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_B 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 0.000 174.734 174.700 0.056 0.000 1.109 2 T CA 0.000 62.141 62.100 0.068 0.000 1.349 2 T CB 0.000 68.914 68.868 0.076 0.000 0.612 3 S N 3.065 118.799 115.700 0.056 0.000 2.558 3 S HA 0.356 4.831 4.470 0.008 0.000 0.291 3 S C -1.940 172.696 174.600 0.060 0.000 1.306 3 S CA -0.455 57.777 58.200 0.053 0.000 1.056 3 S CB -0.347 62.895 63.200 0.070 0.000 0.836 3 S HN 0.772 nan 8.310 nan 0.000 0.504 4 P HA 0.158 nan 4.420 nan 0.000 0.271 4 P C -0.879 176.454 177.300 0.055 0.000 1.218 4 P CA -0.414 62.714 63.100 0.048 0.000 0.780 4 P CB 0.330 32.053 31.700 0.038 0.000 0.901 5 V N 4.690 124.636 119.914 0.053 0.000 2.389 5 V HA 0.174 4.299 4.120 0.008 0.000 0.264 5 V C 0.726 176.836 176.094 0.027 0.000 1.049 5 V CA 0.017 62.349 62.300 0.053 0.000 0.932 5 V CB -0.306 31.552 31.823 0.059 0.000 1.011 5 V HN 0.381 nan 8.190 nan 0.000 0.475 6 I N 4.595 125.172 120.570 0.012 0.000 2.441 6 I HA 0.725 4.900 4.170 0.008 0.000 0.295 6 I C 1.027 177.123 176.117 -0.035 0.000 0.994 6 I CA 0.215 61.511 61.300 -0.007 0.000 1.144 6 I CB 1.603 39.601 38.000 -0.003 0.000 1.314 6 I HN 0.818 nan 8.210 nan 0.000 0.445 7 G N 4.570 113.347 108.800 -0.038 0.000 2.552 7 G HA2 -0.238 3.727 3.960 0.008 0.000 0.265 7 G HA3 -0.238 3.727 3.960 0.008 0.000 0.265 7 G C -0.008 174.859 174.900 -0.054 0.000 1.234 7 G CA 0.113 45.179 45.100 -0.056 0.000 0.944 7 G HN 0.848 nan 8.290 nan 0.000 0.568 8 T N -0.336 114.174 114.554 -0.073 0.000 3.150 8 T HA 0.663 5.018 4.350 0.008 0.000 0.383 8 T C -2.376 172.274 174.700 -0.083 0.000 1.313 8 T CA -0.684 61.387 62.100 -0.048 0.000 1.235 8 T CB 2.313 71.167 68.868 -0.023 0.000 1.088 8 T HN 0.661 nan 8.240 nan 0.000 0.556 9 P HA 0.187 nan 4.420 nan 0.000 0.278 9 P C -0.368 176.782 177.300 -0.249 0.000 1.238 9 P CA -0.133 62.683 63.100 -0.473 0.000 0.794 9 P CB 0.325 31.614 31.700 -0.685 0.000 0.955 10 W N -0.001 121.478 121.300 0.298 0.000 5.563 10 W HA -0.167 4.497 4.660 0.008 0.000 0.396 10 W C -0.083 176.507 176.519 0.118 0.000 1.519 10 W CA -0.135 57.272 57.345 0.103 0.000 0.953 10 W CB -2.031 27.392 29.460 -0.061 0.000 2.691 10 W HN 0.202 nan 8.180 nan 0.000 1.444 11 K N 1.144 121.815 120.400 0.452 0.000 2.244 11 K HA 0.458 4.783 4.320 0.008 0.000 0.260 11 K C 0.499 177.449 176.600 0.583 0.000 0.951 11 K CA -0.974 55.534 56.287 0.368 0.000 0.826 11 K CB 1.454 34.103 32.500 0.249 0.000 1.108 11 K HN 0.018 nan 8.250 nan 0.000 0.433 12 K N 1.660 122.283 120.400 0.371 0.000 2.126 12 K HA 0.145 4.470 4.320 0.008 0.000 0.257 12 K C 1.202 177.983 176.600 0.302 0.000 1.007 12 K CA -0.491 56.038 56.287 0.402 0.000 0.928 12 K CB 0.755 33.376 32.500 0.201 0.000 1.013 12 K HN 0.210 nan 8.250 nan 0.000 0.473 13 L N 2.337 123.738 121.223 0.297 0.000 2.131 13 L HA -0.047 4.298 4.340 0.008 0.000 0.206 13 L C -0.138 176.758 176.870 0.044 0.000 1.087 13 L CA 1.515 56.373 54.840 0.030 0.000 0.767 13 L CB -0.731 41.336 42.059 0.013 0.000 0.917 13 L HN 0.817 nan 8.230 nan 0.000 0.441 14 N N -1.007 117.746 118.700 0.088 0.000 2.708 14 N HA -0.170 4.575 4.740 0.008 0.000 0.249 14 N C -0.287 175.248 175.510 0.040 0.000 1.097 14 N CA 0.394 53.480 53.050 0.060 0.000 0.710 14 N CB -1.040 37.475 38.487 0.047 0.000 1.032 14 N HN 0.535 nan 8.380 nan 0.000 0.551 15 A N -0.883 121.964 122.820 0.044 0.000 2.599 15 A HA 0.627 4.951 4.320 0.008 0.000 0.294 15 A C -2.620 174.993 177.584 0.050 0.000 1.055 15 A CA -1.084 50.974 52.037 0.035 0.000 0.683 15 A CB 1.192 20.200 19.000 0.014 0.000 1.278 15 A HN -0.015 nan 8.150 nan 0.000 0.412 16 P HA 0.348 nan 4.420 nan 0.000 0.272 16 P C -0.071 177.263 177.300 0.057 0.000 1.223 16 P CA -0.084 63.054 63.100 0.063 0.000 0.784 16 P CB 0.523 32.259 31.700 0.060 0.000 0.923 17 V N 1.965 121.924 119.914 0.075 0.000 2.655 17 V HA 0.021 4.146 4.120 0.008 0.000 0.300 17 V C 1.324 177.443 176.094 0.041 0.000 1.044 17 V CA 0.138 62.475 62.300 0.062 0.000 1.095 17 V CB 0.353 32.231 31.823 0.093 0.000 0.952 17 V HN 0.809 nan 8.190 nan 0.000 0.485 18 S N 2.861 118.572 115.700 0.017 0.000 2.564 18 S HA 0.134 4.609 4.470 0.008 0.000 0.278 18 S C 0.984 175.588 174.600 0.006 0.000 1.333 18 S CA -0.137 58.069 58.200 0.011 0.000 1.048 18 S CB 1.232 64.431 63.200 -0.002 0.000 0.900 18 S HN 0.781 nan 8.310 nan 0.000 0.505 19 E N 1.637 121.846 120.200 0.015 0.000 2.130 19 E HA -0.267 4.088 4.350 0.008 0.000 0.196 19 E C 1.881 178.473 176.600 -0.014 0.000 0.998 19 E CA 2.175 58.584 56.400 0.015 0.000 0.806 19 E CB -0.336 29.380 29.700 0.026 0.000 0.738 19 E HN 0.924 nan 8.360 nan 0.000 0.459 20 E N -0.253 119.937 120.200 -0.017 0.000 2.072 20 E HA -0.205 4.150 4.350 0.008 0.000 0.191 20 E C 2.018 178.578 176.600 -0.068 0.000 0.985 20 E CA 1.179 57.560 56.400 -0.031 0.000 0.801 20 E CB -0.333 29.358 29.700 -0.014 0.000 0.750 20 E HN 0.282 nan 8.360 nan 0.000 0.452 21 A N 1.595 124.375 122.820 -0.066 0.000 1.908 21 A HA -0.142 4.183 4.320 0.008 0.000 0.218 21 A C 2.311 179.715 177.584 -0.300 0.000 1.181 21 A CA 1.421 53.393 52.037 -0.109 0.000 0.627 21 A CB -0.641 18.328 19.000 -0.051 0.000 0.818 21 A HN 0.353 nan 8.150 nan 0.000 0.445 22 L N -1.109 119.980 121.223 -0.224 0.000 2.109 22 L HA -0.142 4.203 4.340 0.008 0.000 0.207 22 L C 2.532 179.215 176.870 -0.311 0.000 1.086 22 L CA 1.334 56.005 54.840 -0.282 0.000 0.760 22 L CB -0.648 41.370 42.059 -0.068 0.000 0.910 22 L HN 0.465 nan 8.230 nan 0.000 0.437 23 E N 0.360 120.454 120.200 -0.177 0.000 2.118 23 E HA -0.186 4.169 4.350 0.008 0.000 0.195 23 E C 2.207 178.662 176.600 -0.242 0.000 0.992 23 E CA 1.088 57.403 56.400 -0.141 0.000 0.804 23 E CB -0.330 29.334 29.700 -0.061 0.000 0.741 23 E HN 0.551 nan 8.360 nan 0.000 0.458 24 G N 1.036 109.636 108.800 -0.334 0.000 2.491 24 G HA2 -0.288 3.677 3.960 0.008 0.000 0.218 24 G HA3 -0.288 3.677 3.960 0.008 0.000 0.218 24 G C 1.752 176.080 174.900 -0.953 0.000 1.180 24 G CA 1.001 45.800 45.100 -0.502 0.000 0.774 24 G HN 0.160 nan 8.290 nan 0.000 0.562 25 V N 1.057 120.224 119.914 -1.245 0.000 2.407 25 V HA -0.159 3.966 4.120 0.008 0.000 0.248 25 V C 2.486 178.136 176.094 -0.740 0.000 1.055 25 V CA 2.293 63.839 62.300 -1.257 0.000 1.049 25 V CB -0.381 30.617 31.823 -1.376 0.000 0.662 25 V HN 0.387 nan 8.190 nan 0.000 0.455 26 D N -0.038 119.980 120.400 -0.638 0.000 2.117 26 D HA -0.149 4.496 4.640 0.008 0.000 0.198 26 D C 2.235 178.569 176.300 0.056 0.000 0.982 26 D CA 1.231 55.144 54.000 -0.145 0.000 0.828 26 D CB -0.069 40.778 40.800 0.078 0.000 0.967 26 D HN 0.356 nan 8.370 nan 0.000 0.464 27 K N -0.897 119.474 120.400 -0.049 0.000 2.063 27 K HA -0.204 4.121 4.320 0.008 0.000 0.208 27 K C 2.163 178.776 176.600 0.021 0.000 1.048 27 K CA 1.213 57.490 56.287 -0.016 0.000 0.928 27 K CB -0.408 32.065 32.500 -0.045 0.000 0.713 27 K HN 0.277 nan 8.250 nan 0.000 0.442 28 Y N -0.025 120.244 120.300 -0.051 0.000 2.165 28 Y HA -0.303 4.251 4.550 0.008 0.000 0.286 28 Y C 2.193 178.150 175.900 0.094 0.000 1.155 28 Y CA 1.665 59.798 58.100 0.055 0.000 1.164 28 Y CB -0.198 38.346 38.460 0.140 0.000 0.978 28 Y HN 0.226 nan 8.280 nan 0.000 0.513 29 W N 1.697 123.047 121.300 0.082 0.000 2.379 29 W HA -0.120 4.545 4.660 0.008 0.000 0.307 29 W C 2.309 178.824 176.519 -0.005 0.000 1.200 29 W CA 2.038 59.429 57.345 0.077 0.000 1.297 29 W CB -0.619 28.891 29.460 0.083 0.000 1.140 29 W HN -0.008 nan 8.180 nan 0.000 0.507 30 R N -0.392 120.142 120.500 0.057 0.000 2.083 30 R HA -0.175 4.170 4.340 0.008 0.000 0.237 30 R C 2.259 178.473 176.300 -0.143 0.000 1.137 30 R CA 1.990 58.065 56.100 -0.042 0.000 0.951 30 R CB -1.423 28.930 30.300 0.089 0.000 0.851 30 R HN 0.141 nan 8.270 nan 0.000 0.434 31 V N 0.740 120.564 119.914 -0.150 0.000 2.548 31 V HA -0.133 3.992 4.120 0.008 0.000 0.249 31 V C 2.127 178.134 176.094 -0.145 0.000 1.055 31 V CA 1.788 63.987 62.300 -0.169 0.000 1.065 31 V CB -0.205 31.431 31.823 -0.312 0.000 0.681 31 V HN 0.438 nan 8.190 nan 0.000 0.462 32 A N 0.176 122.828 122.820 -0.279 0.000 1.898 32 A HA -0.195 4.130 4.320 0.008 0.000 0.216 32 A C 2.002 179.509 177.584 -0.129 0.000 1.181 32 A CA 1.910 53.808 52.037 -0.232 0.000 0.620 32 A CB -0.718 18.095 19.000 -0.312 0.000 0.819 32 A HN 0.623 nan 8.150 nan 0.000 0.442 33 N N -1.157 117.417 118.700 -0.210 0.000 2.069 33 N HA -0.194 4.550 4.740 0.008 0.000 0.191 33 N C 1.609 176.849 175.510 -0.449 0.000 1.031 33 N CA 1.818 54.697 53.050 -0.285 0.000 0.852 33 N CB -0.760 37.387 38.487 -0.566 0.000 1.018 33 N HN 0.664 nan 8.380 nan 0.000 0.423 34 Y N 1.108 121.010 120.300 -0.665 0.000 2.165 34 Y HA -0.149 4.406 4.550 0.008 0.000 0.286 34 Y C 1.950 177.684 175.900 -0.277 0.000 1.155 34 Y CA 1.111 58.922 58.100 -0.482 0.000 1.164 34 Y CB -0.201 38.149 38.460 -0.183 0.000 0.978 34 Y HN -0.061 nan 8.280 nan 0.000 0.513 35 L N -0.611 120.664 121.223 0.087 0.000 2.191 35 L HA -0.192 4.153 4.340 0.008 0.000 0.212 35 L C 2.474 179.220 176.870 -0.207 0.000 1.103 35 L CA 1.666 56.607 54.840 0.167 0.000 0.769 35 L CB -1.275 40.978 42.059 0.324 0.000 0.908 35 L HN 0.182 nan 8.230 nan 0.000 0.438 36 S N -0.812 114.751 115.700 -0.227 0.000 2.377 36 S HA 0.029 4.504 4.470 0.008 0.000 0.223 36 S C 1.965 176.370 174.600 -0.325 0.000 1.030 36 S CA 0.671 58.739 58.200 -0.219 0.000 0.970 36 S CB -0.019 63.181 63.200 -0.000 0.000 0.830 36 S HN 0.329 nan 8.310 nan 0.000 0.473 37 I N 1.609 121.904 120.570 -0.458 0.000 2.286 37 I HA -0.108 4.067 4.170 0.008 0.000 0.248 37 I C 2.633 178.328 176.117 -0.704 0.000 1.115 37 I CA 1.129 62.043 61.300 -0.643 0.000 1.392 37 I CB -0.757 36.543 38.000 -1.167 0.000 1.065 37 I HN 0.346 nan 8.210 nan 0.000 0.418 38 G N 0.019 108.128 108.800 -1.151 0.000 2.418 38 G HA2 -0.241 3.724 3.960 0.008 0.000 0.217 38 G HA3 -0.241 3.724 3.960 0.008 0.000 0.217 38 G C 1.589 175.722 174.900 -1.278 0.000 1.158 38 G CA 0.395 44.420 45.100 -1.792 0.000 0.771 38 G HN 0.389 nan 8.290 nan 0.000 0.545 39 Q N -0.397 118.812 119.800 -0.984 0.000 2.135 39 Q HA -0.009 4.336 4.340 0.008 0.000 0.204 39 Q C 2.544 178.421 176.000 -0.205 0.000 0.981 39 Q CA 1.012 56.511 55.803 -0.508 0.000 0.856 39 Q CB -0.140 28.137 28.738 -0.770 0.000 0.902 39 Q HN 0.540 nan 8.270 nan 0.000 0.425 40 I N -1.339 119.084 120.570 -0.245 0.000 2.333 40 I HA -0.208 3.967 4.170 0.008 0.000 0.246 40 I C 1.319 177.294 176.117 -0.237 0.000 1.106 40 I CA 1.024 62.249 61.300 -0.124 0.000 1.411 40 I CB 0.093 37.990 38.000 -0.171 0.000 1.082 40 I HN 0.171 nan 8.210 nan 0.000 0.420 41 Y N -0.112 120.055 120.300 -0.222 0.000 2.503 41 Y HA 0.283 4.838 4.550 0.008 0.000 0.277 41 Y C 0.688 176.525 175.900 -0.104 0.000 1.102 41 Y CA 0.095 58.099 58.100 -0.160 0.000 1.261 41 Y CB 0.437 38.764 38.460 -0.222 0.000 1.096 41 Y HN -0.107 nan 8.280 nan 0.000 0.546 42 L N 1.950 123.171 121.223 -0.003 0.000 2.287 42 L HA 0.363 4.708 4.340 0.008 0.000 0.287 42 L C 1.022 177.945 176.870 0.088 0.000 1.022 42 L CA -0.398 54.488 54.840 0.076 0.000 0.814 42 L CB 1.731 43.853 42.059 0.106 0.000 1.217 42 L HN 0.201 nan 8.230 nan 0.000 0.420 43 R N 1.215 121.761 120.500 0.077 0.000 2.210 43 R HA 0.163 4.508 4.340 0.008 0.000 0.203 43 R C 0.394 176.720 176.300 0.043 0.000 1.010 43 R CA 0.369 56.485 56.100 0.027 0.000 1.008 43 R CB 0.287 30.619 30.300 0.052 0.000 0.923 43 R HN 0.612 nan 8.270 nan 0.000 0.469 44 S N -0.791 114.969 115.700 0.099 0.000 2.672 44 S HA 0.214 4.689 4.470 0.008 0.000 0.271 44 S C -0.751 173.943 174.600 0.156 0.000 1.171 44 S CA -0.680 57.575 58.200 0.092 0.000 0.817 44 S CB 0.949 64.185 63.200 0.060 0.000 1.150 44 S HN 0.212 nan 8.310 nan 0.000 0.478 45 N N 1.290 120.055 118.700 0.109 0.000 2.708 45 N HA -0.081 4.664 4.740 0.008 0.000 0.255 45 N C -1.474 174.104 175.510 0.114 0.000 1.046 45 N CA 0.854 53.980 53.050 0.126 0.000 0.715 45 N CB -0.617 38.018 38.487 0.246 0.000 0.895 45 N HN 0.521 nan 8.380 nan 0.000 0.545 46 P HA -0.123 nan 4.420 nan 0.000 0.219 46 P C 1.161 178.510 177.300 0.081 0.000 1.146 46 P CA 1.024 64.194 63.100 0.117 0.000 0.808 46 P CB 0.202 31.656 31.700 -0.410 0.000 0.779 47 L N -1.242 119.918 121.223 -0.106 0.000 2.818 47 L HA 0.318 4.663 4.340 0.008 0.000 0.243 47 L C 0.801 177.559 176.870 -0.188 0.000 1.185 47 L CA -0.201 54.531 54.840 -0.180 0.000 0.988 47 L CB -0.663 41.213 42.059 -0.306 0.000 1.292 47 L HN -0.180 nan 8.230 nan 0.000 0.519 48 M N -0.550 118.882 119.600 -0.280 0.000 2.393 48 M HA -0.246 4.239 4.480 0.008 0.000 0.201 48 M C 0.009 176.237 176.300 -0.121 0.000 0.403 48 M CA 0.697 55.704 55.300 -0.487 0.000 0.471 48 M CB -1.690 30.408 32.600 -0.836 0.000 1.669 48 M HN 0.120 nan 8.290 nan 0.000 0.864 49 K N 1.612 121.994 120.400 -0.030 0.000 2.436 49 K HA 0.157 4.482 4.320 0.008 0.000 0.275 49 K C 0.426 177.075 176.600 0.081 0.000 0.999 49 K CA 0.229 56.526 56.287 0.015 0.000 0.980 49 K CB 0.512 33.018 32.500 0.011 0.000 0.919 49 K HN 0.161 nan 8.250 nan 0.000 0.484 50 E N 3.954 124.195 120.200 0.068 0.000 2.465 50 E HA -0.000 4.355 4.350 0.008 0.000 0.260 50 E C -2.017 174.630 176.600 0.078 0.000 0.980 50 E CA -1.002 55.451 56.400 0.088 0.000 0.927 50 E CB 0.325 30.060 29.700 0.058 0.000 0.934 50 E HN 0.259 nan 8.360 nan 0.000 0.459 51 P HA 0.205 nan 4.420 nan 0.000 0.290 51 P C -1.416 176.005 177.300 0.200 0.000 1.275 51 P CA -0.431 62.740 63.100 0.118 0.000 0.841 51 P CB 0.595 32.329 31.700 0.056 0.000 1.042 52 F N 2.521 122.523 119.950 0.087 0.000 2.388 52 F HA 0.469 5.001 4.527 0.008 0.000 0.358 52 F C -0.077 175.847 175.800 0.205 0.000 1.122 52 F CA 0.003 58.096 58.000 0.155 0.000 1.056 52 F CB 1.275 40.386 39.000 0.185 0.000 1.155 52 F HN 0.447 nan 8.300 nan 0.000 0.461 53 T N 1.841 116.126 114.554 -0.448 0.000 2.865 53 T HA 0.384 4.739 4.350 0.008 0.000 0.294 53 T C 0.944 174.931 174.700 -1.189 0.000 1.119 53 T CA -1.005 60.594 62.100 -0.835 0.000 1.007 53 T CB 1.907 70.512 68.868 -0.437 0.000 1.225 53 T HN 0.703 nan 8.240 nan 0.000 0.515 54 R N 0.082 119.711 120.500 -1.451 0.000 2.185 54 R HA -0.157 4.188 4.340 0.008 0.000 0.247 54 R C 1.997 178.040 176.300 -0.429 0.000 1.159 54 R CA 1.739 57.338 56.100 -0.836 0.000 0.988 54 R CB -0.355 29.602 30.300 -0.572 0.000 0.871 54 R HN 0.738 nan 8.270 nan 0.000 0.458 55 E N 1.014 120.989 120.200 -0.374 0.000 2.204 55 E HA -0.169 4.186 4.350 0.008 0.000 0.195 55 E C 0.852 177.357 176.600 -0.158 0.000 0.990 55 E CA 1.299 57.568 56.400 -0.217 0.000 0.821 55 E CB -0.080 29.526 29.700 -0.156 0.000 0.750 55 E HN 0.212 nan 8.360 nan 0.000 0.477 56 D N -0.571 119.731 120.400 -0.163 0.000 2.349 56 D HA 0.005 4.650 4.640 0.008 0.000 0.224 56 D C -0.237 176.072 176.300 0.014 0.000 1.029 56 D CA 0.143 54.129 54.000 -0.023 0.000 0.879 56 D CB 0.420 41.266 40.800 0.077 0.000 0.906 56 D HN 0.020 nan 8.370 nan 0.000 0.528 57 V N 1.497 121.378 119.914 -0.056 0.000 2.567 57 V HA 0.084 4.209 4.120 0.008 0.000 0.289 57 V C 0.750 176.806 176.094 -0.063 0.000 1.049 57 V CA -0.850 61.455 62.300 0.009 0.000 0.969 57 V CB 1.779 33.634 31.823 0.054 0.000 0.995 57 V HN -0.134 nan 8.190 nan 0.000 0.471 58 K N 3.193 123.599 120.400 0.010 0.000 2.469 58 K HA 0.078 4.403 4.320 0.008 0.000 0.274 58 K C 1.037 177.622 176.600 -0.025 0.000 0.983 58 K CA -0.199 56.108 56.287 0.034 0.000 0.974 58 K CB 0.364 32.917 32.500 0.088 0.000 0.913 58 K HN 0.670 nan 8.250 nan 0.000 0.493 59 H N 1.979 121.086 119.070 0.061 0.000 2.395 59 H HA -0.019 4.542 4.556 0.008 0.000 0.299 59 H C 0.090 175.422 175.328 0.006 0.000 1.070 59 H CA 1.166 57.230 56.048 0.027 0.000 1.356 59 H CB 0.427 30.200 29.762 0.017 0.000 1.401 59 H HN 0.294 nan 8.280 nan 0.000 0.524 60 R N 1.116 121.685 120.500 0.114 0.000 2.388 60 R HA 0.359 4.704 4.340 0.008 0.000 0.314 60 R C -0.796 175.498 176.300 -0.009 0.000 0.959 60 R CA -0.404 55.714 56.100 0.031 0.000 0.851 60 R CB 1.758 32.057 30.300 -0.002 0.000 1.168 60 R HN -0.018 nan 8.270 nan 0.000 0.472 61 L N 3.866 125.055 121.223 -0.057 0.000 2.315 61 L HA 0.390 4.735 4.340 0.008 0.000 0.283 61 L C -0.403 176.385 176.870 -0.137 0.000 1.089 61 L CA -0.543 54.207 54.840 -0.149 0.000 0.833 61 L CB 1.049 42.967 42.059 -0.235 0.000 1.170 61 L HN 0.282 nan 8.230 nan 0.000 0.442 62 V N 2.765 122.606 119.914 -0.121 0.000 2.686 62 V HA 0.943 5.068 4.120 0.008 0.000 0.306 62 V C 0.172 176.232 176.094 -0.058 0.000 1.065 62 V CA -0.280 61.961 62.300 -0.099 0.000 0.894 62 V CB 1.829 33.606 31.823 -0.076 0.000 1.004 62 V HN 0.973 nan 8.190 nan 0.000 0.424 63 G N 3.504 112.228 108.800 -0.127 0.000 2.347 63 G HA2 0.283 4.248 3.960 0.008 0.000 0.321 63 G HA3 0.283 4.248 3.960 0.008 0.000 0.321 63 G C -1.776 172.985 174.900 -0.231 0.000 1.412 63 G CA -0.958 44.173 45.100 0.051 0.000 0.990 63 G HN 0.815 nan 8.290 nan 0.000 0.637 64 H N 0.019 119.192 119.070 0.172 0.000 2.646 64 H HA 0.402 4.963 4.556 0.009 0.000 0.328 64 H C 0.413 175.841 175.328 0.167 0.000 0.998 64 H CA -0.697 55.411 56.048 0.100 0.000 1.225 64 H CB 1.585 31.383 29.762 0.060 0.000 1.457 64 H HN 0.619 nan 8.280 nan 0.000 0.505 65 W N 3.794 125.169 121.300 0.126 0.000 2.481 65 W HA -0.008 4.658 4.660 0.009 0.000 0.293 65 W C 1.414 178.056 176.519 0.205 0.000 1.201 65 W CA 1.189 58.642 57.345 0.180 0.000 1.328 65 W CB -0.110 29.524 29.460 0.290 0.000 1.112 65 W HN 0.815 nan 8.180 nan 0.000 0.546 66 G N 0.803 109.617 108.800 0.024 0.000 2.649 66 G HA2 -0.452 3.513 3.960 0.008 0.000 0.220 66 G HA3 -0.452 3.513 3.960 0.008 0.000 0.220 66 G C 1.448 176.292 174.900 -0.094 0.000 1.189 66 G CA 2.179 47.275 45.100 -0.006 0.000 0.777 66 G HN 0.332 nan 8.290 nan 0.000 0.602 67 T N -0.282 114.275 114.554 0.004 0.000 2.985 67 T HA -0.020 4.335 4.350 0.008 0.000 0.266 67 T C 2.566 177.301 174.700 0.059 0.000 1.076 67 T CA 1.972 64.136 62.100 0.108 0.000 1.135 67 T CB -0.470 68.445 68.868 0.078 0.000 0.890 67 T HN 0.309 nan 8.240 nan 0.000 0.480 68 T N 2.802 117.223 114.554 -0.222 0.000 2.708 68 T HA -0.051 4.304 4.350 0.008 0.000 0.266 68 T C -0.596 173.963 174.700 -0.234 0.000 1.037 68 T CA 1.466 63.398 62.100 -0.281 0.000 1.146 68 T CB -1.175 67.485 68.868 -0.347 0.000 0.865 68 T HN 0.473 nan 8.240 nan 0.000 0.435 69 P HA 0.007 nan 4.420 nan 0.000 0.219 69 P C 1.754 179.319 177.300 0.441 0.000 1.150 69 P CA 1.178 64.311 63.100 0.055 0.000 0.814 69 P CB -0.476 31.255 31.700 0.051 0.000 0.787 70 G N 0.424 109.461 108.800 0.395 0.000 2.403 70 G HA2 -0.139 3.826 3.960 0.008 0.000 0.216 70 G HA3 -0.139 3.826 3.960 0.008 0.000 0.216 70 G C 1.680 176.647 174.900 0.113 0.000 1.154 70 G CA 0.263 45.642 45.100 0.466 0.000 0.784 70 G HN 0.201 nan 8.290 nan 0.000 0.538 71 L N 0.630 121.862 121.223 0.014 0.000 2.046 71 L HA -0.091 4.254 4.340 0.008 0.000 0.208 71 L C 2.691 179.562 176.870 0.002 0.000 1.077 71 L CA 0.866 55.658 54.840 -0.080 0.000 0.747 71 L CB -0.449 41.562 42.059 -0.080 0.000 0.896 71 L HN 0.115 nan 8.230 nan 0.000 0.432 72 N N 0.012 118.796 118.700 0.139 0.000 2.166 72 N HA -0.220 4.525 4.740 0.008 0.000 0.186 72 N C 1.741 177.393 175.510 0.238 0.000 1.019 72 N CA 1.377 54.597 53.050 0.284 0.000 0.856 72 N CB -0.395 38.332 38.487 0.399 0.000 0.993 72 N HN 0.280 nan 8.380 nan 0.000 0.426 73 F N 1.586 121.454 119.950 -0.137 0.000 2.102 73 F HA -0.086 4.446 4.527 0.008 0.000 0.298 73 F C 2.102 177.615 175.800 -0.479 0.000 1.105 73 F CA 1.089 58.694 58.000 -0.660 0.000 1.239 73 F CB -0.219 38.221 39.000 -0.934 0.000 0.991 73 F HN -0.078 nan 8.300 nan 0.000 0.474 74 L N 0.143 121.222 121.223 -0.241 0.000 2.046 74 L HA -0.228 4.117 4.340 0.008 0.000 0.208 74 L C 2.408 179.042 176.870 -0.393 0.000 1.077 74 L CA 1.337 55.908 54.840 -0.449 0.000 0.747 74 L CB -0.619 41.157 42.059 -0.471 0.000 0.896 74 L HN 0.223 nan 8.230 nan 0.000 0.432 75 I N -0.463 119.946 120.570 -0.268 0.000 2.315 75 I HA -0.177 3.998 4.170 0.008 0.000 0.248 75 I C 2.595 178.429 176.117 -0.472 0.000 1.117 75 I CA 1.227 62.373 61.300 -0.257 0.000 1.404 75 I CB -0.777 37.164 38.000 -0.097 0.000 1.071 75 I HN 0.267 nan 8.210 nan 0.000 0.419 76 G N 0.061 108.506 108.800 -0.592 0.000 2.421 76 G HA2 -0.239 3.726 3.960 0.008 0.000 0.216 76 G HA3 -0.239 3.726 3.960 0.008 0.000 0.216 76 G C 1.564 176.065 174.900 -0.666 0.000 1.171 76 G CA 0.620 45.170 45.100 -0.918 0.000 0.775 76 G HN 0.361 nan 8.290 nan 0.000 0.543 77 H N 0.296 118.961 119.070 -0.675 0.000 2.387 77 H HA 0.025 4.586 4.556 0.008 0.000 0.299 77 H C 2.728 177.703 175.328 -0.588 0.000 1.090 77 H CA 1.207 56.877 56.048 -0.630 0.000 1.332 77 H CB 0.020 29.364 29.762 -0.696 0.000 1.386 77 H HN 0.331 nan 8.280 nan 0.000 0.516 78 I N 0.779 121.069 120.570 -0.467 0.000 2.315 78 I HA -0.243 3.932 4.170 0.008 0.000 0.248 78 I C 2.266 178.320 176.117 -0.105 0.000 1.117 78 I CA 0.642 61.745 61.300 -0.329 0.000 1.404 78 I CB -0.141 37.714 38.000 -0.242 0.000 1.071 78 I HN 0.168 nan 8.210 nan 0.000 0.419 79 N N 0.664 119.244 118.700 -0.200 0.000 2.120 79 N HA -0.193 4.552 4.740 0.008 0.000 0.188 79 N C 1.990 177.447 175.510 -0.088 0.000 1.024 79 N CA 0.960 53.900 53.050 -0.184 0.000 0.852 79 N CB -0.352 37.921 38.487 -0.356 0.000 1.003 79 N HN 0.225 nan 8.380 nan 0.000 0.424 80 R N 0.752 121.287 120.500 0.059 0.000 2.083 80 R HA -0.136 4.209 4.340 0.008 0.000 0.237 80 R C 2.140 178.469 176.300 0.047 0.000 1.137 80 R CA 1.063 57.254 56.100 0.151 0.000 0.951 80 R CB -1.027 29.271 30.300 -0.002 0.000 0.851 80 R HN 0.278 nan 8.270 nan 0.000 0.434 81 F N 1.195 121.075 119.950 -0.116 0.000 2.102 81 F HA -0.145 4.388 4.527 0.009 0.000 0.298 81 F C 2.144 177.926 175.800 -0.030 0.000 1.105 81 F CA 1.477 59.447 58.000 -0.051 0.000 1.239 81 F CB -0.434 38.451 39.000 -0.192 0.000 0.991 81 F HN -0.042 nan 8.300 nan 0.000 0.474 82 I N 0.777 121.173 120.570 -0.289 0.000 2.118 82 I HA -0.370 3.805 4.170 0.008 0.000 0.241 82 I C 2.792 178.720 176.117 -0.315 0.000 1.070 82 I CA 1.458 62.537 61.300 -0.367 0.000 1.327 82 I CB -1.207 36.712 38.000 -0.134 0.000 1.034 82 I HN 0.313 nan 8.210 nan 0.000 0.405 83 A N 0.618 123.309 122.820 -0.215 0.000 1.865 83 A HA -0.263 4.062 4.320 0.008 0.000 0.217 83 A C 1.964 179.441 177.584 -0.178 0.000 1.191 83 A CA 2.299 54.229 52.037 -0.179 0.000 0.623 83 A CB -0.755 18.150 19.000 -0.158 0.000 0.826 83 A HN 0.359 nan 8.150 nan 0.000 0.444 84 D N -1.185 119.109 120.400 -0.176 0.000 2.182 84 D HA -0.106 4.539 4.640 0.008 0.000 0.201 84 D C 1.523 177.615 176.300 -0.347 0.000 0.986 84 D CA 1.267 55.127 54.000 -0.234 0.000 0.847 84 D CB -0.260 40.392 40.800 -0.247 0.000 0.942 84 D HN 0.716 nan 8.370 nan 0.000 0.467 85 H N -1.882 116.950 119.070 -0.397 0.000 2.874 85 H HA 0.273 4.834 4.556 0.009 0.000 0.264 85 H C 1.130 176.274 175.328 -0.307 0.000 1.007 85 H CA 0.590 56.411 56.048 -0.379 0.000 1.207 85 H CB 1.202 30.564 29.762 -0.668 0.000 1.487 85 H HN 0.107 nan 8.280 nan 0.000 0.505 86 G N 2.307 110.986 108.800 -0.202 0.000 2.246 86 G HA2 -0.287 3.678 3.960 0.008 0.000 0.273 86 G HA3 -0.287 3.678 3.960 0.008 0.000 0.273 86 G C 0.051 174.839 174.900 -0.187 0.000 1.055 86 G CA 0.344 45.347 45.100 -0.161 0.000 0.851 86 G HN 0.352 nan 8.290 nan 0.000 0.500 87 Q N 0.248 119.874 119.800 -0.290 0.000 2.296 87 Q HA 0.474 4.819 4.340 0.008 0.000 0.257 87 Q C 0.366 176.288 176.000 -0.130 0.000 0.942 87 Q CA -0.835 54.802 55.803 -0.277 0.000 0.939 87 Q CB 0.601 29.044 28.738 -0.492 0.000 1.198 87 Q HN 0.322 nan 8.270 nan 0.000 0.429 88 N N 2.924 121.560 118.700 -0.106 0.000 2.412 88 N HA 0.032 4.777 4.740 0.008 0.000 0.279 88 N C -1.393 174.163 175.510 0.078 0.000 1.287 88 N CA 0.478 53.514 53.050 -0.022 0.000 0.948 88 N CB 0.238 38.703 38.487 -0.036 0.000 1.255 88 N HN 0.500 nan 8.380 nan 0.000 0.485 89 T N 2.536 117.150 114.554 0.101 0.000 2.881 89 T HA 0.427 4.782 4.350 0.008 0.000 0.290 89 T C -0.633 174.116 174.700 0.081 0.000 1.000 89 T CA -0.600 61.587 62.100 0.146 0.000 0.978 89 T CB 1.392 70.394 68.868 0.223 0.000 0.997 89 T HN 0.094 nan 8.240 nan 0.000 0.443 90 V N 4.791 124.735 119.914 0.050 0.000 2.487 90 V HA 0.546 4.671 4.120 0.008 0.000 0.298 90 V C 0.228 176.325 176.094 0.004 0.000 1.028 90 V CA -1.049 61.282 62.300 0.053 0.000 0.860 90 V CB 1.422 33.280 31.823 0.059 0.000 0.991 90 V HN 0.880 nan 8.190 nan 0.000 0.427 91 I N 2.943 123.544 120.570 0.052 0.000 2.834 91 I HA 0.626 4.801 4.170 0.008 0.000 0.305 91 I C -0.827 175.339 176.117 0.081 0.000 1.008 91 I CA -0.323 60.993 61.300 0.027 0.000 1.273 91 I CB 1.160 39.185 38.000 0.042 0.000 1.432 91 I HN 0.286 nan 8.210 nan 0.000 0.557 92 I N 5.163 125.749 120.570 0.026 0.000 2.447 92 I HA 0.307 4.482 4.170 0.008 0.000 0.287 92 I C -0.446 175.707 176.117 0.060 0.000 1.023 92 I CA -0.499 60.818 61.300 0.030 0.000 1.083 92 I CB 1.708 39.621 38.000 -0.145 0.000 1.245 92 I HN 0.790 nan 8.210 nan 0.000 0.434 93 M N 5.766 125.507 119.600 0.236 0.000 2.206 93 M HA 0.321 4.806 4.480 0.008 0.000 0.353 93 M C 1.009 177.466 176.300 0.261 0.000 1.242 93 M CA -0.144 55.264 55.300 0.180 0.000 1.179 93 M CB 0.802 33.475 32.600 0.122 0.000 1.374 93 M HN 0.765 nan 8.290 nan 0.000 0.427 94 G N 4.587 113.471 108.800 0.139 0.000 2.421 94 G HA2 -0.048 3.917 3.960 0.008 0.000 0.216 94 G HA3 -0.048 3.917 3.960 0.008 0.000 0.216 94 G C -1.871 173.165 174.900 0.228 0.000 1.171 94 G CA 0.198 45.416 45.100 0.198 0.000 0.775 94 G HN 0.547 nan 8.290 nan 0.000 0.543 95 P HA 0.249 nan 4.420 nan 0.000 0.238 95 P C 0.915 178.073 177.300 -0.237 0.000 1.794 95 P CA -0.026 63.039 63.100 -0.059 0.000 1.088 95 P CB 0.580 32.216 31.700 -0.107 0.000 1.923 96 G N 1.783 110.612 108.800 0.048 0.000 2.509 96 G HA2 -0.219 3.746 3.960 0.008 0.000 0.218 96 G HA3 -0.219 3.746 3.960 0.008 0.000 0.218 96 G C 1.220 176.007 174.900 -0.188 0.000 1.124 96 G CA 0.186 45.370 45.100 0.140 0.000 0.776 96 G HN 0.522 nan 8.290 nan 0.000 0.547 97 H N 0.121 118.957 119.070 -0.390 0.000 2.543 97 H HA 0.009 4.570 4.556 0.009 0.000 0.286 97 H C 2.060 177.246 175.328 -0.237 0.000 1.037 97 H CA 0.665 56.260 56.048 -0.756 0.000 1.250 97 H CB -0.692 28.593 29.762 -0.794 0.000 1.373 97 H HN 0.210 nan 8.280 nan 0.000 0.580 98 G N 0.902 109.437 108.800 -0.441 0.000 3.295 98 G HA2 0.099 4.064 3.960 0.008 0.000 0.231 98 G HA3 0.099 4.064 3.960 0.008 0.000 0.231 98 G C 1.598 176.442 174.900 -0.093 0.000 1.277 98 G CA 0.126 45.100 45.100 -0.211 0.000 1.013 98 G HN 0.558 nan 8.290 nan 0.000 0.509 99 G N 1.979 110.799 108.800 0.032 0.000 2.606 99 G HA2 -0.254 3.711 3.960 0.008 0.000 0.221 99 G HA3 -0.254 3.711 3.960 0.008 0.000 0.221 99 G C 0.113 175.050 174.900 0.061 0.000 1.152 99 G CA 1.213 46.437 45.100 0.207 0.000 0.765 99 G HN 0.452 nan 8.290 nan 0.000 0.595 100 P HA -0.003 nan 4.420 nan 0.000 0.218 100 P C 2.086 179.287 177.300 -0.165 0.000 1.149 100 P CA 1.724 64.583 63.100 -0.401 0.000 0.817 100 P CB -0.197 31.145 31.700 -0.597 0.000 0.785 101 A N 0.088 122.834 122.820 -0.125 0.000 1.908 101 A HA -0.099 4.226 4.320 0.008 0.000 0.218 101 A C 2.482 180.007 177.584 -0.098 0.000 1.181 101 A CA 2.173 54.157 52.037 -0.088 0.000 0.627 101 A CB -1.822 17.115 19.000 -0.105 0.000 0.818 101 A HN 0.310 nan 8.150 nan 0.000 0.445 102 G N -1.113 107.562 108.800 -0.209 0.000 2.453 102 G HA2 -0.025 3.940 3.960 0.008 0.000 0.215 102 G HA3 -0.025 3.940 3.960 0.008 0.000 0.215 102 G C 1.674 176.718 174.900 0.239 0.000 1.147 102 G CA 1.674 46.612 45.100 -0.270 0.000 0.802 102 G HN 0.649 nan 8.290 nan 0.000 0.535 103 T N -1.061 113.647 114.554 0.258 0.000 2.821 103 T HA -0.071 4.284 4.350 0.008 0.000 0.267 103 T C 2.490 177.379 174.700 0.316 0.000 1.046 103 T CA 1.758 64.037 62.100 0.299 0.000 1.139 103 T CB -0.377 68.579 68.868 0.145 0.000 0.871 103 T HN 0.098 nan 8.240 nan 0.000 0.454 104 S N 1.014 116.870 115.700 0.260 0.000 2.368 104 S HA -0.127 4.348 4.470 0.008 0.000 0.225 104 S C 2.174 176.868 174.600 0.157 0.000 1.030 104 S CA 1.008 59.336 58.200 0.213 0.000 0.999 104 S CB -0.487 62.770 63.200 0.096 0.000 0.844 104 S HN 0.456 nan 8.310 nan 0.000 0.459 105 Q N 1.357 121.268 119.800 0.185 0.000 2.030 105 Q HA -0.128 4.217 4.340 0.008 0.000 0.204 105 Q C 2.411 178.542 176.000 0.219 0.000 0.986 105 Q CA 1.929 57.876 55.803 0.240 0.000 0.843 105 Q CB -0.736 28.127 28.738 0.208 0.000 0.904 105 Q HN 0.514 nan 8.270 nan 0.000 0.420 106 S N -0.664 115.201 115.700 0.274 0.000 2.383 106 S HA -0.162 4.313 4.470 0.008 0.000 0.227 106 S C 1.899 176.658 174.600 0.264 0.000 1.026 106 S CA 0.978 