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 3a0o_1_B DATA FIRST_RESID 12 DATA SEQUENCE TLLDEPRPGS LTIGYEPSEE AQPTENPPRF SWLPDIDDGA RYVLRISTDP DATA SEQUENCE GFTDKKTLVF EDLAWNFFTP DEALPDGHYH WCYALWDQKS ATAHSNWSTV DATA SEQUENCE RSFEISEALP KTPLPGRSAR HAAAQTSHPR LWLNSEQLSA FADAVAKDPN DATA SEQUENCE HCGWAEFYEK SVEPWLERPV MPEPQPYPNN TRVATLWRQM YIDCQEVIYA DATA SEQUENCE IRHLAIAGRV LGRDDLLDAS RKWLLAVAAW DTKGATSRAY NDEAGFRVVV DATA SEQUENCE ALAWGYDWLY DHLSEDERRT VRSVLLERTR EVADHVIAHA RIHVFPYDSH DATA SEQUENCE AVRSLSAVLT PACIALQGES DEAGEWLDYT VEFLATLYSP WAGTDGGWAE DATA SEQUENCE GPHYWMTGMA YLIEAANLIR SYIGYDLYQR PFFQNTGRFP LYTKAPGTRR DATA SEQUENCE ANFGDDSTLG DLPGLKLGYN VRQFAGVTGN GHYQWYFDHI KADATGTEMA DATA SEQUENCE FYNYGWWDLN FDDLVYRHDY PQVEAVSPAD LPALAVFDDI GWATIQKDME DATA SEQUENCE DPDRHLQFVF KSSPYGSLSH SHGDQNAFVL YAHGEDLAIQ SGYYVAFNSQ DATA SEQUENCE MHLNWRRQTR SKNAVLIGGK GQYAEKDKAL ARRAAGRIVS VEEQPGHVRI DATA SEQUENCE VGDATAAYQV ANPLVQKVLR ETHFVNDSYF VIVDEVECSE PQELQWLCHT DATA SEQUENCE LGAPQTGRSS FRYNGRKAGF YGQFVYSSGG TPQISAVEGF PDIDPKEFEG DATA SEQUENCE LDIHHHVCAT VPAATRHRLV TLLVPYSLKE PKRIFSFIDD QGFSTDIYFS DATA SEQUENCE DVDDERFKLS LPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 T HA 0.000 nan 4.350 nan 0.000 0.228 12 T C 0.000 174.700 174.700 0.000 0.000 1.109 12 T CA 0.000 62.128 62.100 0.047 0.000 1.349 12 T CB 0.000 68.963 68.868 0.157 0.000 0.612 13 L N 3.901 125.129 121.223 0.008 0.000 2.325 13 L HA 0.586 4.916 4.340 -0.015 0.000 0.284 13 L C -0.193 176.684 176.870 0.012 0.000 1.089 13 L CA -0.578 54.261 54.840 -0.002 0.000 0.836 13 L CB 0.181 42.245 42.059 0.008 0.000 1.184 13 L HN 0.684 nan 8.230 nan 0.000 0.444 14 L N 4.862 126.076 121.223 -0.015 0.000 2.513 14 L HA 0.157 4.488 4.340 -0.015 0.000 0.272 14 L C -0.183 176.730 176.870 0.070 0.000 1.187 14 L CA 0.465 55.321 54.840 0.027 0.000 0.895 14 L CB 0.246 42.284 42.059 -0.035 0.000 1.147 14 L HN 0.682 nan 8.230 nan 0.000 0.483 15 D N 3.911 124.393 120.400 0.135 0.000 2.277 15 D HA 0.194 4.824 4.640 -0.015 0.000 0.249 15 D C -0.812 175.626 176.300 0.229 0.000 1.134 15 D CA 0.091 54.183 54.000 0.154 0.000 0.863 15 D CB 0.674 41.570 40.800 0.160 0.000 1.143 15 D HN 0.625 nan 8.370 nan 0.000 0.458 16 E N 4.200 124.519 120.200 0.198 0.000 2.546 16 E HA 0.282 4.623 4.350 -0.015 0.000 0.227 16 E C -2.108 174.665 176.600 0.289 0.000 1.009 16 E CA -1.672 54.897 56.400 0.282 0.000 0.813 16 E CB 0.985 30.754 29.700 0.115 0.000 1.269 16 E HN 0.375 nan 8.360 nan 0.000 0.432 17 P HA 0.015 nan 4.420 nan 0.000 0.269 17 P C -0.285 177.185 177.300 0.283 0.000 1.215 17 P CA -0.313 62.933 63.100 0.244 0.000 0.780 17 P CB 0.629 32.445 31.700 0.193 0.000 0.898 18 R N 2.466 123.075 120.500 0.182 0.000 2.489 18 R HA 0.226 4.557 4.340 -0.015 0.000 0.287 18 R C -2.020 174.356 176.300 0.126 0.000 1.053 18 R CA -1.202 54.996 56.100 0.164 0.000 1.036 18 R CB -0.772 29.586 30.300 0.096 0.000 0.966 18 R HN 0.429 nan 8.270 nan 0.000 0.432 19 P HA 0.174 nan 4.420 nan 0.000 0.272 19 P C 0.022 177.314 177.300 -0.013 0.000 1.240 19 P CA -0.284 62.824 63.100 0.014 0.000 0.791 19 P CB 0.698 32.414 31.700 0.027 0.000 0.978 20 G N -0.969 107.790 108.800 -0.068 0.000 3.013 20 G HA2 0.396 4.346 3.960 -0.015 0.000 0.278 20 G HA3 0.396 4.346 3.960 -0.015 0.000 0.278 20 G C 0.818 175.658 174.900 -0.100 0.000 1.353 20 G CA -0.129 44.934 45.100 -0.063 0.000 1.043 20 G HN 0.424 nan 8.290 nan 0.000 0.523 21 S N -1.286 114.349 115.700 -0.108 0.000 2.447 21 S HA 0.023 4.484 4.470 -0.015 0.000 0.233 21 S C 1.400 175.798 174.600 -0.336 0.000 1.006 21 S CA 0.879 58.972 58.200 -0.178 0.000 0.957 21 S CB -0.171 62.944 63.200 -0.143 0.000 0.773 21 S HN 0.290 nan 8.310 nan 0.000 0.507 22 L N 1.670 122.735 121.223 -0.263 0.000 3.267 22 L HA 0.316 4.647 4.340 -0.015 0.000 0.289 22 L C 0.454 177.272 176.870 -0.086 0.000 1.260 22 L CA -0.195 54.428 54.840 -0.361 0.000 1.034 22 L CB 0.774 42.736 42.059 -0.161 0.000 1.413 22 L HN 0.372 nan 8.230 nan 0.000 0.594 23 T N -2.279 112.169 114.554 -0.178 0.000 2.937 23 T HA 0.599 4.940 4.350 -0.015 0.000 0.283 23 T C 0.482 175.088 174.700 -0.157 0.000 1.012 23 T CA -0.782 61.123 62.100 -0.325 0.000 0.997 23 T CB 1.683 70.275 68.868 -0.460 0.000 1.136 23 T HN 0.141 nan 8.240 nan 0.000 0.551 24 I N -0.566 119.849 120.570 -0.260 0.000 3.161 24 I HA 0.549 4.710 4.170 -0.015 0.000 0.284 24 I C 0.738 176.717 176.117 -0.229 0.000 1.252 24 I CA -0.646 60.499 61.300 -0.258 0.000 1.374 24 I CB -0.351 37.467 38.000 -0.303 0.000 1.359 24 I HN 0.827 nan 8.210 nan 0.000 0.606 25 G N 2.275 110.963 108.800 -0.188 0.000 2.705 25 G HA2 0.526 4.476 3.960 -0.015 0.000 0.299 25 G HA3 0.526 4.476 3.960 -0.015 0.000 0.299 25 G C -1.625 173.202 174.900 -0.122 0.000 1.315 25 G CA -0.824 44.203 45.100 -0.121 0.000 1.045 25 G HN 0.617 nan 8.290 nan 0.000 0.517 26 Y N 0.742 121.137 120.300 0.158 0.000 2.477 26 Y HA 0.418 4.958 4.550 -0.016 0.000 0.349 26 Y C 0.641 176.748 175.900 0.345 0.000 0.977 26 Y CA 0.000 58.295 58.100 0.325 0.000 1.214 26 Y CB 0.737 39.400 38.460 0.339 0.000 1.124 26 Y HN 0.334 nan 8.280 nan 0.000 0.521 27 E N 5.465 125.926 120.200 0.436 0.000 2.317 27 E HA 0.385 4.726 4.350 -0.015 0.000 0.270 27 E C -2.725 173.805 176.600 -0.117 0.000 0.885 27 E CA -2.504 54.002 56.400 0.177 0.000 0.760 27 E CB 2.546 32.217 29.700 -0.048 0.000 1.227 27 E HN 0.231 nan 8.360 nan 0.000 0.434 28 P HA 0.117 nan 4.420 nan 0.000 0.276 28 P C -0.767 176.755 177.300 0.371 0.000 1.252 28 P CA -0.268 62.731 63.100 -0.168 0.000 0.802 28 P CB 1.231 32.562 31.700 -0.615 0.000 1.035 29 S N -1.295 114.587 115.700 0.304 0.000 2.752 29 S HA 0.276 4.737 4.470 -0.015 0.000 0.284 29 S C 0.839 175.593 174.600 0.257 0.000 1.189 29 S CA -0.682 57.740 58.200 0.369 0.000 0.835 29 S CB 0.908 64.294 63.200 0.310 0.000 1.192 29 S HN 0.343 nan 8.310 nan 0.000 0.506 30 E N 0.337 120.669 120.200 0.219 0.000 2.204 30 E HA -0.094 4.247 4.350 -0.015 0.000 0.195 30 E C 0.880 177.551 176.600 0.118 0.000 0.990 30 E CA 1.271 57.766 56.400 0.159 0.000 0.821 30 E CB -0.113 29.667 29.700 0.132 0.000 0.750 30 E HN 0.628 nan 8.360 nan 0.000 0.477 31 E N -0.495 119.774 120.200 0.114 0.000 2.478 31 E HA 0.108 4.449 4.350 -0.015 0.000 0.194 31 E C -0.204 176.436 176.600 0.067 0.000 1.045 31 E CA 0.270 56.719 56.400 0.082 0.000 0.868 31 E CB 1.112 30.859 29.700 0.078 0.000 0.885 31 E HN 0.120 nan 8.360 nan 0.000 0.505 32 A N 1.076 123.945 122.820 0.081 0.000 3.307 32 A HA 0.183 4.494 4.320 -0.015 0.000 0.289 32 A C -0.638 176.964 177.584 0.030 0.000 1.138 32 A CA -0.729 51.332 52.037 0.040 0.000 0.860 32 A CB 0.324 19.341 19.000 0.029 0.000 1.318 32 A HN -0.121 nan 8.150 nan 0.000 0.551 33 Q N 2.157 121.982 119.800 0.040 0.000 2.361 33 Q HA 0.212 4.543 4.340 -0.015 0.000 0.276 33 Q C -2.121 173.858 176.000 -0.034 0.000 1.022 33 Q CA -1.004 54.825 55.803 0.045 0.000 0.898 33 Q CB 0.589 29.367 28.738 0.067 0.000 1.246 33 Q HN 0.527 nan 8.270 nan 0.000 0.410 34 P HA -0.010 nan 4.420 nan 0.000 0.268 34 P C 0.317 177.561 177.300 -0.094 0.000 1.205 34 P CA 0.205 63.202 63.100 -0.171 0.000 0.771 34 P CB 0.463 32.001 31.700 -0.270 0.000 0.858 35 T N -1.481 113.011 114.554 -0.103 0.000 3.069 35 T HA 0.196 4.537 4.350 -0.015 0.000 0.252 35 T C 0.345 175.012 174.700 -0.054 0.000 1.053 35 T CA 0.028 62.093 62.100 -0.060 0.000 0.964 35 T CB 0.104 68.941 68.868 -0.052 0.000 1.005 35 T HN 0.422 nan 8.240 nan 0.000 0.532 36 E N 0.934 121.080 120.200 -0.089 0.000 2.369 36 E HA 0.551 4.892 4.350 -0.015 0.000 0.270 36 E C -1.482 175.063 176.600 -0.091 0.000 0.909 36 E CA -1.065 55.292 56.400 -0.072 0.000 0.775 36 E CB 1.465 31.120 29.700 -0.074 0.000 1.270 36 E HN 0.028 nan 8.360 nan 0.000 0.445 37 N N 2.040 120.709 118.700 -0.052 0.000 2.448 37 N HA 0.314 5.044 4.740 -0.015 0.000 0.279 37 N C -2.828 172.664 175.510 -0.031 0.000 1.025 37 N CA -2.125 50.898 53.050 -0.044 0.000 0.898 37 N CB 1.613 40.097 38.487 -0.006 0.000 1.303 37 N HN 0.133 nan 8.380 nan 0.000 0.495 38 P HA 0.345 nan 4.420 nan 0.000 0.274 38 P C -2.738 174.453 177.300 -0.181 0.000 1.237 38 P CA -1.191 61.862 63.100 -0.079 0.000 0.793 38 P CB 0.094 31.769 31.700 -0.041 0.000 0.977 39 P HA 0.199 nan 4.420 nan 0.000 0.270 39 P C -0.289 176.668 177.300 -0.572 0.000 1.223 39 P CA 0.039 62.773 63.100 -0.609 0.000 0.785 39 P CB 0.286 31.244 31.700 -1.237 0.000 0.923 40 R N 1.504 121.686 120.500 -0.530 0.000 2.202 40 R HA 0.396 4.726 4.340 -0.015 0.000 0.334 40 R C -0.654 175.342 176.300 -0.506 0.000 1.036 40 R CA -0.088 55.782 56.100 -0.383 0.000 0.878 40 R CB -0.953 29.174 30.300 -0.288 0.000 1.067 40 R HN 0.368 nan 8.270 nan 0.000 0.457 41 F N 1.223 121.001 119.950 -0.286 0.000 2.394 41 F HA 0.463 4.981 4.527 -0.015 0.000 0.340 41 F C 0.702 176.442 175.800 -0.101 0.000 1.105 41 F CA -0.019 57.822 58.000 -0.265 0.000 1.124 41 F CB 1.528 40.406 39.000 -0.203 0.000 1.145 41 F HN 0.483 nan 8.300 nan 0.000 0.505 42 S N 2.516 118.298 115.700 0.136 0.000 2.537 42 S HA 0.784 5.245 4.470 -0.015 0.000 0.270 42 S C -1.731 173.021 174.600 0.253 0.000 1.142 42 S CA -0.910 57.280 58.200 -0.017 0.000 0.870 42 S CB 1.326 64.433 63.200 -0.154 0.000 1.112 42 S HN 0.760 nan 8.310 nan 0.000 0.466 43 W N 0.935 122.177 121.300 -0.097 0.000 3.372 43 W HA 0.731 5.382 4.660 -0.016 0.000 0.315 43 W C -2.218 174.083 176.519 -0.363 0.000 1.223 43 W CA -1.291 55.906 57.345 -0.248 0.000 1.202 43 W CB 0.238 29.542 29.460 -0.261 0.000 1.367 43 W HN 0.581 nan 8.180 nan 0.000 0.531 44 L N 5.043 126.037 121.223 -0.382 0.000 2.453 44 L HA 0.290 4.621 4.340 -0.015 0.000 0.272 44 L C -1.340 175.625 176.870 0.159 0.000 1.182 44 L CA -1.016 53.731 54.840 -0.155 0.000 0.858 44 L CB -0.057 41.910 42.059 -0.154 0.000 1.120 44 L HN 0.212 nan 8.230 nan 0.000 0.474 45 P HA 0.056 nan 4.420 nan 0.000 0.274 45 P C -0.855 176.695 177.300 0.417 0.000 1.237 45 P CA -0.540 62.761 63.100 0.336 0.000 0.793 45 P CB 0.668 32.562 31.700 0.324 0.000 0.977 46 D N 0.125 120.852 120.400 0.547 0.000 2.361 46 D HA -0.031 4.599 4.640 -0.015 0.000 0.239 46 D C 1.343 177.813 176.300 0.284 0.000 1.200 46 D CA -0.264 53.975 54.000 0.399 0.000 0.915 46 D CB 0.213 41.238 40.800 0.374 0.000 1.170 46 D HN 0.180 nan 8.370 nan 0.000 0.444 47 I N 1.006 121.703 120.570 0.213 0.000 2.248 47 I HA -0.185 3.976 4.170 -0.015 0.000 0.248 47 I C 0.338 176.551 176.117 0.159 0.000 1.107 47 I CA 1.270 62.670 61.300 0.167 0.000 1.373 47 I CB -0.352 37.726 38.000 0.129 0.000 1.055 47 I HN 0.431 nan 8.210 nan 0.000 0.418 48 D N -0.003 120.490 120.400 0.155 0.000 2.348 48 D HA -0.005 4.625 4.640 -0.015 0.000 0.253 48 D C 0.872 177.263 176.300 0.151 0.000 1.161 48 D CA 0.156 54.232 54.000 0.127 0.000 0.876 48 D CB 0.828 41.686 40.800 0.096 0.000 1.160 48 D HN 0.109 nan 8.370 nan 0.000 0.459 49 D N 2.373 122.857 120.400 0.140 0.000 2.117 49 D HA -0.041 4.590 4.640 -0.015 0.000 0.198 49 D C 1.817 178.187 176.300 0.116 0.000 0.982 49 D CA 1.077 55.175 54.000 0.162 0.000 0.828 49 D CB -0.122 40.767 40.800 0.148 0.000 0.967 49 D HN 0.609 nan 8.370 nan 0.000 0.464 50 G N -0.264 108.574 108.800 0.064 0.000 3.124 50 G HA2 0.262 4.213 3.960 -0.015 0.000 0.212 50 G HA3 0.262 4.213 3.960 -0.015 0.000 0.212 50 G C 0.442 175.327 174.900 -0.026 0.000 1.181 50 G CA 0.314 45.420 45.100 0.010 0.000 0.803 50 G HN 0.352 nan 8.290 nan 0.000 0.529 51 A N 0.522 123.329 122.820 -0.022 0.000 2.425 51 A HA 0.655 4.966 4.320 -0.015 0.000 0.249 51 A C 0.528 177.947 177.584 -0.275 0.000 1.084 51 A CA -0.144 51.805 52.037 -0.146 0.000 0.781 51 A CB 0.483 19.362 19.000 -0.201 0.000 1.019 51 A HN 0.412 nan 8.150 nan 0.000 0.490 52 R N 0.325 120.656 120.500 -0.281 0.000 2.778 52 R HA 0.597 4.928 4.340 -0.015 0.000 0.277 52 R C -1.581 174.555 176.300 -0.273 0.000 0.977 52 R CA -0.421 55.569 56.100 -0.183 0.000 0.950 52 R CB 1.554 31.882 30.300 0.047 0.000 1.165 52 R HN 0.759 nan 8.270 nan 0.000 0.474 53 Y N -0.484 119.926 120.300 0.183 0.000 2.562 53 Y HA 0.545 5.086 4.550 -0.015 0.000 0.343 53 Y C -0.398 175.526 175.900 0.040 0.000 1.025 53 Y CA -0.973 57.242 58.100 0.193 0.000 1.082 53 Y CB 2.139 40.825 38.460 0.377 0.000 1.264 53 Y HN 0.180 nan 8.280 nan 0.000 0.478 54 V N 4.286 124.321 119.914 0.203 0.000 2.531 54 V HA 0.538 4.648 4.120 -0.015 0.000 0.301 54 V C -1.553 174.641 176.094 0.166 0.000 1.034 54 V CA -0.758 61.572 62.300 0.050 0.000 0.865 54 V CB 1.451 33.345 31.823 0.118 0.000 0.995 54 V HN 0.716 nan 8.190 nan 0.000 0.424 55 L N 8.136 129.410 121.223 0.085 0.000 2.322 55 L HA 0.747 5.078 4.340 -0.015 0.000 0.281 55 L C -0.372 176.635 176.870 0.228 0.000 1.014 55 L CA -0.724 54.187 54.840 0.119 0.000 0.815 55 L CB 1.501 43.498 42.059 -0.103 0.000 1.247 55 L HN 0.867 nan 8.230 nan 0.000 0.421 56 R N 4.625 125.264 120.500 0.232 0.000 2.599 56 R HA 0.738 5.069 4.340 -0.015 0.000 0.295 56 R C -1.574 174.975 176.300 0.415 0.000 0.963 56 R CA -0.860 55.361 56.100 0.202 0.000 0.883 56 R CB 1.948 32.224 30.300 -0.040 0.000 1.171 56 R HN 0.491 nan 8.270 nan 0.000 0.450 57 I N 1.365 122.206 120.570 0.452 0.000 2.466 57 I HA 0.390 4.551 4.170 -0.015 0.000 0.289 57 I C -0.581 175.802 176.117 0.443 0.000 1.026 57 I CA -0.652 60.990 61.300 0.569 0.000 1.078 57 I CB 2.258 40.579 38.000 0.535 0.000 1.249 57 I HN 0.721 nan 8.210 nan 0.000 0.429 58 S N 1.920 117.833 115.700 0.355 0.000 2.541 58 S HA 0.344 4.805 4.470 -0.015 0.000 0.271 58 S C 0.703 175.304 174.600 0.002 0.000 1.133 58 S CA -0.244 58.003 58.200 0.079 0.000 0.876 58 S CB 1.612 64.671 63.200 -0.236 0.000 1.105 58 S HN 0.788 nan 8.310 nan 0.000 0.470 59 T N -0.035 114.472 114.554 -0.077 