307 0.000 0.624 160 A CB -0.700 18.158 19.000 -0.237 0.000 0.822 160 A HN 0.545 nan 8.150 nan 0.000 0.444 161 L N 0.135 121.263 121.223 -0.160 0.000 2.095 161 L HA -0.132 4.208 4.340 -0.001 0.000 0.204 161 L C 3.052 180.039 176.870 0.196 0.000 1.080 161 L CA 1.397 56.224 54.840 -0.023 0.000 0.759 161 L CB -0.512 41.459 42.059 -0.147 0.000 0.914 161 L HN 0.611 nan 8.230 nan 0.000 0.439 162 S N -1.280 114.471 115.700 0.084 0.000 2.383 162 S HA -0.254 4.216 4.470 -0.001 0.000 0.229 162 S C 1.762 176.552 174.600 0.316 0.000 1.030 162 S CA 1.280 59.584 58.200 0.173 0.000 1.002 162 S CB -0.807 62.275 63.200 -0.197 0.000 0.829 162 S HN 0.522 nan 8.310 nan 0.000 0.467 163 H N 1.332 120.476 119.070 0.123 0.000 2.389 163 H HA 0.180 4.735 4.556 -0.001 0.000 0.299 163 H C 2.646 177.997 175.328 0.038 0.000 1.081 163 H CA 0.722 56.813 56.048 0.071 0.000 1.345 163 H CB -0.229 29.570 29.762 0.061 0.000 1.393 163 H HN 0.590 nan 8.280 nan 0.000 0.520 164 A N 0.676 123.563 122.820 0.111 0.000 1.877 164 A HA -0.207 4.112 4.320 -0.001 0.000 0.216 164 A C 1.782 179.327 177.584 -0.065 0.000 1.186 164 A CA 1.438 53.447 52.037 -0.046 0.000 0.620 164 A CB -0.841 18.043 19.000 -0.193 0.000 0.822 164 A HN 0.414 nan 8.150 nan 0.000 0.443 165 Y N -0.063 120.257 120.300 0.032 0.000 2.395 165 Y HA 0.060 4.609 4.550 -0.001 0.000 0.293 165 Y C 2.700 178.489 175.900 -0.185 0.000 1.123 165 Y CA 0.637 58.681 58.100 -0.092 0.000 1.227 165 Y CB -0.568 37.813 38.460 -0.132 0.000 1.012 165 Y HN 0.342 nan 8.280 nan 0.000 0.552 166 G N -0.281 108.581 108.800 0.103 0.000 2.422 166 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.218 166 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.218 166 G C 1.904 176.897 174.900 0.155 0.000 1.146 166 G CA 0.933 46.085 45.100 0.086 0.000 0.769 166 G HN 0.445 nan 8.290 nan 0.000 0.547 167 A N 1.239 124.125 122.820 0.110 0.000 1.933 167 A HA 0.020 4.339 4.320 -0.001 0.000 0.218 167 A C 2.380 180.030 177.584 0.110 0.000 1.175 167 A CA 1.494 53.587 52.037 0.093 0.000 0.628 167 A CB -0.403 18.623 19.000 0.045 0.000 0.814 167 A HN 0.773 nan 8.150 nan 0.000 0.444 168 I N -3.695 116.925 120.570 0.082 0.000 3.251 168 I HA 0.152 4.321 4.170 -0.001 0.000 0.277 168 I C 0.791 176.987 176.117 0.131 0.000 1.268 168 I CA -0.026 61.337 61.300 0.106 0.000 1.449 168 I CB -0.327 37.710 38.000 0.062 0.000 1.083 168 I HN 0.094 nan 8.210 nan 0.000 0.464 169 M N 2.825 122.508 119.600 0.139 0.000 2.260 169 M HA -0.022 4.457 4.480 -0.001 0.000 0.348 169 M C 0.208 176.669 176.300 0.267 0.000 1.342 169 M CA 0.899 56.286 55.300 0.145 0.000 1.040 169 M CB -0.019 32.618 32.600 0.062 0.000 1.810 169 M HN 0.245 nan 8.290 nan 0.000 0.453 170 D N 0.889 121.407 120.400 0.197 0.000 2.882 170 D HA -0.204 4.435 4.640 -0.001 0.000 0.229 170 D C -0.380 176.034 176.300 0.189 0.000 1.167 170 D CA 0.967 55.092 54.000 0.208 0.000 0.759 170 D CB -1.278 39.697 40.800 0.291 0.000 1.088 170 D HN 0.603 nan 8.370 nan 0.000 0.425 171 N N -0.128 118.680 118.700 0.180 0.000 2.723 171 N HA 0.144 4.883 4.740 -0.001 0.000 0.290 171 N C -1.831 173.815 175.510 0.225 0.000 1.882 171 N CA -1.505 51.651 53.050 0.176 0.000 0.851 171 N CB 0.951 39.534 38.487 0.161 0.000 1.234 171 N HN -0.058 nan 8.380 nan 0.000 0.491 172 P HA -0.072 nan 4.420 nan 0.000 0.225 172 P C 0.884 178.502 177.300 0.529 0.000 1.148 172 P CA 0.915 64.189 63.100 0.290 0.000 0.779 172 P CB 0.264 32.091 31.700 0.211 0.000 0.780 173 S N -1.969 113.974 115.700 0.404 0.000 2.556 173 S HA 0.118 4.587 4.470 -0.001 0.000 0.216 173 S C 0.601 175.317 174.600 0.193 0.000 0.970 173 S CA -0.415 57.978 58.200 0.322 0.000 0.912 173 S CB -0.745 62.525 63.200 0.116 0.000 0.790 173 S HN -0.023 nan 8.310 nan 0.000 0.504 174 L N 2.277 123.711 121.223 0.352 0.000 2.292 174 L HA 0.671 5.011 4.340 -0.001 0.000 0.284 174 L C -0.893 176.292 176.870 0.525 0.000 1.065 174 L CA -0.882 54.131 54.840 0.288 0.000 0.806 174 L CB 1.007 43.195 42.059 0.215 0.000 1.175 174 L HN 0.312 nan 8.230 nan 0.000 0.431 175 F N 5.721 125.820 119.950 0.248 0.000 2.482 175 F HA 0.677 5.203 4.527 -0.001 0.000 0.331 175 F C -1.094 174.838 175.800 0.220 0.000 1.115 175 F CA -0.977 57.250 58.000 0.378 0.000 0.955 175 F CB 1.637 40.885 39.000 0.412 0.000 1.136 175 F HN 0.131 nan 8.300 nan 0.000 0.452 176 V N 7.622 127.351 119.914 -0.309 0.000 2.357 176 V HA 0.356 4.475 4.120 -0.001 0.000 0.281 176 V C -2.436 173.271 176.094 -0.645 0.000 1.015 176 V CA -1.751 60.299 62.300 -0.415 0.000 0.827 176 V CB 1.311 33.019 31.823 -0.192 0.000 1.018 176 V HN 0.603 nan 8.190 nan 0.000 0.432 177 P HA 0.383 nan 4.420 nan 0.000 0.282 177 P C -0.613 176.562 177.300 -0.210 0.000 1.274 177 P CA 0.045 62.911 63.100 -0.390 0.000 0.770 177 P CB 1.054 32.643 31.700 -0.185 0.000 0.867 178 A N 5.123 127.841 122.820 -0.170 0.000 2.273 178 A HA 0.542 4.861 4.320 -0.001 0.000 0.315 178 A C -0.176 177.360 177.584 -0.079 0.000 1.256 178 A CA -0.734 51.221 52.037 -0.136 0.000 0.851 178 A CB -0.015 18.879 19.000 -0.177 0.000 1.172 178 A HN 0.468 nan 8.150 nan 0.000 0.508 179 I N 3.122 123.664 120.570 -0.046 0.000 2.325 179 I HA 0.319 4.488 4.170 -0.001 0.000 0.291 179 I C -0.532 175.615 176.117 0.050 0.000 1.019 179 I CA -0.479 60.826 61.300 0.010 0.000 1.302 179 I CB 1.556 39.548 38.000 -0.012 0.000 1.401 179 I HN 0.285 nan 8.210 nan 0.000 0.485 180 V N 5.536 125.516 119.914 0.110 0.000 2.417 180 V HA 0.482 4.601 4.120 -0.001 0.000 0.291 180 V C 0.738 176.967 176.094 0.225 0.000 1.024 180 V CA -0.715 61.656 62.300 0.118 0.000 0.861 180 V CB 1.547 33.417 31.823 0.079 0.000 0.985 180 V HN 0.885 nan 8.190 nan 0.000 0.436 181 G N 2.298 111.221 108.800 0.205 0.000 2.491 181 G HA2 0.231 4.190 3.960 -0.001 0.000 0.242 181 G HA3 0.231 4.190 3.960 -0.001 0.000 0.242 181 G C 0.739 175.758 174.900 0.199 0.000 1.266 181 G CA 0.123 45.352 45.100 0.217 0.000 0.844 181 G HN 0.896 nan 8.290 nan 0.000 0.571 182 D N 1.160 121.660 120.400 0.166 0.000 2.219 182 D HA -0.082 4.558 4.640 -0.001 0.000 0.205 182 D C 2.067 178.439 176.300 0.120 0.000 0.970 182 D CA 1.197 55.294 54.000 0.163 0.000 0.851 182 D CB -0.649 40.226 40.800 0.124 0.000 0.943 182 D HN 0.449 nan 8.370 nan 0.000 0.488 183 G N 0.666 109.523 108.800 0.096 0.000 2.404 183 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.214 183 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.214 183 G C 1.461 176.402 174.900 0.069 0.000 1.189 183 G CA 0.641 45.780 45.100 0.066 0.000 0.789 183 G HN 0.429 nan 8.290 nan 0.000 0.533 184 E N 0.610 120.864 120.200 0.090 0.000 2.169 184 E HA -0.203 4.147 4.350 -0.001 0.000 0.202 184 E C 2.562 179.198 176.600 0.061 0.000 1.016 184 E CA 1.167 57.602 56.400 0.058 0.000 0.817 184 E CB -0.288 29.457 29.700 0.075 0.000 0.736 184 E HN 0.354 nan 8.360 nan 0.000 0.462 185 A N 0.557 123.464 122.820 0.145 0.000 2.178 185 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 185 A C 1.585 179.285 177.584 0.193 0.000 1.157 185 A CA 1.277 53.465 52.037 0.252 0.000 0.689 185 A CB -0.324 18.936 19.000 0.433 0.000 0.787 185 A HN 0.368 nan 8.150 nan 0.000 0.465 186 E N 0.156 120.415 120.200 0.098 0.000 2.478 186 E HA 0.002 4.351 4.350 -0.001 0.000 0.194 186 E C 0.614 177.227 176.600 0.021 0.000 1.045 186 E CA 0.446 56.877 56.400 0.052 0.000 0.868 186 E CB -0.044 29.666 29.700 0.017 0.000 0.885 186 E HN 0.726 nan 8.360 nan 0.000 0.505 187 T N -2.380 112.174 114.554 -0.000 0.000 2.899 187 T HA 0.241 4.590 4.350 -0.001 0.000 0.295 187 T C 1.377 176.044 174.700 -0.055 0.000 1.033 187 T CA -0.273 61.796 62.100 -0.052 0.000 1.084 187 T CB 1.746 70.543 68.868 -0.119 0.000 0.979 187 T HN 0.017 nan 8.240 nan 0.000 0.532 188 G N 1.643 110.389 108.800 -0.089 0.000 2.433 188 G HA2 -0.043 3.916 3.960 -0.001 0.000 0.216 188 G HA3 -0.043 3.916 3.960 -0.001 0.000 0.216 188 G C -0.883 173.920 174.900 -0.161 0.000 1.186 188 G CA 0.376 45.419 45.100 -0.096 0.000 0.779 188 G HN 0.643 nan 8.290 nan 0.000 0.543 189 P HA -0.067 nan 4.420 nan 0.000 0.216 189 P C 2.040 179.230 177.300 -0.184 0.000 1.150 189 P CA 0.401 63.315 63.100 -0.311 0.000 0.837 189 P CB -0.019 31.503 31.700 -0.298 0.000 0.786 190 L N -0.510 120.604 121.223 -0.181 0.000 2.056 190 L HA -0.077 4.262 4.340 -0.001 0.000 0.207 190 L C 2.039 178.803 176.870 -0.176 0.000 1.078 190 L CA 2.184 56.896 54.840 -0.214 0.000 0.749 190 L CB -1.527 40.432 42.059 -0.165 0.000 0.901 190 L HN -0.059 nan 8.230 nan 0.000 0.433 191 A N -1.223 121.623 122.820 0.043 0.000 1.902 191 A HA -0.247 4.072 4.320 -0.001 0.000 0.217 191 A C 2.337 180.080 177.584 0.265 0.000 1.181 191 A CA 2.332 54.547 52.037 0.297 0.000 0.623 191 A CB -1.051 18.102 19.000 0.255 0.000 0.818 191 A HN 0.458 nan 8.150 nan 0.000 0.443 192 T N -0.927 113.679 114.554 0.087 0.000 2.951 192 T HA 0.061 4.410 4.350 -0.001 0.000 0.268 192 T C 1.728 176.435 174.700 0.012 0.000 1.073 192 T CA 1.487 63.626 62.100 0.065 0.000 1.134 192 T CB -0.482 68.394 68.868 0.013 0.000 0.884 192 T HN 0.500 nan 8.240 nan 0.000 0.479 193 G N -0.516 108.229 108.800 -0.091 0.000 2.498 193 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.219 193 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.219 193 G C 1.170 176.038 174.900 -0.054 0.000 1.119 193 G CA 0.239 45.265 45.100 -0.123 0.000 0.766 193 G HN 0.638 nan 8.290 nan 0.000 0.552 194 W N 0.491 121.862 121.300 0.119 0.000 2.392 194 W HA -0.002 4.657 4.660 -0.001 0.000 0.279 194 W C 2.603 179.199 176.519 0.129 0.000 1.225 194 W CA 0.540 58.016 57.345 0.218 0.000 1.233 194 W CB 0.142 29.726 29.460 0.207 0.000 1.122 194 W HN 0.160 nan 8.180 nan 0.000 0.561 195 Q N -0.009 119.908 119.800 0.196 0.000 2.435 195 Q HA -0.042 4.298 4.340 -0.001 0.000 0.207 195 Q C 1.843 177.752 176.000 -0.150 0.000 0.956 195 Q CA 0.961 56.774 55.803 0.017 0.000 0.917 195 Q CB -0.488 28.258 28.738 0.013 0.000 0.997 195 Q HN 0.264 nan 8.270 nan 0.000 0.497 196 S N 2.697 118.241 115.700 -0.259 0.000 2.465 196 S HA -0.134 4.335 4.470 -0.001 0.000 0.241 196 S C 1.464 175.642 174.600 -0.704 0.000 1.000 196 S CA 1.185 59.116 58.200 -0.448 0.000 0.964 196 S CB -0.319 62.383 63.200 -0.831 0.000 0.763 196 S HN 0.571 nan 8.310 nan 0.000 0.512 197 N N 1.317 119.638 118.700 -0.632 0.000 2.573 197 N HA -0.052 4.687 4.740 -0.001 0.000 0.187 197 N C 0.827 176.164 175.510 -0.288 0.000 1.107 197 N CA 0.694 53.488 53.050 -0.427 0.000 0.918 197 N CB -0.252 38.013 38.487 -0.370 0.000 0.966 197 N HN 0.142 nan 8.380 nan 0.000 0.448 198 K N -0.131 120.069 120.400 -0.333 0.000 2.444 198 K HA 0.329 4.649 4.320 -0.001 0.000 0.193 198 K C 0.747 177.095 176.600 -0.420 0.000 1.024 198 K CA 0.190 56.232 56.287 -0.409 0.000 1.077 198 K CB 0.222 32.422 32.500 -0.501 0.000 0.833 198 K HN 0.233 nan 8.250 nan 0.000 0.517 199 L N -0.140 120.909 121.223 -0.289 0.000 3.069 199 L HA 0.251 4.590 4.340 -0.001 0.000 0.271 199 L C -0.381 176.394 176.870 -0.158 0.000 1.201 199 L CA -0.487 54.239 54.840 -0.190 0.000 1.015 199 L CB 0.764 42.777 42.059 -0.078 0.000 1.371 199 L HN -0.169 nan 8.230 nan 0.000 0.574 200 V N -4.289 115.537 119.914 -0.147 0.000 3.074 200 V HA 0.577 4.697 4.120 -0.001 0.000 0.314 200 V C -0.901 175.175 176.094 -0.030 0.000 1.117 200 V CA -0.758 61.495 62.300 -0.079 0.000 1.014 200 V CB 2.339 34.142 31.823 -0.033 0.000 1.057 200 V HN 0.125 nan 8.190 nan 0.000 0.438 201 N N 1.783 120.483 118.700 -0.001 0.000 2.284 201 N HA 0.514 5.254 4.740 -0.001 0.000 0.300 201 N C -2.340 173.183 175.510 0.023 0.000 1.047 201 N CA -1.856 51.199 53.050 0.008 0.000 0.821 201 N CB 3.245 41.730 38.487 -0.004 0.000 1.337 201 N HN 0.528 nan 8.380 nan 0.000 0.482 202 P HA 0.018 nan 4.420 nan 0.000 0.237 202 P C 0.820 178.068 177.300 -0.088 0.000 1.178 202 P CA 0.658 63.746 63.100 -0.020 0.000 0.766 202 P CB 0.501 32.174 31.700 -0.045 0.000 0.876 203 R N 0.496 120.966 120.500 -0.050 0.000 2.103 203 R HA 0.010 4.349 4.340 -0.001 0.000 0.212 203 R C 1.954 178.258 176.300 0.007 0.000 1.107 203 R CA 1.603 57.678 56.100 -0.041 0.000 1.025 203 R CB -0.405 29.879 30.300 -0.028 0.000 0.929 203 R HN 0.112 nan 8.270 nan 0.000 0.456 204 T N -1.439 113.129 114.554 0.024 0.000 3.067 204 T HA 0.093 4.442 4.350 -0.001 0.000 0.257 204 T C 0.310 175.054 174.700 0.073 0.000 1.105 204 T CA 0.154 62.287 62.100 0.055 0.000 1.104 204 T CB 0.100 69.003 68.868 0.059 0.000 0.925 204 T HN 0.064 nan 8.240 nan 0.000 0.498 205 D N 0.400 120.834 120.400 0.057 0.000 2.506 205 D HA 0.585 5.224 4.640 -0.001 0.000 0.254 205 D C 0.759 177.113 176.300 0.090 0.000 1.089 205 D CA -0.493 53.555 54.000 0.080 0.000 1.050 205 D CB 1.392 42.223 40.800 0.051 0.000 1.221 205 D HN 0.276 nan 8.370 nan 0.000 0.589 206 G N -0.531 108.355 108.800 0.145 0.000 2.783 206 G HA2 0.503 4.462 3.960 -0.001 0.000 0.182 206 G HA3 0.503 4.462 3.960 -0.001 0.000 0.182 206 G C -0.412 174.551 174.900 0.105 0.000 1.516 206 G CA -0.177 45.065 45.100 0.236 0.000 1.079 206 G HN 0.359 nan 8.290 nan 0.000 0.573 207 I N 0.163 120.882 120.570 0.249 0.000 2.607 207 I HA 0.307 4.476 4.170 -0.001 0.000 0.290 207 I C -0.716 175.516 176.117 0.191 0.000 1.129 207 I CA -0.509 60.892 61.300 0.168 0.000 1.042 207 I CB 1.602 39.726 38.000 0.206 0.000 1.242 207 I HN 0.035 nan 8.210 nan 0.000 0.421 208 V N 6.215 126.058 119.914 -0.119 0.000 2.439 208 V HA 0.356 4.476 4.120 -0.001 0.000 0.282 208 V C -0.190 175.884 176.094 -0.034 0.000 1.039 208 V CA -0.694 61.452 62.300 -0.256 0.000 0.913 208 V CB 2.151 33.477 31.823 -0.828 0.000 0.983 208 V HN 0.489 nan 8.190 nan 0.000 0.460 209 L N 8.998 130.216 121.223 -0.009 0.000 2.283 209 L HA 0.618 4.958 4.340 -0.001 0.000 0.281 209 L C -2.564 174.277 176.870 -0.048 0.000 1.033 209 L CA -1.702 53.175 54.840 0.062 0.000 0.848 209 L CB 1.339 43.496 42.059 0.164 0.000 1.226 209 L HN 0.379 nan 8.230 nan 0.000 0.429 210 P HA 0.292 nan 4.420 nan 0.000 0.271 210 P C -0.951 176.337 177.300 -0.019 0.000 1.216 210 P CA 0.284 63.357 63.100 -0.045 0.000 0.776 210 P CB 0.712 32.414 31.700 0.002 0.000 0.881 211 I N 3.373 123.959 120.570 0.027 0.000 2.411 211 I HA 0.232 4.401 4.170 -0.001 0.000 0.284 211 I C -0.326 175.889 176.117 0.163 0.000 1.012 211 I CA -0.970 60.381 61.300 0.084 0.000 1.119 211 I CB 1.497 39.542 38.000 0.076 0.000 1.261 211 I HN 0.138 nan 8.210 nan 0.000 0.448 212 L N 7.011 128.350 121.223 0.194 0.000 2.278 212 L HA 0.287 4.627 4.340 -0.001 0.000 0.287 212 L C 0.137 177.241 176.870 0.390 0.000 1.072 212 L CA 0.010 55.026 54.840 0.294 0.000 0.819 212 L CB 0.059 42.271 42.059 0.255 0.000 1.176 212 L HN 0.445 nan 8.230 nan 0.000 0.435 213 H N 5.626 124.860 119.070 0.273 0.000 3.092 213 H HA 0.204 4.759 4.556 -0.001 0.000 0.263 213 H C -0.703 174.779 175.328 0.257 0.000 1.611 213 H CA -0.551 55.692 56.048 0.325 0.000 1.457 213 H CB 0.040 29.958 29.762 0.260 0.000 1.731 213 H HN 0.594 nan 8.280 nan 0.000 0.532 214 L N 5.220 126.648 121.223 0.342 0.000 2.399 214 L HA 0.139 4.478 4.340 -0.001 0.000 0.257 214 L C 0.451 177.369 176.870 0.080 0.000 1.236 214 L CA -0.044 54.896 54.840 0.167 0.000 1.144 214 L CB -0.405 41.756 42.059 0.169 0.000 1.379 214 L HN 0.607 nan 8.230 nan 0.000 0.414 215 N N 0.560 119.252 118.700 -0.013 0.000 2.236 215 N HA 0.241 4.980 4.740 -0.001 0.000 0.196 215 N C 1.106 176.645 175.510 0.049 0.000 1.114 215 N CA 0.453 53.504 53.050 0.002 0.000 0.859 215 N CB 0.571 38.996 38.487 -0.104 0.000 0.982 215 N HN 0.447 nan 8.380 nan 0.000 0.493 216 G N -1.573 107.173 108.800 -0.090 0.000 2.232 216 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.226 216 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.226 216 G C -0.583 173.830 174.900 -0.812 0.000 0.996 216 G CA 0.089 44.932 45.100 -0.428 0.000 0.626 216 G HN 0.341 nan 8.290 nan 0.000 0.509 217 Y N 0.592 120.947 120.300 0.091 0.000 2.571 217 Y HA 0.584 5.133 4.550 -0.001 0.000 0.341 217 Y C 0.626 176.583 175.900 0.095 0.000 1.076 217 Y CA -0.604 57.571 58.100 0.126 0.000 1.029 217 Y CB 1.535 40.124 38.460 0.214 0.000 1.308 217 Y HN 0.287 nan 8.280 nan 0.000 0.461 218 K N 0.416 120.938 120.400 0.203 0.000 3.169 218 K HA 0.560 4.879 4.320 -0.001 0.000 0.251 218 K C 0.627 177.183 176.600 -0.074 0.000 0.992 218 K CA -0.436 55.884 56.287 0.056 0.000 1.643 218 K CB 0.482 32.977 32.500 -0.009 0.000 2.979 218 K HN 0.499 nan 8.250 nan 0.000 0.905 219 I N 0.331 120.732 120.570 -0.282 0.000 2.193 219 I HA -0.140 4.030 4.170 -0.001 0.000 0.240 219 I C 1.626 177.717 176.117 -0.043 0.000 1.084 219 I CA 1.739 62.798 61.300 -0.402 0.000 1.365 219 I CB -0.023 37.797 38.000 -0.299 0.000 1.064 219 I HN 0.694 nan 8.210 nan 0.000 0.410 220 A N -0.537 122.195 122.820 -0.148 0.000 2.630 220 A HA 0.364 4.684 4.320 -0.001 0.000 0.287 220 A C -0.037 177.187 177.584 -0.601 0.000 1.040 220 A CA -0.311 51.448 52.037 -0.463 0.000 0.971 220 A CB 0.066 18.821 19.000 -0.408 0.000 1.241 220 A HN 0.275 nan 8.150 nan 0.000 0.558 221 N N 0.570 119.137 118.700 -0.223 0.000 2.484 221 N HA 0.384 5.124 4.740 -0.001 0.000 0.269 221 N C -3.378 172.234 175.510 0.170 0.000 1.237 221 N CA -0.915 52.082 53.050 -0.089 0.000 0.838 221 N CB 2.828 41.262 38.487 -0.089 0.000 1.593 221 N HN -0.027 nan 8.380 nan 0.000 0.485 222 P HA 0.075 nan 4.420 nan 0.000 0.274 222 P C -0.330 176.923 177.300 -0.079 0.000 1.260 222 P CA 0.081 63.158 63.100 -0.038 0.000 0.793 222 P CB 0.170 31.833 31.700 -0.062 0.000 1.048 223 T N -2.510 111.953 114.554 -0.153 0.000 2.829 223 T HA 0.391 4.740 4.350 -0.001 0.000 0.282 223 T C 1.608 176.256 174.700 -0.086 0.000 0.990 223 T CA -0.788 61.262 62.100 -0.084 0.000 1.028 223 T CB 0.274 69.108 68.868 -0.057 0.000 0.951 223 T HN 0.222 nan 8.240 nan 0.000 0.460 224 I N 1.460 121.991 120.570 -0.066 0.000 2.113 224 I HA -0.256 3.913 4.170 -0.001 0.000 0.242 224 I C 2.269 178.332 176.117 -0.091 0.000 1.057 224 I CA 1.743 62.994 61.300 -0.081 0.000 1.314 224 I CB -0.469 37.478 38.000 -0.088 0.000 1.022 224 I HN 0.649 nan 8.210 nan 0.000 0.408 225 L N 0.253 121.437 121.223 -0.065 0.000 2.291 225 L HA -0.113 4.226 4.340 -0.001 0.000 0.214 225 L C 2.605 179.458 176.870 -0.029 0.000 1.120 225 L CA 1.220 56.027 54.840 -0.055 0.000 0.799 225 L CB -0.561 41.516 42.059 0.030 0.000 0.925 225 L HN 0.376 nan 8.230 nan 0.000 0.446 226 S N -0.782 114.889 115.700 -0.049 0.000 2.496 226 S HA 0.008 4.477 4.470 -0.001 0.000 0.224 226 S C 1.921 176.463 174.600 -0.096 0.000 0.996 226 S CA 0.064 58.221 58.200 -0.072 0.000 0.927 226 S CB 0.069 63.193 63.200 -0.127 0.000 0.774 226 S HN 0.320 nan 8.310 nan 0.000 0.524 227 R N 1.034 121.476 120.500 -0.095 0.000 2.365 227 R HA 0.420 4.759 4.340 -0.001 0.000 0.223 227 R C 1.046 177.301 176.300 -0.076 0.000 0.899 227 R CA 0.010 56.058 56.100 -0.087 0.000 1.059 227 R CB -0.276 29.974 30.300 -0.082 0.000 1.086 227 R HN 0.666 nan 8.270 nan 0.000 0.522 228 I N -0.063 120.458 120.570 -0.081 0.000 3.269 228 I HA 0.150 4.320 4.170 -0.001 0.000 0.287 228 I C 0.824 176.904 176.117 -0.062 0.000 1.152 228 I CA -0.648 60.603 61.300 -0.081 0.000 1.263 228 I CB 0.421 38.354 38.000 -0.112 0.000 1.439 228 I HN -0.122 nan 8.210 nan 0.000 0.637 229 S N 0.861 116.527 115.700 -0.057 0.000 2.584 229 S HA -0.004 4.466 4.470 -0.001 0.000 0.270 229 S C 0.502 175.089 174.600 -0.022 0.000 1.346 229 S CA 0.048 58.221 58.200 -0.045 0.000 1.018 229 S CB 1.239 64.412 63.200 -0.046 0.000 0.899 229 S HN 0.831 nan 8.310 nan 0.000 0.542 230 D N 0.675 121.063 120.400 -0.020 0.000 2.178 230 D HA -0.108 4.531 4.640 -0.001 0.000 0.202 230 D C 1.899 178.221 176.300 0.037 0.000 0.974 230 D CA 1.356 55.370 54.000 0.023 0.000 0.841 230 D CB 0.020 40.800 40.800 -0.032 0.000 0.953 230 D HN 0.700 nan 8.370 nan 0.000 0.478 231 E N 0.686 120.867 120.200 -0.031 0.000 2.107 231 E HA -0.161 4.189 4.350 -0.001 0.000 0.191 231 E C 1.906 178.527 176.600 0.035 0.000 0.982 231 E CA 0.711 57.092 56.400 -0.033 0.000 0.809 231 E CB -0.687 28.976 29.700 -0.061 0.000 0.756 231 E HN 0.504 nan 8.360 nan 0.000 0.459 232 E N 0.659 120.867 120.200 0.012 0.000 2.110 232 E HA -0.146 4.203 4.350 -0.001 0.000 0.193 232 E C 2.067 178.687 176.600 0.034 0.000 0.988 232 E CA 0.700 57.101 56.400 0.003 0.000 0.804 232 E CB -0.156 29.512 29.700 -0.052 0.000 0.745 232 E HN 0.063 nan 8.360 nan 0.000 0.458 233 L N 0.842 122.109 121.223 0.075 0.000 2.017 233 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 233 L C 2.133 179.126 176.870 0.205 0.000 1.073 233 L CA 1.905 56.811 54.840 0.110 0.000 0.745 233 L CB -0.474 41.698 42.059 0.189 0.000 0.894 233 L HN 0.222 nan 8.230 nan 0.000 0.432 234 H N -0.600 118.550 119.070 0.133 0.000 2.321 234 H HA -0.149 4.406 4.556 -0.001 0.000 0.300 234 H C 2.072 177.490 175.328 0.151 0.000 1.087 234 H CA 1.783 57.930 56.048 0.165 0.000 1.319 234 H CB 0.154 29.956 29.762 0.067 0.000 1.379 234 H HN 0.509 nan 8.280 nan 0.000 0.501 235 E N 0.285 120.614 120.200 0.216 0.000 2.118 235 E HA -0.179 4.170 4.350 -0.001 0.000 0.195 235 E C 1.953 178.648 176.600 0.157 0.000 0.992 235 E CA 0.873 57.370 56.400 0.161 0.000 0.804 235 E CB -0.173 29.586 29.700 0.100 0.000 0.741 235 E HN 0.272 nan 8.360 nan 0.000 0.458 236 F N 0.429 120.309 119.950 -0.116 0.000 2.134 236 F HA -0.199 4.327 4.527 -0.001 0.000 0.299 236 F C 1.635 177.250 175.800 -0.309 0.000 1.097 236 F CA 1.349 59.167 58.000 -0.302 0.000 1.264 236 F CB -0.232 38.427 39.000 -0.568 0.000 1.001 236 F HN -0.074 nan 8.300 nan 0.000 0.479 237 F N -0.549 119.324 119.950 -0.128 0.000 2.187 237 F HA -0.085 4.442 4.527 -0.001 0.000 0.295 237 F C 2.856 178.679 175.800 0.038 0.000 1.091 237 F CA 1.608 59.469 58.000 -0.231 0.000 1.308 237 F CB -1.356 37.509 39.000 -0.224 0.000 1.030 237 F HN 0.124 nan 8.300 nan 0.000 0.487 238 H N 0.003 119.188 119.070 0.192 0.000 2.321 238 H HA -0.115 4.440 4.556 -0.001 0.000 0.300 238 H C 2.392 177.841 175.328 0.202 0.000 1.087 238 H CA 1.548 57.705 56.048 0.183 0.000 1.319 238 H CB -0.524 29.271 29.762 0.055 0.000 1.379 238 H HN 0.329 nan 8.280 nan 0.000 0.501 239 G N 0.239 109.118 108.800 0.133 0.000 2.479 239 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.220 239 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.220 239 G C 1.535 176.420 174.900 -0.025 0.000 1.115 239 G CA 0.641 45.775 45.100 0.057 0.000 0.757 239 G HN 0.383 nan 8.290 nan 0.000 0.560 240 M N 0.268 119.834 119.600 -0.058 0.000 2.453 240 M HA 0.277 4.756 4.480 -0.001 0.000 0.239 240 M C 1.465 177.664 176.300 -0.168 0.000 1.151 240 M CA 0.498 55.755 55.300 -0.072 0.000 0.989 240 M CB 0.683 33.256 32.600 -0.045 0.000 1.548 240 M HN 0.282 nan 8.290 nan 0.000 0.479 241 G N 0.529 109.240 108.800 -0.148 0.000 2.142 241 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.225 241 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.225 241 G C -0.608 174.150 174.900 -0.238 0.000 1.015 241 G CA -0.340 44.556 45.100 -0.339 0.000 0.716 241 G HN 0.447 nan 8.290 nan 0.000 0.508 242 Y N -0.709 119.748 120.300 0.261 0.000 2.549 242 Y HA 0.665 5.215 4.550 -0.001 0.000 0.339 242 Y C 0.378 176.461 175.900 0.304 0.000 1.053 242 Y CA -1.427 56.847 58.100 0.289 0.000 1.105 242 Y CB 1.622 40.195 38.460 0.188 0.000 1.258 242 Y HN 0.086 nan 8.280 nan 0.000 0.478 243 