59.362 58.200 0.308 0.000 0.981 106 S CB -0.455 63.044 63.200 0.498 0.000 0.818 106 S HN 0.536 nan 8.310 nan 0.000 0.472 107 Y N 1.708 122.024 120.300 0.028 0.000 2.181 107 Y HA 0.009 4.564 4.550 0.008 0.000 0.288 107 Y C 1.853 177.685 175.900 -0.115 0.000 1.146 107 Y CA 1.685 59.682 58.100 -0.172 0.000 1.164 107 Y CB -0.268 37.765 38.460 -0.712 0.000 0.982 107 Y HN 0.270 nan 8.280 nan 0.000 0.515 108 L N -0.158 121.054 121.223 -0.020 0.000 2.179 108 L HA -0.101 4.244 4.340 0.008 0.000 0.208 108 L C 1.900 178.725 176.870 -0.075 0.000 1.096 108 L CA 1.311 56.104 54.840 -0.077 0.000 0.779 108 L CB -0.548 41.505 42.059 -0.009 0.000 0.922 108 L HN 0.253 nan 8.230 nan 0.000 0.443 109 D N -0.473 119.919 120.400 -0.013 0.000 2.355 109 D HA -0.009 4.636 4.640 0.008 0.000 0.218 109 D C 1.537 177.787 176.300 -0.082 0.000 1.004 109 D CA 0.902 54.872 54.000 -0.049 0.000 0.880 109 D CB 0.222 41.012 40.800 -0.017 0.000 0.911 109 D HN 0.260 nan 8.370 nan 0.000 0.528 110 G N -0.207 108.529 108.800 -0.106 0.000 2.217 110 G HA2 -0.374 3.591 3.960 0.008 0.000 0.246 110 G HA3 -0.374 3.591 3.960 0.008 0.000 0.246 110 G C 1.278 176.134 174.900 -0.074 0.000 0.990 110 G CA 0.973 45.995 45.100 -0.129 0.000 0.627 110 G HN 0.583 nan 8.290 nan 0.000 0.522 111 T N -2.490 112.048 114.554 -0.026 0.000 2.915 111 T HA -0.022 4.333 4.350 0.008 0.000 0.269 111 T C 1.861 176.538 174.700 -0.039 0.000 1.071 111 T CA 1.674 63.741 62.100 -0.054 0.000 1.132 111 T CB -0.184 68.662 68.868 -0.037 0.000 0.878 111 T HN 0.471 nan 8.240 nan 0.000 0.479 112 Y N 2.445 122.753 120.300 0.013 0.000 2.114 112 Y HA -0.127 4.428 4.550 0.008 0.000 0.284 112 Y C 2.832 178.819 175.900 0.145 0.000 1.143 112 Y CA 2.008 60.212 58.100 0.172 0.000 1.135 112 Y CB -0.676 37.954 38.460 0.284 0.000 0.980 112 Y HN 0.203 nan 8.280 nan 0.000 0.499 113 T N -0.152 114.482 114.554 0.134 0.000 2.904 113 T HA -0.141 4.214 4.350 0.008 0.000 0.267 113 T C 1.547 176.207 174.700 -0.067 0.000 1.059 113 T CA 1.515 63.651 62.100 0.061 0.000 1.137 113 T CB -0.205 68.657 68.868 -0.011 0.000 0.879 113 T HN 0.422 nan 8.240 nan 0.000 0.467 114 E N 0.655 120.779 120.200 -0.127 0.000 2.160 114 E HA -0.101 4.254 4.350 0.008 0.000 0.195 114 E C 2.120 178.530 176.600 -0.317 0.000 0.991 114 E CA 1.391 57.679 56.400 -0.186 0.000 0.810 114 E CB -0.113 29.481 29.700 -0.176 0.000 0.742 114 E HN 0.390 nan 8.360 nan 0.000 0.466 115 T N -0.263 113.996 114.554 -0.492 0.000 3.031 115 T HA 0.066 4.421 4.350 0.008 0.000 0.254 115 T C 0.078 174.140 174.700 -1.063 0.000 1.060 115 T CA 0.457 61.991 62.100 -0.945 0.000 1.135 115 T CB 0.155 68.166 68.868 -1.428 0.000 0.896 115 T HN -0.037 nan 8.240 nan 0.000 0.472 116 F N 1.272 121.007 119.950 -0.360 0.000 2.453 116 F HA 0.393 4.925 4.527 0.008 0.000 0.358 116 F C -2.251 173.507 175.800 -0.069 0.000 1.129 116 F CA -2.656 55.215 58.000 -0.215 0.000 1.200 116 F CB 1.619 40.425 39.000 -0.322 0.000 1.431 116 F HN -0.076 nan 8.300 nan 0.000 0.503 117 P HA -0.098 nan 4.420 nan 0.000 0.223 117 P C 1.225 178.577 177.300 0.087 0.000 1.151 117 P CA 1.167 64.288 63.100 0.035 0.000 0.787 117 P CB 0.275 31.972 31.700 -0.005 0.000 0.788 118 K N -0.871 119.606 120.400 0.129 0.000 2.288 118 K HA 0.012 4.337 4.320 0.008 0.000 0.201 118 K C 0.546 177.243 176.600 0.162 0.000 1.048 118 K CA 0.606 56.970 56.287 0.129 0.000 0.956 118 K CB -0.084 32.493 32.500 0.128 0.000 0.746 118 K HN 0.080 nan 8.250 nan 0.000 0.461 119 I N 2.906 123.621 120.570 0.242 0.000 2.256 119 I HA 0.037 4.212 4.170 0.008 0.000 0.294 119 I C 0.300 176.597 176.117 0.300 0.000 1.127 119 I CA 0.023 61.512 61.300 0.316 0.000 1.247 119 I CB -0.505 37.818 38.000 0.539 0.000 1.460 119 I HN 0.058 nan 8.210 nan 0.000 0.511 120 T N 2.397 117.074 114.554 0.205 0.000 2.943 120 T HA 0.405 4.760 4.350 0.008 0.000 0.284 120 T C 0.396 175.179 174.700 0.137 0.000 1.015 120 T CA -0.969 61.206 62.100 0.125 0.000 1.042 120 T CB 1.705 70.612 68.868 0.066 0.000 1.055 120 T HN 0.351 nan 8.240 nan 0.000 0.500 121 K N 2.487 122.889 120.400 0.004 0.000 2.737 121 K HA 0.265 4.590 4.320 0.008 0.000 0.251 121 K C -0.637 175.974 176.600 0.018 0.000 1.280 121 K CA -0.258 55.991 56.287 -0.064 0.000 1.219 121 K CB -0.497 31.898 32.500 -0.175 0.000 1.587 121 K HN 0.745 nan 8.250 nan 0.000 0.279 122 D N -2.953 117.489 120.400 0.069 0.000 2.779 122 D HA -0.063 4.582 4.640 0.008 0.000 0.331 122 D C 0.555 176.855 176.300 0.000 0.000 1.331 122 D CA -0.839 53.182 54.000 0.035 0.000 0.866 122 D CB 0.330 41.138 40.800 0.013 0.000 1.409 122 D HN -0.005 nan 8.370 nan 0.000 0.486 123 E N -0.377 119.799 120.200 -0.041 0.000 2.110 123 E HA -0.180 4.175 4.350 0.008 0.000 0.193 123 E C 1.787 178.324 176.600 -0.106 0.000 0.988 123 E CA 1.419 57.755 56.400 -0.107 0.000 0.804 123 E CB -0.241 29.400 29.700 -0.099 0.000 0.745 123 E HN 0.468 nan 8.360 nan 0.000 0.458 124 A N 0.612 123.401 122.820 -0.052 0.000 1.930 124 A HA -0.031 4.294 4.320 0.008 0.000 0.217 124 A C 2.377 179.945 177.584 -0.027 0.000 1.175 124 A CA 1.460 53.475 52.037 -0.036 0.000 0.627 124 A CB -0.926 18.068 19.000 -0.009 0.000 0.815 124 A HN 0.441 nan 8.150 nan 0.000 0.443 125 G N -0.417 108.385 108.800 0.004 0.000 2.408 125 G HA2 -0.098 3.867 3.960 0.008 0.000 0.217 125 G HA3 -0.098 3.867 3.960 0.008 0.000 0.217 125 G C 1.531 176.409 174.900 -0.037 0.000 1.150 125 G CA 0.847 45.980 45.100 0.054 0.000 0.776 125 G HN 0.411 nan 8.290 nan 0.000 0.542 126 L N -0.069 121.057 121.223 -0.163 0.000 2.093 126 L HA -0.091 4.254 4.340 0.008 0.000 0.208 126 L C 3.042 179.590 176.870 -0.536 0.000 1.085 126 L CA 1.158 55.719 54.840 -0.464 0.000 0.755 126 L CB -0.259 41.424 42.059 -0.626 0.000 0.904 126 L HN 0.266 nan 8.230 nan 0.000 0.435 127 Q N 1.048 120.660 119.800 -0.314 0.000 2.050 127 Q HA -0.237 4.108 4.340 0.008 0.000 0.202 127 Q C 2.029 177.965 176.000 -0.107 0.000 0.980 127 Q CA 1.727 57.412 55.803 -0.196 0.000 0.840 127 Q CB -0.009 28.668 28.738 -0.101 0.000 0.898 127 Q HN 0.452 nan 8.270 nan 0.000 0.424 128 K N -0.417 119.945 120.400 -0.063 0.000 2.063 128 K HA -0.161 4.164 4.320 0.008 0.000 0.208 128 K C 2.080 178.686 176.600 0.010 0.000 1.048 128 K CA 1.441 57.720 56.287 -0.013 0.000 0.928 128 K CB -0.382 32.143 32.500 0.042 0.000 0.713 128 K HN 0.152 nan 8.250 nan 0.000 0.442 129 F N 1.010 120.853 119.950 -0.178 0.000 2.102 129 F HA -0.183 4.349 4.527 0.008 0.000 0.298 129 F C 1.827 177.615 175.800 -0.020 0.000 1.105 129 F CA 1.311 59.186 58.000 -0.209 0.000 1.239 129 F CB -0.134 38.547 39.000 -0.532 0.000 0.991 129 F HN -0.116 nan 8.300 nan 0.000 0.474 130 F N 0.643 120.475 119.950 -0.197 0.000 2.146 130 F HA -0.034 4.498 4.527 0.009 0.000 0.298 130 F C 2.711 178.377 175.800 -0.224 0.000 1.096 130 F CA 1.429 59.275 58.000 -0.256 0.000 1.275 130 F CB -1.463 37.447 39.000 -0.150 0.000 1.008 130 F HN -0.017 nan 8.300 nan 0.000 0.480 131 R N 1.007 121.489 120.500 -0.030 0.000 2.066 131 R HA -0.191 4.154 4.340 0.008 0.000 0.232 131 R C 2.166 178.247 176.300 -0.364 0.000 1.131 131 R CA 1.741 57.674 56.100 -0.278 0.000 0.955 131 R CB -0.343 29.735 30.300 -0.370 0.000 0.851 131 R HN 0.462 nan 8.270 nan 0.000 0.432 132 Q N -0.563 119.121 119.800 -0.193 0.000 2.437 132 Q HA -0.122 4.223 4.340 0.008 0.000 0.210 132 Q C 0.177 176.180 176.000 0.004 0.000 0.972 132 Q CA 0.453 56.206 55.803 -0.082 0.000 0.903 132 Q CB -0.339 28.385 28.738 -0.023 0.000 0.967 132 Q HN 0.232 nan 8.270 nan 0.000 0.486 133 F N 2.683 122.539 119.950 -0.157 0.000 2.506 133 F HA 0.120 4.651 4.527 0.008 0.000 0.371 133 F C 0.100 175.903 175.800 0.004 0.000 1.078 133 F CA 0.087 58.008 58.000 -0.132 0.000 1.195 133 F CB 0.412 39.264 39.000 -0.246 0.000 1.099 133 F HN 0.141 nan 8.300 nan 0.000 0.548 134 S N 4.474 119.695 115.700 -0.798 0.000 3.550 134 S HA -0.286 4.189 4.470 0.008 0.000 0.372 134 S C -0.788 173.729 174.600 -0.139 0.000 0.966 134 S CA 1.008 58.881 58.200 -0.545 0.000 1.229 134 S CB -2.113 60.676 63.200 -0.685 0.000 0.917 134 S HN 0.815 nan 8.310 nan 0.000 0.496 135 Y N 0.779 120.966 120.300 -0.188 0.000 2.524 135 Y HA 0.528 5.083 4.550 0.008 0.000 0.347 135 Y C -2.596 173.260 175.900 -0.074 0.000 1.005 135 Y CA -2.100 55.940 58.100 -0.100 0.000 1.025 135 Y CB 1.541 39.965 38.460 -0.060 0.000 1.275 135 Y HN 0.005 nan 8.280 nan 0.000 0.460 136 P HA 0.152 nan 4.420 nan 0.000 0.265 136 P C 0.561 177.875 177.300 0.024 0.000 1.193 136 P CA 1.690 64.695 63.100 -0.158 0.000 0.765 136 P CB 0.843 32.389 31.700 -0.256 0.000 0.823 137 G N 1.627 110.443 108.800 0.027 0.000 2.245 137 G HA2 -0.224 3.741 3.960 0.008 0.000 0.264 137 G HA3 -0.224 3.741 3.960 0.008 0.000 0.264 137 G C 0.615 175.570 174.900 0.091 0.000 0.985 137 G CA 0.363 45.503 45.100 0.067 0.000 0.625 137 G HN 0.892 nan 8.290 nan 0.000 0.536 138 G N -0.121 108.744 108.800 0.109 0.000 3.227 138 G HA2 0.774 4.739 3.960 0.008 0.000 0.171 138 G HA3 0.774 4.739 3.960 0.008 0.000 0.171 138 G C 0.276 175.193 174.900 0.028 0.000 1.463 138 G CA -0.101 45.049 45.100 0.084 0.000 1.016 138 G HN 1.416 nan 8.290 nan 0.000 0.594 139 I N -2.247 118.323 120.570 -0.001 0.000 3.002 139 I HA 0.640 4.815 4.170 0.008 0.000 0.310 139 I C -2.914 173.165 176.117 -0.064 0.000 1.087 139 I CA -2.603 58.697 61.300 -0.001 0.000 1.017 139 I CB 2.332 40.364 38.000 0.054 0.000 1.226 139 I HN 0.142 nan 8.210 nan 0.000 0.443 140 P HA 0.138 nan 4.420 nan 0.000 0.273 140 P C 0.320 177.564 177.300 -0.094 0.000 1.250 140 P CA -0.333 62.753 63.100 -0.023 0.000 0.793 140 P CB 0.636 32.379 31.700 0.072 0.000 1.011 141 S N -1.952 113.723 115.700 -0.040 0.000 2.527 141 S HA 0.008 4.483 4.470 0.008 0.000 0.222 141 S C 0.492 175.339 174.600 0.411 0.000 0.985 141 S CA 0.639 58.846 58.200 0.010 0.000 0.921 141 S CB -0.774 62.519 63.200 0.155 0.000 0.772 141 S HN 0.447 nan 8.310 nan 0.000 0.529 142 H N -0.432 118.788 119.070 0.250 0.000 2.630 142 H HA 0.483 5.044 4.556 0.008 0.000 0.343 142 H C -0.835 174.732 175.328 0.399 0.000 1.232 142 H CA -1.500 54.733 56.048 0.309 0.000 1.294 142 H CB 0.277 30.185 29.762 0.243 0.000 1.746 142 H HN 0.135 nan 8.280 nan 0.000 0.593 143 F N 1.943 122.084 119.950 0.319 0.000 2.651 143 F HA 0.354 4.886 4.527 0.007 0.000 0.369 143 F C 0.482 176.480 175.800 0.330 0.000 1.187 143 F CA -0.944 57.234 58.000 0.296 0.000 1.335 143 F CB -1.733 37.425 39.000 0.262 0.000 1.707 143 F HN 0.521 nan 8.300 nan 0.000 0.637 144 A N 4.555 127.557 122.820 0.305 0.000 2.366 144 A HA 0.287 4.611 4.320 0.008 0.000 0.250 144 A C -1.165 176.370 177.584 -0.081 0.000 1.099 144 A CA -0.796 51.318 52.037 0.128 0.000 0.794 144 A CB -0.367 18.695 19.000 0.104 0.000 1.056 144 A HN 0.411 nan 8.150 nan 0.000 0.499 145 P HA -0.131 nan 4.420 nan 0.000 0.222 145 P C 0.475 177.557 177.300 -0.363 0.000 1.147 145 P CA 1.247 63.834 63.100 -0.855 0.000 0.790 145 P CB 0.100 30.780 31.700 -1.701 0.000 0.780 146 E N -0.346 119.795 120.200 -0.098 0.000 2.409 146 E HA -0.031 4.324 4.350 0.008 0.000 0.198 146 E C 0.261 177.242 176.600 0.635 0.000 1.024 146 E CA 0.752 57.312 56.400 0.266 0.000 0.861 146 E CB -0.746 29.073 29.700 0.198 0.000 0.788 146 E HN 0.317 nan 8.360 nan 0.000 0.521 147 T N 1.975 116.796 114.554 0.445 0.000 2.795 147 T HA 0.365 4.720 4.350 0.008 0.000 0.282 147 T C -2.572 172.427 174.700 0.498 0.000 0.980 147 T CA -2.059 60.360 62.100 0.532 0.000 1.012 147 T CB 1.568 70.698 68.868 0.438 0.000 0.936 147 T HN -0.198 nan 8.240 nan 0.000 0.457 148 P HA 0.312 nan 4.420 nan 0.000 0.267 148 P C 1.090 178.576 177.300 0.309 0.000 1.205 148 P CA 0.689 63.945 63.100 0.259 0.000 0.765 148 P CB 0.434 32.141 31.700 0.012 0.000 0.828 149 G N 1.508 110.468 108.800 0.267 0.000 2.213 149 G HA2 -0.219 3.746 3.960 0.008 0.000 0.226 149 G HA3 -0.219 3.746 3.960 0.008 0.000 0.226 149 G C 0.380 175.401 174.900 0.202 0.000 0.992 149 G CA 0.129 45.403 45.100 0.290 0.000 0.632 149 G HN 0.759 nan 8.290 nan 0.000 0.511 150 S N 0.371 116.001 115.700 -0.117 0.000 2.499 150 S HA 0.655 5.130 4.470 0.008 0.000 0.279 150 S C 1.125 175.811 174.600 0.145 0.000 1.219 150 S CA -0.078 57.893 58.200 -0.382 0.000 1.062 150 S CB 0.590 63.197 63.200 -0.987 0.000 0.978 150 S HN 1.089 nan 8.310 nan 0.000 0.489 151 I N 1.950 122.622 120.570 0.169 0.000 3.966 151 I HA 0.516 4.691 4.170 0.008 0.000 0.324 151 I C -0.209 175.803 176.117 -0.175 0.000 1.517 151 I CA -0.568 60.775 61.300 0.072 0.000 1.117 151 I CB 0.040 38.036 38.000 -0.006 0.000 1.190 151 I HN 0.687 nan 8.210 nan 0.000 0.466 152 H N 0.436 119.493 119.070 -0.021 0.000 3.235 152 H HA 0.252 4.812 4.556 0.007 0.000 0.324 152 H C -0.007 175.501 175.328 0.299 0.000 1.059 152 H CA -0.374 55.708 56.048 0.056 0.000 1.497 152 H CB 1.535 31.401 29.762 0.174 0.000 1.986 152 H HN 0.182 nan 8.280 nan 0.000 0.444 153 E N 3.476 123.747 120.200 0.118 0.000 2.158 153 E HA 0.064 4.419 4.350 0.008 0.000 0.191 153 E C 1.188 177.947 176.600 0.266 0.000 0.982 153 E CA 0.803 57.378 56.400 0.291 0.000 0.823 153 E CB -0.014 29.897 29.700 0.352 0.000 0.766 153 E HN 1.057 nan 8.360 nan 0.000 0.468 154 G N 0.069 108.841 108.800 -0.046 0.000 2.198 154 G HA2 -0.295 3.670 3.960 0.008 0.000 0.260 154 G HA3 -0.295 3.670 3.960 0.008 0.000 0.260 154 G C 0.628 175.751 174.900 0.370 0.000 1.025 154 G CA 0.539 45.748 45.100 0.182 0.000 0.769 154 G HN 0.507 nan 8.290 nan 0.000 0.507 155 G N -0.386 108.599 108.800 0.309 0.000 2.456 155 G HA2 0.200 4.165 3.960 0.008 0.000 0.213 155 G HA3 0.200 4.165 3.960 0.008 0.000 0.213 155 G C 0.606 175.597 174.900 0.152 0.000 1.215 155 G CA 0.754 45.963 45.100 0.181 0.000 0.805 155 G HN 0.712 nan 8.290 nan 0.000 0.537 156 E N 0.672 120.957 120.200 0.141 0.000 2.152 156 E HA 0.350 4.705 4.350 0.008 0.000 0.285 156 E C -0.195 176.431 176.600 0.044 0.000 1.043 156 E CA -0.461 56.024 56.400 0.141 0.000 0.839 156 E CB 0.347 30.193 29.700 0.243 0.000 1.069 156 E HN 0.091 nan 8.360 nan 0.000 0.399 157 L N 3.901 125.100 121.223 -0.040 0.000 2.439 157 L HA 0.325 4.670 4.340 0.008 0.000 0.269 157 L C 1.312 177.881 176.870 -0.502 0.000 1.179 157 L CA 0.844 55.606 54.840 -0.129 0.000 0.828 157 L CB 0.872 42.914 42.059 -0.028 0.000 1.106 157 L HN 1.014 nan 8.230 nan 0.000 0.467 158 G N 1.114 109.599 108.800 -0.526 0.000 2.551 158 G HA2 -0.222 3.743 3.960 0.008 0.000 0.186 158 G HA3 -0.222 3.743 3.960 0.008 0.000 0.186 158 G C 0.307 174.834 174.900 -0.622 0.000 1.002 158 G CA -0.391 44.305 45.100 -0.673 0.000 0.723 158 G HN 0.605 nan 8.290 nan 0.000 0.481 159 Y N 1.207 121.492 120.300 -0.024 0.000 2.524 159 Y HA 0.571 5.124 4.550 0.005 0.000 0.266 159 Y C 2.519 178.324 175.900 -0.159 0.000 1.180 159 Y CA 0.452 58.455 58.100 -0.162 0.000 1.244 159 Y CB 0.419 38.700 38.460 -0.298 0.000 1.125 159 Y HN 0.331 nan 8.280 nan 0.000 0.524 160 A N 0.657 123.441 122.820 -0.059 0.000 1.902 160 A HA -0.135 4.190 4.320 0.008 0.000 0.217 160 A C 2.000 179.485 177.584 -0.166 0.000 1.181 160 A CA 1.489 53.372 52.037 -0.256 0.000 0.623 160 A CB -0.634 18.245 19.000 -0.201 0.000 0.818 160 A HN 0.531 nan 8.150 nan 0.000 0.443 161 L N 0.121 121.263 121.223 -0.136 0.000 2.095 161 L HA -0.110 4.235 4.340 0.008 0.000 0.204 161 L C 2.982 179.972 176.870 0.199 0.000 1.080 161 L CA 1.342 56.179 54.840 -0.005 0.000 0.759 161 L CB -0.436 41.551 42.059 -0.120 0.000 0.914 161 L HN 0.575 nan 8.230 nan 0.000 0.439 162 S N -1.571 114.175 115.700 0.077 0.000 2.402 162 S HA -0.209 4.266 4.470 0.008 0.000 0.229 162 S C 1.741 176.528 174.600 0.312 0.000 1.021 162 S CA 0.975 59.276 58.200 0.167 0.000 0.974 162 S CB -0.721 62.352 63.200 -0.211 0.000 0.800 162 S HN 0.513 nan 8.310 nan 0.000 0.484 163 H N 1.346 120.488 119.070 0.121 0.000 2.395 163 H HA 0.195 4.757 4.556 0.010 0.000 0.299 163 H C 2.618 177.972 175.328 0.044 0.000 1.070 163 H CA 0.712 56.803 56.048 0.072 0.000 1.356 163 H CB -0.193 29.602 29.762 0.055 0.000 1.401 163 H HN 0.578 nan 8.280 nan 0.000 0.524 164 A N 0.618 123.508 122.820 0.118 0.000 1.902 164 A HA -0.203 4.122 4.320 0.008 0.000 0.217 164 A C 1.760 179.312 177.584 -0.054 0.000 1.181 164 A CA 1.401 53.417 52.037 -0.035 0.000 0.623 164 A CB -0.784 18.117 19.000 -0.164 0.000 0.818 164 A HN 0.415 nan 8.150 nan 0.000 0.443 165 Y N -0.167 120.165 120.300 0.053 0.000 2.337 165 Y HA 0.057 4.612 4.550 0.009 0.000 0.293 165 Y C 2.741 178.561 175.900 -0.133 0.000 1.123 165 Y CA 0.698 58.766 58.100 -0.054 0.000 1.201 165 Y CB -0.644 37.764 38.460 -0.086 0.000 1.011 165 Y HN 0.336 nan 8.280 nan 0.000 0.545 166 G N -0.091 108.788 108.800 0.132 0.000 2.440 166 G HA2 -0.301 3.664 3.960 0.008 0.000 0.218 166 G HA3 -0.301 3.664 3.960 0.008 0.000 0.218 166 G C 1.943 176.945 174.900 0.171 0.000 1.154 166 G CA 1.060 46.221 45.100 0.101 0.000 0.767 166 G HN 0.452 nan 8.290 nan 0.000 0.552 167 A N 1.327 124.225 122.820 0.129 0.000 1.917 167 A HA -0.090 4.235 4.320 0.008 0.000 0.219 167 A C 2.404 180.061 177.584 0.123 0.000 1.182 167 A CA 1.783 53.884 52.037 0.107 0.000 0.633 167 A CB -0.484 18.547 19.000 0.052 0.000 0.819 167 A HN 0.875 nan 8.150 nan 0.000 0.448 168 I N -3.641 116.983 120.570 0.091 0.000 3.428 168 I HA 0.166 4.341 4.170 0.008 0.000 0.286 168 I C 0.771 176.971 176.117 0.139 0.000 1.287 168 I CA -0.033 61.334 61.300 0.112 0.000 1.396 168 I CB -0.268 37.770 38.000 0.063 0.000 1.062 168 I HN 0.116 nan 8.210 nan 0.000 0.471 169 M N 2.712 122.404 119.600 0.154 0.000 2.238 169 M HA 0.024 4.509 4.480 0.008 0.000 0.350 169 M C 0.164 176.630 176.300 0.276 0.000 1.321 169 M CA 0.647 56.040 55.300 0.155 0.000 1.097 169 M CB 0.081 32.722 32.600 0.068 0.000 1.713 169 M HN 0.223 nan 8.290 nan 0.000 0.455 170 D N 1.123 121.643 120.400 0.200 0.000 2.792 170 D HA -0.204 4.441 4.640 0.008 0.000 0.231 170 D C -0.376 176.041 176.300 0.194 0.000 1.160 170 D CA 1.030 55.155 54.000 0.208 0.000 0.697 170 D CB -1.287 39.683 40.800 0.283 0.000 1.070 170 D HN 0.589 nan 8.370 nan 0.000 0.426 171 N N -0.250 118.562 118.700 0.186 0.000 2.765 171 N HA 0.155 4.900 4.740 0.008 0.000 0.277 171 N C -1.920 173.726 175.510 0.226 0.000 1.750 171 N CA -1.553 51.606 53.050 0.181 0.000 0.827 171 N CB 1.020 39.608 38.487 0.169 0.000 1.200 171 N HN -0.095 nan 8.380 nan 0.000 0.494 172 P HA -0.042 nan 4.420 nan 0.000 0.226 172 P C 0.827 178.448 177.300 0.534 0.000 1.153 172 P CA 0.868 64.145 63.100 0.295 0.000 0.777 172 P CB 0.220 32.047 31.700 0.212 0.000 0.794 173 S N -1.987 113.956 115.700 0.405 0.000 2.556 173 S HA 0.134 4.609 4.470 0.008 0.000 0.216 173 S C 0.586 175.313 174.600 0.212 0.000 0.970 173 S CA -0.437 57.965 58.200 0.336 0.000 0.912 173 S CB -0.841 62.428 63.200 0.114 0.000 0.790 173 S HN -0.013 nan 8.310 nan 0.000 0.504 174 L N 2.128 123.565 121.223 0.357 0.000 2.326 174 L HA 0.648 4.993 4.340 0.008 0.000 0.278 174 L C -0.850 176.348 176.870 0.545 0.000 1.092 174 L CA -0.723 54.298 54.840 0.302 0.000 0.810 174 L CB 1.008 43.196 42.059 0.216 0.000 1.153 174 L HN 0.305 nan 8.230 nan 0.000 0.439 175 F N 5.519 125.620 119.950 0.251 0.000 2.482 175 F HA 0.643 5.175 4.527 0.009 0.000 0.331 175 F C -1.067 174.859 175.800 0.210 0.000 1.115 175 F CA -0.933 57.289 58.000 0.371 0.000 0.955 175 F CB 1.572 40.804 39.000 0.387 0.000 1.136 175 F HN 0.114 nan 8.300 nan 0.000 0.452 176 V N 7.893 127.609 119.914 -0.331 0.000 2.340 176 V HA 0.332 4.457 4.120 0.008 0.000 0.277 176 V C -2.348 173.365 176.094 -0.635 0.000 1.017 176 V CA -1.791 60.259 62.300 -0.417 0.000 0.820 176 V CB 1.198 32.906 31.823 -0.192 0.000 1.028 176 V HN 0.585 nan 8.190 nan 0.000 0.436 177 P HA 0.239 nan 4.420 nan 0.000 0.269 177 P C -0.356 176.827 177.300 -0.195 0.000 1.252 177 P CA 0.277 63.145 63.100 -0.386 0.000 0.780 177 P CB 0.727 32.307 31.700 -0.200 0.000 0.829 178 A N 5.574 128.303 122.820 -0.152 0.000 2.280 178 A HA 0.481 4.806 4.320 0.008 0.000 0.320 178 A C 0.086 177.633 177.584 -0.061 0.000 1.366 178 A CA -0.756 51.210 52.037 -0.119 0.000 0.938 178 A CB -0.205 18.707 19.000 -0.146 0.000 1.157 178 A HN 0.464 nan 8.150 nan 0.000 0.536 179 I N 2.868 123.416 120.570 -0.036 0.000 2.342 179 I HA 0.302 4.477 4.170 0.008 0.000 0.291 179 I C -0.464 175.682 176.117 0.048 0.000 1.010 179 I CA -0.396 60.913 61.300 0.015 0.000 1.308 179 I CB 1.527 39.523 38.000 -0.008 0.000 1.400 179 I HN 0.259 nan 8.210 nan 0.000 0.488 180 V N 5.668 125.645 119.914 0.106 0.000 2.409 180 V HA 0.470 4.595 4.120 0.008 0.000 0.291 180 V C 0.703 176.921 176.094 0.207 0.000 1.020 180 V CA -0.635 61.728 62.300 0.104 0.000 0.848 180 V CB 1.578 33.435 31.823 0.056 0.000 0.990 180 V HN 0.906 nan 8.190 nan 0.000 0.430 181 G N 2.478 111.389 108.800 0.186 0.000 2.544 181 G HA2 0.242 4.207 3.960 0.008 0.000 0.242 181 G HA3 0.242 4.207 3.960 0.008 0.000 0.242 181 G C 0.680 175.689 174.900 0.182 0.000 1.247 181 G CA 0.105 45.321 45.100 0.194 0.000 0.840 181 G HN 0.857 nan 8.290 nan 0.000 0.578 182 D N 0.522 121.011 120.400 0.147 0.000 2.277 182 D HA -0.051 4.594 4.640 0.008 0.000 0.208 182 D C 2.088 178.453 176.300 0.109 0.000 0.962 182 D CA 0.984 55.076 54.000 0.153 0.000 0.865 182 D CB -0.640 40.230 40.800 0.116 0.000 0.939 182 D HN 0.459 nan 8.370 nan 0.000 0.510 183 G N 0.864 109.714 108.800 0.083 0.000 2.394 183 G HA2 -0.293 3.672 3.960 0.008 0.000 0.214 183 G HA3 -0.293 3.672 3.960 0.008 0.000 0.214 183 G C 1.464 176.398 174.900 0.056 0.000 1.176 183 G CA 0.648 45.780 45.100 0.053 0.000 0.786 183 G HN 0.432 nan 8.290 nan 0.000 0.533 184 E N 0.649 120.895 120.200 0.076 0.000 2.171 184 E HA -0.119 4.236 4.350 0.008 0.000 0.197 184 E C 2.566 179.191 176.600 0.040 0.000 0.997 184 E CA 1.060 57.485 56.400 0.041 0.000 0.810 184 E CB -0.272 29.461 29.700 0.055 0.000 0.738 184 E HN 0.346 nan 8.360 nan 0.000 0.467 185 A N 0.768 123.661 122.820 0.122 0.000 2.125 185 A HA -0.169 4.155 4.320 0.008 0.000 0.219 185 A C 1.693 179.383 177.584 0.176 0.000 1.156 185 A CA 1.190 53.359 52.037 0.220 0.000 0.671 185 A CB -0.378 18.888 19.000 0.443 0.000 0.794 185 A HN 0.359 nan 8.150 nan 0.000 0.459 186 E N 0.340 120.592 120.200 0.088 0.000 2.338 186 E HA -0.055 4.300 4.350 0.008 0.000 0.197 186 E C 0.816 177.422 176.600 0.009 0.000 1.007 186 E CA 0.792 57.215 56.400 0.039 0.000 0.849 186 E CB -0.239 29.467 29.700 0.010 0.000 0.774 186 E HN 0.774 nan 8.360 nan 0.000 0.506 187 T N -2.697 111.845 114.554 -0.020 0.000 2.868 187 T HA 0.271 4.626 4.350 0.008 0.000 0.292 187 T C 1.350 176.004 174.700 -0.077 0.000 1.028 187 T CA -0.366 61.690 62.100 -0.074 0.000 1.059 187 T CB 1.732 70.513 68.868 -0.146 0.000 0.991 187 T HN 0.013 nan 8.240 nan 0.000 0.531 188 G N 1.430 110.167 108.800 -0.105 0.000 2.421 188 G HA2 -0.041 3.924 3.960 0.008 0.000 0.216 188 G HA3 -0.041 3.924 3.960 0.008 0.000 0.216 188 G C -0.882 173.909 174.900 -0.182 0.000 1.171 188 G CA 0.372 45.407 45.100 -0.109 0.000 0.775 188 G HN 0.639 nan 8.290 nan 0.000 0.543 189 P HA -0.075 nan 4.420 nan 0.000 0.215 189 P C 2.076 179.247 177.300 -0.216 0.000 1.153 189 P CA 0.402 63.301 63.100 -0.335 0.000 0.853 189 P CB -0.041 31.457 31.700 -0.337 0.000 0.788 190 L N -0.142 120.945 121.223 -0.227 0.000 2.017 190 L HA -0.134 4.211 4.340 0.008 0.000 0.208 190 L C 2.112 178.850 176.870 -0.221 0.000 1.073 190 L CA 2.434 57.120 54.840 -0.255 0.000 0.745 190 L CB -1.695 40.239 42.059 -0.208 0.000 0.894 190 L HN -0.054 nan 8.230 nan 0.000 0.432 191 A N -1.379 121.437 122.820 -0.005 0.000 1.948 191 A HA -0.276 4.049 4.320 0.008 0.000 0.220 191 A C 2.365 180.078 177.584 0.216 0.000 1.177 191 A CA 2.511 54.691 52.037 0.238 0.000 0.636 191 A CB -1.047 18.081 19.000 0.213 0.000 0.815 191 A HN 0.513 nan 8.150 nan 0.000 0.449 192 T N -1.373 113.210 114.554 0.049 0.000 3.014 192 T HA 0.125 4.480 4.350 0.008 0.000 0.263 192 T C 1.792 176.492 174.700 0.000 0.000 1.078 192 T CA 1.423 63.550 62.100 0.044 0.000 1.135 192 T CB -0.483 68.384 68.868 -0.001 0.000 0.895 192 T HN 0.491 nan 8.240 nan 0.000 0.480 193 G N -0.117 108.619 108.800 -0.107 0.000 2.462 193 G HA2 -0.182 3.783 3.960 0.008 0.000 0.220 193 G HA3 -0.182 3.783 3.960 0.008 0.000 0.220 193 G C 1.241 176.104 174.900 -0.062 0.000 1.121 193 G CA 0.534 45.550 45.100 -0.141 0.000 0.758 193 G HN 0.655 nan 8.290 nan 0.000 0.559 194 W N 0.639 121.989 121.300 0.084 0.000 2.331 194 W HA -0.086 4.577 4.660 0.004 0.000 0.291 194 W C 2.619 179.196 176.519 0.097 0.000 1.214 194 W CA 0.816 58.264 57.345 0.171 0.000 1.228 194 W CB -0.015 29.527 29.460 0.137 0.000 1.135 194 W HN 0.174 nan 8.180 nan 0.000 0.537 195 Q N 0.065 119.973 119.800 0.181 0.000 2.482 195 Q HA -0.013 4.332 4.340 0.008 0.000 0.209 195 Q C 1.820 177.734 176.000 -0.143 0.000 0.961 195 Q CA 0.815 56.626 55.803 0.014 0.000 0.945 195 Q CB -0.346 28.400 28.738 0.014 0.000 1.012 195 Q HN 0.280 nan 8.270 nan 0.000 0.515 196 S N 2.544 118.080 115.700 -0.273 0.000 2.440 196 S HA -0.135 4.340 4.470 0.008 0.000 0.238 196 S C 1.511 175.703 174.600 -0.680 0.000 1.010 196 S CA 1.185 59.089 58.200 -0.493 0.000 0.972 196 S CB -0.258 62.340 63.200 -1.003 0.000 0.774 196 S HN 0.605 nan 8.310 nan 0.000 0.501 197 N N 1.374 119.716 118.700 -0.596 0.000 2.585 197 N HA -0.083 4.662 4.740 0.008 0.000 0.188 197 N C 0.822 176.169 175.510 -0.272 0.000 1.102 197 N CA 0.813 53.630 53.050 -0.387 0.000 0.920 197 N CB -0.261 37.996 38.487 -0.384 0.000 0.963 197 N HN 0.149 nan 8.380 nan 0.000 0.447 198 K N -0.304 119.911 120.400 -0.308 0.000 2.404 198 K HA 0.343 4.668 4.320 0.008 0.000 0.194 198 K C 0.805 177.180 176.600 -0.375 0.000 1.023 198 K CA 0.187 56.246 56.287 -0.380 0.000 1.094 198 K CB 0.324 32.535 32.500 -0.481 0.000 0.841 198 K HN 0.234 nan 8.250 nan 0.000 0.523 199 L N -0.128 120.949 121.223 -0.244 0.000 2.966 199 L HA 0.248 4.593 4.340 0.008 0.000 0.262 199 L C -0.167 176.630 176.870 -0.122 0.000 1.165 199 L CA -0.439 54.314 54.840 -0.145 0.000 0.978 199 L CB 0.749 42.783 42.059 -0.042 0.000 1.337 199 L HN -0.153 nan 8.230 nan 0.000 0.563 200 V N -3.739 116.103 119.914 -0.120 0.000 3.019 200 V HA 0.549 4.674 4.120 0.008 0.000 0.317 200 V C -0.635 175.451 176.094 -0.013 0.000 1.094 200 V CA -0.721 61.547 62.300 -0.054 0.000 1.000 200 V CB 2.244 34.066 31.823 -0.003 0.000 1.060 200 V HN 0.136 nan 8.190 nan 0.000 0.443 201 N N 2.518 121.222 118.700 0.008 0.000 2.354 201 N HA 0.482 5.227 4.740 0.008 0.000 0.287 201 N C -2.236 173.288 175.510 0.024 0.000 1.016 201 N CA -1.874 51.182 53.050 0.010 0.000 0.871 201 N CB 3.012 41.494 38.487 -0.008 0.000 1.299 201 N HN 0.556 nan 8.380 nan 0.000 0.482 202 P HA 0.002 nan 4.420 nan 0.000 0.245 202 P C 0.882 178.129 177.300 -0.090 0.000 1.212 202 P CA 0.536 63.622 63.100 -0.022 0.000 0.774 202 P CB 0.583 32.254 31.700 -0.047 0.000 0.999 203 R N 0.936 121.402 120.500 -0.056 0.000 2.075 203 R HA -0.013 4.332 4.340 0.008 0.000 0.220 203 R C 1.979 178.282 176.300 0.006 0.000 1.118 203 R CA 1.884 57.959 56.100 -0.043 0.000 0.986 203 R CB -0.534 29.748 30.300 -0.029 0.000 0.884 203 R HN 0.118 nan 8.270 nan 0.000 0.439 204 T N -1.541 113.027 114.554 0.024 0.000 3.081 204 T HA 0.118 4.473 4.350 0.008 0.000 0.255 204 T C 0.078 174.823 174.700 0.075 0.000 1.113 204 T CA -0.118 62.016 62.100 0.057 0.000 1.082 204 T CB 0.117 69.021 68.868 0.060 0.000 0.939 204 T HN 0.091 nan 8.240 nan 0.000 0.506 205 D N 0.541 120.977 120.400 0.061 0.000 2.414 205 D HA 0.559 5.204 4.640 0.008 0.000 0.241 205 D C 0.679 177.037 176.300 0.096 0.000 1.008 205 D CA -0.581 53.470 54.000 0.085 0.000 1.001 205 D CB 1.489 42.326 40.800 0.061 0.000 1.277 205 D HN 0.251 nan 8.370 nan 0.000 0.538 206 G N -0.419 108.475 108.800 0.156 0.000 2.546 206 G HA2 0.465 4.430 3.960 0.008 0.000 0.239 206 G HA3 0.465 4.430 3.960 0.008 0.000 0.239 206 G C -0.251 174.729 174.900 0.135 0.000 1.476 206 G CA -0.228 45.028 45.100 0.260 0.000 1.064 206 G HN 0.370 nan 8.290 nan 0.000 0.561 207 I N -0.069 120.674 120.570 0.287 0.000 2.582 207 I HA 0.327 4.502 4.170 0.008 0.000 0.292 207 I C -0.710 175.520 176.117 0.187 0.000 1.066 207 I CA -0.488 60.925 61.300 0.189 0.000 1.053 207 I CB 1.817 39.936 38.000 0.198 0.000 1.241 207 I HN 0.023 nan 8.210 nan 0.000 0.421 208 V N 6.248 126.100 119.914 -0.104 0.000 2.398 208 V HA 0.340 4.465 4.120 0.008 0.000 0.286 208 V C -0.243 175.837 176.094 -0.024 0.000 1.026 208 V CA -0.696 61.453 62.300 -0.253 0.000 0.868 208 V CB 2.174 33.482 31.823 -0.858 0.000 0.982 208 V HN 0.466 nan 8.190 nan 0.000 0.443 209 L N 9.166 130.397 121.223 0.013 0.000 2.297 209 L HA 0.605 4.949 