0.000 2.995 59 T HA 0.052 4.393 4.350 -0.015 0.000 0.269 59 T C 0.389 175.033 174.700 -0.094 0.000 1.091 59 T CA 0.953 62.917 62.100 -0.226 0.000 1.128 59 T CB -0.436 68.258 68.868 -0.289 0.000 0.891 59 T HN 0.548 nan 8.240 nan 0.000 0.492 60 D N 2.666 122.963 120.400 -0.171 0.000 2.274 60 D HA 0.277 4.907 4.640 -0.015 0.000 0.239 60 D C -1.646 174.332 176.300 -0.537 0.000 1.104 60 D CA -2.897 50.957 54.000 -0.245 0.000 0.840 60 D CB 1.825 42.509 40.800 -0.193 0.000 1.100 60 D HN -0.067 nan 8.370 nan 0.000 0.477 61 P HA -0.008 nan 4.420 nan 0.000 0.231 61 P C 0.978 178.026 177.300 -0.419 0.000 1.158 61 P CA 0.591 63.156 63.100 -0.892 0.000 0.763 61 P CB 0.253 31.474 31.700 -0.798 0.000 0.805 62 G N -1.643 106.986 108.800 -0.286 0.000 2.986 62 G HA2 0.030 3.980 3.960 -0.015 0.000 0.213 62 G HA3 0.030 3.980 3.960 -0.015 0.000 0.213 62 G C 0.191 175.135 174.900 0.073 0.000 1.156 62 G CA -0.386 44.681 45.100 -0.054 0.000 0.763 62 G HN 0.010 nan 8.290 nan 0.000 0.547 63 F N 0.586 120.456 119.950 -0.132 0.000 3.074 63 F HA -0.197 4.320 4.527 -0.015 0.000 0.287 63 F C 1.319 177.050 175.800 -0.115 0.000 0.932 63 F CA 0.613 58.533 58.000 -0.132 0.000 0.995 63 F CB -2.446 36.415 39.000 -0.232 0.000 0.966 63 F HN 0.124 nan 8.300 nan 0.000 0.721 64 T N 0.149 114.709 114.554 0.010 0.000 2.934 64 T HA 0.051 4.391 4.350 -0.015 0.000 0.306 64 T C 1.408 176.115 174.700 0.012 0.000 1.042 64 T CA 0.490 62.592 62.100 0.003 0.000 1.145 64 T CB 0.758 69.615 68.868 -0.019 0.000 0.982 64 T HN 0.463 nan 8.240 nan 0.000 0.544 65 D N 3.276 123.683 120.400 0.013 0.000 2.191 65 D HA -0.237 4.393 4.640 -0.015 0.000 0.190 65 D C 1.967 178.273 176.300 0.010 0.000 1.007 65 D CA 2.389 56.397 54.000 0.015 0.000 0.865 65 D CB -0.011 40.798 40.800 0.015 0.000 0.929 65 D HN 0.835 nan 8.370 nan 0.000 0.447 66 K N -0.252 120.151 120.400 0.004 0.000 2.155 66 K HA -0.083 4.227 4.320 -0.015 0.000 0.203 66 K C 1.384 177.986 176.600 0.004 0.000 1.052 66 K CA 0.943 57.231 56.287 0.002 0.000 0.948 66 K CB -0.124 32.375 32.500 -0.002 0.000 0.728 66 K HN 0.036 nan 8.250 nan 0.000 0.448 67 K N 1.451 121.851 120.400 -0.000 0.000 2.493 67 K HA 0.141 4.452 4.320 -0.015 0.000 0.207 67 K C -0.810 175.805 176.600 0.025 0.000 1.033 67 K CA -0.054 56.233 56.287 -0.001 0.000 1.161 67 K CB 1.080 33.559 32.500 -0.035 0.000 0.873 67 K HN 0.035 nan 8.250 nan 0.000 0.491 68 T N 0.963 115.542 114.554 0.041 0.000 2.881 68 T HA 0.356 4.697 4.350 -0.015 0.000 0.291 68 T C -0.489 174.234 174.700 0.038 0.000 0.990 68 T CA -0.672 61.475 62.100 0.080 0.000 0.976 68 T CB 1.483 70.415 68.868 0.106 0.000 0.970 68 T HN 0.032 nan 8.240 nan 0.000 0.438 69 L N 3.118 124.372 121.223 0.052 0.000 2.326 69 L HA 0.630 4.961 4.340 -0.015 0.000 0.278 69 L C -0.414 176.334 176.870 -0.203 0.000 1.092 69 L CA -0.698 54.071 54.840 -0.118 0.000 0.810 69 L CB 1.027 43.041 42.059 -0.076 0.000 1.153 69 L HN 0.341 nan 8.230 nan 0.000 0.439 70 V N 3.680 123.346 119.914 -0.412 0.000 2.531 70 V HA 0.390 4.501 4.120 -0.015 0.000 0.301 70 V C -0.739 175.006 176.094 -0.582 0.000 1.034 70 V CA -0.460 61.654 62.300 -0.311 0.000 0.865 70 V CB 1.578 33.325 31.823 -0.127 0.000 0.995 70 V HN 0.368 nan 8.190 nan 0.000 0.424 71 F N 2.647 122.485 119.950 -0.186 0.000 2.347 71 F HA 0.535 5.053 4.527 -0.015 0.000 0.366 71 F C 0.650 176.180 175.800 -0.450 0.000 1.107 71 F CA -0.503 57.294 58.000 -0.339 0.000 1.058 71 F CB 1.117 39.775 39.000 -0.570 0.000 1.236 71 F HN 0.449 nan 8.300 nan 0.000 0.456 72 E N 0.661 120.617 120.200 -0.407 0.000 2.250 72 E HA 0.203 4.544 4.350 -0.015 0.000 0.269 72 E C -0.439 175.686 176.600 -0.791 0.000 1.018 72 E CA -0.736 55.135 56.400 -0.882 0.000 0.873 72 E CB 0.794 29.867 29.700 -1.045 0.000 1.134 72 E HN 0.557 nan 8.360 nan 0.000 0.403 73 D N 0.950 120.587 120.400 -1.271 0.000 2.689 73 D HA -0.187 4.444 4.640 -0.015 0.000 0.237 73 D C -1.183 174.982 176.300 -0.225 0.000 1.148 73 D CA 0.452 54.105 54.000 -0.577 0.000 0.656 73 D CB -1.050 39.632 40.800 -0.197 0.000 1.050 73 D HN 0.287 nan 8.370 nan 0.000 0.426 74 L N -0.273 120.844 121.223 -0.176 0.000 2.367 74 L HA 0.438 4.769 4.340 -0.015 0.000 0.275 74 L C 1.905 178.780 176.870 0.008 0.000 1.129 74 L CA 0.034 54.841 54.840 -0.054 0.000 0.839 74 L CB 1.039 43.099 42.059 0.002 0.000 1.133 74 L HN 0.186 nan 8.230 nan 0.000 0.453 75 A N 3.430 126.183 122.820 -0.111 0.000 2.016 75 A HA 0.019 4.330 4.320 -0.015 0.000 0.217 75 A C 0.186 177.393 177.584 -0.628 0.000 1.162 75 A CA 0.601 52.388 52.037 -0.417 0.000 0.662 75 A CB -0.036 18.627 19.000 -0.563 0.000 0.812 75 A HN 0.741 nan 8.150 nan 0.000 0.450 76 W N -1.022 120.285 121.300 0.012 0.000 2.975 76 W HA 0.376 5.027 4.660 -0.015 0.000 0.342 76 W C 0.385 176.752 176.519 -0.253 0.000 1.168 76 W CA -0.796 56.484 57.345 -0.108 0.000 1.141 76 W CB 0.718 29.890 29.460 -0.479 0.000 1.445 76 W HN 0.161 nan 8.180 nan 0.000 0.560 77 N N 1.668 120.310 118.700 -0.098 0.000 2.416 77 N HA 0.035 4.765 4.740 -0.015 0.000 0.215 77 N C -0.741 173.875 175.510 -1.489 0.000 1.208 77 N CA 0.199 52.549 53.050 -1.166 0.000 0.834 77 N CB -0.585 37.419 38.487 -0.805 0.000 1.072 77 N HN 0.406 nan 8.380 nan 0.000 0.472 78 F N -2.544 116.871 119.950 -0.891 0.000 2.619 78 F HA 0.746 5.264 4.527 -0.015 0.000 0.308 78 F C -1.637 174.098 175.800 -0.109 0.000 1.097 78 F CA -1.724 55.925 58.000 -0.585 0.000 0.953 78 F CB 1.312 40.093 39.000 -0.364 0.000 1.287 78 F HN -0.159 nan 8.300 nan 0.000 0.446 79 F N 0.876 120.769 119.950 -0.096 0.000 2.635 79 F HA 0.623 5.140 4.527 -0.015 0.000 0.314 79 F C -1.552 174.239 175.800 -0.015 0.000 1.119 79 F CA -0.229 57.715 58.000 -0.093 0.000 1.000 79 F CB 2.333 41.291 39.000 -0.070 0.000 1.278 79 F HN 0.721 nan 8.300 nan 0.000 0.446 80 T N 6.693 120.715 114.554 -0.887 0.000 2.815 80 T HA 0.419 4.760 4.350 -0.015 0.000 0.289 80 T C -2.724 171.235 174.700 -1.235 0.000 1.000 80 T CA -1.350 60.299 62.100 -0.751 0.000 0.958 80 T CB 1.701 70.340 68.868 -0.383 0.000 0.944 80 T HN 0.218 nan 8.240 nan 0.000 0.442 81 P HA 0.118 nan 4.420 nan 0.000 0.271 81 P C 0.440 177.583 177.300 -0.262 0.000 1.233 81 P CA -0.270 62.490 63.100 -0.567 0.000 0.789 81 P CB 0.571 32.136 31.700 -0.225 0.000 0.951 82 D N -0.377 119.985 120.400 -0.064 0.000 2.340 82 D HA -0.028 4.603 4.640 -0.015 0.000 0.220 82 D C -0.011 176.297 176.300 0.013 0.000 1.039 82 D CA 0.311 54.289 54.000 -0.036 0.000 0.866 82 D CB -0.120 40.681 40.800 0.001 0.000 0.913 82 D HN 0.622 nan 8.370 nan 0.000 0.523 83 E N -0.890 119.336 120.200 0.043 0.000 2.366 83 E HA 0.593 4.934 4.350 -0.015 0.000 0.278 83 E C -1.294 175.338 176.600 0.053 0.000 0.923 83 E CA -1.336 55.096 56.400 0.053 0.000 0.761 83 E CB 1.532 31.276 29.700 0.073 0.000 1.231 83 E HN -0.025 nan 8.360 nan 0.000 0.443 84 A N 3.088 125.934 122.820 0.043 0.000 2.483 84 A HA 0.352 4.663 4.320 -0.015 0.000 0.238 84 A C -0.058 177.558 177.584 0.053 0.000 1.070 84 A CA -0.282 51.777 52.037 0.037 0.000 0.770 84 A CB 0.090 19.112 19.000 0.036 0.000 1.008 84 A HN 0.576 nan 8.150 nan 0.000 0.497 85 L N 2.587 123.831 121.223 0.034 0.000 2.375 85 L HA 0.340 4.670 4.340 -0.015 0.000 0.271 85 L C -1.955 174.976 176.870 0.101 0.000 1.107 85 L CA -1.920 52.943 54.840 0.037 0.000 0.806 85 L CB 0.990 42.955 42.059 -0.157 0.000 1.146 85 L HN 0.468 nan 8.230 nan 0.000 0.447 86 P HA 0.014 nan 4.420 nan 0.000 0.269 86 P C -1.186 176.259 177.300 0.242 0.000 1.217 86 P CA -0.333 62.876 63.100 0.181 0.000 0.783 86 P CB 0.352 32.159 31.700 0.179 0.000 0.898 87 D N 0.169 120.658 120.400 0.148 0.000 2.423 87 D HA 0.445 5.076 4.640 -0.015 0.000 0.238 87 D C 1.028 177.383 176.300 0.093 0.000 1.142 87 D CA 0.949 55.021 54.000 0.121 0.000 0.884 87 D CB 0.208 41.039 40.800 0.052 0.000 1.199 87 D HN 0.605 nan 8.370 nan 0.000 0.438 88 G N 0.342 109.154 108.800 0.018 0.000 2.362 88 G HA2 0.120 4.071 3.960 -0.015 0.000 0.288 88 G HA3 0.120 4.071 3.960 -0.015 0.000 0.288 88 G C -1.770 172.909 174.900 -0.368 0.000 1.305 88 G CA -1.032 43.954 45.100 -0.190 0.000 0.910 88 G HN 0.529 nan 8.290 nan 0.000 0.518 89 H N -0.567 118.293 119.070 -0.350 0.000 2.476 89 H HA 0.688 5.235 4.556 -0.016 0.000 0.328 89 H C -0.809 174.101 175.328 -0.697 0.000 1.073 89 H CA -0.055 55.773 56.048 -0.367 0.000 1.229 89 H CB 1.233 30.839 29.762 -0.260 0.000 1.432 89 H HN 0.491 nan 8.280 nan 0.000 0.477 90 Y N 1.099 121.015 120.300 -0.640 0.000 2.598 90 Y HA 0.424 4.964 4.550 -0.016 0.000 0.340 90 Y C 0.239 175.604 175.900 -0.891 0.000 1.038 90 Y CA -0.859 56.776 58.100 -0.775 0.000 1.100 90 Y CB 1.691 39.518 38.460 -1.054 0.000 1.281 90 Y HN 0.605 nan 8.280 nan 0.000 0.488 91 H N 0.802 119.888 119.070 0.026 0.000 2.821 91 H HA 0.318 4.865 4.556 -0.015 0.000 0.373 91 H C -1.324 174.406 175.328 0.669 0.000 1.165 91 H CA -1.029 55.155 56.048 0.227 0.000 1.154 91 H CB 2.548 32.262 29.762 -0.080 0.000 1.765 91 H HN 0.836 nan 8.280 nan 0.000 0.549 92 W N 1.188 122.939 121.300 0.752 0.000 3.217 92 W HA 0.520 5.170 4.660 -0.016 0.000 0.323 92 W C -1.406 175.374 176.519 0.435 0.000 1.216 92 W CA -1.288 56.474 57.345 0.695 0.000 1.194 92 W CB 0.826 30.732 29.460 0.743 0.000 1.397 92 W HN 0.826 nan 8.180 nan 0.000 0.537 93 C N 1.161 120.580 119.300 0.198 0.000 3.318 93 C HA 0.892 5.343 4.460 -0.015 0.000 0.322 93 C C -1.070 174.038 174.990 0.197 0.000 1.398 93 C CA -0.885 58.064 59.018 -0.115 0.000 1.339 93 C CB 1.375 28.891 27.740 -0.374 0.000 1.668 93 C HN 0.965 nan 8.230 nan 0.000 0.462 94 Y N -0.289 120.049 120.300 0.063 0.000 2.609 94 Y HA 0.975 5.515 4.550 -0.016 0.000 0.342 94 Y C -0.373 175.527 175.900 -0.001 0.000 1.058 94 Y CA -0.529 57.585 58.100 0.023 0.000 1.055 94 Y CB 1.213 39.329 38.460 -0.574 0.000 1.292 94 Y HN 1.415 nan 8.280 nan 0.000 0.476 95 A N 1.584 124.348 122.820 -0.093 0.000 2.583 95 A HA 0.707 5.017 4.320 -0.015 0.000 0.289 95 A C -1.728 175.795 177.584 -0.101 0.000 1.151 95 A CA -1.227 50.571 52.037 -0.399 0.000 0.695 95 A CB 1.170 19.418 19.000 -1.252 0.000 1.290 95 A HN 0.858 nan 8.150 nan 0.000 0.419 96 L N 1.215 122.268 121.223 -0.284 0.000 2.397 96 L HA 0.234 4.565 4.340 -0.015 0.000 0.271 96 L C -0.286 176.352 176.870 -0.387 0.000 1.148 96 L CA -0.013 54.581 54.840 -0.410 0.000 0.825 96 L CB 0.669 42.286 42.059 -0.737 0.000 1.117 96 L HN 0.739 nan 8.230 nan 0.000 0.456 97 W N 4.375 125.468 121.300 -0.344 0.000 2.471 97 W HA 0.223 4.873 4.660 -0.015 0.000 0.318 97 W C -0.999 175.543 176.519 0.039 0.000 1.034 97 W CA -0.843 56.413 57.345 -0.148 0.000 1.224 97 W CB 1.750 31.160 29.460 -0.083 0.000 1.335 97 W HN 0.495 nan 8.180 nan 0.000 0.452 98 D N 4.014 124.193 120.400 -0.367 0.000 2.339 98 D HA 0.018 4.649 4.640 -0.015 0.000 0.241 98 D C 1.084 176.990 176.300 -0.657 0.000 1.183 98 D CA 0.334 54.142 54.000 -0.320 0.000 0.859 98 D CB 1.571 42.226 40.800 -0.241 0.000 1.067 98 D HN 0.535 nan 8.370 nan 0.000 0.484 99 Q N 3.911 123.542 119.800 -0.281 0.000 2.046 99 Q HA -0.196 4.135 4.340 -0.015 0.000 0.200 99 Q C 1.771 177.715 176.000 -0.093 0.000 0.975 99 Q CA 1.346 57.106 55.803 -0.073 0.000 0.836 99 Q CB 0.112 28.904 28.738 0.089 0.000 0.896 99 Q HN 0.615 nan 8.270 nan 0.000 0.428 100 K N -0.741 119.592 120.400 -0.111 0.000 2.097 100 K HA -0.094 4.216 4.320 -0.015 0.000 0.206 100 K C 1.941 178.475 176.600 -0.110 0.000 1.049 100 K CA 1.742 57.977 56.287 -0.086 0.000 0.933 100 K CB -0.352 32.098 32.500 -0.083 0.000 0.717 100 K HN 0.022 nan 8.250 nan 0.000 0.442 101 S N 0.031 115.621 115.700 -0.184 0.000 2.575 101 S HA 0.274 4.735 4.470 -0.015 0.000 0.215 101 S C 0.514 174.969 174.600 -0.242 0.000 0.966 101 S CA 0.357 58.446 58.200 -0.185 0.000 0.911 101 S CB -0.350 62.735 63.200 -0.192 0.000 0.780 101 S HN 0.531 nan 8.310 nan 0.000 0.514 102 A N 0.727 123.346 122.820 -0.335 0.000 2.466 102 A HA -0.099 4.212 4.320 -0.015 0.000 0.295 102 A C 0.468 177.602 177.584 -0.751 0.000 1.465 102 A CA 1.204 53.009 52.037 -0.387 0.000 0.744 102 A CB -2.434 16.614 19.000 0.079 0.000 1.098 102 A HN 0.665 nan 8.150 nan 0.000 0.402 103 T N -1.591 112.204 114.554 -1.265 0.000 2.821 103 T HA 0.710 5.050 4.350 -0.015 0.000 0.306 103 T C -0.133 174.102 174.700 -0.776 0.000 1.313 103 T CA 0.414 62.033 62.100 -0.802 0.000 1.012 103 T CB 1.390 70.067 68.868 -0.318 0.000 1.298 103 T HN 1.966 nan 8.240 nan 0.000 0.502 104 A N 1.862 124.527 122.820 -0.259 0.000 2.404 104 A HA 0.463 4.774 4.320 -0.015 0.000 0.273 104 A C 0.442 177.872 177.584 -0.255 0.000 1.144 104 A CA 0.183 52.078 52.037 -0.237 0.000 0.806 104 A CB -0.451 18.354 19.000 -0.327 0.000 1.080 104 A HN 1.062 nan 8.150 nan 0.000 0.509 105 H N 0.549 119.459 119.070 -0.266 0.000 2.542 105 H HA 0.433 4.979 4.556 -0.015 0.000 0.283 105 H C 0.220 175.434 175.328 -0.190 0.000 1.059 105 H CA 0.243 56.162 56.048 -0.215 0.000 1.162 105 H CB -0.015 29.625 29.762 -0.202 0.000 1.539 105 H HN 0.525 nan 8.280 nan 0.000 0.543 106 S N 0.214 115.656 115.700 -0.430 0.000 2.667 106 S HA 0.324 4.784 4.470 -0.015 0.000 0.292 106 S C -0.329 174.038 174.600 -0.388 0.000 1.126 106 S CA -1.018 56.985 58.200 -0.328 0.000 0.881 106 S CB 1.705 64.699 63.200 -0.344 0.000 1.132 106 S HN 0.563 nan 8.310 nan 0.000 0.492 107 N N 0.047 118.589 118.700 -0.264 0.000 2.381 107 N HA 0.033 4.764 4.740 -0.015 0.000 0.241 107 N C -1.033 174.262 175.510 -0.358 0.000 1.279 107 N CA -0.102 52.803 53.050 -0.240 0.000 0.896 107 N CB -0.114 38.308 38.487 -0.108 0.000 1.118 107 N HN 0.784 nan 8.380 nan 0.000 0.438 108 W N 0.526 121.710 121.300 -0.193 0.000 2.170 108 W HA 0.171 4.822 4.660 -0.015 0.000 0.336 108 W C 1.348 177.649 176.519 -0.363 0.000 1.283 108 W CA -0.515 56.657 57.345 -0.289 0.000 1.224 108 W CB 0.410 29.688 29.460 -0.302 0.000 1.132 108 W HN 0.570 nan 8.180 nan 0.000 0.571 109 S N 0.883 116.391 115.700 -0.319 0.000 2.606 109 S HA 0.224 4.685 4.470 -0.015 0.000 0.257 109 S C 0.230 174.630 174.600 -0.333 0.000 1.327 109 S CA -0.861 57.026 58.200 -0.521 0.000 0.984 109 S CB 0.203 62.675 63.200 -1.212 0.000 0.941 109 S HN 0.407 nan 8.310 nan 0.000 0.576 110 T N 1.552 115.916 114.554 -0.318 0.000 2.933 110 T HA 0.175 4.516 4.350 -0.015 0.000 0.306 110 T C 0.056 174.582 174.700 -0.290 0.000 1.045 110 T CA -0.228 61.722 62.100 -0.250 0.000 1.143 110 T CB -0.040 68.680 68.868 -0.246 0.000 1.003 110 T HN 0.512 nan 8.240 nan 0.000 0.540 111 V N 5.561 125.368 119.914 -0.179 0.000 2.530 111 V HA 0.336 4.447 4.120 -0.015 0.000 0.282 111 V C 0.662 176.694 176.094 -0.104 0.000 1.048 111 V CA -0.154 62.080 62.300 -0.111 0.000 0.997 111 V CB 0.686 32.555 31.823 0.077 0.000 0.987 111 V HN 0.714 nan 8.190 nan 0.000 0.477 112 R N 2.683 123.060 120.500 -0.205 0.000 2.803 112 R HA 0.754 5.084 4.340 -0.015 0.000 0.276 112 R C -0.635 175.840 176.300 0.292 0.000 0.978 112 R CA -0.516 55.559 56.100 -0.040 0.000 0.939 112 R CB 2.288 32.495 30.300 -0.154 0.000 1.179 112 R HN 0.826 nan 8.270 nan 0.000 0.472 113 S N 1.107 117.037 115.700 0.383 0.000 2.568 113 S HA 0.825 5.285 4.470 -0.015 0.000 0.293 113 S C -0.786 174.074 174.600 0.434 0.000 1.089 113 S CA -0.894 57.496 58.200 0.316 0.000 0.945 113 S CB 1.320 64.587 63.200 0.111 0.000 1.077 113 S HN 0.549 nan 8.310 nan 0.000 0.485 114 F N -1.447 118.627 119.950 0.206 0.000 2.668 114 F HA 0.771 5.289 4.527 -0.016 0.000 0.309 114 F C -0.896 174.990 175.800 0.143 0.000 1.117 114 F CA -1.036 57.063 58.000 0.165 0.000 0.951 114 F CB 1.240 40.318 39.000 0.130 0.000 1.323 114 F HN 0.727 nan 8.300 nan 0.000 0.451 115 E N 2.095 122.432 120.200 0.229 0.000 2.191 115 E HA 0.548 4.888 4.350 -0.015 0.000 0.274 115 E C -1.475 175.218 176.600 0.155 0.000 0.948 115 E CA -0.860 55.553 56.400 0.022 0.000 0.802 115 E CB 1.426 31.071 29.700 -0.092 0.000 1.137 115 E HN 0.608 nan 8.360 nan 0.000 0.397 116 I N 3.675 124.319 120.570 0.123 0.000 2.406 116 I HA 0.214 4.375 4.170 -0.015 0.000 0.290 116 I C 0.046 176.193 176.117 0.050 0.000 0.999 116 I CA -0.439 60.942 61.300 0.135 0.000 1.124 116 I CB 1.022 39.145 38.000 0.205 0.000 1.289 116 I HN 0.543 nan 8.210 nan 0.000 0.441 117 S N 3.831 119.552 115.700 0.035 0.000 2.638 117 S HA 0.416 4.876 4.470 -0.015 0.000 0.302 117 S C 0.778 175.397 174.600 0.031 0.000 1.096 117 S CA -0.673 57.540 58.200 0.021 0.000 0.953 117 S CB 2.470 65.675 63.200 0.010 0.000 1.107 117 S HN 0.655 nan 8.310 nan 0.000 0.503 118 E N 0.651 120.868 120.200 0.028 0.000 2.160 118 E HA -0.167 4.174 4.350 -0.015 0.000 0.195 118 E C 1.953 178.568 176.600 0.026 0.000 0.991 118 E CA 1.252 57.670 56.400 0.029 0.000 0.810 118 E CB -0.436 29.279 29.700 0.026 0.000 0.742 118 E HN 0.811 nan 8.360 nan 0.000 0.466 119 A N 0.776 123.610 122.820 0.022 0.000 2.067 119 A HA -0.018 4.292 4.320 -0.015 0.000 0.219 119 A C 1.104 178.699 177.584 0.020 0.000 1.158 119 A CA 0.292 52.341 52.037 0.020 0.000 0.661 119 A CB -0.346 18.665 19.000 0.018 0.000 0.801 119 A HN 0.188 nan 8.150 nan 0.000 0.452 120 L N 1.008 122.242 121.223 0.019 0.000 2.455 120 L HA 0.174 4.504 4.340 -0.015 0.000 0.272 120 L C -2.288 174.594 176.870 0.018 0.000 1.174 120 L CA -1.768 53.081 54.840 0.014 0.000 0.869 120 L CB 0.172 42.236 42.059 0.008 0.000 1.130 120 L HN 0.050 nan 8.230 nan 0.000 0.474 121 P HA 0.021 nan 4.420 nan 0.000 0.264 121 P C -0.972 176.344 177.300 0.027 0.000 1.193 121 P CA 0.050 63.168 63.100 0.030 0.000 0.763 121 P CB 0.326 32.049 31.700 0.040 0.000 0.810 122 K N 1.928 122.348 120.400 0.034 0.000 2.219 122 K HA 0.248 4.559 4.320 -0.015 0.000 0.280 122 K C 0.029 176.655 176.600 0.044 0.000 1.104 122 K CA -0.111 56.196 56.287 0.033 0.000 0.925 122 K CB -0.055 32.466 32.500 0.036 0.000 1.261 122 K HN 0.436 nan 8.250 nan 0.000 0.445 123 T N -0.019 114.559 114.554 0.040 0.000 3.427 123 T HA 0.243 4.584 4.350 -0.015 0.000 0.306 123 T C -2.258 172.480 174.700 0.062 0.000 1.733 123 T CA -2.034 60.106 62.100 0.067 0.000 1.599 123 T CB 0.127 69.041 68.868 0.076 0.000 0.964 123 T HN 0.213 nan 8.240 nan 0.000 0.701 124 P HA 0.344 nan 4.420 nan 0.000 0.274 124 P C -0.548 176.765 177.300 0.022 0.000 1.231 124 P CA -0.774 62.332 63.100 0.010 0.000 0.790 124 P CB 1.020 32.727 31.700 0.012 0.000 0.951 125 L N 4.244 125.404 121.223 -0.105 0.000 2.262 125 L HA 0.457 4.788 4.340 -0.015 0.000 0.288 125 L C -2.437 174.279 176.870 -0.256 0.000 1.035 125 L CA -2.717 51.970 54.840 -0.255 0.000 0.820 125 L CB 0.701 42.556 42.059 -0.340 0.000 1.204 125 L HN 0.182 nan 8.230 nan 0.000 0.424 126 P HA 0.096 nan 4.420 nan 0.000 0.262 126 P C 0.208 177.386 177.300 -0.202 0.000 1.182 126 P CA 0.075 63.071 63.100 -0.173 0.000 0.761 126 P CB 0.424 32.038 31.700 -0.144 0.000 0.795 127 G N 3.374 112.100 108.800 -0.124 0.000 2.716 127 G HA2 -0.037 3.914 3.960 -0.015 0.000 0.251 127 G HA3 -0.037 3.914 3.960 -0.015 0.000 0.251 127 G C 1.164 175.958 174.900 -0.176 0.000 1.224 127 G CA -0.531 44.510 45.100 -0.099 0.000 0.891 127 G HN 0.407 nan 8.290 nan 0.000 0.561 128 R N -0.278 120.112 120.500 -0.184 0.000 2.091 128 R HA -0.121 4.209 4.340 -0.015 0.000 0.238 128 R C 2.998 178.887 176.300 -0.686 0.000 1.136 128 R CA 1.729 57.566 56.100 -0.437 0.000 0.959 128 R CB -0.446 29.732 30.300 -0.203 0.000 0.856 128 R HN 0.471 nan 8.270 nan 0.000 0.437 129 S N 0.811 116.346 115.700 -0.276 0.000 2.353 129 S HA -0.189 4.272 4.470 -0.015 0.000 0.222 129 S C 2.144 176.662 174.600 -0.137 0.000 1.035 129 S CA 1.416 59.533 58.200 -0.139 0.000 1.025 129 S CB -0.313 62.865 63.200 -0.037 0.000 0.902 129 S HN 0.515 nan 8.310 nan 0.000 0.440 130 A N 1.438 124.182 122.820 -0.127 0.000 1.933 130 A HA -0.101 4.209 4.320 -0.015 0.000 0.218 130 A C 2.152 179.666 177.584 -0.116 0.000 1.175 130 A CA 1.496 53.477 52.037 -0.094 0.000 0.628 130 A CB -0.465 18.490 19.000 -0.074 0.000 0.814 130 A HN 0.388 nan 8.150 nan 0.000 0.444 131 R N -1.295 119.091 120.500 -0.190 0.000 2.092 131 R HA -0.099 4.231 4.340 -0.015 0.000 0.231 131 R C 2.008 178.263 176.300 -0.074 0.000 1.119 131 R CA 1.722 57.727 56.100 -0.160 0.000 0.970 131 R CB -0.410 29.775 30.300 -0.193 0.000 0.864 131 R HN 0.818 nan 8.270 nan 0.000 0.440 132 H N -1.119 117.921 119.070 -0.049 0.000 2.428 132 H HA 0.031 4.578 4.556 -0.015 0.000 0.296 132 H C 1.946 177.231 175.328 -0.072 0.000 1.062 132 H CA 0.596 56.615 56.048 -0.048 0.000 1.350 132 H CB 0.119 29.872 29.762 -0.016 0.000 1.403 132 H HN 0.279 nan 8.280 nan 0.000 0.533 133 A N 1.112 123.953 122.820 0.034 0.000 1.968 133 A HA 0.023 4.334 4.320 -0.015 0.000 0.217 133 A C 2.450 179.999 177.584 -0.058 0.000 1.169 133 A CA 1.055 53.085 52.037 -0.011 0.000 0.638 133 A CB -0.563 18.428 19.000 -0.015 0.000 0.812 133 A HN 0.447 nan 8.150 nan 0.000 0.446 134 A N -0.241 122.526 122.820 -0.087 0.000 2.014 134 A HA 0.469 4.779 4.320 -0.015 0.000 0.218 134 A C 1.473 178.921 177.584 -0.228 0.000 1.163 134 A CA 0.885 52.844 52.037 -0.129 0.000 0.652 134 A CB -0.715 18.215 19.000 -0.116 0.000 0.808 134 A HN 0.987 nan 8.150 nan 0.000 0.449 135 A N 1.218 123.860 122.820 -0.295 0.000 2.396 135 A HA 0.465 4.776 4.320 -0.015 0.000 0.279 135 A C 0.372 177.801 177.584 -0.259 0.000 1.165 135 A CA -0.386 51.335 52.037 -0.526 0.000 0.824 135 A CB -0.286 18.379 19.000 -0.559 0.000 1.100 135 A HN 0.664 nan 8.150 nan 0.000 0.516 136 Q N 1.728 121.398 119.800 -0.217 0.000 2.299 136 Q HA 0.396 4.726 4.340 -0.015 0.000 0.246 136 Q C 0.388 176.340 176.000 -0.081 0.000 0.935 136 Q CA 0.056 55.791 55.803 -0.114 0.000 0.887 136 Q CB 0.488 29.163 28.738 -0.106 0.000 1.223 136 Q HN 0.616 nan 8.270 nan 0.000 0.439 137 T N -1.814 112.686 114.554 -0.090 0.000 3.100 137 T HA 0.045 4.386 4.350 -0.015 0.000 0.253 137 T C 0.937 175.518 174.700 -0.197 0.000 1.118 137 T CA 0.171 62.206 62.100 -0.108 0.000 1.058 137 T CB -0.087 68.749 68.868 -0.053 0.000 0.953 137 T HN 0.647 nan 8.240 nan 0.000 0.515 138 S N 0.896 116.479 115.700 -0.194 0.000 2.634 138 S HA 0.411 4.871 4.470 -0.015 0.000 0.261 138 S C -0.684 173.658 174.600 -0.429 0.000 1.271 138 S CA -0.713 57.361 58.200 -0.210 0.000 0.985 138 S CB 0.320 63.441 63.200 -0.131 0.000 0.968 138 S HN 0.509 nan 8.310 nan 0.000 0.568 139 H N 0.471 119.349 119.070 -0.321 0.000 2.622 139 H HA 0.620 5.167 4.556 -0.015 0.000 0.363 139 H C -2.339 172.776 175.328 -0.355 0.000 1.151 139 H CA -1.356 54.469 56.048 -0.371 0.000 1.184 139 H CB 1.501 30.973 29.762 -0.483 0.000 1.643 139 H HN 0.542 nan 8.280 nan 0.000 0.531 140 P HA 0.269 nan 4.420 nan 0.000 0.276 140 P C -0.291 176.762 177.300 -0.412 0.000 1.261 140 P CA -0.432 62.329 63.100 -0.564 0.000 0.800 140 P CB 1.984 32.819 31.700 -1.443 0.000 1.066 141 R N -0.796 119.521 120.500 -0.305 0.000 2.492 141 R HA 0.318 4.649 4.340 -0.015 0.000 0.219 141 R C 0.354 176.599 176.300 -0.092 0.000 0.886 141 R CA -0.177 55.805 56.100 -0.197 0.000 1.003 141 R CB 0.023 30.117 30.300 -0.342 0.000 1.345 141 R HN 0.283 nan 8.270 nan 0.000 0.631 142 L N 2.212 123.407 121.223 -0.047 0.000 2.315 142 L HA 0.042 4.373 4.340 -0.015 0.000 0.283 142 L C 0.415 177.588 176.870 0.506 0.000 1.089 142 L CA 0.104 54.926 54.840 -0.030 0.000 0.833 142 L CB 0.498 42.133 42.059 -0.707 0.000 1.170 142 L HN 0.328 nan 8.230 nan 0.000 0.442 143 W N 3.577 125.034 121.300 0.262 0.000 1.447 143 W HA -0.349 4.302 4.660 -0.015 0.000 0.276 143 W C -0.894 175.744 176.519 0.198 0.000 1.717 143 W CA 0.988 58.523 57.345 0.316 0.000 2.126 143 W CB -1.033 28.723 29.460 0.493 0.000 1.086 143 W HN 0.250 nan 8.180 nan 0.000 0.447 144 L N 2.476 123.652 121.223 -0.078 0.000 2.317 144 L HA 0.311 4.641 4.340 -0.015 0.000 0.281 144 L C 0.772 177.475 176.870 -0.279 0.000 1.024 144 L CA -0.423 54.155 54.840 -0.437 0.000 0.810 144 L CB 0.996 42.618 42.059 -0.729 0.000 1.240 144 L HN 0.333 nan 8.230 nan 0.000 0.427 145 N N 0.134 118.693 118.700 -0.236 0.000 2.366 145 N HA 0.100 4.831 4.740 -0.015 0.000 0.277 145 N C 0.839 176.190 175.510 -0.265 0.000 1.275 145 N CA -0.174 52.747 53.050 -0.215 0.000 0.964 145 N CB 0.346 38.758 38.487 -0.126 0.000 1.167 145 N HN 0.563 nan 8.380 nan 0.000 0.568 146 S N -0.977 114.590 115.700 -0.222 0.000 2.368 146 S HA -0.184 4.277 4.470 -0.015 0.000 0.225 146 S C 1.318 175.831 174.600 -0.146 0.000 1.030 146 S CA 1.062 59.143 58.200 -0.198 0.000 0.999 146 S CB -0.765 62.344 63.200 -0.152 0.000 0.844 146 S HN 0.672 nan 8.310 nan 0.000 0.459 147 E N 1.602 121.733 120.200 -0.115 0.000 2.038 147 E HA -0.199 4.142 4.350 -0.015 0.000 0.195 147 E C 2.517 179.074 176.600 -0.072 0.000 1.000 147 E CA 1.593 57.945 56.400 -0.080 0.000 0.803 147 E CB -0.291 29.371 29.700 -0.064 0.000 0.750 147 E HN 0.650 nan 8.360 nan 0.000 0.448 148 Q N 0.228 119.973 119.800 -0.091 0.000 2.124 148 Q HA -0.172 4.159 4.340 -0.015 0.000 0.202 148 Q C 2.312 178.265 176.000 -0.078 0.000 0.977 148 Q CA 0.887 56.654 55.803 -0.060 0.000 0.850 148 Q CB -0.125 28.543 28.738 -0.117 0.000 0.901 148 Q HN 0.182 nan 8.270 nan 0.000 0.429 149 L N 0.123 121.241 121.223 -0.175 0.000 2.046 149 L HA -0.159 4.172 4.340 -0.015 0.000 0.208 149 L C 2.275 179.124 176.870 -0.035 0.000 1.077 149 L CA 1.848 56.599 54.840 -0.149 0.000 0.747 149 L CB -0.791 41.106 42.059 -0.270 0.000 0.896 149 L HN 0.044 nan 8.230 nan 0.000 0.432 150 S N -0.840 114.828 115.700 -0.053 0.000 2.356 150 S HA -0.149 4.312 4.470 -0.015 0.000 0.223 150 S C 2.152 176.737 174.600 -0.024 0.000 1.032 150 S CA 1.201 59.378 58.200 -0.037 0.000 1.005 150 S CB -0.482 62.691 63.200 -0.046 0.000 0.867 150 S HN 0.679 nan 8.310 nan 0.000 0.449 151 A N 0.207 123.023 122.820 -0.007 0.000 1.908 151 A HA -0.045 4.266 4.320 -0.015 0.000 0.218 151 A C 1.984 179.554 177.584 -0.022 0.000 1.181 151 A CA 1.611 53.642 52.037 -0.010 0.000 0.627 151 A CB -1.006 18.010 19.000 0.025 0.000 0.818 151 A HN 0.637 nan 8.150 nan 0.000 0.445 152 F N 0.520 120.419 119.950 -0.086 0.000 2.146 152 F HA 0.003 4.521 4.527 -0.016 0.000 0.298 152 F C 2.558 178.244 175.800 -0.189 0.000 1.096 152 F CA 1.091 59.036 58.000 -0.092 0.000 1.275 152 F CB -0.216 38.755 39.000 -0.048 0.000 1.008 152 F HN 0.252 nan 8.300 nan 0.000 0.480 153 A N -0.186 122.636 122.820 0.004 0.000 1.898 153 A HA -0.170 4.140 4.320 -0.015 0.000 0.216 153 A C 1.942 179.433 177.584 -0.155 0.000 1.181 153 A CA 1.924 53.910 52.037 -0.085 0.000 0.620 153 A CB -0.883 18.102 19.000 -0.024 0.000 0.819 153 A HN 0.373 nan 8.150 nan 0.000 0.442 154 D N 0.220 120.535 120.400 -0.142 0.000 2.117 154 D HA -0.052 4.579 4.640 -0.015 0.000 0.197 154 D C 2.235 178.403 176.300 -0.221 0.000 0.987 154 D CA 1.576 55.489 54.000 -0.146 0.000 0.829 154 D CB -0.474 40.259 40.800 -0.112 0.000 0.961 154 D HN 0.415 nan 8.370 nan 0.000 0.460 155 A N 0.576 123.177 122.820 -0.364 0.000 1.902 155 A HA -0.122 4.189 4.320 -0.015 0.000 0.217 155 A C 2.508 179.822 177.584 -0.451 0.000 1.181 155 A CA 1.113 52.827 52.037 -0.538 0.000 0.623 155 A CB -0.762 17.544 19.000 -1.155 0.000 0.818 155 A HN 0.145 nan 8.150 nan 0.000 0.443 156 V N -0.114 119.511 119.914 -0.482 0.000 2.490 156 V HA -0.233 3.877 4.120 -0.015 0.000 0.250 156 V C 3.003 179.002 176.094 -0.157 0.000 1.061 156 V CA 1.744 63.854 62.300 -0.317 0.000 1.064 156 V CB -1.049 30.477 31.823 -0.493 0.000 0.670 156 V HN 0.620 nan 8.190 nan 0.000 0.461 157 A N -0.131 122.598 122.820 -0.152 0.000 1.933 157 A HA -0.240 4.070 4.320 -0.015 0.000 0.218 157 A C 2.278 179.825 177.584 -0.062 0.000 1.175 157 A CA 2.036 54.023 52.037 -0.083 0.000 0.628 157 A CB -0.315 18.639 19.000 -0.076 0.000 0.814 157 A HN 0.569 nan 8.150 nan 0.000 0.444 158 K N -1.279 119.072 120.400 -0.083 0.000 2.098 158 K HA 0.005 4.316 4.320 -0.015 0.000 0.203 158 K C -0.149 176.431 176.600 -0.032 0.000 1.051 158 K CA 1.061 57.314 56.287 -0.056 0.000 0.957 158 K CB 0.198 32.656 32.500 -0.069 0.000 0.738 158 K HN 0.353 nan 8.250 nan 0.000 0.447 159 D N -0.372 120.007 120.400 -0.036 0.000 2.476 159 D HA 0.127 4.758 4.640 -0.015 0.000 0.251 159 D C -2.282 174.049 176.300 0.052 0.000 1.291 159 D CA -2.360 51.650 54.000 0.016 0.000 0.939 159 D CB 1.659 42.480 40.800 0.036 0.000 1.221 159 D HN -0.174 nan 8.370 nan 0.000 0.567 160 P HA -0.017 nan 4.420 nan 0.000 0.239 160 P C 0.174 177.634 177.300 0.266 0.000 1.184 160 P CA 0.563 63.777 63.100 0.190 0.000 0.760 160 P CB 0.248 32.041 31.700 0.154 0.000 0.884 161 N N -1.713 117.097 118.700 0.184 0.000 2.336 161 N HA -0.035 4.695 4.740 -0.015 0.000 0.189 161 N C 0.537 176.161 175.510 0.191 0.000 1.113 161 N CA -0.236 52.921 53.050 0.179 0.000 0.858 161 N CB -0.673 37.881 38.487 0.112 0.000 0.970 161 N HN 0.247 nan 8.380 nan 0.000 0.471 162 H N 0.190 119.303 119.070 0.071 0.000 3.125 162 H HA -0.017 4.529 4.556 -0.015 0.000 0.310 162 H C 0.478 175.865 175.328 0.098 0.000 0.980 162 H CA 0.089 56.134 56.048 -0.006 0.000 1.422 162 H CB 0.119 29.763 29.762 -0.197 0.000 1.432 162 H HN 0.175 nan 8.280 nan 0.000 0.577 163 C N 4.040 123.172 119.300 -0.279 0.000 4.274 163 C HA -0.179 4.272 4.460 -0.015 0.000 0.297 163 C C 1.641 176.771 174.990 0.233 0.000 1.446 163 C CA 1.336 60.368 59.018 0.024 0.000 2.016 163 C CB -2.448 25.466 27.740 0.289 0.000 1.273 163 C HN 1.453 nan 8.230 nan 0.000 0.782 164 G N -0.900 108.018 108.800 0.197 0.000 2.249 164 G HA2 -0.390 3.561 3.960 -0.015 0.000 0.273 164 G HA3 -0.390 3.561 3.960 -0.015 0.000 0.273 164 G C 0.754 175.854 174.900 0.333 0.000 1.036 164 G CA 0.650 45.881 45.100 0.219 0.000 0.824 164 G HN 1.061 nan 8.290 nan 0.000 0.504 165 W N -0.111 121.344 121.300 0.258 0.000 2.335 165 W HA -0.121 4.530 4.660 -0.016 0.000 0.311 165 W C 2.110 178.836 176.519 0.345 0.000 1.213 165 W CA 2.182 59.750 57.345 0.372 0.000 1.274 165 W CB -0.640 29.029 29.460 0.347 0.000 1.148 165 W HN 0.625 nan 8.180 nan 0.000 0.498 166 A N 0.423 123.325 122.820 0.136 0.000 1.933 166 A HA -0.275 4.036 4.320 -0.015 0.000 0.218 166 A C 1.974 179.547 177.584 -0.019 0.000 1.175 166 A CA 1.930 53.967 52.037 -0.000 0.000 0.628 166 A CB -1.114 17.936 19.000 0.083 0.000 0.814 166 A HN 0.523 nan 8.150 nan 0.000 0.444 167 E N -1.346 118.877 120.200 0.037 0.000 2.077 167 E HA -0.200 4.141 4.350 -0.015 0.000 0.193 167 E C 1.772 178.362 176.600 -0.017 0.000 0.989 167 E CA 1.359 57.774 56.400 0.024 0.000 0.800 167 E CB -0.230 29.510 29.700 0.067 0.000 0.746 167 E HN 0.630 nan 8.360 nan 0.000 0.452 168 F N 0.326 120.174 119.950 -0.169 0.000 2.134 168 F HA -0.225 4.293 4.527 -0.016 0.000 0.299 168 F C 2.114 177.674 175.800 -0.400 0.000 1.097 168 F CA 1.571 59.407 58.000 -0.273 0.000 1.264 168 F CB -0.614 38.236 39.000 -0.250 0.000 1.001 168 F HN 0.096 nan 8.300 nan 0.000 0.479 169 Y N 1.130 120.985 120.300 -0.741 0.000 2.145 169 Y HA -0.230 4.310 4.550 -0.016 0.000 0.286 169 Y C 2.662 178.291 175.900 -0.452 0.000 1.145 169 Y CA 2.341 60.011 58.100 -0.717 0.000 1.148 169 Y CB -0.698 37.378 38.460 -0.641 0.000 0.981 169 Y HN 0.273 nan 8.280 nan 0.000 0.507 170 E N 0.109 120.216 120.200 -0.155 0.000 2.077 170 E HA -0.239 4.102 4.350 -0.015 0.000 0.193 170 E C 1.839 178.279 176.600 -0.267 0.000 0.989 170 E CA 1.688 58.003 56.400 -0.141 0.000 0.800 170 E CB -0.008 29.659 29.700 -0.055 0.000 0.746 170 E HN 0.534 nan 8.360 nan 0.000 0.452 171 K N -0.789 119.428 120.400 -0.305 0.000 2.166 171 K HA 0.102 4.413 4.320 -0.015 0.000 0.201 171 K C 1.869 178.230 176.600 -0.397 0.000 1.052 171 K CA 0.931 57.042 56.287 -0.294 0.000 0.969 171 K CB 0.358 32.740 32.500 -0.197 0.000 0.761 171 K HN -0.104 nan 8.250 nan 0.000 0.459 172 S N -0.310 115.021 115.700 -0.614 0.000 2.559 172 S HA 0.107 4.567 4.470 -0.015 0.000 0.226 172 S C 1.452 175.756 174.600 -0.493 0.000 1.030 172 S CA -0.211 57.612 58.200 -0.627 0.000 0.956 172 S CB 0.878 63.439 63.200 -1.065 0.000 0.900 172 S HN -0.048 nan 8.310 nan 0.000 0.510 173 V N 1.268 120.765 119.914 -0.695 0.000 2.743 173 V HA 0.131 4.242 4.120 -0.015 0.000 0.237 173 V C 2.079 177.887 176.094 -0.477 0.000 1.113 173 V CA 0.684 62.675 62.300 -0.516 0.000 1.141 173 V CB -0.360 30.998 31.823 -0.775 0.000 0.873 173 V HN 0.278 nan 8.190 nan 0.000 0.486 174 E N 0.538 120.326 120.200 -0.685 0.000 2.070 174 E HA -0.208 4.133 4.350 -0.015 0.000 0.197 174 E C -0.543 175.849 176.600 -0.347 0.000 1.004 174 E CA 1.908 58.025 56.400 -0.471 0.000 0.805 174 E CB -0.941 28.537 29.700 -0.370 0.000 0.744 174 E HN 0.502 nan 8.360 nan 0.000 0.451 175 P HA -0.165 nan 4.420 nan 0.000 0.223 175 P C 0.050 176.985 177.300 -0.608 0.000 1.144 175 P CA 1.149 63.885 63.100 -0.606 0.000 0.783 175 P CB -0.196 30.981 31.700 -0.871 0.000 0.771 176 W N -2.064 119.159 121.300 -0.128 0.000 3.114 176 W HA 0.269 4.919 4.660 -0.016 0.000 0.279 176 W C 1.808 178.329 176.519 0.002 0.000 1.277 176 W CA -0.430 56.859 57.345 -0.094 0.000 1.630 176 W CB -0.692 28.609 29.460 -0.266 0.000 1.087 176 W HN -0.147 nan 8.180 nan 0.000 0.637 177 L N 1.203 122.494 121.223 0.114 0.000 2.046 177 L HA -0.212 4.119 4.340 -0.015 0.000 0.208 177 L C 2.820 179.772 176.870 0.136 0.000 1.077 177 L CA 1.670 56.579 54.840 0.115 0.000 0.747 177 L CB -0.407 41.678 42.059 0.043 0.000 0.896 177 L HN 0.033 nan 8.230 nan 0.000 0.432 178 E N 0.369 120.624 120.200 0.092 0.000 2.472 178 E HA -0.088 4.252 4.350 -0.015 0.000 0.196 178 E C 0.876 177.550 176.600 0.123 0.000 1.033 178 E CA -0.131 56.320 56.400 0.085 0.000 0.886 178 E CB 0.039 29.758 29.700 0.031 0.000 0.944 178 E HN 0.276 nan 8.360 nan 0.000 0.492 179 R N 2.292 122.912 120.500 0.199 0.000 2.401 179 R HA 0.216 4.546 4.340 -0.015 0.000 0.299 179 R C -2.189 174.308 176.300 0.328 0.000 1.064 179 R CA -1.438 54.831 56.100 0.283 0.000 1.000 179 R CB 0.361 30.914 30.300 0.422 0.000 0.973 179 R HN -0.078 nan 8.270 nan 0.000 0.438 180 P HA -0.076 nan 4.420 nan 0.000 0.268 180 P C -0.715 176.486 177.300 -0.165 0.000 1.205 180 P CA -0.340 62.773 63.100 0.022 0.000 0.771 180 P CB 0.774 32.474 31.700 0.001 0.000 0.858 181 V N 4.715 124.309 119.914 -0.533 0.000 2.644 181 V HA -0.077 4.034 4.120 -0.015 0.000 0.305 181 V C 0.501 176.186 176.094 -0.681 0.000 1.053 181 V CA -0.066 61.476 62.300 -1.263 0.000 1.186 181 V CB -0.086 31.118 31.823 -1.032 0.000 0.895 181 V HN 0.503 nan 8.190 nan 0.000 0.490 182 M N 11.607 130.803 119.600 -0.673 0.000 2.303 182 M HA 0.307 4.778 4.480 -0.015 0.000 0.350 182 M C -2.069 174.289 176.300 0.097 0.000 1.518 182 M CA -1.085 54.209 55.300 -0.009 0.000 1.070 182 M CB 0.342 33.150 32.600 0.347 0.000 1.910 182 M HN 0.521 nan 8.290 nan 0.000 0.458 183 P HA 0.028 nan 4.420 nan 0.000 0.271 183 P C -1.039 176.117 177.300 -0.240 0.000 1.218 183 P CA -0.156 62.912 63.100 -0.053 0.000 0.780 183 P CB 0.324 31.968 31.700 -0.092 0.000 0.901 184 E N 3.170 123.074 120.200 -0.494 0.000 2.415 184 E HA 0.066 4.407 4.350 -0.015 0.000 0.260 184 E C -1.836 174.290 176.600 -0.789 0.000 1.016 184 E CA -1.541 54.105 56.400 -1.257 0.000 0.924 184 E CB -0.271 28.730 29.700 -1.165 0.000 0.961 184 E HN 0.269 nan 8.360 nan 0.000 0.459 185 P HA -0.068 nan 4.420 nan 0.000 0.264 185 P C -0.935 176.114 177.300 -0.419 0.000 1.183 185 P CA 0.333 63.147 63.100 -0.477 0.000 0.763 185 P CB 0.519 31.966 31.700 -0.421 0.000 0.807 186 Q N 3.439 123.061 119.800 -0.297 0.000 2.235 186 Q HA 0.389 4.720 4.340 -0.015 0.000 0.256 186 Q C -2.085 173.744 176.000 -0.285 0.000 0.951 186 Q CA -1.983 53.657 55.803 -0.272 0.000 0.890 186 Q CB 0.402 29.031 28.738 -0.182 0.000 1.279 186 Q HN 0.324 nan 8.270 nan 0.000 0.444 187 P HA -0.046 nan 4.420 nan 0.000 0.267 187 P C -0.853 176.388 177.300 -0.098 0.000 1.201 187 P CA 0.201 63.071 63.100 -0.383 0.000 0.775 187 P CB 0.158 31.648 31.700 -0.351 0.000 0.854 188 Y N 2.094 122.527 120.300 0.221 0.000 2.597 188 Y HA 0.010 4.551 4.550 -0.015 0.000 0.336 188 Y C -0.830 175.117 175.900 0.077 0.000 1.216 188 Y CA -1.643 56.537 58.100 0.134 0.000 1.463 188 Y CB -1.330 37.210 38.460 0.133 0.000 1.303 188 Y HN 0.496 nan 8.280 nan 0.000 0.576 189 P HA -0.279 nan 4.420 nan 0.000 0.222 189 P C 0.351 177.707 177.300 0.093 0.000 1.157 189 P CA 2.096 65.260 63.100 0.106 0.000 0.905 189 P CB 0.273 32.021 31.700 0.081 0.000 0.792 190 N N -3.096 115.672 118.700 0.114 0.000 2.197 190 N HA 0.067 4.798 4.740 -0.015 0.000 0.228 190 N C -0.078 175.503 175.510 0.118 0.000 1.212 190 N CA -0.152 52.951 53.050 0.088 0.000 0.883 190 N CB 0.092 38.611 38.487 0.054 0.000 1.107 190 N HN -0.029 nan 8.380 nan 0.000 0.519 191 N N 0.006 118.828 118.700 0.203 0.000 2.900 191 N HA -0.134 4.596 4.740 -0.015 0.000 0.240 191 N C -0.786 174.850 175.510 0.210 0.000 0.953 191 N CA 1.210 54.421 53.050 0.269 0.000 0.950 191 N CB -1.626 36.980 38.487 0.198 0.000 1.102 191 N HN 0.204 nan 8.380 nan 0.000 0.593 192 T N 1.036 115.667 114.554 0.128 0.000 2.737 192 T HA 0.140 4.481 4.350 -0.015 0.000 0.296 192 T C 0.749 175.375 174.700 -0.123 0.000 0.922 192 T CA -0.457 61.647 62.100 0.008 0.000 1.079 192 T CB 1.235 70.095 68.868 -0.012 0.000 0.892 192 T HN 0.156 nan 8.240 nan 0.000 0.514 193 R N 3.235 123.574 120.500 -0.268 0.000 2.370 193 R HA 0.337 4.668 4.340 -0.015 0.000 0.309 193 R C -0.885 175.149 176.300 -0.443 0.000 1.059 193 R CA -0.230 55.473 56.100 -0.661 0.000 0.981 193 R CB 0.183 30.189 30.300 -0.490 0.000 0.972 193 R HN 0.415 nan 8.270 nan 0.000 0.437 194 V N 4.594 124.228 119.914 -0.466 0.000 2.483 194 V HA 0.273 4.383 4.120 -0.015 0.000 0.295 194 V C 1.128 177.145 176.094 -0.128 0.000 1.035 194 V CA -0.242 61.927 62.300 -0.219 0.000 0.896 194 V CB 1.491 33.239 31.823 -0.126 0.000 0.986 194 V HN 1.026 nan 8.190 nan 0.000 0.447 195 A N 3.025 125.815 122.820 -0.051 0.000 2.076 195 A HA -0.116 4.194 4.320 -0.015 0.000 0.220 195 A C 2.029 179.744 177.584 0.219 0.000 1.160 195 A CA 2.359 54.451 52.037 0.091 0.000 0.653 195 A CB -0.575 18.461 19.000 0.059 0.000 0.801 195 A HN 0.882 nan 8.150 nan 0.000 0.455 196 T N 0.619 115.238 114.554 0.109 0.000 2.770 196 T HA -0.053 4.288 4.350 -0.015 0.000 0.263 196 T C 1.570 176.312 174.700 0.070 0.000 1.039 196 T CA 1.607 63.762 62.100 0.093 0.000 1.142 196 T CB -0.404 68.497 68.868 0.055 0.000 0.868 196 T HN 0.502 nan 8.240 nan 0.000 0.435 197 L N -1.259 120.008 121.223 0.073 0.000 2.509 197 L HA 0.396 4.726 4.340 -0.015 0.000 0.222 197 L C 1.995 178.974 176.870 0.182 0.000 1.123 197 L CA 0.017 54.912 54.840 0.092 0.000 0.856 197 L CB -1.345 40.793 42.059 0.132 0.000 0.985 197 L HN 0.279 nan 8.230 nan 0.000 0.456 198 W N 1.561 122.864 121.300 0.004 0.000 2.381 198 W HA -0.069 4.582 4.660 -0.016 0.000 0.301 198 W C 2.788 179.327 176.519 0.035 0.000 1.205 198 W CA 1.397 58.800 57.345 0.097 0.000 1.285 198 W CB -0.014 29.459 29.460 0.022 0.000 1.133 198 W HN 0.064 nan 8.180 nan 0.000 0.521 199 R N 0.144 120.563 120.500 -0.135 0.000 2.066 199 R HA -0.213 4.118 4.340 -0.015 0.000 0.232 199 R C 2.327 178.050 176.300 -0.961 0.000 1.131 199 R CA 1.917 57.577 56.100 -0.733 0.000 0.955 199 R CB -0.614 29.566 30.300 -0.200 0.000 0.851 199 R HN 0.153 nan 8.270 nan 0.000 0.432 200 Q N 0.648 120.146 119.800 -0.502 0.000 2.135 200 Q HA -0.187 4.144 4.340 -0.015 0.000 0.204 200 Q C 1.956 177.701 176.000 -0.426 0.000 0.981 200 Q CA 1.992 57.522 55.803 -0.455 0.000 0.856 200 Q CB -0.191 28.410 28.738 -0.227 0.000 0.902 200 Q HN 0.385 nan 8.270 nan 0.000 0.425 201 M N -0.800 118.596 119.600 -0.340 0.000 2.132 201 M HA -0.178 4.293 4.480 -0.015 0.000 0.263 201 M C 1.730 177.859 176.300 -0.284 0.000 1.065 201 M CA 1.783 56.938 55.300 -0.241 0.000 1.122 201 M CB -0.222 32.323 32.600 -0.092 0.000 1.365 201 M HN 0.461 nan 8.290 nan 0.000 0.411 202 Y N -0.847 119.198 120.300 -0.426 0.000 2.395 202 Y HA 0.110 4.651 4.550 -0.016 0.000 0.293 202 Y C 1.573 177.181 175.900 -0.486 0.000 1.123 202 Y CA 0.579 58.391 58.100 -0.480 0.000 1.227 202 Y CB -1.184 36.887 38.460 -0.649 0.000 1.012 202 Y HN 0.181 nan 8.280 nan 0.000 0.552 203 I N 1.104 121.228 120.570 -0.744 0.000 2.226 203 I HA -0.263 3.898 4.170 -0.015 0.000 0.245 203 I C 1.901 177.826 176.117 -0.319 0.000 1.100 203 I CA 1.653 62.617 61.300 -0.560 0.000 1.374 203 I CB -0.405 37.156 38.000 -0.732 0.000 1.057 203 I HN 0.167 nan 8.210 nan 0.000 0.413 204 D N 0.384 120.631 120.400 -0.255 0.000 2.123 204 D HA -0.189 4.442 4.640 -0.015 0.000 0.196 204 D C 2.250 178.514 176.300 -0.060 0.000 0.992 204 D CA 1.378 55.319 54.000 -0.099 0.000 0.833 204 D CB -0.398 40.348 40.800 -0.091 0.000 0.954 204 D HN 0.385 nan 8.370 nan 0.000 0.455 205 C N 0.641 119.879 119.300 -0.104 0.000 2.446 205 C HA -0.013 4.438 4.460 -0.015 0.000 0.279 205 C C 2.590 177.419 174.990 -0.269 0.000 1.366 205 C CA 0.054 59.027 59.018 -0.074 0.000 1.763 205 C CB -0.484 27.232 27.740 -0.040 0.000 1.929 205 C HN 0.335 nan 8.230 nan 0.000 0.509 206 Q N 1.003 120.563 119.800 -0.399 0.000 2.079 206 Q HA -0.139 4.192 4.340 -0.015 0.000 0.200 206 Q C 2.047 177.457 176.000 -0.983 0.000 0.974 206 Q CA 1.437 56.815 55.803 -0.709 0.000 0.840 206 Q CB -0.387 27.912 28.738 -0.732 0.000 0.898 206 Q HN 0.706 nan 8.270 nan 0.000 0.430 207 E N -0.203 119.644 120.200 -0.587 0.000 2.153 207 E HA -0.122 4.219 4.350 -0.015 0.000 0.194 207 E