E N 4.619 125.080 120.200 0.435 0.000 2.046 243 E HA 0.332 4.681 4.350 -0.001 0.000 0.279 243 E C -2.808 173.890 176.600 0.162 0.000 0.989 243 E CA -2.671 53.879 56.400 0.250 0.000 0.798 243 E CB 0.713 30.529 29.700 0.194 0.000 1.086 243 E HN 0.132 nan 8.360 nan 0.000 0.399 244 P HA 0.155 nan 4.420 nan 0.000 0.285 244 P C -1.222 175.981 177.300 -0.162 0.000 1.259 244 P CA -0.221 62.846 63.100 -0.056 0.000 0.794 244 P CB 0.478 32.051 31.700 -0.210 0.000 0.940 245 Y N 0.213 120.503 120.300 -0.017 0.000 2.409 245 Y HA 0.447 4.996 4.550 -0.001 0.000 0.343 245 Y C 0.778 176.740 175.900 0.103 0.000 0.973 245 Y CA -0.529 57.611 58.100 0.066 0.000 1.064 245 Y CB 2.463 40.946 38.460 0.039 0.000 1.207 245 Y HN 0.358 nan 8.280 nan 0.000 0.452 246 E N 2.811 123.208 120.200 0.329 0.000 2.222 246 E HA 0.459 4.809 4.350 -0.001 0.000 0.267 246 E C -2.050 174.777 176.600 0.378 0.000 0.884 246 E CA -0.747 55.845 56.400 0.320 0.000 0.764 246 E CB 1.306 31.197 29.700 0.320 0.000 1.169 246 E HN 0.485 nan 8.360 nan 0.000 0.413 247 F N 4.539 124.633 119.950 0.240 0.000 2.507 247 F HA 0.503 5.030 4.527 -0.001 0.000 0.325 247 F C -1.485 174.386 175.800 0.117 0.000 1.116 247 F CA -0.658 57.488 58.000 0.244 0.000 0.930 247 F CB 1.412 40.695 39.000 0.472 0.000 1.146 247 F HN 0.225 nan 8.300 nan 0.000 0.447 248 V N 5.177 124.755 119.914 -0.559 0.000 2.531 248 V HA 0.927 5.046 4.120 -0.001 0.000 0.301 248 V C -0.618 175.090 176.094 -0.644 0.000 1.034 248 V CA -0.512 61.532 62.300 -0.427 0.000 0.865 248 V CB 1.063 32.751 31.823 -0.224 0.000 0.995 248 V HN 1.038 nan 8.190 nan 0.000 0.424 249 A N 2.877 125.407 122.820 -0.484 0.000 2.604 249 A HA 0.825 5.144 4.320 -0.001 0.000 0.295 249 A C 0.577 177.793 177.584 -0.613 0.000 1.067 249 A CA 0.133 51.907 52.037 -0.439 0.000 0.683 249 A CB 1.535 20.337 19.000 -0.329 0.000 1.281 249 A HN 2.057 nan 8.150 nan 0.000 0.407 250 G N -0.926 107.662 108.800 -0.352 0.000 2.194 250 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.236 250 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.236 250 G C 0.366 174.939 174.900 -0.545 0.000 0.987 250 G CA 0.736 45.510 45.100 -0.544 0.000 0.635 250 G HN 1.023 nan 8.290 nan 0.000 0.520 251 F N 2.335 122.151 119.950 -0.223 0.000 2.797 251 F HA 0.356 4.883 4.527 -0.001 0.000 0.302 251 F C 1.374 177.143 175.800 -0.051 0.000 1.130 251 F CA 0.630 58.550 58.000 -0.133 0.000 1.387 251 F CB 0.241 39.152 39.000 -0.148 0.000 1.107 251 F HN 0.409 nan 8.300 nan 0.000 0.577 252 D N -2.940 117.524 120.400 0.107 0.000 3.076 252 D HA 0.139 4.778 4.640 -0.001 0.000 0.301 252 D C -0.197 176.165 176.300 0.104 0.000 1.260 252 D CA -0.541 53.518 54.000 0.098 0.000 1.027 252 D CB 0.072 40.922 40.800 0.082 0.000 1.370 252 D HN -0.288 nan 8.370 nan 0.000 0.602 253 D N -0.533 119.924 120.400 0.096 0.000 2.388 253 D HA 0.066 4.706 4.640 -0.001 0.000 0.221 253 D C -0.183 176.188 176.300 0.118 0.000 1.133 253 D CA -0.088 53.972 54.000 0.099 0.000 0.831 253 D CB 0.113 40.954 40.800 0.068 0.000 0.962 253 D HN 0.424 nan 8.370 nan 0.000 0.502 254 E N 2.033 122.316 120.200 0.138 0.000 2.529 254 E HA -0.058 4.292 4.350 -0.001 0.000 0.259 254 E C -0.246 176.486 176.600 0.219 0.000 0.966 254 E CA -0.175 56.321 56.400 0.160 0.000 0.937 254 E CB 0.497 30.293 29.700 0.160 0.000 0.923 254 E HN 0.199 nan 8.360 nan 0.000 0.468 255 D N 2.440 122.948 120.400 0.180 0.000 2.399 255 D HA -0.052 4.587 4.640 -0.001 0.000 0.241 255 D C 0.628 177.124 176.300 0.327 0.000 1.133 255 D CA 0.150 54.259 54.000 0.181 0.000 0.890 255 D CB 0.638 41.510 40.800 0.121 0.000 1.201 255 D HN 0.536 nan 8.370 nan 0.000 0.432 256 H N 0.526 119.718 119.070 0.204 0.000 2.387 256 H HA -0.126 4.429 4.556 -0.001 0.000 0.299 256 H C 1.597 177.023 175.328 0.164 0.000 1.099 256 H CA 0.776 56.961 56.048 0.229 0.000 1.315 256 H CB 0.115 30.088 29.762 0.352 0.000 1.380 256 H HN 0.411 nan 8.280 nan 0.000 0.513 257 M N 0.066 119.890 119.600 0.373 0.000 2.229 257 M HA -0.127 4.353 4.480 -0.001 0.000 0.264 257 M C 2.632 179.110 176.300 0.297 0.000 1.063 257 M CA 0.884 56.400 55.300 0.359 0.000 1.114 257 M CB -0.690 32.066 32.600 0.261 0.000 1.387 257 M HN 0.190 nan 8.290 nan 0.000 0.420 258 S N 0.573 116.425 115.700 0.253 0.000 2.383 258 S HA -0.054 4.416 4.470 -0.001 0.000 0.227 258 S C 1.939 176.713 174.600 0.290 0.000 1.026 258 S CA 0.680 59.023 58.200 0.237 0.000 0.981 258 S CB -0.181 63.135 63.200 0.193 0.000 0.818 258 S HN 0.425 nan 8.310 nan 0.000 0.472 259 I N 1.390 122.138 120.570 0.296 0.000 2.163 259 I HA -0.205 3.965 4.170 -0.001 0.000 0.243 259 I C 2.598 179.010 176.117 0.491 0.000 1.085 259 I CA 1.630 63.164 61.300 0.390 0.000 1.347 259 I CB -0.673 37.520 38.000 0.322 0.000 1.044 259 I HN 0.391 nan 8.210 nan 0.000 0.408 260 H N 0.471 119.839 119.070 0.496 0.000 2.390 260 H HA -0.177 4.379 4.556 -0.001 0.000 0.298 260 H C 2.432 177.979 175.328 0.365 0.000 1.106 260 H CA 1.536 57.838 56.048 0.424 0.000 1.297 260 H CB -0.374 29.538 29.762 0.251 0.000 1.375 260 H HN 0.259 nan 8.280 nan 0.000 0.509 261 R N 0.552 121.302 120.500 0.417 0.000 2.066 261 R HA -0.008 4.331 4.340 -0.001 0.000 0.232 261 R C 2.652 179.136 176.300 0.306 0.000 1.131 261 R CA 0.891 57.173 56.100 0.305 0.000 0.955 261 R CB 0.117 30.562 30.300 0.242 0.000 0.851 261 R HN 0.206 nan 8.270 nan 0.000 0.432 262 R N -0.958 119.764 120.500 0.370 0.000 2.081 262 R HA -0.166 4.173 4.340 -0.001 0.000 0.235 262 R C 2.169 178.719 176.300 0.418 0.000 1.131 262 R CA 1.674 58.021 56.100 0.412 0.000 0.960 262 R CB -0.433 30.178 30.300 0.518 0.000 0.856 262 R HN 0.238 nan 8.270 nan 0.000 0.436 263 F N 1.307 121.373 119.950 0.193 0.000 2.113 263 F HA -0.131 4.396 4.527 -0.001 0.000 0.297 263 F C 2.397 178.098 175.800 -0.165 0.000 1.103 263 F CA 1.377 59.179 58.000 -0.329 0.000 1.248 263 F CB -0.222 38.392 39.000 -0.644 0.000 0.999 263 F HN -0.012 nan 8.300 nan 0.000 0.475 264 A N -0.173 122.716 122.820 0.114 0.000 1.940 264 A HA -0.282 4.037 4.320 -0.001 0.000 0.219 264 A C 2.182 179.825 177.584 0.099 0.000 1.176 264 A CA 1.994 54.106 52.037 0.125 0.000 0.631 264 A CB -0.993 18.141 19.000 0.223 0.000 0.814 264 A HN 0.615 nan 8.150 nan 0.000 0.446 265 E N -0.442 119.821 120.200 0.104 0.000 2.107 265 E HA -0.102 4.247 4.350 -0.001 0.000 0.191 265 E C 1.960 178.590 176.600 0.050 0.000 0.982 265 E CA 0.695 57.159 56.400 0.107 0.000 0.809 265 E CB -0.182 29.599 29.700 0.134 0.000 0.756 265 E HN 0.583 nan 8.360 nan 0.000 0.459 266 L N 0.707 121.919 121.223 -0.017 0.000 2.027 266 L HA -0.168 4.171 4.340 -0.001 0.000 0.206 266 L C 2.359 179.091 176.870 -0.231 0.000 1.074 266 L CA 1.454 56.238 54.840 -0.093 0.000 0.745 266 L CB -0.593 41.402 42.059 -0.107 0.000 0.898 266 L HN 0.521 nan 8.230 nan 0.000 0.433 267 W N 1.171 122.145 121.300 -0.544 0.000 2.338 267 W HA -0.240 4.420 4.660 -0.001 0.000 0.304 267 W C 2.202 178.583 176.519 -0.231 0.000 1.212 267 W CA 1.479 58.521 57.345 -0.505 0.000 1.264 267 W CB -0.070 29.058 29.460 -0.554 0.000 1.142 267 W HN 0.255 nan 8.180 nan 0.000 0.512 268 E N -0.436 119.823 120.200 0.099 0.000 2.150 268 E HA -0.131 4.218 4.350 -0.001 0.000 0.193 268 E C 2.028 178.667 176.600 0.065 0.000 0.985 268 E CA 1.786 58.289 56.400 0.172 0.000 0.814 268 E CB -0.673 29.175 29.700 0.248 0.000 0.752 268 E HN 0.238 nan 8.360 nan 0.000 0.466 269 T N 1.614 116.150 114.554 -0.031 0.000 2.701 269 T HA -0.049 4.300 4.350 -0.001 0.000 0.263 269 T C 2.157 176.722 174.700 -0.225 0.000 1.040 269 T CA 0.747 62.812 62.100 -0.059 0.000 1.147 269 T CB -0.199 68.663 68.868 -0.008 0.000 0.865 269 T HN 0.087 nan 8.240 nan 0.000 0.426 270 I N 0.150 120.432 120.570 -0.480 0.000 2.163 270 I HA -0.219 3.951 4.170 -0.001 0.000 0.243 270 I C 2.453 178.318 176.117 -0.419 0.000 1.085 270 I CA 1.424 62.306 61.300 -0.697 0.000 1.347 270 I CB -0.297 37.154 38.000 -0.915 0.000 1.044 270 I HN 0.456 nan 8.210 nan 0.000 0.408 271 W N 2.241 123.177 121.300 -0.608 0.000 2.355 271 W HA -0.252 4.408 4.660 -0.001 0.000 0.309 271 W C 2.131 178.521 176.519 -0.215 0.000 1.206 271 W CA 1.682 58.745 57.345 -0.469 0.000 1.284 271 W CB -0.246 28.938 29.460 -0.460 0.000 1.145 271 W HN 0.213 nan 8.180 nan 0.000 0.502 272 D N 0.433 120.777 120.400 -0.093 0.000 2.133 272 D HA -0.272 4.367 4.640 -0.001 0.000 0.192 272 D C 1.779 177.961 176.300 -0.197 0.000 1.001 272 D CA 2.186 56.116 54.000 -0.117 0.000 0.844 272 D CB -0.605 40.191 40.800 -0.006 0.000 0.944 272 D HN 0.212 nan 8.370 nan 0.000 0.447 273 E N 0.515 120.610 120.200 -0.175 0.000 2.051 273 E HA -0.105 4.245 4.350 -0.001 0.000 0.192 273 E C 2.204 178.666 176.600 -0.229 0.000 0.991 273 E CA 0.687 57.003 56.400 -0.141 0.000 0.799 273 E CB -0.417 29.259 29.700 -0.038 0.000 0.748 273 E HN 0.314 nan 8.360 nan 0.000 0.449 274 I N -0.222 120.141 120.570 -0.344 0.000 2.208 274 I HA -0.362 3.807 4.170 -0.001 0.000 0.245 274 I C 2.260 178.049 176.117 -0.547 0.000 1.097 274 I CA 0.923 61.958 61.300 -0.443 0.000 1.363 274 I CB -0.209 37.441 38.000 -0.584 0.000 1.051 274 I HN 0.292 nan 8.210 nan 0.000 0.413 275 C N 0.471 119.389 119.300 -0.636 0.000 2.446 275 C HA -0.149 4.310 4.460 -0.001 0.000 0.277 275 C C 2.429 177.261 174.990 -0.262 0.000 1.275 275 C CA 0.633 59.383 59.018 -0.447 0.000 1.727 275 C CB -1.000 26.502 27.740 -0.396 0.000 2.010 275 C HN 0.520 nan 8.230 nan 0.000 0.486 276 D N 1.034 121.303 120.400 -0.218 0.000 2.116 276 D HA -0.126 4.513 4.640 -0.001 0.000 0.193 276 D C 1.842 178.035 176.300 -0.178 0.000 0.998 276 D CA 1.271 55.177 54.000 -0.156 0.000 0.836 276 D CB -0.471 40.259 40.800 -0.117 0.000 0.951 276 D HN 0.454 nan 8.370 nan 0.000 0.449 277 I N 0.477 120.912 120.570 -0.225 0.000 2.264 277 I HA -0.235 3.935 4.170 -0.001 0.000 0.248 277 I C 2.363 178.317 176.117 -0.271 0.000 1.111 277 I CA 1.030 62.183 61.300 -0.245 0.000 1.382 277 I CB -0.009 37.823 38.000 -0.279 0.000 1.060 277 I HN -0.067 nan 8.210 nan 0.000 0.418 278 K N 0.500 120.692 120.400 -0.348 0.000 2.116 278 K HA 0.034 4.354 4.320 -0.001 0.000 0.203 278 K C 2.177 178.633 176.600 -0.241 0.000 1.052 278 K CA 1.191 57.226 56.287 -0.421 0.000 0.952 278 K CB -0.081 31.962 32.500 -0.761 0.000 0.729 278 K HN 0.267 nan 8.250 nan 0.000 0.446 279 A N 0.874 123.594 122.820 -0.166 0.000 1.855 279 A HA -0.116 4.203 4.320 -0.001 0.000 0.215 279 A C 2.273 179.808 177.584 -0.082 0.000 1.191 279 A CA 2.052 54.036 52.037 -0.087 0.000 0.613 279 A CB -1.042 17.921 19.000 -0.062 0.000 0.829 279 A HN 0.244 nan 8.150 nan 0.000 0.442 280 T N 0.705 115.202 114.554 -0.096 0.000 2.685 280 T HA -0.183 4.166 4.350 -0.001 0.000 0.268 280 T C 2.051 176.704 174.700 -0.078 0.000 1.034 280 T CA 1.922 63.973 62.100 -0.082 0.000 1.149 280 T CB -0.499 68.313 68.868 -0.092 0.000 0.860 280 T HN 0.618 nan 8.240 nan 0.000 0.449 281 A N 1.091 123.848 122.820 -0.106 0.000 2.121 281 A HA -0.069 4.250 4.320 -0.001 0.000 0.218 281 A C 2.239 179.785 177.584 -0.064 0.000 1.154 281 A CA 0.834 52.815 52.037 -0.093 0.000 0.679 281 A CB -0.304 18.619 19.000 -0.128 0.000 0.795 281 A HN 0.347 nan 8.150 nan 0.000 0.458 282 Q N -0.653 119.114 119.800 -0.055 0.000 2.369 282 Q HA -0.038 4.301 4.340 -0.001 0.000 0.206 282 Q C 1.491 177.480 176.000 -0.017 0.000 0.963 282 Q CA 1.716 57.503 55.803 -0.027 0.000 0.894 282 Q CB -0.489 28.240 28.738 -0.014 0.000 0.965 282 Q HN 0.636 nan 8.270 nan 0.000 0.475 283 T N 0.060 114.600 114.554 -0.022 0.000 3.087 283 T HA 0.008 4.358 4.350 -0.001 0.000 0.237 283 T C 0.172 174.866 174.700 -0.010 0.000 0.990 283 T CA 0.323 62.415 62.100 -0.013 0.000 1.160 283 T CB 0.284 69.143 68.868 -0.015 0.000 0.923 283 T HN 0.064 nan 8.240 nan 0.000 0.442 284 D N 2.373 122.766 120.400 -0.012 0.000 2.446 284 D HA 0.186 4.825 4.640 -0.001 0.000 0.251 284 D C -0.359 175.934 176.300 -0.012 0.000 1.137 284 D CA -0.516 53.491 54.000 0.011 0.000 0.890 284 D CB 0.292 41.119 40.800 0.046 0.000 1.071 284 D HN 0.202 nan 8.370 nan 0.000 0.528 285 N N 3.239 121.916 118.700 -0.039 0.000 2.328 285 N HA 0.004 4.743 4.740 -0.001 0.000 0.247 285 N C 0.136 175.581 175.510 -0.108 0.000 1.165 285 N CA -0.213 52.799 53.050 -0.064 0.000 0.873 285 N CB 0.589 39.041 38.487 -0.059 0.000 1.125 285 N HN 0.176 nan 8.380 nan 0.000 0.513 286 V N -0.193 119.639 119.914 -0.136 0.000 3.523 286 V HA 0.141 4.260 4.120 -0.001 0.000 0.255 286 V C -0.312 175.541 176.094 -0.400 0.000 1.226 286 V CA 0.486 62.613 62.300 -0.289 0.000 1.092 286 V CB -0.424 31.192 31.823 -0.344 0.000 0.817 286 V HN 0.325 nan 8.190 nan 0.000 0.458 287 H N 0.483 119.500 119.070 -0.088 0.000 2.504 287 H HA 0.456 5.012 4.556 -0.001 0.000 0.322 287 H C 0.318 175.559 175.328 -0.145 0.000 1.055 287 H CA -0.474 55.517 56.048 -0.095 0.000 1.231 287 H CB 0.592 30.305 29.762 -0.082 0.000 1.417 287 H HN 0.097 nan 8.280 nan 0.000 0.472 288 R N 5.137 125.584 120.500 -0.088 0.000 2.421 288 R HA 0.101 4.441 4.340 -0.001 0.000 0.305 288 R C -2.142 173.979 176.300 -0.299 0.000 1.039 288 R CA -1.236 54.744 56.100 -0.201 0.000 1.003 288 R CB 0.293 30.446 30.300 -0.245 0.000 0.959 288 R HN 0.533 nan 8.270 nan 0.000 0.427 289 P HA 0.093 nan 4.420 nan 0.000 0.278 289 P C -0.996 175.958 177.300 -0.577 0.000 1.266 289 P CA -0.337 62.504 63.100 -0.432 0.000 0.807 289 P CB 0.582 31.977 31.700 -0.508 0.000 1.094 290 F N 0.241 120.007 119.950 -0.307 0.000 2.438 290 F HA 0.211 4.737 4.527 -0.001 0.000 0.360 290 F C 0.584 176.269 175.800 -0.191 0.000 1.118 290 F CA -0.056 57.809 58.000 -0.225 0.000 1.164 290 F CB 0.014 38.945 39.000 -0.115 0.000 1.131 290 F HN 0.151 nan 8.300 nan 0.000 0.527 291 Y N 4.418 124.771 120.300 0.089 0.000 2.335 291 Y HA 0.252 4.801 4.550 -0.001 0.000 0.331 291 Y C -1.915 174.173 175.900 0.312 0.000 1.094 291 Y CA -2.625 55.570 58.100 0.158 0.000 1.253 291 Y CB 0.035 38.596 38.460 0.168 0.000 1.203 291 Y HN 0.426 nan 8.280 nan 0.000 0.508 292 P HA -0.044 nan 4.420 nan 0.000 0.266 292 P C -0.735 176.762 177.300 0.329 0.000 1.193 292 P CA 0.206 63.532 63.100 0.377 0.000 0.770 292 P CB 0.420 32.201 31.700 0.135 0.000 0.836 293 M N 2.514 122.253 119.600 0.233 0.000 2.619 293 M HA 0.682 5.162 4.480 -0.001 0.000 0.297 293 M C -1.802 174.497 176.300 -0.002 0.000 1.229 293 M CA -1.104 54.181 55.300 -0.024 0.000 0.860 293 M CB 1.524 33.871 32.600 -0.421 0.000 1.741 293 M HN 0.021 nan 8.290 nan 0.000 0.462 294 L N 2.537 123.740 121.223 -0.034 0.000 2.333 294 L HA 0.722 5.062 4.340 -0.001 0.000 0.280 294 L C -1.676 175.243 176.870 0.082 0.000 1.004 294 L CA -0.477 54.411 54.840 0.080 0.000 0.820 294 L CB 1.181 43.312 42.059 0.121 0.000 1.247 294 L HN 0.843 nan 8.230 nan 0.000 0.416 295 I N 5.598 126.239 120.570 0.119 0.000 2.322 295 I HA 0.180 4.350 4.170 -0.001 0.000 0.292 295 I C -0.874 175.468 176.117 0.375 0.000 1.060 295 I CA 0.002 61.410 61.300 0.179 0.000 1.309 295 I CB 0.483 38.554 38.000 0.119 0.000 1.415 295 I HN 0.535 nan 8.210 nan 0.000 0.492 296 F N 7.584 127.681 119.950 0.244 0.000 2.293 296 F HA 0.402 4.928 4.527 -0.001 0.000 0.370 296 F C 0.251 176.211 175.800 0.266 0.000 1.090 296 F CA -0.659 57.530 58.000 0.316 0.000 1.133 296 F CB 0.363 39.540 39.000 0.296 0.000 1.360 296 F HN 0.341 nan 8.300 nan 0.000 0.489 297 R N 4.777 125.245 120.500 -0.053 0.000 2.215 297 R HA 0.465 4.804 4.340 -0.001 0.000 0.337 297 R C -0.918 175.267 176.300 -0.191 0.000 1.010 297 R CA 0.010 56.075 56.100 -0.058 0.000 0.871 297 R CB 0.561 30.867 30.300 0.010 0.000 1.134 297 R HN 0.754 nan 8.270 nan 0.000 0.477 298 T N 1.139 115.516 114.554 -0.297 0.000 2.864 298 T HA 0.552 4.902 4.350 -0.001 0.000 0.299 298 T C -2.959 171.336 174.700 -0.674 0.000 1.166 298 T CA -2.302 59.330 62.100 -0.780 0.000 1.007 298 T CB 2.208 70.338 68.868 -1.231 0.000 1.219 298 T HN 0.223 nan 8.240 nan 0.000 0.506 299 P HA 0.322 nan 4.420 nan 0.000 0.276 299 P C -0.583 176.625 177.300 -0.153 0.000 1.230 299 P CA -0.605 62.119 63.100 -0.626 0.000 0.776 299 P CB 0.454 31.694 31.700 -0.767 0.000 0.888 300 K N 1.980 122.411 120.400 0.052 0.000 2.382 300 K HA 0.296 4.615 4.320 -0.001 0.000 0.275 300 K C 1.163 177.836 176.600 0.122 0.000 1.009 300 K CA 0.806 57.167 56.287 0.123 0.000 0.970 300 K CB -0.531 32.103 32.500 0.224 0.000 0.934 300 K HN 0.751 nan 8.250 nan 0.000 0.479 301 G N 3.344 112.227 108.800 0.139 0.000 2.184 301 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.264 301 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.264 301 G C -0.265 174.938 174.900 0.505 0.000 0.975 301 G CA 0.082 45.343 45.100 0.269 0.000 0.642 301 G HN 0.790 nan 8.290 nan 0.000 0.536 302 W N 1.810 123.194 121.300 0.140 0.000 2.598 302 W HA 0.182 4.842 4.660 -0.001 0.000 0.334 302 W C 1.569 178.295 176.519 0.346 0.000 1.006 302 W CA 2.454 59.898 57.345 0.165 0.000 1.121 302 W CB -0.673 28.883 29.460 0.160 0.000 1.094 302 W HN 1.593 nan 8.180 nan 0.000 0.558 303 T N -0.021 114.842 114.554 0.514 0.000 5.506 303 T HA -0.284 4.065 4.350 -0.001 0.000 0.269 303 T C 0.636 175.474 174.700 0.231 0.000 2.212 303 T CA 0.535 62.817 62.100 0.304 0.000 3.781 303 T CB -2.588 66.378 68.868 0.162 0.000 0.479 303 T HN 1.276 nan 8.240 nan 0.000 0.969 304 C N 1.581 120.994 119.300 0.188 0.000 2.633 304 C HA 0.748 5.207 4.460 -0.001 0.000 0.345 304 C C -1.888 172.786 174.990 -0.527 0.000 1.384 304 C CA -1.657 57.015 59.018 -0.576 0.000 2.418 304 C CB -0.405 26.954 27.740 -0.635 0.000 2.425 304 C HN 0.445 nan 8.230 nan 0.000 0.705 305 P HA 0.148 nan 4.420 nan 0.000 0.264 305 P C 0.303 177.420 177.300 -0.305 0.000 1.193 305 P CA 0.348 63.191 63.100 -0.428 0.000 0.763 305 P CB 0.357 31.798 31.700 -0.432 0.000 0.810 306 K N 1.934 122.219 120.400 -0.192 0.000 2.044 306 K HA -0.145 4.174 4.320 -0.001 0.000 0.210 306 K C 0.087 176.389 176.600 -0.497 0.000 1.049 306 K CA 1.665 57.804 56.287 -0.247 0.000 0.927 306 K CB -0.214 32.253 32.500 -0.054 0.000 0.713 306 K HN 0.489 nan 8.250 nan 0.000 0.443 307 Y N -0.795 119.424 120.300 -0.135 0.000 2.477 307 Y HA 0.446 4.996 4.550 -0.001 0.000 0.347 307 Y C -0.493 175.326 175.900 -0.135 0.000 0.981 307 Y CA -0.982 57.043 58.100 -0.125 0.000 1.033 307 Y CB 1.734 40.141 38.460 -0.088 0.000 1.245 307 Y HN -0.169 nan 8.280 nan 0.000 0.455 308 I N 3.062 123.636 120.570 0.007 0.000 2.478 308 I HA 0.226 4.396 4.170 -0.001 0.000 0.287 308 I C -0.970 175.160 176.117 0.023 0.000 1.042 308 I CA -0.753 60.532 61.300 -0.024 0.000 1.067 308 I CB 1.833 39.761 38.000 -0.119 0.000 1.233 308 I HN 0.693 nan 8.210 nan 0.000 0.431 309 D N 5.246 125.679 120.400 0.056 0.000 2.708 309 D HA -0.189 4.451 4.640 -0.001 0.000 0.236 309 D C 1.162 177.492 176.300 0.050 0.000 1.146 309 D CA 1.764 55.804 54.000 0.067 0.000 0.662 309 D CB -0.812 40.047 40.800 0.099 0.000 1.059 309 D HN 1.168 nan 8.370 nan 0.000 0.428 310 G N -1.090 107.744 108.800 0.057 0.000 2.184 310 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.264 310 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.264 310 G C 0.227 175.203 174.900 0.127 0.000 0.975 310 G CA 0.671 45.798 45.100 0.046 0.000 0.642 310 G HN 0.354 nan 8.290 nan 0.000 0.536 311 K N 0.710 121.184 120.400 0.124 0.000 2.185 311 K HA 0.364 4.684 4.320 -0.001 0.000 0.269 311 K C 0.374 176.972 176.600 -0.002 0.000 0.987 311 K CA -0.801 55.523 56.287 0.062 0.000 0.865 311 K CB 1.694 34.158 32.500 -0.059 0.000 1.090 311 K HN 0.280 nan 8.250 nan 0.000 0.450 312 K N 1.662 121.984 120.400 -0.129 0.000 2.472 312 K HA -0.020 4.299 4.320 -0.001 0.000 0.280 312 K C -0.010 176.278 176.600 -0.521 0.000 1.028 312 K CA 0.711 56.632 56.287 -0.609 0.000 1.045 312 K CB 0.487 32.728 32.500 -0.432 0.000 0.902 312 K HN 0.519 nan 8.250 nan 0.000 0.478 313 T N 2.455 116.690 114.554 -0.532 0.000 3.221 313 T HA -0.011 4.338 4.350 -0.001 0.000 0.250 313 T C -0.181 174.334 174.700 -0.308 0.000 0.988 313 T CA -0.193 61.672 62.100 -0.391 0.000 1.163 313 T CB 0.069 68.743 68.868 -0.323 0.000 1.098 313 T HN 0.613 nan 8.240 nan 0.000 0.422 314 E N 1.144 121.175 120.200 -0.282 0.000 2.414 314 E HA 0.315 4.664 4.350 -0.001 0.000 0.263 314 E C 0.595 177.081 176.600 -0.190 0.000 1.000 314 E CA 0.670 56.976 56.400 -0.156 0.000 0.914 314 E CB 0.276 29.910 29.700 -0.111 0.000 0.948 314 E HN 0.619 nan 8.360 nan 0.000 0.444 315 G N 2.684 111.418 108.800 -0.110 0.000 2.246 315 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.273 315 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.273 315 G C -0.098 174.686 174.900 -0.194 0.000 1.055 315 G CA 0.685 45.758 45.100 -0.046 0.000 0.851 315 G HN 0.572 nan 8.290 nan 0.000 0.500 316 S N -1.365 114.096 115.700 -0.399 0.000 2.588 316 S HA 0.598 5.068 4.470 -0.001 0.000 0.269 316 S C 1.118 175.270 174.600 -0.748 0.000 1.157 316 S CA 0.042 57.662 58.200 -0.966 0.000 0.824 316 S CB 0.315 63.012 63.200 -0.837 0.000 1.126 316 S HN 0.963 nan 8.310 nan 0.000 0.464 317 W N 2.500 123.382 121.300 -0.696 0.000 2.421 317 W HA -0.017 4.643 4.660 -0.001 0.000 0.270 317 W C 1.173 177.674 176.519 -0.030 0.000 1.233 317 W CA 0.444 57.699 57.345 -0.152 0.000 1.226 317 W CB -0.875 28.554 29.460 -0.052 0.000 1.121 317 W HN 0.667 nan 8.180 nan 0.000 0.579 318 R N 1.369 121.416 120.500 -0.756 0.000 2.200 318 R HA -0.134 4.206 4.340 -0.001 0.000 0.234 318 R C 2.214 178.440 176.300 -0.123 0.000 1.127 318 R CA 1.952 57.735 56.100 -0.530 0.000 0.989 318 R CB -0.460 29.372 30.300 -0.780 0.000 0.869 318 R HN 0.226 nan 8.270 nan 0.000 0.459 319 S N -1.104 114.573 115.700 -0.039 0.000 2.605 319 S HA -0.023 4.446 4.470 -0.001 0.000 0.217 319 S C 1.305 176.073 174.600 0.279 0.000 0.958 319 S CA -0.063 58.223 58.200 0.144 0.000 0.919 319 S CB 0.001 63.314 63.200 0.189 0.000 0.780 319 S HN 0.383 nan 8.310 nan 0.000 0.507 320 H N 1.752 120.946 119.070 0.206 0.000 2.289 320 H HA -0.101 4.454 4.556 -0.001 0.000 0.294 320 H C 2.157 177.684 175.328 0.332 0.000 1.095 320 H CA 2.629 58.841 56.048 0.274 0.000 1.256 320 H CB -0.018 29.912 29.762 0.279 0.000 1.359 320 H HN 0.480 nan 8.280 nan 0.000 0.487 321 Q N 0.057 119.967 119.800 0.183 0.000 2.304 321 Q HA 0.154 4.493 4.340 -0.001 0.000 0.199 321 Q C -0.147 175.903 176.000 0.083 0.000 0.997 321 Q CA 0.860 56.665 55.803 0.005 0.000 0.846 321 Q CB 0.370 29.116 28.738 0.014 0.000 1.004 321 Q HN 0.277 nan 8.270 nan 0.000 0.555 322 V N 0.285 120.252 119.914 0.088 0.000 2.495 322 V HA 0.367 4.486 4.120 -0.001 0.000 0.298 322 V C -2.057 174.123 176.094 0.143 0.000 1.031 322 V CA -1.521 60.876 62.300 0.161 0.000 0.871 322 V CB 1.272 33.129 31.823 0.055 0.000 0.988 322 V HN 0.337 nan 8.190 nan 0.000 0.432 323 P HA 0.030 nan 4.420 nan 0.000 0.225 323 P C 0.159 177.410 177.300 -0.082 0.000 1.156 323 P CA 0.605 63.679 63.100 -0.042 0.000 0.787 323 P CB 0.403 31.966 31.700 -0.229 0.000 0.802 324 L N -0.740 120.498 121.223 0.025 0.000 2.318 324 L HA 0.640 4.980 4.340 -0.001 0.000 0.277 324 L C 1.121 178.033 176.870 0.071 0.000 1.008 324 L CA -0.866 53.967 54.840 -0.012 0.000 0.846 324 L CB 0.812 42.878 42.059 0.011 0.000 1.220 324 L HN -0.202 nan 8.230 nan 0.000 0.423 325 A N 3.135 125.926 122.820 -0.048 0.000 2.119 325 A HA 0.232 4.551 4.320 -0.001 0.000 0.217 325 A C 0.949 178.536 177.584 0.005 0.000 1.153 325 A CA 1.045 53.072 