4.340 0.008 0.000 0.277 209 L C -2.531 174.331 176.870 -0.012 0.000 1.040 209 L CA -1.701 53.189 54.840 0.084 0.000 0.867 209 L CB 1.190 43.360 42.059 0.184 0.000 1.244 209 L HN 0.379 nan 8.230 nan 0.000 0.433 210 P HA 0.262 nan 4.420 nan 0.000 0.271 210 P C -0.919 176.396 177.300 0.025 0.000 1.216 210 P CA 0.318 63.428 63.100 0.016 0.000 0.776 210 P CB 0.665 32.425 31.700 0.100 0.000 0.881 211 I N 3.356 123.960 120.570 0.057 0.000 2.439 211 I HA 0.200 4.375 4.170 0.008 0.000 0.283 211 I C -0.357 175.859 176.117 0.166 0.000 1.023 211 I CA -1.048 60.310 61.300 0.098 0.000 1.100 211 I CB 1.520 39.572 38.000 0.088 0.000 1.238 211 I HN 0.132 nan 8.210 nan 0.000 0.445 212 L N 7.010 128.348 121.223 0.192 0.000 2.369 212 L HA 0.169 4.514 4.340 0.008 0.000 0.279 212 L C 0.360 177.454 176.870 0.375 0.000 1.108 212 L CA 0.295 55.309 54.840 0.290 0.000 0.852 212 L CB -0.100 42.102 42.059 0.238 0.000 1.169 212 L HN 0.494 nan 8.230 nan 0.000 0.452 213 H N 5.766 124.993 119.070 0.261 0.000 3.092 213 H HA 0.124 4.685 4.556 0.009 0.000 0.263 213 H C -0.275 175.199 175.328 0.243 0.000 1.611 213 H CA -0.722 55.513 56.048 0.312 0.000 1.457 213 H CB 0.437 30.351 29.762 0.254 0.000 1.731 213 H HN 0.581 nan 8.280 nan 0.000 0.532 214 L N 5.923 127.352 121.223 0.343 0.000 2.480 214 L HA 0.038 4.383 4.340 0.008 0.000 0.243 214 L C 0.659 177.577 176.870 0.081 0.000 1.315 214 L CA -0.169 54.769 54.840 0.163 0.000 1.231 214 L CB -0.395 41.757 42.059 0.155 0.000 1.444 214 L HN 0.662 nan 8.230 nan 0.000 0.409 215 N N 0.211 118.912 118.700 0.001 0.000 2.336 215 N HA 0.193 4.938 4.740 0.008 0.000 0.189 215 N C 1.159 176.699 175.510 0.050 0.000 1.113 215 N CA 0.522 53.576 53.050 0.006 0.000 0.858 215 N CB 0.413 38.844 38.487 -0.092 0.000 0.970 215 N HN 0.425 nan 8.380 nan 0.000 0.471 216 G N -1.614 107.144 108.800 -0.070 0.000 2.213 216 G HA2 -0.236 3.729 3.960 0.008 0.000 0.236 216 G HA3 -0.236 3.729 3.960 0.008 0.000 0.236 216 G C -0.530 173.862 174.900 -0.847 0.000 0.991 216 G CA 0.252 45.141 45.100 -0.352 0.000 0.629 216 G HN 0.374 nan 8.290 nan 0.000 0.517 217 Y N 0.453 120.807 120.300 0.090 0.000 2.581 217 Y HA 0.624 5.178 4.550 0.008 0.000 0.345 217 Y C 0.682 176.631 175.900 0.082 0.000 1.036 217 Y CA -0.604 57.569 58.100 0.123 0.000 1.042 217 Y CB 1.498 40.090 38.460 0.220 0.000 1.289 217 Y HN 0.272 nan 8.280 nan 0.000 0.471 218 K N 0.011 120.518 120.400 0.180 0.000 2.367 218 K HA 0.567 4.892 4.320 0.008 0.000 0.260 218 K C 0.595 177.137 176.600 -0.096 0.000 0.980 218 K CA -0.483 55.821 56.287 0.028 0.000 1.412 218 K CB 0.459 32.942 32.500 -0.028 0.000 2.934 218 K HN 0.500 nan 8.250 nan 0.000 0.985 219 I N 0.218 120.610 120.570 -0.298 0.000 2.233 219 I HA -0.127 4.048 4.170 0.008 0.000 0.243 219 I C 1.524 177.616 176.117 -0.043 0.000 1.093 219 I CA 1.705 62.768 61.300 -0.394 0.000 1.380 219 I CB -0.040 37.779 38.000 -0.302 0.000 1.067 219 I HN 0.693 nan 8.210 nan 0.000 0.413 220 A N -0.394 122.333 122.820 -0.155 0.000 2.538 220 A HA 0.360 4.685 4.320 0.008 0.000 0.276 220 A C -0.080 177.129 177.584 -0.626 0.000 0.908 220 A CA -0.384 51.359 52.037 -0.489 0.000 1.042 220 A CB 0.000 18.736 19.000 -0.440 0.000 1.218 220 A HN 0.232 nan 8.150 nan 0.000 0.517 221 N N 0.459 119.010 118.700 -0.248 0.000 2.610 221 N HA 0.489 5.234 4.740 0.008 0.000 0.264 221 N C -3.363 172.250 175.510 0.171 0.000 1.348 221 N CA -1.095 51.887 53.050 -0.113 0.000 0.819 221 N CB 2.582 41.008 38.487 -0.101 0.000 1.521 221 N HN -0.025 nan 8.380 nan 0.000 0.497 222 P HA 0.152 nan 4.420 nan 0.000 0.277 222 P C -0.393 176.852 177.300 -0.092 0.000 1.271 222 P CA -0.026 63.045 63.100 -0.049 0.000 0.795 222 P CB 0.172 31.837 31.700 -0.060 0.000 1.101 223 T N -2.605 111.848 114.554 -0.168 0.000 2.867 223 T HA 0.411 4.766 4.350 0.008 0.000 0.282 223 T C 1.565 176.213 174.700 -0.087 0.000 1.000 223 T CA -0.767 61.279 62.100 -0.089 0.000 1.042 223 T CB 0.302 69.132 68.868 -0.063 0.000 0.973 223 T HN 0.203 nan 8.240 nan 0.000 0.465 224 I N 1.305 121.837 120.570 -0.064 0.000 2.113 224 I HA -0.235 3.940 4.170 0.008 0.000 0.242 224 I C 2.302 178.369 176.117 -0.084 0.000 1.064 224 I CA 1.690 62.944 61.300 -0.076 0.000 1.320 224 I CB -0.421 37.532 38.000 -0.079 0.000 1.028 224 I HN 0.653 nan 8.210 nan 0.000 0.406 225 L N 0.324 121.513 121.223 -0.056 0.000 2.201 225 L HA -0.139 4.205 4.340 0.008 0.000 0.212 225 L C 2.678 179.538 176.870 -0.017 0.000 1.105 225 L CA 1.353 56.171 54.840 -0.037 0.000 0.775 225 L CB -0.624 41.467 42.059 0.053 0.000 0.913 225 L HN 0.378 nan 8.230 nan 0.000 0.440 226 S N -0.763 114.912 115.700 -0.042 0.000 2.461 226 S HA -0.030 4.445 4.470 0.008 0.000 0.228 226 S C 1.891 176.439 174.600 -0.088 0.000 1.005 226 S CA 0.276 58.435 58.200 -0.068 0.000 0.942 226 S CB -0.012 63.111 63.200 -0.129 0.000 0.776 226 S HN 0.338 nan 8.310 nan 0.000 0.514 227 R N 1.027 121.475 120.500 -0.088 0.000 2.437 227 R HA 0.440 4.785 4.340 0.008 0.000 0.257 227 R C 0.850 177.107 176.300 -0.071 0.000 0.927 227 R CA -0.090 55.961 56.100 -0.082 0.000 1.078 227 R CB -0.300 29.953 30.300 -0.079 0.000 1.161 227 R HN 0.668 nan 8.270 nan 0.000 0.529 228 I N -0.371 120.154 120.570 -0.076 0.000 3.021 228 I HA 0.218 4.393 4.170 0.008 0.000 0.303 228 I C 0.780 176.863 176.117 -0.058 0.000 1.044 228 I CA -0.774 60.480 61.300 -0.076 0.000 1.266 228 I CB 0.613 38.549 38.000 -0.107 0.000 1.447 228 I HN -0.120 nan 8.210 nan 0.000 0.593 229 S N 1.080 116.748 115.700 -0.054 0.000 2.563 229 S HA -0.041 4.434 4.470 0.008 0.000 0.284 229 S C 0.564 175.151 174.600 -0.021 0.000 1.331 229 S CA 0.103 58.276 58.200 -0.044 0.000 1.047 229 S CB 1.006 64.178 63.200 -0.047 0.000 0.859 229 S HN 0.854 nan 8.310 nan 0.000 0.514 230 D N 1.265 121.652 120.400 -0.022 0.000 2.144 230 D HA -0.157 4.488 4.640 0.008 0.000 0.199 230 D C 2.022 178.328 176.300 0.009 0.000 0.984 230 D CA 1.662 55.673 54.000 0.019 0.000 0.834 230 D CB 0.015 40.793 40.800 -0.037 0.000 0.955 230 D HN 0.761 nan 8.370 nan 0.000 0.465 231 E N 0.673 120.838 120.200 -0.059 0.000 2.106 231 E HA -0.199 4.156 4.350 0.008 0.000 0.192 231 E C 1.951 178.561 176.600 0.017 0.000 0.984 231 E CA 0.889 57.252 56.400 -0.062 0.000 0.806 231 E CB -0.697 28.955 29.700 -0.080 0.000 0.750 231 E HN 0.495 nan 8.360 nan 0.000 0.458 232 E N 0.681 120.885 120.200 0.007 0.000 2.077 232 E HA -0.134 4.221 4.350 0.008 0.000 0.193 232 E C 2.141 178.774 176.600 0.055 0.000 0.989 232 E CA 0.748 57.151 56.400 0.006 0.000 0.800 232 E CB -0.182 29.488 29.700 -0.050 0.000 0.746 232 E HN 0.066 nan 8.360 nan 0.000 0.452 233 L N 0.836 122.116 121.223 0.095 0.000 2.042 233 L HA -0.222 4.123 4.340 0.008 0.000 0.210 233 L C 2.035 179.112 176.870 0.345 0.000 1.076 233 L CA 1.893 56.844 54.840 0.186 0.000 0.749 233 L CB -0.352 41.852 42.059 0.242 0.000 0.893 233 L HN 0.250 nan 8.230 nan 0.000 0.432 234 H N -1.244 117.927 119.070 0.168 0.000 2.428 234 H HA -0.069 4.492 4.556 0.008 0.000 0.296 234 H C 1.943 177.377 175.328 0.177 0.000 1.062 234 H CA 1.238 57.402 56.048 0.194 0.000 1.350 234 H CB 0.352 30.163 29.762 0.081 0.000 1.403 234 H HN 0.529 nan 8.280 nan 0.000 0.533 235 E N 0.513 120.855 120.200 0.236 0.000 2.072 235 E HA -0.149 4.206 4.350 0.008 0.000 0.191 235 E C 1.891 178.600 176.600 0.182 0.000 0.985 235 E CA 0.534 57.035 56.400 0.169 0.000 0.801 235 E CB -0.104 29.656 29.700 0.100 0.000 0.750 235 E HN 0.226 nan 8.360 nan 0.000 0.452 236 F N 1.013 120.913 119.950 -0.084 0.000 2.063 236 F HA -0.268 4.264 4.527 0.007 0.000 0.298 236 F C 1.773 177.386 175.800 -0.312 0.000 1.109 236 F CA 1.556 59.386 58.000 -0.284 0.000 1.212 236 F CB -0.451 38.217 39.000 -0.553 0.000 0.973 236 F HN -0.055 nan 8.300 nan 0.000 0.480 237 F N -0.764 119.102 119.950 -0.140 0.000 2.259 237 F HA -0.137 4.396 4.527 0.010 0.000 0.298 237 F C 2.830 178.661 175.800 0.053 0.000 1.088 237 F CA 1.668 59.528 58.000 -0.235 0.000 1.358 237 F CB -1.249 37.609 39.000 -0.235 0.000 1.040 237 F HN 0.180 nan 8.300 nan 0.000 0.505 238 H N -0.098 119.083 119.070 0.186 0.000 2.363 238 H HA -0.045 4.516 4.556 0.008 0.000 0.301 238 H C 2.397 177.844 175.328 0.198 0.000 1.074 238 H CA 1.373 57.530 56.048 0.182 0.000 1.354 238 H CB -0.395 29.402 29.762 0.058 0.000 1.397 238 H HN 0.323 nan 8.280 nan 0.000 0.516 239 G N 0.251 109.153 108.800 0.171 0.000 2.448 239 G HA2 -0.194 3.771 3.960 0.008 0.000 0.219 239 G HA3 -0.194 3.771 3.960 0.008 0.000 0.219 239 G C 1.546 176.450 174.900 0.006 0.000 1.127 239 G CA 0.412 45.569 45.100 0.095 0.000 0.766 239 G HN 0.357 nan 8.290 nan 0.000 0.552 240 M N 0.401 119.976 119.600 -0.042 0.000 2.505 240 M HA 0.263 4.748 4.480 0.008 0.000 0.230 240 M C 1.540 177.771 176.300 -0.115 0.000 1.153 240 M CA 0.542 55.812 55.300 -0.049 0.000 0.997 240 M CB 0.620 33.181 32.600 -0.064 0.000 1.606 240 M HN 0.307 nan 8.290 nan 0.000 0.481 241 G N 0.289 109.022 108.800 -0.112 0.000 2.131 241 G HA2 -0.252 3.713 3.960 0.008 0.000 0.223 241 G HA3 -0.252 3.713 3.960 0.008 0.000 0.223 241 G C -0.471 174.272 174.900 -0.261 0.000 0.990 241 G CA -0.378 44.519 45.100 -0.338 0.000 0.671 241 G HN 0.454 nan 8.290 nan 0.000 0.521 242 Y N -0.496 119.941 120.300 0.228 0.000 2.534 242 Y HA 0.680 5.234 4.550 0.007 0.000 0.329 242 Y C 0.482 176.524 175.900 0.237 0.000 1.154 242 Y CA -1.233 57.025 58.100 0.263 0.000 1.192 242 Y CB 1.414 39.987 38.460 0.188 0.000 1.275 242 Y HN 0.063 nan 8.280 nan 0.000 0.491 243 E N 4.320 124.755 120.200 0.392 0.000 2.063 243 E HA 0.321 4.675 4.350 0.008 0.000 0.265 243 E C -2.824 173.861 176.600 0.142 0.000 0.919 243 E CA -2.811 53.717 56.400 0.213 0.000 0.756 243 E CB 0.766 30.568 29.700 0.171 0.000 1.120 243 E HN 0.149 nan 8.360 nan 0.000 0.414 244 P HA 0.104 nan 4.420 nan 0.000 0.282 244 P C -1.100 176.083 177.300 -0.195 0.000 1.262 244 P CA -0.134 62.918 63.100 -0.080 0.000 0.773 244 P CB 0.377 31.955 31.700 -0.203 0.000 0.879 245 Y N 0.630 120.892 120.300 -0.063 0.000 2.446 245 Y HA 0.483 5.038 4.550 0.008 0.000 0.338 245 Y C 0.932 176.854 175.900 0.037 0.000 1.055 245 Y CA -0.508 57.603 58.100 0.018 0.000 1.101 245 Y CB 2.344 40.818 38.460 0.023 0.000 1.221 245 Y HN 0.362 nan 8.280 nan 0.000 0.460 246 E N 2.424 122.793 120.200 0.282 0.000 2.256 246 E HA 0.405 4.760 4.350 0.008 0.000 0.268 246 E C -2.137 174.675 176.600 0.354 0.000 0.877 246 E CA -0.751 55.811 56.400 0.269 0.000 0.757 246 E CB 1.468 31.323 29.700 0.258 0.000 1.183 246 E HN 0.502 nan 8.360 nan 0.000 0.418 247 F N 4.609 124.693 119.950 0.223 0.000 2.507 247 F HA 0.528 5.059 4.527 0.008 0.000 0.325 247 F C -1.543 174.317 175.800 0.100 0.000 1.116 247 F CA -0.591 57.549 58.000 0.233 0.000 0.930 247 F CB 1.353 40.629 39.000 0.461 0.000 1.146 247 F HN 0.210 nan 8.300 nan 0.000 0.447 248 V N 5.133 124.690 119.914 -0.594 0.000 2.540 248 V HA 0.956 5.081 4.120 0.008 0.000 0.302 248 V C -0.535 175.174 176.094 -0.642 0.000 1.035 248 V CA -0.447 61.590 62.300 -0.438 0.000 0.873 248 V CB 1.088 32.763 31.823 -0.247 0.000 0.992 248 V HN 1.072 nan 8.190 nan 0.000 0.428 249 A N 2.589 125.129 122.820 -0.466 0.000 2.608 249 A HA 0.803 5.128 4.320 0.008 0.000 0.292 249 A C 0.560 177.800 177.584 -0.574 0.000 1.066 249 A CA 0.108 51.900 52.037 -0.410 0.000 0.676 249 A CB 1.317 20.126 19.000 -0.318 0.000 1.277 249 A HN 2.117 nan 8.150 nan 0.000 0.413 250 G N -1.230 107.381 108.800 -0.314 0.000 2.176 250 G HA2 -0.223 3.742 3.960 0.008 0.000 0.253 250 G HA3 -0.223 3.742 3.960 0.008 0.000 0.253 250 G C 0.391 174.990 174.900 -0.502 0.000 0.979 250 G CA 0.885 45.721 45.100 -0.441 0.000 0.641 250 G HN 1.036 nan 8.290 nan 0.000 0.530 251 F N 1.995 121.838 119.950 -0.177 0.000 2.765 251 F HA 0.325 4.856 4.527 0.008 0.000 0.302 251 F C 1.462 177.242 175.800 -0.032 0.000 1.111 251 F CA 0.734 58.666 58.000 -0.113 0.000 1.359 251 F CB 0.303 39.222 39.000 -0.134 0.000 1.097 251 F HN 0.418 nan 8.300 nan 0.000 0.577 252 D N -2.815 117.649 120.400 0.106 0.000 3.076 252 D HA 0.144 4.789 4.640 0.008 0.000 0.301 252 D C -0.350 176.013 176.300 0.106 0.000 1.260 252 D CA -0.532 53.528 54.000 0.100 0.000 1.027 252 D CB 0.011 40.864 40.800 0.088 0.000 1.370 252 D HN -0.286 nan 8.370 nan 0.000 0.602 253 D N -0.488 119.969 120.400 0.095 0.000 2.427 253 D HA 0.082 4.727 4.640 0.008 0.000 0.224 253 D C -0.186 176.181 176.300 0.112 0.000 1.157 253 D CA -0.128 53.930 54.000 0.097 0.000 0.828 253 D CB -0.019 40.820 40.800 0.066 0.000 0.974 253 D HN 0.425 nan 8.370 nan 0.000 0.498 254 E N 2.015 122.297 120.200 0.136 0.000 2.529 254 E HA -0.037 4.318 4.350 0.008 0.000 0.259 254 E C -0.259 176.467 176.600 0.210 0.000 0.966 254 E CA -0.234 56.260 56.400 0.156 0.000 0.937 254 E CB 0.509 30.306 29.700 0.163 0.000 0.923 254 E HN 0.218 nan 8.360 nan 0.000 0.468 255 D N 2.380 122.881 120.400 0.169 0.000 2.399 255 D HA -0.043 4.602 4.640 0.008 0.000 0.241 255 D C 0.601 177.080 176.300 0.298 0.000 1.133 255 D CA 0.130 54.224 54.000 0.158 0.000 0.890 255 D CB 0.669 41.532 40.800 0.104 0.000 1.201 255 D HN 0.536 nan 8.370 nan 0.000 0.432 256 H N 0.465 119.658 119.070 0.205 0.000 2.387 256 H HA -0.125 4.436 4.556 0.009 0.000 0.299 256 H C 1.698 177.137 175.328 0.184 0.000 1.090 256 H CA 0.741 56.930 56.048 0.234 0.000 1.332 256 H CB 0.085 30.067 29.762 0.368 0.000 1.386 256 H HN 0.391 nan 8.280 nan 0.000 0.516 257 M N 0.257 120.082 119.600 0.375 0.000 2.149 257 M HA -0.180 4.305 4.480 0.008 0.000 0.261 257 M C 2.623 179.100 176.300 0.294 0.000 1.064 257 M CA 1.076 56.586 55.300 0.350 0.000 1.102 257 M CB -0.917 31.827 32.600 0.240 0.000 1.369 257 M HN 0.200 nan 8.290 nan 0.000 0.408 258 S N 0.326 116.176 115.700 0.249 0.000 2.382 258 S HA -0.079 4.396 4.470 0.008 0.000 0.228 258 S C 1.932 176.704 174.600 0.286 0.000 1.027 258 S CA 0.884 59.224 58.200 0.233 0.000 0.991 258 S CB -0.174 63.140 63.200 0.190 0.000 0.823 258 S HN 0.456 nan 8.310 nan 0.000 0.469 259 I N 1.053 121.802 120.570 0.299 0.000 2.202 259 I HA -0.155 4.020 4.170 0.008 0.000 0.242 259 I C 2.528 178.929 176.117 0.474 0.000 1.091 259 I CA 1.382 62.918 61.300 0.393 0.000 1.368 259 I CB -0.608 37.605 38.000 0.354 0.000 1.058 259 I HN 0.377 nan 8.210 nan 0.000 0.410 260 H N 0.558 119.915 119.070 0.479 0.000 2.387 260 H HA -0.153 4.408 4.556 0.008 0.000 0.299 260 H C 2.421 177.967 175.328 0.363 0.000 1.099 260 H CA 1.456 57.757 56.048 0.422 0.000 1.315 260 H CB -0.289 29.619 29.762 0.244 0.000 1.380 260 H HN 0.226 nan 8.280 nan 0.000 0.513 261 R N 0.682 121.422 120.500 0.401 0.000 2.062 261 R HA -0.021 4.324 4.340 0.008 0.000 0.231 261 R C 2.662 179.134 176.300 0.287 0.000 1.136 261 R CA 0.977 57.250 56.100 0.288 0.000 0.948 261 R CB 0.061 30.500 30.300 0.233 0.000 0.845 261 R HN 0.199 nan 8.270 nan 0.000 0.430 262 R N -1.048 119.662 120.500 0.349 0.000 2.091 262 R HA -0.175 4.170 4.340 0.008 0.000 0.238 262 R C 2.195 178.729 176.300 0.390 0.000 1.136 262 R CA 1.777 58.114 56.100 0.394 0.000 0.959 262 R CB -0.468 30.126 30.300 0.489 0.000 0.856 262 R HN 0.237 nan 8.270 nan 0.000 0.437 263 F N 1.175 121.246 119.950 0.201 0.000 2.113 263 F HA -0.101 4.431 4.527 0.008 0.000 0.297 263 F C 2.351 178.073 175.800 -0.130 0.000 1.103 263 F CA 1.345 59.187 58.000 -0.263 0.000 1.248 263 F CB -0.224 38.410 39.000 -0.610 0.000 0.999 263 F HN -0.018 nan 8.300 nan 0.000 0.475 264 A N -0.255 122.606 122.820 0.069 0.000 1.972 264 A HA -0.252 4.073 4.320 0.008 0.000 0.219 264 A C 2.168 179.800 177.584 0.080 0.000 1.169 264 A CA 1.892 53.987 52.037 0.098 0.000 0.635 264 A CB -0.933 18.203 19.000 0.226 0.000 0.810 264 A HN 0.610 nan 8.150 nan 0.000 0.446 265 E N -0.625 119.626 120.200 0.086 0.000 2.072 265 E HA -0.146 4.209 4.350 0.008 0.000 0.190 265 E C 1.899 178.522 176.600 0.038 0.000 0.982 265 E CA 1.042 57.497 56.400 0.092 0.000 0.803 265 E CB -0.197 29.577 29.700 0.123 0.000 0.755 265 E HN 0.433 nan 8.360 nan 0.000 0.453 266 L N 1.064 122.276 121.223 -0.018 0.000 2.017 266 L HA -0.172 4.173 4.340 0.008 0.000 0.208 266 L C 2.168 178.903 176.870 -0.225 0.000 1.073 266 L CA 1.934 56.724 54.840 -0.084 0.000 0.745 266 L CB -0.794 41.234 42.059 -0.052 0.000 0.894 266 L HN 0.420 nan 8.230 nan 0.000 0.432 267 W N 0.698 121.666 121.300 -0.554 0.000 2.335 267 W HA -0.228 4.437 4.660 0.007 0.000 0.311 267 W C 2.192 178.582 176.519 -0.214 0.000 1.213 267 W CA 2.005 59.047 57.345 -0.505 0.000 1.274 267 W CB -0.062 29.049 29.460 -0.583 0.000 1.148 267 W HN 0.279 nan 8.180 nan 0.000 0.498 268 E N -0.438 119.841 120.200 0.132 0.000 2.153 268 E HA -0.162 4.193 4.350 0.008 0.000 0.194 268 E C 1.979 178.615 176.600 0.060 0.000 0.988 268 E CA 1.981 58.491 56.400 0.184 0.000 0.811 268 E CB -0.812 29.041 29.700 0.254 0.000 0.746 268 E HN 0.257 nan 8.360 nan 0.000 0.466 269 T N 1.529 116.062 114.554 -0.036 0.000 2.777 269 T HA -0.052 4.303 4.350 0.008 0.000 0.266 269 T C 2.138 176.708 174.700 -0.217 0.000 1.040 269 T CA 0.700 62.764 62.100 -0.060 0.000 1.141 269 T CB -0.156 68.701 68.868 -0.018 0.000 0.868 269 T HN 0.092 nan 8.240 nan 0.000 0.444 270 I N 0.030 120.326 120.570 -0.457 0.000 2.179 270 I HA -0.178 3.997 4.170 0.008 0.000 0.242 270 I C 2.435 178.303 176.117 -0.415 0.000 1.088 270 I CA 1.297 62.192 61.300 -0.676 0.000 1.357 270 I CB -0.247 37.223 38.000 -0.884 0.000 1.051 270 I HN 0.451 nan 8.210 nan 0.000 0.409 271 W N 2.126 123.080 121.300 -0.576 0.000 2.363 271 W HA -0.235 4.430 4.660 0.007 0.000 0.296 271 W C 1.966 178.368 176.519 -0.195 0.000 1.212 271 W CA 1.481 58.563 57.345 -0.439 0.000 1.260 271 W CB -0.161 29.066 29.460 -0.389 0.000 1.131 271 W HN 0.214 nan 8.180 nan 0.000 0.530 272 D N 0.463 120.809 120.400 -0.090 0.000 2.149 272 D HA -0.250 4.395 4.640 0.008 0.000 0.198 272 D C 1.801 177.982 176.300 -0.199 0.000 0.990 272 D CA 2.008 55.940 54.000 -0.113 0.000 0.839 272 D CB -0.498 40.297 40.800 -0.009 0.000 0.948 272 D HN 0.238 nan 8.370 nan 0.000 0.460 273 E N 0.534 120.619 120.200 -0.191 0.000 2.072 273 E HA -0.076 4.279 4.350 0.008 0.000 0.191 273 E C 2.128 178.579 176.600 -0.248 0.000 0.985 273 E CA 0.599 56.906 56.400 -0.155 0.000 0.801 273 E CB -0.381 29.290 29.700 -0.048 0.000 0.750 273 E HN 0.275 nan 8.360 nan 0.000 0.452 274 I N -0.031 120.316 120.570 -0.372 0.000 2.163 274 I HA -0.380 3.795 4.170 0.008 0.000 0.243 274 I C 2.305 178.072 176.117 -0.583 0.000 1.085 274 I CA 1.083 62.086 61.300 -0.494 0.000 1.347 274 I CB -0.278 37.332 38.000 -0.650 0.000 1.044 274 I HN 0.281 nan 8.210 nan 0.000 0.408 275 C N 0.505 119.398 119.300 -0.678 0.000 2.413 275 C HA -0.178 4.287 4.460 0.008 0.000 0.276 275 C C 2.447 177.276 174.990 -0.269 0.000 1.248 275 C CA 0.758 59.508 59.018 -0.446 0.000 1.742 275 C CB -1.084 26.437 27.740 -0.366 0.000 2.017 275 C HN 0.529 nan 8.230 nan 0.000 0.481 276 D N 0.890 121.155 120.400 -0.226 0.000 2.104 276 D HA -0.097 4.548 4.640 0.008 0.000 0.194 276 D C 1.912 178.101 176.300 -0.185 0.000 0.994 276 D CA 1.160 55.063 54.000 -0.161 0.000 0.830 276 D CB -0.444 40.283 40.800 -0.122 0.000 0.959 276 D HN 0.458 nan 8.370 nan 0.000 0.452 277 I N 0.689 121.117 120.570 -0.236 0.000 2.163 277 I HA -0.253 3.922 4.170 0.008 0.000 0.243 277 I C 2.422 178.366 176.117 -0.288 0.000 1.085 277 I CA 1.058 62.199 61.300 -0.265 0.000 1.347 277 I CB -0.070 37.741 38.000 -0.314 0.000 1.044 277 I HN -0.084 nan 8.210 nan 0.000 0.408 278 K N 0.742 120.915 120.400 -0.378 0.000 2.057 278 K HA -0.111 4.214 4.320 0.008 0.000 0.207 278 K C 2.191 178.643 176.600 -0.248 0.000 1.049 278 K CA 1.565 57.587 56.287 -0.442 0.000 0.931 278 K CB -0.394 31.642 32.500 -0.773 0.000 0.714 278 K HN 0.325 nan 8.250 nan 0.000 0.440 279 A N 0.724 123.441 122.820 -0.173 0.000 1.877 279 A HA -0.141 4.184 4.320 0.008 0.000 0.216 279 A C 2.339 179.869 177.584 -0.090 0.000 1.186 279 A CA 2.264 54.246 52.037 -0.093 0.000 0.620 279 A CB -1.034 17.930 19.000 -0.061 0.000 0.822 279 A HN 0.312 nan 8.150 nan 0.000 0.443 280 T N 0.570 115.060 114.554 -0.107 0.000 2.699 280 T HA -0.132 4.223 4.350 0.008 0.000 0.268 280 T C 2.141 176.790 174.700 -0.085 0.000 1.036 280 T CA 1.790 63.836 62.100 -0.089 0.000 1.147 280 T CB -0.522 68.285 68.868 -0.101 0.000 0.862 280 T HN 0.628 nan 8.240 nan 0.000 0.446 281 A N 1.446 124.197 122.820 -0.116 0.000 2.024 281 A HA -0.151 4.173 4.320 0.008 0.000 0.220 281 A C 2.279 179.820 177.584 -0.072 0.000 1.164 281 A CA 1.139 53.113 52.037 -0.105 0.000 0.643 281 A CB -0.445 18.469 19.000 -0.142 0.000 0.806 281 A HN 0.359 nan 8.150 nan 0.000 0.451 282 Q N -0.624 119.138 119.800 -0.063 0.000 2.291 282 Q HA -0.084 4.261 4.340 0.008 0.000 0.206 282 Q C 1.628 177.614 176.000 -0.022 0.000 0.976 282 Q CA 1.900 57.684 55.803 -0.031 0.000 0.875 282 Q CB -0.713 28.016 28.738 -0.016 0.000 0.927 282 Q HN 0.663 nan 8.270 nan 0.000 0.450 283 T N -0.185 114.352 114.554 -0.029 0.000 3.056 283 T HA 0.012 4.367 4.350 0.008 0.000 0.241 283 T C 0.026 174.716 174.700 -0.017 0.000 1.006 283 T CA 0.348 62.436 62.100 -0.019 0.000 1.115 283 T CB 0.368 69.225 68.868 -0.020 0.000 0.939 283 T HN 0.096 nan 8.240 nan 0.000 0.462 284 D N 2.235 122.622 120.400 -0.021 0.000 2.469 284 D HA 0.198 4.843 4.640 0.008 0.000 0.251 284 D C -0.542 175.742 176.300 -0.026 0.000 1.173 284 D CA -0.589 53.411 54.000 -0.000 0.000 0.882 284 D CB 0.453 41.276 40.800 0.037 0.000 1.129 284 D HN 0.160 nan 8.370 nan 0.000 0.549 285 N N 3.302 121.968 118.700 -0.056 0.000 2.401 285 N HA 0.027 4.772 4.740 0.008 0.000 0.264 285 N C -0.179 175.247 175.510 -0.141 0.000 1.238 285 N CA -0.222 52.776 53.050 -0.087 0.000 0.889 285 N CB 0.628 39.069 38.487 -0.077 0.000 1.196 285 N HN 0.184 nan 8.380 nan 0.000 0.511 286 V N -0.226 119.582 119.914 -0.177 0.000 3.645 286 V HA 0.192 4.317 4.120 0.008 0.000 0.275 286 V C -0.516 175.273 176.094 -0.509 0.000 1.356 286 V CA 0.301 62.393 62.300 -0.347 0.000 1.051 286 V CB -0.426 31.165 31.823 -0.387 0.000 0.828 286 V HN 0.316 nan 8.190 nan 0.000 0.441 287 H N 0.352 119.355 119.070 -0.113 0.000 2.539 287 H HA 0.488 5.048 4.556 0.008 0.000 0.332 287 H C 0.225 175.459 175.328 -0.156 0.000 1.031 287 H CA -0.534 55.446 56.048 -0.113 0.000 1.206 287 H CB 0.846 30.551 29.762 -0.095 0.000 1.446 287 H HN 0.090 nan 8.280 nan 0.000 0.496 288 R N 4.700 125.133 120.500 -0.111 0.000 2.449 288 R HA 0.112 4.457 4.340 0.008 0.000 0.296 288 R C -2.173 173.946 176.300 -0.300 0.000 1.047 288 R CA -1.185 54.791 56.100 -0.207 0.000 1.018 288 R CB 0.264 30.417 30.300 -0.245 0.000 0.962 288 R HN 0.493 nan 8.270 nan 0.000 0.428 289 P HA 0.099 nan 4.420 nan 0.000 0.276 289 P C -0.980 175.984 177.300 -0.560 0.000 1.252 289 P CA -0.309 62.523 63.100 -0.447 0.000 0.802 289 P CB 0.506 31.856 31.700 -0.582 0.000 1.035 290 F N 0.374 120.137 119.950 -0.310 0.000 2.438 290 F HA 0.205 4.737 4.527 0.007 0.000 0.360 290 F C 0.649 176.345 175.800 -0.174 0.000 1.118 290 F CA 0.125 57.991 58.000 -0.223 0.000 1.164 290 F CB -0.144 38.762 39.000 -0.158 0.000 1.131 290 F HN 0.153 nan 8.300 nan 0.000 0.527 291 Y N 4.319 124.634 120.300 0.025 0.000 2.309 291 Y HA 0.272 4.827 4.550 0.009 0.000 0.327 291 Y C -1.865 174.201 175.900 0.278 0.000 1.172 291 Y CA -2.517 55.649 58.100 0.109 0.000 1.280 291 Y CB 0.116 38.634 38.460 0.097 0.000 1.234 291 Y HN 0.419 nan 8.280 nan 0.000 0.512 292 P HA 0.007 nan 4.420 nan 0.000 0.268 292 P C -0.871 176.639 177.300 0.351 0.000 1.208 292 P CA 0.130 63.454 63.100 0.374 0.000 0.777 292 P CB 0.459 32.229 31.700 0.116 0.000 0.875 293 M N 1.689 121.444 119.600 0.257 0.000 2.575 293 M HA 0.653 5.138 4.480 0.008 0.000 0.284 293 M C -1.856 174.443 176.300 -0.002 0.000 1.253 293 M CA -1.089 54.220 55.300 0.015 0.000 0.861 293 M CB 1.438 33.846 32.600 -0.319 0.000 1.733 293 M HN -0.012 nan 8.290 nan 0.000 0.462 294 L N 2.473 123.675 121.223 -0.034 0.000 2.313 294 L HA 0.737 5.082 4.340 0.008 0.000 0.283 294 L C -1.642 175.255 176.870 0.045 0.000 1.013 294 L CA -0.532 54.344 54.840 0.060 0.000 0.816 294 L CB 1.219 43.349 42.059 0.119 0.000 1.236 294 L HN 0.840 nan 8.230 nan 0.000 0.419 295 I N 5.684 126.294 120.570 0.068 0.000 2.301 295 I HA 0.206 4.381 4.170 0.008 0.000 0.292 295 I C -0.948 175.368 176.117 0.332 0.000 1.046 295 I CA -0.088 61.280 61.300 0.113 0.000 1.282 295 I CB 0.590 38.600 38.000 0.018 0.000 1.409 295 I HN 0.528 nan 8.210 nan 0.000 0.484 296 F N 7.562 127.637 119.950 0.208 0.000 2.311 296 F HA 0.421 4.953 4.527 0.007 0.000 0.371 296 F C 0.181 176.120 175.800 0.232 0.000 1.083 296 F CA -0.689 57.482 58.000 0.284 0.000 1.113 296 F CB 0.421 39.571 39.000 0.250 0.000 1.349 296 F HN 0.337 nan 8.300 nan 0.000 0.470 297 R N 4.991 125.433 120.500 -0.095 0.000 2.233 297 R HA 0.454 4.799 4.340 0.008 0.000 0.334 297 R C -0.892 175.258 176.300 -0.251 0.000 1.037 297 R CA 0.028 56.071 56.100 -0.095 0.000 0.920 297 R CB 0.468 30.749 30.300 -0.031 0.000 1.137 297 R HN 0.771 nan 8.270 nan 0.000 0.492 298 T N 1.045 115.386 114.554 -0.355 0.000 2.865 298 T HA 0.562 4.917 4.350 0.008 0.000 0.294 298 T C -2.930 171.429 174.700 -0.569 0.000 1.119 298 T CA -2.392 59.259 62.100 -0.750 0.000 1.007 298 T CB 2.141 70.216 68.868 -1.322 0.000 1.225 298 T HN 0.223 nan 8.240 nan 0.000 0.515 299 P HA 0.317 nan 4.420 nan 0.000 0.276 299 P C -0.612 176.614 177.300 -0.123 0.000 1.230 299 P CA -0.563 62.215 63.100 -0.537 0.000 0.776 299 P CB 0.410 31.681 31.700 -0.715 0.000 0.888 300 K N 2.357 122.796 120.400 0.065 0.000 2.448 300 K HA 0.291 4.616 4.320 0.008 0.000 0.278 300 K C 1.161 177.837 176.600 0.127 0.000 1.009 300 K CA 0.841 57.205 56.287 0.128 0.000 0.995 300 K CB -0.632 32.004 32.500 0.226 0.000 0.917 300 K HN 0.742 nan 8.250 nan 0.000 0.481 301 G N 3.494 112.375 108.800 0.135 0.000 2.162 301 G HA2 -0.258 3.707 3.960 0.008 0.000 0.260 301 G HA3 -0.258 3.707 3.960 0.008 0.000 0.260 301 G C -0.266 174.926 174.900 0.487 0.000 0.976 301 G CA 0.052 45.298 45.100 0.243 0.000 0.655 301 G HN 0.794 nan 8.290 nan 0.000 0.533 302 W N 1.522 122.903 121.300 0.135 0.000 2.598 302 W HA 0.162 4.827 4.660 0.008 0.000 0.334 302 W C 1.624 178.347 176.519 0.340 0.000 1.006 302 W CA 2.459 59.901 57.345 0.162 0.000 1.121 302 W CB -0.572 28.982 29.460 0.157 0.000 1.094 302 W HN 1.634 nan 8.180 nan 0.000 0.558 303 T N -0.002 114.844 114.554 0.488 0.000 5.983 303 T HA -0.312 4.043 4.350 0.008 0.000 0.274 303 T C 0.656 175.478 174.700 0.204 0.000 2.195 303 T CA 0.894 63.163 62.100 0.282 0.000 3.709 303 T CB -2.562 66.390 68.868 0.140 0.000 0.873 303 T HN 1.262 nan 8.240 nan 0.000 1.045 304 C N 1.262 120.644 119.300 0.137 0.000 2.560 304 C HA 0.786 5.251 4.460 0.008 0.000 0.334 304 C C -1.889 172.748 174.990 -0.588 0.000 1.404 304 C CA -1.821 56.790 59.018 -0.678 0.000 2.410 304 C CB -0.419 26.818 27.740 -0.839 0.000 2.268 304 C HN 0.444 nan 8.230 nan 0.000 0.673 305 P HA 0.142 nan 4.420 nan 0.000 0.264 305 P C 0.147 177.255 177.300 -0.320 0.000 1.183 305 P CA 0.418 63.251 63.100 -0.445 0.000 0.763 305 P CB 0.364 31.805 31.700 -0.432 0.000 0.807 306 K N 1.903 122.180 120.400 -0.205 0.000 2.057 306 K HA -0.078 4.246 4.320 0.008 0.000 0.206 306 K C 0.091 176.363 176.600 -0.547 0.000 1.050 306 K CA 1.430 57.554 56.287 -0.272 0.000 0.935 306 K CB -0.140 32.312 32.500 -0.080 0.000 0.715 306 K HN 0.478 nan 8.250 nan 0.000 0.439 307 Y N -0.460 119.762 120.300 -0.129 0.000 2.425 307 Y HA 0.448 5.004 4.550 0.009 0.000 0.344 307 Y C -0.446 175.380 175.900 -0.124 0.000 0.969 307 Y CA -1.008 57.022 58.100 -0.118 0.000 1.052 307 Y CB 1.606 40.016 38.460 -0.083 0.000 1.215 307 Y HN -0.181 nan 8.280 nan 0.000 0.451 308 I N 3.077 123.645 120.570 -0.004 0.000 2.466 308 I HA 0.228 4.403 4.170 0.008 0.000 0.289 308 I C -0.896 175.240 176.117 0.031 0.000 1.026 308 I CA -0.814 60.477 61.300 -0.016 0.000 1.078 308 I CB 1.802 39.743 38.000 -0.098 0.000 1.249 308 I HN 0.689 nan 8.210 nan 0.000 0.429 309 D N 5.342 125.781 120.400 0.066 0.000 2.692 309 D HA -0.206 4.439 4.640 0.008 0.000 0.233 309 D C 1.186 177.520 176.300 0.057 0.000 1.172 309 D CA 1.714 55.758 54.000 0.073 0.000 0.636 309 D CB -0.884 39.978 40.800 0.104 0.000 1.028 309 D HN 1.152 nan 8.370 nan 0.000 0.419 310 G N -1.199 107.640 108.800 0.066 0.000 2.189 310 G HA2 -0.362 3.603 3.960 0.008 0.000 0.267 310 G HA3 -0.362 3.603 3.960 0.008 0.000 0.267 310 G C 0.243 175.226 174.900 0.137 0.000 0.975 310 G CA 0.650 45.788 45.100 0.064 0.000 0.644 310 G HN 0.348 nan 8.290 nan 0.000 0.537 311 K N 0.610 121.082 120.400 0.120 0.000 2.213 311 