C 2.056 178.207 176.600 -0.750 0.000 0.988 207 E CA 0.891 57.016 56.400 -0.458 0.000 0.811 207 E CB 0.104 29.864 29.700 0.101 0.000 0.746 207 E HN 0.092 nan 8.360 nan 0.000 0.466 208 V N 1.424 121.068 119.914 -0.450 0.000 2.427 208 V HA -0.238 3.872 4.120 -0.015 0.000 0.248 208 V C 2.173 177.917 176.094 -0.582 0.000 1.051 208 V CA 1.320 63.395 62.300 -0.375 0.000 1.048 208 V CB -0.309 31.453 31.823 -0.102 0.000 0.666 208 V HN 0.255 nan 8.190 nan 0.000 0.456 209 I N -1.064 119.122 120.570 -0.640 0.000 2.142 209 I HA -0.268 3.892 4.170 -0.015 0.000 0.240 209 I C 2.485 178.088 176.117 -0.856 0.000 1.078 209 I CA 1.832 62.736 61.300 -0.659 0.000 1.343 209 I CB -0.535 37.075 38.000 -0.649 0.000 1.046 209 I HN 0.260 nan 8.210 nan 0.000 0.405 210 Y N 1.018 120.697 120.300 -1.035 0.000 2.097 210 Y HA -0.233 4.308 4.550 -0.015 0.000 0.282 210 Y C 2.706 177.593 175.900 -1.689 0.000 1.152 210 Y CA 0.737 57.961 58.100 -1.461 0.000 1.136 210 Y CB -1.576 36.314 38.460 -0.951 0.000 0.975 210 Y HN 0.134 nan 8.280 nan 0.000 0.498 211 A N 0.639 122.318 122.820 -1.902 0.000 1.849 211 A HA -0.215 4.095 4.320 -0.015 0.000 0.217 211 A C 2.394 179.294 177.584 -1.140 0.000 1.202 211 A CA 2.272 53.150 52.037 -1.932 0.000 0.629 211 A CB -1.281 16.095 19.000 -2.707 0.000 0.834 211 A HN 0.423 nan 8.150 nan 0.000 0.447 212 I N -1.180 118.863 120.570 -0.878 0.000 2.127 212 I HA -0.292 3.869 4.170 -0.015 0.000 0.241 212 I C 2.822 178.720 176.117 -0.365 0.000 1.075 212 I CA 2.045 63.076 61.300 -0.449 0.000 1.334 212 I CB -0.374 37.470 38.000 -0.260 0.000 1.040 212 I HN 0.406 nan 8.210 nan 0.000 0.405 213 R N 0.262 120.455 120.500 -0.512 0.000 2.066 213 R HA -0.157 4.174 4.340 -0.015 0.000 0.232 213 R C 2.373 178.447 176.300 -0.377 0.000 1.131 213 R CA 1.727 57.514 56.100 -0.522 0.000 0.955 213 R CB -0.313 29.421 30.300 -0.942 0.000 0.851 213 R HN 0.497 nan 8.270 nan 0.000 0.432 214 H N -0.212 118.605 119.070 -0.422 0.000 2.363 214 H HA -0.048 4.499 4.556 -0.015 0.000 0.301 214 H C 2.199 177.474 175.328 -0.088 0.000 1.074 214 H CA 1.203 57.125 56.048 -0.210 0.000 1.354 214 H CB 0.067 29.687 29.762 -0.238 0.000 1.397 214 H HN 0.162 nan 8.280 nan 0.000 0.516 215 L N 0.448 121.634 121.223 -0.063 0.000 2.093 215 L HA -0.139 4.192 4.340 -0.015 0.000 0.208 215 L C 2.847 179.767 176.870 0.082 0.000 1.085 215 L CA 0.717 55.561 54.840 0.007 0.000 0.755 215 L CB -0.360 41.654 42.059 -0.076 0.000 0.904 215 L HN 0.330 nan 8.230 nan 0.000 0.435 216 A N 0.148 122.990 122.820 0.036 0.000 1.898 216 A HA -0.170 4.141 4.320 -0.015 0.000 0.216 216 A C 2.144 179.870 177.584 0.237 0.000 1.181 216 A CA 1.508 53.622 52.037 0.130 0.000 0.620 216 A CB -0.519 18.563 19.000 0.136 0.000 0.819 216 A HN 0.235 nan 8.150 nan 0.000 0.442 217 I N 0.135 120.765 120.570 0.100 0.000 2.179 217 I HA -0.223 3.937 4.170 -0.015 0.000 0.242 217 I C 2.873 179.268 176.117 0.464 0.000 1.088 217 I CA 1.457 62.833 61.300 0.127 0.000 1.357 217 I CB -0.473 37.519 38.000 -0.014 0.000 1.051 217 I HN 0.306 nan 8.210 nan 0.000 0.409 218 A N 0.089 123.255 122.820 0.576 0.000 1.969 218 A HA -0.071 4.240 4.320 -0.015 0.000 0.218 218 A C 2.464 180.334 177.584 0.478 0.000 1.169 218 A CA 1.692 54.184 52.037 0.758 0.000 0.635 218 A CB -1.485 17.937 19.000 0.704 0.000 0.810 218 A HN 0.455 nan 8.150 nan 0.000 0.445 219 G N -0.722 108.274 108.800 0.326 0.000 2.402 219 G HA2 -0.185 3.766 3.960 -0.015 0.000 0.216 219 G HA3 -0.185 3.766 3.960 -0.015 0.000 0.216 219 G C 1.681 176.698 174.900 0.195 0.000 1.162 219 G CA 0.622 45.850 45.100 0.213 0.000 0.777 219 G HN 0.387 nan 8.290 nan 0.000 0.539 220 R N -0.006 120.652 120.500 0.264 0.000 2.119 220 R HA 0.117 4.447 4.340 -0.015 0.000 0.222 220 R C 2.590 179.003 176.300 0.188 0.000 1.088 220 R CA 0.394 56.639 56.100 0.242 0.000 0.984 220 R CB -0.886 29.639 30.300 0.375 0.000 0.884 220 R HN 0.362 nan 8.270 nan 0.000 0.447 221 V N 1.083 121.116 119.914 0.200 0.000 2.407 221 V HA -0.096 4.015 4.120 -0.015 0.000 0.245 221 V C 2.033 178.119 176.094 -0.012 0.000 1.041 221 V CA 1.303 63.624 62.300 0.036 0.000 1.040 221 V CB -0.187 31.486 31.823 -0.250 0.000 0.671 221 V HN 0.158 nan 8.190 nan 0.000 0.455 222 L N 0.340 121.616 121.223 0.087 0.000 2.592 222 L HA 0.362 4.693 4.340 -0.015 0.000 0.227 222 L C 1.547 178.467 176.870 0.083 0.000 1.127 222 L CA 0.633 55.527 54.840 0.091 0.000 0.884 222 L CB -0.507 41.667 42.059 0.193 0.000 1.065 222 L HN 0.485 nan 8.230 nan 0.000 0.457 223 G N 1.618 110.469 108.800 0.084 0.000 2.356 223 G HA2 -0.323 3.627 3.960 -0.015 0.000 0.296 223 G HA3 -0.323 3.627 3.960 -0.015 0.000 0.296 223 G C 0.180 175.129 174.900 0.082 0.000 1.022 223 G CA 0.156 45.300 45.100 0.073 0.000 0.961 223 G HN 0.441 nan 8.290 nan 0.000 0.510 224 R N -0.371 120.191 120.500 0.103 0.000 2.288 224 R HA 0.330 4.661 4.340 -0.015 0.000 0.326 224 R C 0.205 176.556 176.300 0.085 0.000 0.959 224 R CA -0.800 55.363 56.100 0.106 0.000 0.834 224 R CB 0.855 31.240 30.300 0.143 0.000 1.157 224 R HN 0.076 nan 8.270 nan 0.000 0.470 225 D N 1.338 121.789 120.400 0.086 0.000 2.264 225 D HA -0.176 4.454 4.640 -0.015 0.000 0.208 225 D C 1.431 177.790 176.300 0.098 0.000 0.966 225 D CA 1.236 55.291 54.000 0.093 0.000 0.864 225 D CB 0.214 41.113 40.800 0.164 0.000 0.933 225 D HN 0.598 nan 8.370 nan 0.000 0.499 226 D N 0.410 120.874 120.400 0.106 0.000 2.219 226 D HA -0.147 4.484 4.640 -0.015 0.000 0.205 226 D C 1.998 178.370 176.300 0.120 0.000 0.970 226 D CA 0.547 54.616 54.000 0.115 0.000 0.851 226 D CB -0.428 40.440 40.800 0.113 0.000 0.943 226 D HN 0.274 nan 8.370 nan 0.000 0.488 227 L N -0.177 121.116 121.223 0.118 0.000 2.162 227 L HA 0.027 4.358 4.340 -0.015 0.000 0.205 227 L C 2.792 179.708 176.870 0.076 0.000 1.086 227 L CA 0.298 55.214 54.840 0.127 0.000 0.778 227 L CB -0.269 41.899 42.059 0.181 0.000 0.928 227 L HN -0.047 nan 8.230 nan 0.000 0.446 228 L N -0.359 120.855 121.223 -0.016 0.000 2.083 228 L HA -0.204 4.127 4.340 -0.015 0.000 0.209 228 L C 2.155 178.991 176.870 -0.058 0.000 1.083 228 L CA 1.013 55.738 54.840 -0.192 0.000 0.752 228 L CB -0.572 41.062 42.059 -0.708 0.000 0.899 228 L HN 0.264 nan 8.230 nan 0.000 0.433 229 D N 0.227 120.682 120.400 0.091 0.000 2.117 229 D HA -0.121 4.510 4.640 -0.015 0.000 0.198 229 D C 2.265 178.672 176.300 0.179 0.000 0.982 229 D CA 1.467 55.596 54.000 0.215 0.000 0.828 229 D CB -0.004 40.920 40.800 0.207 0.000 0.967 229 D HN 0.299 nan 8.370 nan 0.000 0.464 230 A N 0.491 123.415 122.820 0.172 0.000 1.933 230 A HA -0.152 4.159 4.320 -0.015 0.000 0.218 230 A C 2.331 180.105 177.584 0.316 0.000 1.175 230 A CA 1.941 54.121 52.037 0.238 0.000 0.628 230 A CB -0.578 18.556 19.000 0.224 0.000 0.814 230 A HN 0.217 nan 8.150 nan 0.000 0.444 231 S N -0.650 115.156 115.700 0.178 0.000 2.355 231 S HA -0.190 4.271 4.470 -0.015 0.000 0.222 231 S C 2.230 176.936 174.600 0.176 0.000 1.031 231 S CA 1.468 59.737 58.200 0.116 0.000 0.993 231 S CB -0.371 62.857 63.200 0.046 0.000 0.859 231 S HN 0.630 nan 8.310 nan 0.000 0.453 232 R N 0.789 121.393 120.500 0.174 0.000 2.096 232 R HA -0.059 4.271 4.340 -0.015 0.000 0.235 232 R C 2.455 178.838 176.300 0.138 0.000 1.127 232 R CA 1.645 57.845 56.100 0.166 0.000 0.968 232 R CB -0.292 30.136 30.300 0.214 0.000 0.861 232 R HN 0.364 nan 8.270 nan 0.000 0.440 233 K N -0.433 120.059 120.400 0.153 0.000 2.063 233 K HA -0.195 4.116 4.320 -0.015 0.000 0.208 233 K C 1.740 178.358 176.600 0.030 0.000 1.048 233 K CA 1.956 58.288 56.287 0.075 0.000 0.928 233 K CB -0.198 32.339 32.500 0.061 0.000 0.713 233 K HN 0.238 nan 8.250 nan 0.000 0.442 234 W N 0.777 122.046 121.300 -0.052 0.000 2.379 234 W HA -0.146 4.505 4.660 -0.015 0.000 0.307 234 W C 2.005 178.416 176.519 -0.180 0.000 1.200 234 W CA 0.463 57.739 57.345 -0.116 0.000 1.297 234 W CB -0.687 28.689 29.460 -0.141 0.000 1.140 234 W HN 0.140 nan 8.180 nan 0.000 0.507 235 L N 0.241 121.532 121.223 0.113 0.000 2.012 235 L HA -0.177 4.154 4.340 -0.015 0.000 0.210 235 L C 2.098 178.931 176.870 -0.061 0.000 1.073 235 L CA 1.948 56.791 54.840 0.005 0.000 0.748 235 L CB -1.083 41.012 42.059 0.060 0.000 0.891 235 L HN 0.001 nan 8.230 nan 0.000 0.431 236 L N -0.878 120.328 121.223 -0.028 0.000 2.141 236 L HA -0.127 4.204 4.340 -0.015 0.000 0.209 236 L C 2.624 179.432 176.870 -0.104 0.000 1.094 236 L CA 0.949 55.760 54.840 -0.048 0.000 0.763 236 L CB -0.887 41.164 42.059 -0.013 0.000 0.908 236 L HN 0.383 nan 8.230 nan 0.000 0.437 237 A N -0.266 122.471 122.820 -0.138 0.000 1.898 237 A HA -0.120 4.191 4.320 -0.015 0.000 0.216 237 A C 2.312 179.623 177.584 -0.455 0.000 1.181 237 A CA 1.559 53.491 52.037 -0.175 0.000 0.620 237 A CB -0.692 18.216 19.000 -0.153 0.000 0.819 237 A HN 0.174 nan 8.150 nan 0.000 0.442 238 V N -0.139 119.347 119.914 -0.713 0.000 2.427 238 V HA -0.184 3.927 4.120 -0.015 0.000 0.248 238 V C 2.974 178.648 176.094 -0.699 0.000 1.051 238 V CA 1.694 63.191 62.300 -1.337 0.000 1.048 238 V CB -1.108 30.106 31.823 -1.016 0.000 0.666 238 V HN 0.587 nan 8.190 nan 0.000 0.456 239 A N -0.148 122.465 122.820 -0.346 0.000 2.125 239 A HA 0.008 4.319 4.320 -0.015 0.000 0.219 239 A C 2.203 179.732 177.584 -0.092 0.000 1.156 239 A CA 1.725 53.664 52.037 -0.164 0.000 0.671 239 A CB -0.425 18.518 19.000 -0.095 0.000 0.794 239 A HN 0.574 nan 8.150 nan 0.000 0.459 240 A N -1.774 120.989 122.820 -0.095 0.000 2.195 240 A HA 0.281 4.591 4.320 -0.015 0.000 0.210 240 A C 0.351 178.031 177.584 0.160 0.000 1.165 240 A CA -0.414 51.636 52.037 0.022 0.000 0.806 240 A CB -0.275 18.741 19.000 0.026 0.000 0.847 240 A HN 0.523 nan 8.150 nan 0.000 0.482 241 W N 0.825 122.095 121.300 -0.049 0.000 2.148 241 W HA 0.239 4.890 4.660 -0.016 0.000 0.347 241 W C 0.055 176.535 176.519 -0.065 0.000 1.288 241 W CA -0.854 56.452 57.345 -0.065 0.000 1.252 241 W CB -0.150 29.268 29.460 -0.071 0.000 1.156 241 W HN 0.170 nan 8.180 nan 0.000 0.580 242 D N 1.217 121.693 120.400 0.127 0.000 2.363 242 D HA -0.033 4.598 4.640 -0.015 0.000 0.263 242 D C 1.564 177.882 176.300 0.030 0.000 1.258 242 D CA 0.361 54.379 54.000 0.030 0.000 0.907 242 D CB 0.627 41.398 40.800 -0.049 0.000 1.107 242 D HN 0.378 nan 8.370 nan 0.000 0.495 243 T N 1.013 115.588 114.554 0.034 0.000 3.007 243 T HA -0.092 4.249 4.350 -0.015 0.000 0.270 243 T C 1.155 175.858 174.700 0.005 0.000 1.107 243 T CA 0.840 62.956 62.100 0.027 0.000 1.118 243 T CB 0.035 68.918 68.868 0.025 0.000 0.889 243 T HN 0.326 nan 8.240 nan 0.000 0.506 244 K N 0.746 121.138 120.400 -0.013 0.000 2.414 244 K HA 0.333 4.644 4.320 -0.015 0.000 0.204 244 K C 1.297 177.855 176.600 -0.070 0.000 1.026 244 K CA -0.141 56.132 56.287 -0.024 0.000 1.108 244 K CB 0.907 33.397 32.500 -0.016 0.000 0.855 244 K HN 0.442 nan 8.250 nan 0.000 0.517 245 G N 0.575 109.311 108.800 -0.107 0.000 2.714 245 G HA2 0.275 4.225 3.960 -0.015 0.000 0.197 245 G HA3 0.275 4.225 3.960 -0.015 0.000 0.197 245 G C 1.003 175.686 174.900 -0.362 0.000 1.449 245 G CA 0.231 45.197 45.100 -0.224 0.000 1.065 245 G HN 0.077 nan 8.290 nan 0.000 0.575 246 A N -0.851 121.661 122.820 -0.514 0.000 1.930 246 A HA 0.016 4.326 4.320 -0.015 0.000 0.217 246 A C 2.307 179.733 177.584 -0.263 0.000 1.175 246 A CA 2.644 54.259 52.037 -0.703 0.000 0.627 246 A CB -1.075 17.534 19.000 -0.651 0.000 0.815 246 A HN 0.991 nan 8.150 nan 0.000 0.443 247 T N -0.722 113.726 114.554 -0.175 0.000 3.272 247 T HA 0.237 4.578 4.350 -0.015 0.000 0.250 247 T C 0.720 175.418 174.700 -0.004 0.000 1.082 247 T CA 0.427 62.500 62.100 -0.045 0.000 0.968 247 T CB -1.027 67.876 68.868 0.058 0.000 1.015 247 T HN 0.525 nan 8.240 nan 0.000 0.563 248 S N 0.474 116.166 115.700 -0.014 0.000 2.593 248 S HA 0.303 4.763 4.470 -0.015 0.000 0.269 248 S C 1.268 175.861 174.600 -0.013 0.000 1.334 248 S CA -0.977 57.224 58.200 0.002 0.000 1.015 248 S CB 1.369 64.576 63.200 0.012 0.000 0.912 248 S HN 0.375 nan 8.310 nan 0.000 0.541 249 R N 0.906 121.378 120.500 -0.046 0.000 2.120 249 R HA -0.120 4.211 4.340 -0.015 0.000 0.234 249 R C 2.261 178.511 176.300 -0.083 0.000 1.123 249 R CA 1.421 57.444 56.100 -0.128 0.000 0.975 249 R CB -0.973 29.271 30.300 -0.094 0.000 0.866 249 R HN 0.880 nan 8.270 nan 0.000 0.446 250 A N -0.697 122.119 122.820 -0.006 0.000 1.968 250 A HA -0.165 4.146 4.320 -0.015 0.000 0.217 250 A C 1.796 179.413 177.584 0.055 0.000 1.169 250 A CA 0.839 52.889 52.037 0.022 0.000 0.638 250 A CB -0.414 18.612 19.000 0.043 0.000 0.812 250 A HN 0.496 nan 8.150 nan 0.000 0.446 251 Y N -0.492 119.783 120.300 -0.042 0.000 2.230 251 Y HA 0.172 4.712 4.550 -0.015 0.000 0.294 251 Y C 0.451 176.367 175.900 0.027 0.000 1.120 251 Y CA 1.363 59.446 58.100 -0.029 0.000 1.129 251 Y CB 0.441 38.846 38.460 -0.091 0.000 1.040 251 Y HN 0.361 nan 8.280 nan 0.000 0.519 252 N N 0.522 119.321 118.700 0.165 0.000 2.607 252 N HA 0.075 4.806 4.740 -0.015 0.000 0.271 252 N C -0.487 174.990 175.510 -0.055 0.000 1.142 252 N CA 0.027 53.161 53.050 0.140 0.000 0.810 252 N CB 0.633 39.252 38.487 0.220 0.000 1.306 252 N HN 0.368 nan 8.380 nan 0.000 0.536 253 D N 2.185 122.486 120.400 -0.164 0.000 2.144 253 D HA -0.148 4.483 4.640 -0.015 0.000 0.200 253 D C 0.815 176.579 176.300 -0.893 0.000 0.978 253 D CA 1.121 54.756 54.000 -0.607 0.000 0.833 253 D CB 0.228 40.653 40.800 -0.625 0.000 0.961 253 D HN 0.417 nan 8.370 nan 0.000 0.470 254 E N 1.018 120.974 120.200 -0.407 0.000 2.097 254 E HA -0.160 4.181 4.350 -0.015 0.000 0.196 254 E C 2.209 178.622 176.600 -0.312 0.000 1.000 254 E CA 1.484 57.662 56.400 -0.370 0.000 0.804 254 E CB -0.464 28.915 29.700 -0.535 0.000 0.740 254 E HN 0.505 nan 8.360 nan 0.000 0.454 255 A N 