52.037 -0.015 0.000 0.692 325 A CB -0.176 18.806 19.000 -0.030 0.000 0.799 325 A HN 0.703 nan 8.150 nan 0.000 0.458 326 S N -2.804 112.893 115.700 -0.006 0.000 2.543 326 S HA 0.561 5.030 4.470 -0.001 0.000 0.273 326 S C -0.341 174.340 174.600 0.135 0.000 1.152 326 S CA 0.142 58.389 58.200 0.078 0.000 0.910 326 S CB 1.550 64.805 63.200 0.092 0.000 1.105 326 S HN 0.956 nan 8.310 nan 0.000 0.465 327 A N 3.986 126.936 122.820 0.217 0.000 2.538 327 A HA 0.437 4.756 4.320 -0.001 0.000 0.269 327 A C 1.218 178.962 177.584 0.266 0.000 1.231 327 A CA -0.265 51.924 52.037 0.253 0.000 0.948 327 A CB 0.032 19.169 19.000 0.229 0.000 1.110 327 A HN 0.766 nan 8.150 nan 0.000 0.529 328 R N -0.145 120.464 120.500 0.182 0.000 2.394 328 R HA 0.029 4.369 4.340 -0.001 0.000 0.220 328 R C 0.953 177.307 176.300 0.089 0.000 0.887 328 R CA 0.767 56.929 56.100 0.103 0.000 1.034 328 R CB 0.249 30.589 30.300 0.066 0.000 1.179 328 R HN 0.543 nan 8.270 nan 0.000 0.561 329 D N 0.408 120.890 120.400 0.135 0.000 2.234 329 D HA -0.076 4.563 4.640 -0.001 0.000 0.205 329 D C 0.677 177.017 176.300 0.067 0.000 0.962 329 D CA 1.024 55.090 54.000 0.109 0.000 0.855 329 D CB 0.070 40.954 40.800 0.141 0.000 0.951 329 D HN 0.094 nan 8.370 nan 0.000 0.500 330 T N -4.191 110.403 114.554 0.068 0.000 2.900 330 T HA 0.292 4.641 4.350 -0.001 0.000 0.303 330 T C 0.549 175.258 174.700 0.015 0.000 1.142 330 T CA -0.809 61.271 62.100 -0.033 0.000 1.007 330 T CB 2.507 71.245 68.868 -0.216 0.000 1.156 330 T HN -0.242 nan 8.240 nan 0.000 0.490 331 E N 0.919 121.116 120.200 -0.004 0.000 2.085 331 E HA -0.139 4.211 4.350 -0.001 0.000 0.194 331 E C 2.279 178.921 176.600 0.069 0.000 0.994 331 E CA 1.756 58.184 56.400 0.047 0.000 0.801 331 E CB -0.560 29.145 29.700 0.009 0.000 0.743 331 E HN 0.816 nan 8.360 nan 0.000 0.453 332 A N 0.284 123.088 122.820 -0.027 0.000 1.902 332 A HA -0.211 4.109 4.320 -0.001 0.000 0.217 332 A C 1.916 179.529 177.584 0.048 0.000 1.181 332 A CA 1.813 53.830 52.037 -0.033 0.000 0.623 332 A CB -0.951 17.982 19.000 -0.111 0.000 0.818 332 A HN 0.418 nan 8.150 nan 0.000 0.443 333 H N -2.623 116.475 119.070 0.047 0.000 2.319 333 H HA -0.154 4.401 4.556 -0.001 0.000 0.299 333 H C 1.947 177.301 175.328 0.043 0.000 1.092 333 H CA 1.474 57.549 56.048 0.044 0.000 1.302 333 H CB -0.224 29.575 29.762 0.063 0.000 1.373 333 H HN 0.599 nan 8.280 nan 0.000 0.497 334 F N 2.063 122.062 119.950 0.082 0.000 2.095 334 F HA -0.228 4.299 4.527 -0.001 0.000 0.298 334 F C 2.270 178.068 175.800 -0.003 0.000 1.104 334 F CA 1.250 59.248 58.000 -0.003 0.000 1.232 334 F CB 0.106 39.062 39.000 -0.073 0.000 0.987 334 F HN 0.058 nan 8.300 nan 0.000 0.475 335 E N 0.136 120.304 120.200 -0.053 0.000 2.153 335 E HA -0.159 4.191 4.350 -0.001 0.000 0.194 335 E C 2.507 179.037 176.600 -0.117 0.000 0.988 335 E CA 1.224 57.562 56.400 -0.103 0.000 0.811 335 E CB -0.784 28.922 29.700 0.010 0.000 0.746 335 E HN 0.364 nan 8.360 nan 0.000 0.466 336 V N 1.463 121.338 119.914 -0.064 0.000 2.295 336 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 336 V C 2.449 178.500 176.094 -0.071 0.000 1.049 336 V CA 1.557 63.825 62.300 -0.053 0.000 1.024 336 V CB -0.525 31.287 31.823 -0.019 0.000 0.648 336 V HN 0.180 nan 8.190 nan 0.000 0.447 337 L N 0.618 121.750 121.223 -0.152 0.000 2.027 337 L HA -0.163 4.176 4.340 -0.001 0.000 0.206 337 L C 2.464 179.184 176.870 -0.251 0.000 1.074 337 L CA 2.486 57.189 54.840 -0.229 0.000 0.745 337 L CB -0.845 40.989 42.059 -0.374 0.000 0.898 337 L HN 0.312 nan 8.230 nan 0.000 0.433 338 K N -0.315 119.866 120.400 -0.365 0.000 2.044 338 K HA -0.256 4.063 4.320 -0.001 0.000 0.210 338 K C 1.861 178.411 176.600 -0.082 0.000 1.049 338 K CA 2.454 58.627 56.287 -0.190 0.000 0.927 338 K CB -0.305 32.029 32.500 -0.277 0.000 0.713 338 K HN 0.532 nan 8.250 nan 0.000 0.443 339 N N -0.673 117.986 118.700 -0.068 0.000 2.216 339 N HA -0.141 4.598 4.740 -0.001 0.000 0.183 339 N C 1.265 176.781 175.510 0.010 0.000 1.017 339 N CA 1.023 54.056 53.050 -0.029 0.000 0.861 339 N CB -0.192 38.274 38.487 -0.035 0.000 0.986 339 N HN 0.324 nan 8.380 nan 0.000 0.428 340 W N 2.009 123.173 121.300 -0.227 0.000 2.332 340 W HA -0.055 4.604 4.660 -0.002 0.000 0.321 340 W C 1.519 177.918 176.519 -0.200 0.000 1.219 340 W CA 1.097 58.284 57.345 -0.264 0.000 1.277 340 W CB -0.909 28.349 29.460 -0.336 0.000 1.161 340 W HN 0.006 nan 8.180 nan 0.000 0.476 341 L N 0.490 121.603 121.223 -0.184 0.000 2.079 341 L HA -0.235 4.104 4.340 -0.001 0.000 0.210 341 L C 2.386 179.315 176.870 0.097 0.000 1.081 341 L CA 1.959 56.697 54.840 -0.170 0.000 0.752 341 L CB -0.871 41.000 42.059 -0.312 0.000 0.896 341 L HN 0.027 nan 8.230 nan 0.000 0.433 342 E N -0.453 119.754 120.200 0.011 0.000 2.274 342 E HA -0.155 4.195 4.350 -0.001 0.000 0.194 342 E C 2.253 178.830 176.600 -0.038 0.000 0.996 342 E CA 1.127 57.536 56.400 0.016 0.000 0.840 342 E CB -0.026 29.668 29.700 -0.011 0.000 0.772 342 E HN 0.556 nan 8.360 nan 0.000 0.491 343 S N 0.280 115.893 115.700 -0.145 0.000 2.442 343 S HA -0.186 4.283 4.470 -0.001 0.000 0.236 343 S C 1.598 175.946 174.600 -0.419 0.000 1.007 343 S CA 0.778 58.797 58.200 -0.302 0.000 0.965 343 S CB -0.458 62.510 63.200 -0.386 0.000 0.773 343 S HN 0.300 nan 8.310 nan 0.000 0.504 344 Y N 1.576 121.884 120.300 0.013 0.000 2.583 344 Y HA 0.332 4.881 4.550 -0.001 0.000 0.293 344 Y C 0.886 176.768 175.900 -0.030 0.000 1.157 344 Y CA -0.232 57.863 58.100 -0.008 0.000 1.315 344 Y CB -0.554 37.931 38.460 0.042 0.000 1.021 344 Y HN 0.175 nan 8.280 nan 0.000 0.536 345 K N -0.672 119.762 120.400 0.056 0.000 3.393 345 K HA -0.172 4.147 4.320 -0.001 0.000 0.272 345 K C -2.374 174.217 176.600 -0.016 0.000 1.004 345 K CA 0.313 56.604 56.287 0.006 0.000 0.764 345 K CB -0.890 31.605 32.500 -0.009 0.000 1.373 345 K HN 0.271 nan 8.250 nan 0.000 0.458 346 P HA -0.258 nan 4.420 nan 0.000 0.221 346 P C 1.227 178.533 177.300 0.009 0.000 1.145 346 P CA 1.483 64.509 63.100 -0.123 0.000 0.795 346 P CB 0.113 31.507 31.700 -0.509 0.000 0.775 347 E N 1.436 121.621 120.200 -0.024 0.000 2.209 347 E HA -0.211 4.138 4.350 -0.001 0.000 0.196 347 E C 1.302 177.903 176.600 0.001 0.000 0.993 347 E CA 1.288 57.684 56.400 -0.008 0.000 0.819 347 E CB -0.927 28.762 29.700 -0.019 0.000 0.745 347 E HN 0.414 nan 8.360 nan 0.000 0.477 348 E N 0.196 120.387 120.200 -0.015 0.000 2.442 348 E HA 0.118 4.467 4.350 -0.001 0.000 0.195 348 E C 1.932 178.492 176.600 -0.067 0.000 1.030 348 E CA 0.209 56.591 56.400 -0.030 0.000 0.869 348 E CB 0.158 29.841 29.700 -0.029 0.000 0.857 348 E HN 0.289 nan 8.360 nan 0.000 0.505 349 L N -0.746 120.417 121.223 -0.101 0.000 2.575 349 L HA 0.232 4.571 4.340 -0.001 0.000 0.228 349 L C 0.199 176.795 176.870 -0.457 0.000 1.075 349 L CA -0.004 54.656 54.840 -0.301 0.000 0.867 349 L CB 0.426 42.218 42.059 -0.444 0.000 1.097 349 L HN -0.038 nan 8.230 nan 0.000 0.485 350 F N 0.341 120.216 119.950 -0.125 0.000 2.522 350 F HA 0.323 4.849 4.527 -0.001 0.000 0.324 350 F C 0.286 176.037 175.800 -0.083 0.000 1.077 350 F CA -1.483 56.453 58.000 -0.106 0.000 0.944 350 F CB 1.134 40.056 39.000 -0.131 0.000 1.175 350 F HN -0.077 nan 8.300 nan 0.000 0.468 351 D N 0.954 121.426 120.400 0.119 0.000 2.506 351 D HA 0.379 5.019 4.640 -0.001 0.000 0.272 351 D C 0.941 177.267 176.300 0.043 0.000 1.214 351 D CA -0.455 53.574 54.000 0.048 0.000 1.067 351 D CB 0.368 41.177 40.800 0.014 0.000 1.117 351 D HN 0.514 nan 8.370 nan 0.000 0.578 352 A N -0.431 122.398 122.820 0.014 0.000 2.070 352 A HA -0.197 4.123 4.320 -0.001 0.000 0.220 352 A C 1.826 179.407 177.584 -0.005 0.000 1.159 352 A CA 1.709 53.746 52.037 0.000 0.000 0.656 352 A CB -1.084 17.913 19.000 -0.005 0.000 0.800 352 A HN 0.631 nan 8.150 nan 0.000 0.453 353 N N -0.870 117.832 118.700 0.002 0.000 2.461 353 N HA 0.164 4.904 4.740 -0.001 0.000 0.188 353 N C 0.979 176.489 175.510 -0.001 0.000 1.134 353 N CA 1.211 54.259 53.050 -0.003 0.000 0.878 353 N CB -0.056 38.429 38.487 -0.002 0.000 0.972 353 N HN 0.569 nan 8.380 nan 0.000 0.456 354 G N -1.368 107.443 108.800 0.018 0.000 2.136 354 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.242 354 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.242 354 G C 0.059 175.051 174.900 0.154 0.000 0.989 354 G CA 0.222 45.330 45.100 0.013 0.000 0.682 354 G HN 0.661 nan 8.290 nan 0.000 0.522 355 A N -0.186 122.717 122.820 0.138 0.000 2.310 355 A HA 0.781 5.100 4.320 -0.001 0.000 0.299 355 A C 0.690 178.337 177.584 0.105 0.000 1.147 355 A CA -0.077 52.026 52.037 0.109 0.000 0.818 355 A CB 1.286 20.292 19.000 0.010 0.000 1.096 355 A HN 1.174 nan 8.150 nan 0.000 0.495 356 V N 3.377 123.285 119.914 -0.010 0.000 2.599 356 V HA 0.003 4.122 4.120 -0.001 0.000 0.300 356 V C 0.845 176.833 176.094 -0.177 0.000 1.034 356 V CA 0.222 62.360 62.300 -0.270 0.000 1.115 356 V CB 0.280 31.925 31.823 -0.296 0.000 0.934 356 V HN 0.900 nan 8.190 nan 0.000 0.485 357 K N 3.235 123.519 120.400 -0.193 0.000 2.319 357 K HA 0.070 4.390 4.320 -0.001 0.000 0.265 357 K C 0.612 177.154 176.600 -0.096 0.000 1.000 357 K CA -0.504 55.715 56.287 -0.112 0.000 0.943 357 K CB 0.432 32.873 32.500 -0.099 0.000 0.950 357 K HN 0.580 nan 8.250 nan 0.000 0.485 358 D N 1.637 121.995 120.400 -0.069 0.000 2.117 358 D HA -0.184 4.455 4.640 -0.001 0.000 0.197 358 D C 1.393 177.672 176.300 -0.036 0.000 0.987 358 D CA 1.434 55.399 54.000 -0.058 0.000 0.829 358 D CB -0.115 40.656 40.800 -0.048 0.000 0.961 358 D HN 0.656 nan 8.370 nan 0.000 0.460 359 D N 0.622 121.004 120.400 -0.029 0.000 2.310 359 D HA -0.101 4.538 4.640 -0.001 0.000 0.212 359 D C 1.918 178.230 176.300 0.019 0.000 0.965 359 D CA 0.364 54.361 54.000 -0.006 0.000 0.879 359 D CB -0.262 40.529 40.800 -0.014 0.000 0.921 359 D HN 0.110 nan 8.370 nan 0.000 0.510 360 V N 0.686 120.596 119.914 -0.007 0.000 2.427 360 V HA -0.142 3.977 4.120 -0.001 0.000 0.248 360 V C 2.397 178.593 176.094 0.170 0.000 1.051 360 V CA 1.128 63.445 62.300 0.027 0.000 1.048 360 V CB -0.265 31.508 31.823 -0.083 0.000 0.666 360 V HN 0.253 nan 8.190 nan 0.000 0.456 361 L N -0.744 120.518 121.223 0.066 0.000 2.766 361 L HA 0.348 4.687 4.340 -0.001 0.000 0.242 361 L C 2.257 179.049 176.870 -0.129 0.000 1.136 361 L CA 0.518 55.342 54.840 -0.028 0.000 0.933 361 L CB -0.201 41.795 42.059 -0.105 0.000 1.241 361 L HN 0.242 nan 8.230 nan 0.000 0.522 362 A N 1.086 123.913 122.820 0.010 0.000 2.019 362 A HA -0.213 4.107 4.320 -0.001 0.000 0.219 362 A C 1.932 179.495 177.584 -0.034 0.000 1.164 362 A CA 1.389 53.413 52.037 -0.022 0.000 0.644 362 A CB -0.648 18.363 19.000 0.019 0.000 0.805 362 A HN 0.578 nan 8.150 nan 0.000 0.449 363 F N -1.692 118.206 119.950 -0.087 0.000 2.748 363 F HA 0.310 4.836 4.527 -0.001 0.000 0.299 363 F C 0.770 176.498 175.800 -0.119 0.000 1.154 363 F CA -0.452 57.484 58.000 -0.107 0.000 1.446 363 F CB -0.336 38.587 39.000 -0.129 0.000 1.112 363 F HN -0.079 nan 8.300 nan 0.000 0.584 364 M N 3.046 122.072 119.600 -0.956 0.000 2.245 364 M HA 0.215 4.694 4.480 -0.001 0.000 0.330 364 M C -1.993 174.056 176.300 -0.418 0.000 1.098 364 M CA -1.815 52.961 55.300 -0.873 0.000 1.172 364 M CB -0.087 32.110 32.600 -0.672 0.000 1.467 364 M HN -0.064 nan 8.290 nan 0.000 0.454 365 P HA 0.239 nan 4.420 nan 0.000 0.274 365 P C -0.828 176.368 177.300 -0.174 0.000 1.256 365 P CA -0.165 62.809 63.100 -0.210 0.000 0.795 365 P CB 0.926 32.522 31.700 -0.174 0.000 1.038 366 K N -0.208 120.112 120.400 -0.134 0.000 2.395 366 K HA 0.552 4.871 4.320 -0.001 0.000 0.247 366 K C 0.717 177.265 176.600 -0.087 0.000 0.973 366 K CA -0.148 56.073 56.287 -0.111 0.000 0.828 366 K CB 1.660 34.098 32.500 -0.103 0.000 1.272 366 K HN 0.859 nan 8.250 nan 0.000 0.439 367 G N 2.040 110.795 108.800 -0.075 0.000 2.574 367 G HA2 -0.400 3.559 3.960 -0.001 0.000 0.286 367 G HA3 -0.400 3.559 3.960 -0.001 0.000 0.286 367 G C 0.686 175.556 174.900 -0.050 0.000 1.212 367 G CA 0.879 45.943 45.100 -0.060 0.000 0.979 367 G HN 0.801 nan 8.290 nan 0.000 0.557 368 E N 0.564 120.740 120.200 -0.039 0.000 2.435 368 E HA 0.257 4.607 4.350 -0.001 0.000 0.195 368 E C 2.434 179.020 176.600 -0.024 0.000 1.029 368 E CA 0.664 57.050 56.400 -0.025 0.000 0.865 368 E CB -0.080 29.612 29.700 -0.014 0.000 0.833 368 E HN 0.529 nan 8.360 nan 0.000 0.510 369 L N 0.946 122.143 121.223 -0.043 0.000 2.465 369 L HA 0.035 4.374 4.340 -0.001 0.000 0.224 369 L C 1.117 177.959 176.870 -0.045 0.000 1.145 369 L CA 0.260 55.071 54.840 -0.050 0.000 0.834 369 L CB -0.234 41.777 42.059 -0.080 0.000 0.944 369 L HN 0.024 nan 8.230 nan 0.000 0.451 370 R N 0.047 120.520 120.500 -0.046 0.000 2.590 370 R HA 0.047 4.387 4.340 -0.001 0.000 0.274 370 R C 1.360 177.664 176.300 0.006 0.000 1.061 370 R CA -0.221 55.856 56.100 -0.040 0.000 1.081 370 R CB 0.707 30.980 30.300 -0.045 0.000 0.984 370 R HN 0.076 nan 8.270 nan 0.000 0.448 371 I N 1.455 122.040 120.570 0.025 0.000 2.151 371 I HA -0.264 3.905 4.170 -0.001 0.000 0.243 371 I C 2.222 178.412 176.117 0.122 0.000 1.080 371 I CA 1.923 63.272 61.300 0.081 0.000 1.339 371 I CB -0.471 37.589 38.000 0.100 0.000 1.039 371 I HN 0.889 nan 8.210 nan 0.000 0.409 372 G N -0.161 108.710 108.800 0.118 0.000 2.534 372 G HA2 0.018 3.977 3.960 -0.001 0.000 0.217 372 G HA3 0.018 3.977 3.960 -0.001 0.000 0.217 372 G C 1.602 176.541 174.900 0.065 0.000 1.128 372 G CA 0.704 45.881 45.100 0.128 0.000 0.784 372 G HN 0.505 nan 8.290 nan 0.000 0.542 373 A N -0.103 122.739 122.820 0.036 0.000 2.197 373 A HA 0.231 4.550 4.320 -0.001 0.000 0.210 373 A C 1.221 178.824 177.584 0.031 0.000 1.180 373 A CA -0.281 51.763 52.037 0.011 0.000 0.846 373 A CB -0.144 18.843 19.000 -0.020 0.000 0.884 373 A HN 0.268 nan 8.150 nan 0.000 0.487 374 N N 1.523 120.250 118.700 0.045 0.000 2.411 374 N HA 0.013 4.752 4.740 -0.001 0.000 0.261 374 N C -1.637 173.910 175.510 0.063 0.000 1.248 374 N CA -0.964 52.114 53.050 0.046 0.000 0.885 374 N CB 1.174 39.693 38.487 0.053 0.000 1.062 374 N HN 0.117 nan 8.380 nan 0.000 0.471 375 P HA -0.103 nan 4.420 nan 0.000 0.222 375 P C 0.573 177.909 177.300 0.060 0.000 1.147 375 P CA 0.903 64.037 63.100 0.057 0.000 0.790 375 P CB 0.367 32.092 31.700 0.041 0.000 0.780 376 N N 0.613 119.347 118.700 0.057 0.000 2.289 376 N HA -0.097 4.642 4.740 -0.001 0.000 0.184 376 N C 1.597 177.150 175.510 0.072 0.000 1.016 376 N CA 1.258 54.341 53.050 0.055 0.000 0.872 376 N CB -0.282 38.239 38.487 0.056 0.000 0.973 376 N HN 0.166 nan 8.380 nan 0.000 0.433 377 A N 0.210 123.090 122.820 0.100 0.000 2.238 377 A HA 0.037 4.357 4.320 -0.001 0.000 0.208 377 A C 0.805 178.492 177.584 0.173 0.000 1.177 377 A CA 0.307 52.426 52.037 0.138 0.000 0.804 377 A CB -0.002 19.094 19.000 0.160 0.000 0.823 377 A HN 0.124 nan 8.150 nan 0.000 0.482 378 N N -0.920 117.866 118.700 0.143 0.000 2.673 378 N HA 0.173 4.913 4.740 -0.001 0.000 0.265 378 N C 0.991 176.556 175.510 0.092 0.000 1.709 378 N CA 0.449 53.589 53.050 0.151 0.000 0.792 378 N CB -0.043 38.563 38.487 0.198 0.000 1.286 378 N HN 0.037 nan 8.380 nan 0.000 0.506 379 G N -0.293 108.547 108.800 0.067 0.000 2.479 379 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.220 379 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.220 379 G C 1.321 176.226 174.900 0.008 0.000 1.115 379 G CA 0.886 45.999 45.100 0.021 0.000 0.757 379 G HN 0.458 nan 8.290 nan 0.000 0.560 380 G N 0.615 109.430 108.800 0.025 0.000 2.479 380 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.220 380 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.220 380 G C 1.837 176.755 174.900 0.030 0.000 1.115 380 G CA 1.582 46.695 45.100 0.021 0.000 0.757 380 G HN 0.846 nan 8.290 nan 0.000 0.560 381 V N -1.747 118.192 119.914 0.041 0.000 3.041 381 V HA 0.183 4.303 4.120 -0.001 0.000 0.260 381 V C 2.329 178.444 176.094 0.034 0.000 1.105 381 V CA 1.037 63.363 62.300 0.043 0.000 1.125 381 V CB -0.224 31.629 31.823 0.051 0.000 0.730 381 V HN 0.343 nan 8.190 nan 0.000 0.479 382 I N -0.427 120.158 120.570 0.024 0.000 2.703 382 I HA 0.120 4.289 4.170 -0.001 0.000 0.259 382 I C 1.729 177.857 176.117 0.019 0.000 1.151 382 I CA 0.165 61.476 61.300 0.018 0.000 1.470 382 I CB 0.003 38.005 38.000 0.004 0.000 1.112 382 I HN 0.159 nan 8.210 nan 0.000 0.437 383 R N 2.980 123.481 120.500 0.002 0.000 2.458 383 R HA 0.012 4.351 4.340 -0.001 0.000 0.303 383 R C -0.798 175.553 176.300 0.085 0.000 1.013 383 R CA 0.366 56.471 56.100 0.008 0.000 1.026 383 R CB 0.178 30.450 30.300 -0.047 0.000 0.948 383 R HN 0.228 nan 8.270 nan 0.000 0.417 384 N N 2.518 121.314 118.700 0.159 0.000 2.459 384 N HA 0.179 4.918 4.740 -0.001 0.000 0.288 384 N C -1.010 174.627 175.510 0.212 0.000 1.186 384 N CA -0.580 52.562 53.050 0.152 0.000 0.917 384 N CB 0.951 39.502 38.487 0.107 0.000 1.219 384 N HN 0.509 nan 8.380 nan 0.000 0.525 385 D N 0.828 121.307 120.400 0.131 0.000 2.443 385 D HA 0.081 4.720 4.640 -0.001 0.000 0.239 385 D C 0.464 176.749 176.300 -0.025 0.000 1.136 385 D CA 0.189 54.248 54.000 0.097 0.000 0.879 385 D CB 0.919 41.763 40.800 0.072 0.000 1.195 385 D HN 0.244 nan 8.370 nan 0.000 0.443 386 L N 1.796 122.925 121.223 -0.158 0.000 2.453 386 L HA -0.006 4.333 4.340 -0.001 0.000 0.272 386 L C 0.812 177.613 176.870 -0.115 0.000 1.182 386 L CA -0.237 54.453 54.840 -0.250 0.000 0.858 386 L CB 0.223 42.082 42.059 -0.334 0.000 1.120 386 L HN 0.014 nan 8.230 nan 0.000 0.474 387 K N 4.544 124.882 120.400 -0.104 0.000 2.163 387 K HA 0.200 4.519 4.320 -0.001 0.000 0.267 387 K C -0.570 175.974 176.600 -0.094 0.000 1.098 387 K CA 0.479 56.725 56.287 -0.068 0.000 1.062 387 K CB -0.470 31.997 32.500 -0.054 0.000 1.033 387 K HN 0.358 nan 8.250 nan 0.000 0.396 388 L N 5.628 126.823 121.223 -0.048 0.000 2.349 388 L HA 0.314 4.653 4.340 -0.001 0.000 0.275 388 L C -1.500 175.405 176.870 0.059 0.000 1.115 388 L CA -1.966 52.861 54.840 -0.022 0.000 0.820 388 L CB 0.651 42.758 42.059 0.080 0.000 1.135 388 L HN 0.449 nan 8.230 nan 0.000 0.445 389 P HA 0.061 nan 4.420 nan 0.000 0.274 389 P C -0.858 176.614 177.300 0.288 0.000 1.256 389 P CA -0.650 62.567 63.100 0.195 0.000 0.795 389 P CB 0.499 32.359 31.700 0.267 0.000 1.038 390 N N 0.635 119.466 118.700 0.218 0.000 2.434 390 N HA -0.061 4.678 4.740 -0.001 0.000 0.268 390 N C 0.998 176.641 175.510 0.221 0.000 1.256 390 N CA 0.031 53.175 53.050 0.157 0.000 0.914 390 N CB -0.206 38.320 38.487 0.066 0.000 1.088 390 N HN 0.282 nan 8.380 nan 0.000 0.478 391 L N 3.752 125.070 121.223 0.158 0.000 2.127 391 L HA -0.150 4.189 4.340 -0.001 0.000 0.211 391 L C 1.942 178.865 176.870 0.089 0.000 1.089 391 L CA 1.636 56.537 54.840 0.101 0.000 0.757 391 L CB -0.417 41.624 42.059 -0.028 0.000 0.899 391 L HN 0.725 nan 8.230 nan 0.000 0.434 392 E N -1.518 118.695 120.200 0.021 0.000 2.418 392 E HA -0.193 4.157 4.350 -0.001 0.000 0.197 392 E C 1.135 177.674 176.600 -0.101 0.000 1.026 392 E CA 0.845 57.225 56.400 -0.033 0.000 0.862 392 E CB -0.519 29.155 29.700 -0.044 0.000 0.799 392 E HN 0.495 nan 8.360 nan 0.000 0.518 393 D N 0.183 120.475 120.400 -0.181 0.000 2.351 393 D HA -0.126 4.513 4.640 -0.001 0.000 0.216 393 D C 0.597 176.477 176.300 -0.700 0.000 0.968 393 D CA 0.915 54.633 54.000 -0.469 0.000 0.899 393 D CB -0.169 40.221 40.800 -0.683 0.000 0.907 393 D HN 0.414 nan 8.370 nan 0.000 0.514 394 Y N -0.254 120.024 120.300 -0.037 0.000 2.471 394 Y HA 0.200 4.749 4.550 -0.001 0.000 0.249 394 Y C 0.770 176.641 175.900 -0.048 0.000 1.116 394 Y CA -0.589 57.492 58.100 -0.032 0.000 1.240 394 Y CB 0.197 38.633 38.460 -0.041 0.000 1.251 394 Y HN -0.180 nan 8.280 nan 0.000 0.527 395 E N 1.660 121.868 120.200 0.012 0.000 2.452 395 E HA 0.091 4.440 4.350 -0.001 0.000 0.261 395 E C -0.449 176.133 176.600 -0.029 0.000 0.987 395 E CA -0.149 56.244 56.400 -0.011 0.000 0.926 395 E CB 0.789 30.463 29.700 -0.044 0.000 0.934 395 E HN -0.076 nan 8.360 nan 0.000 0.452 396 V N 7.167 127.072 119.914 -0.016 0.000 2.390 396 V HA -0.030 4.090 4.120 -0.001 0.000 0.260 396 V C 1.183 177.202 176.094 -0.125 0.000 1.043 396 V CA 0.173 62.449 62.300 -0.040 0.000 1.047 396 V CB 0.450 32.294 31.823 0.035 0.000 1.066 396 V HN 0.671 nan 8.190 nan 0.000 0.481 397 K N 3.282 123.574 120.400 -0.179 0.000 2.366 397 K HA -0.065 4.255 4.320 -0.001 0.000 0.198 397 K C 1.531 177.940 176.600 -0.318 0.000 1.044 397 K CA 0.520 56.675 56.287 -0.219 0.000 0.973 397 K CB 0.347 32.726 32.500 -0.201 0.000 0.767 397 K HN 0.621 nan 8.250 nan 0.000 0.475 398 E N 0.712 120.640 120.200 -0.453 0.000 2.268 398 E HA -0.081 4.268 4.350 -0.001 0.000 0.195 398 E C 1.836 178.159 176.600 -0.461 0.000 0.995 398 E CA 0.343 56.343 56.400 -0.667 0.000 0.836 398 E CB -0.108 28.573 29.700 -1.698 0.000 0.763 398 E HN -0.059 nan 8.360 nan 0.000 0.491 399 V N 0.656 120.386 119.914 -0.307 0.000 2.407 399 V HA -0.263 3.856 4.120 -0.001 0.000 0.248 399 V C 2.146 178.022 176.094 -0.363 0.000 1.055 399 V CA 1.858 63.999 62.300 -0.265 0.000 1.049 399 V CB -0.609 31.081 31.823 -0.222 0.000 0.662 399 V HN 0.374 nan 8.190 nan 0.000 0.455 400 A N -0.884 121.736 122.820 -0.333 0.000 1.930 400 A HA -0.149 4.170 4.320 -0.001 0.000 0.215 400 A C 2.205 179.581 177.584 -0.346 0.000 1.176 400 A CA 1.376 53.216 52.037 -0.328 0.000 0.632 400 A CB -0.335 18.511 19.000 -0.257 0.000 0.819 400 A HN 0.568 nan 8.150 nan 0.000 0.445 401 E N -1.470 118.484 120.200 -0.409 0.000 2.028 401 E HA -0.175 4.174 4.350 -0.001 0.000 0.191 401 E C 1.394 177.623 176.600 -0.619 0.000 0.988 401 E CA 1.580 57.631 56.400 -0.581 0.000 0.799 401 E CB -0.171 29.038 29.700 -0.819 0.000 0.755 401 E HN 0.796 nan 8.360 nan 0.000 0.447 402 Y N -1.145 118.967 120.300 -0.313 0.000 2.462 402 Y HA 0.310 4.859 4.550 -0.001 0.000 0.253 402 Y C 0.749 176.554 175.900 -0.159 0.000 1.095 402 Y CA 0.477 58.446 58.100 -0.219 0.000 1.283 402 Y CB 1.741 40.059 38.460 -0.236 0.000 1.138 402 Y HN 0.074 nan 8.280 nan 0.000 0.522 403 G N -0.348 108.388 108.800 -0.108 0.000 2.484 403 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.685 403 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.685 403 G C -1.307 173.470 174.900 -0.205 0.000 1.294 403 G CA -1.218 43.772 45.100 -0.183 0.000 0.879 403 G HN 0.134 nan 8.290 nan 0.000 0.646 404 H N 0.203 119.151 119.070 -0.203 0.000 3.125 404 H HA 0.333 4.888 4.556 -0.001 0.000 0.310 404 H C 1.618 176.988 175.328 0.069 0.000 0.980 404 H CA 2.214 58.117 56.048 -0.241 0.000 1.422 404 H CB 0.823 30.152 29.762 -0.722 0.000 1.432 404 H HN 2.199 nan 8.280 nan 0.000 0.577 405 G N 2.884 111.657 108.800 -0.044 0.000 2.163 405 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.213 405 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.213 405 G C 0.101 174.796 174.900 -0.342 0.000 0.991 405 G CA -0.067 44.749 45.100 -0.472 0.000 0.653 405 G HN 0.687 nan 8.290 nan 0.000 0.518 406 W N 1.255 122.361 121.300 -0.323 0.000 2.170 406 W HA 0.461 5.120 4.660 -0.001 0.000 0.342 406 W C 0.941 177.291 176.519 -0.283 0.000 1.294 406 W CA 2.259 59.446 57.345 -0.264 0.000 1.246 406 W CB 0.518 29.873 29.460 -0.175 0.000 1.156 406 W HN 1.618 nan 8.180 nan 0.000 0.572 407 G N 3.579 111.511 108.800 -1.446 0.000 2.757 407 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.638 