K HA 0.393 4.718 4.320 0.008 0.000 0.270 311 K C 0.336 176.916 176.600 -0.034 0.000 1.002 311 K CA -0.879 55.434 56.287 0.044 0.000 0.868 311 K CB 1.704 34.165 32.500 -0.065 0.000 1.093 311 K HN 0.346 nan 8.250 nan 0.000 0.454 312 K N 1.682 122.004 120.400 -0.131 0.000 2.453 312 K HA -0.013 4.312 4.320 0.008 0.000 0.280 312 K C 0.007 176.286 176.600 -0.535 0.000 1.045 312 K CA 0.698 56.623 56.287 -0.603 0.000 1.059 312 K CB 0.429 32.675 32.500 -0.422 0.000 0.901 312 K HN 0.503 nan 8.250 nan 0.000 0.475 313 T N 2.745 116.968 114.554 -0.552 0.000 3.238 313 T HA -0.027 4.328 4.350 0.008 0.000 0.242 313 T C -0.132 174.380 174.700 -0.313 0.000 0.980 313 T CA -0.192 61.667 62.100 -0.401 0.000 1.235 313 T CB -0.068 68.607 68.868 -0.322 0.000 1.069 313 T HN 0.678 nan 8.240 nan 0.000 0.407 314 E N 1.229 121.258 120.200 -0.285 0.000 2.414 314 E HA 0.308 4.663 4.350 0.008 0.000 0.263 314 E C 0.602 177.089 176.600 -0.188 0.000 1.000 314 E CA 0.649 56.959 56.400 -0.149 0.000 0.914 314 E CB 0.064 29.700 29.700 -0.106 0.000 0.948 314 E HN 0.621 nan 8.360 nan 0.000 0.444 315 G N 2.770 111.506 108.800 -0.105 0.000 2.212 315 G HA2 -0.246 3.718 3.960 0.008 0.000 0.255 315 G HA3 -0.246 3.718 3.960 0.008 0.000 0.255 315 G C -0.133 174.655 174.900 -0.188 0.000 1.062 315 G CA 0.500 45.568 45.100 -0.054 0.000 0.815 315 G HN 0.611 nan 8.290 nan 0.000 0.497 316 S N -1.258 114.196 115.700 -0.411 0.000 2.570 316 S HA 0.614 5.089 4.470 0.008 0.000 0.270 316 S C 1.214 175.327 174.600 -0.812 0.000 1.149 316 S CA 0.045 57.664 58.200 -0.969 0.000 0.837 316 S CB 0.425 63.131 63.200 -0.824 0.000 1.124 316 S HN 0.962 nan 8.310 nan 0.000 0.465 317 W N 2.919 123.734 121.300 -0.808 0.000 2.350 317 W HA -0.084 4.584 4.660 0.013 0.000 0.289 317 W C 1.202 177.702 176.519 -0.033 0.000 1.215 317 W CA 0.708 57.950 57.345 -0.172 0.000 1.236 317 W CB -0.890 28.539 29.460 -0.053 0.000 1.130 317 W HN 0.688 nan 8.180 nan 0.000 0.541 318 R N 1.376 121.432 120.500 -0.740 0.000 2.170 318 R HA -0.154 4.191 4.340 0.008 0.000 0.242 318 R C 2.395 178.626 176.300 -0.114 0.000 1.145 318 R CA 2.134 57.951 56.100 -0.472 0.000 0.984 318 R CB -0.582 29.255 30.300 -0.773 0.000 0.869 318 R HN 0.268 nan 8.270 nan 0.000 0.455 319 S N -0.711 114.951 115.700 -0.062 0.000 2.603 319 S HA -0.085 4.390 4.470 0.008 0.000 0.220 319 S C 1.466 176.231 174.600 0.276 0.000 0.967 319 S CA 0.468 58.748 58.200 0.135 0.000 0.920 319 S CB -0.129 63.173 63.200 0.170 0.000 0.773 319 S HN 0.437 nan 8.310 nan 0.000 0.529 320 H N 1.168 120.357 119.070 0.197 0.000 2.319 320 H HA 0.001 4.563 4.556 0.010 0.000 0.299 320 H C 2.177 177.700 175.328 0.325 0.000 1.092 320 H CA 2.370 58.576 56.048 0.263 0.000 1.302 320 H CB -0.034 29.888 29.762 0.266 0.000 1.373 320 H HN 0.408 nan 8.280 nan 0.000 0.497 321 Q N 0.285 120.192 119.800 0.179 0.000 2.263 321 Q HA 0.150 4.495 4.340 0.008 0.000 0.258 321 Q C -0.005 176.037 176.000 0.069 0.000 0.993 321 Q CA 0.761 56.574 55.803 0.016 0.000 0.820 321 Q CB 0.044 28.833 28.738 0.085 0.000 1.737 321 Q HN 0.269 nan 8.270 nan 0.000 0.522 322 V N 0.466 120.423 119.914 0.071 0.000 2.427 322 V HA 0.355 4.480 4.120 0.008 0.000 0.286 322 V C -2.042 174.152 176.094 0.167 0.000 1.034 322 V CA -1.386 60.998 62.300 0.141 0.000 0.893 322 V CB 1.213 33.056 31.823 0.034 0.000 0.982 322 V HN 0.386 nan 8.190 nan 0.000 0.452 323 P HA 0.098 nan 4.420 nan 0.000 0.224 323 P C 0.150 177.429 177.300 -0.035 0.000 1.157 323 P CA 0.427 63.542 63.100 0.025 0.000 0.799 323 P CB 0.400 32.017 31.700 -0.137 0.000 0.809 324 L N -0.552 120.713 121.223 0.071 0.000 2.287 324 L HA 0.623 4.968 4.340 0.008 0.000 0.287 324 L C 1.118 178.048 176.870 0.100 0.000 1.022 324 L CA -0.670 54.181 54.840 0.018 0.000 0.814 324 L CB 1.239 43.332 42.059 0.056 0.000 1.217 324 L HN -0.196 nan 8.230 nan 0.000 0.420 325 A N 3.209 126.001 122.820 -0.047 0.000 2.030 325 A HA 0.319 4.644 4.320 0.008 0.000 0.215 325 A C 0.746 178.326 177.584 -0.007 0.000 1.164 325 A CA 0.900 52.922 52.037 -0.025 0.000 0.697 325 A CB -0.195 18.772 19.000 -0.055 0.000 0.827 325 A HN 0.796 nan 8.150 nan 0.000 0.457 326 S N -2.748 112.942 115.700 -0.016 0.000 2.543 326 S HA 0.594 5.069 4.470 0.008 0.000 0.273 326 S C -0.332 174.345 174.600 0.129 0.000 1.152 326 S CA 0.205 58.441 58.200 0.061 0.000 0.910 326 S CB 1.417 64.650 63.200 0.053 0.000 1.105 326 S HN 1.112 nan 8.310 nan 0.000 0.465 327 A N 3.105 126.050 122.820 0.207 0.000 2.469 327 A HA 0.430 4.755 4.320 0.008 0.000 0.245 327 A C 1.607 179.328 177.584 0.228 0.000 1.221 327 A CA -0.323 51.866 52.037 0.254 0.000 0.946 327 A CB 0.061 19.217 19.000 0.260 0.000 1.049 327 A HN 0.768 nan 8.150 nan 0.000 0.529 328 R N 0.356 120.933 120.500 0.129 0.000 2.237 328 R HA -0.023 4.322 4.340 0.008 0.000 0.195 328 R C 1.225 177.546 176.300 0.035 0.000 0.956 328 R CA 1.115 57.232 56.100 0.029 0.000 1.029 328 R CB 0.101 30.382 30.300 -0.031 0.000 0.972 328 R HN 0.662 nan 8.270 nan 0.000 0.493 329 D N 0.016 120.473 120.400 0.095 0.000 2.103 329 D HA -0.097 4.548 4.640 0.008 0.000 0.199 329 D C 0.974 177.309 176.300 0.059 0.000 0.978 329 D CA 1.185 55.236 54.000 0.086 0.000 0.829 329 D CB -0.312 40.564 40.800 0.126 0.000 0.981 329 D HN 0.074 nan 8.370 nan 0.000 0.464 330 T N -3.502 111.101 114.554 0.082 0.000 2.907 330 T HA 0.392 4.747 4.350 0.008 0.000 0.292 330 T C 0.719 175.435 174.700 0.026 0.000 1.043 330 T CA -0.681 61.412 62.100 -0.012 0.000 1.003 330 T CB 2.506 71.275 68.868 -0.164 0.000 1.084 330 T HN 0.002 nan 8.240 nan 0.000 0.483 331 E N 1.410 121.609 120.200 -0.002 0.000 2.070 331 E HA -0.197 4.158 4.350 0.008 0.000 0.197 331 E C 2.217 178.864 176.600 0.079 0.000 1.004 331 E CA 1.874 58.300 56.400 0.044 0.000 0.805 331 E CB -0.488 29.214 29.700 0.004 0.000 0.744 331 E HN 0.825 nan 8.360 nan 0.000 0.451 332 A N -0.305 122.498 122.820 -0.030 0.000 1.930 332 A HA -0.172 4.153 4.320 0.008 0.000 0.217 332 A C 1.731 179.316 177.584 0.002 0.000 1.175 332 A CA 1.650 53.656 52.037 -0.052 0.000 0.627 332 A CB -0.797 18.122 19.000 -0.136 0.000 0.815 332 A HN 0.422 nan 8.150 nan 0.000 0.443 333 H N -2.658 116.448 119.070 0.059 0.000 2.423 333 H HA -0.059 4.502 4.556 0.009 0.000 0.297 333 H C 1.822 177.184 175.328 0.057 0.000 1.075 333 H CA 1.340 57.419 56.048 0.052 0.000 1.342 333 H CB -0.131 29.671 29.762 0.067 0.000 1.395 333 H HN 0.620 nan 8.280 nan 0.000 0.530 334 F N 1.915 121.909 119.950 0.073 0.000 2.186 334 F HA -0.157 4.374 4.527 0.008 0.000 0.299 334 F C 2.082 177.882 175.800 -0.000 0.000 1.090 334 F CA 0.941 58.938 58.000 -0.004 0.000 1.307 334 F CB 0.204 39.161 39.000 -0.071 0.000 1.019 334 F HN 0.012 nan 8.300 nan 0.000 0.489 335 E N 0.252 120.411 120.200 -0.068 0.000 2.110 335 E HA -0.143 4.212 4.350 0.008 0.000 0.193 335 E C 2.523 179.042 176.600 -0.136 0.000 0.988 335 E CA 1.217 57.545 56.400 -0.120 0.000 0.804 335 E CB -0.740 28.964 29.700 0.007 0.000 0.745 335 E HN 0.362 nan 8.360 nan 0.000 0.458 336 V N 1.395 121.267 119.914 -0.071 0.000 2.358 336 V HA -0.210 3.915 4.120 0.008 0.000 0.246 336 V C 2.425 178.480 176.094 -0.066 0.000 1.047 336 V CA 1.244 63.514 62.300 -0.050 0.000 1.035 336 V CB -0.448 31.369 31.823 -0.010 0.000 0.658 336 V HN 0.167 nan 8.190 nan 0.000 0.452 337 L N 0.638 121.777 121.223 -0.141 0.000 2.046 337 L HA -0.172 4.173 4.340 0.008 0.000 0.208 337 L C 2.426 179.153 176.870 -0.238 0.000 1.077 337 L CA 2.236 56.946 54.840 -0.217 0.000 0.747 337 L CB -0.784 41.054 42.059 -0.368 0.000 0.896 337 L HN 0.267 nan 8.230 nan 0.000 0.432 338 K N -0.828 119.365 120.400 -0.345 0.000 2.057 338 K HA -0.182 4.142 4.320 0.008 0.000 0.207 338 K C 1.855 178.402 176.600 -0.089 0.000 1.049 338 K CA 1.542 57.714 56.287 -0.191 0.000 0.931 338 K CB -0.152 32.185 32.500 -0.272 0.000 0.714 338 K HN 0.434 nan 8.250 nan 0.000 0.440 339 N N 0.250 118.905 118.700 -0.074 0.000 2.188 339 N HA -0.168 4.577 4.740 0.008 0.000 0.184 339 N C 1.450 176.966 175.510 0.011 0.000 1.018 339 N CA 0.963 53.993 53.050 -0.034 0.000 0.858 339 N CB -0.361 38.102 38.487 -0.040 0.000 0.989 339 N HN 0.366 nan 8.380 nan 0.000 0.426 340 W N 2.318 123.491 121.300 -0.213 0.000 2.355 340 W HA -0.009 4.656 4.660 0.008 0.000 0.309 340 W C 1.922 178.345 176.519 -0.159 0.000 1.206 340 W CA 0.791 57.992 57.345 -0.241 0.000 1.284 340 W CB -0.843 28.434 29.460 -0.304 0.000 1.145 340 W HN -0.025 nan 8.180 nan 0.000 0.502 341 L N 0.355 121.520 121.223 -0.097 0.000 2.083 341 L HA -0.193 4.152 4.340 0.008 0.000 0.209 341 L C 2.403 179.384 176.870 0.185 0.000 1.083 341 L CA 1.758 56.558 54.840 -0.065 0.000 0.752 341 L CB -0.771 41.136 42.059 -0.253 0.000 0.899 341 L HN -0.034 nan 8.230 nan 0.000 0.433 342 E N -0.501 119.724 120.200 0.043 0.000 2.208 342 E HA -0.165 4.190 4.350 0.008 0.000 0.193 342 E C 2.255 178.831 176.600 -0.040 0.000 0.988 342 E CA 1.147 57.555 56.400 0.014 0.000 0.828 342 E CB 0.002 29.689 29.700 -0.022 0.000 0.763 342 E HN 0.515 nan 8.360 nan 0.000 0.478 343 S N 0.143 115.763 115.700 -0.132 0.000 2.442 343 S HA -0.181 4.294 4.470 0.008 0.000 0.236 343 S C 1.524 175.894 174.600 -0.383 0.000 1.007 343 S CA 0.779 58.813 58.200 -0.276 0.000 0.965 343 S CB -0.405 62.584 63.200 -0.353 0.000 0.773 343 S HN 0.295 nan 8.310 nan 0.000 0.504 344 Y N 1.592 121.898 120.300 0.010 0.000 2.546 344 Y HA 0.341 4.895 4.550 0.008 0.000 0.287 344 Y C 0.777 176.644 175.900 -0.054 0.000 1.158 344 Y CA -0.329 57.760 58.100 -0.019 0.000 1.307 344 Y CB -0.537 37.938 38.460 0.025 0.000 1.036 344 Y HN 0.185 nan 8.280 nan 0.000 0.532 345 K N -0.282 120.135 120.400 0.028 0.000 3.689 345 K HA -0.185 4.140 4.320 0.008 0.000 0.276 345 K C -2.387 174.185 176.600 -0.046 0.000 0.932 345 K CA 0.312 56.589 56.287 -0.017 0.000 0.758 345 K CB -0.784 31.701 32.500 -0.025 0.000 1.500 345 K HN 0.280 nan 8.250 nan 0.000 0.448 346 P HA -0.239 nan 4.420 nan 0.000 0.222 346 P C 1.126 178.416 177.300 -0.018 0.000 1.147 346 P CA 1.351 64.343 63.100 -0.179 0.000 0.790 346 P CB 0.141 31.481 31.700 -0.599 0.000 0.780 347 E N 1.364 121.540 120.200 -0.039 0.000 2.333 347 E HA -0.193 4.162 4.350 0.008 0.000 0.198 347 E C 1.075 177.668 176.600 -0.012 0.000 1.007 347 E CA 1.148 57.541 56.400 -0.012 0.000 0.845 347 E CB -0.695 28.991 29.700 -0.024 0.000 0.766 347 E HN 0.408 nan 8.360 nan 0.000 0.507 348 E N 0.226 120.405 120.200 -0.035 0.000 2.474 348 E HA 0.160 4.515 4.350 0.008 0.000 0.194 348 E C 1.890 178.434 176.600 -0.093 0.000 1.041 348 E CA 0.006 56.377 56.400 -0.049 0.000 0.874 348 E CB 0.223 29.897 29.700 -0.043 0.000 0.914 348 E HN 0.247 nan 8.360 nan 0.000 0.498 349 L N -0.483 120.651 121.223 -0.148 0.000 2.515 349 L HA 0.224 4.569 4.340 0.008 0.000 0.223 349 L C 0.087 176.626 176.870 -0.551 0.000 1.079 349 L CA 0.172 54.790 54.840 -0.370 0.000 0.857 349 L CB 0.388 42.124 42.059 -0.538 0.000 1.050 349 L HN -0.015 nan 8.230 nan 0.000 0.476 350 F N 0.116 119.997 119.950 -0.116 0.000 2.532 350 F HA 0.300 4.832 4.527 0.008 0.000 0.321 350 F C 0.205 175.958 175.800 -0.077 0.000 1.089 350 F CA -1.667 56.275 58.000 -0.097 0.000 0.926 350 F CB 1.186 40.116 39.000 -0.117 0.000 1.168 350 F HN -0.094 nan 8.300 nan 0.000 0.459 351 D N 1.195 121.665 120.400 0.116 0.000 2.433 351 D HA 0.344 4.989 4.640 0.008 0.000 0.255 351 D C 0.906 177.239 176.300 0.054 0.000 1.226 351 D CA -0.379 53.654 54.000 0.055 0.000 1.015 351 D CB 0.617 41.429 40.800 0.021 0.000 1.091 351 D HN 0.529 nan 8.370 nan 0.000 0.527 352 A N -0.199 122.634 122.820 0.022 0.000 2.066 352 A HA -0.162 4.163 4.320 0.008 0.000 0.218 352 A C 1.853 179.438 177.584 0.003 0.000 1.157 352 A CA 1.399 53.441 52.037 0.008 0.000 0.670 352 A CB -1.018 17.982 19.000 0.001 0.000 0.804 352 A HN 0.634 nan 8.150 nan 0.000 0.453 353 N N -0.689 118.017 118.700 0.009 0.000 2.494 353 N HA 0.118 4.862 4.740 0.008 0.000 0.182 353 N C 1.030 176.545 175.510 0.008 0.000 1.076 353 N CA 1.325 54.378 53.050 0.005 0.000 0.908 353 N CB -0.049 38.441 38.487 0.005 0.000 0.967 353 N HN 0.578 nan 8.380 nan 0.000 0.449 354 G N -1.555 107.264 108.800 0.032 0.000 2.132 354 G HA2 -0.150 3.815 3.960 0.008 0.000 0.234 354 G HA3 -0.150 3.815 3.960 0.008 0.000 0.234 354 G C 0.044 175.044 174.900 0.166 0.000 0.989 354 G CA 0.211 45.328 45.100 0.029 0.000 0.676 354 G HN 0.637 nan 8.290 nan 0.000 0.522 355 A N -0.396 122.517 122.820 0.155 0.000 2.304 355 A HA 0.846 5.171 4.320 0.008 0.000 0.301 355 A C 0.826 178.490 177.584 0.134 0.000 1.132 355 A CA 0.253 52.364 52.037 0.124 0.000 0.819 355 A CB 1.421 20.436 19.000 0.024 0.000 1.094 355 A HN 1.859 nan 8.150 nan 0.000 0.492 356 V N 1.766 121.686 119.914 0.010 0.000 2.715 356 V HA 0.271 4.396 4.120 0.008 0.000 0.299 356 V C 0.302 176.296 176.094 -0.167 0.000 1.054 356 V CA -0.363 61.795 62.300 -0.236 0.000 1.077 356 V CB 0.371 31.958 31.823 -0.393 0.000 0.972 356 V HN 0.846 nan 8.190 nan 0.000 0.484 357 K N 4.210 124.494 120.400 -0.193 0.000 2.295 357 K HA 0.126 4.451 4.320 0.008 0.000 0.270 357 K C 0.677 177.220 176.600 -0.094 0.000 1.011 357 K CA -0.111 56.106 56.287 -0.116 0.000 0.953 357 K CB 0.544 32.980 32.500 -0.106 0.000 0.956 357 K HN 0.783 nan 8.250 nan 0.000 0.477 358 D N 1.947 122.307 120.400 -0.067 0.000 2.133 358 D HA -0.210 4.434 4.640 0.008 0.000 0.195 358 D C 1.341 177.621 176.300 -0.034 0.000 0.997 358 D CA 1.621 55.589 54.000 -0.054 0.000 0.840 358 D CB -0.122 40.651 40.800 -0.045 0.000 0.947 358 D HN 0.664 nan 8.370 nan 0.000 0.452 359 D N 0.346 120.728 120.400 -0.030 0.000 2.350 359 D HA -0.088 4.557 4.640 0.008 0.000 0.216 359 D C 1.857 178.165 176.300 0.013 0.000 0.968 359 D CA 0.285 54.280 54.000 -0.010 0.000 0.894 359 D CB -0.332 40.456 40.800 -0.020 0.000 0.909 359 D HN 0.145 nan 8.370 nan 0.000 0.520 360 V N 0.281 120.191 119.914 -0.007 0.000 2.591 360 V HA -0.059 4.066 4.120 0.008 0.000 0.249 360 V C 2.223 178.432 176.094 0.191 0.000 1.053 360 V CA 0.994 63.310 62.300 0.026 0.000 1.068 360 V CB -0.240 31.532 31.823 -0.086 0.000 0.689 360 V HN 0.222 nan 8.190 nan 0.000 0.462 361 L N -0.515 120.764 121.223 0.092 0.000 2.906 361 L HA 0.398 4.743 4.340 0.008 0.000 0.255 361 L C 2.162 178.981 176.870 -0.084 0.000 1.166 361 L CA 0.457 55.297 54.840 0.000 0.000 0.977 361 L CB -0.170 41.831 42.059 -0.096 0.000 1.313 361 L HN 0.201 nan 8.230 nan 0.000 0.549 362 A N 1.104 123.946 122.820 0.037 0.000 2.019 362 A HA -0.201 4.124 4.320 0.008 0.000 0.219 362 A C 1.972 179.546 177.584 -0.017 0.000 1.164 362 A CA 1.398 53.431 52.037 -0.007 0.000 0.644 362 A CB -0.619 18.393 19.000 0.021 0.000 0.805 362 A HN 0.591 nan 8.150 nan 0.000 0.449 363 F N -1.456 118.441 119.950 -0.088 0.000 2.661 363 F HA 0.282 4.813 4.527 0.008 0.000 0.298 363 F C 0.814 176.542 175.800 -0.121 0.000 1.137 363 F CA -0.401 57.534 58.000 -0.109 0.000 1.454 363 F CB -0.352 38.569 39.000 -0.132 0.000 1.103 363 F HN -0.077 nan 8.300 nan 0.000 0.577 364 M N 2.944 121.961 119.600 -0.970 0.000 2.245 364 M HA 0.189 4.674 4.480 0.008 0.000 0.330 364 M C -1.912 174.137 176.300 -0.419 0.000 1.098 364 M CA -1.621 53.163 55.300 -0.860 0.000 1.172 364 M CB -0.230 31.972 32.600 -0.665 0.000 1.467 364 M HN -0.041 nan 8.290 nan 0.000 0.454 365 P HA 0.309 nan 4.420 nan 0.000 0.279 365 P C -0.860 176.337 177.300 -0.171 0.000 1.282 365 P CA -0.265 62.710 63.100 -0.208 0.000 0.788 365 P CB 0.943 32.540 31.700 -0.172 0.000 1.139 366 K N -0.823 119.499 120.400 -0.129 0.000 2.477 366 K HA 0.565 4.890 4.320 0.008 0.000 0.255 366 K C 0.331 176.881 176.600 -0.083 0.000 0.952 366 K CA -0.182 56.041 56.287 -0.107 0.000 0.826 366 K CB 2.036 34.476 32.500 -0.100 0.000 1.331 366 K HN 0.912 nan 8.250 nan 0.000 0.437 367 G N 1.798 110.555 108.800 -0.072 0.000 2.562 367 G HA2 -0.354 3.611 3.960 0.008 0.000 0.250 367 G HA3 -0.354 3.611 3.960 0.008 0.000 0.250 367 G C 0.562 175.434 174.900 -0.046 0.000 1.269 367 G CA 0.568 45.635 45.100 -0.056 0.000 0.919 367 G HN 0.808 nan 8.290 nan 0.000 0.574 368 E N 0.199 120.378 120.200 -0.035 0.000 2.516 368 E HA 0.185 4.540 4.350 0.008 0.000 0.199 368 E C 2.160 178.747 176.600 -0.020 0.000 1.069 368 E CA 0.866 57.253 56.400 -0.021 0.000 0.876 368 E CB -0.056 29.637 29.700 -0.011 0.000 0.843 368 E HN 0.485 nan 8.360 nan 0.000 0.530 369 L N 0.562 121.762 121.223 -0.039 0.000 2.567 369 L HA 0.167 4.512 4.340 0.008 0.000 0.225 369 L C 0.925 177.770 176.870 -0.041 0.000 1.119 369 L CA -0.274 54.540 54.840 -0.044 0.000 0.871 369 L CB 0.090 42.105 42.059 -0.073 0.000 1.036 369 L HN -0.008 nan 8.230 nan 0.000 0.459 370 R N 0.334 120.808 120.500 -0.042 0.000 2.585 370 R HA 0.001 4.346 4.340 0.008 0.000 0.275 370 R C 1.316 177.623 176.300 0.012 0.000 1.018 370 R CA -0.110 55.970 56.100 -0.034 0.000 1.072 370 R CB 0.706 30.983 30.300 -0.038 0.000 0.953 370 R HN 0.135 nan 8.270 nan 0.000 0.419 371 I N 1.864 122.451 120.570 0.029 0.000 2.145 371 I HA -0.309 3.866 4.170 0.008 0.000 0.244 371 I C 2.197 178.390 176.117 0.126 0.000 1.075 371 I CA 2.008 63.358 61.300 0.084 0.000 1.332 371 I CB -0.339 37.719 38.000 0.097 0.000 1.033 371 I HN 0.878 nan 8.210 nan 0.000 0.410 372 G N -0.537 108.336 108.800 0.120 0.000 2.572 372 G HA2 0.050 4.015 3.960 0.008 0.000 0.216 372 G HA3 0.050 4.015 3.960 0.008 0.000 0.216 372 G C 1.526 176.473 174.900 0.079 0.000 1.133 372 G CA 0.648 45.831 45.100 0.140 0.000 0.791 372 G HN 0.504 nan 8.290 nan 0.000 0.538 373 A N -0.114 122.733 122.820 0.045 0.000 2.252 373 A HA 0.243 4.568 4.320 0.008 0.000 0.213 373 A C 1.148 178.755 177.584 0.040 0.000 1.188 373 A CA -0.332 51.717 52.037 0.021 0.000 0.863 373 A CB -0.133 18.859 19.000 -0.012 0.000 0.893 373 A HN 0.262 nan 8.150 nan 0.000 0.495 374 N N 1.598 120.330 118.700 0.054 0.000 2.447 374 N HA 0.015 4.760 4.740 0.008 0.000 0.263 374 N C -1.547 174.004 175.510 0.067 0.000 1.226 374 N CA -0.976 52.105 53.050 0.052 0.000 0.906 374 N CB 1.196 39.718 38.487 0.058 0.000 1.060 374 N HN 0.109 nan 8.380 nan 0.000 0.468 375 P HA -0.142 nan 4.420 nan 0.000 0.221 375 P C 0.594 177.935 177.300 0.069 0.000 1.145 375 P CA 1.070 64.209 63.100 0.064 0.000 0.795 375 P CB 0.373 32.101 31.700 0.047 0.000 0.775 376 N N 0.380 119.119 118.700 0.065 0.000 2.309 376 N HA -0.075 4.670 4.740 0.008 0.000 0.182 376 N C 1.653 177.209 175.510 0.078 0.000 1.018 376 N CA 1.180 54.267 53.050 0.061 0.000 0.876 376 N CB -0.306 38.218 38.487 0.062 0.000 0.972 376 N HN 0.162 nan 8.380 nan 0.000 0.434 377 A N 0.212 123.094 122.820 0.104 0.000 2.235 377 A HA 0.013 4.338 4.320 0.008 0.000 0.208 377 A C 0.926 178.617 177.584 0.179 0.000 1.172 377 A CA 0.483 52.605 52.037 0.142 0.000 0.786 377 A CB -0.013 19.085 19.000 0.164 0.000 0.804 377 A HN 0.127 nan 8.150 nan 0.000 0.479 378 N N -0.980 117.811 118.700 0.151 0.000 2.636 378 N HA 0.148 4.893 4.740 0.008 0.000 0.287 378 N C 0.976 176.548 175.510 0.104 0.000 1.817 378 N CA 0.479 53.626 53.050 0.161 0.000 0.842 378 N CB -0.101 38.508 38.487 0.203 0.000 1.353 378 N HN 0.054 nan 8.380 nan 0.000 0.500 379 G N -0.429 108.419 108.800 0.079 0.000 2.501 379 G HA2 -0.173 3.792 3.960 0.008 0.000 0.220 379 G HA3 -0.173 3.792 3.960 0.008 0.000 0.220 379 G C 1.370 176.284 174.900 0.023 0.000 1.114 379 G CA 0.811 45.933 45.100 0.036 0.000 0.757 379 G HN 0.436 nan 8.290 nan 0.000 0.559 380 G N 0.867 109.691 108.800 0.039 0.000 2.507 380 G HA2 -0.239 3.726 3.960 0.008 0.000 0.221 380 G HA3 -0.239 3.726 3.960 0.008 0.000 0.221 380 G C 1.894 176.817 174.900 0.039 0.000 1.119 380 G CA 1.838 46.958 45.100 0.033 0.000 0.751 380 G HN 0.896 nan 8.290 nan 0.000 0.574 381 V N -1.538 118.406 119.914 0.050 0.000 2.970 381 V HA 0.146 4.271 4.120 0.008 0.000 0.260 381 V C 2.368 178.487 176.094 0.041 0.000 1.100 381 V CA 1.342 63.672 62.300 0.050 0.000 1.122 381 V CB -0.234 31.624 31.823 0.057 0.000 0.721 381 V HN 0.360 nan 8.190 nan 0.000 0.483 382 I N -0.428 120.162 120.570 0.034 0.000 2.867 382 I HA 0.138 4.313 4.170 0.008 0.000 0.265 382 I C 1.716 177.852 176.117 0.033 0.000 1.162 382 I CA 0.164 61.481 61.300 0.029 0.000 1.471 382 I CB -0.019 37.991 38.000 0.017 0.000 1.123 382 I HN 0.168 nan 8.210 nan 0.000 0.440 383 R N 2.869 123.381 120.500 0.020 0.000 2.522 383 R HA 0.049 4.394 4.340 0.008 0.000 0.284 383 R C -0.879 175.481 176.300 0.099 0.000 1.032 383 R CA 0.474 56.592 56.100 0.031 0.000 1.049 383 R CB 0.286 30.569 30.300 -0.028 0.000 0.956 383 R HN 0.210 nan 8.270 nan 0.000 0.422 384 N N 2.211 121.018 118.700 0.177 0.000 2.453 384 N HA 0.195 4.940 4.740 0.008 0.000 0.290 384 N C -1.331 174.303 175.510 0.206 0.000 1.250 384 N CA -0.684 52.457 53.050 0.151 0.000 0.815 384 N CB 1.061 39.609 38.487 0.101 0.000 1.381 384 N HN 0.511 nan 8.380 nan 0.000 0.510 385 D N 0.848 121.328 120.400 0.132 0.000 2.488 385 D HA 0.040 4.685 4.640 0.008 0.000 0.238 385 D C 0.431 176.720 176.300 -0.017 0.000 1.138 385 D CA -0.024 54.037 54.000 0.100 0.000 0.873 385 D CB 0.565 41.411 40.800 0.076 0.000 1.183 385 D HN 0.157 nan 8.370 nan 0.000 0.458 386 L N 2.003 123.135 121.223 -0.151 0.000 2.483 386 L HA -0.004 4.341 4.340 0.008 0.000 0.275 386 L C 0.718 177.520 176.870 -0.112 0.000 1.220 386 L CA 0.366 55.057 54.840 -0.248 0.000 0.833 386 L CB -0.132 41.734 42.059 -0.322 0.000 1.102 386 L HN 0.215 nan 8.230 nan 0.000 0.490 387 K N 2.660 122.995 120.400 -0.108 0.000 2.292 387 K HA 0.334 4.659 4.320 0.008 0.000 0.290 387 K C -0.650 175.897 176.600 -0.087 0.000 1.083 387 K CA -0.162 56.087 56.287 -0.064 0.000 0.918 387 K CB 0.190 32.660 32.500 -0.049 0.000 1.089 387 K HN 0.187 nan 8.250 nan 0.000 0.473 388 L N 5.434 126.634 121.223 -0.039 0.000 2.325 388 L HA 0.492 4.837 4.340 0.008 0.000 0.279 388 L C -1.891 175.015 176.870 0.059 0.000 1.054 388 L CA -2.635 52.190 54.840 -0.025 0.000 0.804 388 L CB 0.522 42.622 42.059 0.068 0.000 1.200 388 L HN 0.519 nan 8.230 nan 0.000 0.436 389 P HA 0.168 nan 4.420 nan 0.000 0.274 389 P C -0.784 176.702 177.300 0.310 0.000 1.246 389 P CA -0.651 62.582 63.100 0.222 0.000 0.795 389 P CB 0.406 32.321 31.700 0.358 0.000 1.006 390 N N 1.212 120.049 118.700 0.227 0.000 2.429 390 N HA -0.027 4.718 4.740 0.008 0.000 0.271 390 N C 1.203 176.847 175.510 0.222 0.000 1.272 390 N CA -0.109 53.038 53.050 0.162 0.000 0.921 390 N CB -0.071 38.451 38.487 0.058 0.000 1.128 390 N HN 0.354 nan 8.380 nan 0.000 0.481 391 L N 3.269 124.600 121.223 0.180 0.000 2.089 391 L HA -0.230 4.115 4.340 0.008 0.000 0.213 391 L C 1.666 178.578 176.870 0.071 0.000 1.079 391 L CA 1.845 56.742 54.840 0.094 0.000 0.758 391 L CB -0.234 41.808 42.059 -0.027 0.000 0.891 391 L HN 0.600 nan 8.230 nan 0.000 0.433 392 E N -0.955 119.252 120.200 0.011 0.000 2.204 392 E HA -0.216 4.139 4.350 0.008 0.000 0.195 392 E C 1.498 178.027 176.600 -0.118 0.000 0.990 392 E CA 0.963 57.336 56.400 -0.045 0.000 0.821 392 E CB -0.138 29.534 29.700 -0.046 0.000 0.750 392 E HN 0.536 nan 8.360 nan 0.000 0.477 393 D N -0.438 119.837 120.400 -0.209 0.000 2.354 393 D HA -0.149 4.496 4.640 0.008 0.000 0.216 393 D C 0.581 176.453 176.300 -0.713 0.000 0.970 393 D CA 1.122 54.823 54.000 -0.499 0.000 0.905 393 D CB 0.039 40.413 40.800 -0.711 0.000 0.903 393 D HN 0.393 nan 8.370 nan 0.000 0.508 394 Y N -0.183 120.087 120.300 -0.050 0.000 2.527 394 Y HA 0.203 4.758 4.550 0.009 0.000 0.247 394 Y C 0.785 176.645 175.900 -0.067 0.000 1.138 394 Y CA -0.621 57.449 58.100 -0.050 0.000 1.228 394 Y CB 0.167 38.589 38.460 -0.063 0.000 1.252 394 Y HN -0.181 nan 8.280 nan 0.000 0.531 395 E N 1.389 121.591 120.200 0.003 0.000 2.413 395 E HA 0.119 4.474 4.350 0.008 0.000 0.263 395 E C -0.537 176.042 176.600 -0.035 0.000 1.015 395 E CA -0.121 56.264 56.400 -0.023 0.000 0.916 395 E CB 0.827 30.494 29.700 -0.056 0.000 0.947 395 E HN -0.077 nan 8.360 nan 0.000 0.440 396 V N 6.775 126.672 119.914 -0.028 0.000 2.370 396 V HA 0.015 4.140 4.120 0.008 0.000 0.257 396 V C 1.048 177.066 176.094 -0.127 0.000 1.064 396 V CA -0.011 62.262 62.300 -0.045 0.000 0.975 396 V CB 0.674 32.512 31.823 0.026 0.000 1.067 396 V HN 0.673 nan 8.190 nan 0.000 0.485 397 K N 3.038 123.333 120.400 -0.175 0.000 2.365 397 K HA -0.026 4.299 4.320 0.008 0.000 0.197 397 K C 1.457 177.880 176.600 -0.295 0.000 1.042 397 K CA 0.429 56.594 56.287 -0.204 0.000 0.987 397 K CB 0.423 32.813 32.500 -0.184 0.000 0.779 397 K HN 0.575 nan 8.250 nan 0.000 0.484 398 E N 0.912 120.842 120.200 -0.451 0.000 2.338 398 E HA -0.086 4.269 4.350 0.008 0.000 0.197 398 E C 1.847 178.153 176.600 -0.490 0.000 1.007 398 E CA 0.338 56.331 56.400 -0.678 0.000 0.849 398 E CB -0.210 28.376 29.700 -1.856 0.000 0.774 398 E HN -0.056 nan 8.360 nan 0.000 0.506 399 V N 0.729 120.451 119.914 -0.320 0.000 2.295 399 V HA -0.271 3.854 4.120 0.008 0.000 0.246 399 V C 2.194 178.081 176.094 -0.345 0.000 1.049 399 V CA 1.830 63.971 62.300 -0.264 0.000 1.024 399 V CB -0.730 30.943 31.823 -0.250 0.000 0.648 399 V HN 0.377 nan 8.190 nan 0.000 0.447 400 A N -0.732 121.899 122.820 -0.315 0.000 2.019 400 A HA -0.220 4.105 4.320 0.008 0.000 0.219 400 A C 2.128 179.528 177.584 -0.307 0.000 1.164 400 A CA 1.875 53.732 52.037 -0.299 0.000 0.644 400 A CB -0.326 18.533 19.000 -0.236 0.000 0.805 400 A HN 0.678 nan 8.150 nan 0.000 0.449 401 E N -2.733 117.259 120.200 -0.347 0.000 2.251 401 E HA 0.033 4.388 4.350 0.008 0.000 0.194 401 E C 0.758 176.990 176.600 -0.613 0.000 0.964 401 E CA 0.628 56.740 56.400 -0.479 0.000 0.868 401 E CB 0.091 29.445 29.700 -0.577 0.000 0.828 401 E HN 0.791 nan 8.360 nan 0.000 0.481 402 Y N -0.368 119.740 120.300 -0.320 0.000 2.426 402 Y HA 0.336 4.891 4.550 0.008 0.000 0.249 402 Y C 0.667 176.484 175.900 -0.139 0.000 1.103 402 Y CA 0.336 58.306 58.100 -0.217 0.000 1.256 402 Y CB 2.039 40.342 38.460 -0.262 0.000 1.208 402 Y HN 0.012 nan 8.280 nan 0.000 0.519 403 G N 0.027 108.773 108.800 -0.091 0.000 2.576 403 G HA2 -0.131 3.834 3.960 0.008 0.000 0.686 403 G HA3 -0.131 3.834 3.960 0.008 0.000 0.686 403 G C -1.224 173.573 174.900 -0.170 0.000 1.242 403 G CA -1.192 43.822 45.100 -0.143 0.000 0.819 403 G HN 0.146 nan 8.290 nan 0.000 0.655 404 H N 0.229 119.203 119.070 -0.160 0.000 3.140 404 H HA 0.306 4.866 4.556 0.008 0.000 0.316 404 H C 1.677 177.016 175.328 0.018 0.000 0.986 404 H CA 2.346 58.260 56.048 -0.223 0.000 1.397 404 H CB 0.751 30.182 29.762 -0.550 0.000 1.377 404 H HN 2.219 nan 8.280 nan 0.000 0.585 405 G N 2.884 111.577 108.800 -0.178 0.000 2.159 405 G HA2 -0.245 3.720 3.960 0.008 0.000 0.227 405 G HA3 -0.245 3.720 3.960 0.008 0.000 0.227 405 G C 0.123 174.754 174.900 -0.447 0.000 0.986 405 G CA 0.032 44.740 45.100 -0.653 0.000 0.651 405 G HN 0.707 nan 8.290 nan 0.000 0.523 406 W N 1.344 122.416 121.300 -0.380 0.000 2.181 406 W HA 0.467 5.132 4.660 0.008 0.000 0.335 406 W C 0.940 177.259 176.519 -0.332 0.000 1.310 406 W CA 1.945 59.109 57.345 -0.302 0.000 1.226 406 W CB 0.474 29.803 29.460 -0.219 0.000 1.155 406 W HN 1.625 nan 8.180 nan 0.000 0.565 407 G N 3.946 111.739 108.800 -1.677 0.000 2.760 407 G HA2 -0.187 3.778 3.960 0.008 0.000 0.246 407 G HA3 -0.187 3.778 3.960 0.008 0.000 0.246 407 G C -0.337 174.004 174.900 -0.931 0.000 1.359 407 G CA -0.111 43.810 45.100 -1.964 0.000 0.861 407 G HN 0.663 nan 8.290 nan 0.000 0.541 408 Q N -0.510 118.841 119.800 -0.748 0.000 2.074 408 Q HA 0.279 4.624 4.340 0.008 0.000 0.265 408 Q C 0.795 176.646 176.000 -0.249 0.000 0.855 408 Q CA -0.181 55.393 55.803 -0.382 0.000 1.083 408 Q CB 0.633 29.193 28.738 -0.296 0.000 1.260 408 Q HN 0.574 nan 8.270 nan 0.000 0.427 409 L N 1.250 122.328 121.223 -0.242 0.000 2.483 409 L HA 0.077 4.422 4.340 0.008 0.000 0.276 409 L C 0.563 177.410 176.870 -0.038 0.000 1.213 409 L CA 0.601 55.392 54.840 -0.082 0.000 0.843 409 L CB 0.371 42.433 42.059 0.006 0.000 1.107 409 L HN 0.038 nan 8.230 nan 0.000 0.487 410 E N 1.359 121.557 120.200 -0.003 0.000 2.046 410 E HA 0.214 4.568 4.350 0.008 0.000 0.279 410 E C 0.490 177.111 176.600 0.036 0.000 0.989 410 E CA -0.276 56.134 56.400 0.016 0.000 0.798 410 E CB 1.572 31.281 29.700 0.016 0.000 1.086 410 E HN 0.720 nan 8.360 nan 0.000 0.399 411 A N 2.972 125.822 122.820 0.050 0.000 1.940 411 A HA -0.198 4.127 4.320 0.008 0.000 0.219 411 A C 2.199 179.820 177.584 0.061 0.000 1.176 411 A CA 2.092 54.167 52.037 0.063 0.000 0.631 411 A CB -0.693 18.359 19.000 0.087 0.000 0.814 411 A HN 0.669 nan 8.150 nan 0.000 0.446 412 T N -2.669 111.919 114.554 0.057 0.000 3.035 412 T HA -0.034 4.321 4.350 0.008 0.000 0.268 412 T C 1.765 176.494 