0.929 123.621 122.820 -0.214 0.000 1.872 255 A HA -0.013 4.297 4.320 -0.015 0.000 0.214 255 A C 2.519 180.042 177.584 -0.100 0.000 1.187 255 A CA 1.753 53.717 52.037 -0.122 0.000 0.614 255 A CB -0.982 17.976 19.000 -0.069 0.000 0.826 255 A HN 0.335 nan 8.150 nan 0.000 0.442 256 G N -1.133 107.570 108.800 -0.162 0.000 2.422 256 G HA2 -0.126 3.825 3.960 -0.015 0.000 0.218 256 G HA3 -0.126 3.825 3.960 -0.015 0.000 0.218 256 G C 1.286 176.173 174.900 -0.021 0.000 1.146 256 G CA 1.045 46.078 45.100 -0.111 0.000 0.769 256 G HN 0.360 nan 8.290 nan 0.000 0.547 257 F N 1.051 120.945 119.950 -0.093 0.000 2.134 257 F HA 0.075 4.593 4.527 -0.015 0.000 0.299 257 F C 2.821 178.536 175.800 -0.141 0.000 1.097 257 F CA 0.835 58.756 58.000 -0.132 0.000 1.264 257 F CB -0.640 38.248 39.000 -0.186 0.000 1.001 257 F HN 0.055 nan 8.300 nan 0.000 0.479 258 R N -0.391 120.123 120.500 0.024 0.000 2.115 258 R HA -0.051 4.280 4.340 -0.015 0.000 0.226 258 R C 2.206 178.465 176.300 -0.069 0.000 1.100 258 R CA 0.949 57.000 56.100 -0.081 0.000 0.980 258 R CB -0.635 29.558 30.300 -0.179 0.000 0.875 258 R HN 0.117 nan 8.270 nan 0.000 0.445 259 V N 0.406 120.304 119.914 -0.027 0.000 2.295 259 V HA -0.228 3.883 4.120 -0.015 0.000 0.246 259 V C 2.274 178.350 176.094 -0.030 0.000 1.049 259 V CA 1.615 63.894 62.300 -0.034 0.000 1.024 259 V CB -0.325 31.515 31.823 0.028 0.000 0.648 259 V HN 0.118 nan 8.190 nan 0.000 0.447 260 V N -0.155 119.763 119.914 0.007 0.000 2.282 260 V HA -0.260 3.850 4.120 -0.015 0.000 0.249 260 V C 2.421 178.530 176.094 0.025 0.000 1.057 260 V CA 2.174 64.483 62.300 0.015 0.000 1.032 260 V CB -0.535 31.308 31.823 0.035 0.000 0.645 260 V HN 0.418 nan 8.190 nan 0.000 0.447 261 V N 0.132 120.067 119.914 0.036 0.000 2.343 261 V HA -0.244 3.867 4.120 -0.015 0.000 0.247 261 V C 2.700 178.900 176.094 0.176 0.000 1.051 261 V CA 1.932 64.299 62.300 0.112 0.000 1.036 261 V CB -1.198 30.686 31.823 0.103 0.000 0.654 261 V HN 0.564 nan 8.190 nan 0.000 0.451 262 A N -0.073 122.762 122.820 0.024 0.000 1.883 262 A HA -0.201 4.110 4.320 -0.015 0.000 0.217 262 A C 2.226 179.825 177.584 0.026 0.000 1.186 262 A CA 2.034 54.047 52.037 -0.040 0.000 0.624 262 A CB -0.612 18.288 19.000 -0.166 0.000 0.822 262 A HN 0.506 nan 8.150 nan 0.000 0.444 263 L N -0.962 120.266 121.223 0.008 0.000 2.093 263 L HA -0.175 4.155 4.340 -0.015 0.000 0.208 263 L C 3.092 180.028 176.870 0.110 0.000 1.085 263 L CA 0.953 55.811 54.840 0.030 0.000 0.755 263 L CB -0.533 41.515 42.059 -0.019 0.000 0.904 263 L HN 0.453 nan 8.230 nan 0.000 0.435 264 A N -0.510 122.368 122.820 0.097 0.000 1.877 264 A HA -0.223 4.088 4.320 -0.015 0.000 0.216 264 A C 1.913 179.563 177.584 0.110 0.000 1.186 264 A CA 1.478 53.560 52.037 0.075 0.000 0.620 264 A CB -0.931 18.047 19.000 -0.036 0.000 0.822 264 A HN 0.484 nan 8.150 nan 0.000 0.443 265 W N -0.216 121.142 121.300 0.096 0.000 2.381 265 W HA 0.068 4.719 4.660 -0.016 0.000 0.301 265 W C 2.564 179.182 176.519 0.165 0.000 1.205 265 W CA 1.133 58.545 57.345 0.113 0.000 1.285 265 W CB -0.651 28.769 29.460 -0.067 0.000 1.133 265 W HN 0.376 nan 8.180 nan 0.000 0.521 266 G N -0.502 108.487 108.800 0.316 0.000 2.459 266 G HA2 -0.383 3.568 3.960 -0.015 0.000 0.217 266 G HA3 -0.383 3.568 3.960 -0.015 0.000 0.217 266 G C 1.266 176.335 174.900 0.282 0.000 1.183 266 G CA 1.305 46.549 45.100 0.240 0.000 0.776 266 G HN 0.278 nan 8.290 nan 0.000 0.552 267 Y N 1.566 121.954 120.300 0.147 0.000 2.128 267 Y HA -0.174 4.367 4.550 -0.016 0.000 0.284 267 Y C 2.484 178.500 175.900 0.194 0.000 1.154 267 Y CA 2.143 60.324 58.100 0.136 0.000 1.149 267 Y CB -0.407 38.113 38.460 0.101 0.000 0.976 267 Y HN 0.353 nan 8.280 nan 0.000 0.505 268 D N -1.442 119.120 120.400 0.271 0.000 2.097 268 D HA -0.214 4.417 4.640 -0.015 0.000 0.197 268 D C 1.570 178.006 176.300 0.227 0.000 0.984 268 D CA 1.754 55.909 54.000 0.258 0.000 0.826 268 D CB -0.424 40.531 40.800 0.258 0.000 0.973 268 D HN 0.375 nan 8.370 nan 0.000 0.460 269 W N -0.089 121.297 121.300 0.143 0.000 2.737 269 W HA 0.313 4.964 4.660 -0.015 0.000 0.262 269 W C 1.308 177.895 176.519 0.113 0.000 1.282 269 W CA 0.104 57.542 57.345 0.154 0.000 1.386 269 W CB 0.085 29.683 29.460 0.229 0.000 1.099 269 W HN -0.013 nan 8.180 nan 0.000 0.621 270 L N -0.562 120.824 121.223 0.271 0.000 2.700 270 L HA 0.079 4.409 4.340 -0.015 0.000 0.234 270 L C 1.699 178.617 176.870 0.080 0.000 1.156 270 L CA -0.267 54.684 54.840 0.185 0.000 0.946 270 L CB -0.787 41.383 42.059 0.185 0.000 1.216 270 L HN -0.046 nan 8.230 nan 0.000 0.493 271 Y N 1.869 122.061 120.300 -0.180 0.000 2.030 271 Y HA -0.379 4.161 4.550 -0.015 0.000 0.272 271 Y C 2.169 177.943 175.900 -0.210 0.000 1.185 271 Y CA 2.271 60.131 58.100 -0.400 0.000 1.120 271 Y CB 0.130 38.187 38.460 -0.672 0.000 0.955 271 Y HN 0.286 nan 8.280 nan 0.000 0.495 272 D N -2.143 118.274 120.400 0.029 0.000 2.234 272 D HA -0.126 4.505 4.640 -0.015 0.000 0.205 272 D C 1.894 178.198 176.300 0.006 0.000 0.962 272 D CA 1.419 55.421 54.000 0.003 0.000 0.855 272 D CB -0.461 40.387 40.800 0.080 0.000 0.951 272 D HN 0.510 nan 8.370 nan 0.000 0.500 273 H N 0.065 119.116 119.070 -0.031 0.000 2.428 273 H HA 0.116 4.662 4.556 -0.015 0.000 0.296 273 H C 0.533 175.839 175.328 -0.036 0.000 1.062 273 H CA 0.566 56.609 56.048 -0.008 0.000 1.350 273 H CB 0.002 29.788 29.762 0.039 0.000 1.403 273 H HN -0.014 nan 8.280 nan 0.000 0.533 274 L N 1.109 122.306 121.223 -0.042 0.000 2.439 274 L HA 0.109 4.440 4.340 -0.015 0.000 0.269 274 L C 0.944 177.717 176.870 -0.161 0.000 1.179 274 L CA -0.281 54.497 54.840 -0.102 0.000 0.828 274 L CB 0.953 42.959 42.059 -0.088 0.000 1.106 274 L HN 0.276 nan 8.230 nan 0.000 0.467 275 S N 0.310 115.932 115.700 -0.130 0.000 2.624 275 S HA 0.045 4.505 4.470 -0.015 0.000 0.263 275 S C 0.886 175.410 174.600 -0.126 0.000 1.287 275 S CA -0.429 57.699 58.200 -0.120 0.000 0.990 275 S CB 1.110 64.258 63.200 -0.086 0.000 0.950 275 S HN 0.768 nan 8.310 nan 0.000 0.561 276 E N 0.119 120.254 120.200 -0.109 0.000 2.118 276 E HA -0.239 4.102 4.350 -0.015 0.000 0.195 276 E C 1.146 177.711 176.600 -0.058 0.000 0.992 276 E CA 1.497 57.840 56.400 -0.095 0.000 0.804 276 E CB -0.188 29.472 29.700 -0.066 0.000 0.741 276 E HN 0.797 nan 8.360 nan 0.000 0.458 277 D N 0.154 120.526 120.400 -0.046 0.000 2.183 277 D HA -0.107 4.523 4.640 -0.015 0.000 0.203 277 D C 1.570 177.858 176.300 -0.021 0.000 0.969 277 D CA 0.870 54.853 54.000 -0.028 0.000 0.842 277 D CB 0.126 40.910 40.800 -0.026 0.000 0.957 277 D HN 0.233 nan 8.370 nan 0.000 0.484 278 E N -0.359 119.823 120.200 -0.030 0.000 2.107 278 E HA -0.052 4.289 4.350 -0.015 0.000 0.191 278 E C 2.286 178.899 176.600 0.021 0.000 0.982 278 E CA 0.399 56.792 56.400 -0.012 0.000 0.809 278 E CB 0.166 29.852 29.700 -0.023 0.000 0.756 278 E HN 0.189 nan 8.360 nan 0.000 0.459 279 R N 0.500 121.001 120.500 0.003 0.000 2.081 279 R HA -0.131 4.200 4.340 -0.015 0.000 0.235 279 R C 2.403 178.782 176.300 0.132 0.000 1.131 279 R CA 1.253 57.421 56.100 0.113 0.000 0.960 279 R CB -0.196 30.064 30.300 -0.067 0.000 0.856 279 R HN -0.050 nan 8.270 nan 0.000 0.436 280 R N 0.653 121.178 120.500 0.042 0.000 2.091 280 R HA -0.101 4.230 4.340 -0.015 0.000 0.238 280 R C 1.915 178.216 176.300 0.001 0.000 1.136 280 R CA 2.285 58.396 56.100 0.019 0.000 0.959 280 R CB -0.804 29.498 30.300 0.004 0.000 0.856 280 R HN 0.100 nan 8.270 nan 0.000 0.437 281 T N -0.181 114.375 114.554 0.004 0.000 2.701 281 T HA -0.072 4.268 4.350 -0.015 0.000 0.263 281 T C 1.819 176.506 174.700 -0.021 0.000 1.040 281 T CA 1.575 63.671 62.100 -0.007 0.000 1.147 281 T CB -0.310 68.555 68.868 -0.004 0.000 0.865 281 T HN 0.039 nan 8.240 nan 0.000 0.426 282 V N 1.588 121.502 119.914 0.000 0.000 2.307 282 V HA -0.152 3.959 4.120 -0.015 0.000 0.245 282 V C 2.621 178.604 176.094 -0.185 0.000 1.045 282 V CA 1.795 64.080 62.300 -0.024 0.000 1.024 282 V CB -0.652 31.248 31.823 0.128 0.000 0.651 282 V HN 0.358 nan 8.190 nan 0.000 0.449 283 R N 0.029 120.343 120.500 -0.309 0.000 2.091 283 R HA -0.201 4.130 4.340 -0.015 0.000 0.238 283 R C 2.584 178.758 176.300 -0.210 0.000 1.136 283 R CA 1.981 57.794 56.100 -0.479 0.000 0.959 283 R CB -0.477 29.608 30.300 -0.357 0.000 0.856 283 R HN 0.464 nan 8.270 nan 0.000 0.437 284 S N -0.539 115.096 115.700 -0.109 0.000 2.368 284 S HA -0.077 4.383 4.470 -0.015 0.000 0.225 284 S C 1.826 176.401 174.600 -0.041 0.000 1.030 284 S CA 1.383 59.551 58.200 -0.053 0.000 0.999 284 S CB -0.052 63.131 63.200 -0.028 0.000 0.844 284 S HN 0.272 nan 8.310 nan 0.000 0.459 285 V N 1.814 121.698 119.914 -0.052 0.000 2.453 285 V HA -0.042 4.069 4.120 -0.015 0.000 0.247 285 V C 2.330 178.402 176.094 -0.036 0.000 1.048 285 V CA 1.453 63.732 62.300 -0.034 0.000 1.049 285 V CB -0.645 31.156 31.823 -0.037 0.000 0.672 285 V HN 0.456 nan 8.190 nan 0.000 0.457 286 L N 0.046 121.224 121.223 -0.075 0.000 1.994 286 L HA -0.133 4.197 4.340 -0.015 0.000 0.208 286 L C 2.227 179.089 176.870 -0.012 0.000 1.071 286 L CA 1.978 56.779 54.840 -0.065 0.000 0.745 286 L CB -0.738 41.236 42.059 -0.142 0.000 0.892 286 L HN 0.282 nan 8.230 nan 0.000 0.431 287 L N -0.197 121.020 121.223 -0.011 0.000 2.042 287 L HA -0.223 4.108 4.340 -0.015 0.000 0.210 287 L C 2.485 179.423 176.870 0.114 0.000 1.076 287 L CA 2.070 56.959 54.840 0.081 0.000 0.749 287 L CB -0.909 41.181 42.059 0.051 0.000 0.893 287 L HN 0.545 nan 8.230 nan 0.000 0.432 288 E N -0.585 119.651 120.200 0.060 0.000 2.031 288 E HA -0.262 4.079 4.350 -0.015 0.000 0.193 288 E C 2.343 178.971 176.600 0.047 0.000 0.994 288 E CA 1.375 57.810 56.400 0.059 0.000 0.800 288 E CB -0.068 29.652 29.700 0.033 0.000 0.752 288 E HN 0.494 nan 8.360 nan 0.000 0.447 289 R N -0.417 120.100 120.500 0.028 0.000 2.096 289 R HA -0.068 4.262 4.340 -0.015 0.000 0.235 289 R C 2.430 178.732 176.300 0.004 0.000 1.127 289 R CA 1.683 57.794 56.100 0.019 0.000 0.968 289 R CB -0.262 30.048 30.300 0.017 0.000 0.861 289 R HN 0.179 nan 8.270 nan 0.000 0.440 290 T N 0.438 114.996 114.554 0.007 0.000 2.821 290 T HA -0.127 4.214 4.350 -0.015 0.000 0.267 290 T C 1.719 176.263 174.700 -0.262 0.000 1.046 290 T CA 1.000 63.066 62.100 -0.056 0.000 1.139 290 T CB -0.118 68.788 68.868 0.063 0.000 0.871 290 T HN 0.272 nan 8.240 nan 0.000 0.454 291 R N 0.999 121.427 120.500 -0.121 0.000 2.096 291 R HA -0.095 4.236 4.340 -0.015 0.000 0.235 291 R C 2.419 178.617 176.300 -0.169 0.000 1.127 291 R CA 1.525 57.522 56.100 -0.172 0.000 0.968 291 R CB -0.127 30.297 30.300 0.207 0.000 0.861 291 R HN 0.496 nan 8.270 nan 0.000 0.440 292 E N -0.247 119.914 120.200 -0.065 0.000 2.077 292 E HA -0.160 4.181 4.350 -0.015 0.000 0.193 292 E C 1.794 178.388 176.600 -0.009 0.000 0.989 292 E CA 1.541 57.933 56.400 -0.014 0.000 0.800 292 E CB 0.160 29.869 29.700 0.015 0.000 0.746 292 E HN 0.215 nan 8.360 nan 0.000 0.452 293 V N 1.091 120.978 119.914 -0.046 0.000 2.358 293 V HA -0.216 3.894 4.120 -0.015 0.000 0.246 293 V C 2.444 178.459 176.094 -0.132 0.000 1.047 293 V CA 1.689 63.989 62.300 0.000 0.000 1.035 293 V CB -0.723 31.097 31.823 -0.005 0.000 0.658 293 V HN 0.410 nan 8.190 nan 0.000 0.452 294 A N 0.198 122.766 122.820 -0.420 0.000 1.902 294 A HA -0.298 4.013 4.320 -0.015 0.000 0.217 294 A C 2.036 179.404 177.584 -0.361 0.000 1.181 294 A CA 2.185 53.825 52.037 -0.662 0.000 0.623 294 A CB -0.709 17.280 19.000 -1.685 0.000 0.818 294 A HN 0.588 nan 8.150 nan 0.000 0.443 295 D N -1.359 118.919 120.400 -0.202 0.000 2.097 295 D HA -0.233 4.397 4.640 -0.015 0.000 0.195 295 D C 1.884 178.212 176.300 0.047 0.000 0.989 295 D CA 1.660 55.644 54.000 -0.028 0.000 0.827 295 D CB -0.363 40.455 40.800 0.030 0.000 0.966 295 D HN 0.646 nan 8.370 nan 0.000 0.456 296 H N -0.153 118.923 119.070 0.011 0.000 2.321 296 H HA -0.089 4.458 4.556 -0.016 0.000 0.300 296 H C 2.015 177.369 175.328 0.042 0.000 1.087 296 H CA 1.741 57.845 56.048 0.093 0.000 1.319 296 H CB -0.183 29.652 29.762 0.123 0.000 1.379 296 H HN 0.098 nan 8.280 nan 0.000 0.501 297 V N 1.205 120.991 119.914 -0.213 0.000 2.295 297 V HA -0.239 3.871 4.120 -0.015 0.000 0.246 297 V C 2.829 178.810 176.094 -0.189 0.000 1.049 297 V CA 1.968 64.108 62.300 -0.267 0.000 1.024 297 V CB -0.408 31.312 31.823 -0.172 0.000 0.648 297 V HN 0.359 nan 8.190 nan 0.000 0.447 298 I N -0.360 120.106 120.570 -0.174 0.000 2.494 298 I HA 0.004 4.165 4.170 -0.015 0.000 0.250 298 I C 2.451 178.632 176.117 0.106 0.000 1.112 298 I CA 1.188 62.412 61.300 -0.127 0.000 1.438 298 I CB -0.368 37.413 38.000 -0.365 0.000 1.111 298 I HN 0.232 nan 8.210 nan 0.000 0.431 299 A N -0.813 122.052 122.820 0.075 0.000 1.956 299 A HA -0.093 4.218 4.320 -0.015 0.000 0.212 299 A C 2.152 179.826 177.584 0.150 0.000 1.188 299 A CA 0.896 53.018 52.037 0.142 0.000 0.675 299 A CB -0.629 18.446 19.000 0.124 0.000 0.845 299 A HN 0.437 nan 8.150 nan 0.000 0.455 300 H N -1.117 117.934 119.070 -0.031 0.000 2.297 300 H HA 0.222 4.769 4.556 -0.015 0.000 0.317 300 H C 2.363 177.610 175.328 -0.134 0.000 1.062 300 H CA 0.694 56.713 56.048 -0.049 0.000 1.431 300 H CB 0.173 29.949 29.762 0.023 0.000 1.452 300 H HN 0.395 nan 8.280 nan 0.000 0.565 301 A N 1.064 123.687 122.820 -0.329 0.000 1.978 301 A HA -0.164 4.146 4.320 -0.015 0.000 0.220 301 A C 1.477 178.972 177.584 -0.149 0.000 1.170 301 A CA 1.214 53.037 52.037 -0.356 0.000 0.636 301 A CB -0.558 18.168 19.000 -0.457 0.000 0.810 301 A HN 0.671 nan 8.150 nan 0.000 0.448 302 R N -0.666 119.789 120.500 -0.075 0.000 3.264 302 R HA -0.188 4.143 4.340 -0.015 0.000 0.251 302 R C 0.718 176.941 176.300 -0.129 0.000 0.971 302 R CA 0.609 56.668 56.100 -0.068 