407 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.638 407 G C -0.517 173.857 174.900 -0.877 0.000 1.344 407 G CA -0.276 43.693 45.100 -1.886 0.000 0.855 407 G HN 0.632 nan 8.290 nan 0.000 0.537 408 Q N -0.423 118.953 119.800 -0.707 0.000 2.141 408 Q HA 0.299 4.639 4.340 -0.001 0.000 0.295 408 Q C 0.691 176.547 176.000 -0.240 0.000 0.870 408 Q CA -0.130 55.456 55.803 -0.361 0.000 1.096 408 Q CB 0.576 29.147 28.738 -0.278 0.000 1.288 408 Q HN 0.574 nan 8.270 nan 0.000 0.418 409 L N 0.991 122.078 121.223 -0.227 0.000 2.467 409 L HA 0.117 4.456 4.340 -0.001 0.000 0.270 409 L C 0.616 177.468 176.870 -0.030 0.000 1.205 409 L CA 0.358 55.152 54.840 -0.077 0.000 0.828 409 L CB 0.469 42.538 42.059 0.017 0.000 1.101 409 L HN 0.041 nan 8.230 nan 0.000 0.479 410 E N 1.324 121.525 120.200 0.001 0.000 2.001 410 E HA 0.193 4.542 4.350 -0.001 0.000 0.279 410 E C 0.553 177.176 176.600 0.038 0.000 1.045 410 E CA -0.229 56.181 56.400 0.017 0.000 0.833 410 E CB 1.469 31.177 29.700 0.013 0.000 1.077 410 E HN 0.718 nan 8.360 nan 0.000 0.397 411 A N 3.024 125.875 122.820 0.052 0.000 1.908 411 A HA -0.233 4.087 4.320 -0.001 0.000 0.218 411 A C 2.251 179.874 177.584 0.065 0.000 1.181 411 A CA 2.272 54.351 52.037 0.069 0.000 0.627 411 A CB -0.883 18.172 19.000 0.092 0.000 0.818 411 A HN 0.682 nan 8.150 nan 0.000 0.445 412 T N -2.282 112.306 114.554 0.058 0.000 2.929 412 T HA -0.130 4.219 4.350 -0.001 0.000 0.271 412 T C 1.805 176.536 174.700 0.053 0.000 1.085 412 T CA 1.193 63.327 62.100 0.056 0.000 1.125 412 T CB -0.404 68.494 68.868 0.050 0.000 0.874 412 T HN 0.545 nan 8.240 nan 0.000 0.494 413 R N 0.780 121.308 120.500 0.047 0.000 2.127 413 R HA -0.061 4.278 4.340 -0.001 0.000 0.238 413 R C 2.678 179.017 176.300 0.065 0.000 1.134 413 R CA 1.814 57.941 56.100 0.045 0.000 0.975 413 R CB -0.771 29.555 30.300 0.042 0.000 0.865 413 R HN 0.454 nan 8.270 nan 0.000 0.447 414 T N 1.588 116.189 114.554 0.078 0.000 2.737 414 T HA -0.126 4.223 4.350 -0.001 0.000 0.265 414 T C 1.691 176.447 174.700 0.093 0.000 1.038 414 T CA 1.016 63.176 62.100 0.099 0.000 1.144 414 T CB -0.224 68.697 68.868 0.088 0.000 0.866 414 T HN 0.103 nan 8.240 nan 0.000 0.434 415 L N 1.668 122.946 121.223 0.091 0.000 2.079 415 L HA 0.063 4.403 4.340 -0.001 0.000 0.210 415 L C 2.457 179.400 176.870 0.121 0.000 1.081 415 L CA 1.969 56.893 54.840 0.140 0.000 0.752 415 L CB -1.198 40.933 42.059 0.120 0.000 0.896 415 L HN 0.282 nan 8.230 nan 0.000 0.433 416 G N -1.064 107.778 108.800 0.070 0.000 2.421 416 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.216 416 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.216 416 G C 1.605 176.508 174.900 0.005 0.000 1.171 416 G CA 0.879 45.993 45.100 0.024 0.000 0.775 416 G HN 0.648 nan 8.290 nan 0.000 0.543 417 A N 0.027 122.873 122.820 0.044 0.000 1.877 417 A HA -0.077 4.242 4.320 -0.001 0.000 0.216 417 A C 2.215 179.784 177.584 -0.025 0.000 1.186 417 A CA 1.718 53.805 52.037 0.083 0.000 0.620 417 A CB -0.838 18.296 19.000 0.223 0.000 0.822 417 A HN 0.528 nan 8.150 nan 0.000 0.443 418 Y N 0.849 120.913 120.300 -0.393 0.000 2.145 418 Y HA -0.222 4.328 4.550 -0.001 0.000 0.286 418 Y C 2.681 178.344 175.900 -0.394 0.000 1.145 418 Y CA 2.059 59.694 58.100 -0.775 0.000 1.148 418 Y CB -0.263 37.837 38.460 -0.600 0.000 0.981 418 Y HN 0.335 nan 8.280 nan 0.000 0.507 419 T N 0.915 115.304 114.554 -0.275 0.000 2.777 419 T HA -0.196 4.153 4.350 -0.001 0.000 0.266 419 T C 1.870 176.345 174.700 -0.374 0.000 1.040 419 T CA 1.400 63.266 62.100 -0.389 0.000 1.141 419 T CB -0.345 68.472 68.868 -0.084 0.000 0.868 419 T HN 0.345 nan 8.240 nan 0.000 0.444 420 R N 1.099 121.481 120.500 -0.196 0.000 2.103 420 R HA -0.175 4.165 4.340 -0.001 0.000 0.242 420 R C 1.500 177.701 176.300 -0.166 0.000 1.142 420 R CA 2.042 58.060 56.100 -0.137 0.000 0.960 420 R CB -0.278 29.988 30.300 -0.057 0.000 0.858 420 R HN 0.324 nan 8.270 nan 0.000 0.439 421 D N -0.039 120.255 120.400 -0.177 0.000 2.289 421 D HA -0.037 4.603 4.640 -0.001 0.000 0.207 421 D C 1.946 178.089 176.300 -0.262 0.000 0.966 421 D CA 0.657 54.581 54.000 -0.126 0.000 0.868 421 D CB -0.016 40.811 40.800 0.046 0.000 0.943 421 D HN 0.336 nan 8.370 nan 0.000 0.514 422 I N 0.922 121.191 120.570 -0.501 0.000 2.163 422 I HA -0.252 3.917 4.170 -0.001 0.000 0.243 422 I C 2.337 178.124 176.117 -0.550 0.000 1.085 422 I CA 0.850 61.749 61.300 -0.669 0.000 1.347 422 I CB -0.139 37.163 38.000 -1.162 0.000 1.044 422 I HN -0.070 nan 8.210 nan 0.000 0.408 423 I N 0.500 120.775 120.570 -0.492 0.000 2.127 423 I HA -0.352 3.817 4.170 -0.001 0.000 0.241 423 I C 2.638 178.685 176.117 -0.117 0.000 1.075 423 I CA 1.531 62.697 61.300 -0.223 0.000 1.334 423 I CB -0.477 37.473 38.000 -0.083 0.000 1.040 423 I HN 0.176 nan 8.210 nan 0.000 0.405 424 K N 0.793 121.129 120.400 -0.107 0.000 2.074 424 K HA -0.238 4.081 4.320 -0.001 0.000 0.209 424 K C 1.849 178.414 176.600 -0.058 0.000 1.048 424 K CA 1.920 58.172 56.287 -0.059 0.000 0.926 424 K CB -0.077 32.398 32.500 -0.042 0.000 0.713 424 K HN 0.267 nan 8.250 nan 0.000 0.444 425 N N 0.764 119.407 118.700 -0.095 0.000 2.331 425 N HA -0.061 4.678 4.740 -0.001 0.000 0.180 425 N C -0.061 175.405 175.510 -0.073 0.000 1.019 425 N CA 0.805 53.806 53.050 -0.081 0.000 0.881 425 N CB 0.122 38.543 38.487 -0.111 0.000 0.972 425 N HN 0.203 nan 8.380 nan 0.000 0.435 426 N N 0.949 119.596 118.700 -0.089 0.000 2.757 426 N HA 0.194 4.933 4.740 -0.001 0.000 0.296 426 N C -2.786 172.744 175.510 0.033 0.000 1.874 426 N CA -0.835 52.192 53.050 -0.039 0.000 0.885 426 N CB 1.810 40.248 38.487 -0.082 0.000 1.242 426 N HN 0.195 nan 8.380 nan 0.000 0.488 427 P HA 0.127 nan 4.420 nan 0.000 0.271 427 P C 0.404 177.766 177.300 0.103 0.000 1.218 427 P CA 0.097 63.233 63.100 0.061 0.000 0.780 427 P CB 0.874 32.599 31.700 0.040 0.000 0.901 428 R N 0.295 120.875 120.500 0.134 0.000 3.994 428 R HA -0.152 4.188 4.340 -0.001 0.000 0.403 428 R C 0.158 176.598 176.300 0.233 0.000 1.126 428 R CA 1.018 57.220 56.100 0.170 0.000 1.143 428 R CB -2.506 27.870 30.300 0.126 0.000 1.695 428 R HN 0.568 nan 8.270 nan 0.000 0.555 429 D N -1.333 119.225 120.400 0.263 0.000 2.514 429 D HA 0.210 4.849 4.640 -0.001 0.000 0.225 429 D C -0.551 176.023 176.300 0.456 0.000 1.159 429 D CA 0.050 54.227 54.000 0.296 0.000 0.823 429 D CB 0.507 41.443 40.800 0.227 0.000 1.097 429 D HN 0.030 nan 8.370 nan 0.000 0.519 430 F N 1.268 121.385 119.950 0.279 0.000 2.547 430 F HA 0.477 5.003 4.527 -0.001 0.000 0.316 430 F C -0.830 175.073 175.800 0.171 0.000 1.121 430 F CA -0.670 57.483 58.000 0.255 0.000 0.911 430 F CB 1.451 40.463 39.000 0.021 0.000 1.179 430 F HN -0.452 nan 8.300 nan 0.000 0.443 431 R N 5.726 126.075 120.500 -0.252 0.000 2.744 431 R HA 0.670 5.009 4.340 -0.001 0.000 0.279 431 R C -1.505 174.569 176.300 -0.377 0.000 0.977 431 R CA -1.019 54.862 56.100 -0.366 0.000 0.906 431 R CB 2.621 32.429 30.300 -0.820 0.000 1.197 431 R HN 0.621 nan 8.270 nan 0.000 0.463 432 I N 2.345 122.742 120.570 -0.289 0.000 2.412 432 I HA 0.411 4.581 4.170 -0.001 0.000 0.296 432 I C -0.845 175.027 176.117 -0.408 0.000 0.987 432 I CA -0.521 60.709 61.300 -0.117 0.000 1.180 432 I CB 1.124 39.176 38.000 0.087 0.000 1.340 432 I HN 0.329 nan 8.210 nan 0.000 0.455 433 F N 2.669 122.715 119.950 0.159 0.000 2.546 433 F HA 0.822 5.348 4.527 -0.001 0.000 0.320 433 F C 0.555 176.515 175.800 0.268 0.000 1.076 433 F CA -0.676 57.423 58.000 0.165 0.000 0.928 433 F CB 2.302 41.344 39.000 0.070 0.000 1.189 433 F HN 0.402 nan 8.300 nan 0.000 0.465 434 G N 1.468 110.506 108.800 0.397 0.000 2.759 434 G HA2 0.521 4.480 3.960 -0.001 0.000 0.297 434 G HA3 0.521 4.480 3.960 -0.001 0.000 0.297 434 G C -3.275 171.778 174.900 0.256 0.000 1.434 434 G CA -1.497 43.817 45.100 0.356 0.000 0.980 434 G HN 0.259 nan 8.290 nan 0.000 0.531 435 P HA 0.263 nan 4.420 nan 0.000 0.225 435 P C -0.187 177.154 177.300 0.068 0.000 1.830 435 P CA -0.015 63.160 63.100 0.125 0.000 1.051 435 P CB 0.710 32.484 31.700 0.124 0.000 1.929 436 D N 1.421 121.875 120.400 0.090 0.000 2.945 436 D HA -0.173 4.466 4.640 -0.001 0.000 0.225 436 D C 0.107 176.437 176.300 0.050 0.000 1.158 436 D CA 1.347 55.388 54.000 0.068 0.000 0.805 436 D CB -1.381 39.444 40.800 0.043 0.000 1.098 436 D HN 0.472 nan 8.370 nan 0.000 0.426 437 E N -2.252 117.982 120.200 0.058 0.000 2.676 437 E HA 0.135 4.485 4.350 -0.001 0.000 0.225 437 E C 1.413 178.083 176.600 0.116 0.000 0.944 437 E CA 0.384 56.806 56.400 0.037 0.000 1.156 437 E CB 0.395 30.006 29.700 -0.148 0.000 1.117 437 E HN 0.173 nan 8.360 nan 0.000 0.523 438 T N 0.952 115.590 114.554 0.140 0.000 2.665 438 T HA -0.235 4.114 4.350 -0.001 0.000 0.268 438 T C 2.002 176.749 174.700 0.079 0.000 1.035 438 T CA 1.695 63.874 62.100 0.133 0.000 1.151 438 T CB -0.100 68.877 68.868 0.181 0.000 0.862 438 T HN 0.271 nan 8.240 nan 0.000 0.438 439 A N 0.538 123.421 122.820 0.106 0.000 1.930 439 A HA 0.024 4.343 4.320 -0.001 0.000 0.215 439 A C 2.532 180.171 177.584 0.091 0.000 1.176 439 A CA 1.751 53.824 52.037 0.061 0.000 0.632 439 A CB -0.877 18.199 19.000 0.127 0.000 0.819 439 A HN 0.436 nan 8.150 nan 0.000 0.445 440 S N 0.309 116.096 115.700 0.145 0.000 2.399 440 S HA -0.144 4.326 4.470 -0.001 0.000 0.231 440 S C 1.576 176.281 174.600 0.175 0.000 1.022 440 S CA 1.499 59.816 58.200 0.194 0.000 0.983 440 S CB -0.478 62.913 63.200 0.320 0.000 0.803 440 S HN 0.612 nan 8.310 nan 0.000 0.480 441 N N 0.996 119.793 118.700 0.162 0.000 2.398 441 N HA 0.157 4.896 4.740 -0.001 0.000 0.188 441 N C -0.129 175.420 175.510 0.066 0.000 1.122 441 N CA 0.208 53.332 53.050 0.123 0.000 0.866 441 N CB -0.037 38.530 38.487 0.133 0.000 0.970 441 N HN 0.426 nan 8.380 nan 0.000 0.462 442 R N -0.507 120.020 120.500 0.045 0.000 3.515 442 R HA -0.111 4.228 4.340 -0.001 0.000 0.292 442 R C -0.173 176.114 176.300 -0.022 0.000 1.148 442 R CA 0.223 56.328 56.100 0.008 0.000 0.786 442 R CB -2.230 28.081 30.300 0.020 0.000 1.327 442 R HN 0.166 nan 8.270 nan 0.000 0.454 443 L N 1.158 122.353 121.223 -0.046 0.000 2.741 443 L HA 0.033 4.372 4.340 -0.001 0.000 0.237 443 L C 2.276 179.004 176.870 -0.238 0.000 1.178 443 L CA -0.175 54.620 54.840 -0.075 0.000 0.973 443 L CB 0.063 42.120 42.059 -0.003 0.000 1.255 443 L HN 0.218 nan 8.230 nan 0.000 0.498 444 Q N 1.036 120.617 119.800 -0.365 0.000 2.488 444 Q HA -0.075 4.265 4.340 -0.001 0.000 0.211 444 Q C 1.778 177.423 176.000 -0.590 0.000 0.967 444 Q CA 1.285 56.597 55.803 -0.819 0.000 0.926 444 Q CB -0.251 28.055 28.738 -0.720 0.000 0.992 444 Q HN 0.384 nan 8.270 nan 0.000 0.506 445 A N 1.077 123.731 122.820 -0.275 0.000 2.032 445 A HA -0.166 4.154 4.320 -0.001 0.000 0.221 445 A C 2.306 179.806 177.584 -0.140 0.000 1.165 445 A CA 1.679 53.626 52.037 -0.150 0.000 0.645 445 A CB -0.672 18.293 19.000 -0.059 0.000 0.807 445 A HN 0.442 nan 8.150 nan 0.000 0.453 446 S N -1.165 114.421 115.700 -0.190 0.000 2.474 446 S HA -0.080 4.389 4.470 -0.001 0.000 0.235 446 S C 1.439 176.077 174.600 0.063 0.000 0.997 446 S CA 0.865 59.028 58.200 -0.062 0.000 0.949 446 S CB -0.485 62.705 63.200 -0.017 0.000 0.766 446 S HN 0.721 nan 8.310 nan 0.000 0.517 447 Y N 1.944 122.183 120.300 -0.101 0.000 2.483 447 Y HA 0.006 4.556 4.550 -0.001 0.000 0.291 447 Y C 1.982 177.838 175.900 -0.073 0.000 1.143 447 Y CA -0.283 57.728 58.100 -0.148 0.000 1.289 447 Y CB -1.085 37.094 38.460 -0.469 0.000 0.983 447 Y HN 0.394 nan 8.280 nan 0.000 0.556 448 E N -0.196 120.048 120.200 0.074 0.000 2.204 448 E HA -0.104 4.246 4.350 -0.001 0.000 0.195 448 E C 1.772 178.407 176.600 0.059 0.000 0.990 448 E CA 1.639 58.077 56.400 0.064 0.000 0.821 448 E CB -0.028 29.692 29.700 0.033 0.000 0.750 448 E HN 0.454 nan 8.360 nan 0.000 0.477 449 V N -3.900 116.046 119.914 0.053 0.000 3.477 449 V HA 0.299 4.418 4.120 -0.001 0.000 0.297 449 V C 0.507 176.623 176.094 0.037 0.000 1.433 449 V CA 0.059 62.379 62.300 0.033 0.000 1.052 449 V CB 0.984 32.813 31.823 0.009 0.000 0.895 449 V HN 0.023 nan 8.190 nan 0.000 0.438 450 T N -0.100 114.495 114.554 0.069 0.000 2.653 450 T HA 0.441 4.790 4.350 -0.001 0.000 0.306 450 T C -1.887 172.863 174.700 0.083 0.000 1.426 450 T CA -0.447 61.690 62.100 0.061 0.000 1.008 450 T CB 1.870 70.778 68.868 0.067 0.000 1.692 450 T HN 0.386 nan 8.240 nan 0.000 0.483 451 N N 0.712 119.444 118.700 0.054 0.000 2.571 451 N HA 0.408 5.148 4.740 -0.001 0.000 0.273 451 N C -1.442 174.066 175.510 -0.004 0.000 1.340 451 N CA -0.754 52.299 53.050 0.005 0.000 0.789 451 N CB 1.956 40.481 38.487 0.064 0.000 1.514 451 N HN 0.469 nan 8.380 nan 0.000 0.499 452 K N 1.142 121.483 120.400 -0.098 0.000 2.379 452 K HA 0.019 4.339 4.320 -0.001 0.000 0.284 452 K C 0.129 176.789 176.600 0.100 0.000 1.044 452 K CA 0.044 56.319 56.287 -0.021 0.000 0.974 452 K CB 0.736 33.179 32.500 -0.095 0.000 0.962 452 K HN 0.387 nan 8.250 nan 0.000 0.474 453 Q N 3.711 123.577 119.800 0.110 0.000 2.293 453 Q HA 0.059 4.398 4.340 -0.001 0.000 0.263 453 Q C -1.529 174.619 176.000 0.247 0.000 1.002 453 Q CA -0.140 55.749 55.803 0.144 0.000 0.910 453 Q CB 0.664 29.433 28.738 0.052 0.000 1.185 453 Q HN 0.618 nan 8.270 nan 0.000 0.401 454 W N 5.225 126.546 121.300 0.035 0.000 3.132 454 W HA 0.263 4.922 4.660 -0.001 0.000 0.337 454 W C -1.720 174.814 176.519 0.025 0.000 1.082 454 W CA -0.550 56.787 57.345 -0.013 0.000 1.242 454 W CB 1.599 31.002 29.460 -0.095 0.000 1.354 454 W HN 0.754 nan 8.180 nan 0.000 0.461 455 D N 3.690 123.762 120.400 -0.547 0.000 2.673 455 D HA 0.318 4.957 4.640 -0.001 0.000 0.278 455 D C 0.781 176.742 176.300 -0.565 0.000 1.393 455 D CA 0.108 53.893 54.000 -0.359 0.000 0.805 455 D CB 1.080 41.753 40.800 -0.212 0.000 1.110 455 D HN 0.303 nan 8.370 nan 0.000 0.476 456 A N -0.091 122.065 122.820 -1.106 0.000 2.517 456 A HA 0.788 5.108 4.320 -0.001 0.000 0.280 456 A C 1.004 178.452 177.584 -0.227 0.000 1.353 456 A CA -0.316 51.305 52.037 -0.694 0.000 0.907 456 A CB -0.145 18.335 19.000 -0.867 0.000 1.495 456 A HN 0.162 nan 8.150 nan 0.000 0.506 457 G N -2.003 106.801 108.800 0.006 0.000 2.527 457 G HA2 0.471 4.431 3.960 -0.001 0.000 0.248 457 G HA3 0.471 4.431 3.960 -0.001 0.000 0.248 457 G C -1.008 173.957 174.900 0.108 0.000 1.231 457 G CA 0.023 45.193 45.100 0.117 0.000 0.838 457 G HN 0.402 nan 8.290 nan 0.000 0.570 458 Y N -0.147 120.233 120.300 0.132 0.000 2.446 458 Y HA 0.449 4.998 4.550 -0.001 0.000 0.338 458 Y C 1.230 177.149 175.900 0.032 0.000 1.055 458 Y CA -0.737 57.407 58.100 0.074 0.000 1.101 458 Y CB 2.054 40.534 38.460 0.033 0.000 1.221 458 Y HN 0.472 nan 8.280 nan 0.000 0.460 459 I N -2.397 118.247 120.570 0.124 0.000 4.706 459 I HA 0.468 4.637 4.170 -0.001 0.000 0.321 459 I C -0.042 176.107 176.117 0.053 0.000 1.249 459 I CA 0.027 61.369 61.300 0.070 0.000 1.321 459 I CB 1.315 39.333 38.000 0.031 0.000 1.342 459 I HN 0.361 nan 8.210 nan 0.000 0.463 460 S N 1.863 117.593 115.700 0.049 0.000 2.583 460 S HA 0.157 4.626 4.470 -0.001 0.000 0.294 460 S C -0.551 174.057 174.600 0.014 0.000 1.121 460 S CA -0.106 58.108 58.200 0.024 0.000 0.910 460 S CB 1.150 64.353 63.200 0.006 0.000 1.102 460 S HN 0.452 nan 8.310 nan 0.000 0.451 461 D N 2.827 123.231 120.400 0.006 0.000 2.378 461 D HA -0.061 4.578 4.640 -0.001 0.000 0.222 461 D C 0.885 177.170 176.300 -0.025 0.000 0.980 461 D CA 0.791 54.784 54.000 -0.011 0.000 0.907 461 D CB -0.014 40.776 40.800 -0.016 0.000 0.899 461 D HN 0.747 nan 8.370 nan 0.000 0.527 462 E N -0.499 119.690 120.200 -0.018 0.000 2.435 462 E HA 0.011 4.360 4.350 -0.001 0.000 0.195 462 E C 1.629 178.211 176.600 -0.030 0.000 1.029 462 E CA 0.632 57.019 56.400 -0.021 0.000 0.865 462 E CB 0.569 30.261 29.700 -0.013 0.000 0.833 462 E HN 0.436 nan 8.360 nan 0.000 0.510 463 V N -3.235 116.655 119.914 -0.040 0.000 3.368 463 V HA 0.145 4.265 4.120 -0.001 0.000 0.255 463 V C 0.023 176.063 176.094 -0.091 0.000 1.466 463 V CA -0.320 61.944 62.300 -0.059 0.000 1.095 463 V CB 0.473 32.258 31.823 -0.063 0.000 0.899 463 V HN -0.140 nan 8.190 nan 0.000 0.440 464 D N 2.918 123.272 120.400 -0.077 0.000 2.402 464 D HA 0.484 5.123 4.640 -0.001 0.000 0.235 464 D C -0.240 176.012 176.300 -0.079 0.000 1.226 464 D CA 0.572 54.521 54.000 -0.085 0.000 0.918 464 D CB 0.914 41.739 40.800 0.042 0.000 1.043 464 D HN 0.652 nan 8.370 nan 0.000 0.506 465 E N 0.703 120.828 120.200 -0.126 0.000 2.266 465 E HA 0.230 4.579 4.350 -0.001 0.000 0.268 465 E C -0.196 176.292 176.600 -0.186 0.000 0.879 465 E CA -0.807 55.455 56.400 -0.229 0.000 0.762 465 E CB 1.477 31.018 29.700 -0.265 0.000 1.199 465 E HN 0.328 nan 8.360 nan 0.000 0.422 466 H N 0.755 119.770 119.070 -0.093 0.000 2.791 466 H HA -0.191 4.364 4.556 -0.001 0.000 0.302 466 H C -0.633 174.567 175.328 -0.213 0.000 1.198 466 H CA 0.912 56.843 56.048 -0.195 0.000 1.145 466 H CB -1.276 28.233 29.762 -0.422 0.000 1.385 466 H HN 0.528 nan 8.280 nan 0.000 0.409 467 M N 0.042 119.664 119.600 0.036 0.000 2.464 467 M HA 0.452 4.932 4.480 -0.001 0.000 0.308 467 M C -0.067 176.424 176.300 0.318 0.000 1.127 467 M CA -0.332 55.046 55.300 0.130 0.000 0.913 467 M CB 3.312 35.958 32.600 0.076 0.000 1.689 467 M HN 0.300 nan 8.290 nan 0.000 0.445 468 H N 0.654 119.849 119.070 0.208 0.000 3.017 468 H HA 0.271 4.826 4.556 -0.001 0.000 0.346 468 H C 0.287 175.737 175.328 0.203 0.000 1.286 468 H CA -0.424 55.702 56.048 0.129 0.000 1.120 468 H CB 2.143 31.925 29.762 0.034 0.000 1.860 468 H HN 0.586 nan 8.280 nan 0.000 0.542 469 V N 0.450 120.204 119.914 -0.267 0.000 2.720 469 V HA 0.061 4.181 4.120 -0.001 0.000 0.256 469 V C 0.358 176.456 176.094 0.007 0.000 1.082 469 V CA 1.452 63.694 62.300 -0.096 0.000 1.101 469 V CB -0.426 31.268 31.823 -0.215 0.000 0.693 469 V HN 0.348 nan 8.190 nan 0.000 0.479 470 S N -0.515 115.249 115.700 0.106 0.000 2.538 470 S HA 0.855 5.324 4.470 -0.001 0.000 0.288 470 S C -0.064 174.649 174.600 0.188 0.000 1.108 470 S CA 0.012 58.296 58.200 0.141 0.000 0.971 470 S CB 1.700 64.991 63.200 0.152 0.000 1.041 470 S HN 1.064 nan 8.310 nan 0.000 0.483 471 G N 0.952 109.811 108.800 0.098 0.000 2.466 471 G HA2 0.392 4.351 3.960 -0.001 0.000 0.291 471 G HA3 0.392 4.351 3.960 -0.001 0.000 0.291 471 G C -1.027 173.877 174.900 0.005 0.000 1.460 471 G CA -0.561 44.580 45.100 0.068 0.000 0.791 471 G HN 0.386 nan 8.290 nan 0.000 0.505 472 Q N -0.813 118.986 119.800 -0.002 0.000 2.320 472 Q HA 0.241 4.580 4.340 -0.001 0.000 0.201 472 Q C 0.634 176.548 176.000 -0.142 0.000 0.910 472 Q CA 0.252 56.019 55.803 -0.060 0.000 0.946 472 Q CB 1.081 29.837 28.738 0.029 0.000 1.062 472 Q HN 0.299 nan 8.270 nan 0.000 0.503 473 V N 0.539 120.401 119.914 -0.087 0.000 2.555 473 V HA 0.513 4.632 4.120 -0.001 0.000 0.302 473 V C -0.230 175.802 176.094 -0.103 0.000 1.038 473 V CA -0.805 61.437 62.300 -0.097 0.000 0.887 473 V CB 2.356 34.248 31.823 0.116 0.000 0.991 473 V HN -0.227 nan 8.190 nan 0.000 0.434 474 V N 4.039 123.859 119.914 -0.157 0.000 2.638 474 V HA 0.552 4.671 4.120 -0.001 0.000 0.306 474 V C -0.573 175.630 176.094 0.182 0.000 1.052 474 V CA -0.567 61.754 62.300 0.035 0.000 0.885 474 V CB 2.120 33.999 31.823 0.092 0.000 0.999 474 V HN 0.970 nan 8.190 nan 0.000 0.424 475 E N 3.773 124.103 120.200 0.215 0.000 2.293 475 E HA 0.633 4.982 4.350 -0.001 0.000 0.270 475 E C -1.194 175.539 176.600 0.221 0.000 0.879 475 E CA -0.700 55.829 56.400 0.216 0.000 0.756 475 E CB 3.267 33.066 29.700 0.166 0.000 1.208 475 E HN 0.652 nan 8.360 nan 0.000 0.428 476 Q N 2.167 122.066 119.800 0.166 0.000 2.377 476 Q HA 0.242 4.582 4.340 -0.001 0.000 0.279 476 Q C -1.527 174.512 176.000 0.065 0.000 1.049 476 Q CA -0.929 54.949 55.803 0.124 0.000 0.825 476 Q CB 1.762 30.556 28.738 0.094 0.000 1.401 476 Q HN 0.404 nan 8.270 nan 0.000 0.404 477 L N 3.269 124.525 121.223 0.055 0.000 2.415 477 L HA 0.425 4.765 4.340 -0.001 0.000 0.269 477 L C -1.295 175.573 176.870 -0.003 0.000 1.244 477 L CA 0.964 55.818 54.840 0.024 0.000 1.113 477 L CB -0.302 41.770 42.059 0.022 0.000 1.352 477 L HN 0.544 nan 8.230 nan 0.000 0.433 478 S N 2.133 117.817 115.700 -0.026 0.000 2.511 478 S HA 0.271 4.740 4.470 -0.001 0.000 0.283 478 S C 0.621 175.145 174.600 -0.128 0.000 1.078 478 S CA -0.531 57.639 58.200 -0.050 0.000 0.994 478 S CB 0.543 63.706 63.200 -0.061 0.000 1.171 478 S HN 0.584 nan 8.310 nan 0.000 0.444 479 E N 2.332 122.460 120.200 -0.119 0.000 2.110 479 E HA -0.087 4.262 4.350 -0.001 0.000 0.193 479 E C 1.159 177.495 176.600 -0.439 0.000 0.988 479 E CA 1.927 58.209 56.400 -0.198 0.000 0.804 479 E CB -0.207 29.501 29.700 0.013 0.000 0.745 479 E HN 0.848 nan 8.360 nan 0.000 0.458 480 H N 0.186 119.119 119.070 -0.228 0.000 2.352 480 H HA -0.082 4.473 4.556 -0.001 0.000 0.299 480 H C 2.006 177.052 175.328 -0.470 0.000 1.097 480 H CA 1.547 57.424 56.048 -0.286 0.000 1.311 480 H CB 0.069 29.754 29.762 -0.129 0.000 1.377 480 H HN 0.085 nan 8.280 nan 0.000 0.504 481 Q N -0.245 119.308 119.800 -0.412 0.000 2.079 481 Q HA -0.110 4.229 4.340 -0.001 0.000 0.200 481 Q C 2.255 177.594 176.000 -1.101 0.000 0.974 481 Q CA 0.954 56.246 55.803 -0.852 0.000 0.840 481 Q CB -0.028 28.228 28.738 -0.803 0.000 0.898 481 Q HN 0.509 nan 8.270 nan 0.000 0.430 482 M N 0.350 119.463 119.600 -0.812 0.000 2.099 482 M HA -0.143 4.336 4.480 -0.001 0.000 0.262 482 M C 2.069 177.638 176.300 -1.218 0.000 1.067 482 M CA 1.393 56.180 55.300 -0.855 0.000 1.124 482 M CB -1.089 31.102 32.600 -0.681 0.000 1.353 482 M HN 0.136 nan 8.290 nan 0.000 0.410 483 E N 0.284 119.697 120.200 -1.311 0.000 2.077 483 E HA -0.096 4.253 4.350 -0.001 0.000 0.193 483 E C 2.055 178.275 176.600 -0.632 0.000 0.989 483 E CA 1.835 57.625 56.400 -1.016 0.000 0.800 483 E CB -0.607 28.697 29.700 -0.660 0.000 0.746 483 E HN 0.454 nan 8.360 nan 0.000 0.452 484 G N -0.396 108.070 108.800 -0.557 0.000 2.402 484 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.216 484 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.216 484 G C 1.539 176.367 174.900 -0.120 0.000 1.162 484 G CA 0.672 45.587 45.100 -0.309 0.000 0.777 484 G HN 0.354 nan 8.290 nan 0.000 0.539 485 F N -0.301 119.374 119.950 -0.459 0.000 2.134 485 F HA -0.055 4.471 4.527 -0.001 0.000 0.299 485 F C 2.491 177.904 175.800 -0.645 0.000 1.097 485 F CA 0.355 58.050 58.000 -0.508 0.000 1.264 485 F CB -0.052 38.487 39.000 -0.768 0.000 1.001 485 F HN 0.150 nan 8.300 nan 0.000 0.479 486 L N 0.721 121.499 121.223 -0.741 0.000 2.072 486 L HA -0.149 4.190 4.340 -0.001 0.000 0.205 486 L C 2.021 178.778 176.870 -0.189 0.000 1.079 486 L CA 1.744 56.292 54.840 -0.485 0.000 0.752 486 L CB -0.770 41.032 42.059 -0.428 0.000 0.906 486 L HN 0.033 nan 8.230 nan 0.000 0.436 487 E N -0.383 119.657 120.200 -0.268 0.000 2.097 487 E HA -0.254 4.096 4.350 -0.001 0.000 0.196 487 E C 2.086 178.542 176.600 -0.240 0.000 1.000 487 E CA 1.349 57.545 56.400 -0.339 0.000 0.804 487 E CB -0.274 29.195 29.700 -0.386 0.000 0.740 487 E HN 0.664 nan 8.360 nan 0.000 0.454 488 A N 0.016 122.760 122.820 -0.127 0.000 1.970 488 A HA -0.127 4.193 4.320 -0.001 0.000 0.216 488 A C 1.880 179.481 177.584 0.027 0.000 1.170 488 A CA 0.641 52.624 52.037 -0.090 0.000 0.645 