174.700 0.048 0.000 1.109 412 T CA 0.861 62.994 62.100 0.055 0.000 1.119 412 T CB -0.328 68.572 68.868 0.054 0.000 0.900 412 T HN 0.531 nan 8.240 nan 0.000 0.503 413 R N 0.811 121.336 120.500 0.042 0.000 2.127 413 R HA -0.056 4.289 4.340 0.008 0.000 0.238 413 R C 2.559 178.890 176.300 0.052 0.000 1.134 413 R CA 1.762 57.884 56.100 0.036 0.000 0.975 413 R CB -0.755 29.566 30.300 0.035 0.000 0.865 413 R HN 0.402 nan 8.270 nan 0.000 0.447 414 T N 1.415 116.007 114.554 0.064 0.000 2.777 414 T HA -0.094 4.261 4.350 0.008 0.000 0.266 414 T C 1.655 176.399 174.700 0.073 0.000 1.040 414 T CA 0.840 62.989 62.100 0.080 0.000 1.141 414 T CB -0.135 68.777 68.868 0.074 0.000 0.868 414 T HN 0.088 nan 8.240 nan 0.000 0.444 415 L N 1.528 122.795 121.223 0.074 0.000 2.131 415 L HA 0.109 4.454 4.340 0.008 0.000 0.210 415 L C 2.409 179.335 176.870 0.094 0.000 1.092 415 L CA 1.771 56.681 54.840 0.115 0.000 0.759 415 L CB -1.153 40.970 42.059 0.106 0.000 0.903 415 L HN 0.261 nan 8.230 nan 0.000 0.435 416 G N -0.811 108.020 108.800 0.050 0.000 2.480 416 G HA2 -0.313 3.652 3.960 0.008 0.000 0.216 416 G HA3 -0.313 3.652 3.960 0.008 0.000 0.216 416 G C 1.614 176.504 174.900 -0.017 0.000 1.200 416 G CA 0.990 46.094 45.100 0.006 0.000 0.782 416 G HN 0.627 nan 8.290 nan 0.000 0.554 417 A N -0.201 122.629 122.820 0.018 0.000 1.908 417 A HA -0.077 4.248 4.320 0.008 0.000 0.218 417 A C 2.225 179.747 177.584 -0.102 0.000 1.181 417 A CA 1.771 53.837 52.037 0.047 0.000 0.627 417 A CB -0.771 18.348 19.000 0.198 0.000 0.818 417 A HN 0.555 nan 8.150 nan 0.000 0.445 418 Y N 0.893 120.912 120.300 -0.469 0.000 2.145 418 Y HA -0.221 4.333 4.550 0.008 0.000 0.286 418 Y C 2.715 178.350 175.900 -0.440 0.000 1.145 418 Y CA 2.049 59.644 58.100 -0.842 0.000 1.148 418 Y CB -0.275 37.825 38.460 -0.600 0.000 0.981 418 Y HN 0.344 nan 8.280 nan 0.000 0.507 419 T N 1.002 115.387 114.554 -0.282 0.000 2.788 419 T HA -0.230 4.125 4.350 0.008 0.000 0.268 419 T C 1.868 176.315 174.700 -0.423 0.000 1.044 419 T CA 1.550 63.400 62.100 -0.418 0.000 1.139 419 T CB -0.371 68.432 68.868 -0.107 0.000 0.867 419 T HN 0.369 nan 8.240 nan 0.000 0.454 420 R N 1.112 121.470 120.500 -0.237 0.000 2.091 420 R HA -0.165 4.180 4.340 0.008 0.000 0.238 420 R C 1.570 177.754 176.300 -0.193 0.000 1.136 420 R CA 1.986 57.986 56.100 -0.167 0.000 0.959 420 R CB -0.283 29.968 30.300 -0.082 0.000 0.856 420 R HN 0.277 nan 8.270 nan 0.000 0.437 421 D N 0.334 120.612 120.400 -0.204 0.000 2.194 421 D HA -0.047 4.598 4.640 0.008 0.000 0.204 421 D C 1.993 178.129 176.300 -0.274 0.000 0.964 421 D CA 0.859 54.774 54.000 -0.142 0.000 0.846 421 D CB -0.073 40.751 40.800 0.039 0.000 0.962 421 D HN 0.337 nan 8.370 nan 0.000 0.490 422 I N 0.824 121.081 120.570 -0.521 0.000 2.151 422 I HA -0.279 3.896 4.170 0.008 0.000 0.243 422 I C 2.389 178.176 176.117 -0.550 0.000 1.080 422 I CA 1.006 61.894 61.300 -0.686 0.000 1.339 422 I CB -0.255 37.025 38.000 -1.200 0.000 1.039 422 I HN -0.037 nan 8.210 nan 0.000 0.409 423 I N 0.585 120.849 120.570 -0.509 0.000 2.179 423 I HA -0.314 3.861 4.170 0.008 0.000 0.242 423 I C 2.701 178.738 176.117 -0.135 0.000 1.088 423 I CA 1.414 62.559 61.300 -0.259 0.000 1.357 423 I CB -0.375 37.543 38.000 -0.136 0.000 1.051 423 I HN 0.205 nan 8.210 nan 0.000 0.409 424 K N 0.846 121.169 120.400 -0.128 0.000 2.063 424 K HA -0.224 4.100 4.320 0.008 0.000 0.208 424 K C 1.716 178.277 176.600 -0.066 0.000 1.048 424 K CA 1.761 58.006 56.287 -0.070 0.000 0.928 424 K CB -0.035 32.434 32.500 -0.050 0.000 0.713 424 K HN 0.267 nan 8.250 nan 0.000 0.442 425 N N 0.769 119.408 118.700 -0.101 0.000 2.409 425 N HA -0.039 4.706 4.740 0.008 0.000 0.179 425 N C -0.210 175.257 175.510 -0.073 0.000 1.032 425 N CA 0.663 53.665 53.050 -0.080 0.000 0.898 425 N CB 0.234 38.661 38.487 -0.100 0.000 0.971 425 N HN 0.210 nan 8.380 nan 0.000 0.441 426 N N 0.831 119.479 118.700 -0.087 0.000 2.723 426 N HA 0.181 4.926 4.740 0.008 0.000 0.290 426 N C -2.844 172.678 175.510 0.020 0.000 1.882 426 N CA -0.790 52.234 53.050 -0.044 0.000 0.851 426 N CB 2.039 40.475 38.487 -0.086 0.000 1.234 426 N HN 0.129 nan 8.380 nan 0.000 0.491 427 P HA 0.122 nan 4.420 nan 0.000 0.268 427 P C 0.437 177.792 177.300 0.091 0.000 1.205 427 P CA 0.166 63.297 63.100 0.051 0.000 0.771 427 P CB 0.847 32.567 31.700 0.034 0.000 0.858 428 R N 0.711 121.286 120.500 0.125 0.000 3.922 428 R HA -0.140 4.205 4.340 0.008 0.000 0.447 428 R C 0.140 176.570 176.300 0.217 0.000 1.035 428 R CA 1.026 57.222 56.100 0.161 0.000 1.289 428 R CB -2.422 27.950 30.300 0.120 0.000 1.906 428 R HN 0.545 nan 8.270 nan 0.000 0.540 429 D N -1.231 119.310 120.400 0.234 0.000 2.514 429 D HA 0.228 4.872 4.640 0.008 0.000 0.225 429 D C -0.536 176.003 176.300 0.398 0.000 1.159 429 D CA 0.060 54.212 54.000 0.253 0.000 0.823 429 D CB 0.537 41.446 40.800 0.181 0.000 1.097 429 D HN 0.033 nan 8.370 nan 0.000 0.519 430 F N 1.249 121.342 119.950 0.237 0.000 2.561 430 F HA 0.459 4.992 4.527 0.009 0.000 0.313 430 F C -0.771 175.102 175.800 0.122 0.000 1.126 430 F CA -0.701 57.425 58.000 0.211 0.000 0.918 430 F CB 1.504 40.496 39.000 -0.013 0.000 1.199 430 F HN -0.455 nan 8.300 nan 0.000 0.444 431 R N 5.532 125.940 120.500 -0.154 0.000 2.854 431 R HA 0.704 5.049 4.340 0.008 0.000 0.271 431 R C -1.473 174.602 176.300 -0.375 0.000 0.994 431 R CA -1.071 54.814 56.100 -0.358 0.000 0.945 431 R CB 2.671 32.413 30.300 -0.930 0.000 1.194 431 R HN 0.621 nan 8.270 nan 0.000 0.476 432 I N 1.718 122.084 120.570 -0.340 0.000 2.530 432 I HA 0.455 4.630 4.170 0.008 0.000 0.297 432 I C -1.011 174.882 176.117 -0.373 0.000 1.011 432 I CA -0.609 60.617 61.300 -0.123 0.000 1.107 432 I CB 1.388 39.437 38.000 0.082 0.000 1.285 432 I HN 0.342 nan 8.210 nan 0.000 0.436 433 F N 2.127 122.190 119.950 0.189 0.000 2.577 433 F HA 0.814 5.347 4.527 0.009 0.000 0.318 433 F C 0.394 176.362 175.800 0.279 0.000 1.065 433 F CA -0.758 57.354 58.000 0.186 0.000 0.929 433 F CB 2.412 41.472 39.000 0.100 0.000 1.237 433 F HN 0.379 nan 8.300 nan 0.000 0.468 434 G N 1.621 110.678 108.800 0.429 0.000 2.728 434 G HA2 0.465 4.430 3.960 0.008 0.000 0.294 434 G HA3 0.465 4.430 3.960 0.008 0.000 0.294 434 G C -3.220 171.833 174.900 0.255 0.000 1.398 434 G CA -1.349 43.961 45.100 0.349 0.000 1.183 434 G HN 0.240 nan 8.290 nan 0.000 0.578 435 P HA 0.248 nan 4.420 nan 0.000 0.226 435 P C -0.039 177.295 177.300 0.057 0.000 1.783 435 P CA 0.065 63.236 63.100 0.120 0.000 0.980 435 P CB 0.377 32.148 31.700 0.119 0.000 1.967 436 D N 0.659 121.108 120.400 0.081 0.000 3.017 436 D HA -0.154 4.491 4.640 0.008 0.000 0.220 436 D C 0.065 176.390 176.300 0.041 0.000 1.141 436 D CA 1.242 55.275 54.000 0.056 0.000 0.848 436 D CB -1.569 39.249 40.800 0.030 0.000 1.102 436 D HN 0.419 nan 8.370 nan 0.000 0.427 437 E N -1.941 118.291 120.200 0.053 0.000 2.676 437 E HA 0.152 4.507 4.350 0.008 0.000 0.225 437 E C 1.392 178.061 176.600 0.115 0.000 0.944 437 E CA 0.407 56.832 56.400 0.042 0.000 1.156 437 E CB 0.415 30.037 29.700 -0.131 0.000 1.117 437 E HN 0.214 nan 8.360 nan 0.000 0.523 438 T N 0.984 115.620 114.554 0.137 0.000 2.684 438 T HA -0.212 4.143 4.350 0.008 0.000 0.267 438 T C 2.020 176.766 174.700 0.078 0.000 1.036 438 T CA 1.603 63.779 62.100 0.127 0.000 1.148 438 T CB -0.086 68.885 68.868 0.172 0.000 0.863 438 T HN 0.265 nan 8.240 nan 0.000 0.436 439 A N 0.636 123.520 122.820 0.106 0.000 1.970 439 A HA 0.036 4.361 4.320 0.008 0.000 0.216 439 A C 2.519 180.155 177.584 0.087 0.000 1.170 439 A CA 1.691 53.764 52.037 0.061 0.000 0.645 439 A CB -0.797 18.274 19.000 0.119 0.000 0.816 439 A HN 0.440 nan 8.150 nan 0.000 0.447 440 S N 0.514 116.296 115.700 0.138 0.000 2.383 440 S HA -0.138 4.337 4.470 0.008 0.000 0.227 440 S C 1.506 176.217 174.600 0.185 0.000 1.026 440 S CA 1.430 59.744 58.200 0.190 0.000 0.981 440 S CB -0.497 62.885 63.200 0.303 0.000 0.818 440 S HN 0.609 nan 8.310 nan 0.000 0.472 441 N N 1.314 120.119 118.700 0.175 0.000 2.461 441 N HA 0.126 4.871 4.740 0.008 0.000 0.188 441 N C -0.181 175.373 175.510 0.072 0.000 1.134 441 N CA 0.230 53.360 53.050 0.133 0.000 0.878 441 N CB -0.144 38.425 38.487 0.137 0.000 0.972 441 N HN 0.462 nan 8.380 nan 0.000 0.456 442 R N -0.377 120.153 120.500 0.050 0.000 3.527 442 R HA -0.133 4.212 4.340 0.008 0.000 0.288 442 R C -0.005 176.283 176.300 -0.020 0.000 1.146 442 R CA 0.269 56.376 56.100 0.012 0.000 0.778 442 R CB -2.298 28.017 30.300 0.024 0.000 1.289 442 R HN 0.219 nan 8.270 nan 0.000 0.454 443 L N 1.276 122.473 121.223 -0.043 0.000 2.653 443 L HA -0.000 4.345 4.340 0.008 0.000 0.231 443 L C 2.379 179.111 176.870 -0.231 0.000 1.153 443 L CA 0.036 54.833 54.840 -0.073 0.000 0.933 443 L CB -0.044 42.011 42.059 -0.005 0.000 1.175 443 L HN 0.267 nan 8.230 nan 0.000 0.473 444 Q N 0.824 120.418 119.800 -0.343 0.000 2.500 444 Q HA -0.113 4.232 4.340 0.008 0.000 0.213 444 Q C 1.726 177.362 176.000 -0.607 0.000 0.974 444 Q CA 1.341 56.681 55.803 -0.771 0.000 0.918 444 Q CB -0.230 28.126 28.738 -0.636 0.000 0.980 444 Q HN 0.387 nan 8.270 nan 0.000 0.505 445 A N 0.981 123.626 122.820 -0.292 0.000 2.070 445 A HA -0.096 4.229 4.320 0.008 0.000 0.220 445 A C 2.285 179.770 177.584 -0.165 0.000 1.159 445 A CA 1.326 53.257 52.037 -0.177 0.000 0.656 445 A CB -0.555 18.401 19.000 -0.073 0.000 0.800 445 A HN 0.424 nan 8.150 nan 0.000 0.453 446 S N -0.940 114.638 115.700 -0.204 0.000 2.440 446 S HA -0.131 4.344 4.470 0.008 0.000 0.238 446 S C 1.426 176.040 174.600 0.025 0.000 1.010 446 S CA 1.016 59.158 58.200 -0.096 0.000 0.972 446 S CB -0.514 62.653 63.200 -0.055 0.000 0.774 446 S HN 0.715 nan 8.310 nan 0.000 0.501 447 Y N 1.853 122.077 120.300 -0.128 0.000 2.574 447 Y HA 0.013 4.568 4.550 0.007 0.000 0.294 447 Y C 1.959 177.789 175.900 -0.116 0.000 1.142 447 Y CA -0.252 57.733 58.100 -0.192 0.000 1.314 447 Y CB -1.031 37.086 38.460 -0.573 0.000 0.991 447 Y HN 0.425 nan 8.280 nan 0.000 0.555 448 E N -0.359 119.864 120.200 0.039 0.000 2.347 448 E HA -0.070 4.285 4.350 0.008 0.000 0.196 448 E C 1.710 178.335 176.600 0.042 0.000 1.008 448 E CA 1.368 57.793 56.400 0.041 0.000 0.852 448 E CB 0.051 29.762 29.700 0.017 0.000 0.783 448 E HN 0.429 nan 8.360 nan 0.000 0.505 449 V N -4.102 115.835 119.914 0.038 0.000 3.451 449 V HA 0.296 4.421 4.120 0.008 0.000 0.288 449 V C 0.374 176.484 176.094 0.026 0.000 1.502 449 V CA 0.211 62.524 62.300 0.021 0.000 1.026 449 V CB 1.117 32.939 31.823 -0.002 0.000 0.840 449 V HN 0.049 nan 8.190 nan 0.000 0.437 450 T N -0.082 114.507 114.554 0.058 0.000 2.637 450 T HA 0.497 4.852 4.350 0.008 0.000 0.303 450 T C -1.764 172.985 174.700 0.081 0.000 1.288 450 T CA -0.423 61.708 62.100 0.053 0.000 1.040 450 T CB 1.927 70.828 68.868 0.055 0.000 1.644 450 T HN 0.410 nan 8.240 nan 0.000 0.480 451 N N 0.470 119.209 118.700 0.064 0.000 2.571 451 N HA 0.413 5.158 4.740 0.008 0.000 0.273 451 N C -1.526 173.996 175.510 0.020 0.000 1.340 451 N CA -0.746 52.319 53.050 0.025 0.000 0.789 451 N CB 1.892 40.425 38.487 0.077 0.000 1.514 451 N HN 0.488 nan 8.380 nan 0.000 0.499 452 K N 1.121 121.484 120.400 -0.061 0.000 2.322 452 K HA 0.078 4.403 4.320 0.008 0.000 0.283 452 K C 0.069 176.738 176.600 0.115 0.000 1.042 452 K CA -0.139 56.156 56.287 0.012 0.000 0.958 452 K CB 0.952 33.420 32.500 -0.053 0.000 0.984 452 K HN 0.386 nan 8.250 nan 0.000 0.473 453 Q N 3.548 123.426 119.800 0.129 0.000 2.286 453 Q HA 0.042 4.387 4.340 0.008 0.000 0.267 453 Q C -1.497 174.664 176.000 0.268 0.000 1.028 453 Q CA -0.100 55.800 55.803 0.163 0.000 0.901 453 Q CB 0.667 29.453 28.738 0.080 0.000 1.183 453 Q HN 0.629 nan 8.270 nan 0.000 0.392 454 W N 5.140 126.464 121.300 0.041 0.000 2.968 454 W HA 0.269 4.932 4.660 0.006 0.000 0.337 454 W C -1.652 174.896 176.519 0.049 0.000 1.060 454 W CA -0.578 56.765 57.345 -0.004 0.000 1.240 454 W CB 1.638 31.035 29.460 -0.105 0.000 1.370 454 W HN 0.743 nan 8.180 nan 0.000 0.459 455 D N 3.915 124.032 120.400 -0.473 0.000 2.720 455 D HA 0.353 4.998 4.640 0.008 0.000 0.285 455 D C 0.567 176.523 176.300 -0.572 0.000 1.359 455 D CA 0.170 53.961 54.000 -0.348 0.000 0.818 455 D CB 1.026 41.701 40.800 -0.209 0.000 1.108 455 D HN 0.302 nan 8.370 nan 0.000 0.474 456 A N -0.309 121.862 122.820 -1.083 0.000 2.637 456 A HA 0.835 5.160 4.320 0.008 0.000 0.258 456 A C 0.875 178.292 177.584 -0.278 0.000 1.250 456 A CA -0.467 51.140 52.037 -0.716 0.000 0.931 456 A CB 0.087 18.529 19.000 -0.932 0.000 1.488 456 A HN 0.156 nan 8.150 nan 0.000 0.464 457 G N -1.802 106.983 108.800 -0.025 0.000 2.594 457 G HA2 0.456 4.421 3.960 0.008 0.000 0.243 457 G HA3 0.456 4.421 3.960 0.008 0.000 0.243 457 G C -0.965 174.054 174.900 0.199 0.000 1.229 457 G CA 0.152 45.334 45.100 0.137 0.000 0.843 457 G HN 0.406 nan 8.290 nan 0.000 0.578 458 Y N -0.538 119.849 120.300 0.145 0.000 2.487 458 Y HA 0.475 5.031 4.550 0.010 0.000 0.337 458 Y C 1.191 177.125 175.900 0.056 0.000 1.076 458 Y CA -0.750 57.417 58.100 0.111 0.000 1.115 458 Y CB 2.079 40.577 38.460 0.062 0.000 1.235 458 Y HN 0.457 nan 8.280 nan 0.000 0.468 459 I N -2.570 118.088 120.570 0.147 0.000 4.916 459 I HA 0.468 4.643 4.170 0.008 0.000 0.335 459 I C -0.129 176.027 176.117 0.065 0.000 1.274 459 I CA 0.002 61.355 61.300 0.089 0.000 1.365 459 I CB 1.267 39.296 38.000 0.048 0.000 1.395 459 I HN 0.341 nan 8.210 nan 0.000 0.485 460 S N 1.772 117.508 115.700 0.060 0.000 2.606 460 S HA 0.165 4.640 4.470 0.008 0.000 0.290 460 S C -0.706 173.906 174.600 0.019 0.000 1.103 460 S CA -0.031 58.188 58.200 0.032 0.000 0.870 460 S CB 1.178 64.386 63.200 0.013 0.000 1.077 460 S HN 0.424 nan 8.310 nan 0.000 0.448 461 D N 2.494 122.901 120.400 0.011 0.000 2.371 461 D HA -0.015 4.630 4.640 0.008 0.000 0.221 461 D C 0.961 177.246 176.300 -0.025 0.000 0.986 461 D CA 0.669 54.665 54.000 -0.007 0.000 0.899 461 D CB -0.049 40.744 40.800 -0.011 0.000 0.902 461 D HN 0.724 nan 8.370 nan 0.000 0.530 462 E N -0.373 119.816 120.200 -0.019 0.000 2.358 462 E HA -0.036 4.319 4.350 0.008 0.000 0.195 462 E C 1.693 178.272 176.600 -0.036 0.000 1.010 462 E CA 0.943 57.329 56.400 -0.024 0.000 0.856 462 E CB 0.423 30.115 29.700 -0.014 0.000 0.795 462 E HN 0.453 nan 8.360 nan 0.000 0.504 463 V N -3.370 116.516 119.914 -0.046 0.000 3.480 463 V HA 0.136 4.261 4.120 0.008 0.000 0.263 463 V C 0.636 176.665 176.094 -0.108 0.000 1.442 463 V CA -0.040 62.218 62.300 -0.069 0.000 1.053 463 V CB 0.510 32.291 31.823 -0.069 0.000 0.846 463 V HN -0.117 nan 8.190 nan 0.000 0.440 464 D N 1.948 122.291 120.400 -0.095 0.000 2.413 464 D HA 0.198 4.843 4.640 0.008 0.000 0.237 464 D C 0.251 176.487 176.300 -0.107 0.000 1.171 464 D CA 0.135 54.062 54.000 -0.121 0.000 0.839 464 D CB 0.043 40.838 40.800 -0.008 0.000 0.950 464 D HN 0.659 nan 8.370 nan 0.000 0.499 465 E N 0.504 120.613 120.200 -0.152 0.000 2.452 465 E HA -0.064 4.291 4.350 0.008 0.000 0.261 465 E C 0.393 176.853 176.600 -0.232 0.000 0.987 465 E CA 0.336 56.571 56.400 -0.274 0.000 0.926 465 E CB 0.192 29.679 29.700 -0.354 0.000 0.934 465 E HN 0.204 nan 8.360 nan 0.000 0.452 466 H N 0.068 119.070 119.070 -0.115 0.000 2.936 466 H HA -0.191 4.370 4.556 0.008 0.000 0.276 466 H C -0.544 174.646 175.328 -0.230 0.000 1.216 466 H CA 0.910 56.822 56.048 -0.226 0.000 1.132 466 H CB -1.637 27.822 29.762 -0.505 0.000 1.303 466 H HN 0.508 nan 8.280 nan 0.000 0.370 467 M N -0.121 119.489 119.600 0.018 0.000 2.528 467 M HA 0.527 5.012 4.480 0.008 0.000 0.321 467 M C 0.058 176.556 176.300 0.331 0.000 1.153 467 M CA -0.459 54.914 55.300 0.122 0.000 0.951 467 M CB 2.972 35.594 32.600 0.037 0.000 1.705 467 M HN 0.275 nan 8.290 nan 0.000 0.451 468 H N -0.406 118.804 119.070 0.234 0.000 3.014 468 H HA 0.351 4.912 4.556 0.008 0.000 0.337 468 H C 0.029 175.483 175.328 0.210 0.000 1.320 468 H CA -0.647 55.496 56.048 0.159 0.000 1.128 468 H CB 1.386 31.183 29.762 0.059 0.000 1.862 468 H HN 0.372 nan 8.280 nan 0.000 0.536 469 V N -0.663 119.085 119.914 -0.277 0.000 3.041 469 V HA 0.290 4.415 4.120 0.008 0.000 0.260 469 V C 0.242 176.326 176.094 -0.017 0.000 1.105 469 V CA 1.282 63.523 62.300 -0.098 0.000 1.125 469 V CB -0.235 31.445 31.823 -0.239 0.000 0.730 469 V HN 0.379 nan 8.190 nan 0.000 0.479 470 S N -0.350 115.392 115.700 0.070 0.000 2.538 470 S HA 0.869 5.344 4.470 0.008 0.000 0.288 470 S C -0.029 174.701 174.600 0.218 0.000 1.108 470 S CA 0.045 58.335 58.200 0.149 0.000 0.971 470 S CB 1.708 65.004 63.200 0.161 0.000 1.041 470 S HN 1.001 nan 8.310 nan 0.000 0.483 471 G N 0.992 109.863 108.800 0.118 0.000 2.466 471 G HA2 0.383 4.348 3.960 0.008 0.000 0.291 471 G HA3 0.383 4.348 3.960 0.008 0.000 0.291 471 G C -1.007 173.905 174.900 0.020 0.000 1.460 471 G CA -0.546 44.605 45.100 0.085 0.000 0.791 471 G HN 0.408 nan 8.290 nan 0.000 0.505 472 Q N -0.775 119.030 119.800 0.009 0.000 2.280 472 Q HA 0.230 4.575 4.340 0.008 0.000 0.201 472 Q C 0.615 176.540 176.000 -0.125 0.000 0.890 472 Q CA 0.233 56.005 55.803 -0.052 0.000 0.947 472 Q CB 1.221 29.971 28.738 0.020 0.000 1.081 472 Q HN 0.286 nan 8.270 nan 0.000 0.502 473 V N 0.776 120.655 119.914 -0.058 0.000 2.495 473 V HA 0.460 4.585 4.120 0.008 0.000 0.298 473 V C -0.162 175.900 176.094 -0.053 0.000 1.031 473 V CA -0.789 61.476 62.300 -0.058 0.000 0.871 473 V CB 2.262 34.165 31.823 0.134 0.000 0.988 473 V HN -0.213 nan 8.190 nan 0.000 0.432 474 V N 4.253 124.118 119.914 -0.082 0.000 2.531 474 V HA 0.530 4.655 4.120 0.008 0.000 0.301 474 V C -0.423 175.833 176.094 0.270 0.000 1.034 474 V CA -0.575 61.808 62.300 0.139 0.000 0.865 474 V CB 1.975 33.951 31.823 0.255 0.000 0.995 474 V HN 0.944 nan 8.190 nan 0.000 0.424 475 E N 4.098 124.449 120.200 0.252 0.000 2.248 475 E HA 0.638 4.993 4.350 0.008 0.000 0.267 475 E C -1.076 175.664 176.600 0.233 0.000 0.877 475 E CA -0.640 55.898 56.400 0.230 0.000 0.759 475 E CB 3.183 32.980 29.700 0.162 0.000 1.182 475 E HN 0.683 nan 8.360 nan 0.000 0.418 476 Q N 2.275 122.182 119.800 0.178 0.000 2.377 476 Q HA 0.247 4.592 4.340 0.008 0.000 0.279 476 Q C -1.640 174.402 176.000 0.069 0.000 1.049 476 Q CA -0.884 55.001 55.803 0.136 0.000 0.825 476 Q CB 1.655 30.460 28.738 0.112 0.000 1.401 476 Q HN 0.397 nan 8.270 nan 0.000 0.404 477 L N 3.195 124.449 121.223 0.052 0.000 2.387 477 L HA 0.502 4.847 4.340 0.008 0.000 0.267 477 L C -1.363 175.505 176.870 -0.002 0.000 1.197 477 L CA 0.811 55.664 54.840 0.020 0.000 1.070 477 L CB -0.137 41.931 42.059 0.015 0.000 1.349 477 L HN 0.564 nan 8.230 nan 0.000 0.422 478 S N 2.220 117.906 115.700 -0.023 0.000 2.481 478 S HA 0.280 4.755 4.470 0.008 0.000 0.262 478 S C 0.650 175.177 174.600 -0.121 0.000 1.061 478 S CA -0.509 57.663 58.200 -0.047 0.000 1.039 478 S CB 0.571 63.734 63.200 -0.061 0.000 1.170 478 S HN 0.587 nan 8.310 nan 0.000 0.437 479 E N 2.221 122.354 120.200 -0.111 0.000 2.160 479 E HA -0.115 4.240 4.350 0.008 0.000 0.195 479 E C 1.107 177.450 176.600 -0.429 0.000 0.991 479 E CA 1.923 58.210 56.400 -0.188 0.000 0.810 479 E CB -0.187 29.503 29.700 -0.018 0.000 0.742 479 E HN 0.844 nan 8.360 nan 0.000 0.466 480 H N -0.086 118.853 119.070 -0.219 0.000 2.353 480 H HA -0.048 4.509 4.556 0.003 0.000 0.300 480 H C 1.966 177.014 175.328 -0.467 0.000 1.090 480 H CA 1.421 57.307 56.048 -0.269 0.000 1.327 480 H CB 0.136 29.831 29.762 -0.113 0.000 1.383 480 H HN 0.079 nan 8.280 nan 0.000 0.508 481 Q N -0.366 119.172 119.800 -0.436 0.000 2.083 481 Q HA -0.087 4.258 4.340 0.008 0.000 0.198 481 Q C 2.192 177.512 176.000 -1.133 0.000 0.969 481 Q CA 0.822 56.092 55.803 -0.889 0.000 0.838 481 Q CB 0.051 28.305 28.738 -0.806 0.000 0.900 481 Q HN 0.475 nan 8.270 nan 0.000 0.436 482 M N 0.511 119.618 119.600 -0.822 0.000 2.064 482 M HA -0.150 4.335 4.480 0.008 0.000 0.260 482 M C 2.111 177.692 176.300 -1.197 0.000 1.073 482 M CA 1.435 56.224 55.300 -0.851 0.000 1.124 482 M CB -1.250 30.949 32.600 -0.669 0.000 1.326 482 M HN 0.107 nan 8.290 nan 0.000 0.410 483 E N 0.207 119.573 120.200 -1.390 0.000 2.070 483 E HA -0.153 4.202 4.350 0.008 0.000 0.197 483 E C 2.005 178.221 176.600 -0.640 0.000 1.004 483 E CA 2.146 57.910 56.400 -1.060 0.000 0.805 483 E CB -0.778 28.512 29.700 -0.684 0.000 0.744 483 E HN 0.511 nan 8.360 nan 0.000 0.451 484 G N -1.002 107.464 108.800 -0.557 0.000 2.422 484 G HA2 -0.200 3.765 3.960 0.008 0.000 0.218 484 G HA3 -0.200 3.765 3.960 0.008 0.000 0.218 484 G C 1.543 176.378 174.900 -0.109 0.000 1.140 484 G CA 0.628 45.542 45.100 -0.309 0.000 0.775 484 G HN 0.332 nan 8.290 nan 0.000 0.545 485 F N -0.396 119.266 119.950 -0.481 0.000 2.084 485 F HA -0.005 4.529 4.527 0.013 0.000 0.296 485 F C 2.518 177.942 175.800 -0.628 0.000 1.111 485 F CA 0.237 57.903 58.000 -0.556 0.000 1.224 485 F CB -0.166 38.264 39.000 -0.950 0.000 0.991 485 F HN 0.102 nan 8.300 nan 0.000 0.471 486 L N 1.014 121.777 121.223 -0.767 0.000 2.012 486 L HA -0.241 4.104 4.340 0.008 0.000 0.210 486 L C 2.048 178.859 176.870 -0.098 0.000 1.073 486 L CA 1.827 56.488 54.840 -0.299 0.000 0.748 486 L CB -0.862 41.057 42.059 -0.234 0.000 0.891 486 L HN 0.114 nan 8.230 nan 0.000 0.431 487 E N -0.548 119.524 120.200 -0.213 0.000 2.065 487 E HA -0.296 4.059 4.350 0.008 0.000 0.201 487 E C 2.112 178.601 176.600 -0.185 0.000 1.016 487 E CA 1.574 57.809 56.400 -0.275 0.000 0.818 487 E CB -0.419 29.087 29.700 -0.324 0.000 0.749 487 E HN 0.660 nan 8.360 nan 0.000 0.453 488 A N 0.162 122.926 122.820 -0.093 0.000 2.014 488 A HA -0.166 4.159 4.320 0.008 0.000 0.218 488 A C 1.947 179.565 177.584 0.055 0.000 1.163 488 A CA 0.955 52.952 52.037 -0.067 0.000 0.652 488 A CB -0.552 18.466 19.000 0.029 0.000 0.808 488 A HN 0.363 nan 8.150 nan 0.000 0.449 489 Y N 0.517 120.807 120.300 -0.017 0.000 2.293 489 Y HA -0.092 4.463 4.550 0.008 0.000 0.291 489 Y C 1.853 177.750 175.900 -0.005 0.000 1.137 489 Y CA 1.482 59.603 58.100 0.036 0.000 1.202 489 Y CB -0.178 38.369 38.460 0.145 0.000 0.990 489 Y HN 0.245 nan 8.280 nan 0.000 0.537 490 L N -1.130 120.091 121.223 -0.003 0.000 2.072 490 L HA -0.185 4.160 4.340 0.008 0.000 0.205 490 L C 2.221 179.039 176.870 -0.086 0.000 1.079 490 L CA 0.948 55.739 54.840 -0.081 0.000 0.752 490 L CB -0.582 41.465 42.059 -0.019 0.000 0.906 490 L HN 0.162 nan 8.230 nan 0.000 0.436 491 L N -0.307 120.872 121.223 -0.073 0.000 2.275 491 L HA -0.112 4.233 4.340 0.008 0.000 0.215 491 L C 2.190 179.039 176.870 -0.035 0.000 1.119 491 L CA 1.344 56.151 54.840 -0.055 0.000 0.790 491 L CB -0.528 41.437 42.059 -0.156 0.000 0.919 491 L HN 0.416 nan 8.230 nan 0.000 0.443 492 T N -4.128 110.388 114.554 -0.063 0.000 3.163 492 T HA 0.355 4.710 4.350 0.008 0.000 0.252 492 T C 1.226 175.870 174.700 -0.094 0.000 1.056 492 T CA 0.301 62.373 62.100 -0.048 0.000 0.947 492 T CB 0.595 69.448 68.868 -0.025 0.000 1.016 492 T HN 0.390 nan 8.240 nan 0.000 0.554 493 G N 0.916 109.636 108.800 -0.133 0.000 2.148 493 G HA2 -0.182 3.783 3.960 0.008 0.000 0.203 493 G HA3 -0.182 3.783 3.960 0.008 0.000 0.203 493 G C 0.108 174.858 174.900 -0.250 0.000 0.993 493 G CA -0.345 44.668 45.100 -0.145 0.000 0.661 493 G HN 0.626 nan 8.290 nan 0.000 0.518 494 R N -0.351 119.903 120.500 -0.410 0.000 2.917 494 R HA 0.899 5.244 4.340 0.008 0.000 0.220 494 R C 0.288 176.291 176.300 -0.496 0.000 1.485 494 R CA -0.551 55.255 56.100 -0.490 0.000 1.037 494 R CB 0.533 30.223 30.300 -1.018 0.000 1.929 494 R HN 0.413 nan 8.270 nan 0.000 0.526 495 H N -1.792 117.206 119.070 -0.120 0.000 2.928 495 H HA 0.684 5.245 4.556 0.008 0.000 0.371 495 H C -0.391 174.762 175.328 -0.292 0.000 1.186 495 H CA -0.692 55.324 56.048 -0.054 0.000 1.134 495 H CB 2.210 32.012 29.762 0.066 0.000 1.824 495 H HN 0.737 nan 8.280 nan 0.000 0.554 496 G N 0.241 108.812 108.800 -0.382 0.000 2.348 496 G HA2 0.401 4.366 3.960 0.008 0.000 0.296 496 G HA3 0.401 4.366 3.960 0.008 0.000 0.296 496 G C -1.911 172.825 174.900 -0.274 0.000 1.258 496 G CA -0.507 43.975 45.100 -1.029 0.000 0.868 496 G HN 0.567 nan 8.290 nan 0.000 0.488 497 I N -0.060 120.514 120.570 0.006 0.000 2.913 497 I HA 0.733 4.908 4.170 0.008 0.000 0.302 497 I C -1.456 174.927 176.117 0.444 0.000 1.246 497 I CA -1.152 60.346 61.300 0.331 0.000 1.010 497 I CB 2.101 40.396 38.000 0.491 0.000 1.259 497 I HN 0.919 nan 8.210 nan 0.000 0.434 498 W N 4.969 126.387 121.300 0.196 0.000 2.902 498 W HA 0.812 5.474 4.660 0.004 0.000 0.346 498 W C -1.695 174.908 176.519 0.141 0.000 1.139 498 W CA -1.048 56.413 57.345 0.193 0.000 1.139 498 W CB 0.787 30.370 29.460 0.206 0.000 1.439 498 W HN 0.631 nan 8.180 nan 0.000 0.558 499 S N 1.124 116.901 115.700 0.128 0.000 2.570 499 S HA 0.726 5.201 4.470 0.008 0.000 0.286 499 S C -1.251 173.235 174.600 -0.190 0.000 1.099 499 S CA -0.568 57.559 58.200 -0.123 0.000 0.913 499 S CB 1.975 65.198 63.200 0.039 0.000 1.085 499 S HN 0.884 nan 8.310 nan 0.000 0.480 500 S N 1.101 116.635 115.700 -0.276 0.000 2.550 500 S HA 0.582 5.057 4.470 0.008 0.000 0.270 500 S C -1.642 172.982 174.600 0.040 0.000 1.145 500 S CA -0.676 57.431 58.200 -0.155 0.000 0.852 500 S CB 0.577 63.579 63.200 -0.330 0.000 1.119 500 S HN 0.607 nan 8.310 nan 0.000 0.465 501 Y N 2.528 122.814 120.300 -0.023 0.000 2.702 501 Y HA 0.112 4.666 4.550 0.006 0.000 0.336 501 Y C 2.022 177.815 175.900 -0.180 0.000 1.235 501 Y CA 0.106 58.149 58.100 -0.096 0.000 1.492 501 Y CB 0.250 38.626 38.460 -0.141 0.000 1.308 501 Y HN 0.973 nan 8.280 nan 0.000 0.589 502 E N 1.056 121.249 120.200 -0.011 0.000 2.077 502 E HA -0.213 4.142 4.350 0.008 0.000 0.193 502 E C 1.864 178.387 176.600 -0.128 0.000 0.989 502 E CA 1.786 58.145 56.400 -0.068 0.000 0.800 502 E CB 0.144 29.835 29.700 -0.015 0.000 0.746 502 E HN 0.721 nan 8.360 nan 0.000 0.452 503 S N -0.353 115.187 115.700 -0.267 0.000 2.428 503 S HA -0.095 4.380 4.470 0.008 0.000 0.230 503 S C 1.494 176.045 174.600 -0.082 0.000 1.014 503 S CA 0.602 58.657 58.200 -0.243 0.000 0.957 503 S CB -0.385 62.530 63.200 -0.475 0.000 0.784 503 S HN 0.275 nan 8.310 nan 0.000 0.499 504 F N 1.528 121.516 119.950 0.063 0.000 2.797 504 F HA 0.378 4.912 4.527 0.012 0.000 0.302 504 F C 2.085 177.907 175.800 0.037 0.000 1.130 504 F CA -1.267 56.760 58.000 0.045 0.000 1.387 504 F CB -1.041 37.966 39.000 0.011 0.000 1.107 504 F HN 0.033 nan 8.300 nan 0.000 0.577 505 V N 0.141 120.103 119.914 0.080 0.000 2.380 505 V HA -0.334 3.791 4.120 0.008 0.000 0.251 505 V C 2.533 178.640 176.094 0.021 0.000 1.063 505 V CA 1.954 64.252 62.300 -0.003 0.000 1.055 505 V CB -0.760 30.971 31.823 -0.153 0.000 0.657 505 V HN 0.423 nan 8.190 nan 0.000 0.455 506 H N -0.637 118.482 119.070 0.082 0.000 2.460 506 H HA -0.117 4.445 4.556 0.011 0.000 0.297 506 H C 2.372 177.744 175.328 0.073 0.000 1.103 506 H CA 1.696 57.791 56.048 0.078 0.000 1.292 506 H CB -0.216 29.592 29.762 0.075 0.000 1.376 506 H HN 0.347 nan 8.280 nan 0.000 0.531 507 V N 1.675 121.698 119.914 0.181 0.000 2.453 507 V HA -0.236 3.889 4.120 0.008 0.000 0.252 507 V C 1.869 177.937 176.094 -0.043 0.000 1.068 507 V CA 1.921 64.259 62.300 0.063 0.000 1.070 507 V CB -0.417 31.396 31.823 -0.016 0.000 0.664 507 V HN 0.356 nan 8.190 nan 0.000 0.461 508 I N -3.654 116.896 120.570 -0.034 0.000 3.877 508 I HA 0.332 4.507 4.170 0.008 0.000 0.332 508 I C 1.078 177.216 176.117 0.035 0.000 1.525 508 I CA -0.085 61.181 61.300 -0.058 0.000 1.146 508 I CB -0.240 37.694 38.000 -0.110 0.000 1.137 508 I HN -0.101 nan 8.210 nan 0.000 0.424 509 D N 1.929 122.376 120.400 0.078 0.000 2.116 509 D HA -0.228 4.417 4.640 0.008 0.000 0.193 509 D C 2.349 178.701 176.300 0.085 0.000 0.998 509 D CA 2.329 56.381 54.000 0.087 0.000 0.836 509 D CB -0.053 40.831 40.800 0.141 0.000 0.951 509 D HN 0.618 nan 8.370 nan 0.000 0.449 510 S N -0.345 115.417 115.700 0.103 0.000 2.423 510 S HA -0.089 4.386 4.470 0.008 0.000 0.231 510 S C 2.078 176.712 174.600 0.057 0.000 1.014 510 S CA 0.582 58.847 58.200 0.110 0.000 0.965 510 S CB -0.286 63.011 63.200 0.163 0.000 0.785 510 S HN 0.206 nan 8.310 nan 0.000 0.495 511 M N 0.959 120.533 119.600 -0.044 0.000 2.132 511 M HA 0.075 4.559 4.480 0.008 0.000 0.263 511 M C 2.175 178.455 176.300 -0.034 0.000 1.065 511 M CA 1.234 56.413 55.300 -0.201 0.000 1.122 511 M CB -0.691 31.675 32.600 -0.390 0.000 1.365 511 M HN 0.304 nan 8.290 nan 0.000 0.411 512 L N 0.229 121.469 121.223 0.030 0.000 2.042 512 L HA -0.262 4.083 4.340 0.008 0.000 0.210 512 L C 2.226 179.163 176.870 0.112 0.000 1.076 512 L CA 1.038 55.934 54.840 0.094 0.000 0.749 512 L CB -1.004 41.108 42.059 0.089 0.000 0.893 512 L HN 0.364 nan 8.230 nan 0.000 0.432 513 N N -0.361 118.395 118.700 0.093 0.000 2.069 513 N HA -0.186 4.559 4.740 0.008 0.000 0.191 513 N C 1.917 177.493 175.510 0.110 0.000 1.031 513 N CA 1.141 54.251 53.050 0.099 0.000 0.852 513 N CB -0.293 38.250 38.487 0.092 0.000 1.018 513 N HN 0.328 nan 8.380 nan 0.000 0.423 514 Q N -0.019 119.848 119.800 0.111 0.000 2.084 514 Q HA -0.152 4.193 4.340 0.008 0.000 0.202 514 Q C 1.931 178.041 176.000 0.182 0.000 0.978 514 Q CA 1.288 57.173 55.803 0.136 0.000 0.844 514 Q CB -0.708 28.107 28.738 0.129 0.000 0.898 514 Q HN 0.613 nan 8.270 nan 0.000 0.426 515 H N 0.611 119.718 119.070 0.061 0.000 2.389 515 H HA 0.056 4.616 4.556 0.008 0.000 0.299 515 H C 1.809 177.227 175.328 0.149 0.000 1.081 515 H CA 1.596 57.686 56.048 0.070 0.000 1.345 515 H CB 0.036 29.798 29.762 0.000 0.000 1.393 515 H HN 0.237 nan 8.280 nan 0.000 0.520 516 A N 0.853 123.738 122.820 0.109 0.000 1.902 516 A HA -0.175 4.150 4.320 0.008 0.000 0.217 516 A C 2.245 179.863 177.584 0.057 0.000 1.181 516 A CA 1.783 53.859 52.037 0.066 0.000 0.623 516 A CB -0.341 18.717 19.000 0.097 0.000 0.818 516 A HN 0.467 nan 8.150 nan 0.000 0.443 517 K N -1.420 119.032 120.400 0.088 0.000 2.103 517 K HA -0.144 4.181 4.320 0.008 0.000 0.204 517 K C 1.942 178.585 176.600 0.071 0.000 1.052 517 K CA 1.085 57.414 56.287 0.069 0.000 0.945 517 K CB -0.277 32.267 32.500 0.073 0.000 0.722 517 K HN 0.775 nan 8.250 nan 0.000 0.443 518 W N 2.201 123.450 121.300 -0.086 0.000 2.317 518 W HA -0.254 4.411 4.660 0.008 0.000 0.318 518 W C 1.462 177.887 176.519 -0.156 0.000 1.227 518 W CA 1.559 58.833 57.345 -0.118 0.000 1.269 518 W CB -0.452 28.926 29.460 -0.137 0.000 1.155 518 W HN 0.032 nan 8.180 nan 0.000 0.484 519 L N 0.362 121.614 121.223 0.048 0.000 2.027 519 L HA -0.215 4.130 4.340 0.008 0.000 0.206 519 L C 2.568 179.403 176.870 -0.059 0.000 1.074 519 L CA 1.676 56.501 54.840 -0.026 0.000 0.745 519 L CB -1.002 41.028 42.059 -0.049 0.000 0.898 519 L HN -0.040 nan 8.230 nan 0.000 0.433 520 E N 0.255 120.436 120.200 -0.032 0.000 2.049 520 E HA -0.267 4.088 4.350 0.008 0.000 0.198 520 E C 2.282 178.837 176.600 -0.074 0.000 1.007 520 E CA 1.394 57.779 56.400 -0.025 0.000 0.809 520 E CB -0.210 29.490 29.700 -0.001 0.000 0.749 520 E HN 0.505 nan 8.360 nan 0.000 0.450 521 A N 0.689 123.434 122.820 -0.125 0.000 1.902 521 A HA -0.180 4.144 4.320 0.008 0.000 0.217 521 A C 2.372 179.821 177.584 -0.225 0.000 1.181 521 A CA 1.919 53.853 52.037 -0.172 0.000 0.623 521 A CB -0.823 18.050 19.000 -0.211 0.000 0.818 521 A HN 0.193 nan 8.150 nan 0.000 0.443 522 T N -0.021 114.353 114.554 -0.299 0.000 2.708 522 T HA -0.132 4.223 4.350 0.008 0.000 0.266 522 T C 1.973 176.554 174.700 -0.198 0.000 1.037 522 T CA 2.096 63.999 62.100 -0.327 0.000 1.146 522 T CB -0.717 67.940 68.868 -0.352 0.000 0.865 522 T HN 0.672 nan 8.240 nan 0.000 0.435 523 V N 0.115 119.961 119.914 -0.114 0.000 2.809 523 V HA 0.063 4.188 4.120 0.008 0.000 0.256 523 V C 2.183 178.257 176.094 -0.034 0.000 1.080 523 V CA 1.129 63.395 62.300 -0.057 0.000 1.102 523 V CB -0.733 31.083 31.823 -0.012 0.000 0.705 523 V HN 0.286 nan 8.190 nan 0.000 0.475 524 R N 1.528 122.006 120.500 -0.036 0.000 2.066 524 R HA 0.072 4.417 4.340 0.008 0.000 0.224 524 R C 1.816 178.109 176.300 -0.011 0.000 1.122 524 R CA 1.648 57.752 56.100 0.006 0.000 0.974 524 R CB -0.003 30.300 30.300 0.004 0.000 0.871 524 R HN 0.872 nan 8.270 nan 0.000 0.435 525 E N -0.578 119.589 120.200 -0.055 0.000 2.862 525 E HA 0.148 4.503 4.350 0.008 0.000 0.204 525 E C -0.352 176.204 176.600 -0.073 0.000 0.966 525 E CA -0.094 56.288 56.400 -0.030 0.000 1.257 525 E CB 0.490 30.195 29.700 0.008 0.000 1.053 525 E HN 0.158 nan 8.360 nan 0.000 0.487 526 I N 1.935 122.378 120.570 -0.212 0.000 2.833 526 I HA 0.262 4.437 4.170 0.008 0.000 0.286 526 I C -1.984 173.831 176.117 -0.502 0.000 1.287 526 I CA -2.071 58.944 61.300 -0.475 0.000 1.046 526 I CB 1.069 38.632 38.000 -0.728 0.000 1.612 526 I HN -0.098 nan 8.210 nan 0.000 0.585 527 P HA -0.116 nan 4.420 nan 0.000 0.226 527 P C 1.438 178.694 177.300 -0.073 0.000 1.153 527 P CA 1.086 64.117 63.100 -0.116 0.000 0.777 527 P CB -0.085 31.612 31.700 -0.005 0.000 0.794 528 W N 0.351 121.604 121.300 -0.077 0.000 2.699 528 W HA 0.113 4.778 4.660 0.008 0.000 0.249 528 W C 0.547 177.035 176.519 -0.052 0.000 1.280 528 W CA -0.372 56.922 57.345 -0.085 0.000 1.345 528 W CB -1.175 28.195 29.460 -0.150 0.000 1.128 528 W HN -0.108 nan 8.180 nan 0.000 0.642 529 R N 3.160 123.388 120.500 -0.453 0.000 2.296 529 R HA 0.094 4.439 4.340 0.008 0.000 0.327 529 R C 0.369 176.576 176.300 -0.156 0.000 1.137 529 R CA -0.321 55.553 56.100 -0.375 0.000 1.020 529 R CB 0.434 30.283 30.300 -0.752 0.000 1.110 529 R HN -0.328 nan 8.270 nan 0.000 0.499 530 K N 3.944 124.330 120.400 -0.023 0.000 2.276 530 K HA 0.164 4.489 4.320 0.008 0.000 0.259 530 K C -2.302 174.303 176.600 0.009 0.000 1.001 530 K CA -2.042 54.247 56.287 0.004 0.000 0.927 530 K CB 0.175 32.699 32.500 0.040 0.000 0.969 530 K HN 0.428 nan 8.250 nan 0.000 0.490 531 P HA 0.110 nan 4.420 nan 0.000 0.271 531 P C -0.144 177.180 177.300 0.041 0.000 1.220 531 P CA -0.037 63.082 63.100 0.033 0.000 0.768 531 P CB 0.292 32.018 31.700 0.044 0.000 0.848 532 I N -0.151 120.451 120.570 0.054 0.000 2.918 532 I HA 0.755 4.930 4.170 0.008 0.000 0.316 532 I C 0.161 176.297 176.117 0.031 0.000 1.001 532 I CA -1.467 59.853 61.300 0.033 0.000 1.142 532 I CB 1.382 39.422 38.000 0.066 0.000 1.356 532 I HN 0.202 nan 8.210 nan 0.000 0.524 533 A N 2.963 125.757 122.820 -0.043 0.000 2.448 533 A HA 0.376 4.701 4.320 0.008 0.000 0.239 533 A C 0.387 178.029 177.584 0.096 0.000 1.080 533 A CA -0.168 51.862 52.037 -0.011 0.000 0.779 533 A CB -0.109 18.752 19.000 -0.233 0.000 1.026 533 A HN 0.799 nan 8.150 nan 0.000 0.499 534 S N 1.046 116.842 115.700 0.161 0.000 2.601 534 S HA 0.356 4.831 4.470 0.008 0.000 0.271 534 S C 0.235 174.956 174.600 0.202 0.000 1.305 534 S CA -0.440 57.877 58.200 0.195 0.000 1.022 534 S CB 0.684 64.004 63.200 0.200 0.000 0.940 534 S HN 0.674 nan 8.310 nan 0.000 0.525 535 M N 4.198 123.929 119.600 0.218 0.000 2.201 535 M HA 0.213 4.698 4.480 0.008 0.000 0.345 535 M C -1.070 175.359 176.300 0.215 0.000 1.352 535 M CA -0.266 55.148 55.300 0.190 0.000 1.218 535 M CB -0.922 31.753 32.600 0.125 0.000 1.512 535 M HN 0.462 nan 8.290 nan 0.000 0.447 536 N N 5.318 124.158 118.700 0.233 0.000 2.419 536 N HA 0.415 5.160 4.740 0.008 0.000 0.277 536 N C -1.199 174.399 175.510 0.146 0.000 1.006 536 N CA -0.479 52.682 53.050 0.184 0.000 0.923 536 N CB 2.085 40.694 38.487 0.205 0.000 1.140 536 N HN 0.553 nan 8.380 nan 0.000 0.488 537 L N 3.215 124.440 121.223 0.004 0.000 2.415 537 L HA 0.408 4.753 4.340 0.008 0.000 0.268 537 L C -1.277 175.470 176.870 -0.205 0.000 0.984 537 L CA -0.909 53.787 54.840 -0.241 0.000 0.853 537 L CB 1.219 43.078 42.059 -0.334 0.000 1.215 537 L HN 0.381 nan 8.230 nan 0.000 0.419 538 L N 6.518 127.633 121.223 -0.180 0.000 2.385 538 L HA 0.375 4.720 4.340 0.008 0.000 0.281 538 L C -0.717 176.056 176.870 -0.161 0.000 1.106 538 L CA 0.354 55.131 54.840 -0.106 0.000 0.856 538 L CB 0.749 42.792 42.059 -0.025 0.000 1.186 538 L HN 0.447 nan 8.230 nan 0.000 0.453 539 V N 5.928 125.769 119.914 -0.123 0.000 2.353 539 V HA 0.489 4.614 4.120 0.008 0.000 0.264 539 V C 0.431 176.526 176.094 0.001 0.000 1.049 539 V CA 0.131 62.371 62.300 -0.101 0.000 0.896 539 V CB 0.261 32.021 31.823 -0.104 0.000 1.025 539 V HN 0.953 nan 8.190 nan 0.000 0.475 540 S N 2.886 118.605 115.700 0.032 0.000 2.998 540 S HA 0.531 5.006 4.470 0.008 0.000 0.323 540 S C 0.290 174.902 174.600 0.020 0.000 1.141 540 S CA 0.049 58.288 58.200 0.064 0.000 0.873 540 S CB 1.782 65.016 63.200 0.056 0.000 1.315 540 S HN 0.884 nan 8.310 nan 0.000 0.637 541 S N 1.801 117.440 115.700 -0.102 0.000 3.378 541 S HA -0.166 4.309 4.470 0.008 0.000 0.365 541 S C -0.127 174.318 174.600 -0.259 0.000 0.951 541 S CA 1.445 59.473 58.200 -0.286 0.000 1.274 541 S CB -2.221 60.662 63.200 -0.528 0.000 0.915 541 S HN 0.934 nan 8.310 nan 0.000 0.513 542 H N -1.906 117.132 119.070 -0.053 0.000 2.509 542 H HA 0.647 5.208 4.556 0.007 0.000 0.360 542 H C 1.546 176.756 175.328 -0.198 0.000 1.398 542 H CA -0.432 55.579 56.048 -0.062 0.000 1.429 542 H CB -0.330 29.532 29.762 0.167 0.000 1.611 542 H HN 0.021 nan 8.280 nan 0.000 0.606 543 V N -0.197 119.607 119.914 -0.184 0.000 2.317 543 V HA -0.294 3.831 4.120 0.008 0.000 0.251 543 V C 1.274 177.044 176.094 -0.540 0.000 1.065 543 V CA 2.182 64.077 62.300 -0.674 0.000 1.049 543 V CB -0.861 30.103 31.823 -1.432 0.000 0.651 543 V HN 0.820 nan 8.190 nan 0.000 0.450 544 W N -0.473 120.917 121.300 0.149 0.000 2.678 544 W HA 0.155 4.823 4.660 0.013 0.000 0.256 544 W C 1.426 178.023 176.519 0.130 0.000 1.280 544 W CA -0.163 57.266 57.345 0.141 0.000 1.345 544 W CB 0.072 29.641 29.460 0.181 0.000 1.118 544 W HN 0.019 nan 8.180 nan 0.000 0.629 545 R N 0.719 121.339 120.500 0.201 0.000 2.718 545 R HA 0.143 4.488 4.340 0.008 0.000 0.307 545 R C -0.114 176.127 176.300 -0.099 0.000 1.244 545 R CA -0.131 55.995 56.100 0.042 0.000 1.348 545 R CB 0.061 30.355 30.300 -0.010 0.000 1.304 545 R HN 0.071 nan 8.270 nan 0.000 0.663 546 Q N 1.483 121.222 119.800 -0.101 0.000 3.181 546 Q HA 0.057 4.401 4.340 0.008 0.000 0.293 546 Q C 0.065 175.971 176.000 -0.157 0.000 1.406 546 Q CA 0.068 55.776 55.803 -0.159 0.000 1.026 546 Q CB 0.598 29.248 28.738 -0.146 0.000 1.630 546 Q HN 0.213 nan 8.270 nan 0.000 0.553 547 D N 0.114 120.391 120.400 -0.205 0.000 2.087 547 D HA -0.182 4.463 4.640 0.008 0.000 0.192 547 D C 1.191 177.316 176.300 -0.292 0.000 0.993 547 D CA 1.421 55.259 54.000 -0.271 0.000 0.828 547 D CB 0.042 40.592 40.800 -0.417 0.000 0.968 547 D HN 0.544 nan 8.370 nan 0.000 0.448 548 H N 0.063 119.094 119.070 -0.065 0.000 2.559 548 H HA 0.093 4.653 4.556 0.007 0.000 0.273 548 H C 0.979 176.242 175.328 -0.110 0.000 1.000 548 H CA 0.610 56.623 56.048 -0.058 0.000 1.195 548 H CB 0.220 29.964 29.762 -0.029 0.000 1.368 548 H HN 0.210 nan 8.280 nan 0.000 0.592 549 N N -0.543 118.075 118.700 -0.137 0.000 2.430 549 N HA 0.098 4.843 4.740 0.008 0.000 0.235 549 N C 1.270 176.674 175.510 -0.177 0.000 1.108 549 N CA 0.903 53.760 53.050 -0.323 0.000 0.834 549 N CB 1.831 39.712 38.487 -1.010 0.000 1.430 549 N HN 0.368 nan 8.380 nan 0.000 0.463 550 G N 1.800 110.559 108.800 -0.068 0.000 2.593 550 G HA2 -0.336 3.629 3.960 0.008 0.000 0.237 550 G HA3 -0.336 3.629 3.960 0.008 0.000 0.237 550 G C 0.460 175.471 174.900 0.185 0.000 1.312 550 G CA 0.120 45.263 45.100 0.072 0.000 0.896 550 G HN 0.143 nan 8.290 nan 0.000 0.574 551 F N 2.228 122.221 119.950 0.072 0.000 2.126 551 F HA -0.070 4.462 4.527 0.009 0.000 0.299 551 F C 3.083 178.960 175.800 0.128 0.000 1.096 551 F CA 2.724 60.779 58.000 0.092 0.000 1.255 551 F CB -0.547 38.502 39.000 0.082 0.000 0.997 551 F HN 0.793 nan 8.300 nan 0.000 0.479 552 S N -1.677 114.126 115.700 0.172 0.000 2.447 552 S HA -0.193 4.282 4.470 0.008 0.000 0.233 552 S C 1.361 176.029 174.600 0.113 0.000 1.006 552 S CA 1.230 59.501 58.200 0.118 0.000 0.957 552 S CB -0.913 62.450 63.200 0.272 0.000 0.773 552 S HN 0.530 nan 8.310 nan 0.000 0.507 553 H N 1.253 120.304 119.070 -0.030 0.000 2.517 553 H HA 0.426 4.988 4.556 0.010 0.000 0.282 553 H C -0.100 175.052 175.328 -0.293 0.000 1.023 553 H CA 0.025 55.957 56.048 -0.194 0.000 1.169 553 H CB 0.034 29.720 29.762 -0.127 0.000 1.454 553 H HN 0.540 nan 8.280 nan 0.000 0.556 554 Q N 0.962 120.645 119.800 -0.193 0.000 2.508 554 Q HA 0.231 4.576 4.340 0.008 0.000 0.247 554 Q C -1.029 174.702 176.000 -0.448 0.000 1.047 554 Q CA -0.380 55.201 55.803 -0.371 0.000 0.783 554 Q CB 1.368 29.961 28.738 -0.240 0.000 1.172 554 Q HN 0.152 nan 8.270 nan 0.000 0.515 555 D N 2.817 122.968 120.400 -0.416 0.000 2.312 555 D HA 0.110 4.755 4.640 0.008 0.000 0.229 555 D C -2.469 173.776 176.300 -0.091 0.000 1.337 555 D CA -1.358 52.531 54.000 -0.185 0.000 0.964 555 D CB 1.715 42.508 40.800 -0.010 0.000 1.456 555 D HN 0.169 nan 8.370 nan 0.000 0.547 556 P HA 0.231 nan 4.420 nan 0.000 0.254 556 P C 1.033 178.409 177.300 0.127 0.000 1.494 556 P CA -0.089 62.924 63.100 -0.145 0.000 0.961 556 P CB 0.173 31.618 31.700 -0.425 0.000 1.493 557 G N 0.225 109.290 108.800 0.441 0.000 2.956 557 G HA2 -0.086 3.879 3.960 0.008 0.000 0.207 557 G HA3 -0.086 3.879 3.960 0.008 0.000 0.207 557 G C 1.245 176.304 174.900 0.265 0.000 1.162 557 G CA -0.012 45.428 45.100 0.567 0.000 0.796 557 G HN 0.259 nan 8.290 nan 0.000 0.527 558 V N 1.735 121.613 119.914 -0.060 0.000 2.594 558 V HA -0.186 3.939 4.120 0.008 0.000 0.253 558 V C 3.195 179.308 176.094 0.032 0.000 1.069 558 V CA 2.965 65.170 62.300 -0.157 0.000 1.082 558 V CB -0.620 31.056 31.823 -0.245 0.000 0.680 558 V HN 0.605 nan 8.190 nan 0.000 0.469 559 T N -1.931 112.697 114.554 0.123 0.000 2.665 559 T HA -0.245 4.110 4.350 0.008 0.000 0.268 559 T C 1.935 176.756 174.700 0.202 0.000 1.035 559 T CA 2.211 64.429 62.100 0.197 0.000 1.151 559 T CB -0.910 68.182 68.868 0.373 0.000 0.862 559 T HN 0.536 nan 8.240 nan 0.000 0.438 560 S N 1.047 116.894 115.700 0.244 0.000 2.382 560 S HA -0.015 4.460 4.470 0.008 0.000 0.228 560 S C 2.240 176.927 174.600 0.145 0.000 1.027 560 S CA 1.078 59.403 58.200 0.208 0.000 0.991 560 S CB -0.595 62.735 63.200 0.217 0.000 0.823 560 S HN 0.416 nan 8.310 nan 0.000 0.469 561 V N 1.949 121.943 119.914 0.133 0.000 2.453 561 V HA -0.051 4.073 4.120 0.008 0.000 0.247 561 V C 2.103 178.249 176.094 0.085 0.000 1.048 561 V CA 1.246 63.611 62.300 0.107 0.000 1.049 561 V CB -0.627 31.256 31.823 0.100 0.000 0.672 561 V HN 0.422 nan 8.190 nan 0.000 0.457 562 L N -0.935 120.328 121.223 0.067 0.000 2.156 562 L HA -0.116 4.229 4.340 0.008 0.000 0.208 562 L C 2.333 179.222 176.870 0.031 0.000 1.095 562 L CA 0.703 55.571 54.840 0.046 0.000 0.770 562 L CB -0.427 41.643 42.059 0.019 0.000 0.914 562 L HN 0.300 nan 8.230 nan 0.000 0.439 563 L N 0.151 121.396 121.223 0.035 0.000 2.265 563 L HA -0.175 4.170 4.340 0.008 0.000 0.215 563 L C 1.802 178.652 176.870 -0.033 0.000 1.117 563 L CA 1.449 56.280 54.840 -0.015 0.000 0.782 563 L CB -1.104 40.967 42.059 0.020 0.000 0.914 563 L HN 0.311 nan 8.230 nan 0.000 0.441 564 N N -0.341 118.401 118.700 0.070 0.000 2.515 564 N HA -0.049 4.696 4.740 0.008 0.000 0.191 564 N C 0.669 176.340 175.510 0.269 0.000 1.182 564 N CA 0.393 53.554 53.050 0.185 0.000 0.879 564 N CB 0.116 38.709 38.487 0.176 0.000 0.984 564 N HN 0.205 nan 8.380 nan 0.000 0.453 565 K N -0.076 120.400 120.400 0.126 0.000 2.676 565 K HA 0.268 4.593 4.320 0.008 0.000 0.205 565 K C -0.552 176.078 176.600 0.050 0.000 1.084 565 K CA -0.162 56.221 56.287 0.160 0.000 1.057 565 K CB 0.078 32.648 32.500 0.116 0.000 0.791 565 K HN 0.002 nan 8.250 nan 0.000 0.484 566 C N 1.706 120.883 119.300 -0.205 0.000 2.627 566 C HA 0.519 4.984 4.460 0.008 0.000 0.369 566 C C -0.179 174.473 174.990 -0.564 0.000 1.246 566 C CA -0.840 57.999 59.018 -0.298 0.000 1.663 566 C CB -1.904 25.678 27.740 -0.263 0.000 1.778 566 C HN 0.157 nan 8.230 nan 0.000 0.516 567 F N -0.759 119.206 119.950 0.026 0.000 2.598 567 F HA 0.515 5.047 4.527 0.007 0.000 0.327 567 F C 1.067 176.905 175.800 0.063 0.000 1.057 567 F CA -0.634 57.390 58.000 0.041 0.000 0.957 567 F CB 0.526 39.549 39.000 0.039 0.000 1.278 567 F HN 0.499 nan 8.300 nan 0.000 0.484 568 H N 0.831 119.986 119.070 0.142 0.000 3.080 568 H HA -0.238 4.323 4.556 0.008 0.000 0.254 568 H C 0.431 175.714 175.328 -0.075 0.000 1.179 568 H CA 0.697 56.770 56.048 0.042 0.000 1.144 568 H CB -1.332 28.460 29.762 0.050 0.000 1.261 568 H HN 0.652 nan 8.280 nan 0.000 0.333 569 N N -0.127 118.464 118.700 -0.182 0.000 2.708 569 N HA -0.207 4.538 4.740 0.008 0.000 0.249 569 N C 0.304 175.423 175.510 -0.653 0.000 1.097 569 N CA 1.238 53.962 53.050 -0.543 0.000 0.710 569 N CB -0.831 37.449 38.487 -0.346 0.000 1.032 569 N HN 0.679 nan 8.380 nan 0.000 0.551 570 D N 0.065 120.297 120.400 -0.281 0.000 2.144 570 D HA -0.119 4.526 4.640 0.008 0.000 0.199 570 D C 0.451 176.682 176.300 -0.114 0.000 0.984 570 D CA 1.036 54.967 54.000 -0.116 0.000 0.834 570 D CB -0.231 40.584 40.800 0.024 0.000 0.955 570 D HN 0.504 nan 8.370 nan 0.000 0.465 571 H N -1.096 118.005 119.070 0.051 0.000 2.713 571 H HA -0.112 4.449 4.556 0.008 0.000 0.311 571 H C 1.133 176.492 175.328 0.050 0.000 1.175 571 H CA 0.801 56.875 56.048 0.043 0.000 1.143 571 H CB -2.096 27.693 29.762 0.045 0.000 1.434 571 H HN 0.220 nan 8.280 nan 0.000 0.418 572 V N -2.478 117.510 119.914 0.123 0.000 3.542 572 V HA 0.304 4.429 4.120 0.008 0.000 0.296 572 V C 0.775 176.927 176.094 0.097 0.000 1.364 572 V CA 0.126 62.487 62.300 0.102 0.000 1.118 572 V CB 0.523 32.387 31.823 0.068 0.000 0.972 572 V HN 0.169 nan 8.190 nan 0.000 0.430 573 I N 1.593 122.213 120.570 0.083 0.000 2.533 573 I HA 0.773 4.948 4.170 0.008 0.000 0.290 573 I C 0.334 176.447 176.117 -0.007 0.000 1.056 573 I CA -0.272 61.054 61.300 0.044 0.000 1.057 573 I CB 1.339 39.350 38.000 0.018 0.000 1.240 573 I HN 0.211 nan 8.210 nan 0.000 0.423 574 G N 6.495 115.265 108.800 -0.051 0.000 2.452 574 G HA2 0.799 4.764 3.960 0.008 0.000 0.324 574 G HA3 0.799 4.764 3.960 0.008 0.000 0.324 574 G C -0.944 173.680 174.900 -0.460 0.000 1.214 574 G CA -0.407 44.505 45.100 -0.315 0.000 0.947 574 G HN 0.451 nan 8.290 nan 0.000 0.478 575 I N 1.778 121.923 120.570 -0.707 0.000 2.448 575 I HA 0.305 4.480 4.170 0.008 0.000 0.281 575 I C -1.296 174.398 176.117 -0.705 0.000 1.027 575 I CA -0.642 60.345 61.300 -0.523 0.000 1.111 575 I CB 1.507 39.349 38.000 -0.264 0.000 1.236 575 I HN 0.335 nan 8.210 nan 0.000 0.452 576 Y N 5.225 125.322 120.300 -0.337 0.000 2.446 576 Y HA 0.571 5.126 4.550 0.008 0.000 0.345 576 Y C -0.629 174.941 175.900 -0.549 0.000 0.984 576 Y CA -0.986 56.945 58.100 -0.281 0.000 1.058 576 Y CB 1.795 40.182 38.460 -0.122 0.000 1.220 576 Y HN 0.275 nan 8.280 nan 0.000 0.455 577 F N 1.435 121.502 119.950 0.194 0.000 2.382 577 F HA 0.593 5.125 4.527 0.007 0.000 0.361 577 F C 0.240 176.104 175.800 0.107 0.000 1.109 577 F CA -1.181 56.867 58.000 0.080 0.000 1.031 577 F CB 1.195 40.229 39.000 0.056 0.000 1.234 577 F HN 0.594 nan 8.300 nan 0.000 0.445 578 A N 2.607 125.542 122.820 0.191 0.000 2.475 578 A HA 0.276 4.601 4.320 0.008 0.000 0.293 578 A C 1.227 178.948 177.584 0.229 0.000 1.252 578 A CA -0.134 52.008 52.037 0.175 0.000 0.920 578 A CB -0.384 18.686 19.000 0.116 0.000 1.125 578 A HN 0.878 nan 8.150 nan 0.000 0.528 579 T N 1.414 116.133 114.554 0.275 0.000 2.881 579 T HA -0.024 4.331 4.350 0.008 0.000 0.270 579 T C 0.428 175.365 174.700 0.394 0.000 1.068 579 T CA 1.782 64.090 62.100 0.348 0.000 1.131 579 T CB -0.462 68.673 68.868 0.445 0.000 0.871 579 T HN 0.976 nan 8.240 nan 0.000 0.479 580 D N -1.936 118.637 120.400 0.290 0.000 2.792 580 D HA 0.542 5.187 4.640 0.008 0.000 0.335 580 D C 0.786 177.171 176.300 0.142 0.000 1.353 580 D CA -0.186 53.944 54.000 0.217 0.000 0.839 580 D CB 0.352 41.274 40.800 0.204 0.000 1.396 580 D HN -0.110 nan 8.370 nan 0.000 0.479 581 A N -0.173 122.705 122.820 0.097 0.000 1.940 581 A HA -0.185 4.140 4.320 0.008 0.000 0.219 581 A C 1.644 179.258 177.584 0.051 0.000 1.176 581 A CA 1.745 53.825 52.037 0.071 0.000 0.631 581 A CB -0.923 18.117 19.000 0.066 0.000 0.814 581 A HN 0.526 nan 8.150 nan 0.000 0.446 582 N N -1.048 117.685 118.700 0.054 0.000 2.171 582 N HA -0.103 4.642 4.740 0.008 0.000 0.184 582 N C 1.629 177.162 175.510 0.039 0.000 1.021 582 N CA 1.637 54.703 53.050 0.028 0.000 0.854 582 N CB -0.430 38.069 38.487 0.020 0.000 0.994 582 N HN 0.458 nan 8.380 nan 0.000 0.426 583 M N 0.976 120.631 119.600 0.091 0.000 2.144 583 M HA -0.087 4.398 4.480 0.008 0.000 0.260 583 M C 1.756 178.083 176.300 0.045 0.000 1.067 583 M CA 1.058 56.419 55.300 0.101 0.000 1.095 583 M CB -0.493 32.217 32.600 0.184 0.000 1.365 583 M HN 0.111 nan 8.290 nan 0.000 0.406 584 L N -0.355 120.893 121.223 0.043 0.000 2.056 584 L HA -0.099 4.246 4.340 0.008 0.000 0.207 584 L C 2.050 178.890 176.870 -0.050 0.000 1.078 584 L CA 1.781 56.626 54.840 0.008 0.000 0.749 584 L CB -0.839 41.242 42.059 0.036 0.000 0.901 584 L HN 0.427 nan 8.230 nan 0.000 0.433 585 L N -0.661 120.517 121.223 -0.075 0.000 2.042 585 L HA -0.228 4.117 4.340 0.008 0.000 0.210 585 L C 2.642 179.413 176.870 -0.165 0.000 1.076 585 L CA 1.349 56.074 54.840 -0.192 0.000 0.749 585 L CB -0.938 40.999 42.059 -0.203 0.000 0.893 585 L HN 0.386 nan 8.230 nan 0.000 0.432 586 A N 0.146 122.910 122.820 -0.092 0.000 1.898 586 A HA -0.143 4.182 4.320 0.008 0.000 0.216 586 A C 2.195 179.710 177.584 -0.115 0.000 1.181 586 A CA 1.383 53.377 52.037 -0.071 0.000 0.620 586 A CB -0.588 18.401 19.000 -0.019 0.000 0.819 586 A HN 0.351 nan 8.150 nan 0.000 0.442 587 I N -0.220 120.254 120.570 -0.160 0.000 2.226 587 I HA -0.258 3.917 4.170 0.008 0.000 0.245 587 I C 2.975 178.911 176.117 -0.302 0.000 1.100 587 I CA 1.034 62.137 61.300 -0.329 0.000 1.374 587 I CB -0.399 37.397 38.000 -0.341 0.000 1.057 587 I HN 0.349 nan 8.210 nan 0.000 0.413 588 A N 0.442 123.140 122.820 -0.204 0.000 1.902 588 A HA -0.277 4.048 4.320 0.008 0.000 0.217 588 A C 2.328 179.853 177.584 -0.097 0.000 1.181 588 A CA 2.033 53.922 52.037 -0.247 0.000 0.623 588 A CB -0.691 18.289 19.000 -0.034 0.000 0.818 588 A HN 0.510 nan 8.150 nan 0.000 0.443 589 E N -0.189 120.066 120.200 0.091 0.000 2.051 589 E HA -0.258 4.097 4.350 0.008 0.000 0.192 589 E C 2.109 178.780 176.600 0.118 0.000 0.991 589 E CA 1.606 58.141 56.400 0.224 0.000 0.799 589 E CB -0.163 29.609 29.700 0.121 0.000 0.748 589 E HN 0.609 nan 8.360 nan 0.000 0.449 590 K N -0.054 120.347 120.400 0.002 0.000 2.026 590 K HA -0.163 4.162 4.320 0.008 0.000 0.208 590 K C 2.196 178.804 176.600 0.013 0.000 1.048 590 K CA 1.697 57.980 56.287 -0.006 0.000 0.929 590 K CB -0.215 32.231 32.500 -0.090 0.000 0.713 590 K HN 0.267 nan 8.250 nan 0.000 0.439 591 C N 0.224 119.479 119.300 -0.076 0.000 2.446 591 C HA -0.080 4.385 4.460 0.008 0.000 0.277 591 C C 2.429 177.498 174.990 0.130 0.000 1.275 591 C CA 0.293 59.303 59.018 -0.014 0.000 1.727 591 C CB -1.000 26.655 27.740 -0.143 0.000 2.010 591 C HN 0.502 nan 8.230 nan 0.000 0.486 592 Y N 1.544 121.939 120.300 0.158 0.000 2.403 592 Y HA -0.092 4.462 4.550 0.008 0.000 0.291 592 Y C 2.297 178.301 175.900 0.173 0.000 1.143 592 Y CA 0.996 59.212 58.100 0.192 0.000 1.257 592 Y CB -0.724 37.832 38.460 0.160 0.000 0.984 592 Y HN 0.432 nan 8.280 nan 0.000 0.550 593 K N 0.053 120.617 120.400 0.273 0.000 2.314 593 K HA 0.028 4.353 4.320 0.008 0.000 0.198 593 K C 1.169 177.883 176.600 0.190 0.000 1.045 593 K CA 0.557 56.969 56.287 0.208 0.000 0.988 593 K CB 0.024 32.617 32.500 0.154 0.000 0.783 593 K HN 0.190 nan 8.250 nan 0.000 0.484 594 S N 0.986 116.795 115.700 0.183 0.000 2.589 594 S HA 0.136 4.611 4.470 0.008 0.000 0.265 594 S C 0.256 174.956 174.600 0.167 0.000 1.342 594 S CA -0.464 57.831 58.200 0.159 0.000 1.005 594 S CB 0.914 64.207 63.200 0.156 0.000 0.909 594 S HN 0.230 nan 8.310 nan 0.000 0.555 595 T N -1.403 113.235 114.554 0.140 0.000 2.883 595 T HA 0.570 4.925 4.350 0.008 0.000 0.296 595 T C -0.456 174.314 174.700 0.117 0.000 1.117 595 T CA -0.982 61.193 62.100 0.125 0.000 1.006 595 T CB 0.826 69.755 68.868 0.102 0.000 1.191 595 T HN 0.623 nan 8.240 nan 0.000 0.508 596 N N 0.321 119.088 118.700 0.111 0.000 2.725 596 N HA -0.145 4.599 4.740 0.008 0.000 0.249 596 N C -0.690 174.886 175.510 0.110 0.000 1.103 596 N CA 1.066 54.175 53.050 0.098 0.000 0.707 596 N CB -1.133 37.395 38.487 0.068 0.000 1.043 596 N HN 0.781 nan 8.380 nan 0.000 0.553 597 K N -0.362 120.125 120.400 0.145 0.000 2.395 597 K HA 0.665 4.990 4.320 0.008 0.000 0.245 597 K C -0.127 176.592 176.600 0.198 0.000 1.017 597 K CA -0.781 55.598 56.287 0.153 0.000 0.852 597 K CB 1.720 34.315 32.500 0.158 0.000 1.311 597 K HN -0.061 nan 8.250 nan 0.000 0.452 598 I N 2.044 122.722 120.570 0.181 0.000 2.362 598 I HA 0.222 4.397 4.170 0.008 0.000 0.289 598 I C -0.889 175.313 176.117 0.141 0.000 0.994 598 I CA -0.685 60.729 61.300 0.189 0.000 1.158 598 I CB 1.178 39.292 38.000 0.190 0.000 1.315 598 I HN 0.369 nan 8.210 nan 0.000 0.451 599 N N 5.909 124.699 118.700 0.151 0.000 2.417 599 N HA 0.539 5.284 4.740 0.008 0.000 0.274 599 N C -0.721 174.845 175.510 0.093 0.000 0.987 599 N CA -0.440 52.707 53.050 0.161 0.000 0.912 599 N CB 2.306 40.932 38.487 0.231 0.000 1.177 599 N HN 0.574 nan 8.380 nan 0.000 0.490 600 A N 3.165 126.002 122.820 0.028 0.000 2.260 600 A HA 0.587 4.912 4.320 0.008 0.000 0.314 600 A C 0.037 177.609 177.584 -0.020 0.000 1.257 600 A CA -0.538 51.472 52.037 -0.044 0.000 0.871 600 A CB 0.019 18.958 19.000 -0.102 0.000 1.166 600 A HN 0.684 nan 8.150 nan 0.000 0.522 601 I N 4.340 124.895 120.570 -0.026 0.000 2.428 601 I HA 0.236 4.411 4.170 0.008 0.000 0.279 601 I C -0.665 175.409 176.117 -0.072 0.000 1.040 601 I CA -0.115 61.181 61.300 -0.007 0.000 1.171 601 I CB 0.907 38.897 38.000 -0.017 0.000 1.312 601 I HN 0.522 nan 8.210 nan 0.000 0.470 602 I N 5.894 126.374 120.570 -0.149 0.000 2.379 602 I HA 0.507 4.682 4.170 0.008 0.000 0.290 602 I C 0.451 176.554 176.117 -0.024 0.000 1.063 602 I CA 0.212 61.428 61.300 -0.140 0.000 1.351 602 I CB 0.786 38.588 38.000 -0.330 0.000 1.410 602 I HN 0.609 nan 8.210 nan 0.000 0.505 603 A N 4.759 127.623 122.820 0.073 0.000 2.549 603 A HA 0.777 5.101 4.320 0.008 0.000 0.297 603 A C -0.296 177.425 177.584 0.229 0.000 1.061 603 A CA -0.574 51.548 52.037 0.142 0.000 0.690 603 A CB 1.316 20.370 19.000 0.090 0.000 1.287 603 A HN 0.712 nan 8.150 nan 0.000 0.402 604 G N 0.062 109.022 108.800 0.267 0.000 2.395 604 G HA2 0.467 4.432 3.960 0.008 0.000 0.283 604 G HA3 0.467 4.432 3.960 0.008 0.000 0.283 604 G C 0.472 175.413 174.900 0.069 0.000 1.178 604 G CA -0.108 45.117 45.100 0.209 0.000 0.837 604 G HN 0.972 nan 8.290 nan 0.000 0.518 605 K N 0.561 120.943 120.400 -0.030 0.000 2.374 605 K HA 0.094 4.419 4.320 0.008 0.000 0.196 605 K C 0.805 177.404 176.600 -0.002 0.000 1.023 605 K CA -0.261 56.024 56.287 -0.002 0.000 1.103 605 K CB 0.249 32.747 32.500 -0.003 0.000 0.848 605 K HN 0.529 nan 8.250 nan 0.000 0.528 606 Q N 1.650 121.446 119.800 -0.008 0.000 2.317 606 Q HA 0.314 4.659 4.340 0.008 0.000 0.229 606 Q C -2.641 173.376 176.000 0.029 0.000 0.984 606 Q CA -2.364 53.447 55.803 0.013 0.000 0.911 606 Q CB 0.165 28.918 28.738 0.025 0.000 1.217 606 Q HN -0.156 nan 8.270 nan 0.000 0.501 607 P HA 0.203 nan 4.420 nan 0.000 0.264 607 P C -1.335 175.964 177.300 -0.001 0.000 1.193 607 P CA 0.565 63.657 63.100 -0.014 0.000 0.763 607 P CB 0.564 32.250 31.700 -0.024 0.000 0.810 608 A N 2.594 125.388 122.820 -0.043 0.000 2.610 608 A HA 0.744 5.069 4.320 0.008 0.000 0.291 608 A C -0.918 176.565 177.584 -0.170 0.000 1.086 608 A CA -0.551 51.470 52.037 -0.026 0.000 0.677 608 A CB 0.990 20.040 19.000 0.083 0.000 1.278 608 A HN 0.487 nan 8.150 nan 0.000 0.414 609 A N 0.204 122.884 122.820 -0.233 0.000 2.425 609 A HA 0.591 4.916 4.320 0.008 0.000 0.242 609 A C 0.363 177.585 177.584 -0.605 0.000 1.077 609 A CA 0.452 52.145 52.037 -0.574 0.000 0.781 609 A CB -0.290 18.132 19.000 -0.964 0.000 1.020 609 A HN 1.004 nan 8.150 nan 0.000 0.494 610 T N 1.564 115.783 114.554 -0.558 0.000 2.749 610 T HA 0.327 4.682 4.350 0.008 0.000 0.287 610 T C 0.205 174.594 174.700 -0.519 0.000 0.970 610 T CA -0.057 61.832 62.100 -0.352 0.000 0.980 610 T CB 0.547 69.408 68.868 -0.011 0.000 0.924 610 T HN 0.738 nan 8.240 nan 0.000 0.456 611 W N 2.092 123.421 121.300 0.049 0.000 2.644 611 W HA 0.385 5.050 4.660 0.008 0.000 0.279 611 W C 0.341 176.774 176.519 -0.143 0.000 1.164 611 W CA -0.472 56.846 57.345 -0.046 0.000 1.457 611 W CB 0.272 29.739 29.460 0.011 0.000 1.087 611 W HN 0.336 nan 8.180 nan 0.000 0.573 612 L N 0.909 122.193 121.223 0.102 0.000 2.330 612 L HA 0.476 4.820 4.340 0.008 0.000 0.271 612 L C 0.765 177.618 176.870 -0.030 0.000 1.013 612 L CA -0.985 53.865 54.840 0.017 0.000 0.816 612 L CB 1.435 43.551 42.059 0.095 0.000 1.287 612 L HN -0.204 nan 8.230 nan 0.000 0.435 613 T N -1.538 112.972 114.554 -0.074 0.000 2.828 613 T HA 0.157 4.512 4.350 0.008 0.000 0.290 613 T C 0.942 175.626 174.700 -0.028 0.000 1.019 613 T CA -0.639 61.410 62.100 -0.086 0.000 1.031 613 T CB 1.140 69.941 