0.000 0.658 302 R CB -1.864 28.452 30.300 0.027 0.000 1.095 302 R HN 0.856 nan 8.270 nan 0.000 0.443 303 I N -1.550 118.989 120.570 -0.053 0.000 2.700 303 I HA -0.192 3.968 4.170 -0.015 0.000 0.261 303 I C 1.978 178.125 176.117 0.050 0.000 1.219 303 I CA 1.461 62.737 61.300 -0.039 0.000 1.463 303 I CB -0.466 37.371 38.000 -0.271 0.000 1.092 303 I HN 0.375 nan 8.210 nan 0.000 0.452 304 H N 0.557 119.662 119.070 0.058 0.000 2.559 304 H HA 0.152 4.699 4.556 -0.015 0.000 0.273 304 H C 1.682 176.978 175.328 -0.052 0.000 1.000 304 H CA 1.011 57.026 56.048 -0.054 0.000 1.195 304 H CB -0.340 29.498 29.762 0.127 0.000 1.368 304 H HN 0.448 nan 8.280 nan 0.000 0.592 305 V N -0.581 119.145 119.914 -0.314 0.000 3.219 305 V HA 0.102 4.212 4.120 -0.015 0.000 0.240 305 V C 0.067 175.886 176.094 -0.459 0.000 1.222 305 V CA 0.279 62.371 62.300 -0.346 0.000 1.181 305 V CB 0.099 31.729 31.823 -0.321 0.000 0.941 305 V HN 0.069 nan 8.190 nan 0.000 0.471 306 F N 2.568 122.444 119.950 -0.123 0.000 2.371 306 F HA 0.425 4.943 4.527 -0.016 0.000 0.343 306 F C -1.743 174.048 175.800 -0.016 0.000 1.150 306 F CA -1.942 56.035 58.000 -0.039 0.000 1.220 306 F CB 1.167 40.143 39.000 -0.040 0.000 1.475 306 F HN 0.085 nan 8.300 nan 0.000 0.521 307 P HA -0.071 nan 4.420 nan 0.000 0.249 307 P C 0.718 177.918 177.300 -0.167 0.000 1.229 307 P CA 0.907 63.991 63.100 -0.026 0.000 0.788 307 P CB -0.079 31.466 31.700 -0.259 0.000 1.072 308 Y N -0.212 119.999 120.300 -0.148 0.000 2.529 308 Y HA 0.063 4.604 4.550 -0.016 0.000 0.290 308 Y C 1.251 177.292 175.900 0.236 0.000 1.177 308 Y CA -0.000 57.965 58.100 -0.224 0.000 1.305 308 Y CB -0.364 37.869 38.460 -0.379 0.000 1.047 308 Y HN -0.072 nan 8.280 nan 0.000 0.522 309 D N 0.076 120.660 120.400 0.306 0.000 2.455 309 D HA 0.029 4.660 4.640 -0.015 0.000 0.234 309 D C 0.753 177.236 176.300 0.304 0.000 1.224 309 D CA 0.298 54.464 54.000 0.276 0.000 0.999 309 D CB 0.605 41.491 40.800 0.144 0.000 1.072 309 D HN 0.100 nan 8.370 nan 0.000 0.514 310 S N 1.729 117.683 115.700 0.422 0.000 2.423 310 S HA -0.187 4.274 4.470 -0.015 0.000 0.231 310 S C 1.567 176.371 174.600 0.340 0.000 1.014 310 S CA 0.605 59.058 58.200 0.422 0.000 0.965 310 S CB -0.159 63.322 63.200 0.469 0.000 0.785 310 S HN 0.663 nan 8.310 nan 0.000 0.495 311 H N 1.887 121.102 119.070 0.242 0.000 2.326 311 H HA 0.084 4.630 4.556 -0.016 0.000 0.301 311 H C 2.100 177.536 175.328 0.180 0.000 1.081 311 H CA 1.626 57.807 56.048 0.223 0.000 1.334 311 H CB -0.473 29.423 29.762 0.223 0.000 1.385 311 H HN 0.307 nan 8.280 nan 0.000 0.504 312 A N -0.060 122.868 122.820 0.181 0.000 1.930 312 A HA -0.091 4.220 4.320 -0.015 0.000 0.217 312 A C 2.655 180.192 177.584 -0.078 0.000 1.175 312 A CA 1.526 53.587 52.037 0.038 0.000 0.627 312 A CB -0.865 18.107 19.000 -0.046 0.000 0.815 312 A HN 0.335 nan 8.150 nan 0.000 0.443 313 V N 0.397 120.312 119.914 0.002 0.000 2.343 313 V HA -0.278 3.833 4.120 -0.015 0.000 0.247 313 V C 2.659 178.771 176.094 0.031 0.000 1.051 313 V CA 2.286 64.604 62.300 0.031 0.000 1.036 313 V CB -0.859 31.121 31.823 0.261 0.000 0.654 313 V HN 0.708 nan 8.190 nan 0.000 0.451 314 R N 0.931 121.452 120.500 0.034 0.000 2.091 314 R HA -0.204 4.127 4.340 -0.015 0.000 0.238 314 R C 2.490 178.613 176.300 -0.296 0.000 1.136 314 R CA 2.250 58.327 56.100 -0.040 0.000 0.959 314 R CB -0.377 29.924 30.300 0.001 0.000 0.856 314 R HN 0.680 nan 8.270 nan 0.000 0.437 315 S N 0.584 116.000 115.700 -0.473 0.000 2.406 315 S HA -0.133 4.328 4.470 -0.015 0.000 0.228 315 S C 2.035 176.416 174.600 -0.365 0.000 1.020 315 S CA 0.845 58.632 58.200 -0.689 0.000 0.965 315 S CB -0.446 62.153 63.200 -1.001 0.000 0.798 315 S HN 0.384 nan 8.310 nan 0.000 0.488 316 L N 1.967 123.052 121.223 -0.230 0.000 2.012 316 L HA -0.082 4.249 4.340 -0.015 0.000 0.210 316 L C 2.423 179.237 176.870 -0.094 0.000 1.073 316 L CA 2.021 56.775 54.840 -0.144 0.000 0.748 316 L CB -0.751 41.212 42.059 -0.161 0.000 0.891 316 L HN 0.280 nan 8.230 nan 0.000 0.431 317 S N -0.485 115.169 115.700 -0.076 0.000 2.345 317 S HA 0.003 4.464 4.470 -0.015 0.000 0.219 317 S C 1.913 176.495 174.600 -0.029 0.000 1.031 317 S CA 1.032 59.218 58.200 -0.023 0.000 0.984 317 S CB -0.441 62.777 63.200 0.030 0.000 0.874 317 S HN 0.636 nan 8.310 nan 0.000 0.451 318 A N 0.226 122.982 122.820 -0.106 0.000 2.081 318 A HA 0.288 4.599 4.320 -0.015 0.000 0.214 318 A C 1.891 179.385 177.584 -0.150 0.000 1.158 318 A CA 0.565 52.522 52.037 -0.133 0.000 0.724 318 A CB -0.036 18.674 19.000 -0.483 0.000 0.826 318 A HN 0.342 nan 8.150 nan 0.000 0.463 319 V N -1.084 118.704 119.914 -0.211 0.000 2.948 319 V HA 0.086 4.197 4.120 -0.015 0.000 0.234 319 V C 2.228 178.261 176.094 -0.102 0.000 1.205 319 V CA 0.444 62.638 62.300 -0.176 0.000 1.234 319 V CB -0.731 30.908 31.823 -0.307 0.000 1.020 319 V HN 0.417 nan 8.190 nan 0.000 0.491 320 L N 0.543 121.697 121.223 -0.115 0.000 2.083 320 L HA -0.169 4.162 4.340 -0.015 0.000 0.209 320 L C 2.633 179.506 176.870 0.005 0.000 1.083 320 L CA 2.049 56.857 54.840 -0.054 0.000 0.752 320 L CB -0.710 41.314 42.059 -0.059 0.000 0.899 320 L HN 0.437 nan 8.230 nan 0.000 0.433 321 T N 0.297 114.848 114.554 -0.005 0.000 2.643 321 T HA -0.093 4.247 4.350 -0.015 0.000 0.264 321 T C -0.535 174.145 174.700 -0.033 0.000 1.045 321 T CA 1.595 63.701 62.100 0.010 0.000 1.155 321 T CB -1.204 67.675 68.868 0.018 0.000 0.863 321 T HN 0.309 nan 8.240 nan 0.000 0.420 322 P HA 0.064 nan 4.420 nan 0.000 0.219 322 P C 1.417 178.639 177.300 -0.131 0.000 1.150 322 P CA 1.211 64.222 63.100 -0.150 0.000 0.814 322 P CB -0.182 31.431 31.700 -0.144 0.000 0.787 323 A N 0.045 122.835 122.820 -0.050 0.000 1.858 323 A HA -0.186 4.125 4.320 -0.015 0.000 0.216 323 A C 2.542 180.145 177.584 0.031 0.000 1.190 323 A CA 1.975 54.010 52.037 -0.003 0.000 0.617 323 A CB -1.721 17.292 19.000 0.022 0.000 0.827 323 A HN 0.244 nan 8.150 nan 0.000 0.443 324 C N -0.788 118.550 119.300 0.063 0.000 2.440 324 C HA 0.012 4.463 4.460 -0.015 0.000 0.278 324 C C 2.555 177.545 174.990 -0.001 0.000 1.295 324 C CA 0.680 59.761 59.018 0.105 0.000 1.738 324 C CB -1.385 26.469 27.740 0.191 0.000 1.987 324 C HN 0.612 nan 8.230 nan 0.000 0.492 325 I N 1.820 122.316 120.570 -0.124 0.000 2.127 325 I HA -0.249 3.912 4.170 -0.015 0.000 0.241 325 I C 2.807 178.748 176.117 -0.293 0.000 1.075 325 I CA 1.787 62.850 61.300 -0.395 0.000 1.334 325 I CB -0.611 37.020 38.000 -0.615 0.000 1.040 325 I HN 0.271 nan 8.210 nan 0.000 0.405 326 A N 0.470 123.206 122.820 -0.140 0.000 1.948 326 A HA -0.170 4.141 4.320 -0.015 0.000 0.220 326 A C 2.191 179.913 177.584 0.230 0.000 1.177 326 A CA 1.620 53.700 52.037 0.073 0.000 0.636 326 A CB -0.769 18.311 19.000 0.133 0.000 0.815 326 A HN 0.469 nan 8.150 nan 0.000 0.449 327 L N -0.395 120.898 121.223 0.118 0.000 2.592 327 L HA 0.047 4.378 4.340 -0.015 0.000 0.227 327 L C 0.350 177.276 176.870 0.093 0.000 1.127 327 L CA -0.385 54.529 54.840 0.122 0.000 0.884 327 L CB -0.102 41.995 42.059 0.064 0.000 1.065 327 L HN 0.324 nan 8.230 nan 0.000 0.457 328 Q N 0.484 120.319 119.800 0.058 0.000 2.315 328 Q HA 0.115 4.445 4.340 -0.015 0.000 0.289 328 Q C 1.243 177.275 176.000 0.054 0.000 1.044 328 Q CA 1.245 57.077 55.803 0.048 0.000 0.920 328 Q CB 0.799 29.593 28.738 0.092 0.000 1.214 328 Q HN 0.418 nan 8.270 nan 0.000 0.392 329 G N 2.559 111.373 108.800 0.024 0.000 2.284 329 G HA2 -0.293 3.657 3.960 -0.015 0.000 0.230 329 G HA3 -0.293 3.657 3.960 -0.015 0.000 0.230 329 G C 0.212 175.136 174.900 0.041 0.000 1.021 329 G CA 0.364 45.479 45.100 0.026 0.000 0.619 329 G HN 0.652 nan 8.290 nan 0.000 0.510 330 E N -0.730 119.509 120.200 0.063 0.000 3.157 330 E HA 0.559 4.900 4.350 -0.015 0.000 0.203 330 E C -0.079 176.535 176.600 0.022 0.000 0.982 330 E CA 0.222 56.661 56.400 0.064 0.000 1.217 330 E CB 0.877 30.656 29.700 0.131 0.000 1.123 330 E HN 0.659 nan 8.360 nan 0.000 0.457 331 S N 0.435 116.122 115.700 -0.021 0.000 2.511 331 S HA 0.094 4.555 4.470 -0.015 0.000 0.283 331 S C -0.563 173.954 174.600 -0.138 0.000 1.078 331 S CA -0.532 57.622 58.200 -0.077 0.000 0.994 331 S CB 1.045 64.202 63.200 -0.072 0.000 1.171 331 S HN 0.136 nan 8.310 nan 0.000 0.444 332 D N 3.066 123.374 120.400 -0.154 0.000 2.144 332 D HA -0.043 4.588 4.640 -0.015 0.000 0.200 332 D C 1.656 177.772 176.300 -0.306 0.000 0.978 332 D CA 1.300 55.192 54.000 -0.180 0.000 0.833 332 D CB 0.203 40.923 40.800 -0.133 0.000 0.961 332 D HN 0.782 nan 8.370 nan 0.000 0.470 333 E N 0.647 120.570 120.200 -0.460 0.000 2.038 333 E HA -0.154 4.187 4.350 -0.015 0.000 0.195 333 E C 2.110 177.951 176.600 -1.265 0.000 1.000 333 E CA 1.142 56.971 56.400 -0.953 0.000 0.803 333 E CB -0.104 28.902 29.700 -1.156 0.000 0.750 333 E HN 0.189 nan 8.360 nan 0.000 0.448 334 A N 1.130 123.474 122.820 -0.792 0.000 1.978 334 A HA -0.140 4.170 4.320 -0.015 0.000 0.220 334 A C 2.358 179.886 177.584 -0.093 0.000 1.170 334 A CA 1.752 53.641 52.037 -0.247 0.000 0.636 334 A CB -1.121 17.868 19.000 -0.018 0.000 0.810 334 A HN 0.376 nan 8.150 nan 0.000 0.448 335 G N -0.538 108.166 108.800 -0.160 0.000 2.421 335 G HA2 -0.208 3.742 3.960 -0.015 0.000 0.216 335 G HA3 -0.208 3.742 3.960 -0.015 0.000 0.216 335 G C 1.432 176.330 174.900 -0.002 0.000 1.171 335 G CA 0.928 45.978 45.100 -0.083 0.000 0.775 335 G HN 0.482 nan 8.290 nan 0.000 0.543 336 E N 0.133 120.282 120.200 -0.086 0.000 2.077 336 E HA -0.106 4.234 4.350 -0.015 0.000 0.193 336 E C 2.359 179.123 176.600 0.272 0.000 0.989 336 E CA 0.885 57.324 56.400 0.064 0.000 0.800 336 E CB -0.261 29.418 29.700 -0.035 0.000 0.746 336 E HN 0.627 nan 8.360 nan 0.000 0.452 337 W N 0.593 121.993 121.300 0.166 0.000 2.388 337 W HA -0.077 4.573 4.660 -0.015 0.000 0.294 337 W C 2.245 178.880 176.519 0.193 0.000 1.212 337 W CA 0.156 57.595 57.345 0.157 0.000 1.271 337 W CB -1.273 28.236 29.460 0.082 0.000 1.126 337 W HN 0.126 nan 8.180 nan 0.000 0.535 338 L N 1.053 122.495 121.223 0.364 0.000 2.056 338 L HA -0.155 4.176 4.340 -0.015 0.000 0.207 338 L C 1.882 178.918 176.870 0.278 0.000 1.078 338 L CA 2.120 57.127 54.840 0.279 0.000 0.749 338 L CB -0.970 41.226 42.059 0.227 0.000 0.901 338 L HN -0.247 nan 8.230 nan 0.000 0.433 339 D N -1.349 119.231 120.400 0.301 0.000 2.097 339 D HA -0.272 4.359 4.640 -0.015 0.000 0.195 339 D C 2.016 178.496 176.300 0.300 0.000 0.989 339 D CA 1.753 55.926 54.000 0.288 0.000 0.827 339 D CB -0.433 40.560 40.800 0.321 0.000 0.966 339 D HN 0.464 nan 8.370 nan 0.000 0.456 340 Y N 1.903 122.347 120.300 0.240 0.000 2.114 340 Y HA -0.288 4.253 4.550 -0.015 0.000 0.282 340 Y C 2.398 178.389 175.900 0.152 0.000 1.165 340 Y CA 2.188 60.367 58.100 0.132 0.000 1.148 340 Y CB -0.521 37.961 38.460 0.037 0.000 0.972 340 Y HN -0.092 nan 8.280 nan 0.000 0.504 341 T N -0.351 114.356 114.554 0.255 0.000 2.674 341 T HA -0.203 4.137 4.350 -0.015 0.000 0.265 341 T C 2.029 176.803 174.700 0.123 0.000 1.039 341 T CA 1.969 64.158 62.100 0.148 0.000 1.150 341 T CB -0.859 68.111 68.868 0.170 0.000 0.864 341 T HN 0.215 nan 8.240 nan 0.000 0.427 342 V N 1.429 121.427 119.914 0.139 0.000 2.343 342 V HA -0.175 3.936 4.120 -0.015 0.000 0.247 342 V C 2.473 178.617 176.094 0.085 0.000 1.051 342 V CA 1.763 64.133 62.300 0.117 0.000 1.036 342 V CB -0.639 31.238 31.823 0.089 0.000 0.654 342 V HN 0.526 nan 8.190 nan 0.000 0.451 343 E N -0.704 119.548 120.200 0.086 0.000 2.106 343 E HA -0.198 4.143 4.350 -0.015 0.000 0.192 343 E C 1.976 178.698 176.600 0.202 0.000 0.984 343 E CA 1.368 57.837 56.400 0.116 0.000 0.806 343 E CB -0.222 29.555 29.700 0.128 0.000 0.750 343 E HN 0.623 nan 8.360 nan 0.000 0.458 344 F N 1.311 121.212 119.950 -0.081 0.000 2.075 344 F HA -0.190 4.327 4.527 -0.015 0.000 0.297 344 F C 1.862 177.563 175.800 -0.165 0.000 1.113 344 F CA 1.364 59.136 58.000 -0.380 0.000 1.218 344 F CB -0.095 38.535 39.000 -0.615 0.000 0.984 344 F HN -0.082 nan 8.300 nan 0.000 0.472 345 L N -0.062 121.236 121.223 0.125 0.000 2.083 345 L HA -0.207 4.124 4.340 -0.015 0.000 0.209 345 L C 2.670 179.587 176.870 0.078 0.000 1.083 345 L CA 1.158 56.062 54.840 0.108 0.000 0.752 345 L CB -1.104 41.005 42.059 0.082 0.000 0.899 345 L HN 0.281 nan 8.230 nan 0.000 0.433 346 A N -1.210 121.657 122.820 0.078 0.000 2.067 346 A HA -0.062 4.248 4.320 -0.015 0.000 0.217 346 A C 2.145 179.720 177.584 -0.014 0.000 1.156 346 A CA 1.787 53.890 52.037 0.110 0.000 0.683 346 A CB -0.296 18.761 19.000 0.094 0.000 0.808 346 A HN 0.400 nan 8.150 nan 0.000 0.455 347 T N -1.393 113.082 114.554 -0.130 0.000 3.098 347 T HA 0.265 4.605 4.350 -0.015 0.000 0.246 347 T C 1.536 176.006 174.700 -0.384 0.000 0.983 347 T CA 0.483 62.465 62.100 -0.196 0.000 1.094 347 T CB -0.083 68.766 68.868 -0.032 0.000 1.035 347 T HN 0.212 nan 8.240 nan 0.000 0.456 348 L N -0.571 120.225 121.223 -0.712 0.000 2.470 348 L HA 0.371 4.702 4.340 -0.015 0.000 0.219 348 L C 0.409 176.773 176.870 -0.842 0.000 1.071 348 L CA -0.052 54.223 54.840 -0.942 0.000 0.850 348 L CB 0.055 41.245 42.059 -1.448 0.000 1.040 348 L HN 0.268 nan 8.230 nan 0.000 0.475 349 Y N 1.720 121.527 120.300 -0.823 0.000 2.569 349 Y HA 0.090 4.631 4.550 -0.016 0.000 0.332 349 Y C 0.440 176.142 175.900 -0.330 0.000 1.120 349 Y CA 0.308 58.183 58.100 -0.375 0.000 1.416 349 Y CB 0.652 39.085 38.460 -0.045 0.000 1.210 349 Y HN -0.083 nan 8.280 nan 0.000 0.528 350 S N 7.132 122.441 115.700 -0.652 0.000 2.549 350 S HA 0.442 4.902 4.470 -0.015 0.000 0.280 350 S C -2.050 172.068 174.600 -0.803 0.000 1.109 350 S CA -1.589 56.081 58.200 -0.883 0.000 0.905 350 S CB 1.814 64.275 63.200 -1.231 0.000 1.081 350 S HN 0.549 nan 8.310 nan 