488 A CB -0.453 18.562 19.000 0.025 0.000 0.816 488 A HN 0.311 nan 8.150 nan 0.000 0.447 489 Y N 0.991 121.255 120.300 -0.059 0.000 2.145 489 Y HA -0.192 4.358 4.550 -0.001 0.000 0.286 489 Y C 1.996 177.874 175.900 -0.037 0.000 1.145 489 Y CA 1.848 59.946 58.100 -0.003 0.000 1.148 489 Y CB -0.359 38.152 38.460 0.085 0.000 0.981 489 Y HN 0.245 nan 8.280 nan 0.000 0.507 490 L N -0.767 120.453 121.223 -0.006 0.000 2.012 490 L HA -0.281 4.059 4.340 -0.001 0.000 0.210 490 L C 2.426 179.234 176.870 -0.104 0.000 1.073 490 L CA 1.528 56.314 54.840 -0.091 0.000 0.748 490 L CB -0.982 41.059 42.059 -0.030 0.000 0.891 490 L HN 0.215 nan 8.230 nan 0.000 0.431 491 L N -0.251 120.914 121.223 -0.097 0.000 2.191 491 L HA -0.156 4.183 4.340 -0.001 0.000 0.212 491 L C 2.217 179.051 176.870 -0.059 0.000 1.103 491 L CA 1.608 56.397 54.840 -0.086 0.000 0.769 491 L CB -0.687 41.257 42.059 -0.191 0.000 0.908 491 L HN 0.460 nan 8.230 nan 0.000 0.438 492 T N -3.858 110.645 114.554 -0.085 0.000 3.163 492 T HA 0.395 4.744 4.350 -0.001 0.000 0.252 492 T C 1.176 175.807 174.700 -0.115 0.000 1.056 492 T CA 0.258 62.318 62.100 -0.067 0.000 0.947 492 T CB 0.607 69.451 68.868 -0.041 0.000 1.016 492 T HN 0.401 nan 8.240 nan 0.000 0.554 493 G N 0.921 109.623 108.800 -0.163 0.000 2.138 493 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.193 493 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.193 493 G C 0.051 174.766 174.900 -0.309 0.000 0.998 493 G CA -0.470 44.523 45.100 -0.178 0.000 0.668 493 G HN 0.592 nan 8.290 nan 0.000 0.516 494 R N -0.508 119.705 120.500 -0.479 0.000 3.024 494 R HA 0.909 5.249 4.340 -0.001 0.000 0.224 494 R C 0.300 176.259 176.300 -0.569 0.000 1.490 494 R CA -0.593 55.167 56.100 -0.567 0.000 1.057 494 R CB 0.667 30.271 30.300 -1.161 0.000 1.723 494 R HN 0.405 nan 8.270 nan 0.000 0.520 495 H N -1.878 117.136 119.070 -0.093 0.000 2.946 495 H HA 0.711 5.267 4.556 -0.001 0.000 0.365 495 H C -0.347 174.870 175.328 -0.185 0.000 1.197 495 H CA -0.702 55.357 56.048 0.018 0.000 1.131 495 H CB 2.160 32.017 29.762 0.159 0.000 1.849 495 H HN 0.730 nan 8.280 nan 0.000 0.555 496 G N -0.118 108.531 108.800 -0.252 0.000 2.356 496 G HA2 0.374 4.334 3.960 -0.001 0.000 0.281 496 G HA3 0.374 4.334 3.960 -0.001 0.000 0.281 496 G C -1.897 172.889 174.900 -0.189 0.000 1.246 496 G CA -0.403 44.161 45.100 -0.893 0.000 0.889 496 G HN 0.603 nan 8.290 nan 0.000 0.486 497 I N -0.191 120.400 120.570 0.036 0.000 2.908 497 I HA 0.659 4.828 4.170 -0.001 0.000 0.300 497 I C -1.560 174.833 176.117 0.460 0.000 1.385 497 I CA -1.123 60.375 61.300 0.331 0.000 1.004 497 I CB 1.991 40.263 38.000 0.454 0.000 1.309 497 I HN 0.968 nan 8.210 nan 0.000 0.449 498 W N 4.981 126.396 121.300 0.190 0.000 2.850 498 W HA 0.826 5.485 4.660 -0.001 0.000 0.349 498 W C -1.541 175.058 176.519 0.133 0.000 1.133 498 W CA -1.079 56.376 57.345 0.185 0.000 1.117 498 W CB 0.663 30.237 29.460 0.191 0.000 1.442 498 W HN 0.644 nan 8.180 nan 0.000 0.575 499 S N 0.980 116.750 115.700 0.118 0.000 2.570 499 S HA 0.740 5.209 4.470 -0.001 0.000 0.286 499 S C -1.289 173.203 174.600 -0.179 0.000 1.099 499 S CA -0.617 57.501 58.200 -0.137 0.000 0.913 499 S CB 2.028 65.243 63.200 0.025 0.000 1.085 499 S HN 0.788 nan 8.310 nan 0.000 0.480 500 S N 0.627 116.172 115.700 -0.258 0.000 2.550 500 S HA 0.581 5.051 4.470 -0.001 0.000 0.270 500 S C -1.696 172.939 174.600 0.058 0.000 1.145 500 S CA -0.661 57.459 58.200 -0.133 0.000 0.852 500 S CB 0.525 63.525 63.200 -0.333 0.000 1.119 500 S HN 0.591 nan 8.310 nan 0.000 0.465 501 Y N 2.572 122.867 120.300 -0.007 0.000 2.712 501 Y HA 0.074 4.624 4.550 -0.001 0.000 0.333 501 Y C 1.963 177.756 175.900 -0.179 0.000 1.225 501 Y CA 0.077 58.123 58.100 -0.089 0.000 1.499 501 Y CB 0.153 38.543 38.460 -0.117 0.000 1.288 501 Y HN 0.935 nan 8.280 nan 0.000 0.575 502 E N 1.375 121.556 120.200 -0.032 0.000 2.077 502 E HA -0.215 4.134 4.350 -0.001 0.000 0.193 502 E C 1.905 178.423 176.600 -0.136 0.000 0.989 502 E CA 1.717 58.068 56.400 -0.082 0.000 0.800 502 E CB 0.188 29.867 29.700 -0.035 0.000 0.746 502 E HN 0.756 nan 8.360 nan 0.000 0.452 503 S N -0.044 115.500 115.700 -0.261 0.000 2.399 503 S HA -0.142 4.327 4.470 -0.001 0.000 0.231 503 S C 1.468 176.053 174.600 -0.026 0.000 1.022 503 S CA 0.889 58.953 58.200 -0.226 0.000 0.983 503 S CB -0.463 62.462 63.200 -0.458 0.000 0.803 503 S HN 0.274 nan 8.310 nan 0.000 0.480 504 F N 1.426 121.416 119.950 0.066 0.000 2.773 504 F HA 0.403 4.929 4.527 -0.001 0.000 0.304 504 F C 1.907 177.730 175.800 0.039 0.000 1.129 504 F CA -1.385 56.647 58.000 0.053 0.000 1.378 504 F CB -0.952 38.065 39.000 0.030 0.000 1.095 504 F HN 0.045 nan 8.300 nan 0.000 0.565 505 V N -0.270 119.698 119.914 0.090 0.000 2.490 505 V HA -0.283 3.836 4.120 -0.001 0.000 0.250 505 V C 2.504 178.612 176.094 0.024 0.000 1.061 505 V CA 1.681 63.976 62.300 -0.008 0.000 1.064 505 V CB -0.723 31.002 31.823 -0.165 0.000 0.670 505 V HN 0.405 nan 8.190 nan 0.000 0.461 506 H N -0.605 118.519 119.070 0.089 0.000 2.489 506 H HA -0.092 4.463 4.556 -0.001 0.000 0.295 506 H C 2.326 177.694 175.328 0.065 0.000 1.082 506 H CA 1.539 57.633 56.048 0.077 0.000 1.295 506 H CB -0.113 29.697 29.762 0.079 0.000 1.380 506 H HN 0.325 nan 8.280 nan 0.000 0.548 507 V N 1.565 121.582 119.914 0.172 0.000 2.490 507 V HA -0.212 3.907 4.120 -0.001 0.000 0.250 507 V C 1.862 177.915 176.094 -0.070 0.000 1.061 507 V CA 1.705 64.033 62.300 0.046 0.000 1.064 507 V CB -0.331 31.473 31.823 -0.032 0.000 0.670 507 V HN 0.339 nan 8.190 nan 0.000 0.461 508 I N -3.710 116.838 120.570 -0.037 0.000 3.974 508 I HA 0.305 4.474 4.170 -0.001 0.000 0.334 508 I C 1.216 177.352 176.117 0.031 0.000 1.437 508 I CA -0.125 61.135 61.300 -0.066 0.000 1.113 508 I CB -0.425 37.513 38.000 -0.104 0.000 1.063 508 I HN -0.079 nan 8.210 nan 0.000 0.400 509 D N 2.053 122.500 120.400 0.078 0.000 2.170 509 D HA -0.258 4.381 4.640 -0.001 0.000 0.193 509 D C 2.342 178.695 176.300 0.089 0.000 1.004 509 D CA 2.385 56.440 54.000 0.092 0.000 0.860 509 D CB -0.090 40.799 40.800 0.148 0.000 0.931 509 D HN 0.620 nan 8.370 nan 0.000 0.448 510 S N -0.522 115.240 115.700 0.104 0.000 2.428 510 S HA -0.080 4.389 4.470 -0.001 0.000 0.230 510 S C 2.076 176.723 174.600 0.078 0.000 1.014 510 S CA 0.576 58.846 58.200 0.118 0.000 0.957 510 S CB -0.243 63.057 63.200 0.168 0.000 0.784 510 S HN 0.206 nan 8.310 nan 0.000 0.499 511 M N 0.875 120.464 119.600 -0.017 0.000 2.200 511 M HA 0.101 4.580 4.480 -0.001 0.000 0.265 511 M C 2.131 178.423 176.300 -0.013 0.000 1.066 511 M CA 1.170 56.375 55.300 -0.159 0.000 1.127 511 M CB -0.601 31.784 32.600 -0.358 0.000 1.379 511 M HN 0.311 nan 8.290 nan 0.000 0.420 512 L N 0.160 121.406 121.223 0.039 0.000 2.042 512 L HA -0.261 4.078 4.340 -0.001 0.000 0.210 512 L C 2.154 179.093 176.870 0.116 0.000 1.076 512 L CA 1.021 55.920 54.840 0.097 0.000 0.749 512 L CB -0.994 41.118 42.059 0.089 0.000 0.893 512 L HN 0.349 nan 8.230 nan 0.000 0.432 513 N N -0.402 118.358 118.700 0.099 0.000 2.104 513 N HA -0.183 4.556 4.740 -0.001 0.000 0.190 513 N C 1.933 177.511 175.510 0.114 0.000 1.024 513 N CA 1.132 54.244 53.050 0.103 0.000 0.853 513 N CB -0.225 38.320 38.487 0.097 0.000 1.008 513 N HN 0.357 nan 8.380 nan 0.000 0.424 514 Q N -0.267 119.607 119.800 0.122 0.000 2.083 514 Q HA -0.102 4.237 4.340 -0.001 0.000 0.198 514 Q C 1.882 177.987 176.000 0.176 0.000 0.969 514 Q CA 1.112 57.002 55.803 0.144 0.000 0.838 514 Q CB -0.689 28.143 28.738 0.158 0.000 0.900 514 Q HN 0.579 nan 8.270 nan 0.000 0.436 515 H N 1.040 120.151 119.070 0.068 0.000 2.389 515 H HA 0.026 4.581 4.556 -0.001 0.000 0.299 515 H C 1.836 177.247 175.328 0.138 0.000 1.081 515 H CA 1.640 57.728 56.048 0.066 0.000 1.345 515 H CB -0.002 29.756 29.762 -0.006 0.000 1.393 515 H HN 0.248 nan 8.280 nan 0.000 0.520 516 A N 0.900 123.778 122.820 0.097 0.000 1.892 516 A HA -0.240 4.079 4.320 -0.001 0.000 0.218 516 A C 2.289 179.906 177.584 0.055 0.000 1.188 516 A CA 2.051 54.129 52.037 0.068 0.000 0.631 516 A CB -0.505 18.554 19.000 0.098 0.000 0.822 516 A HN 0.480 nan 8.150 nan 0.000 0.447 517 K N -1.499 118.950 120.400 0.082 0.000 2.097 517 K HA -0.177 4.142 4.320 -0.001 0.000 0.206 517 K C 1.956 178.601 176.600 0.076 0.000 1.049 517 K CA 1.350 57.680 56.287 0.072 0.000 0.933 517 K CB -0.266 32.281 32.500 0.078 0.000 0.717 517 K HN 0.802 nan 8.250 nan 0.000 0.442 518 W N 1.745 122.980 121.300 -0.109 0.000 2.338 518 W HA -0.196 4.464 4.660 -0.001 0.000 0.304 518 W C 1.314 177.728 176.519 -0.174 0.000 1.212 518 W CA 1.362 58.621 57.345 -0.144 0.000 1.264 518 W CB -0.235 29.113 29.460 -0.187 0.000 1.142 518 W HN 0.038 nan 8.180 nan 0.000 0.512 519 L N 0.262 121.523 121.223 0.064 0.000 2.131 519 L HA -0.138 4.201 4.340 -0.001 0.000 0.206 519 L C 2.509 179.358 176.870 -0.034 0.000 1.087 519 L CA 1.188 56.029 54.840 0.002 0.000 0.767 519 L CB -0.879 41.166 42.059 -0.022 0.000 0.917 519 L HN -0.104 nan 8.230 nan 0.000 0.441 520 E N 0.568 120.760 120.200 -0.014 0.000 2.038 520 E HA -0.272 4.077 4.350 -0.001 0.000 0.195 520 E C 2.319 178.883 176.600 -0.060 0.000 1.000 520 E CA 1.424 57.817 56.400 -0.012 0.000 0.803 520 E CB -0.220 29.487 29.700 0.012 0.000 0.750 520 E HN 0.485 nan 8.360 nan 0.000 0.448 521 A N 0.715 123.471 122.820 -0.107 0.000 1.917 521 A HA -0.228 4.091 4.320 -0.001 0.000 0.219 521 A C 2.393 179.857 177.584 -0.200 0.000 1.182 521 A CA 2.203 54.146 52.037 -0.157 0.000 0.633 521 A CB -0.970 17.900 19.000 -0.216 0.000 0.819 521 A HN 0.226 nan 8.150 nan 0.000 0.448 522 T N -0.231 114.164 114.554 -0.265 0.000 2.777 522 T HA -0.097 4.252 4.350 -0.001 0.000 0.266 522 T C 1.956 176.548 174.700 -0.181 0.000 1.040 522 T CA 1.934 63.853 62.100 -0.301 0.000 1.141 522 T CB -0.629 68.043 68.868 -0.328 0.000 0.868 522 T HN 0.640 nan 8.240 nan 0.000 0.444 523 V N 0.255 120.110 119.914 -0.099 0.000 2.871 523 V HA 0.077 4.196 4.120 -0.001 0.000 0.256 523 V C 2.200 178.275 176.094 -0.031 0.000 1.082 523 V CA 0.977 63.248 62.300 -0.049 0.000 1.105 523 V CB -0.762 31.060 31.823 -0.002 0.000 0.713 523 V HN 0.275 nan 8.190 nan 0.000 0.473 524 R N 1.819 122.302 120.500 -0.028 0.000 2.090 524 R HA 0.021 4.360 4.340 -0.001 0.000 0.228 524 R C 1.784 178.080 176.300 -0.007 0.000 1.110 524 R CA 1.703 57.808 56.100 0.010 0.000 0.973 524 R CB -0.056 30.259 30.300 0.024 0.000 0.869 524 R HN 0.892 nan 8.270 nan 0.000 0.440 525 E N -0.720 119.450 120.200 -0.049 0.000 2.835 525 E HA 0.110 4.459 4.350 -0.001 0.000 0.183 525 E C -0.293 176.275 176.600 -0.053 0.000 0.934 525 E CA -0.110 56.279 56.400 -0.018 0.000 1.324 525 E CB 0.326 30.035 29.700 0.015 0.000 1.038 525 E HN 0.147 nan 8.360 nan 0.000 0.481 526 I N 2.077 122.529 120.570 -0.196 0.000 2.934 526 I HA 0.260 4.429 4.170 -0.001 0.000 0.312 526 I C -1.852 173.951 176.117 -0.524 0.000 1.342 526 I CA -2.000 59.026 61.300 -0.458 0.000 0.946 526 I CB 0.822 38.412 38.000 -0.684 0.000 2.034 526 I HN -0.078 nan 8.210 nan 0.000 0.604 527 P HA -0.145 nan 4.420 nan 0.000 0.225 527 P C 1.329 178.568 177.300 -0.102 0.000 1.148 527 P CA 1.346 64.371 63.100 -0.125 0.000 0.779 527 P CB -0.055 31.640 31.700 -0.008 0.000 0.780 528 W N 0.247 121.497 121.300 -0.083 0.000 2.905 528 W HA 0.191 4.850 4.660 -0.001 0.000 0.251 528 W C 0.587 177.068 176.519 -0.062 0.000 1.305 528 W CA -0.532 56.756 57.345 -0.095 0.000 1.465 528 W CB -1.030 28.330 29.460 -0.166 0.000 1.122 528 W HN -0.142 nan 8.180 nan 0.000 0.659 529 R N 3.259 123.420 120.500 -0.564 0.000 2.308 529 R HA 0.097 4.436 4.340 -0.001 0.000 0.325 529 R C 0.328 176.516 176.300 -0.186 0.000 1.161 529 R CA -0.264 55.550 56.100 -0.477 0.000 1.022 529 R CB 0.416 30.206 30.300 -0.849 0.000 1.091 529 R HN -0.336 nan 8.270 nan 0.000 0.497 530 K N 4.112 124.489 120.400 -0.039 0.000 2.219 530 K HA 0.199 4.519 4.320 -0.001 0.000 0.258 530 K C -2.318 174.282 176.600 0.001 0.000 1.008 530 K CA -2.186 54.097 56.287 -0.007 0.000 0.928 530 K CB 0.299 32.818 32.500 0.031 0.000 0.983 530 K HN 0.437 nan 8.250 nan 0.000 0.484 531 P HA 0.107 nan 4.420 nan 0.000 0.267 531 P C -0.219 177.105 177.300 0.040 0.000 1.205 531 P CA -0.051 63.068 63.100 0.032 0.000 0.765 531 P CB 0.262 31.989 31.700 0.044 0.000 0.828 532 I N -0.241 120.361 120.570 0.054 0.000 2.924 532 I HA 0.779 4.948 4.170 -0.001 0.000 0.316 532 I C 0.099 176.238 176.117 0.038 0.000 1.014 532 I CA -1.575 59.743 61.300 0.030 0.000 1.106 532 I CB 1.409 39.439 38.000 0.051 0.000 1.311 532 I HN 0.193 nan 8.210 nan 0.000 0.502 533 A N 2.778 125.581 122.820 -0.029 0.000 2.425 533 A HA 0.384 4.703 4.320 -0.001 0.000 0.242 533 A C 0.467 178.121 177.584 0.116 0.000 1.077 533 A CA -0.203 51.856 52.037 0.037 0.000 0.781 533 A CB -0.205 18.743 19.000 -0.086 0.000 1.020 533 A HN 0.805 nan 8.150 nan 0.000 0.494 534 S N 1.310 117.116 115.700 0.178 0.000 2.584 534 S HA 0.290 4.760 4.470 -0.001 0.000 0.270 534 S C 0.291 175.008 174.600 0.195 0.000 1.346 534 S CA -0.271 58.045 58.200 0.194 0.000 1.018 534 S CB 0.437 63.755 63.200 0.198 0.000 0.899 534 S HN 0.701 nan 8.310 nan 0.000 0.542 535 M N 3.877 123.592 119.600 0.192 0.000 2.069 535 M HA 0.256 4.736 4.480 -0.001 0.000 0.349 535 M C -1.270 175.147 176.300 0.195 0.000 1.194 535 M CA -0.407 54.992 55.300 0.166 0.000 1.081 535 M CB -0.530 32.128 32.600 0.096 0.000 1.500 535 M HN 0.464 nan 8.290 nan 0.000 0.438 536 N N 5.416 124.250 118.700 0.222 0.000 2.419 536 N HA 0.402 5.141 4.740 -0.001 0.000 0.277 536 N C -1.255 174.331 175.510 0.126 0.000 1.006 536 N CA -0.493 52.660 53.050 0.172 0.000 0.923 536 N CB 2.178 40.781 38.487 0.193 0.000 1.140 536 N HN 0.572 nan 8.380 nan 0.000 0.488 537 L N 3.296 124.515 121.223 -0.007 0.000 2.342 537 L HA 0.418 4.757 4.340 -0.001 0.000 0.276 537 L C -1.181 175.563 176.870 -0.211 0.000 0.997 537 L CA -0.943 53.753 54.840 -0.240 0.000 0.838 537 L CB 1.179 43.036 42.059 -0.338 0.000 1.224 537 L HN 0.374 nan 8.230 nan 0.000 0.416 538 L N 6.650 127.755 121.223 -0.195 0.000 2.385 538 L HA 0.395 4.734 4.340 -0.001 0.000 0.281 538 L C -0.774 175.993 176.870 -0.171 0.000 1.106 538 L CA 0.365 55.134 54.840 -0.119 0.000 0.856 538 L CB 0.835 42.877 42.059 -0.030 0.000 1.186 538 L HN 0.439 nan 8.230 nan 0.000 0.453 539 V N 6.001 125.837 119.914 -0.129 0.000 2.304 539 V HA 0.515 4.634 4.120 -0.001 0.000 0.269 539 V C 0.365 176.453 176.094 -0.011 0.000 1.036 539 V CA 0.066 62.300 62.300 -0.110 0.000 0.840 539 V CB 0.382 32.130 31.823 -0.125 0.000 1.036 539 V HN 0.965 nan 8.190 nan 0.000 0.466 540 S N 2.720 118.431 115.700 0.019 0.000 2.971 540 S HA 0.533 5.002 4.470 -0.001 0.000 0.320 540 S C 0.409 175.012 174.600 0.005 0.000 1.111 540 S CA 0.027 58.255 58.200 0.047 0.000 0.870 540 S CB 1.754 64.979 63.200 0.041 0.000 1.331 540 S HN 0.830 nan 8.310 nan 0.000 0.635 541 S N 1.836 117.472 115.700 -0.106 0.000 3.410 541 S HA -0.169 4.300 4.470 -0.001 0.000 0.369 541 S C -0.052 174.398 174.600 -0.249 0.000 0.961 541 S CA 1.409 59.444 58.200 -0.274 0.000 1.248 541 S CB -2.127 60.791 63.200 -0.469 0.000 0.914 541 S HN 0.900 nan 8.310 nan 0.000 0.497 542 H N -1.720 117.312 119.070 -0.062 0.000 2.309 542 H HA 0.607 5.162 4.556 -0.001 0.000 0.341 542 H C 1.578 176.785 175.328 -0.202 0.000 1.677 542 H CA -0.248 55.760 56.048 -0.067 0.000 1.440 542 H CB -0.427 29.420 29.762 0.143 0.000 1.693 542 H HN 0.046 nan 8.280 nan 0.000 0.608 543 V N -0.469 119.373 119.914 -0.120 0.000 2.407 543 V HA -0.182 3.937 4.120 -0.001 0.000 0.248 543 V C 1.295 177.076 176.094 -0.521 0.000 1.055 543 V CA 1.648 63.581 62.300 -0.612 0.000 1.049 543 V CB -0.944 30.123 31.823 -1.259 0.000 0.662 543 V HN 0.767 nan 8.190 nan 0.000 0.455 544 W N -0.239 121.134 121.300 0.121 0.000 2.595 544 W HA 0.132 4.791 4.660 -0.001 0.000 0.257 544 W C 1.413 177.985 176.519 0.087 0.000 1.267 544 W CA -0.192 57.213 57.345 0.101 0.000 1.300 544 W CB 0.091 29.644 29.460 0.155 0.000 1.120 544 W HN 0.009 nan 8.180 nan 0.000 0.618 545 R N 0.708 121.307 120.500 0.165 0.000 2.795 545 R HA 0.157 4.496 4.340 -0.001 0.000 0.320 545 R C -0.132 176.088 176.300 -0.133 0.000 1.223 545 R CA -0.120 55.978 56.100 -0.002 0.000 1.305 545 R CB 0.080 30.329 30.300 -0.085 0.000 1.318 545 R HN 0.039 nan 8.270 nan 0.000 0.636 546 Q N 1.331 121.059 119.800 -0.120 0.000 2.835 546 Q HA 0.100 4.439 4.340 -0.001 0.000 0.235 546 Q C 0.001 175.903 176.000 -0.163 0.000 1.313 546 Q CA 0.047 55.740 55.803 -0.184 0.000 1.053 546 Q CB 0.728 29.368 28.738 -0.163 0.000 1.443 546 Q HN 0.188 nan 8.270 nan 0.000 0.576 547 D N -0.069 120.194 120.400 -0.228 0.000 2.091 547 D HA -0.121 4.519 4.640 -0.001 0.000 0.199 547 D C 1.068 177.304 176.300 -0.107 0.000 0.980 547 D CA 1.152 55.038 54.000 -0.190 0.000 0.831 547 D CB 0.290 40.908 40.800 -0.303 0.000 0.987 547 D HN 0.497 nan 8.370 nan 0.000 0.460 548 H N 0.417 119.450 119.070 -0.062 0.000 2.559 548 H HA 0.113 4.668 4.556 -0.001 0.000 0.273 548 H C 1.274 176.541 175.328 -0.103 0.000 1.000 548 H CA 0.496 56.511 56.048 -0.054 0.000 1.195 548 H CB 0.186 29.931 29.762 -0.029 0.000 1.368 548 H HN 0.218 nan 8.280 nan 0.000 0.592 549 N N -0.464 118.173 118.700 -0.105 0.000 2.905 549 N HA 0.231 4.971 4.740 -0.001 0.000 0.237 549 N C 1.109 176.515 175.510 -0.173 0.000 1.017 549 N CA 1.058 53.929 53.050 -0.300 0.000 1.127 549 N CB 1.386 39.352 38.487 -0.869 0.000 1.608 549 N HN 0.371 nan 8.380 nan 0.000 0.522 550 G N 0.822 109.576 108.800 -0.076 0.000 2.331 550 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.479 550 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.479 550 G C -0.043 174.980 174.900 0.204 0.000 1.262 550 G CA -0.166 44.983 45.100 0.082 0.000 1.029 550 G HN 0.110 nan 8.290 nan 0.000 0.487 551 F N 2.005 122.000 119.950 0.075 0.000 2.095 551 F HA -0.074 4.453 4.527 -0.001 0.000 0.298 551 F C 3.189 179.069 175.800 0.134 0.000 1.104 551 F CA 2.955 61.011 58.000 0.094 0.000 1.232 551 F CB -0.699 38.354 39.000 0.088 0.000 0.987 551 F HN 0.869 nan 8.300 nan 0.000 0.475 552 S N -0.933 114.907 115.700 0.234 0.000 2.428 552 S HA -0.314 4.155 4.470 -0.001 0.000 0.240 552 S C 1.464 176.162 174.600 0.163 0.000 1.036 552 S CA 2.040 60.356 58.200 0.193 0.000 1.009 552 S CB -1.077 62.341 63.200 0.364 0.000 0.803 552 S HN 0.612 nan 8.310 nan 0.000 0.486 553 H N 0.829 119.882 119.070 -0.028 0.000 2.549 553 H HA 0.438 4.993 4.556 -0.001 0.000 0.279 553 H C -0.025 175.130 175.328 -0.289 0.000 1.018 553 H CA -0.167 55.767 56.048 -0.190 0.000 1.175 553 H CB 0.093 29.760 29.762 -0.159 0.000 1.485 553 H HN 0.553 nan 8.280 nan 0.000 0.543 554 Q N 1.137 120.840 119.800 -0.162 0.000 2.509 554 Q HA 0.236 4.576 4.340 -0.001 0.000 0.230 554 Q C -0.871 174.878 176.000 -0.418 0.000 1.089 554 Q CA -0.276 55.314 55.803 -0.356 0.000 0.901 554 Q CB 1.111 29.694 28.738 -0.259 0.000 1.208 554 Q HN 0.157 nan 8.270 nan 0.000 0.529 555 D N 2.872 123.044 120.400 -0.380 0.000 2.318 555 D HA 0.096 4.736 4.640 -0.001 0.000 0.233 555 D C -2.382 173.873 176.300 -0.075 0.000 1.348 555 D CA -1.349 52.568 54.000 -0.138 0.000 0.983 555 D CB 1.728 42.564 40.800 0.060 0.000 1.416 555 D HN 0.182 nan 8.370 nan 0.000 0.558 556 P HA 0.170 nan 4.420 nan 0.000 0.257 556 P C 1.200 178.594 177.300 0.156 0.000 1.325 556 P CA -0.025 63.002 63.100 -0.121 0.000 0.850 556 P CB 0.222 31.682 31.700 -0.401 0.000 1.324 557 G N 0.605 109.680 108.800 0.458 0.000 2.625 557 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.214 557 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.214 557 G C 1.378 176.427 174.900 0.249 0.000 1.132 557 G CA 0.183 45.613 45.100 0.550 0.000 0.782 557 G HN 0.144 nan 8.290 nan 0.000 0.538 558 V N 1.971 121.834 119.914 -0.085 0.000 2.439 558 V HA -0.283 3.837 4.120 -0.001 0.000 0.253 558 V C 3.296 179.403 176.094 0.021 0.000 1.074 558 V CA 2.434 64.648 62.300 -0.143 0.000 1.076 558 V CB -1.472 30.241 31.823 -0.182 0.000 0.664 558 V HN 0.660 nan 8.190 nan 0.000 0.461 559 T N -0.720 113.898 114.554 0.106 0.000 2.652 559 T HA -0.251 4.098 4.350 -0.001 0.000 0.267 559 T C 1.914 176.718 174.700 0.173 0.000 1.039 559 T CA 2.015 64.212 62.100 0.161 0.000 1.153 559 T CB -0.858 68.201 68.868 0.319 0.000 0.863 559 T HN 0.547 nan 8.240 nan 0.000 0.428 560 S N 1.353 117.189 115.700 0.226 0.000 2.400 560 S HA -0.056 4.413 4.470 -0.001 0.000 0.232 560 S C 2.193 176.869 174.600 0.128 0.000 1.025 560 S CA 1.036 59.349 58.200 0.189 0.000 0.993 560 S CB -0.826 62.489 63.200 0.190 0.000 0.808 560 S HN 0.387 nan 8.310 nan 0.000 0.478 561 V N 1.978 121.963 119.914 0.118 0.000 2.307 561 V HA -0.086 4.033 4.120 -0.001 0.000 0.245 561 V C 2.229 178.366 176.094 0.072 0.000 1.045 561 V CA 1.498 63.854 62.300 0.094 0.000 1.024 561 V CB -0.625 31.251 31.823 0.088 0.000 0.651 561 V HN 0.424 nan 8.190 nan 0.000 0.449 562 L N -0.891 120.362 121.223 0.051 0.000 2.141 562 L HA -0.126 4.214 4.340 -0.001 0.000 0.209 562 L C 2.334 179.209 176.870 0.008 0.000 1.094 562 L CA 0.579 55.436 54.840 0.028 0.000 0.763 562 L CB -0.509 41.551 42.059 0.002 0.000 0.908 562 L HN 0.281 nan 8.230 nan 0.000 0.437 563 L N 0.163 121.393 121.223 0.012 0.000 2.189 563 L HA -0.214 4.125 4.340 -0.001 0.000 0.214 563 L C 1.780 178.603 176.870 -0.079 0.000 1.097 563 L CA 1.516 56.332 54.840 -0.040 0.000 0.764 563 L CB -1.205 40.857 42.059 0.006 0.000 0.900 563 L HN 0.334 nan 8.230 nan 0.000 0.436 564 N N -0.321 118.399 118.700 0.034 0.000 2.515 564 N HA -0.050 4.690 4.740 -0.001 0.000 0.191 564 N C 0.639 176.278 175.510 0.216 0.000 1.182 564 N CA 0.378 53.517 53.050 0.147 0.000 0.879 564 N CB 0.126 38.708 38.487 0.158 0.000 0.984 564 N HN 0.185 nan 8.380 nan 0.000 0.453 565 K N -0.210 120.230 120.400 0.066 0.000 2.676 565 K HA 0.274 4.593 4.320 -0.001 0.000 0.205 565 K C -0.658 175.939 176.600 -0.005 0.000 1.084 565 K CA -0.173 56.184 56.287 0.116 0.000 1.057 565 K CB -0.006 32.552 32.500 0.096 0.000 0.791 565 K HN -0.031 nan 8.250 nan 0.000 0.484 566 C N 1.660 120.774 119.300 -0.310 0.000 2.717 566 C HA 0.540 4.999 4.460 -0.001 0.000 0.306 566 C C -0.489 174.130 174.990 -0.619 0.000 1.225 566 C CA -0.742 58.059 59.018 -0.362 0.000 1.658 566 C CB -1.596 25.956 27.740 -0.313 0.000 1.714 566 C HN 0.191 nan 8.230 nan 0.000 0.463 567 F N -0.567 119.401 119.950 0.030 0.000 2.603 567 F HA 0.489 5.015 4.527 -0.001 0.000 0.317 567 F C 0.914 176.761 175.800 0.079 0.000 1.066 567 F CA -0.649 57.380 58.000 0.048 0.000 0.941 567 F CB 0.657 39.684 39.000 0.046 0.000 1.291 567 F HN 0.488 nan 8.300 nan 0.000 0.472 568 H N 0.956 120.124 119.070 0.163 0.000 3.211 568 H HA -0.233 4.323 4.556 -0.001 0.000 0.240 568 H C 0.478 175.763 175.328 -0.073 0.000 1.148 568 H CA 0.788 56.866 56.048 0.051 0.000 1.160 568 H CB -1.219 28.578 29.762 0.059 0.000 1.232 568 H HN 0.651 nan 8.280 nan 0.000 0.321 569 N N -0.223 118.353 118.700 -0.206 0.000 2.714 569 N HA -0.201 4.538 4.740 -0.001 0.000 0.250 569 N C 0.349 175.490 175.510 -0.616 0.000 1.117 569 N CA 1.258 53.948 53.050 -0.599 0.000 0.719 569 N CB -0.942 37.335 38.487 -0.350 0.000 1.081 569 N HN 0.675 nan 8.380 nan 0.000 0.557 570 D N 0.080 120.314 120.400 -0.276 0.000 2.144 570 D HA -0.118 4.521 4.640 -0.001 0.000 