68.868 -0.112 0.000 1.001 613 T HN 0.449 nan 8.240 nan 0.000 0.531 614 L N 0.932 122.136 121.223 -0.033 0.000 1.989 614 L HA -0.061 4.284 4.340 0.008 0.000 0.211 614 L C 2.051 178.921 176.870 0.000 0.000 1.071 614 L CA 2.049 56.880 54.840 -0.015 0.000 0.749 614 L CB -1.287 40.752 42.059 -0.032 0.000 0.890 614 L HN 0.752 nan 8.230 nan 0.000 0.431 615 D N -0.190 120.205 120.400 -0.009 0.000 2.126 615 D HA -0.243 4.402 4.640 0.008 0.000 0.190 615 D C 2.117 178.438 176.300 0.034 0.000 1.001 615 D CA 1.865 55.869 54.000 0.007 0.000 0.841 615 D CB -0.165 40.632 40.800 -0.005 0.000 0.949 615 D HN 0.536 nan 8.370 nan 0.000 0.446 616 E N 0.193 120.416 120.200 0.038 0.000 2.110 616 E HA -0.110 4.245 4.350 0.008 0.000 0.193 616 E C 2.060 178.729 176.600 0.114 0.000 0.988 616 E CA 1.000 57.448 56.400 0.080 0.000 0.804 616 E CB -0.050 29.697 29.700 0.077 0.000 0.745 616 E HN 0.249 nan 8.360 nan 0.000 0.458 617 A N 1.293 124.171 122.820 0.097 0.000 1.898 617 A HA -0.146 4.179 4.320 0.008 0.000 0.216 617 A C 2.039 179.684 177.584 0.101 0.000 1.181 617 A CA 1.082 53.194 52.037 0.126 0.000 0.620 617 A CB -0.279 18.784 19.000 0.105 0.000 0.819 617 A HN 0.053 nan 8.150 nan 0.000 0.442 618 R N -0.446 120.092 120.500 0.064 0.000 2.096 618 R HA -0.100 4.245 4.340 0.008 0.000 0.235 618 R C 2.465 178.804 176.300 0.065 0.000 1.127 618 R CA 1.205 57.334 56.100 0.049 0.000 0.968 618 R CB -0.444 29.873 30.300 0.030 0.000 0.861 618 R HN 0.524 nan 8.270 nan 0.000 0.440 619 A N 1.105 123.970 122.820 0.075 0.000 1.855 619 A HA -0.227 4.098 4.320 0.008 0.000 0.215 619 A C 2.040 179.685 177.584 0.102 0.000 1.191 619 A CA 1.481 53.567 52.037 0.082 0.000 0.613 619 A CB -0.534 18.515 19.000 0.081 0.000 0.829 619 A HN 0.402 nan 8.150 nan 0.000 0.442 620 E N -0.700 119.582 120.200 0.137 0.000 2.086 620 E HA -0.259 4.095 4.350 0.008 0.000 0.200 620 E C 1.867 178.549 176.600 0.138 0.000 1.012 620 E CA 1.643 58.139 56.400 0.160 0.000 0.812 620 E CB -0.233 29.611 29.700 0.240 0.000 0.743 620 E HN 0.405 nan 8.360 nan 0.000 0.453 621 L N 1.668 122.969 121.223 0.130 0.000 2.131 621 L HA -0.171 4.174 4.340 0.008 0.000 0.210 621 L C 2.215 179.156 176.870 0.117 0.000 1.092 621 L CA 1.976 56.893 54.840 0.128 0.000 0.759 621 L CB -0.569 41.539 42.059 0.082 0.000 0.903 621 L HN 0.240 nan 8.230 nan 0.000 0.435 622 E N -0.594 119.662 120.200 0.092 0.000 2.070 622 E HA -0.312 4.043 4.350 0.008 0.000 0.197 622 E C 1.927 178.578 176.600 0.084 0.000 1.004 622 E CA 1.771 58.218 56.400 0.079 0.000 0.805 622 E CB 0.077 29.815 29.700 0.065 0.000 0.744 622 E HN 0.401 nan 8.360 nan 0.000 0.451 623 K N -1.960 118.492 120.400 0.087 0.000 2.242 623 K HA 0.107 4.432 4.320 0.008 0.000 0.200 623 K C 1.106 177.771 176.600 0.109 0.000 1.050 623 K CA 0.800 57.139 56.287 0.086 0.000 0.981 623 K CB 0.827 33.369 32.500 0.071 0.000 0.795 623 K HN 0.327 nan 8.250 nan 0.000 0.477 624 G N -1.046 107.829 108.800 0.124 0.000 2.253 624 G HA2 -0.093 3.872 3.960 0.008 0.000 0.209 624 G HA3 -0.093 3.872 3.960 0.008 0.000 0.209 624 G C -0.072 174.918 174.900 0.149 0.000 0.997 624 G CA -0.164 45.033 45.100 0.161 0.000 0.640 624 G HN 0.519 nan 8.290 nan 0.000 0.496 625 A N -0.785 122.090 122.820 0.092 0.000 2.572 625 A HA 1.120 5.445 4.320 0.008 0.000 0.295 625 A C -0.375 177.177 177.584 -0.052 0.000 1.072 625 A CA 0.218 52.264 52.037 0.015 0.000 0.691 625 A CB 1.406 20.411 19.000 0.009 0.000 1.291 625 A HN 2.197 nan 8.150 nan 0.000 0.404 626 A N -0.004 122.732 122.820 -0.139 0.000 2.589 626 A HA 0.872 5.197 4.320 0.008 0.000 0.296 626 A C -0.109 177.331 177.584 -0.241 0.000 1.062 626 A CA 0.038 52.015 52.037 -0.100 0.000 0.686 626 A CB 0.775 19.837 19.000 0.104 0.000 1.282 626 A HN 2.560 nan 8.150 nan 0.000 0.404 627 A N 0.501 123.201 122.820 -0.201 0.000 2.366 627 A HA 0.541 4.866 4.320 0.008 0.000 0.249 627 A C -0.942 176.640 177.584 -0.003 0.000 1.084 627 A CA 0.076 51.985 52.037 -0.214 0.000 0.794 627 A CB 0.023 18.915 19.000 -0.180 0.000 1.034 627 A HN 0.947 nan 8.150 nan 0.000 0.491 628 W N 1.419 122.451 121.300 -0.447 0.000 2.453 628 W HA 0.334 4.999 4.660 0.008 0.000 0.298 628 W C -0.241 175.799 176.519 -0.799 0.000 0.983 628 W CA -1.181 55.696 57.345 -0.780 0.000 1.600 628 W CB 0.676 29.489 29.460 -1.078 0.000 1.430 628 W HN 0.835 nan 8.180 nan 0.000 0.422 629 D N 0.751 120.975 120.400 -0.294 0.000 2.123 629 D HA -0.224 4.421 4.640 0.008 0.000 0.196 629 D C 2.220 178.443 176.300 -0.128 0.000 0.992 629 D CA 1.647 55.554 54.000 -0.154 0.000 0.833 629 D CB -0.342 40.444 40.800 -0.023 0.000 0.954 629 D HN 0.554 nan 8.370 nan 0.000 0.455 630 W N 0.824 122.127 121.300 0.005 0.000 2.468 630 W HA 0.093 4.757 4.660 0.008 0.000 0.262 630 W C 1.336 177.897 176.519 0.070 0.000 1.241 630 W CA 0.810 58.158 57.345 0.005 0.000 1.232 630 W CB -0.647 28.769 29.460 -0.072 0.000 1.124 630 W HN -0.055 nan 8.180 nan 0.000 0.597 631 A N 0.666 123.226 122.820 -0.434 0.000 2.303 631 A HA 0.235 4.560 4.320 0.008 0.000 0.217 631 A C 0.881 178.480 177.584 0.025 0.000 1.205 631 A CA 0.015 51.961 52.037 -0.151 0.000 0.875 631 A CB -0.395 18.291 19.000 -0.522 0.000 0.910 631 A HN 0.055 nan 8.150 nan 0.000 0.501 632 S N 0.153 115.793 115.700 -0.100 0.000 2.541 632 S HA 0.355 4.830 4.470 0.008 0.000 0.283 632 S C 1.323 175.733 174.600 -0.315 0.000 1.196 632 S CA 0.141 58.244 58.200 -0.162 0.000 1.062 632 S CB 1.537 64.644 63.200 -0.154 0.000 1.009 632 S HN 0.529 nan 8.310 nan 0.000 0.502 633 T N -0.718 113.396 114.554 -0.733 0.000 3.054 633 T HA 0.258 4.613 4.350 0.008 0.000 0.259 633 T C 0.773 175.256 174.700 -0.361 0.000 1.092 633 T CA 0.232 62.000 62.100 -0.554 0.000 1.121 633 T CB -0.107 68.314 68.868 -0.745 0.000 0.912 633 T HN 0.666 nan 8.240 nan 0.000 0.489 634 A N 1.334 123.943 122.820 -0.351 0.000 2.409 634 A HA 0.453 4.778 4.320 0.008 0.000 0.262 634 A C 1.173 178.677 177.584 -0.134 0.000 1.113 634 A CA -0.515 51.407 52.037 -0.193 0.000 0.790 634 A CB 0.372 19.286 19.000 -0.144 0.000 1.046 634 A HN 0.373 nan 8.150 nan 0.000 0.496 635 K N 0.941 121.284 120.400 -0.094 0.000 2.296 635 K HA -0.037 4.288 4.320 0.008 0.000 0.200 635 K C 0.616 177.184 176.600 -0.053 0.000 1.048 635 K CA 1.375 57.623 56.287 -0.066 0.000 0.966 635 K CB -0.024 32.446 32.500 -0.049 0.000 0.754 635 K HN 0.959 nan 8.250 nan 0.000 0.466 636 N N -2.453 116.215 118.700 -0.053 0.000 3.308 636 N HA 0.078 4.823 4.740 0.008 0.000 0.276 636 N C -0.533 174.952 175.510 -0.043 0.000 1.533 636 N CA -0.728 52.296 53.050 -0.043 0.000 0.878 636 N CB 0.362 38.833 38.487 -0.028 0.000 1.566 636 N HN -0.329 nan 8.380 nan 0.000 0.546 637 N N 0.508 119.188 118.700 -0.033 0.000 2.166 637 N HA -0.093 4.652 4.740 0.008 0.000 0.186 637 N C 0.600 176.101 175.510 -0.016 0.000 1.019 637 N CA 1.206 54.240 53.050 -0.026 0.000 0.856 637 N CB -0.357 38.122 38.487 -0.014 0.000 0.993 637 N HN 0.463 nan 8.380 nan 0.000 0.426 638 D N 0.350 120.743 120.400 -0.012 0.000 2.224 638 D HA -0.125 4.520 4.640 0.008 0.000 0.205 638 D C 1.531 177.825 176.300 -0.010 0.000 0.965 638 D CA 0.589 54.585 54.000 -0.006 0.000 0.852 638 D CB 0.135 40.933 40.800 -0.004 0.000 0.947 638 D HN 0.559 nan 8.370 nan 0.000 0.494 639 E N 0.454 120.642 120.200 -0.020 0.000 2.442 639 E HA 0.111 4.466 4.350 0.008 0.000 0.195 639 E C 0.280 176.864 176.600 -0.028 0.000 1.030 639 E CA -0.181 56.204 56.400 -0.024 0.000 0.869 639 E CB 0.284 29.963 29.700 -0.034 0.000 0.857 639 E HN -0.017 nan 8.360 nan 0.000 0.505 640 A N 1.447 124.251 122.820 -0.027 0.000 2.492 640 A HA 0.048 4.373 4.320 0.008 0.000 0.254 640 A C 0.480 178.068 177.584 0.007 0.000 1.091 640 A CA -0.144 51.883 52.037 -0.017 0.000 0.768 640 A CB 0.347 19.335 19.000 -0.020 0.000 1.028 640 A HN 0.389 nan 8.150 nan 0.000 0.498 641 E N 1.218 121.435 120.200 0.029 0.000 2.318 641 E HA 0.168 4.523 4.350 0.008 0.000 0.193 641 E C 0.030 176.650 176.600 0.032 0.000 0.998 641 E CA 0.661 57.085 56.400 0.040 0.000 0.859 641 E CB 0.483 30.224 29.700 0.067 0.000 0.812 641 E HN 0.421 nan 8.360 nan 0.000 0.492 642 V N 0.575 120.512 119.914 0.038 0.000 3.077 642 V HA 0.201 4.326 4.120 0.008 0.000 0.299 642 V C -1.533 174.554 176.094 -0.011 0.000 1.276 642 V CA -0.918 61.380 62.300 -0.003 0.000 0.993 642 V CB 2.342 34.148 31.823 -0.029 0.000 1.076 642 V HN -0.185 nan 8.190 nan 0.000 0.434 643 V N 6.561 126.431 119.914 -0.073 0.000 2.407 643 V HA 0.483 4.608 4.120 0.008 0.000 0.278 643 V C -0.087 175.898 176.094 -0.181 0.000 1.037 643 V CA -0.449 61.784 62.300 -0.112 0.000 0.900 643 V CB 1.332 33.083 31.823 -0.121 0.000 0.983 643 V HN 0.652 nan 8.190 nan 0.000 0.459 644 L N 5.111 126.195 121.223 -0.231 0.000 2.264 644 L HA 0.753 5.098 4.340 0.008 0.000 0.287 644 L C 0.340 176.968 176.870 -0.402 0.000 1.039 644 L CA -0.134 54.508 54.840 -0.330 0.000 0.829 644 L CB 1.040 42.846 42.059 -0.422 0.000 1.211 644 L HN 0.751 nan 8.230 nan 0.000 0.427 645 A N 3.267 125.826 122.820 -0.436 0.000 2.355 645 A HA 0.977 5.302 4.320 0.008 0.000 0.324 645 A C -0.573 176.515 177.584 -0.827 0.000 1.117 645 A CA -0.395 51.254 52.037 -0.647 0.000 0.785 645 A CB 1.762 20.400 19.000 -0.605 0.000 1.254 645 A HN 0.729 nan 8.150 nan 0.000 0.453 646 A N 0.185 122.491 122.820 -0.857 0.000 2.549 646 A HA 0.868 5.193 4.320 0.008 0.000 0.297 646 A C -0.606 176.676 177.584 -0.503 0.000 1.061 646 A CA 0.074 51.721 52.037 -0.651 0.000 0.690 646 A CB 1.436 20.118 19.000 -0.530 0.000 1.287 646 A HN 2.458 nan 8.150 nan 0.000 0.402 647 A N 0.764 123.411 122.820 -0.289 0.000 2.385 647 A HA 0.923 5.248 4.320 0.008 0.000 0.290 647 A C 0.144 177.493 177.584 -0.391 0.000 1.094 647 A CA 0.115 51.997 52.037 -0.258 0.000 0.729 647 A CB 0.749 19.666 19.000 -0.137 0.000 1.194 647 A HN 2.850 nan 8.150 nan 0.000 0.442 648 G N 2.715 111.395 108.800 -0.200 0.000 2.697 648 G HA2 0.174 4.139 3.960 0.008 0.000 0.684 648 G HA3 0.174 4.139 3.960 0.008 0.000 0.684 648 G C 0.026 174.933 174.900 0.011 0.000 1.274 648 G CA 0.136 45.189 45.100 -0.077 0.000 0.806 648 G HN 1.082 nan 8.290 nan 0.000 0.644 649 D N 0.382 120.848 120.400 0.110 0.000 2.123 649 D HA -0.155 4.490 4.640 0.008 0.000 0.196 649 D C 2.347 178.745 176.300 0.163 0.000 0.992 649 D CA 1.978 56.101 54.000 0.205 0.000 0.833 649 D CB -0.194 40.775 40.800 0.280 0.000 0.954 649 D HN 0.421 nan 8.370 nan 0.000 0.455 650 V N 1.556 121.513 119.914 0.072 0.000 2.346 650 V HA -0.090 4.035 4.120 0.008 0.000 0.244 650 V C -0.518 175.434 176.094 -0.236 0.000 1.037 650 V CA 1.324 63.596 62.300 -0.046 0.000 1.029 650 V CB -1.213 30.553 31.823 -0.094 0.000 0.663 650 V HN 0.129 nan 8.190 nan 0.000 0.454 651 P HA -0.132 nan 4.420 nan 0.000 0.216 651 P C 1.788 178.910 177.300 -0.297 0.000 1.150 651 P CA 1.727 64.613 63.100 -0.356 0.000 0.843 651 P CB -0.147 31.371 31.700 -0.303 0.000 0.787 652 T N -0.995 113.419 114.554 -0.235 0.000 2.821 652 T HA -0.187 4.168 4.350 0.008 0.000 0.267 652 T C 1.868 176.377 174.700 -0.318 0.000 1.046 652 T CA 1.231 63.133 62.100 -0.330 0.000 1.139 652 T CB -0.567 68.144 68.868 -0.261 0.000 0.871 652 T HN 0.276 nan 8.240 nan 0.000 0.454 653 Q N 0.497 120.267 119.800 -0.050 0.000 2.061 653 Q HA -0.183 4.162 4.340 0.008 0.000 0.204 653 Q C 2.090 178.021 176.000 -0.116 0.000 0.984 653 Q CA 1.348 57.240 55.803 0.149 0.000 0.846 653 Q CB 0.046 28.917 28.738 0.222 0.000 0.902 653 Q HN 0.325 nan 8.270 nan 0.000 0.421 654 E N 0.522 120.590 120.200 -0.220 0.000 2.072 654 E HA -0.131 4.224 4.350 0.008 0.000 0.191 654 E C 2.110 178.474 176.600 -0.393 0.000 0.985 654 E CA 0.642 56.849 56.400 -0.322 0.000 0.801 654 E CB -0.202 29.329 29.700 -0.281 0.000 0.750 654 E HN 0.419 nan 8.360 nan 0.000 0.452 655 I N 0.997 121.336 120.570 -0.385 0.000 2.163 655 I HA -0.248 3.927 4.170 0.008 0.000 0.243 655 I C 2.226 178.088 176.117 -0.425 0.000 1.085 655 I CA 1.103 62.150 61.300 -0.421 0.000 1.347 655 I CB -0.743 36.986 38.000 -0.452 0.000 1.044 655 I HN 0.150 nan 8.210 nan 0.000 0.408 656 M N 0.381 119.727 119.600 -0.423 0.000 2.149 656 M HA -0.171 4.314 4.480 0.008 0.000 0.261 656 M C 2.445 178.655 176.300 -0.150 0.000 1.064 656 M CA 1.918 57.031 55.300 -0.312 0.000 1.102 656 M CB -1.523 30.747 32.600 -0.549 0.000 1.369 656 M HN 0.254 nan 8.290 nan 0.000 0.408 657 A N -0.218 122.270 122.820 -0.554 0.000 1.929 657 A HA 0.153 4.478 4.320 0.008 0.000 0.216 657 A C 2.426 179.646 177.584 -0.607 0.000 1.176 657 A CA 1.619 53.020 52.037 -1.061 0.000 0.628 657 A CB -0.756 17.229 19.000 -1.691 0.000 0.816 657 A HN 0.457 nan 8.150 nan 0.000 0.444 658 A N 0.513 123.029 122.820 -0.506 0.000 1.933 658 A HA -0.100 4.225 4.320 0.008 0.000 0.218 658 A C 2.516 179.869 177.584 -0.385 0.000 1.175 658 A CA 2.274 54.059 52.037 -0.420 0.000 0.628 658 A CB -0.975 17.779 19.000 -0.410 0.000 0.814 658 A HN 0.996 nan 8.150 nan 0.000 0.444 659 S N 0.064 115.526 115.700 -0.396 0.000 2.382 659 S HA -0.217 4.258 4.470 0.008 0.000 0.228 659 S C 1.513 176.085 174.600 -0.047 0.000 1.027 659 S CA 1.628 59.547 58.200 -0.469 0.000 0.991 659 S CB -0.529 62.445 63.200 -0.376 0.000 0.823 659 S HN 0.485 nan 8.310 nan 0.000 0.469 660 D N 1.721 122.181 120.400 0.101 0.000 2.117 660 D HA -0.007 4.638 4.640 0.008 0.000 0.197 660 D C 2.085 178.430 176.300 0.075 0.000 0.987 660 D CA 1.144 55.259 54.000 0.192 0.000 0.829 660 D CB -0.216 40.788 40.800 0.341 0.000 0.961 660 D HN 0.565 nan 8.370 nan 0.000 0.460 661 K N 0.118 120.491 120.400 -0.045 0.000 2.057 661 K HA -0.064 4.261 4.320 0.008 0.000 0.207 661 K C 2.325 178.895 176.600 -0.049 0.000 1.049 661 K CA 0.625 56.872 56.287 -0.067 0.000 0.931 661 K CB -0.118 32.301 32.500 -0.135 0.000 0.714 661 K HN 0.150 nan 8.250 nan 0.000 0.440 662 L N 1.232 122.403 121.223 -0.088 0.000 2.027 662 L HA -0.176 4.169 4.340 0.008 0.000 0.206 662 L C 2.619 179.600 176.870 0.185 0.000 1.074 662 L CA 1.249 56.069 54.840 -0.034 0.000 0.745 662 L CB -0.425 41.508 42.059 -0.209 0.000 0.898 662 L HN 0.151 nan 8.230 nan 0.000 0.433 663 K N 0.443 121.040 120.400 0.329 0.000 2.044 663 K HA -0.249 4.076 4.320 0.008 0.000 0.210 663 K C 1.985 178.660 176.600 0.124 0.000 1.049 663 K CA 1.768 58.212 56.287 0.260 0.000 0.927 663 K CB -0.040 32.611 32.500 0.252 0.000 0.713 663 K HN 0.328 nan 8.250 nan 0.000 0.443 664 E N 0.186 120.440 120.200 0.090 0.000 2.153 664 E HA -0.170 4.185 4.350 0.008 0.000 0.194 664 E C 1.683 178.314 176.600 0.052 0.000 0.988 664 E CA 0.938 57.372 56.400 0.056 0.000 0.811 664 E CB 0.005 29.726 29.700 0.036 0.000 0.746 664 E HN 0.389 nan 8.360 nan 0.000 0.466 665 L N -0.312 120.943 121.223 0.054 0.000 2.591 665 L HA 0.132 4.477 4.340 0.008 0.000 0.228 665 L C 1.201 178.130 176.870 0.099 0.000 1.133 665 L CA 0.240 55.120 54.840 0.068 0.000 0.880 665 L CB 0.006 42.078 42.059 0.023 0.000 1.033 665 L HN 0.194 nan 8.230 nan 0.000 0.450 666 G N 0.571 109.422 108.800 0.085 0.000 2.176 666 G HA2 -0.244 3.721 3.960 0.008 0.000 0.252 666 G HA3 -0.244 3.721 3.960 0.008 0.000 0.252 666 G C 0.173 175.124 174.900 0.086 0.000 1.024 666 G CA 0.100 45.244 45.100 0.073 0.000 0.755 666 G HN 0.128 nan 8.290 nan 0.000 0.507 667 V N -0.301 119.688 119.914 0.124 0.000 2.686 667 V HA 0.458 4.583 4.120 0.008 0.000 0.295 667 V C 0.715 176.855 176.094 0.076 0.000 1.055 667 V CA -0.192 62.199 62.300 0.151 0.000 1.050 667 V CB 1.594 33.528 31.823 0.183 0.000 0.984 667 V HN 0.269 nan 8.190 nan 0.000 0.482 668 K N 4.835 125.249 120.400 0.023 0.000 2.234 668 K HA 0.649 4.974 4.320 0.008 0.000 0.277 668 K C -0.773 175.795 176.600 -0.054 0.000 1.038 668 K CA -0.039 56.171 56.287 -0.128 0.000 0.888 668 K CB 0.651 33.107 32.500 -0.073 0.000 1.091 668 K HN 0.516 nan 8.250 nan 0.000 0.467 669 F N -0.460 119.455 119.950 -0.058 0.000 2.686 669 F HA 0.587 5.119 4.527 0.009 0.000 0.311 669 F C -1.010 174.726 175.800 -0.107 0.000 1.128 669 F CA -1.339 56.609 58.000 -0.087 0.000 0.946 669 F CB 1.309 40.246 39.000 -0.104 0.000 1.336 669 F HN 0.177 nan 8.300 nan 0.000 0.457 670 K N 1.622 122.125 120.400 0.170 0.000 2.270 670 K HA 0.774 5.098 4.320 0.008 0.000 0.255 670 K C -1.997 174.599 176.600 -0.006 0.000 0.936 670 K CA -0.780 55.516 56.287 0.016 0.000 0.809 670 K CB 2.191 34.644 32.500 -0.078 0.000 1.131 670 K HN 0.710 nan 8.250 nan 0.000 0.427 671 V N 4.218 124.073 119.914 -0.099 0.000 2.472 671 V HA 0.429 4.554 4.120 0.008 0.000 0.290 671 V C -0.542 175.275 176.094 -0.463 0.000 1.037 671 V CA -0.753 61.383 62.300 -0.274 0.000 0.908 671 V CB 1.612 33.281 31.823 -0.256 0.000 0.985 671 V HN 0.559 nan 8.190 nan 0.000 0.454 672 V N 3.966 123.508 119.914 -0.621 0.000 2.823 672 V HA 0.531 4.656 4.120 0.008 0.000 0.312 672 V C -0.563 174.947 176.094 -0.973 0.000 1.072 672 V CA -0.810 61.043 62.300 -0.746 0.000 0.937 672 V CB 2.349 33.765 31.823 -0.678 0.000 1.013 672 V HN 0.944 nan 8.190 nan 0.000 0.430 673 N N 1.796 119.861 118.700 -1.058 0.000 2.284 673 N HA 0.680 5.425 4.740 0.008 0.000 0.300 673 N C -1.442 173.839 175.510 -0.382 0.000 1.047 673 N CA -0.319 52.195 53.050 -0.895 0.000 0.821 673 N CB 2.062 39.832 38.487 -1.195 0.000 1.337 673 N HN 0.386 nan 8.380 nan 0.000 0.482 674 V N 2.466 122.256 119.914 -0.205 0.000 2.448 674 V HA 0.675 4.800 4.120 0.008 0.000 0.295 674 V C 0.582 176.784 176.094 0.179 0.000 1.025 674 V CA -0.425 61.908 62.300 0.054 0.000 0.859 674 V CB 0.988 32.937 31.823 0.210 0.000 0.988 674 V HN 0.930 nan 8.190 nan 0.000 0.431 675 A N 3.154 126.126 122.820 0.253 0.000 2.127 675 A HA 0.282 4.607 4.320 0.008 0.000 0.204 675 A C 0.636 178.468 177.584 0.415 0.000 1.243 675 A CA 0.350 52.596 52.037 0.348 0.000 0.887 675 A CB 0.205 19.374 19.000 0.281 0.000 0.933 675 A HN 0.708 nan 8.150 nan 0.000 0.479 676 D N -0.010 120.595 120.400 0.342 0.000 2.462 676 D HA 0.311 4.956 4.640 0.008 0.000 0.245 676 D C 0.680 177.110 176.300 0.216 0.000 1.122 676 D CA -0.585 53.568 54.000 0.255 0.000 0.864 676 D CB 1.219 42.182 40.800 0.273 0.000 1.098 676 D HN -0.039 nan 8.370 nan 0.000 0.541 677 L N 4.439 125.794 121.223 0.220 0.000 2.081 677 L HA -0.077 4.268 4.340 0.008 0.000 0.212 677 L C 1.618 178.576 176.870 0.146 0.000 1.080 677 L CA 1.778 56.790 54.840 0.287 0.000 0.754 677 L CB -0.342 41.926 42.059 0.349 0.000 0.893 677 L HN 0.629 nan 8.230 nan 0.000 0.433 678 L N -0.740 120.519 121.223 0.059 0.000 2.552 678 L HA -0.052 4.293 4.340 0.008 0.000 0.227 678 L C 2.419 179.338 176.870 0.081 0.000 1.146 678 L CA 0.792 55.655 54.840 0.039 0.000 0.858 678 L CB -0.741 41.314 42.059 -0.006 0.000 0.969 678 L HN 0.453 nan 8.230 nan 0.000 0.451 679 S N 0.089 115.864 115.700 0.124 0.000 2.442 679 S HA -0.118 4.357 4.470 0.008 0.000 0.236 679 S C 1.715 176.444 174.600 0.215 0.000 1.007 679 S CA 0.817 59.113 58.200 0.160 0.000 0.965 679 S CB -0.358 62.949 63.200 0.178 0.000 0.773 679 S HN 0.491 nan 8.310 nan 0.000 0.504 680 L N 0.501 121.850 121.223 0.209 0.000 2.509 680 L HA 0.216 4.561 4.340 0.008 0.000 0.222 680 L C 1.528 178.464 176.870 0.109 0.000 1.123 680 L CA -0.020 54.980 54.840 0.268 0.000 0.856 680 L CB -0.442 41.720 42.059 0.172 0.000 0.985 680 L HN 0.424 nan 8.230 nan 0.000 0.456 681 Q N 1.182 121.014 119.800 0.054 0.000 2.386 681 Q HA -0.041 4.304 4.340 0.008 0.000 0.282 681 Q C 0.491 176.462 176.000 -0.048 0.000 1.050 681 Q CA 0.042 55.836 55.803 -0.015 0.000 0.918 681 Q CB 0.792 29.523 28.738 -0.013 0.000 1.266 681 Q HN 0.128 nan 8.270 nan 0.000 0.423 682 S N 2.251 117.897 115.700 -0.090 0.000 2.673 682 S HA -0.033 4.442 4.470 0.008 0.000 0.308 682 S C 0.993 175.552 174.600 -0.069 0.000 1.246 682 S CA 0.330 58.447 58.200 -0.138 0.000 1.077 682 S CB 0.365 63.497 63.200 -0.114 0.000 0.814 682 S HN 0.706 nan 8.310 nan 0.000 0.503 683 A N 5.662 128.435 122.820 -0.079 0.000 2.019 683 A HA -0.109 4.216 4.320 0.008 0.000 0.219 683 A C 2.124 179.698 177.584 -0.016 0.000 1.164 683 A CA 1.624 53.646 52.037 -0.024 0.000 0.644 683 A CB -0.481 18.508 19.000 -0.019 0.000 0.805 683 A HN 0.993 nan 8.150 nan 0.000 0.449 684 K N -0.158 120.219 120.400 -0.038 0.000 2.366 684 K HA -0.049 4.276 4.320 0.008 0.000 0.198 684 K C 1.090 177.696 176.600 0.010 0.000 1.044 684 K CA 1.460 57.739 56.287 -0.014 0.000 0.973 684 K CB -0.134 32.353 32.500 -0.021 0.000 0.767 684 K HN 0.566 nan 8.250 nan 0.000 0.475 685 E N 0.521 120.731 120.200 0.016 0.000 2.250 685 E HA 0.003 4.358 4.350 0.008 0.000 0.192 685 E C 0.033 176.653 176.600 0.033 0.000 0.986 685 E CA 0.130 56.553 56.400 0.038 0.000 0.849 685 E CB 0.210 29.938 29.700 0.046 0.000 0.797 685 E HN 0.158 nan 8.360 nan 0.000 0.482 686 N N 1.231 119.957 118.700 0.042 0.000 2.576 686 N HA -0.011 4.734 4.740 0.008 0.000 0.269 686 N C -0.825 174.752 175.510 0.111 0.000 1.058 686 N CA -0.287 52.820 53.050 0.094 0.000 0.860 686 N CB 1.192 39.730 38.487 0.084 0.000 1.249 686 N HN -0.081 nan 8.380 nan 0.000 0.525 687 D N 1.813 122.303 120.400 0.150 0.000 2.363 687 D HA -0.041 4.604 4.640 0.008 0.000 0.226 687 D C 0.245 176.595 176.300 0.083 0.000 1.020 687 D CA 0.833 54.897 54.000 0.106 0.000 0.892 687 D CB 0.238 41.099 40.800 0.102 0.000 0.900 687 D HN 0.637 nan 8.370 nan 0.000 0.531 688 E N -0.400 119.844 120.200 0.073 0.000 2.489 688 E HA 0.313 4.667 4.350 0.008 0.000 0.204 688 E C 0.615 177.237 176.600 0.036 0.000 1.006 688 E CA -0.207 56.187 56.400 -0.009 0.000 0.936 688 E CB 0.755 30.358 29.700 -0.162 0.000 1.002 688 E HN 0.312 nan 8.360 nan 0.000 0.488 689 A N 1.091 123.951 122.820 0.067 0.000 2.327 689 A HA 0.287 4.612 4.320 0.008 0.000 0.255 689 A C 0.155 177.803 177.584 0.107 0.000 1.099 689 A CA -0.426 51.666 52.037 0.091 0.000 0.801 689 A CB 0.170 19.221 19.000 0.086 0.000 1.062 689 A HN 0.172 nan 8.150 nan 0.000 0.496 690 L N 1.204 122.523 121.223 0.160 0.000 2.525 690 L HA 0.121 4.466 4.340 0.008 0.000 0.278 690 L C 1.369 178.337 176.870 0.163 0.000 1.218 690 L CA -0.044 54.908 54.840 0.188 0.000 0.878 690 L CB -0.200 42.038 42.059 0.298 0.000 1.127 690 L HN 0.915 nan 8.230 nan 0.000 0.492 691 T N -1.886 112.744 114.554 0.127 0.000 2.856 691 T HA 0.011 4.366 4.350 0.008 0.000 0.306 691 T C 0.840 175.612 174.700 0.121 0.000 1.062 691 T CA -0.795 61.360 62.100 0.091 0.000 1.083 691 T CB 0.836 69.747 68.868 0.071 0.000 0.984 691 T HN 0.527 nan 8.240 nan 0.000 0.542 692 D N 0.527 120.960 120.400 0.056 0.000 2.190 692 D HA -0.108 4.537 4.640 0.008 0.000 0.200 692 D C 1.957 178.335 176.300 0.129 0.000 0.992 692 D CA 1.346 55.373 54.000 0.045 0.000 0.854 692 D CB -0.040 40.743 40.800 -0.028 0.000 0.936 692 D HN 0.764 nan 8.370 nan 0.000 0.462 693 E N 0.312 120.575 120.200 0.105 0.000 2.072 693 E HA -0.142 4.213 4.350 0.008 0.000 0.191 693 E C 1.985 178.666 176.600 0.135 0.000 0.985 693 E CA 0.693 57.157 56.400 0.107 0.000 0.801 693 E CB 0.025 29.767 29.700 0.070 0.000 0.750 693 E HN 0.411 nan 8.360 nan 0.000 0.452 694 E N 0.084 120.369 120.200 0.141 0.000 2.106 694 E HA -0.165 4.190 4.350 0.008 0.000 0.192 694 E C 1.804 178.518 176.600 0.191 0.000 0.984 694 E CA 0.671 57.149 56.400 0.130 0.000 0.806 694 E CB -0.144 29.624 29.700 0.113 0.000 0.750 694 E HN 0.198 nan 8.360 nan 0.000 0.458 695 F N 1.330 121.354 119.950 0.123 0.000 2.134 695 F HA -0.190 4.342 4.527 0.008 0.000 0.299 695 F C 2.254 178.218 175.800 0.274 0.000 1.097 695 F CA 1.328 59.473 58.000 0.242 0.000 1.264 695 F CB -0.033 39.100 39.000 0.220 0.000 1.001 695 F HN -0.031 nan 8.300 nan 0.000 0.479 696 A N -0.541 122.586 122.820 0.513 0.000 1.969 696 A HA -0.224 4.101 4.320 0.008 0.000 0.218 696 A C 1.792 179.487 177.584 0.184 0.000 1.169 696 A CA 1.943 54.196 52.037 0.359 0.000 0.635 696 A CB -1.017 18.124 19.000 0.235 0.000 0.810 696 A HN 0.504 nan 8.150 nan 0.000 0.445 697 D N -0.192 120.278 120.400 0.117 0.000 2.144 697 D HA -0.084 4.560 4.640 0.008 0.000 0.200 697 D C 1.720 177.982 176.300 -0.064 0.000 0.978 697 D CA 1.215 55.233 54.000 0.029 0.000 0.833 697 D CB -0.155 40.657 40.800 0.021 0.000 0.961 697 D HN 0.489 nan 8.370 nan 0.000 0.470 698 I N -0.860 119.616 120.570 -0.157 0.000 2.193 698 I HA -0.174 4.000 4.170 0.008 0.000 0.240 698 I C 1.311 177.120 176.117 -0.513 0.000 1.084 698 I CA 0.723 61.761 61.300 -0.436 0.000 1.365 698 I CB -0.170 37.413 38.000 -0.696 0.000 1.064 698 I HN -0.038 nan 8.210 nan 0.000 0.410 699 F N 1.046 120.911 119.950 -0.141 0.000 2.765 699 F HA 0.093 4.625 4.527 0.008 0.000 0.302 699 F C 1.085 176.865 175.800 -0.034 0.000 1.111 699 F CA 0.383 58.314 58.000 -0.116 0.000 1.359 699 F CB -0.647 38.312 39.000 -0.069 0.000 1.097 699 F HN 0.133 nan 8.300 nan 0.000 0.577 700 T N -2.288 112.332 114.554 0.111 0.000 0.541 700 T HA -0.232 4.123 4.350 0.008 0.000 0.774 700 T C 0.751 175.551 174.700 0.167 0.000 0.992 700 T CA -0.266 61.895 62.100 0.102 0.000 4.077 700 T CB -0.766 68.132 68.868 0.050 0.000 2.303 700 T HN 0.438 nan 8.240 nan 0.000 0.398 701 A N 2.458 125.352 122.820 0.122 0.000 2.067 701 A HA 0.241 4.566 4.320 0.008 0.000 0.219 701 A C 1.574 179.218 177.584 0.100 0.000 1.158 701 A CA 1.916 54.025 52.037 0.120 0.000 0.661 701 A CB -0.548 18.499 19.000 0.078 0.000 0.801 701 A HN 1.647 nan 8.150 nan 0.000 0.452 702 D N -3.428 117.019 120.400 0.078 0.000 2.601 702 D HA 0.068 4.712 4.640 0.008 0.000 0.350 702 D C -0.266 176.054 176.300 0.034 0.000 1.386 702 D CA -0.380 53.650 54.000 0.051 0.000 0.929 702 D CB -0.376 40.445 40.800 0.034 0.000 1.456 702 D HN -0.049 nan 8.370 nan 0.000 0.430 703 K N 1.481 121.899 120.400 0.030 0.000 2.154 703 K HA 0.479 4.804 4.320 0.008 0.000 0.264 703 K C -2.543 174.048 176.600 -0.016 0.000 1.008 703 K CA -2.246 54.045 56.287 0.007 0.000 0.937 703 K CB 0.009 32.508 32.500 -0.001 0.000 1.002 703 K HN 0.046 nan 8.250 nan 0.000 0.469 704 P HA 0.080 nan 4.420 nan 0.000 0.268 704 P C -0.697 176.535 177.300 -0.113 0.000 1.204 704 P CA -0.263 62.808 63.100 -0.048 0.000 0.768 704 P CB 0.509 32.194 31.700 -0.024 0.000 0.842 705 V N 4.855 124.646 119.914 -0.204 0.000 2.407 705 V HA 0.241 4.366 4.120 0.008 0.000 0.291 705 V C -0.111 175.849 176.094 -0.223 0.000 1.018 705 V CA -0.659 61.430 62.300 -0.351 0.000 0.842 705 V CB 1.424 32.690 31.823 -0.927 0.000 0.996 705 V HN 0.366 nan 8.190 nan 0.000 0.426 706 L N 6.095 127.228 121.223 -0.151 0.000 2.255 706 L HA 0.560 4.905 4.340 0.008 0.000 0.289 706 L C -0.962 175.881 176.870 -0.046 0.000 1.046 706 L CA 0.152 54.948 54.840 -0.073 0.000 0.816 706 L CB 0.537 42.515 42.059 -0.136 0.000 1.197 706 L HN 0.558 nan 8.230 nan 0.000 0.427 707 F N 5.137 125.056 119.950 -0.053 0.000 2.403 707 F HA 0.696 5.228 4.527 0.008 0.000 0.355 707 F C 0.138 175.958 175.800 0.035 0.000 1.119 707 F CA -0.738 57.256 58.000 -0.010 0.000 1.007 707 F CB 1.168 40.225 39.000 0.095 0.000 1.194 707 F HN 0.637 nan 8.300 nan 0.000 0.443 708 A N 6.250 129.110 122.820 0.068 0.000 2.260 708 A HA 0.373 4.698 4.320 0.008 0.000 0.312 708 A C -1.824 175.867 177.584 0.178 0.000 1.321 708 A CA -0.310 51.772 52.037 0.075 0.000 0.928 708 A CB -0.083 18.818 19.000 -0.166 0.000 1.158 708 A HN 0.716 nan 8.150 nan 0.000 0.542 709 Y N 1.822 122.223 120.300 0.168 0.000 2.377 709 Y HA 0.388 4.943 4.550 0.008 0.000 0.339 709 Y C 1.161 177.121 175.900 0.100 0.000 1.011 709 Y CA -0.799 57.395 58.100 0.156 0.000 1.093 709 Y CB 1.168 39.739 38.460 0.186 0.000 1.201 709 Y HN 0.884 nan 8.280 nan 0.000 0.455 710 H N 1.862 120.538 119.070 -0.657 0.000 2.352 710 H HA -0.019 4.542 4.556 0.008 0.000 0.299 710 H C 1.018 176.221 175.328 -0.209 0.000 1.097 710 H CA 2.048 57.902 56.048 -0.323 0.000 1.311 710 H CB 0.410 29.942 29.762 -0.385 0.000 1.377 710 H HN 0.532 nan 8.280 nan 0.000 0.504 711 S N -2.014 113.152 115.700 -0.891 0.000 3.124 711 S HA 0.264 4.738 4.470 0.008 0.000 0.234 711 S C -0.965 173.583 174.600 -0.086 0.000 1.045 711 S CA -0.780 57.133 58.200 -0.479 0.000 1.200 711 S CB -0.127 62.992 63.200 -0.134 0.000 1.186 711 S HN 0.246 nan 8.310 nan 0.000 0.617 712 Y N 1.494 122.024 120.300 0.383 0.000 2.359 712 Y HA 0.429 4.983 4.550 0.007 0.000 0.334 712 Y C 1.428 177.615 175.900 0.478 0.000 1.058 712 Y CA 0.019 58.357 58.100 0.397 0.000 1.244 712 Y CB 0.639 39.267 38.460 0.280 0.000 1.187 712 Y HN 0.725 nan 8.280 nan 0.000 0.510 713 A N 2.675 125.781 122.820 0.475 0.000 1.958 713 A HA -0.300 4.025 4.320 0.008 0.000 0.221 713 A C 2.173 179.827 177.584 0.117 0.000 1.178 713 A CA 2.166 54.354 52.037 0.252 0.000 0.642 713 A CB -0.945 18.148 19.000 0.155 0.000 0.816 713 A HN 0.995 nan 8.150 nan 0.000 0.453 714 H N 0.197 119.334 119.070 0.111 0.000 2.426 714 H HA -0.176 4.386 4.556 0.010 0.000 0.298 714 H C 1.339 176.652 175.328 -0.025 0.000 1.107 714 H CA 1.985 58.050 56.048 0.029 0.000 1.298 714 H CB -0.168 29.621 29.762 0.045 0.000 1.377 714 H HN 0.458 nan 8.280 nan 0.000 0.519 715 D N 0.154 120.622 120.400 0.114 0.000 2.092 715 D HA -0.137 4.508 4.640 0.008 0.000 0.193 715 D C 2.541 178.665 176.300 -0.294 0.000 0.994 715 D CA 1.417 55.409 54.000 -0.013 0.000 0.828 715 D CB -0.392 40.486 40.800 0.130 0.000 0.963 715 D HN 0.264 nan 8.370 nan 0.000 0.450 716 V N 0.781 120.374 119.914 -0.535 0.000 2.358 716 V HA -0.184 3.941 4.120 0.008 0.000 0.246 716 V C 2.465 178.273 176.094 -0.476 0.000 1.047 716 V CA 1.447 63.360 62.300 -0.644 0.000 1.035 716 V CB -0.402 30.842 31.823 -0.965 0.000 0.658 716 V HN 0.091 nan 8.190 nan 0.000 0.452 717 R N 0.433 120.701 120.500 -0.388 0.000 2.091 717 R HA -0.114 4.231 4.340 0.008 0.000 0.238 717 R C 2.451 178.556 176.300 -0.325 0.000 1.136 717 R CA 1.575 57.479 56.100 -0.326 0.000 0.959 717 R CB -0.825 29.326 30.300 -0.249 0.000 0.856 717 R HN 0.585 nan 8.270 nan 0.000 0.437 718 G N 0.492 109.060 108.800 -0.387 0.000 2.443 718 G HA2 -0.190 3.775 3.960 0.008 0.000 0.219 718 G HA3 -0.190 3.775 3.960 0.008 0.000 0.219 718 G C 1.213 175.998 174.900 -0.192 0.000 1.131 718 G CA 0.148 45.044 45.100 -0.339 0.000 0.775 718 G HN 0.071 nan 8.290 nan 0.000 0.547 719 L N 1.112 122.212 121.223 -0.205 0.000 2.131 719 L HA 0.266 4.611 4.340 0.008 0.000 0.206 719 L C 2.447 179.224 176.870 -0.154 0.000 1.087 719 L CA 0.973 55.726 54.840 -0.145 0.000 0.767 719 L CB -0.267 41.679 42.059 -0.189 0.000 0.917 719 L HN 0.494 nan 8.230 nan 0.000 0.441 720 I N -3.764 116.631 120.570 -0.292 0.000 3.904 720 I HA -0.001 4.174 4.170 0.008 0.000 0.333 720 I C 2.033 177.821 176.117 -0.548 0.000 1.361 720 I CA -0.165 60.856 61.300 -0.464 0.000 1.116 720 I CB -0.748 36.869 38.000 -0.639 0.000 1.028 720 I HN 0.256 nan 8.210 nan 0.000 0.398 721 Y N 2.210 122.189 120.300 -0.534 0.000 2.365 721 Y HA -0.216 4.339 4.550 0.009 0.000 0.287 721 Y C 1.375 176.765 175.900 -0.850 0.000 1.162 721 Y CA 1.489 59.184 58.100 -0.674 0.000 1.260 721 Y CB -0.762 37.452 38.460 -0.410 0.000 0.976 721 Y HN 0.480 nan 8.280 nan 0.000 0.548 722 D N -1.227 118.351 120.400 -1.370 0.000 2.501 722 D HA 0.116 4.761 4.640 0.008 0.000 0.224 722 D C 0.022 175.940 176.300 -0.637 0.000 1.202 722 D CA -0.332 53.056 54.000 -1.020 0.000 0.829 722 D CB -0.092 40.077 40.800 -1.051 0.000 1.023 722 D HN 0.048 nan 8.370 nan 0.000 0.499 723 R N 1.401 121.511 120.500 -0.651 0.000 2.459 723 R HA 0.402 4.747 4.340 0.008 0.000 0.281 723 R C -2.432 173.710 176.300 -0.262 0.000 1.050 723 R CA -2.069 53.640 56.100 -0.651 0.000 1.055 723 R CB -0.003 29.526 30.300 -1.284 0.000 1.045 723 R HN 0.106 nan 8.270 nan 0.000 0.495 724 P HA -0.023 nan 4.420 nan 0.000 0.266 724 P C 0.190 177.575 177.300 0.142 0.000 1.195 724 P CA 0.208 63.316 63.100 0.013 0.000 0.768 724 P CB 0.367 32.112 31.700 0.076 0.000 0.838 725 N N 0.671 119.439 118.700 0.112 0.000 2.863 725 N HA -0.234 4.511 4.740 0.008 0.000 0.245 725 N C 1.192 176.845 175.510 0.238 0.000 1.001 725 N CA 1.446 54.599 53.050 0.172 0.000 0.901 725 N CB -1.928 36.738 38.487 0.299 0.000 1.124 725 N HN 0.746 nan 8.380 nan 0.000 0.582 726 H N -1.633 117.482 119.070 0.076 0.000 2.422 726 H HA -0.044 4.517 4.556 0.008 0.000 0.298 726 H C 0.768 176.147 175.328 0.084 0.000 1.098 726 H CA 1.409 57.415 56.048 -0.069 0.000 1.315 726 H CB -0.139 29.439 29.762 -0.307 0.000 1.382 726 H HN 0.256 nan 8.280 nan 0.000 0.523 727 D N 0.985 121.133 120.400 -0.420 0.000 2.310 727 D HA -0.083 4.562 4.640 0.008 0.000 0.212 727 D C 1.092 177.401 176.300 0.016 0.000 0.965 727 D CA 0.432 54.314 54.000 -0.197 0.000 0.879 727 D CB -0.174 40.454 40.800 -0.288 0.000 0.921 727 D HN 0.369 nan 8.370 nan 0.000 0.510 728 N N -0.331 118.428 118.700 0.099 0.000 2.336 728 N HA 0.022 4.767 4.740 0.008 0.000 0.189 728 N C -0.219 175.372 175.510 0.136 0.000 1.113 728 N CA -0.080 53.029 53.050 0.099 0.000 0.858 728 N CB 0.056 38.574 38.487 0.053 0.000 0.970 728 N HN 0.140 nan 8.380 nan 0.000 0.471 729 F N 0.973 120.927 119.950 0.006 0.000 2.443 729 F HA 0.152 4.684 4.527 0.008 0.000 0.353 729 F C 1.034 176.850 175.800 0.026 0.000 1.101 729 F CA -0.631 57.381 58.000 0.019 0.000 1.226 729 F CB 0.579 39.560 39.000 -0.031 0.000 1.140 729 F HN -0.125 nan 8.300 nan 0.000 0.557 730 N N 3.636 122.442 118.700 0.177 0.000 2.564 730 N HA 0.248 4.993 4.740 0.008 0.000 0.248 730 N C -1.555 174.100 175.510 0.242 0.000 0.986 730 N CA -0.322 52.829 53.050 0.168 0.000 0.921 730 N CB 0.989 39.563 38.487 0.146 0.000 1.136 730 N HN 0.251 nan 8.380 nan 0.000 0.509 731 V N 4.676 124.686 119.914 0.160 0.000 2.383 731 V HA 0.282 4.407 4.120 0.008 0.000 0.275 731 V C 0.323 176.477 176.094 0.099 0.000 1.036 731 V CA -0.567 61.832 62.300 0.164 0.000 0.889 731 V CB 0.451 32.273 31.823 -0.002 0.000 0.985 731 V HN 0.585 nan 8.190 nan 0.000 0.459 732 H N 2.657 121.820 119.070 0.154 0.000 2.499 732 H HA 0.772 5.333 4.556 0.008 0.000 0.340 732 H C 0.290 175.736 175.328 0.196 0.000 1.148 732 H CA 0.178 56.303 56.048 0.127 0.000 1.215 732 H CB 2.495 32.294 29.762 0.061 0.000 1.529 732 H HN 0.846 nan 8.280 nan 0.000 0.510 733 G N 0.800 109.763 108.800 0.272 0.000 2.619 733 G HA2 0.136 4.100 3.960 0.008 0.000 0.305 733 G HA3 0.136 4.100 3.960 0.008 0.000 0.305 733 G C -1.866 173.257 174.900 0.372 0.000 1.330 733 G CA -0.733 44.572 45.100 0.342 0.000 0.789 733 G HN 0.468 nan 8.290 nan 0.000 0.487 734 Y N 0.479 120.903 120.300 0.207 0.000 2.497 734 Y HA 0.430 4.983 4.550 0.006 0.000 0.334 734 Y C 0.903 176.824 175.900 0.034 0.000 1.199 734 Y CA 0.700 58.797 58.100 -0.004 0.000 1.425 734 Y CB 1.035 39.145 38.460 -0.583 0.000 1.291 734 Y HN 0.474 nan 8.280 nan 0.000 0.562 735 E N 3.572 123.344 120.200 -0.713 0.000 3.105 735 E HA 0.074 4.429 4.350 0.008 0.000 0.198 735 E C -0.742 175.602 176.600 -0.426 0.000 0.976 735 E CA -0.025 56.178 56.400 -0.327 0.000 1.219 735 E CB 0.269 29.880 29.700 -0.148 0.000 1.081 735 E HN 0.646 nan 8.360 nan 0.000 0.464 736 E N 1.319 121.043 120.200 -0.793 0.000 2.297 736 E HA -0.193 4.162 4.350 0.008 0.000 0.228 736 E C -0.672 175.948 176.600 0.034 0.000 1.213 736 E CA 1.038 57.343 56.400 -0.159 0.000 0.712 736 E CB -0.990 28.799 29.700 0.147 0.000 1.202 736 E HN 0.397 nan 8.360 nan 0.000 0.376 737 E N -0.468 119.629 120.200 -0.171 0.000 2.293 737 E HA 0.776 5.131 4.350 0.008 0.000 0.270 737 E C 0.497 177.166 176.600 0.116 0.000 0.879 737 E CA -0.105 56.264 56.400 -0.052 0.000 0.756 737 E CB 2.284 31.911 29.700 -0.122 0.000 1.208 737 E HN 0.279 nan 8.360 nan 0.000 0.428 738 G N 0.505 109.321 108.800 0.026 0.000 2.352 738 G HA2 0.398 4.363 3.960 0.008 0.000 0.302 738 G HA3 0.398 4.363 3.960 0.008 0.000 0.302 738 G C -0.855 174.072 174.900 0.045 0.000 1.370 738 G CA 0.056 45.218 45.100 0.103 0.000 0.918 738 G HN 0.746 nan 8.290 nan 0.000 0.610 739 S N -2.306 113.440 115.700 0.076 0.000 3.047 739 S HA 0.685 5.160 4.470 0.008 0.000 0.308 739 S C -0.531 174.114 174.600 0.076 0.000 1.245 739 S CA 0.023 58.270 58.200 0.080 0.000 1.109 739 S CB 0.788 63.991 63.200 0.005 0.000 1.417 739 S HN 1.362 nan 8.310 nan 0.000 0.555 740 T N 2.618 117.208 114.554 0.060 0.000 2.738 740 T HA 0.651 5.006 4.350 0.008 0.000 0.294 740 T C -0.279 174.452 174.700 0.051 0.000 0.914 740 T CA 0.081 62.207 62.100 0.043 0.000 1.052 740 T CB -0.496 68.395 68.868 0.039 0.000 0.897 740 T HN 0.798 nan 8.240 nan 0.000 0.522 741 T N -0.183 114.403 114.554 0.053 0.000 2.637 741 T HA 0.557 4.912 4.350 0.008 0.000 0.303 741 T C 0.143 174.889 174.700 0.078 0.000 1.288 741 T CA -1.127 61.020 62.100 0.078 0.000 1.040 741 T CB 0.700 69.628 68.868 0.100 0.000 1.644 741 T HN 0.525 nan 8.240 nan 0.000 0.480 742 T N -0.610 114.007 114.554 0.106 0.000 2.882 742 T HA 0.413 4.768 4.350 0.008 0.000 0.287 742 T C -1.967 172.801 174.700 0.113 0.000 1.014 742 T CA -1.455 60.716 62.100 0.119 0.000 1.049 742 T CB 0.410 69.370 68.868 0.153 0.000 1.001 742 T HN 0.210 nan 8.240 nan 0.000 0.525 743 P HA -0.145 nan 4.420 nan 0.000 0.215 743 P C 1.258 178.621 177.300 0.106 0.000 1.157 743 P CA 1.207 64.422 63.100 0.192 0.000 0.874 743 P CB -0.239 31.645 31.700 0.306 0.000 0.790 744 Y N 0.813 120.948 120.300 -0.275 0.000 2.128 744 Y HA -0.280 4.276 4.550 0.009 0.000 0.284 744 Y C 2.188 178.011 175.900 -0.129 0.000 1.154 744 Y CA 1.943 59.690 58.100 -0.589 0.000 1.149 744 Y CB -0.907 36.964 38.460 -0.981 0.000 0.976 744 Y HN -0.123 nan 8.280 nan 0.000 0.505 745 D N -0.189 120.031 120.400 -0.300 0.000 2.149 745 D HA -0.212 4.433 4.640 0.008 0.000 0.198 745 D C 2.029 178.225 176.300 -0.174 0.000 0.990 745 D CA 1.510 55.340 54.000 -0.283 0.000 0.839 745 D CB -0.129 40.705 40.800 0.057 0.000 0.948 745 D HN 0.312 nan 8.370 nan 0.000 0.460 746 M N 0.025 119.620 119.600 -0.007 0.000 2.117 746 M HA -0.110 4.375 4.480 0.008 0.000 0.262 746 M C 2.377 178.830 176.300 0.254 0.000 1.065 746 M CA 0.955 56.346 55.300 0.152 0.000 1.114 746 M CB -0.904 31.847 32.600 0.250 0.000 1.361 746 M HN 0.147 nan 8.290 nan 0.000 0.408 747 V N -2.274 117.721 119.914 0.136 0.000 2.488 747 V HA -0.125 3.999 4.120 0.008 0.000 0.246 747 V C 2.416 178.476 176.094 -0.056 0.000 1.046 747 V CA 1.512 63.855 62.300 0.071 0.000 1.053 747 V CB -1.048 30.762 31.823 -0.022 0.000 0.679 747 V HN 0.372 nan 8.190 nan 0.000 0.458 748 R N 0.327 120.649 120.500 -0.296 0.000 2.080 748 R HA -0.138 4.207 4.340 0.008 0.000 0.236 748 R C 2.338 178.537 176.300 -0.168 0.000 1.137 748 R CA 2.140 58.046 56.100 -0.324 0.000 0.943 748 R CB -0.572 29.300 30.300 -0.714 0.000 0.846 748 R HN 0.441 nan 8.270 nan 0.000 0.431 749 V N 1.633 121.446 119.914 -0.169 0.000 2.913 749 V HA -0.096 4.029 4.120 0.008 0.000 0.260 749 V C 0.840 176.905 176.094 -0.049 0.000 1.098 749 V CA 1.557 63.774 62.300 -0.138 0.000 1.121 749 V CB -0.362 31.358 31.823 -0.172 0.000 0.714 749 V HN 0.404 nan 8.190 nan 0.000 0.487 750 N N 0.516 119.244 118.700 0.047 0.000 2.270 750 N HA 0.173 4.918 4.740 0.008 0.000 0.198 750 N C 0.235 175.818 175.510 0.121 0.000 1.117 750 N CA -0.047 53.065 53.050 0.104 0.000 0.845 750 N CB 0.237 38.922 38.487 0.331 0.000 0.980 750 N HN 0.455 nan 8.380 nan 0.000 0.486 751 R N 0.141 120.685 120.500 0.073 0.000 3.532 751 R HA -0.141 4.204 4.340 0.008 0.000 0.284 751 R C 0.301 176.673 176.300 0.120 0.000 1.140 751 R CA 0.401 56.566 56.100 0.109 0.000 0.768 751 R CB -2.010 28.393 30.300 0.171 0.000 1.252 751 R HN 0.297 nan 8.270 nan 0.000 0.454 752 I N 0.531 121.110 120.570 0.014 0.000 4.160 752 I HA 0.040 4.215 4.170 0.008 0.000 0.325 752 I C 0.435 176.455 176.117 -0.162 0.000 1.455 752 I CA -0.384 60.856 61.300 -0.100 0.000 1.142 752 I CB 0.240 38.153 38.000 -0.145 0.000 1.262 752 I HN 0.173 nan 8.210 nan 0.000 0.483 753 D N 1.349 121.705 120.400 -0.074 0.000 2.357 753 D HA -0.031 4.614 4.640 0.008 0.000 0.242 753 D C 1.309 177.527 176.300 -0.135 0.000 1.153 753 D CA -0.449 53.541 54.000 -0.016 0.000 0.918 753 D CB 0.686 41.602 40.800 0.193 0.000 1.181 753 D HN 0.314 nan 8.370 nan 0.000 0.435 754 R N 0.661 120.994 120.500 -0.277 0.000 2.119 754 R HA -0.281 4.064 4.340 0.008 0.000 0.246 754 R C 1.644 177.662 176.300 -0.470 0.000 1.146 754 R CA 1.603 57.403 56.100 -0.501 0.000 0.962 754 R CB -1.212 28.646 30.300 -0.736 0.000 0.863 754 R HN 0.527 nan 8.270 nan 0.000 0.442 755 Y N 1.161 121.464 120.300 0.004 0.000 2.181 755 Y HA -0.121 4.434 4.550 0.008 0.000 0.288 755 Y C 2.607 178.488 175.900 -0.032 0.000 1.146 755 Y CA 1.464 59.567 58.100 0.004 0.000 1.164 755 Y CB -0.679 37.858 38.460 0.129 0.000 0.982 755 Y HN 0.213 nan 8.280 nan 0.000 0.515 756 E N 0.687 120.952 120.200 0.108 0.000 2.106 756 E HA -0.123 4.232 4.350 0.008 0.000 0.192 756 E C 1.939 178.465 176.600 -0.124 0.000 0.984 756 E CA 1.041 57.446 56.400 0.009 0.000 0.806 756 E CB -0.476 29.229 29.700 0.009 0.000 0.750 756 E HN 0.463 nan 8.360 nan 0.000 0.458 757 L N -0.097 121.004 121.223 -0.203 0.000 2.017 757 L HA -0.188 4.157 4.340 0.008 0.000 0.208 757 L C 2.460 179.182 176.870 -0.248 0.000 1.073 757 L CA 1.755 56.421 54.840 -0.289 0.000 0.745 757 L CB -0.932 40.930 42.059 -0.328 0.000 0.894 757 L HN 0.204 nan 8.230 nan 0.000 0.432 758 T N 0.169 114.590 114.554 -0.222 0.000 2.635 758 T HA -0.276 4.079 4.350 0.008 0.000 0.267 758 T C 2.006 176.607 174.700 -0.164 0.000 1.040 758 T CA 1.650 63.627 62.100 -0.205 0.000 1.156 758 T CB -0.383 68.388 68.868 -0.162 0.000 0.863 758 T HN 0.477 nan 8.240 nan 0.000 0.430 759 A N 1.642 124.403 122.820 -0.098 0.000 1.883 759 A HA -0.181 4.144 4.320 0.008 0.000 0.217 759 A C 2.336 179.874 177.584 -0.077 0.000 1.186 759 A CA 1.571 53.568 52.037 -0.065 0.000 0.624 759 A CB -0.498 18.497 19.000 -0.008 0.000 0.822 759 A HN 0.388 nan 8.150 nan 0.000 0.444 760 E N -0.313 119.827 120.200 -0.101 0.000 2.077 760 E HA -0.123 4.232 4.350 0.008 0.000 0.193 760 E C 2.383 178.929 176.600 -0.090 0.000 0.989 760 E CA 1.173 57.524 56.400 -0.082 0.000 0.800 760 E CB -0.498 29.119 29.700 -0.138 0.000 0.746 760 E HN 0.582 nan 8.360 nan 0.000 0.452 761 A N 1.180 123.913 122.820 -0.146 0.000 1.902 761 A HA -0.131 4.194 4.320 0.008 0.000 0.217 761 A C 2.357 179.865 177.584 -0.127 0.000 1.181 761 A CA 1.010 52.958 52.037 -0.149 0.000 0.623 761 A CB -0.640 18.231 19.000 -0.214 0.000 0.818 761 A HN 0.167 nan 8.150 nan 0.000 0.443 762 L N -1.304 119.817 121.223 -0.170 0.000 2.093 762 L HA -0.143 4.202 4.340 0.008 0.000 0.208 762 L C 2.832 179.702 176.870 -0.001 0.000 1.085 762 L CA 1.222 55.940 54.840 -0.205 0.000 0.755 762 L CB -0.476 41.367 42.059 -0.360 0.000 0.904 762 L HN 0.346 nan 8.230 nan 0.000 0.435 763 R N -0.258 120.243 120.500 0.002 0.000 2.092 763 R HA -0.099 4.246 4.340 0.008 0.000 0.231 763 R C 2.293 178.618 176.300 0.042 0.000 1.119 763 R CA 1.303 57.428 56.100 0.041 0.000 0.970 763 R CB -0.263 30.055 30.300 0.030 0.000 0.864 763 R HN 0.321 nan 8.270 nan 0.000 0.440 764 M N -0.125 119.487 119.600 0.020 0.000 2.229 764 M HA -0.113 4.372 4.480 0.008 0.000 0.264 764 M C 1.973 178.293 176.300 0.034 0.000 1.063 764 M CA 1.493 56.804 55.300 0.020 0.000 1.114 764 M CB -0.025 32.574 32.600 -0.003 0.000 1.387 764 M HN 0.128 nan 8.290 nan 0.000 0.420 765 I N -1.204 119.399 120.570 0.055 0.000 2.270 765 I HA -0.066 4.109 4.170 0.008 0.000 0.239 765 I C 0.293 176.485 176.117 0.125 0.000 1.080 765 I CA 0.779 62.137 61.300 0.096 0.000 1.383 765 I CB 0.360 38.442 38.000 0.137 0.000 1.097 765 I HN 0.135 nan 8.210 nan 0.000 0.420 766 D N -0.550 119.961 120.400 0.185 0.000 2.349 766 D HA 0.247 4.892 4.640 0.008 0.000 0.224 766 D C 0.315 176.715 176.300 0.168 0.000 1.323 766 D CA 0.056 54.138 54.000 0.136 0.000 0.917 766 D CB 1.054 41.894 40.800 0.066 0.000 1.524 766 D HN 0.127 nan 8.370 nan 0.000 0.505 767 A N 2.778 125.662 122.820 0.107 0.000 1.858 767 A HA -0.165 4.159 4.320 0.008 0.000 0.216 767 A C 1.615 179.244 177.584 0.074 0.000 1.190 767 A CA 1.605 53.700 52.037 0.097 0.000 0.617 767 A CB -0.111 18.925 19.000 0.060 0.000 0.827 767 A HN 0.530 nan 8.150 nan 0.000 0.443 768 D N -0.379 120.042 120.400 0.036 0.000 2.123 768 D HA -0.184 4.461 4.640 0.008 0.000 0.196 768 D C 1.884 178.174 176.300 -0.018 0.000 0.992 768 D CA 1.708 55.714 54.000 0.010 0.000 0.833 768 D CB -0.318 40.479 40.800 -0.004 0.000 0.954 768 D HN 0.656 nan 8.370 nan 0.000 0.455 769 K N 0.080 120.438 120.400 -0.069 0.000 2.057 769 K HA -0.152 4.173 4.320 0.008 0.000 0.207 769 K C 1.080 177.559 176.600 -0.201 0.000 1.049 769 K CA 1.044 57.210 56.287 -0.202 0.000 0.931 769 K CB -0.094 32.177 32.500 -0.383 0.000 0.714 769 K HN 0.205 nan 8.250 nan 0.000 0.440 770 Y N -0.140 120.162 120.300 0.004 0.000 2.625 770 Y HA 0.298 4.853 4.550 0.008 0.000 0.285 770 Y C 1.580 177.483 175.900 0.005 0.000 1.168 770 Y CA -0.260 57.843 58.100 0.004 0.000 1.250 770 Y CB 0.499 38.961 38.460 0.002 0.000 1.130 770 Y HN 0.163 nan 8.280 nan 0.000 0.526 771 A N 0.220 123.113 122.820 0.121 0.000 1.917 771 A HA -0.241 4.084 4.320 0.008 0.000 0.219 771 A C 1.778 179.404 177.584 0.070 0.000 1.182 771 A CA 2.379 54.463 52.037 0.079 0.000 0.633 771 A CB -0.336 18.692 19.000 0.046 0.000 0.819 771 A HN 0.351 nan 8.150 nan 0.000 0.448 772 D N -0.660 119.780 120.400 0.067 0.000 2.183 772 D HA -0.067 4.578 4.640 0.008 0.000 0.203 772 D C 1.879 178.217 176.300 0.063 0.000 0.969 772 D CA 0.857 54.889 54.000 0.054 0.000 0.842 772 D CB -0.179 40.646 40.800 0.041 0.000 0.957 772 D HN 0.169 nan 8.370 nan 0.000 0.484 773 K N 0.698 121.154 120.400 0.093 0.000 2.097 773 K HA 0.025 4.350 4.320 0.008 0.000 0.205 773 K C 2.236 178.864 176.600 0.047 0.000 1.050 773 K CA 0.267 56.599 56.287 0.075 0.000 0.938 773 K CB -0.412 32.153 32.500 0.108 0.000 0.718 773 K HN 0.235 nan 8.250 nan 0.000 0.442 774 I N 1.292 121.898 120.570 0.059 0.000 2.179 774 I HA -0.284 3.891 4.170 0.008 0.000 0.242 774 I C 2.364 178.507 176.117 0.042 0.000 1.088 774 I CA 1.497 62.822 61.300 0.041 0.000 1.357 774 I CB -0.300 37.730 38.000 0.050 0.000 1.051 774 I HN 0.241 nan 8.210 nan 0.000 0.409 775 D N 1.176 121.602 120.400 0.045 0.000 2.149 775 D HA -0.251 4.394 4.640 0.008 0.000 0.198 775 D C 1.941 178.265 176.300 0.041 0.000 0.990 775 D CA 1.763 55.786 54.000 0.040 0.000 0.839 775 D CB 0.081 40.903 40.800 0.036 0.000 0.948 775 D HN 0.623 nan 8.370 nan 0.000 0.460 776 E N 0.192 120.415 120.200 0.039 0.000 2.158 776 E HA -0.110 4.245 4.350 0.008 0.000 0.191 776 E C 2.619 179.248 176.600 0.048 0.000 0.982 776 E CA 0.294 56.716 56.400 0.038 0.000 0.823 776 E CB -0.484 29.230 29.700 0.024 0.000 0.766 776 E HN 0.300 nan 8.360 nan 0.000 0.468 777 L N 1.029 122.279 121.223 0.044 0.000 2.093 777 L HA -0.125 4.220 4.340 0.008 0.000 0.208 777 L C 2.568 179.494 176.870 0.093 0.000 1.085 777 L CA 1.124 56.007 54.840 0.072 0.000 0.755 777 L CB -0.250 41.856 42.059 0.078 0.000 0.904 777 L HN 0.059 nan 8.230 nan 0.000 0.435 778 E N 0.347 120.590 120.200 0.071 0.000 2.110 778 E HA -0.199 4.156 4.350 0.008 0.000 0.193 778 E C 2.166 178.796 176.600 0.050 0.000 0.988 778 E CA 1.112 57.550 56.400 0.063 0.000 0.804 778 E CB -0.034 29.694 29.700 0.047 0.000 0.745 778 E HN 0.424 nan 8.360 nan 0.000 0.458 779 K N -0.453 119.977 120.400 0.050 0.000 2.103 779 K HA -0.073 4.252 4.320 0.008 0.000 0.204 779 K C 2.009 178.619 176.600 0.017 0.000 1.052 779 K CA 0.664 56.973 56.287 0.036 0.000 0.945 779 K CB -0.211 32.317 32.500 0.046 0.000 0.722 779 K HN 0.027 nan 8.250 nan 0.000 0.443 780 F N 2.113 121.983 119.950 -0.134 0.000 2.234 780 F HA -0.124 4.408 4.527 0.008 0.000 0.299 780 F C 1.997 177.616 175.800 -0.301 0.000 1.087 780 F CA 1.252 59.092 58.000 -0.266 0.000 1.340 780 F CB 0.081 38.831 39.000 -0.416 0.000 1.031 780 F HN -0.108 nan 8.300 nan 0.000 0.500 781 R N 0.155 120.572 120.500 -0.139 0.000 2.103 781 R HA -0.194 4.151 4.340 0.008 0.000 0.242 781 R C 1.814 178.124 176.300 0.017 0.000 1.142 781 R CA 1.817 57.912 56.100 -0.008 0.000 0.960 781 R CB -0.640 29.744 30.300 0.139 0.000 0.858 781 R HN 0.275 nan 8.270 nan 0.000 0.439 782 D N 0.016 120.410 120.400 -0.010 0.000 2.117 782 D HA -0.161 4.484 4.640 0.008 0.000 0.198 782 D C 1.724 178.009 176.300 -0.026 0.000 0.982 782 D CA 1.007 55.037 54.000 0.050 0.000 0.828 782 D CB -0.151 40.671 40.800 0.037 0.000 0.967 782 D HN 0.339 nan 8.370 nan 0.000 0.464 783 E N 0.384 120.456 120.200 -0.214 0.000 2.110 783 E HA -0.144 4.211 4.350 0.008 0.000 0.193 783 E C 1.891 178.284 176.600 -0.344 0.000 0.988 783 E CA 1.040 57.271 56.400 -0.282 0.000 0.804 783 E CB 0.050 29.510 29.700 -0.399 0.000 0.745 783 E HN 0.170 nan 8.360 nan 0.000 0.458 784 A N 0.411 122.841 122.820 -0.650 0.000 1.929 784 A HA -0.102 4.223 4.320 0.008 0.000 0.216 784 A C 1.965 179.542 177.584 -0.013 0.000 1.176 784 A CA 0.908 52.608 52.037 -0.562 0.000 0.628 784 A CB -0.765 17.567 19.000 -1.113 0.000 0.816 784 A HN 0.526 nan 8.150 nan 0.000 0.444 785 F N 0.437 120.418 119.950 0.052 0.000 2.084 785 F HA -0.214 4.318 4.527 0.008 0.000 0.296 785 F C 2.457 178.287 175.800 0.051 0.000 1.111 785 F CA 2.174 60.259 58.000 0.142 0.000 1.224 785 F CB -0.137 38.920 39.000 0.095 0.000 0.991 785 F HN 0.298 nan 8.300 nan 0.000 0.471 786 Q N 0.243 119.924 119.800 -0.199 0.000 2.135 786 Q HA -0.264 4.081 4.340 0.008 0.000 0.204 786 Q C 1.986 177.854 176.000 -0.221 0.000 0.981 786 Q CA 2.167 57.798 55.803 -0.285 0.000 0.856 786 Q CB -0.876 27.794 28.738 -0.114 0.000 0.902 786 Q HN 0.597 nan 8.270 nan 0.000 0.425 787 F N -0.091 119.722 119.950 -0.228 0.000 2.134 787 F HA -0.168 4.364 4.527 0.008 0.000 0.299 787 F C 1.930 177.559 175.800 -0.285 0.000 1.097 787 F CA 1.524 59.391 58.000 -0.221 0.000 1.264 787 F CB -0.460 38.457 39.000 -0.139 0.000 1.001 787 F HN 0.172 nan 8.300 nan 0.000 0.479 788 A N -0.353 122.452 122.820 -0.024 0.000 1.902 788 A HA -0.130 4.195 4.320 0.008 0.000 0.217 788 A C 2.260 179.687 177.584 -0.263 0.000 1.181 788 A CA 1.890 53.876 52.037 -0.086 0.000 0.623 788 A CB -1.332 17.701 19.000 0.055 0.000 0.818 788 A HN 0.264 nan 8.150 nan 0.000 0.443 789 V N 0.745 120.415 119.914 -0.408 0.000 2.343 789 V HA -0.232 3.893 4.120 0.008 0.000 0.247 789 V C 2.088 177.997 176.094 -0.309 0.000 1.051 789 V CA 2.288 64.356 62.300 -0.387 0.000 1.036 789 V CB -0.800 30.701 31.823 -0.537 0.000 0.654 789 V HN 0.507 nan 8.190 nan 0.000 0.451 790 D N 0.024 120.203 120.400 -0.368 0.000 2.144 790 D HA -0.093 4.552 4.640 0.008 0.000 0.200 790 D C 1.841 177.915 176.300 -0.376 0.000 0.978 790 D CA 1.146 54.934 54.000 -0.353 0.000 0.833 790 D CB -0.201 40.371 40.800 -0.379 0.000 0.961 790 D HN 0.452 nan 8.370 nan 0.000 0.470 791 N N -1.108 117.283 118.700 -0.515 0.000 2.332 791 N HA 0.085 4.830 4.740 0.008 0.000 0.190 791 N C 1.326 176.677 175.510 -0.265 0.000 1.117 791 N CA 0.825 53.554 53.050 -0.536 0.000 0.883 791 N CB 1.819 39.601 38.487 -1.176 0.000 1.089 791 N HN 0.199 nan 8.380 nan 0.000 0.480 792 G N 1.103 109.784 108.800 -0.199 0.000 2.179 792 G HA2 -0.281 3.684 3.960 0.008 0.000 0.260 792 G HA3 -0.281 3.684 3.960 0.008 0.000 0.260 792 G C -0.134 174.855 174.900 0.149 0.000 0.977 792 G CA 1.205 46.301 45.100 -0.007 0.000 0.641 792 G HN 0.545 nan 8.290 nan 0.000 0.533 793 Y N -1.746 118.595 120.300 0.068 0.000 2.689 793 Y HA 0.783 5.338 4.550 0.008 0.000 0.333 793 Y C -0.475 175.591 175.900 0.278 0.000 1.190 793 Y CA -1.710 56.480 58.100 0.150 0.000 1.063 793 Y CB 0.538 39.084 38.460 0.142 0.000 1.294 793 Y HN -0.029 nan 8.280 nan 0.000 0.466 794 D N 0.360 120.987 120.400 0.379 0.000 2.329 794 D HA 0.065 4.710 4.640 0.008 0.000 0.246 794 D C -0.315 176.077 176.300 0.152 0.000 1.111 794 D CA 0.001 54.161 54.000 0.268 0.000 0.941 794 D CB 0.449 41.394 40.800 0.243 0.000 1.169 794 D HN 0.655 nan 8.370 nan 0.000 0.441 795 H N 2.115 121.020 119.070 -0.276 0.000 3.094 795 H HA -0.038 4.523 4.556 0.008 0.000 0.320 795 H C -1.454 173.730 175.328 -0.240 0.000 1.000 795 H CA -0.754 54.824 56.048 -0.783 0.000 1.413 795 H CB 1.179 30.581 29.762 -0.600 0.000 1.405 795 H HN 0.140 nan 8.280 nan 0.000 0.586 796 P HA -0.168 nan 4.420 nan 0.000 0.219 796 P C 1.123 178.578 177.300 0.258 0.000 1.146 796 P CA 1.452 64.591 63.100 0.066 0.000 0.808 796 P CB 0.274 31.960 31.700 -0.023 0.000 0.779 797 D N -1.419 119.274 120.400 0.487 0.000 2.158 797 D HA -0.238 4.407 4.640 0.008 0.000 0.197 797 D C 1.896 178.401 176.300 0.342 0.000 0.995 797 D CA 1.102 55.307 54.000 0.341 0.000 0.846 797 D CB -0.511 40.417 40.800 0.214 0.000 0.941 797 D HN 0.144 nan 8.370 nan 0.000 0.456 798 Y N -0.233 120.219 120.300 0.253 0.000 2.262 798 Y HA -0.025 4.530 4.550 0.008 0.000 0.295 798 Y C 2.515 178.560 175.900 0.242 0.000 1.121 798 Y CA 1.888 60.121 58.100 0.222 0.000 1.144 798 Y CB -0.485 38.073 38.460 0.164 0.000 1.043 798 Y HN 0.092 nan 8.280 nan 0.000 0.528 799 T N -3.002 111.779 114.554 0.380 0.000 2.942 799 T HA -0.073 4.282 4.350 0.008 0.000 0.265 799 T C 1.100 175.902 174.700 0.169 0.000 1.062 799 T CA 1.335 63.603 62.100 0.280 0.000 1.139 799 T CB -0.299 68.741 68.868 0.287 0.000 0.883 799 T HN 0.208 nan 8.240 nan 0.000 0.468 800 D N -0.108 120.396 120.400 0.173 0.000 2.340 800 D HA 0.130 4.775 4.640 0.008 0.000 0.220 800 D C 0.071 176.438 176.300 0.111 0.000 1.039 800 D CA -0.285 53.780 54.000 0.109 0.000 0.866 800 D CB -0.389 40.468 40.800 0.094 0.000 0.913 800 D HN 0.605 nan 8.370 nan 0.000 0.523 801 W N 1.915 123.210 121.300 -0.008 0.000 2.264 801 W HA 0.235 4.899 4.660 0.008 0.000 0.331 801 W C -0.736 175.784 176.519 0.002 0.000 1.364 801 W CA -0.072 57.269 57.345 -0.007 0.000 1.253 801 W CB 0.527 29.965 29.460 -0.037 0.000 1.215 801 W HN -0.371 nan 8.180 nan 0.000 0.561 802 V N 8.936 128.319 119.914 -0.885 0.000 2.525 802 V HA 0.069 4.194 4.120 0.008 0.000 0.299 802 V C -0.566 174.911 176.094 -1.028 0.000 1.034 802 V CA -1.299 60.446 62.300 -0.925 0.000 0.863 802 V CB 0.757 32.328 31.823 -0.420 0.000 0.999 802 V HN 0.381 nan 8.190 nan 0.000 0.423 803 Y N 4.060 123.618 120.300 -1.236 0.000 2.904 803 Y HA -0.102 4.453 4.550 0.009 0.000 0.336 803 Y C 1.905 177.762 175.900 -0.071 0.000 1.263 803 Y CA 0.647 58.505 58.100 -0.404 0.000 1.547 803 Y CB 1.080 39.561 38.460 0.035 0.000 1.272 803 Y HN 0.872 nan 8.280 nan 0.000 0.596 804 S N 2.338 117.679 115.700 -0.599 0.000 2.440 804 S HA -0.156 4.319 4.470 0.008 0.000 0.238 804 S C 2.010 176.345 174.600 -0.441 0.000 1.010 804 S CA 0.874 58.813 58.200 -0.435 0.000 0.972 804 S CB -0.857 62.182 63.200 -0.269 0.000 0.774 804 S HN 0.914 nan 8.310 nan 0.000 0.501 805 G N 0.910 109.261 108.800 -0.749 0.000 2.534 805 G HA2 0.150 4.115 3.960 0.008 0.000 0.217 805 G HA3 0.150 4.115 3.960 0.008 0.000 0.217 805 G C 0.429 175.367 174.900 0.063 0.000 1.128 805 G CA 0.237 45.283 45.100 -0.090 0.000 0.784 805 G HN 0.467 nan 8.290 nan 0.000 0.542 806 V N 1.478 121.417 119.914 0.041 0.000 2.583 806 V HA 0.119 4.244 4.120 0.008 0.000 0.287 806 V C 0.334 176.448 176.094 0.032 0.000 1.051 806 V CA -0.994 61.345 62.300 0.064 0.000 1.010 806 V CB 1.485 33.329 31.823 0.035 0.000 0.988 806 V HN 0.265 nan 8.190 nan 0.000 0.478 807 N N 3.471 122.214 118.700 0.072 0.000 2.671 807 N HA -0.018 4.727 4.740 0.008 0.000 0.274 807 N C 1.188 176.745 175.510 0.078 0.000 1.188 807 N CA 0.293 53.377 53.050 0.056 0.000 1.065 807 N CB 0.796 39.306 38.487 0.037 0.000 1.415 807 N HN 0.885 nan 8.380 nan 0.000 0.511 808 T N -1.341 113.230 114.554 0.029 0.000 3.148 808 T HA 0.029 4.384 4.350 0.008 0.000 0.253 808 T C 1.011 175.724 174.700 0.021 0.000 1.134 808 T CA 0.071 62.182 62.100 0.018 0.000 1.051 808 T CB 0.325 69.178 68.868 -0.025 0.000 0.959 808 T HN 0.145 nan 8.240 nan 0.000 0.525 809 D N 1.511 121.925 120.400 0.024 0.000 2.178 809 D HA 0.076 4.721 4.640 0.008 0.000 0.202 809 D C 1.251 177.572 176.300 0.035 0.000 0.974 809 D CA 0.880 54.892 54.000 0.019 0.000 0.841 809 D CB 0.138 40.943 40.800 0.008 0.000 0.953 809 D HN 0.507 nan 8.370 nan 0.000 0.478 810 K N 0.534 120.975 120.400 0.067 0.000 2.525 810 K HA 0.068 4.393 4.320 0.008 0.000 0.262 810 K C 1.718 178.395 176.600 0.129 0.000 1.049 810 K CA -0.555 55.790 56.287 0.096 0.000 0.961 810 K CB 0.727 33.305 32.500 0.130 0.000 1.258 810 K HN -0.232 nan 8.250 nan 0.000 0.501 811 K N 0.230 120.739 120.400 0.182 0.000 1.978 811 K HA -0.086 4.239 4.320 0.008 0.000 0.221 811 K C 1.489 178.160 176.600 0.118 0.000 1.036 811 K CA 1.585 57.962 56.287 0.150 0.000 0.996 811 K CB -0.858 31.739 32.500 0.161 0.000 0.755 811 K HN 0.720 nan 8.250 nan 0.000 0.445 812 G N 0.071 108.947 108.800 0.127 0.000 4.084 812 G HA2 0.391 4.356 3.960 0.008 0.000 0.293 812 G HA3 0.391 4.356 3.960 0.008 0.000 0.293 812 G C 0.628 175.382 174.900 -0.244 0.000 1.303 812 G CA 0.268 45.345 45.100 -0.039 0.000 1.289 812 G HN 0.389 nan 8.290 nan 0.000 0.609 813 A N -0.030 122.717 122.820 -0.122 0.000 2.085 813 A HA 0.460 4.784 4.320 0.008 0.000 0.208 813 A C 1.488 179.030 177.584 -0.070 0.000 1.191 813 A CA 0.750 52.740 52.037 -0.078 0.000 0.799 813 A CB -0.134 18.961 19.000 0.158 0.000 0.877 813 A HN 0.646 nan 8.150 nan 0.000 0.473 814 V N 0.000 119.885 119.914 -0.049 0.000 2.409 814 V HA 0.000 4.125 4.120 0.008 0.000 0.244 814 V CA 0.000 62.262 62.300 -0.064 0.000 1.235 814 V CB 0.000 31.804 31.823 -0.032 0.000 1.184 814 V HN 0.000 nan 8.190 nan 0.000 0.556