0.199 570 D C 0.382 176.624 176.300 -0.096 0.000 0.984 570 D CA 1.083 55.021 54.000 -0.103 0.000 0.834 570 D CB -0.258 40.561 40.800 0.031 0.000 0.955 570 D HN 0.497 nan 8.370 nan 0.000 0.465 571 H N -1.009 118.092 119.070 0.051 0.000 2.692 571 H HA -0.103 4.452 4.556 -0.001 0.000 0.316 571 H C 1.052 176.409 175.328 0.049 0.000 1.176 571 H CA 0.736 56.808 56.048 0.041 0.000 1.142 571 H CB -2.002 27.786 29.762 0.044 0.000 1.475 571 H HN 0.201 nan 8.280 nan 0.000 0.423 572 V N -2.505 117.485 119.914 0.126 0.000 3.542 572 V HA 0.298 4.418 4.120 -0.001 0.000 0.296 572 V C 0.891 177.043 176.094 0.097 0.000 1.364 572 V CA 0.119 62.483 62.300 0.107 0.000 1.118 572 V CB 0.666 32.534 31.823 0.076 0.000 0.972 572 V HN 0.182 nan 8.190 nan 0.000 0.430 573 I N 1.983 122.601 120.570 0.080 0.000 2.436 573 I HA 0.700 4.869 4.170 -0.001 0.000 0.289 573 I C 0.453 176.561 176.117 -0.015 0.000 1.010 573 I CA -0.142 61.181 61.300 0.037 0.000 1.098 573 I CB 1.355 39.360 38.000 0.008 0.000 1.266 573 I HN 0.234 nan 8.210 nan 0.000 0.434 574 G N 6.984 115.765 108.800 -0.033 0.000 2.343 574 G HA2 0.744 4.704 3.960 -0.001 0.000 0.319 574 G HA3 0.744 4.704 3.960 -0.001 0.000 0.319 574 G C -0.702 173.944 174.900 -0.423 0.000 1.126 574 G CA -0.361 44.585 45.100 -0.256 0.000 0.889 574 G HN 0.499 nan 8.290 nan 0.000 0.457 575 I N 2.106 122.243 120.570 -0.721 0.000 2.448 575 I HA 0.288 4.458 4.170 -0.001 0.000 0.281 575 I C -1.328 174.361 176.117 -0.714 0.000 1.027 575 I CA -0.639 60.337 61.300 -0.541 0.000 1.111 575 I CB 1.358 39.177 38.000 -0.301 0.000 1.236 575 I HN 0.340 nan 8.210 nan 0.000 0.452 576 Y N 5.250 125.323 120.300 -0.378 0.000 2.425 576 Y HA 0.545 5.094 4.550 -0.001 0.000 0.344 576 Y C -0.606 174.981 175.900 -0.520 0.000 0.969 576 Y CA -0.926 56.987 58.100 -0.312 0.000 1.052 576 Y CB 1.696 40.078 38.460 -0.129 0.000 1.215 576 Y HN 0.279 nan 8.280 nan 0.000 0.451 577 F N 1.898 121.956 119.950 0.179 0.000 2.361 577 F HA 0.603 5.129 4.527 -0.001 0.000 0.364 577 F C 0.367 176.230 175.800 0.106 0.000 1.117 577 F CA -1.086 56.959 58.000 0.075 0.000 1.071 577 F CB 1.165 40.198 39.000 0.054 0.000 1.188 577 F HN 0.587 nan 8.300 nan 0.000 0.464 578 A N 2.876 125.826 122.820 0.217 0.000 2.437 578 A HA 0.318 4.638 4.320 -0.001 0.000 0.303 578 A C 1.202 178.925 177.584 0.232 0.000 1.324 578 A CA -0.299 51.848 52.037 0.183 0.000 0.983 578 A CB -0.285 18.786 19.000 0.119 0.000 1.142 578 A HN 0.876 nan 8.150 nan 0.000 0.541 579 T N 1.573 116.289 114.554 0.271 0.000 2.759 579 T HA -0.070 4.279 4.350 -0.001 0.000 0.269 579 T C 0.537 175.477 174.700 0.401 0.000 1.042 579 T CA 2.051 64.356 62.100 0.342 0.000 1.140 579 T CB -0.385 68.735 68.868 0.421 0.000 0.864 579 T HN 0.968 nan 8.240 nan 0.000 0.455 580 D N -1.927 118.657 120.400 0.307 0.000 2.970 580 D HA 0.578 5.217 4.640 -0.001 0.000 0.344 580 D C 0.863 177.257 176.300 0.157 0.000 1.365 580 D CA -0.155 53.987 54.000 0.236 0.000 0.910 580 D CB 0.158 41.097 40.800 0.231 0.000 1.445 580 D HN -0.105 nan 8.370 nan 0.000 0.532 581 A N -0.425 122.465 122.820 0.117 0.000 1.933 581 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 581 A C 1.652 179.276 177.584 0.067 0.000 1.175 581 A CA 1.589 53.678 52.037 0.087 0.000 0.628 581 A CB -0.948 18.102 19.000 0.084 0.000 0.814 581 A HN 0.490 nan 8.150 nan 0.000 0.444 582 N N -0.911 117.835 118.700 0.076 0.000 2.171 582 N HA -0.110 4.629 4.740 -0.001 0.000 0.184 582 N C 1.633 177.177 175.510 0.055 0.000 1.021 582 N CA 1.666 54.746 53.050 0.050 0.000 0.854 582 N CB -0.442 38.074 38.487 0.048 0.000 0.994 582 N HN 0.438 nan 8.380 nan 0.000 0.426 583 M N 1.093 120.758 119.600 0.109 0.000 2.108 583 M HA -0.060 4.419 4.480 -0.001 0.000 0.261 583 M C 1.810 178.139 176.300 0.049 0.000 1.066 583 M CA 1.044 56.411 55.300 0.112 0.000 1.107 583 M CB -0.728 31.987 32.600 0.192 0.000 1.356 583 M HN 0.114 nan 8.290 nan 0.000 0.406 584 L N -0.182 121.073 121.223 0.053 0.000 2.079 584 L HA -0.175 4.164 4.340 -0.001 0.000 0.210 584 L C 2.089 178.930 176.870 -0.047 0.000 1.081 584 L CA 1.887 56.736 54.840 0.014 0.000 0.752 584 L CB -0.843 41.241 42.059 0.043 0.000 0.896 584 L HN 0.446 nan 8.230 nan 0.000 0.433 585 L N -1.036 120.145 121.223 -0.069 0.000 2.056 585 L HA -0.170 4.169 4.340 -0.001 0.000 0.207 585 L C 2.664 179.434 176.870 -0.167 0.000 1.078 585 L CA 1.157 55.886 54.840 -0.186 0.000 0.749 585 L CB -0.927 41.010 42.059 -0.203 0.000 0.901 585 L HN 0.365 nan 8.230 nan 0.000 0.433 586 A N 0.479 123.243 122.820 -0.094 0.000 1.883 586 A HA -0.205 4.114 4.320 -0.001 0.000 0.217 586 A C 2.209 179.716 177.584 -0.128 0.000 1.186 586 A CA 1.702 53.693 52.037 -0.077 0.000 0.624 586 A CB -0.720 18.266 19.000 -0.024 0.000 0.822 586 A HN 0.339 nan 8.150 nan 0.000 0.444 587 I N -0.251 120.215 120.570 -0.173 0.000 2.142 587 I HA -0.301 3.869 4.170 -0.001 0.000 0.240 587 I C 3.012 178.939 176.117 -0.316 0.000 1.078 587 I CA 1.197 62.288 61.300 -0.347 0.000 1.343 587 I CB -0.451 37.348 38.000 -0.335 0.000 1.046 587 I HN 0.360 nan 8.210 nan 0.000 0.405 588 A N 0.213 122.898 122.820 -0.225 0.000 1.908 588 A HA -0.288 4.032 4.320 -0.001 0.000 0.218 588 A C 2.353 179.833 177.584 -0.174 0.000 1.181 588 A CA 2.122 53.990 52.037 -0.281 0.000 0.627 588 A CB -0.707 18.238 19.000 -0.092 0.000 0.818 588 A HN 0.562 nan 8.150 nan 0.000 0.445 589 E N -0.144 120.066 120.200 0.016 0.000 2.072 589 E HA -0.231 4.119 4.350 -0.001 0.000 0.191 589 E C 2.078 178.736 176.600 0.097 0.000 0.985 589 E CA 1.404 57.911 56.400 0.178 0.000 0.801 589 E CB -0.178 29.587 29.700 0.109 0.000 0.750 589 E HN 0.633 nan 8.360 nan 0.000 0.452 590 K N 0.185 120.572 120.400 -0.021 0.000 2.032 590 K HA -0.164 4.156 4.320 -0.001 0.000 0.209 590 K C 2.185 178.783 176.600 -0.004 0.000 1.048 590 K CA 1.792 58.063 56.287 -0.026 0.000 0.927 590 K CB -0.222 32.212 32.500 -0.110 0.000 0.712 590 K HN 0.241 nan 8.250 nan 0.000 0.441 591 C N 0.257 119.498 119.300 -0.098 0.000 2.432 591 C HA -0.093 4.367 4.460 -0.001 0.000 0.277 591 C C 2.452 177.514 174.990 0.120 0.000 1.249 591 C CA 0.316 59.314 59.018 -0.034 0.000 1.725 591 C CB -1.076 26.568 27.740 -0.160 0.000 2.028 591 C HN 0.501 nan 8.230 nan 0.000 0.477 592 Y N 1.653 122.043 120.300 0.151 0.000 2.403 592 Y HA -0.093 4.456 4.550 -0.001 0.000 0.291 592 Y C 2.349 178.349 175.900 0.167 0.000 1.143 592 Y CA 1.000 59.210 58.100 0.184 0.000 1.257 592 Y CB -0.668 37.883 38.460 0.152 0.000 0.984 592 Y HN 0.464 nan 8.280 nan 0.000 0.550 593 K N -0.085 120.483 120.400 0.279 0.000 2.356 593 K HA 0.081 4.401 4.320 -0.001 0.000 0.195 593 K C 1.104 177.815 176.600 0.184 0.000 1.037 593 K CA 0.557 56.968 56.287 0.206 0.000 1.014 593 K CB 0.092 32.682 32.500 0.151 0.000 0.815 593 K HN 0.190 nan 8.250 nan 0.000 0.507 594 S N 1.317 117.124 115.700 0.178 0.000 2.608 594 S HA 0.182 4.652 4.470 -0.001 0.000 0.261 594 S C 0.282 174.984 174.600 0.169 0.000 1.314 594 S CA -0.505 57.788 58.200 0.155 0.000 0.992 594 S CB 0.996 64.286 63.200 0.150 0.000 0.935 594 S HN 0.226 nan 8.310 nan 0.000 0.564 595 T N -1.542 113.098 114.554 0.142 0.000 2.896 595 T HA 0.575 4.924 4.350 -0.001 0.000 0.297 595 T C -0.489 174.285 174.700 0.122 0.000 1.108 595 T CA -0.999 61.179 62.100 0.130 0.000 1.004 595 T CB 0.825 69.757 68.868 0.106 0.000 1.159 595 T HN 0.612 nan 8.240 nan 0.000 0.499 596 N N 0.359 119.130 118.700 0.118 0.000 2.725 596 N HA -0.145 4.595 4.740 -0.001 0.000 0.249 596 N C -0.667 174.916 175.510 0.121 0.000 1.103 596 N CA 1.041 54.156 53.050 0.109 0.000 0.707 596 N CB -1.022 37.512 38.487 0.078 0.000 1.043 596 N HN 0.745 nan 8.380 nan 0.000 0.553 597 K N -0.143 120.348 120.400 0.151 0.000 2.400 597 K HA 0.587 4.906 4.320 -0.001 0.000 0.246 597 K C 0.012 176.726 176.600 0.191 0.000 0.995 597 K CA -0.800 55.580 56.287 0.155 0.000 0.840 597 K CB 1.975 34.568 32.500 0.155 0.000 1.293 597 K HN -0.058 nan 8.250 nan 0.000 0.445 598 I N 2.133 122.809 120.570 0.177 0.000 2.339 598 I HA 0.193 4.362 4.170 -0.001 0.000 0.290 598 I C -0.615 175.578 176.117 0.127 0.000 0.994 598 I CA -0.704 60.701 61.300 0.176 0.000 1.191 598 I CB 1.073 39.177 38.000 0.174 0.000 1.343 598 I HN 0.316 nan 8.210 nan 0.000 0.458 599 N N 5.915 124.694 118.700 0.132 0.000 2.443 599 N HA 0.482 5.221 4.740 -0.001 0.000 0.269 599 N C -0.695 174.860 175.510 0.075 0.000 0.985 599 N CA -0.434 52.698 53.050 0.136 0.000 0.921 599 N CB 2.315 40.924 38.487 0.203 0.000 1.195 599 N HN 0.592 nan 8.380 nan 0.000 0.492 600 A N 3.265 126.095 122.820 0.016 0.000 2.269 600 A HA 0.532 4.852 4.320 -0.001 0.000 0.302 600 A C 0.135 177.697 177.584 -0.036 0.000 1.266 600 A CA -0.470 51.533 52.037 -0.056 0.000 0.894 600 A CB -0.126 18.805 19.000 -0.115 0.000 1.147 600 A HN 0.683 nan 8.150 nan 0.000 0.537 601 I N 4.188 124.731 120.570 -0.045 0.000 2.371 601 I HA 0.232 4.401 4.170 -0.001 0.000 0.282 601 I C -0.727 175.345 176.117 -0.075 0.000 1.031 601 I CA -0.154 61.129 61.300 -0.028 0.000 1.180 601 I CB 0.965 38.946 38.000 -0.031 0.000 1.336 601 I HN 0.507 nan 8.210 nan 0.000 0.467 602 I N 6.140 126.629 120.570 -0.134 0.000 2.337 602 I HA 0.504 4.673 4.170 -0.001 0.000 0.291 602 I C 0.397 176.513 176.117 -0.001 0.000 1.046 602 I CA 0.286 61.506 61.300 -0.133 0.000 1.324 602 I CB 0.807 38.620 38.000 -0.312 0.000 1.409 602 I HN 0.611 nan 8.210 nan 0.000 0.494 603 A N 4.805 127.673 122.820 0.080 0.000 2.488 603 A HA 0.773 5.093 4.320 -0.001 0.000 0.298 603 A C -0.158 177.556 177.584 0.217 0.000 1.044 603 A CA -0.592 51.531 52.037 0.143 0.000 0.693 603 A CB 1.162 20.215 19.000 0.088 0.000 1.272 603 A HN 0.706 nan 8.150 nan 0.000 0.402 604 G N 0.235 109.187 108.800 0.254 0.000 2.432 604 G HA2 0.445 4.404 3.960 -0.001 0.000 0.257 604 G HA3 0.445 4.404 3.960 -0.001 0.000 0.257 604 G C 0.473 175.399 174.900 0.043 0.000 1.238 604 G CA -0.012 45.164 45.100 0.128 0.000 0.838 604 G HN 0.995 nan 8.290 nan 0.000 0.547 605 K N 0.334 120.711 120.400 -0.039 0.000 2.358 605 K HA 0.122 4.441 4.320 -0.001 0.000 0.197 605 K C 0.907 177.493 176.600 -0.023 0.000 1.025 605 K CA -0.310 55.967 56.287 -0.016 0.000 1.104 605 K CB 0.314 32.804 32.500 -0.016 0.000 0.855 605 K HN 0.506 nan 8.250 nan 0.000 0.531 606 Q N 1.586 121.365 119.800 -0.035 0.000 2.312 606 Q HA 0.294 4.633 4.340 -0.001 0.000 0.236 606 Q C -2.528 173.479 176.000 0.012 0.000 0.965 606 Q CA -2.247 53.547 55.803 -0.014 0.000 0.894 606 Q CB 0.161 28.897 28.738 -0.004 0.000 1.225 606 Q HN -0.114 nan 8.270 nan 0.000 0.478 607 P HA 0.226 nan 4.420 nan 0.000 0.265 607 P C -1.334 175.963 177.300 -0.004 0.000 1.193 607 P CA 0.449 63.539 63.100 -0.017 0.000 0.765 607 P CB 0.585 32.267 31.700 -0.030 0.000 0.823 608 A N 2.280 125.077 122.820 -0.038 0.000 2.610 608 A HA 0.716 5.035 4.320 -0.001 0.000 0.291 608 A C -0.848 176.649 177.584 -0.145 0.000 1.086 608 A CA -0.496 51.527 52.037 -0.024 0.000 0.677 608 A CB 0.842 19.886 19.000 0.073 0.000 1.278 608 A HN 0.513 nan 8.150 nan 0.000 0.414 609 A N 0.229 122.916 122.820 -0.221 0.000 2.448 609 A HA 0.561 4.881 4.320 -0.001 0.000 0.239 609 A C 0.423 177.697 177.584 -0.517 0.000 1.080 609 A CA 0.704 52.429 52.037 -0.521 0.000 0.779 609 A CB -0.344 18.096 19.000 -0.934 0.000 1.026 609 A HN 1.092 nan 8.150 nan 0.000 0.499 610 T N 1.421 115.715 114.554 -0.434 0.000 2.758 610 T HA 0.318 4.668 4.350 -0.001 0.000 0.285 610 T C 0.269 174.744 174.700 -0.374 0.000 0.981 610 T CA -0.093 61.866 62.100 -0.234 0.000 0.965 610 T CB 0.562 69.462 68.868 0.053 0.000 0.927 610 T HN 0.725 nan 8.240 nan 0.000 0.448 611 W N 2.217 123.583 121.300 0.111 0.000 2.574 611 W HA 0.365 5.024 4.660 -0.001 0.000 0.282 611 W C 0.407 176.890 176.519 -0.060 0.000 1.197 611 W CA -0.461 56.911 57.345 0.046 0.000 1.376 611 W CB 0.275 29.811 29.460 0.127 0.000 1.091 611 W HN 0.326 nan 8.180 nan 0.000 0.569 612 L N 0.642 121.974 121.223 0.182 0.000 2.333 612 L HA 0.450 4.789 4.340 -0.001 0.000 0.269 612 L C 0.766 177.648 176.870 0.020 0.000 1.010 612 L CA -1.030 53.858 54.840 0.080 0.000 0.818 612 L CB 1.565 43.702 42.059 0.128 0.000 1.306 612 L HN -0.229 nan 8.230 nan 0.000 0.430 613 T N -1.529 113.005 114.554 -0.032 0.000 2.813 613 T HA 0.116 4.465 4.350 -0.001 0.000 0.297 613 T C 0.981 175.677 174.700 -0.006 0.000 1.036 613 T CA -0.542 61.527 62.100 -0.053 0.000 1.044 613 T CB 0.981 69.796 68.868 -0.088 0.000 0.993 613 T HN 0.459 nan 8.240 nan 0.000 0.535 614 L N 0.787 122.000 121.223 -0.018 0.000 2.012 614 L HA -0.053 4.286 4.340 -0.001 0.000 0.210 614 L C 2.075 178.950 176.870 0.009 0.000 1.073 614 L CA 2.007 56.844 54.840 -0.004 0.000 0.748 614 L CB -1.161 40.885 42.059 -0.021 0.000 0.891 614 L HN 0.746 nan 8.230 nan 0.000 0.431 615 D N -0.487 119.913 120.400 0.000 0.000 2.117 615 D HA -0.184 4.455 4.640 -0.001 0.000 0.197 615 D C 2.142 178.465 176.300 0.039 0.000 0.987 615 D CA 1.439 55.447 54.000 0.013 0.000 0.829 615 D CB 0.002 40.802 40.800 0.000 0.000 0.961 615 D HN 0.523 nan 8.370 nan 0.000 0.460 616 E N 0.468 120.697 120.200 0.048 0.000 2.106 616 E HA -0.074 4.275 4.350 -0.001 0.000 0.192 616 E C 2.111 178.783 176.600 0.120 0.000 0.984 616 E CA 0.879 57.333 56.400 0.090 0.000 0.806 616 E CB -0.045 29.714 29.700 0.098 0.000 0.750 616 E HN 0.189 nan 8.360 nan 0.000 0.458 617 A N 1.807 124.692 122.820 0.108 0.000 1.883 617 A HA -0.246 4.073 4.320 -0.001 0.000 0.217 617 A C 2.076 179.721 177.584 0.102 0.000 1.186 617 A CA 1.520 53.634 52.037 0.129 0.000 0.624 617 A CB -0.463 18.597 19.000 0.100 0.000 0.822 617 A HN 0.091 nan 8.150 nan 0.000 0.444 618 R N -0.612 119.928 120.500 0.067 0.000 2.083 618 R HA -0.132 4.207 4.340 -0.001 0.000 0.237 618 R C 2.524 178.865 176.300 0.070 0.000 1.137 618 R CA 1.330 57.463 56.100 0.054 0.000 0.951 618 R CB -0.609 29.712 30.300 0.035 0.000 0.851 618 R HN 0.529 nan 8.270 nan 0.000 0.434 619 A N 1.374 124.241 122.820 0.078 0.000 1.877 619 A HA -0.248 4.072 4.320 -0.001 0.000 0.216 619 A C 2.119 179.763 177.584 0.100 0.000 1.186 619 A CA 1.695 53.781 52.037 0.082 0.000 0.620 619 A CB -0.497 18.552 19.000 0.083 0.000 0.822 619 A HN 0.480 nan 8.150 nan 0.000 0.443 620 E N -0.613 119.667 120.200 0.135 0.000 2.031 620 E HA -0.208 4.141 4.350 -0.001 0.000 0.193 620 E C 1.937 178.618 176.600 0.135 0.000 0.994 620 E CA 1.355 57.847 56.400 0.153 0.000 0.800 620 E CB -0.285 29.559 29.700 0.239 0.000 0.752 620 E HN 0.348 nan 8.360 nan 0.000 0.447 621 L N 1.917 123.220 121.223 0.133 0.000 2.051 621 L HA -0.258 4.081 4.340 -0.001 0.000 0.214 621 L C 2.321 179.260 176.870 0.114 0.000 1.076 621 L CA 2.544 57.458 54.840 0.124 0.000 0.758 621 L CB -0.666 41.438 42.059 0.075 0.000 0.890 621 L HN 0.323 nan 8.230 nan 0.000 0.433 622 E N -1.231 119.023 120.200 0.090 0.000 2.153 622 E HA -0.208 4.142 4.350 -0.001 0.000 0.194 622 E C 1.706 178.354 176.600 0.081 0.000 0.988 622 E CA 1.116 57.562 56.400 0.077 0.000 0.811 622 E CB 0.111 29.848 29.700 0.062 0.000 0.746 622 E HN 0.357 nan 8.360 nan 0.000 0.466 623 K N -1.238 119.213 120.400 0.086 0.000 2.284 623 K HA 0.166 4.486 4.320 -0.001 0.000 0.198 623 K C 1.550 178.214 176.600 0.107 0.000 1.048 623 K CA 0.888 57.226 56.287 0.085 0.000 0.987 623 K CB 0.747 33.289 32.500 0.070 0.000 0.800 623 K HN 0.313 nan 8.250 nan 0.000 0.486 624 G N 0.880 109.756 108.800 0.126 0.000 2.234 624 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.235 624 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.235 624 G C 0.173 175.163 174.900 0.151 0.000 0.997 624 G CA 0.189 45.386 45.100 0.161 0.000 0.623 624 G HN 0.667 nan 8.290 nan 0.000 0.514 625 A N -0.873 122.006 122.820 0.098 0.000 2.574 625 A HA 1.087 5.407 4.320 -0.001 0.000 0.297 625 A C -0.356 177.197 177.584 -0.051 0.000 1.062 625 A CA 0.332 52.383 52.037 0.023 0.000 0.686 625 A CB 1.372 20.391 19.000 0.031 0.000 1.285 625 A HN 2.201 nan 8.150 nan 0.000 0.403 626 A N 0.350 123.092 122.820 -0.130 0.000 2.549 626 A HA 0.876 5.195 4.320 -0.001 0.000 0.297 626 A C -0.021 177.412 177.584 -0.252 0.000 1.061 626 A CA -0.000 51.974 52.037 -0.106 0.000 0.690 626 A CB 1.074 20.131 19.000 0.094 0.000 1.287 626 A HN 2.546 nan 8.150 nan 0.000 0.402 627 A N 0.896 123.589 122.820 -0.212 0.000 2.477 627 A HA 0.456 4.775 4.320 -0.001 0.000 0.246 627 A C -0.839 176.719 177.584 -0.044 0.000 1.078 627 A CA 0.158 52.059 52.037 -0.227 0.000 0.770 627 A CB -0.233 18.659 19.000 -0.180 0.000 1.011 627 A HN 0.770 nan 8.150 nan 0.000 0.494 628 W N 2.440 123.449 121.300 -0.486 0.000 2.289 628 W HA 0.304 4.963 4.660 -0.001 0.000 0.342 628 W C 0.079 176.140 176.519 -0.763 0.000 0.958 628 W CA -1.150 55.704 57.345 -0.818 0.000 1.492 628 W CB 0.500 29.235 29.460 -1.207 0.000 1.336 628 W HN 0.818 nan 8.180 nan 0.000 0.371 629 D N 1.303 121.535 120.400 -0.280 0.000 2.117 629 D HA -0.200 4.439 4.640 -0.001 0.000 0.197 629 D C 2.137 178.402 176.300 -0.059 0.000 0.987 629 D CA 1.496 55.428 54.000 -0.114 0.000 0.829 629 D CB -0.232 40.573 40.800 0.008 0.000 0.961 629 D HN 0.576 nan 8.370 nan 0.000 0.460 630 W N 0.534 121.833 121.300 -0.002 0.000 2.825 630 W HA 0.295 4.954 4.660 -0.001 0.000 0.243 630 W C 1.154 177.720 176.519 0.078 0.000 1.293 630 W CA 0.555 57.906 57.345 0.011 0.000 1.403 630 W CB -0.516 28.908 29.460 -0.060 0.000 1.134 630 W HN -0.098 nan 8.180 nan 0.000 0.666 631 A N 0.671 123.355 122.820 -0.227 0.000 2.343 631 A HA 0.248 4.567 4.320 -0.001 0.000 0.223 631 A C 0.868 178.523 177.584 0.120 0.000 1.214 631 A CA -0.016 52.018 52.037 -0.006 0.000 0.900 631 A CB -0.346 18.395 19.000 -0.432 0.000 0.942 631 A HN 0.033 nan 8.150 nan 0.000 0.507 632 S N 0.258 115.944 115.700 -0.024 0.000 2.554 632 S HA 0.351 4.821 4.470 -0.001 0.000 0.278 632 S C 1.412 175.869 174.600 -0.237 0.000 1.242 632 S CA 0.194 58.334 58.200 -0.100 0.000 1.051 632 S CB 1.499 64.627 63.200 -0.119 0.000 0.986 632 S HN 0.556 nan 8.310 nan 0.000 0.502 633 T N -0.465 113.721 114.554 -0.614 0.000 3.051 633 T HA 0.298 4.647 4.350 -0.001 0.000 0.255 633 T C 0.741 175.237 174.700 -0.341 0.000 1.085 633 T CA 0.168 61.965 62.100 -0.505 0.000 1.109 633 T CB -0.033 68.384 68.868 -0.751 0.000 0.921 633 T HN 0.618 nan 8.240 nan 0.000 0.488 634 A N 2.113 124.733 122.820 -0.334 0.000 2.388 634 A HA 0.504 4.823 4.320 -0.001 0.000 0.257 634 A C 1.029 178.541 177.584 -0.120 0.000 1.095 634 A CA -0.744 51.184 52.037 -0.181 0.000 0.791 634 A CB 0.485 19.399 19.000 -0.143 0.000 1.029 634 A HN 0.589 nan 8.150 nan 0.000 0.489 635 K N 1.258 121.609 120.400 -0.082 0.000 2.358 635 K HA 0.215 4.534 4.320 -0.001 0.000 0.197 635 K C -0.141 176.432 176.600 -0.045 0.000 1.025 635 K CA -0.031 56.222 56.287 -0.057 0.000 1.104 635 K CB 0.312 32.787 32.500 -0.041 0.000 0.855 635 K HN 0.551 nan 8.250 nan 0.000 0.531 636 N N 0.465 119.138 118.700 -0.046 0.000 2.416 636 N HA 0.142 4.882 4.740 -0.001 0.000 0.276 636 N C -0.531 174.956 175.510 -0.038 0.000 1.261 636 N CA -0.648 52.382 53.050 -0.033 0.000 0.790 636 N CB 1.619 40.092 38.487 -0.023 0.000 1.554 636 N HN -0.160 nan 8.380 nan 0.000 0.481 637 N N 0.672 119.354 118.700 -0.031 0.000 2.244 637 N HA -0.102 4.638 4.740 -0.001 0.000 0.183 637 N C 0.628 176.129 175.510 -0.016 0.000 1.016 637 N CA 1.126 54.160 53.050 -0.026 0.000 0.866 637 N CB -0.024 38.455 38.487 -0.014 0.000 0.980 637 N HN 0.512 nan 8.380 nan 0.000 0.430 638 D N 0.808 121.202 120.400 -0.011 0.000 2.178 638 D HA -0.149 4.490 4.640 -0.001 0.000 0.201 638 D C 1.546 177.841 176.300 -0.008 0.000 0.980 638 D CA 0.852 54.849 54.000 -0.005 0.000 0.842 638 D CB -0.011 40.787 40.800 -0.003 0.000 0.948 638 D HN 0.673 nan 8.370 nan 0.000 0.472 639 E N -0.003 120.187 120.200 -0.017 0.000 2.474 639 E HA 0.251 4.600 4.350 -0.001 0.000 0.195 639 E C 0.281 176.866 176.600 -0.024 0.000 1.039 639 E CA -0.255 56.133 56.400 -0.020 0.000 0.881 639 E CB 0.357 30.042 29.700 -0.026 0.000 0.970 639 E HN -0.025 nan 8.360 nan 0.000 0.486 640 A N 1.737 124.541 122.820 -0.026 0.000 2.454 640 A HA 0.067 4.386 4.320 -0.001 0.000 0.260 640 A C 0.498 178.085 177.584 0.005 0.000 1.106 640 A CA -0.301 51.725 52.037 -0.018 0.000 0.780 640 A CB 0.299 19.285 19.000 -0.023 0.000 1.044 640 A HN 0.337 nan 8.150 nan 0.000 0.498 641 E N 1.284 121.500 120.200 0.026 0.000 2.385 641 E HA 0.199 4.548 4.350 -0.001 0.000 0.194 641 E C -0.099 176.517 176.600 0.027 0.000 1.013 641 E CA 0.503 56.925 56.400 0.035 0.000 0.866 641 E CB 0.500 30.235 29.700 0.057 0.000 0.832 641 E HN 0.382 nan 8.360 nan 0.000 0.500 642 V N 0.558 120.489 119.914 0.029 0.000 3.098 642 V HA 0.187 4.306 4.120 -0.001 0.000 0.294 642 V C -1.555 174.531 176.094 -0.014 0.000 1.351 642 V CA -0.904 61.390 62.300 -0.009 0.000 0.999 642 V CB 2.340 34.144 31.823 -0.032 0.000 1.104 642 V HN -0.193 nan 8.190 nan 0.000 0.438 643 V N 6.446 126.313 119.914 -0.078 0.000 2.472 643 V HA 0.551 4.670 4.120 -0.001 0.000 0.290 643 V C -0.260 175.723 176.094 -0.184 0.000 1.037 643 V CA -0.540 61.690 62.300 -0.117 0.000 0.908 643 V CB 1.602 33.343 31.823 -0.136 0.000 0.985 643 V HN 0.651 nan 8.190 nan 0.000 0.454 644 L N 4.659 125.740 121.223 -0.237 0.000 2.294 644 L HA 0.806 5.146 4.340 -0.001 0.000 0.283 644 L C 0.078 176.699 176.870 -0.414 0.000 1.015 644 L CA -0.350 54.291 54.840 -0.333 0.000 0.831 644 L CB 1.445 43.250 42.059 -0.424 0.000 1.217 644 L HN 0.742 nan 8.230 nan 0.000 0.420 645 A N 3.183 125.736 122.820 -0.444 0.000 2.355 645 A HA 0.961 5.280 4.320 -0.001 0.000 0.317 645 A C -0.702 176.398 177.584 -0.808 0.000 1.094 645 A CA -0.395 51.264 52.037 -0.631 0.000 0.764 645 A CB 1.827 20.504 19.000 -0.539 0.000 1.230 645 A HN 0.744 nan 8.150 nan 0.000 0.448 646 A N 0.651 122.968 122.820 -0.837 0.000 2.498 646 A HA 0.926 5.246 4.320 -0.001 0.000 0.298 646 A C -0.469 176.777 177.584 -0.564 0.000 1.075 646 A CA -0.017 51.611 52.037 -0.682 0.000 0.714 646 A CB 1.591 20.267 19.000 -0.540 0.000 1.299 646 A HN 2.446 nan 8.150 nan 0.000 0.407 647 A N 0.567 123.178 122.820 -0.349 0.000 2.381 647 A HA 0.911 5.230 4.320 -0.001 0.000 0.299 647 A C 0.193 177.499 177.584 -0.464 0.000 1.049 647 A CA 0.093 51.943 52.037 -0.311 0.000 0.715 647 A CB 0.809 19.709 19.000 -0.166 0.000 1.222 647 A HN 2.862 nan 8.150 nan 0.000 0.428 648 G N 2.701 111.334 108.800 -0.279 0.000 2.784 648 G HA2 0.088 4.047 3.960 -0.001 0.000 0.686 648 G HA3 0.088 4.047 3.960 -0.001 0.000 0.686 648 G C 0.076 174.989 174.900 0.022 0.000 1.156 648 G CA 0.162 45.219 45.100 -0.073 0.000 0.757 648 G HN 1.180 nan 8.290 nan 0.000 0.642 649 D N 0.439 120.926 120.400 0.146 0.000 2.104 649 D HA -0.161 4.478 4.640 -0.001 0.000 0.194 649 D C 2.443 178.841 176.300 0.163 0.000 0.994 649 D CA 1.968 56.103 54.000 0.225 0.000 0.830 649 D CB -0.338 40.639 40.800 0.294 0.000 0.959 649 D HN 0.455 nan 8.370 nan 0.000 0.452 650 V N 2.002 121.976 119.914 0.100 0.000 2.244 650 V HA -0.142 3.977 4.120 -0.001 0.000 0.244 650 V C -0.500 175.454 176.094 -0.233 0.000 1.042 650 V CA 1.916 64.194 62.300 -0.035 0.000 1.006 650 V CB -1.427 30.359 31.823 -0.062 0.000 0.641 650 V HN 0.164 nan 8.190 nan 0.000 0.446 651 P HA -0.148 nan 4.420 nan 0.000 0.217 651 P C 1.718 178.838 177.300 -0.300 0.000 1.148 651 P CA 1.772 64.650 63.100 -0.370 0.000 0.828 651 P CB -0.176 31.331 31.700 -0.320 0.000 0.783 652 T N -0.905 113.507 114.554 -0.238 0.000 2.812 652 T HA -0.167 4.182 4.350 -0.001 0.000 0.264 652 T C 1.872 176.410 174.700 -0.269 0.000 1.042 652 T CA 1.180 63.084 62.100 -0.327 0.000 1.140 652 T CB -0.600 68.104 68.868 -0.273 0.000 0.870 652 T HN 0.289 nan 8.240 nan 0.000 0.445 653 Q N 0.670 120.470 119.800 -0.000 0.000 2.096 653 Q HA -0.202 4.138 4.340 -0.001 0.000 0.204 653 Q C 1.934 177.851 176.000 -0.138 0.000 0.982 653 Q CA 1.447 57.344 55.803 0.156 0.000 0.850 653 Q CB -0.000 28.874 28.738 0.228 0.000 0.901 653 Q HN 0.377 nan 8.270 nan 0.000 0.422 654 E N 0.345 120.403 120.200 -0.236 0.000 2.158 654 E HA -0.086 4.263 4.350 -0.001 0.000 0.191 654 E C 2.109 178.477 176.600 -0.387 0.000 0.982 654 E CA 0.435 56.638 56.400 -0.329 0.000 0.823 654 E CB -0.012 29.514 29.700 -0.289 0.000 0.766 654 E HN 0.433 nan 8.360 nan 0.000 0.468 655 I N 0.854 121.198 120.570 -0.376 0.000 2.315 655 I HA -0.172 3.998 4.170 -0.001 0.000 0.248 655 I C 2.147 178.020 176.117 -0.407 0.000 1.117 655 I CA 0.899 61.954 61.300 -0.407 0.000 1.404 655 I CB -0.527 37.206 38.000 -0.445 0.000 1.071 655 I HN 0.114 nan 8.210 nan 0.000 0.419 656 M N 0.272 119.635 119.600 -0.394 0.000 2.156 656 M HA -0.080 4.399 4.480 -0.001 0.000 0.264 656 M C 2.516 178.768 176.300 -0.080 0.000 1.067 656 M CA 1.509 56.633 55.300 -0.294 0.000 1.131 656 M CB -1.344 30.948 32.600 -0.514 0.000 1.368 656 M HN 0.184 nan 8.290 nan 0.000 0.416 657 A N 0.362 122.913 122.820 -0.448 0.000 1.883 657 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 657 A C 2.430 179.756 177.584 -0.429 0.000 1.186 657 A CA 2.295 53.837 52.037 -0.825 0.000 0.624 657 A CB -1.032 17.140 19.000 -1.380 0.000 0.822 657 A HN 0.471 nan 8.150 nan 0.000 0.444 658 A N 0.339 122.906 122.820 -0.422 0.000 1.948 658 A HA -0.167 4.153 4.320 -0.001 0.000 0.220 658 A C 2.529 179.921 177.584 -0.321 0.000 1.177 658 A CA 2.652 54.474 52.037 -0.359 0.000 0.636 658 A CB -1.051 17.722 19.000 -0.378 0.000 0.815 658 A HN 1.115 nan 8.150 nan 0.000 0.449 659 S N -0.390 115.111 115.700 -0.331 0.000 2.402 659 S HA -0.168 4.301 4.470 -0.001 0.000 0.229 659 S C 1.499 176.104 174.600 0.008 0.000 1.021 659 S CA 1.441 59.374 58.200 -0.444 0.000 0.974 659 S CB -0.431 62.545 63.200 -0.373 0.000 0.800 659 S HN 0.478 nan 8.310 nan 0.000 0.484 660 D N 1.798 122.307 120.400 0.181 0.000 2.097 660 D HA 0.013 4.653 4.640 -0.001 0.000 0.197 660 D C 2.041 178.429 176.300 0.147 0.000 0.984 660 D CA 1.155 55.318 54.000 0.270 0.000 0.826 660 D CB -0.264 40.797 40.800 0.434 0.000 0.973 660 D HN 0.482 nan 8.370 nan 0.000 0.460 661 K N -0.014 120.412 120.400 0.043 0.000 2.152 661 K HA -0.081 4.238 4.320 -0.001 0.000 0.206 661 K C 2.177 178.783 176.600 0.011 0.000 1.048 661 K CA 0.643 56.933 56.287 0.005 0.000 0.933 661 K CB -0.056 32.408 32.500 -0.059 0.000 0.721 661 K HN 0.171 nan 8.250 nan 0.000 0.447 662 L N 0.631 121.847 121.223 -0.012 0.000 2.179 662 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 662 L C 2.483 179.495 176.870 0.237 0.000 1.096 662 L CA 0.869 55.731 54.840 0.038 0.000 0.779 662 L CB -0.273 41.720 42.059 -0.111 0.000 0.922 662 L HN 0.115 nan 8.230 nan 0.000 0.443 663 K N 0.814 121.421 120.400 0.345 0.000 2.063 663 K HA -0.216 4.103 4.320 -0.001 0.000 0.208 663 K C 1.866 178.550 176.600 0.139 0.000 1.048 663 K CA 1.578 58.028 56.287 0.271 0.000 0.928 663 K CB 0.027 32.686 32.500 0.264 0.000 0.713 663 K HN 0.318 nan 8.250 nan 0.000 0.442 664 E N 0.292 120.562 120.200 0.117 0.000 2.204 664 E HA -0.156 4.193 4.350 -0.001 0.000 0.195 664 E C 1.574 178.219 176.600 0.076 0.000 0.990 664 E CA 0.885 57.333 56.400 0.081 0.000 0.821 664 E CB 0.019 29.760 29.700 0.068 0.000 0.750 664 E HN 0.358 nan 8.360 nan 0.000 0.477 665 L N -0.306 120.969 121.223 0.086 0.000 2.612 665 L HA 0.164 4.504 4.340 -0.001 0.000 0.230 665 L C 1.229 178.169 176.870 0.118 0.000 1.140 665 L CA 0.167 55.068 54.840 0.101 0.000 0.896 665 L CB 0.083 42.197 42.059 0.092 0.000 1.065 665 L HN 0.214 nan 8.230 nan 0.000 0.447 666 G N 0.354 109.212 108.800 0.098 0.000 2.160 666 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.251 666 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.251 666 G C 0.277 175.229 174.900 0.086 0.000 1.008 666 G CA 0.177 45.324 45.100 0.078 0.000 0.724 666 G HN 0.140 nan 8.290 nan 0.000 0.514 667 V N 1.160 121.149 119.914 0.125 0.000 2.637 667 V HA 0.306 4.426 4.120 -0.001 0.000 0.296 667 V C 0.666 176.797 176.094 0.062 0.000 1.046 667 V CA -0.098 62.289 62.300 0.145 0.000 1.066 667 V CB 1.340 33.265 31.823 0.170 0.000 0.968 667 V HN 0.274 nan 8.190 nan 0.000 0.483 668 K N 5.770 126.169 120.400 -0.002 0.000 2.240 668 K HA 0.582 4.902 4.320 -0.001 0.000 0.271 668 K C -0.826 175.728 176.600 -0.076 0.000 1.018 668 K CA -0.051 56.136 56.287 -0.166 0.000 0.874 668 K CB 1.368 33.809 32.500 -0.098 0.000 1.098 668 K HN 0.603 nan 8.250 nan 0.000 0.458 669 F N -0.797 119.122 119.950 -0.052 0.000 2.645 669 F HA 0.552 5.078 4.527 -0.001 0.000 0.310 669 F C -0.672 175.067 175.800 -0.101 0.000 1.102 669 F CA -1.446 56.504 58.000 -0.082 0.000 0.952 669 F CB 1.326 40.266 39.000 -0.099 0.000 1.326 669 F HN 0.194 nan 8.300 nan 0.000 0.456 670 K N 1.695 122.182 120.400 0.145 0.000 2.159 670 K HA 0.749 5.068 4.320 -0.001 0.000 0.266 670 K C -1.752 174.847 176.600 -0.000 0.000 0.975 670 K CA -0.753 55.544 56.287 0.016 0.000 0.865 670 K CB 1.903 34.354 32.500 -0.081 0.000 1.087 670 K HN 0.708 nan 8.250 nan 0.000 0.446 671 V N 4.459 124.318 119.914 -0.091 0.000 2.435 671 V HA 0.388 4.507 4.120 -0.001 0.000 0.290 671 V C -0.559 175.253 176.094 -0.470 0.000 1.030 671 V CA -0.763 61.371 62.300 -0.278 0.000 0.881 671 V CB 1.663 33.324 31.823 -0.269 0.000 0.983 671 V HN 0.541 nan 8.190 nan 0.000 0.445 672 V N 4.050 123.587 119.914 -0.628 0.000 2.735 672 V HA 0.541 4.661 4.120 -0.001 0.000 0.310 672 V C -0.525 174.982 176.094 -0.979 0.000 1.061 672 V CA -0.818 61.018 62.300 -0.773 0.000 0.913 672 V CB 2.290 33.659 31.823 -0.755 0.000 1.005 672 V HN 0.922 nan 8.190 nan 0.000 0.428 673 N N 1.847 119.916 118.700 -1.051 0.000 2.314 673 N HA 0.632 5.372 4.740 -0.001 0.000 0.294 673 N C -1.335 173.928 175.510 -0.412 0.000 1.029 673 N CA -0.339 52.168 53.050 -0.906 0.000 0.845 673 N CB 2.063 39.831 38.487 -1.199 0.000 1.321 673 N HN 0.391 nan 8.380 nan 0.000 0.481 674 V N 2.739 122.514 119.914 -0.232 0.000 2.347 674 V HA 0.600 4.720 4.120 -0.001 0.000 0.280 674 V C 0.809 177.007 176.094 0.173 0.000 1.021 674 V CA -0.428 61.902 62.300 0.049 0.000 0.847 674 V CB 0.703 32.663 31.823 0.228 0.000 0.990 674 V HN 0.910 nan 8.190 nan 0.000 0.444 675 A N 3.215 126.179 122.820 0.240 0.000 2.085 675 A HA 0.230 4.549 4.320 -0.001 0.000 0.208 675 A C 0.740 178.573 177.584 0.415 0.000 1.191 675 A CA 0.452 52.691 52.037 0.337 0.000 0.799 675 A CB 0.154 19.316 19.000 0.270 0.000 0.877 675 A HN 0.705 nan 8.150 nan 0.000 0.473 676 D N -0.343 120.261 120.400 0.340 0.000 2.505 676 D HA 0.324 4.963 4.640 -0.001 0.000 0.250 676 D C 0.456 176.870 176.300 0.191 0.000 1.164 676 D CA -0.542 53.596 54.000 0.231 0.000 0.870 676 D CB 1.364 42.321 40.800 0.261 0.000 1.160 676 D HN -0.039 nan 8.370 nan 0.000 0.549 677 L N 4.381 125.697 121.223 0.155 0.000 2.093 677 L HA 0.075 4.414 4.340 -0.001 0.000 0.208 677 L C 1.714 178.665 176.870 0.136 0.000 1.085 677 L CA 1.516 56.512 54.840 0.259 0.000 0.755 677 L CB -0.246 41.993 42.059 0.300 0.000 0.904 677 L HN 0.600 nan 8.230 nan 0.000 0.435 678 L N -0.627 120.619 121.223 0.039 0.000 2.551 678 L HA -0.070 4.269 4.340 -0.001 0.000 0.228 678 L C 2.363 179.276 176.870 0.072 0.000 1.153 678 L CA 0.853 55.708 54.840 0.024 0.000 0.851 678 L CB -0.672 41.372 42.059 -0.025 0.000 0.959 678 L HN 0.466 nan 8.230 nan 0.000 0.451 679 S N -0.251 115.519 115.700 0.118 0.000 2.481 679 S HA -0.065 4.404 4.470 -0.001 0.000 0.231 679 S C 1.712 176.443 174.600 0.218 0.000 0.996 679 S CA 0.509 58.803 58.200 0.157 0.000 0.942 679 S CB -0.297 63.007 63.200 0.174 0.000 0.768 679 S HN 0.475 nan 8.310 nan 0.000 0.520 680 L N 0.656 122.011 121.223 0.219 0.000 2.418 680 L HA 0.176 4.515 4.340 -0.001 0.000 0.218 680 L C 1.627 178.547 176.870 0.084 0.000 1.125 680 L CA 0.131 55.129 54.840 0.264 0.000 0.835 680 L CB -0.588 41.595 42.059 0.207 0.000 0.953 680 L HN 0.436 nan 8.230 nan 0.000 0.454 681 Q N 1.209 121.033 119.800 0.040 0.000 2.432 681 Q HA 0.007 4.347 4.340 -0.001 0.000 0.264 681 Q C 0.447 176.415 176.000 -0.053 0.000 1.035 681 Q CA -0.036 55.755 55.803 -0.021 0.000 0.908 681 Q CB 0.898 29.629 28.738 -0.012 0.000 1.280 681 Q HN 0.153 nan 8.270 nan 0.000 0.455 682 S N 1.735 117.380 115.700 -0.092 0.000 2.552 682 S HA 0.072 4.541 4.470 -0.001 0.000 0.289 682 S C 0.846 175.402 174.600 -0.073 0.000 1.304 682 S CA 0.313 58.422 58.200 -0.152 0.000 1.063 682 S CB 0.685 63.777 63.200 -0.179 0.000 0.848 682 S HN 0.703 nan 8.310 nan 0.000 0.499 683 A N 5.068 127.839 122.820 -0.082 0.000 2.014 683 A HA 0.020 4.339 4.320 -0.001 0.000 0.218 683 A C 2.075 179.652 177.584 -0.012 0.000 1.163 683 A CA 1.240 53.263 52.037 -0.024 0.000 0.652 683 A CB -0.380 18.610 19.000 -0.018 0.000 0.808 683 A HN 0.933 nan 8.150 nan 0.000 0.449 684 K N -0.100 120.281 120.400 -0.031 0.000 2.147 684 K HA -0.141 4.178 4.320 -0.001 0.000 0.205 684 K C 1.683 178.292 176.600 0.015 0.000 1.049 684 K CA 1.746 58.027 56.287 -0.010 0.000 0.936 684 K CB -0.069 32.419 32.500 -0.020 0.000 0.722 684 K HN 0.678 nan 8.250 nan 0.000 0.446 685 E N -0.335 119.879 120.200 0.023 0.000 2.307 685 E HA -0.001 4.348 4.350 -0.001 0.000 0.195 685 E C 0.166 176.791 176.600 0.042 0.000 0.975 685 E CA 0.104 56.533 56.400 0.048 0.000 0.878 685 E CB 0.260 30.003 29.700 0.071 0.000 0.845 685 E HN 0.035 nan 8.360 nan 0.000 0.488 686 N N 1.563 120.294 118.700 0.052 0.000 2.569 686 N HA -0.008 4.731 4.740 -0.001 0.000 0.254 686 N C -0.560 175.021 175.510 0.119 0.000 1.004 686 N CA -0.248 52.868 53.050 0.109 0.000 0.904 686 N CB 1.211 39.758 38.487 0.100 0.000 1.165 686 N HN -0.043 nan 8.380 nan 0.000 0.513 687 D N 1.934 122.427 120.400 0.155 0.000 2.378 687 D HA -0.087 4.552 4.640 -0.001 0.000 0.227 687 D C 0.383 176.739 176.300 0.093 0.000 1.012 687 D CA 1.039 55.108 54.000 0.115 0.000 0.905 687 D CB 0.233 41.099 40.800 0.110 0.000 0.895 687 D HN 0.621 nan 8.370 nan 0.000 0.532 688 E N -0.326 119.920 120.200 0.077 0.000 2.452 688 E HA 0.282 4.631 4.350 -0.001 0.000 0.197 688 E C 0.698 177.317 176.600 0.032 0.000 1.022 688 E CA -0.069 56.322 56.400 -0.016 0.000 0.890 688 E CB 0.580 30.158 29.700 -0.202 0.000 0.918 688 E HN 0.326 nan 8.360 nan 0.000 0.496 689 A N 1.064 123.923 122.820 0.065 0.000 2.296 689 A HA 0.289 4.609 4.320 -0.001 0.000 0.264 689 A C 0.156 177.803 177.584 0.104 0.000 1.097 689 A CA -0.467 51.621 52.037 0.086 0.000 0.811 689 A CB 0.188 19.239 19.000 0.084 0.000 1.072 689 A HN 0.157 nan 8.150 nan 0.000 0.495 690 L N 1.121 122.436 121.223 0.154 0.000 2.559 690 L HA 0.067 4.407 4.340 -0.001 0.000 0.282 690 L C 1.471 178.434 176.870 0.154 0.000 1.232 690 L CA 0.168 55.117 54.840 0.181 0.000 0.885 690 L CB -0.248 41.992 42.059 0.301 0.000 1.131 690 L HN 0.938 nan 8.230 nan 0.000 0.498 691 T N -1.852 112.776 114.554 0.124 0.000 2.856 691 T HA 0.000 4.350 4.350 -0.001 0.000 0.306 691 T C 0.904 175.681 174.700 0.127 0.000 1.062 691 T CA -0.763 61.392 62.100 0.093 0.000 1.083 691 T CB 0.875 69.786 68.868 0.072 0.000 0.984 691 T HN 0.551 nan 8.240 nan 0.000 0.542 692 D N 0.314 120.753 120.400 0.065 0.000 2.158 692 D HA -0.140 4.499 4.640 -0.001 0.000 0.197 692 D C 1.818 178.205 176.300 0.145 0.000 0.995 692 D CA 1.575 55.610 54.000 0.058 0.000 0.846 692 D CB -0.132 40.657 40.800 -0.018 0.000 0.941 692 D HN 0.903 nan 8.370 nan 0.000 0.456 693 E N 0.551 120.818 120.200 0.111 0.000 2.047 693 E HA -0.179 4.171 4.350 -0.001 0.000 0.191 693 E C 1.770 178.451 176.600 0.134 0.000 0.987 693 E CA 0.904 57.370 56.400 0.109 0.000 0.799 693 E CB 0.120 29.862 29.700 0.071 0.000 0.752 693 E HN 0.294 nan 8.360 nan 0.000 0.449 694 E N -0.192 120.090 120.200 0.137 0.000 2.110 694 E HA -0.189 4.160 4.350 -0.001 0.000 0.193 694 E C 1.808 178.521 176.600 0.188 0.000 0.988 694 E CA 1.117 57.594 56.400 0.129 0.000 0.804 694 E CB -0.226 29.542 29.700 0.114 0.000 0.745 694 E HN 0.298 nan 8.360 nan 0.000 0.458 695 F N 1.333 121.361 119.950 0.130 0.000 2.075 695 F HA -0.216 4.310 4.527 -0.001 0.000 0.297 695 F C 2.317 178.280 175.800 0.272 0.000 1.113 695 F CA 1.478 59.626 58.000 0.246 0.000 1.218 695 F CB -0.238 38.878 39.000 0.194 0.000 0.984 695 F HN -0.021 nan 8.300 nan 0.000 0.472 696 A N 0.042 123.145 122.820 0.473 0.000 1.948 696 A HA -0.256 4.063 4.320 -0.001 0.000 0.220 696 A C 1.874 179.553 177.584 0.157 0.000 1.177 696 A CA 2.188 54.410 52.037 0.308 0.000 0.636 696 A CB -1.081 18.046 19.000 0.211 0.000 0.815 696 A HN 0.484 nan 8.150 nan 0.000 0.449 697 D N -0.223 120.238 120.400 0.101 0.000 2.149 697 D HA -0.115 4.524 4.640 -0.001 0.000 0.198 697 D C 1.770 178.030 176.300 -0.068 0.000 0.990 697 D CA 1.287 55.299 54.000 0.020 0.000 0.839 697 D CB -0.266 40.543 40.800 0.016 0.000 0.948 697 D HN 0.560 nan 8.370 nan 0.000 0.460 698 I N -0.993 119.491 120.570 -0.142 0.000 2.339 698 I HA -0.139 4.030 4.170 -0.001 0.000 0.245 698 I C 1.358 177.173 176.117 -0.503 0.000 1.096 698 I CA 0.733 61.790 61.300 -0.405 0.000 1.408 698 I CB 0.054 37.672 38.000 -0.637 0.000 1.092 698 I HN -0.128 nan 8.210 nan 0.000 0.423 699 F N -0.110 119.722 119.950 -0.196 0.000 2.695 699 F HA 0.271 4.797 4.527 -0.001 0.000 0.303 699 F C 0.528 176.287 175.800 -0.068 0.000 1.091 699 F CA 0.107 57.998 58.000 -0.181 0.000 1.300 699 F CB 0.232 39.111 39.000 -0.201 0.000 1.071 699 F HN -0.166 nan 8.300 nan 0.000 0.578 700 T N -0.371 114.259 114.554 0.127 0.000 0.542 700 T HA -0.080 4.269 4.350 -0.001 0.000 0.774 700 T C 0.811 175.599 174.700 0.146 0.000 0.992 700 T CA -0.093 62.061 62.100 0.090 0.000 4.076 700 T CB -0.462 68.430 68.868 0.041 0.000 2.302 700 T HN 0.272 nan 8.240 nan 0.000 0.398 701 A N 2.510 125.394 122.820 0.106 0.000 2.019 701 A HA 0.046 4.365 4.320 -0.001 0.000 0.219 701 A C 1.524 179.164 177.584 0.093 0.000 1.164 701 A CA 2.445 54.546 52.037 0.105 0.000 0.644 701 A CB -0.224 18.817 19.000 0.068 0.000 0.805 701 A HN 1.082 nan 8.150 nan 0.000 0.449 702 D N -3.798 116.646 120.400 0.074 0.000 2.520 702 D HA 0.043 4.682 4.640 -0.001 0.000 0.386 702 D C -0.243 176.076 176.300 0.032 0.000 1.267 702 D CA -0.242 53.786 54.000 0.047 0.000 0.958 702 D CB -0.412 40.407 40.800 0.032 0.000 1.462 702 D HN 0.047 nan 8.370 nan 0.000 0.438 703 K N 1.382 121.798 120.400 0.026 0.000 2.087 703 K HA 0.518 4.837 4.320 -0.001 0.000 0.255 703 K C -2.615 173.975 176.600 -0.016 0.000 0.988 703 K CA -2.146 54.144 56.287 0.004 0.000 0.915 703 K CB 0.395 32.892 32.500 -0.005 0.000 1.043 703 K HN -0.040 nan 8.250 nan 0.000 0.457 704 P HA -0.001 nan 4.420 nan 0.000 0.262 704 P C -0.684 176.550 177.300 -0.110 0.000 1.182 704 P CA 0.031 63.104 63.100 -0.045 0.000 0.761 704 P CB 0.402 32.087 31.700 -0.024 0.000 0.795 705 V N 5.206 125.002 119.914 -0.197 0.000 2.444 705 V HA 0.296 4.416 4.120 -0.001 0.000 0.294 705 V C -0.202 175.769 176.094 -0.204 0.000 1.022 705 V CA -0.658 61.445 62.300 -0.329 0.000 0.850 705 V CB 1.712 33.006 31.823 -0.882 0.000 0.992 705 V HN 0.326 nan 8.190 nan 0.000 0.426 706 L N 6.008 127.149 121.223 -0.137 0.000 2.280 706 L HA 0.600 4.939 4.340 -0.001 0.000 0.287 706 L C -1.083 175.778 176.870 -0.015 0.000 1.023 706 L CA -0.067 54.744 54.840 -0.048 0.000 0.819 706 L CB 0.831 42.819 42.059 -0.119 0.000 1.212 706 L HN 0.576 nan 8.230 nan 0.000 0.420 707 F N 5.189 125.118 119.950 -0.034 0.000 2.445 707 F HA 0.740 5.267 4.527 -0.001 0.000 0.348 707 F C 0.023 175.849 175.800 0.043 0.000 1.125 707 F CA -0.763 57.237 58.000 -0.001 0.000 0.983 707 F CB 1.202 40.256 39.000 0.090 0.000 1.198 707 F HN 0.666 nan 8.300 nan 0.000 0.436 708 A N 5.965 128.860 122.820 0.125 0.000 2.276 708 A HA 0.441 4.761 4.320 -0.001 0.000 0.300 708 A C -1.982 175.743 177.584 0.234 0.000 1.235 708 A CA -0.314 51.791 52.037 0.113 0.000 0.867 708 A CB 0.252 19.169 19.000 -0.139 0.000 1.137 708 A HN 0.740 nan 8.150 nan 0.000 0.527 709 Y N 1.582 121.978 120.300 0.161 0.000 2.409 709 Y HA 0.391 4.940 4.550 -0.001 0.000 0.343 709 Y C 1.089 177.050 175.900 0.101 0.000 0.973 709 Y CA -0.878 57.322 58.100 0.167 0.000 1.064 709 Y CB 1.252 39.831 38.460 0.197 0.000 1.207 709 Y HN 0.925 nan 8.280 nan 0.000 0.452 710 H N 1.893 120.620 119.070 -0.572 0.000 2.357 710 H HA -0.079 4.476 4.556 -0.001 0.000 0.296 710 H C 0.921 176.105 175.328 -0.240 0.000 1.108 710 H CA 2.237 58.068 56.048 -0.363 0.000 1.273 710 H CB 0.427 29.919 29.762 -0.450 0.000 1.367 710 H HN 0.523 nan 8.280 nan 0.000 0.498 711 S N -2.217 112.973 115.700 -0.850 0.000 3.012 711 S HA 0.274 4.743 4.470 -0.001 0.000 0.254 711 S C -1.076 173.532 174.600 0.014 0.000 1.030 711 S CA -0.796 57.176 58.200 -0.380 0.000 1.053 711 S CB -0.073 63.093 63.200 -0.058 0.000 1.286 711 S HN 0.231 nan 8.310 nan 0.000 0.633 712 Y N 1.701 122.223 120.300 0.370 0.000 2.436 712 Y HA 0.377 4.926 4.550 -0.001 0.000 0.336 712 Y C 1.465 177.639 175.900 0.457 0.000 1.049 712 Y CA 0.090 58.413 58.100 0.371 0.000 1.294 712 Y CB 0.487 39.107 38.460 0.266 0.000 1.179 712 Y HN 0.735 nan 8.280 nan 0.000 0.520 713 A N 3.160 126.253 122.820 0.455 0.000 1.927 713 A HA -0.312 4.007 4.320 -0.001 0.000 0.220 713 A C 2.236 179.859 177.584 0.066 0.000 1.185 713 A CA 2.145 54.313 52.037 0.219 0.000 0.639 713 A CB -1.005 18.069 19.000 0.124 0.000 0.820 713 A HN 1.016 nan 8.150 nan 0.000 0.451 714 H N 0.462 119.580 119.070 0.080 0.000 2.346 714 H HA -0.255 4.301 4.556 -0.001 0.000 0.285 714 H C 1.474 176.792 175.328 -0.017 0.000 1.123 714 H CA 2.502 58.566 56.048 0.027 0.000 1.182 714 H CB -0.260 29.530 29.762 0.046 0.000 1.351 714 H HN 0.503 nan 8.280 nan 0.000 0.475 715 D N -0.210 120.266 120.400 0.126 0.000 2.123 715 D HA -0.111 4.528 4.640 -0.001 0.000 0.196 715 D C 2.542 178.690 176.300 -0.253 0.000 0.992 715 D CA 1.144 55.154 54.000 0.017 0.000 0.833 715 D CB -0.384 40.524 40.800 0.180 0.000 0.954 715 D HN 0.284 nan 8.370 nan 0.000 0.455 716 V N 0.836 120.466 119.914 -0.473 0.000 2.346 716 V HA -0.139 3.980 4.120 -0.001 0.000 0.244 716 V C 2.449 178.267 176.094 -0.461 0.000 1.037 716 V CA 1.172 63.105 62.300 -0.611 0.000 1.029 716 V CB -0.302 30.922 31.823 -1.000 0.000 0.663 716 V HN 0.067 nan 8.190 nan 0.000 0.454 717 R N 0.475 120.742 120.500 -0.388 0.000 2.096 717 R HA -0.171 4.169 4.340 -0.001 0.000 0.240 717 R C 2.415 178.524 176.300 -0.318 0.000 1.139 717 R CA 1.797 57.701 56.100 -0.327 0.000 0.952 717 R CB -0.940 29.206 30.300 -0.257 0.000 0.854 717 R HN 0.580 nan 8.270 nan 0.000 0.436 718 G N 0.718 109.298 108.800 -0.366 0.000 2.422 718 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.218 718 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.218 718 G C 1.275 176.075 174.900 -0.166 0.000 1.140 718 G CA 0.102 45.018 45.100 -0.306 0.000 0.775 718 G HN 0.069 nan 8.290 nan 0.000 0.545 719 L N 1.496 122.610 121.223 -0.181 0.000 2.056 719 L HA 0.105 4.444 4.340 -0.001 0.000 0.207 719 L C 2.502 179.290 176.870 -0.136 0.000 1.078 719 L CA 1.246 56.013 54.840 -0.122 0.000 0.749 719 L CB -0.395 41.570 42.059 -0.156 0.000 0.901 719 L HN 0.509 nan 8.230 nan 0.000 0.433 720 I N -3.456 116.946 120.570 -0.281 0.000 3.806 720 I HA -0.024 4.145 4.170 -0.001 0.000 0.321 720 I C 1.988 177.766 176.117 -0.565 0.000 1.315 720 I CA -0.101 60.924 61.300 -0.459 0.000 1.148 720 I CB -0.883 36.745 38.000 -0.619 0.000 1.028 720 I HN 0.288 nan 8.210 nan 0.000 0.415 721 Y N 1.874 121.860 120.300 -0.522 0.000 2.333 721 Y HA -0.183 4.367 4.550 -0.001 0.000 0.290 721 Y C 1.709 177.118 175.900 -0.818 0.000 1.144 721 Y CA 1.407 59.115 58.100 -0.653 0.000 1.228 721 Y CB -0.731 37.480 38.460 -0.414 0.000 0.985 721 Y HN 0.435 nan 8.280 nan 0.000 0.542 722 D N -0.624 118.932 120.400 -1.407 0.000 2.395 722 D HA 0.069 4.709 4.640 -0.001 0.000 0.213 722 D C 0.151 176.105 176.300 -0.576 0.000 1.110 722 D CA -0.240 53.164 54.000 -0.994 0.000 0.835 722 D CB -0.117 40.013 40.800 -1.116 0.000 0.965 722 D HN 0.062 nan 8.370 nan 0.000 0.505 723 R N 1.177 121.319 120.500 -0.596 0.000 2.582 723 R HA 0.383 4.723 4.340 -0.001 0.000 0.271 723 R C -2.388 173.751 176.300 -0.267 0.000 1.078 723 R CA -2.065 53.636 56.100 -0.665 0.000 1.127 723 R CB -0.252 29.216 30.300 -1.387 0.000 1.038 723 R HN 0.085 nan 8.270 nan 0.000 0.500 724 P HA 0.019 nan 4.420 nan 0.000 0.264 724 P C 0.235 177.618 177.300 0.138 0.000 1.193 724 P CA 0.425 63.531 63.100 0.010 0.000 0.763 724 P CB 0.387 32.148 31.700 0.101 0.000 0.810 725 N N 1.664 120.404 118.700 0.066 0.000 2.936 725 N HA -0.238 4.502 4.740 -0.001 0.000 0.236 725 N C 1.283 176.890 175.510 0.163 0.000 0.930 725 N CA 1.592 54.722 53.050 0.132 0.000 0.966 725 N CB -2.012 36.648 38.487 0.288 0.000 1.090 725 N HN 0.754 nan 8.380 nan 0.000 0.592 726 H N -1.071 118.019 119.070 0.032 0.000 2.431 726 H HA -0.122 4.434 4.556 -0.001 0.000 0.297 726 H C 0.656 176.000 175.328 0.026 0.000 1.115 726 H CA 1.610 57.544 56.048 -0.191 0.000 1.277 726 H CB -0.283 29.249 29.762 -0.383 0.000 1.372 726 H HN 0.297 nan 8.280 nan 0.000 0.516 727 D N 0.860 121.020 120.400 -0.400 0.000 2.350 727 D HA -0.069 4.570 4.640 -0.001 0.000 0.216 727 D C 1.053 177.380 176.300 0.044 0.000 0.968 727 D CA 0.346 54.268 54.000 -0.130 0.000 0.894 727 D CB -0.206 40.467 40.800 -0.211 0.000 0.909 727 D HN 0.402 nan 8.370 nan 0.000 0.520 728 N N -0.274 118.508 118.700 0.137 0.000 2.322 728 N HA 0.029 4.769 4.740 -0.001 0.000 0.194 728 N C -0.283 175.337 175.510 0.182 0.000 1.126 728 N CA -0.082 53.047 53.050 0.133 0.000 0.845 728 N CB 0.168 38.699 38.487 0.072 0.000 0.976 728 N HN 0.144 nan 8.380 nan 0.000 0.475 729 F N 0.825 120.782 119.950 0.012 0.000 2.427 729 F HA 0.209 4.735 4.527 -0.001 0.000 0.352 729 F C 1.036 176.849 175.800 0.022 0.000 1.100 729 F CA -0.801 57.213 58.000 0.023 0.000 1.191 729 F CB 0.683 39.669 39.000 -0.023 0.000 1.128 729 F HN -0.151 nan 8.300 nan 0.000 0.533 730 N N 3.638 122.448 118.700 0.184 0.000 2.626 730 N HA 0.241 4.981 4.740 -0.001 0.000 0.242 730 N C -1.489 174.145 175.510 0.207 0.000 1.005 730 N CA -0.228 52.913 53.050 0.151 0.000 0.905 730 N CB 0.997 39.571 38.487 0.146 0.000 1.128 730 N HN 0.267 nan 8.380 nan 0.000 0.512 731 V N 4.444 124.430 119.914 0.120 0.000 2.407 731 V HA 0.283 4.403 4.120 -0.001 0.000 0.278 731 V C 0.215 176.346 176.094 0.061 0.000 1.037 731 V CA -0.552 61.825 62.300 0.130 0.000 0.900 731 V CB 0.746 32.545 31.823 -0.040 0.000 0.983 731 V HN 0.549 nan 8.190 nan 0.000 0.459 732 H N 2.877 122.035 119.070 0.147 0.000 2.466 732 H HA 0.716 5.271 4.556 -0.001 0.000 0.338 732 H C 0.249 175.694 175.328 0.194 0.000 1.091 732 H CA 0.086 56.208 56.048 0.124 0.000 1.207 732 H CB 2.369 32.165 29.762 0.056 0.000 1.466 732 H HN 0.855 nan 8.280 nan 0.000 0.493 733 G N 1.327 110.290 108.800 0.272 0.000 2.721 733 G HA2 0.157 4.116 3.960 -0.001 0.000 0.296 733 G HA3 0.157 4.116 3.960 -0.001 0.000 0.296 733 G C -1.767 173.351 174.900 0.364 0.000 1.383 733 G CA -0.705 44.605 45.100 0.350 0.000 0.788 733 G HN 0.463 nan 8.290 nan 0.000 0.500 734 Y N 1.329 121.731 120.300 0.170 0.000 2.511 734 Y HA 0.315 4.864 4.550 -0.001 0.000 0.332 734 Y C 1.164 177.042 175.900 -0.038 0.000 1.177 734 Y CA 0.490 58.538 58.100 -0.087 0.000 1.422 734 Y CB 0.851 38.917 38.460 -0.656 0.000 1.271 734 Y HN 0.557 nan 8.280 nan 0.000 0.550 735 E N 3.329 123.100 120.200 -0.715 0.000 3.428 735 E HA 0.164 4.514 4.350 -0.001 0.000 0.191 735 E C -0.681 175.606 176.600 -0.521 0.000 0.980 735 E CA -0.289 55.874 56.400 -0.395 0.000 1.305 735 E CB 0.171 29.794 29.700 -0.129 0.000 1.105 735 E HN 0.605 nan 8.360 nan 0.000 0.455 736 E N 0.956 120.492 120.200 -1.107 0.000 2.340 736 E HA -0.146 4.203 4.350 -0.001 0.000 0.240 736 E C -0.793 175.823 176.600 0.027 0.000 1.154 736 E CA 0.965 57.216 56.400 -0.248 0.000 0.717 736 E CB -1.161 28.594 29.700 0.091 0.000 1.250 736 E HN 0.588 nan 8.360 nan 0.000 0.386 737 E N -0.534 119.595 120.200 -0.118 0.000 2.340 737 E HA 0.801 5.150 4.350 -0.001 0.000 0.273 737 E C 0.466 177.156 176.600 0.150 0.000 0.891 737 E CA -0.175 56.212 56.400 -0.021 0.000 0.757 737 E CB 2.330 31.968 29.700 -0.104 0.000 1.231 737 E HN 0.278 nan 8.360 nan 0.000 0.439 738 G N 0.354 109.177 108.800 0.038 0.000 2.350 738 G HA2 0.392 4.351 3.960 -0.001 0.000 0.304 738 G HA3 0.392 4.351 3.960 -0.001 0.000 0.304 738 G C -0.881 174.038 174.900 0.032 0.000 1.421 738 G CA 0.018 45.196 45.100 0.130 0.000 0.934 738 G HN 0.783 nan 8.290 nan 0.000 0.632 739 S N -1.941 113.798 115.700 0.066 0.000 2.815 739 S HA 0.775 5.244 4.470 -0.001 0.000 0.296 739 S C -0.619 174.026 174.600 0.075 0.000 1.224 739 S CA -0.107 58.117 58.200 0.039 0.000 0.938 739 S CB 1.217 64.406 63.200 -0.020 0.000 1.285 739 S HN 1.299 nan 8.310 nan 0.000 0.549 740 T N 1.558 116.150 114.554 0.065 0.000 2.747 740 T HA 0.694 5.043 4.350 -0.001 0.000 0.301 740 T C -0.097 174.646 174.700 0.072 0.000 0.952 740 T CA 0.064 62.201 62.100 0.062 0.000 0.983 740 T CB 0.409 69.311 68.868 0.057 0.000 0.930 740 T HN 0.810 nan 8.240 nan 0.000 0.494 741 T N 1.429 116.031 114.554 0.079 0.000 2.630 741 T HA 0.597 4.946 4.350 -0.001 0.000 0.300 741 T C -0.550 174.215 174.700 0.109 0.000 1.261 741 T CA -0.398 61.764 62.100 0.103 0.000 1.060 741 T CB 0.877 69.814 68.868 0.115 0.000 1.670 741 T HN 0.628 nan 8.240 nan 0.000 0.473 742 T N 0.304 114.937 114.554 0.132 0.000 2.927 742 T HA 0.560 4.909 4.350 -0.001 0.000 0.281 742 T C -1.966 172.808 174.700 0.124 0.000 0.998 742 T CA -1.402 60.785 62.100 0.144 0.000 1.019 742 T CB 0.926 69.905 68.868 0.185 0.000 1.061 742 T HN 0.308 nan 8.240 nan 0.000 0.518 743 P HA -0.126 nan 4.420 nan 0.000 0.215 743 P C 1.220 178.561 177.300 0.068 0.000 1.157 743 P CA 1.134 64.339 63.100 0.174 0.000 0.874 743 P CB -0.228 31.640 31.700 0.280 0.000 0.790 744 Y N 0.690 120.817 120.300 -0.288 0.000 2.165 744 Y HA -0.264 4.285 4.550 -0.001 0.000 0.286 744 Y C 2.159 177.959 175.900 -0.168 0.000 1.155 744 Y CA 1.838 59.569 58.100 -0.615 0.000 1.164 744 Y CB -0.845 37.040 38.460 -0.958 0.000 0.978 744 Y HN -0.124 nan 8.280 nan 0.000 0.513 745 D N -0.151 120.072 120.400 -0.295 0.000 2.123 745 D HA -0.210 4.429 4.640 -0.001 0.000 0.196 745 D C 2.048 178.228 176.300 -0.199 0.000 0.992 745 D CA 1.636 55.458 54.000 -0.296 0.000 0.833 745 D CB -0.130 40.692 40.800 0.036 0.000 0.954 745 D HN 0.301 nan 8.370 nan 0.000 0.455 746 M N 0.159 119.746 119.600 -0.021 0.000 2.080 746 M HA -0.131 4.348 4.480 -0.001 0.000 0.260 746 M C 2.451 178.884 176.300 0.222 0.000 1.068 746 M CA 1.061 56.446 55.300 0.141 0.000 1.109 746 M CB -1.173 31.578 32.600 0.251 0.000 1.342 746 M HN 0.161 nan 8.290 nan 0.000 0.405 747 V N -2.112 117.852 119.914 0.084 0.000 2.591 747 V HA -0.137 3.982 4.120 -0.001 0.000 0.249 747 V C 2.436 178.470 176.094 -0.101 0.000 1.053 747 V CA 1.586 63.888 62.300 0.005 0.000 1.068 747 V CB -1.020 30.734 31.823 -0.115 0.000 0.689 747 V HN 0.387 nan 8.190 nan 0.000 0.462 748 R N 1.458 121.759 120.500 -0.332 0.000 2.082 748 R HA -0.135 4.204 4.340 -0.001 0.000 0.234 748 R C 2.361 178.548 176.300 -0.188 0.000 1.136 748 R CA 2.666 58.553 56.100 -0.355 0.000 0.935 748 R CB -0.600 29.259 30.300 -0.735 0.000 0.842 748 R HN 0.633 nan 8.270 nan 0.000 0.430 749 V N -0.745 119.053 119.914 -0.192 0.000 2.913 749 V HA -0.072 4.047 4.120 -0.001 0.000 0.260 749 V C 0.901 176.965 176.094 -0.049 0.000 1.098 749 V CA 1.760 63.974 62.300 -0.143 0.000 1.121 749 V CB -0.593 31.129 31.823 -0.168 0.000 0.714 749 V HN 0.325 nan 8.190 nan 0.000 0.487 750 N N 0.931 119.661 118.700 0.049 0.000 2.276 750 N HA 0.204 4.943 4.740 -0.001 0.000 0.212 750 N C 0.020 175.605 175.510 0.126 0.000 1.127 750 N CA 0.052 53.166 53.050 0.106 0.000 0.834 750 N CB 0.169 38.837 38.487 0.302 0.000 1.014 750 N HN 0.573 nan 8.380 nan 0.000 0.491 751 R N 0.296 120.838 120.500 0.069 0.000 3.422 751 R HA -0.154 4.186 4.340 -0.001 0.000 0.267 751 R C 0.335 176.699 176.300 0.107 0.000 1.074 751 R CA 0.400 56.560 56.100 0.099 0.000 0.718 751 R CB -2.020 28.378 30.300 0.163 0.000 1.157 751 R HN 0.329 nan 8.270 nan 0.000 0.440 752 I N 0.450 121.018 120.570 -0.004 0.000 4.160 752 I HA 0.028 4.198 4.170 -0.001 0.000 0.325 752 I C 0.433 176.439 176.117 -0.185 0.000 1.455 752 I CA -0.393 60.835 61.300 -0.121 0.000 1.142 752 I CB 0.252 38.160 38.000 -0.153 0.000 1.262 752 I HN 0.205 nan 8.210 nan 0.000 0.483 753 D N 1.601 121.938 120.400 -0.105 0.000 2.382 753 D HA -0.073 4.567 4.640 -0.001 0.000 0.240 753 D C 1.267 177.476 176.300 -0.151 0.000 1.146 753 D CA -0.387 53.586 54.000 -0.045 0.000 0.897 753 D CB 0.637 41.528 40.800 0.152 0.000 1.197 753 D HN 0.346 nan 8.370 nan 0.000 0.432 754 R N 0.963 121.292 120.500 -0.285 0.000 2.154 754 R HA -0.263 4.076 4.340 -0.001 0.000 0.248 754 R C 1.283 177.312 176.300 -0.451 0.000 1.155 754 R CA 1.528 57.335 56.100 -0.489 0.000 0.979 754 R CB -0.963 28.893 30.300 -0.740 0.000 0.869 754 R HN 0.547 nan 8.270 nan 0.000 0.452 755 Y N 0.926 121.228 120.300 0.002 0.000 2.286 755 Y HA -0.004 4.546 4.550 -0.001 0.000 0.293 755 Y C 2.509 178.392 175.900 -0.029 0.000 1.124 755 Y CA 1.079 59.183 58.100 0.006 0.000 1.178 755 Y CB -0.372 38.167 38.460 0.131 0.000 1.010 755 Y HN 0.166 nan 8.280 nan 0.000 0.536 756 E N 0.839 121.090 120.200 0.086 0.000 2.106 756 E HA -0.110 4.239 4.350 -0.001 0.000 0.192 756 E C 1.846 178.360 176.600 -0.144 0.000 0.984 756 E CA 1.033 57.426 56.400 -0.012 0.000 0.806 756 E CB -0.430 29.261 29.700 -0.016 0.000 0.750 756 E HN 0.450 nan 8.360 nan 0.000 0.458 757 L N -0.016 121.073 121.223 -0.222 0.000 2.017 757 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 757 L C 2.449 179.173 176.870 -0.242 0.000 1.073 757 L CA 1.718 56.380 54.840 -0.296 0.000 0.745 757 L CB -0.953 40.909 42.059 -0.328 0.000 0.894 757 L HN 0.194 nan 8.230 nan 0.000 0.432 758 T N 0.241 114.669 114.554 -0.209 0.000 2.665 758 T HA -0.258 4.091 4.350 -0.001 0.000 0.268 758 T C 2.036 176.646 174.700 -0.150 0.000 1.035 758 T CA 1.559 63.548 62.100 -0.185 0.000 1.151 758 T CB -0.401 68.387 68.868 -0.133 0.000 0.862 758 T HN 0.464 nan 8.240 nan 0.000 0.438 759 A N 1.681 124.448 122.820 -0.088 0.000 1.908 759 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 759 A C 2.368 179.910 177.584 -0.069 0.000 1.181 759 A CA 1.397 53.402 52.037 -0.054 0.000 0.627 759 A CB -0.431 18.569 19.000 0.000 0.000 0.818 759 A HN 0.393 nan 8.150 nan 0.000 0.445 760 E N -0.130 120.014 120.200 -0.093 0.000 2.047 760 E HA -0.136 4.213 4.350 -0.001 0.000 0.191 760 E C 2.440 178.987 176.600 -0.089 0.000 0.987 760 E CA 1.141 57.495 56.400 -0.075 0.000 0.799 760 E CB -0.615 29.016 29.700 -0.114 0.000 0.752 760 E HN 0.561 nan 8.360 nan 0.000 0.449 761 A N 1.731 124.463 122.820 -0.146 0.000 1.884 761 A HA -0.211 4.108 4.320 -0.001 0.000 0.219 761 A C 2.406 179.899 177.584 -0.152 0.000 1.197 761 A CA 1.577 53.519 52.037 -0.158 0.000 0.637 761 A CB -0.946 17.922 19.000 -0.220 0.000 0.827 761 A HN 0.191 nan 8.150 nan 0.000 0.450 762 L N -1.419 119.679 121.223 -0.208 0.000 2.083 762 L HA -0.199 4.140 4.340 -0.001 0.000 0.209 762 L C 2.871 179.716 176.870 -0.042 0.000 1.083 762 L CA 1.549 56.218 54.840 -0.285 0.000 0.752 762 L CB -0.524 41.306 42.059 -0.382 0.000 0.899 762 L HN 0.369 nan 8.230 nan 0.000 0.433 763 R N -0.254 120.239 120.500 -0.012 0.000 2.092 763 R HA -0.102 4.237 4.340 -0.001 0.000 0.231 763 R C 2.250 178.575 176.300 0.042 0.000 1.119 763 R CA 1.353 57.477 56.100 0.039 0.000 0.970 763 R CB -0.260 30.060 30.300 0.033 0.000 0.864 763 R HN 0.359 nan 8.270 nan 0.000 0.440 764 M N -0.297 119.312 119.600 0.015 0.000 2.349 764 M HA -0.032 4.447 4.480 -0.001 0.000 0.266 764 M C 1.882 178.201 176.300 0.031 0.000 1.076 764 M CA 1.269 56.580 55.300 0.019 0.000 1.126 764 M CB 0.018 32.617 32.600 -0.001 0.000 1.392 764 M HN 0.070 nan 8.290 nan 0.000 0.440 765 I N -0.754 119.839 120.570 0.039 0.000 2.206 765 I HA -0.089 4.080 4.170 -0.001 0.000 0.239 765 I C 0.347 176.547 176.117 0.137 0.000 1.078 765 I CA 0.940 62.293 61.300 0.087 0.000 1.367 765 I CB 0.284 38.349 38.000 0.108 0.000 1.078 765 I HN 0.134 nan 8.210 nan 0.000 0.413 766 D N -0.751 119.776 120.400 0.211 0.000 2.296 766 D HA 0.269 4.909 4.640 -0.001 0.000 0.224 766 D C 0.292 176.731 176.300 0.232 0.000 1.324 766 D CA 0.029 54.146 54.000 0.194 0.000 0.940 766 D CB 1.102 41.993 40.800 0.151 0.000 1.492 766 D HN 0.112 nan 8.370 nan 0.000 0.531 767 A N 2.716 125.617 122.820 0.135 0.000 1.898 767 A HA -0.119 4.200 4.320 -0.001 0.000 0.216 767 A C 1.617 179.257 177.584 0.094 0.000 1.181 767 A CA 1.369 53.478 52.037 0.121 0.000 0.620 767 A CB 0.002 19.047 19.000 0.075 0.000 0.819 767 A HN 0.469 nan 8.150 nan 0.000 0.442 768 D N -0.380 120.049 120.400 0.048 0.000 2.097 768 D HA -0.149 4.490 4.640 -0.001 0.000 0.197 768 D C 1.919 178.201 176.300 -0.030 0.000 0.984 768 D CA 1.679 55.686 54.000 0.012 0.000 0.826 768 D CB -0.262 40.537 40.800 -0.001 0.000 0.973 768 D HN 0.638 nan 8.370 nan 0.000 0.460 769 K N -0.311 120.030 120.400 -0.098 0.000 2.147 769 K HA -0.147 4.172 4.320 -0.001 0.000 0.205 769 K C 1.231 177.618 176.600 -0.355 0.000 1.049 769 K CA 1.120 57.243 56.287 -0.272 0.000 0.936 769 K CB -0.122 32.127 32.500 -0.418 0.000 0.722 769 K HN 0.225 nan 8.250 nan 0.000 0.446 770 Y N -0.460 119.847 120.300 0.012 0.000 2.458 770 Y HA 0.314 4.864 4.550 -0.001 0.000 0.256 770 Y C 1.864 177.772 175.900 0.013 0.000 1.159 770 Y CA -0.150 57.958 58.100 0.013 0.000 1.261 770 Y CB 0.460 38.928 38.460 0.012 0.000 1.119 770 Y HN 0.147 nan 8.280 nan 0.000 0.524 771 A N 0.571 123.462 122.820 0.117 0.000 1.915 771 A HA -0.284 4.035 4.320 -0.001 0.000 0.220 771 A C 1.928 179.558 177.584 0.075 0.000 1.198 771 A CA 2.559 54.645 52.037 0.082 0.000 0.647 771 A CB -0.523 18.503 19.000 0.044 0.000 0.825 771 A HN 0.385 nan 8.150 nan 0.000 0.456 772 D N -1.174 119.267 120.400 0.067 0.000 2.149 772 D HA -0.090 4.549 4.640 -0.001 0.000 0.201 772 D C 1.984 178.325 176.300 0.069 0.000 0.972 772 D CA 1.509 55.543 54.000 0.056 0.000 0.835 772 D CB -0.095 40.729 40.800 0.040 0.000 0.966 772 D HN 0.386 nan 8.370 nan 0.000 0.476 773 K N 1.540 122.001 120.400 0.101 0.000 2.062 773 K HA -0.024 4.295 4.320 -0.001 0.000 0.205 773 K C 2.109 178.755 176.600 0.077 0.000 1.051 773 K CA 0.647 56.993 56.287 0.098 0.000 0.941 773 K CB -0.625 31.965 32.500 0.150 0.000 0.719 773 K HN 0.086 nan 8.250 nan 0.000 0.440 774 I N 1.305 121.928 120.570 0.089 0.000 2.151 774 I HA -0.354 3.815 4.170 -0.001 0.000 0.243 774 I C 1.665 177.817 176.117 0.059 0.000 1.080 774 I CA 1.747 63.086 61.300 0.065 0.000 1.339 774 I CB -0.452 37.592 38.000 0.072 0.000 1.039 774 I HN 0.244 nan 8.210 nan 0.000 0.409 775 D N 0.473 120.907 120.400 0.057 0.000 2.104 775 D HA -0.256 4.384 4.640 -0.001 0.000 0.194 775 D C 2.009 178.339 176.300 0.050 0.000 0.994 775 D CA 1.438 55.467 54.000 0.049 0.000 0.830 775 D CB -0.409 40.416 40.800 0.043 0.000 0.959 775 D HN 0.456 nan 8.370 nan 0.000 0.452 776 E N 0.296 120.526 120.200 0.050 0.000 2.118 776 E HA -0.159 4.190 4.350 -0.001 0.000 0.195 776 E C 2.323 178.960 176.600 0.061 0.000 0.992 776 E CA 0.534 56.963 56.400 0.049 0.000 0.804 776 E CB -0.073 29.650 29.700 0.038 0.000 0.741 776 E HN 0.237 nan 8.360 nan 0.000 0.458 777 L N 0.748 122.009 121.223 0.064 0.000 2.056 777 L HA -0.148 4.191 4.340 -0.001 0.000 0.207 777 L C 2.592 179.528 176.870 0.112 0.000 1.078 777 L CA 0.875 55.771 54.840 0.092 0.000 0.749 777 L CB -0.265 41.851 42.059 0.094 0.000 0.901 777 L HN 0.084 nan 8.230 nan 0.000 0.433 778 E N 0.405 120.655 120.200 0.083 0.000 2.077 778 E HA -0.216 4.133 4.350 -0.001 0.000 0.193 778 E C 2.157 178.790 176.600 0.054 0.000 0.989 778 E CA 1.150 57.593 56.400 0.070 0.000 0.800 778 E CB -0.062 29.670 29.700 0.053 0.000 0.746 778 E HN 0.418 nan 8.360 nan 0.000 0.452 779 K N -0.110 120.321 120.400 0.052 0.000 2.097 779 K HA -0.114 4.206 4.320 -0.001 0.000 0.206 779 K C 1.996 178.598 176.600 0.003 0.000 1.049 779 K CA 0.885 57.192 56.287 0.033 0.000 0.933 779 K CB -0.257 32.268 32.500 0.041 0.000 0.717 779 K HN 0.019 nan 8.250 nan 0.000 0.442 780 F N 1.937 121.809 119.950 -0.130 0.000 2.171 780 F HA -0.144 4.382 4.527 -0.001 0.000 0.300 780 F C 1.986 177.624 175.800 -0.270 0.000 1.090 780 F CA 1.316 59.156 58.000 -0.267 0.000 1.293 780 F CB 0.045 38.780 39.000 -0.442 0.000 1.013 780 F HN -0.115 nan 8.300 nan 0.000 0.486 781 R N 0.265 120.683 120.500 -0.137 0.000 2.096 781 R HA -0.203 4.137 4.340 -0.001 0.000 0.240 781 R C 1.831 178.135 176.300 0.007 0.000 1.139 781 R CA 1.850 57.960 56.100 0.016 0.000 0.952 781 R CB -0.690 29.704 30.300 0.156 0.000 0.854 781 R HN 0.314 nan 8.270 nan 0.000 0.436 782 D N -0.051 120.337 120.400 -0.021 0.000 2.178 782 D HA -0.162 4.478 4.640 -0.001 0.000 0.202 782 D C 1.713 177.998 176.300 -0.025 0.000 0.974 782 D CA 0.951 54.977 54.000 0.043 0.000 0.841 782 D CB -0.123 40.697 40.800 0.035 0.000 0.953 782 D HN 0.391 nan 8.370 nan 0.000 0.478 783 E N 0.708 120.769 120.200 -0.232 0.000 2.047 783 E HA -0.122 4.227 4.350 -0.001 0.000 0.191 783 E C 2.026 178.405 176.600 -0.369 0.000 0.987 783 E CA 0.927 57.144 56.400 -0.305 0.000 0.799 783 E CB 0.032 29.488 29.700 -0.405 0.000 0.752 783 E HN 0.125 nan 8.360 nan 0.000 0.449 784 A N 0.670 123.034 122.820 -0.760 0.000 1.940 784 A HA -0.188 4.131 4.320 -0.001 0.000 0.219 784 A C 2.027 179.605 177.584 -0.010 0.000 1.176 784 A CA 1.345 52.986 52.037 -0.660 0.000 0.631 784 A CB -0.918 17.307 19.000 -1.291 0.000 0.814 784 A HN 0.548 nan 8.150 nan 0.000 0.446 785 F N 0.084 120.074 119.950 0.067 0.000 2.084 785 F HA -0.199 4.327 4.527 -0.001 0.000 0.296 785 F C 2.542 178.382 175.800 0.067 0.000 1.111 785 F CA 2.072 60.161 58.000 0.150 0.000 1.224 785 F CB -0.153 38.902 39.000 0.091 0.000 0.991 785 F HN 0.293 nan 8.300 nan 0.000 0.471 786 Q N 0.454 120.166 119.800 -0.146 0.000 2.077 786 Q HA -0.302 4.037 4.340 -0.001 0.000 0.206 786 Q C 2.045 177.926 176.000 -0.199 0.000 0.989 786 Q CA 2.421 58.081 55.803 -0.238 0.000 0.853 786 Q CB -1.012 27.666 28.738 -0.099 0.000 0.907 786 Q HN 0.601 nan 8.270 nan 0.000 0.418 787 F N -0.199 119.620 119.950 -0.217 0.000 2.161 787 F HA -0.223 4.304 4.527 -0.001 0.000 0.300 787 F C 1.855 177.495 175.800 -0.266 0.000 1.089 787 F CA 1.556 59.436 58.000 -0.200 0.000 1.282 787 F CB -0.290 38.645 39.000 -0.108 0.000 1.010 787 F HN 0.187 nan 8.300 nan 0.000 0.485 788 A N -0.507 122.358 122.820 0.074 0.000 1.897 788 A HA -0.055 4.264 4.320 -0.001 0.000 0.215 788 A C 2.209 179.673 177.584 -0.201 0.000 1.181 788 A CA 1.447 53.486 52.037 0.004 0.000 0.620 788 A CB -1.213 17.855 19.000 0.112 0.000 0.821 788 A HN 0.241 nan 8.150 nan 0.000 0.443 789 V N 0.937 120.627 119.914 -0.374 0.000 2.332 789 V HA -0.252 3.867 4.120 -0.001 0.000 0.248 789 V C 2.064 177.989 176.094 -0.282 0.000 1.055 789 V CA 2.326 64.404 62.300 -0.371 0.000 1.038 789 V CB -0.759 30.753 31.823 -0.519 0.000 0.651 789 V HN 0.508 nan 8.190 nan 0.000 0.450 790 D N -0.094 120.110 120.400 -0.327 0.000 2.144 790 D HA -0.092 4.547 4.640 -0.001 0.000 0.200 790 D C 1.884 177.978 176.300 -0.343 0.000 0.978 790 D CA 1.154 54.961 54.000 -0.323 0.000 0.833 790 D CB -0.169 40.408 40.800 -0.371 0.000 0.961 790 D HN 0.460 nan 8.370 nan 0.000 0.470 791 N N -0.928 117.490 118.700 -0.470 0.000 2.460 791 N HA 0.076 4.816 4.740 -0.001 0.000 0.193 791 N C 1.276 176.623 175.510 -0.272 0.000 1.080 791 N CA 0.943 53.677 53.050 -0.527 0.000 0.869 791 N CB 1.529 39.316 38.487 -1.166 0.000 1.201 791 N HN 0.196 nan 8.380 nan 0.000 0.457 792 G N 1.029 109.712 108.800 -0.195 0.000 2.132 792 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.228 792 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.228 792 G C -0.320 174.693 174.900 0.189 0.000 1.000 792 G CA 0.825 45.935 45.100 0.016 0.000 0.693 792 G HN 0.529 nan 8.290 nan 0.000 0.515 793 Y N -2.805 117.584 120.300 0.148 0.000 2.818 793 Y HA 0.717 5.266 4.550 -0.001 0.000 0.341 793 Y C -0.822 175.280 175.900 0.336 0.000 1.283 793 Y CA -1.624 56.600 58.100 0.208 0.000 1.075 793 Y CB 0.233 38.802 38.460 0.182 0.000 1.370 793 Y HN -0.007 nan 8.280 nan 0.000 0.448 794 D N 0.521 121.205 120.400 0.472 0.000 2.312 794 D HA 0.105 4.744 4.640 -0.001 0.000 0.248 794 D C -0.489 175.784 176.300 -0.045 0.000 1.086 794 D CA -0.062 54.091 54.000 0.254 0.000 0.948 794 D CB 0.561 41.522 40.800 0.268 0.000 1.162 794 D HN 0.677 nan 8.370 nan 0.000 0.446 795 H N 2.168 120.857 119.070 -0.635 0.000 2.928 795 H HA 0.003 4.559 4.556 -0.001 0.000 0.338 795 H C -1.611 173.505 175.328 -0.355 0.000 1.047 795 H CA -0.952 54.395 56.048 -1.167 0.000 1.435 795 H CB 1.233 30.488 29.762 -0.844 0.000 1.428 795 H HN 0.082 nan 8.280 nan 0.000 0.590 796 P HA -0.149 nan 4.420 nan 0.000 0.221 796 P C 1.050 178.491 177.300 0.235 0.000 1.145 796 P CA 1.420 64.536 63.100 0.026 0.000 0.795 796 P CB 0.262 31.932 31.700 -0.051 0.000 0.775 797 D N -1.700 119.005 120.400 0.509 0.000 2.144 797 D HA -0.218 4.421 4.640 -0.001 0.000 0.199 797 D C 1.912 178.410 176.300 0.331 0.000 0.984 797 D CA 0.883 55.099 54.000 0.361 0.000 0.834 797 D CB -0.464 40.467 40.800 0.217 0.000 0.955 797 D HN 0.069 nan 8.370 nan 0.000 0.465 798 Y N 0.373 120.822 120.300 0.247 0.000 2.130 798 Y HA -0.111 4.438 4.550 -0.001 0.000 0.287 798 Y C 2.395 178.411 175.900 0.192 0.000 1.124 798 Y CA 2.045 60.252 58.100 0.179 0.000 1.118 798 Y CB -0.534 37.989 38.460 0.105 0.000 0.994 798 Y HN -0.043 nan 8.280 nan 0.000 0.497 799 T N -0.628 114.103 114.554 0.295 0.000 2.857 799 T HA -0.106 4.243 4.350 -0.001 0.000 0.266 799 T C 0.760 175.534 174.700 0.123 0.000 1.048 799 T CA 1.672 63.897 62.100 0.208 0.000 1.139 799 T CB -0.288 68.732 68.868 0.253 0.000 0.874 799 T HN 0.258 nan 8.240 nan 0.000 0.455 800 D N -0.189 120.294 120.400 0.138 0.000 2.358 800 D HA 0.175 4.814 4.640 -0.001 0.000 0.224 800 D C -0.319 176.055 176.300 0.123 0.000 1.123 800 D CA -0.446 53.609 54.000 0.091 0.000 0.833 800 D CB 0.020 40.856 40.800 0.061 0.000 0.946 800 D HN 0.451 nan 8.370 nan 0.000 0.505 801 W N 2.079 123.355 121.300 -0.040 0.000 2.216 801 W HA 0.289 4.949 4.660 -0.001 0.000 0.326 801 W C -0.358 176.146 176.519 -0.024 0.000 1.319 801 W CA -0.684 56.644 57.345 -0.028 0.000 1.213 801 W CB 0.630 30.063 29.460 -0.045 0.000 1.171 801 W HN -0.189 nan 8.180 nan 0.000 0.557 802 V N 5.866 125.283 119.914 -0.829 0.000 2.444 802 V HA 0.319 4.439 4.120 -0.001 0.000 0.294 802 V C -0.638 174.691 176.094 -1.274 0.000 1.022 802 V CA -1.488 60.239 62.300 -0.955 0.000 0.850 802 V CB 0.451 32.003 31.823 -0.452 0.000 0.992 802 V HN 0.589 nan 8.190 nan 0.000 0.426 803 Y N 4.724 124.155 120.300 -1.448 0.000 2.969 803 Y HA -0.006 4.543 4.550 -0.001 0.000 0.339 803 Y C 1.952 177.733 175.900 -0.198 0.000 1.272 803 Y CA 0.918 58.689 58.100 -0.549 0.000 1.577 803 Y CB 1.037 39.512 38.460 0.026 0.000 1.234 803 Y HN 1.102 nan 8.280 nan 0.000 0.590 804 S N 2.598 117.917 115.700 -0.636 0.000 2.420 804 S HA -0.188 4.282 4.470 -0.001 0.000 0.237 804 S C 2.030 176.374 174.600 -0.427 0.000 1.023 804 S CA 1.079 59.010 58.200 -0.449 0.000 0.991 804 S CB -0.946 62.056 63.200 -0.329 0.000 0.792 804 S HN 0.924 nan 8.310 nan 0.000 0.488 805 G N 0.763 109.154 108.800 -0.681 0.000 2.598 805 G HA2 0.173 4.133 3.960 -0.001 0.000 0.215 805 G HA3 0.173 4.133 3.960 -0.001 0.000 0.215 805 G C 0.374 175.284 174.900 0.015 0.000 1.131 805 G CA 0.312 45.347 45.100 -0.107 0.000 0.785 805 G HN 0.487 nan 8.290 nan 0.000 0.539 806 V N 1.357 121.259 119.914 -0.020 0.000 2.488 806 V HA 0.132 4.252 4.120 -0.001 0.000 0.277 806 V C 0.091 176.178 176.094 -0.011 0.000 1.046 806 V CA -0.999 61.306 62.300 0.008 0.000 0.986 806 V CB 1.230 33.043 31.823 -0.017 0.000 0.989 806 V HN 0.164 nan 8.190 nan 0.000 0.475 807 N N 3.680 122.400 118.700 0.034 0.000 2.466 807 N HA 0.044 4.783 4.740 -0.001 0.000 0.263 807 N C 1.350 176.894 175.510 0.056 0.000 1.178 807 N CA 0.317 53.387 53.050 0.034 0.000 0.983 807 N CB 0.894 39.402 38.487 0.035 0.000 1.331 807 N HN 0.842 nan 8.380 nan 0.000 0.500 808 T N -0.907 113.650 114.554 0.004 0.000 3.055 808 T HA -0.045 4.304 4.350 -0.001 0.000 0.265 808 T C 1.045 175.748 174.700 0.004 0.000 1.111 808 T CA 0.432 62.526 62.100 -0.011 0.000 1.118 808 T CB 0.087 68.928 68.868 -0.044 0.000 0.909 808 T HN 0.196 nan 8.240 nan 0.000 0.501 809 D N 1.822 122.229 120.400 0.012 0.000 2.116 809 D HA -0.036 4.603 4.640 -0.001 0.000 0.193 809 D C 1.008 177.330 176.300 0.038 0.000 0.998 809 D CA 1.129 55.138 54.000 0.016 0.000 0.836 809 D CB -0.143 40.661 40.800 0.007 0.000 0.951 809 D HN 0.516 nan 8.370 nan 0.000 0.449 810 K N 1.170 121.620 120.400 0.084 0.000 2.319 810 K HA 0.048 4.367 4.320 -0.001 0.000 0.265 810 K C 1.332 178.019 176.600 0.145 0.000 1.000 810 K CA -0.327 56.048 56.287 0.146 0.000 0.943 810 K CB 0.980 33.640 32.500 0.267 0.000 0.950 810 K HN -0.127 nan 8.250 nan 0.000 0.485 811 K N 1.040 121.524 120.400 0.140 0.000 2.002 811 K HA -0.111 4.209 4.320 -0.001 0.000 0.209 811 K C 1.579 178.199 176.600 0.034 0.000 1.048 811 K CA 1.638 57.970 56.287 0.074 0.000 0.930 811 K CB -0.472 32.064 32.500 0.059 0.000 0.714 811 K HN 0.863 nan 8.250 nan 0.000 0.438 812 G N 0.149 108.974 108.800 0.042 0.000 3.562 812 G HA2 0.269 4.228 3.960 -0.001 0.000 0.279 812 G HA3 0.269 4.228 3.960 -0.001 0.000 0.279 812 G C 1.013 175.650 174.900 -0.439 0.000 1.314 812 G CA 0.459 45.485 45.100 -0.122 0.000 1.189 812 G HN 0.261 nan 8.290 nan 0.000 0.562 813 A N -0.594 122.022 122.820 -0.341 0.000 1.975 813 A HA 0.565 4.884 4.320 -0.001 0.000 0.215 813 A C 0.911 178.403 177.584 -0.153 0.000 1.170 813 A CA 0.898 52.765 52.037 -0.283 0.000 0.656 813 A CB 0.411 19.355 19.000 -0.093 0.000 0.821 813 A HN 0.294 nan 8.150 nan 0.000 0.449 814 V N 0.000 119.836 119.914 -0.130 0.000 2.409 814 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 814 V CA 0.000 62.218 62.300 -0.137 0.000 1.235 814 V CB 0.000 31.753 31.823 -0.117 0.000 1.184 814 V HN 0.000 nan 8.190 nan 0.000 0.556