0.000 0.477 351 P HA 0.023 nan 4.420 nan 0.000 0.226 351 P C 0.553 177.367 177.300 -0.811 0.000 1.153 351 P CA 0.804 63.318 63.100 -0.978 0.000 0.777 351 P CB -0.108 30.566 31.700 -1.711 0.000 0.794 352 W N 0.648 121.426 121.300 -0.870 0.000 2.905 352 W HA 0.286 4.936 4.660 -0.016 0.000 0.251 352 W C 1.050 176.815 176.519 -1.256 0.000 1.305 352 W CA -0.382 56.264 57.345 -1.166 0.000 1.465 352 W CB -0.026 28.355 29.460 -1.798 0.000 1.122 352 W HN -0.117 nan 8.180 nan 0.000 0.659 353 A N 0.903 123.221 122.820 -0.838 0.000 2.309 353 A HA 0.654 4.964 4.320 -0.015 0.000 0.298 353 A C 0.269 177.593 177.584 -0.433 0.000 1.165 353 A CA -0.152 51.418 52.037 -0.779 0.000 0.821 353 A CB 0.221 18.317 19.000 -1.506 0.000 1.102 353 A HN 0.085 nan 8.150 nan 0.000 0.500 354 G N 0.054 108.743 108.800 -0.186 0.000 2.410 354 G HA2 0.433 4.384 3.960 -0.015 0.000 0.330 354 G HA3 0.433 4.384 3.960 -0.015 0.000 0.330 354 G C 0.973 175.934 174.900 0.101 0.000 1.142 354 G CA 0.344 45.428 45.100 -0.027 0.000 0.902 354 G HN 1.104 nan 8.290 nan 0.000 0.491 355 T N -1.535 113.057 114.554 0.064 0.000 2.803 355 T HA -0.141 4.200 4.350 -0.015 0.000 0.269 355 T C 1.117 175.884 174.700 0.111 0.000 1.052 355 T CA 1.779 63.926 62.100 0.080 0.000 1.136 355 T CB -0.073 68.813 68.868 0.030 0.000 0.864 355 T HN 0.318 nan 8.240 nan 0.000 0.467 356 D N 1.161 121.632 120.400 0.118 0.000 2.349 356 D HA 0.262 4.893 4.640 -0.015 0.000 0.224 356 D C 1.664 178.092 176.300 0.214 0.000 1.029 356 D CA 0.862 54.921 54.000 0.099 0.000 0.879 356 D CB -0.051 40.752 40.800 0.006 0.000 0.906 356 D HN 0.692 nan 8.370 nan 0.000 0.528 357 G N 0.058 109.009 108.800 0.251 0.000 2.179 357 G HA2 -0.174 3.776 3.960 -0.015 0.000 0.220 357 G HA3 -0.174 3.776 3.960 -0.015 0.000 0.220 357 G C 0.780 175.739 174.900 0.099 0.000 0.990 357 G CA -0.142 45.049 45.100 0.152 0.000 0.646 357 G HN 0.580 nan 8.290 nan 0.000 0.517 358 G N -0.833 107.959 108.800 -0.014 0.000 2.594 358 G HA2 0.377 4.327 3.960 -0.015 0.000 0.243 358 G HA3 0.377 4.327 3.960 -0.015 0.000 0.243 358 G C -0.192 174.301 174.900 -0.679 0.000 1.229 358 G CA 0.080 44.638 45.100 -0.904 0.000 0.843 358 G HN 0.613 nan 8.290 nan 0.000 0.578 359 W N 2.352 122.689 121.300 -1.605 0.000 2.499 359 W HA 0.435 5.086 4.660 -0.016 0.000 0.320 359 W C 0.596 176.677 176.519 -0.731 0.000 1.010 359 W CA -0.839 56.065 57.345 -0.735 0.000 1.267 359 W CB 1.815 31.163 29.460 -0.186 0.000 1.316 359 W HN 0.720 nan 8.180 nan 0.000 0.431 360 A N 3.289 125.569 122.820 -0.901 0.000 1.986 360 A HA -0.230 4.080 4.320 -0.015 0.000 0.220 360 A C 1.665 178.981 177.584 -0.448 0.000 1.171 360 A CA 1.611 53.171 52.037 -0.796 0.000 0.640 360 A CB -0.113 18.018 19.000 -1.449 0.000 0.811 360 A HN 0.686 nan 8.150 nan 0.000 0.451 361 E N -0.774 119.082 120.200 -0.573 0.000 2.418 361 E HA 0.222 4.563 4.350 -0.015 0.000 0.197 361 E C 1.052 177.756 176.600 0.174 0.000 1.026 361 E CA 0.747 56.978 56.400 -0.280 0.000 0.862 361 E CB -0.386 29.077 29.700 -0.395 0.000 0.799 361 E HN 0.796 nan 8.360 nan 0.000 0.518 362 G N 1.279 110.251 108.800 0.286 0.000 2.619 362 G HA2 -0.156 3.794 3.960 -0.015 0.000 0.686 362 G HA3 -0.156 3.794 3.960 -0.015 0.000 0.686 362 G C -2.261 172.943 174.900 0.505 0.000 1.256 362 G CA -0.321 45.040 45.100 0.435 0.000 0.826 362 G HN -0.152 nan 8.290 nan 0.000 0.619 363 P HA -0.155 nan 4.420 nan 0.000 0.218 363 P C 1.282 178.707 177.300 0.208 0.000 1.149 363 P CA 1.770 64.939 63.100 0.115 0.000 0.817 363 P CB -0.098 31.421 31.700 -0.302 0.000 0.785 364 H N -0.689 118.447 119.070 0.110 0.000 2.321 364 H HA -0.134 4.413 4.556 -0.016 0.000 0.300 364 H C 1.627 176.898 175.328 -0.095 0.000 1.087 364 H CA 1.442 57.478 56.048 -0.020 0.000 1.319 364 H CB -0.436 29.257 29.762 -0.116 0.000 1.379 364 H HN 0.077 nan 8.280 nan 0.000 0.501 365 Y N -0.922 119.400 120.300 0.036 0.000 2.439 365 Y HA -0.160 4.380 4.550 -0.016 0.000 0.292 365 Y C 2.415 178.253 175.900 -0.102 0.000 1.130 365 Y CA 0.876 58.960 58.100 -0.027 0.000 1.254 365 Y CB -0.440 38.074 38.460 0.089 0.000 1.000 365 Y HN 0.325 nan 8.280 nan 0.000 0.554 366 W N 0.409 121.599 121.300 -0.183 0.000 2.338 366 W HA -0.321 4.330 4.660 -0.015 0.000 0.304 366 W C 2.511 178.790 176.519 -0.401 0.000 1.212 366 W CA 2.087 59.095 57.345 -0.561 0.000 1.264 366 W CB -0.270 29.094 29.460 -0.160 0.000 1.142 366 W HN 0.058 nan 8.180 nan 0.000 0.512 367 M N 0.485 120.092 119.600 0.012 0.000 2.065 367 M HA -0.248 4.223 4.480 -0.015 0.000 0.259 367 M C 2.327 178.389 176.300 -0.397 0.000 1.071 367 M CA 3.046 58.257 55.300 -0.148 0.000 1.109 367 M CB -0.923 31.607 32.600 -0.116 0.000 1.313 367 M HN 0.184 nan 8.290 nan 0.000 0.408 368 T N -2.130 112.186 114.554 -0.397 0.000 2.708 368 T HA -0.064 4.277 4.350 -0.015 0.000 0.266 368 T C 1.881 176.460 174.700 -0.202 0.000 1.037 368 T CA 1.446 63.385 62.100 -0.268 0.000 1.146 368 T CB -1.670 67.032 68.868 -0.276 0.000 0.865 368 T HN 0.552 nan 8.240 nan 0.000 0.435 369 G N 1.610 110.274 108.800 -0.227 0.000 2.459 369 G HA2 -0.162 3.789 3.960 -0.015 0.000 0.217 369 G HA3 -0.162 3.789 3.960 -0.015 0.000 0.217 369 G C 1.623 176.345 174.900 -0.297 0.000 1.183 369 G CA 1.192 46.180 45.100 -0.186 0.000 0.776 369 G HN 0.325 nan 8.290 nan 0.000 0.552 370 M N 1.213 120.429 119.600 -0.639 0.000 2.229 370 M HA 0.131 4.602 4.480 -0.015 0.000 0.264 370 M C 2.976 179.020 176.300 -0.426 0.000 1.063 370 M CA 0.797 55.745 55.300 -0.587 0.000 1.114 370 M CB -1.314 30.623 32.600 -1.105 0.000 1.387 370 M HN 0.324 nan 8.290 nan 0.000 0.420 371 A N -0.766 121.756 122.820 -0.496 0.000 1.892 371 A HA -0.205 4.105 4.320 -0.015 0.000 0.218 371 A C 1.801 179.146 177.584 -0.399 0.000 1.188 371 A CA 1.734 53.435 52.037 -0.560 0.000 0.631 371 A CB -0.934 17.583 19.000 -0.806 0.000 0.822 371 A HN 0.481 nan 8.150 nan 0.000 0.447 372 Y N -1.461 118.822 120.300 -0.027 0.000 2.510 372 Y HA 0.210 4.750 4.550 -0.015 0.000 0.273 372 Y C 1.929 177.803 175.900 -0.044 0.000 1.119 372 Y CA 0.133 58.244 58.100 0.018 0.000 1.286 372 Y CB -0.319 38.185 38.460 0.073 0.000 1.061 372 Y HN 0.339 nan 8.280 nan 0.000 0.542 373 L N -0.303 120.928 121.223 0.013 0.000 2.072 373 L HA -0.116 4.215 4.340 -0.015 0.000 0.205 373 L C 1.997 178.757 176.870 -0.183 0.000 1.079 373 L CA 1.557 56.316 54.840 -0.135 0.000 0.752 373 L CB -0.436 41.498 42.059 -0.209 0.000 0.906 373 L HN 0.118 nan 8.230 nan 0.000 0.436 374 I N -0.107 120.369 120.570 -0.157 0.000 2.163 374 I HA -0.323 3.838 4.170 -0.015 0.000 0.243 374 I C 2.474 178.563 176.117 -0.046 0.000 1.085 374 I CA 1.694 62.918 61.300 -0.127 0.000 1.347 374 I CB -0.384 37.488 38.000 -0.214 0.000 1.044 374 I HN 0.373 nan 8.210 nan 0.000 0.408 375 E N 0.633 120.844 120.200 0.017 0.000 2.085 375 E HA -0.260 4.081 4.350 -0.015 0.000 0.194 375 E C 2.314 178.968 176.600 0.090 0.000 0.994 375 E CA 1.417 57.889 56.400 0.120 0.000 0.801 375 E CB -0.189 29.666 29.700 0.258 0.000 0.743 375 E HN 0.553 nan 8.360 nan 0.000 0.453 376 A N 1.483 124.320 122.820 0.028 0.000 1.873 376 A HA -0.093 4.218 4.320 -0.015 0.000 0.215 376 A C 2.415 179.952 177.584 -0.078 0.000 1.186 376 A CA 1.688 53.717 52.037 -0.013 0.000 0.616 376 A CB -0.676 18.299 19.000 -0.041 0.000 0.823 376 A HN 0.296 nan 8.150 nan 0.000 0.442 377 A N 0.344 123.029 122.820 -0.225 0.000 1.908 377 A HA -0.230 4.080 4.320 -0.015 0.000 0.218 377 A C 1.917 179.380 177.584 -0.201 0.000 1.181 377 A CA 2.021 53.811 52.037 -0.412 0.000 0.627 377 A CB -0.695 17.707 19.000 -0.996 0.000 0.818 377 A HN 0.551 nan 8.150 nan 0.000 0.445 378 N N 0.112 118.797 118.700 -0.025 0.000 2.142 378 N HA -0.069 4.662 4.740 -0.015 0.000 0.186 378 N C 1.631 177.233 175.510 0.153 0.000 1.023 378 N CA 1.321 54.455 53.050 0.140 0.000 0.852 378 N CB -0.519 38.082 38.487 0.191 0.000 0.998 378 N HN 0.513 nan 8.380 nan 0.000 0.424 379 L N 0.375 121.679 121.223 0.136 0.000 2.056 379 L HA -0.050 4.281 4.340 -0.015 0.000 0.207 379 L C 2.067 179.023 176.870 0.143 0.000 1.078 379 L CA 0.828 55.755 54.840 0.146 0.000 0.749 379 L CB -0.308 41.811 42.059 0.100 0.000 0.901 379 L HN 0.106 nan 8.230 nan 0.000 0.433 380 I N -0.751 119.882 120.570 0.106 0.000 2.252 380 I HA -0.261 3.900 4.170 -0.015 0.000 0.245 380 I C 2.858 179.053 176.117 0.129 0.000 1.102 380 I CA 0.986 62.374 61.300 0.146 0.000 1.385 380 I CB -0.328 37.739 38.000 0.112 0.000 1.064 380 I HN 0.219 nan 8.210 nan 0.000 0.414 381 R N 0.526 121.057 120.500 0.053 0.000 2.083 381 R HA -0.216 4.115 4.340 -0.015 0.000 0.237 381 R C 2.500 178.843 176.300 0.072 0.000 1.137 381 R CA 2.090 58.211 56.100 0.035 0.000 0.951 381 R CB -0.347 29.965 30.300 0.020 0.000 0.851 381 R HN 0.238 nan 8.270 nan 0.000 0.434 382 S N -0.623 115.147 115.700 0.116 0.000 2.382 382 S HA -0.194 4.267 4.470 -0.015 0.000 0.228 382 S C 1.739 176.422 174.600 0.139 0.000 1.027 382 S CA 1.238 59.513 58.200 0.125 0.000 0.991 382 S CB -0.355 62.956 63.200 0.185 0.000 0.823 382 S HN 0.571 nan 8.310 nan 0.000 0.469 383 Y N 2.048 122.361 120.300 0.022 0.000 2.269 383 Y HA 0.275 4.816 4.550 -0.016 0.000 0.294 383 Y C 1.546 177.448 175.900 0.003 0.000 1.120 383 Y CA 1.291 59.389 58.100 -0.002 0.000 1.159 383 Y CB 0.003 38.463 38.460 -0.001 0.000 1.024 383 Y HN 0.436 nan 8.280 nan 0.000 0.532 384 I N -3.935 116.582 120.570 -0.088 0.000 4.147 384 I HA 0.541 4.701 4.170 -0.015 0.000 0.329 384 I C 1.403 177.504 176.117 -0.026 0.000 1.424 384 I CA 0.410 61.612 61.300 -0.163 0.000 1.127 384 I CB 0.487 38.408 38.000 -0.132 0.000 1.128 384 I HN 0.125 nan 8.210 nan 0.000 0.417 385 G N 1.696 110.504 108.800 0.013 0.000 2.166 385 G HA2 -0.379 3.572 3.960 -0.015 0.000 0.260 385 G HA3 -0.379 3.572 3.960 -0.015 0.000 0.260 385 G C 0.020 174.966 174.900 0.078 0.000 0.986 385 G CA 0.702 45.817 45.100 0.026 0.000 0.683 385 G HN 0.647 nan 8.290 nan 0.000 0.527 386 Y N 1.474 121.759 120.300 -0.024 0.000 2.336 386 Y HA 0.556 5.097 4.550 -0.015 0.000 0.335 386 Y C -0.250 175.636 175.900 -0.023 0.000 1.046 386 Y CA -1.516 56.571 58.100 -0.022 0.000 1.198 386 Y CB 1.352 39.796 38.460 -0.027 0.000 1.182 386 Y HN 0.075 nan 8.280 nan 0.000 0.502 387 D N 6.287 126.319 120.400 -0.612 0.000 2.460 387 D HA 0.173 4.804 4.640 -0.015 0.000 0.232 387 D C 0.447 176.320 176.300 -0.712 0.000 1.079 387 D CA -0.127 53.580 54.000 -0.488 0.000 0.864 387 D CB 0.694 41.408 40.800 -0.143 0.000 1.048 387 D HN 0.820 nan 8.370 nan 0.000 0.523 388 L N 3.086 123.833 121.223 -0.794 0.000 2.131 388 L HA -0.175 4.156 4.340 -0.015 0.000 0.210 388 L C 1.366 178.056 176.870 -0.301 0.000 1.092 388 L CA 0.816 55.299 54.840 -0.594 0.000 0.759 388 L CB -0.300 41.376 42.059 -0.638 0.000 0.903 388 L HN 0.519 nan 8.230 nan 0.000 0.435 389 Y N -0.394 119.776 120.300 -0.215 0.000 2.569 389 Y HA -0.198 4.343 4.550 -0.015 0.000 0.293 389 Y C 2.501 178.501 175.900 0.165 0.000 1.144 389 Y CA 0.462 58.555 58.100 -0.011 0.000 1.321 389 Y CB -0.471 37.982 38.460 -0.012 0.000 0.982 389 Y HN 0.244 nan 8.280 nan 0.000 0.558 390 Q N 0.301 120.228 119.800 0.212 0.000 2.378 390 Q HA -0.009 4.322 4.340 -0.015 0.000 0.205 390 Q C 0.512 176.634 176.000 0.203 0.000 0.954 390 Q CA 0.477 56.386 55.803 0.176 0.000 0.901 390 Q CB -0.100 28.691 28.738 0.089 0.000 0.981 390 Q HN 0.427 nan 8.270 nan 0.000 0.483 391 R N 1.987 122.661 120.500 0.289 0.000 2.537 391 R HA 0.007 4.338 4.340 -0.015 0.000 0.280 391 R C -1.378 175.062 176.300 0.234 0.000 1.058 391 R CA -1.072 55.190 56.100 0.270 0.000 1.057 391 R CB 0.149 30.660 30.300 0.351 0.000 0.973 391 R HN -0.006 nan 8.270 nan 0.000 0.438 392 P HA -0.228 nan 4.420 nan 0.000 0.216 392 P C 1.128 178.471 177.300 0.072 0.000 1.150 392 P CA 1.298 64.456 63.100 0.097 0.000 0.837 392 P CB -0.077 31.662 31.700 0.065 0.000 0.786 393 F N 0.860 120.738 119.950 -0.119 0.000 2.095 393 F HA -0.211 4.306 4.527 -0.016 0.000 0.298 393 F C 1.890 177.576 175.800 -0.191 0.000 1.104 393 F CA 1.606 59.475 58.000 -0.218 0.000 1.232 393 F CB -1.108 37.660 39.000 -0.386 0.000 0.987 393 F HN -0.282 nan 8.300 nan 0.000 0.475 394 F N 0.483 120.373 119.950 -0.099 0.000 2.325 394 F HA -0.116 4.401 4.527 -0.015 0.000 0.299 394 F C 2.468 178.212 175.800 -0.094 0.000 1.090 394 F CA 0.897 58.814 58.000 -0.139 0.000 1.392 394 F CB -1.165 38.039 39.000 0.340 0.000 1.053 394 F HN 0.028 nan 8.300 nan 0.000 0.521 395 Q N 0.416 120.308 119.800 0.153 0.000 2.124 395 Q HA -0.163 4.167 4.340 -0.015 0.000 0.202 395 Q C 1.534 177.566 176.000 0.053 0.000 0.977 395 Q CA 1.648 57.531 55.803 0.133 0.000 0.850 395 Q CB -0.731 28.083 28.738 0.127 0.000 0.901 395 Q HN 0.576 nan 8.270 nan 0.000 0.429 396 N N -0.873 117.791 118.700 -0.060 0.000 2.388 396 N HA -0.042 4.688 4.740 -0.015 0.000 0.176 396 N C 1.508 176.933 175.510 -0.142 0.000 1.062 396 N CA 0.597 53.625 53.050 -0.035 0.000 0.895 396 N CB 0.161 38.648 38.487 -0.000 0.000 1.018 396 N HN 0.028 nan 8.380 nan 0.000 0.456 397 T N -0.238 114.033 114.554 -0.470 0.000 2.962 397 T HA -0.024 4.316 4.350 -0.015 0.000 0.270 397 T C 1.952 176.354 174.700 -0.498 0.000 1.088 397 T CA 1.130 62.910 62.100 -0.533 0.000 1.127 397 T CB -0.478 67.811 68.868 -0.965 0.000 0.883 397 T HN 0.362 nan 8.240 nan 0.000 0.493 398 G N 1.768 110.129 108.800 -0.731 0.000 2.462 398 G HA2 -0.251 3.700 3.960 -0.015 0.000 0.220 398 G HA3 -0.251 3.700 3.960 -0.015 0.000 0.220 398 G C 1.612 176.023 174.900 -0.815 0.000 1.121 398 G CA 0.935 45.462 45.100 -0.955 0.000 0.758 398 G HN 0.686 nan 8.290 nan 0.000 0.559 399 R N -1.120 119.218 120.500 -0.271 0.000 2.236 399 R HA 0.170 4.501 4.340 -0.015 0.000 0.208 399 R C 2.061 178.452 176.300 0.151 0.000 1.036 399 R CA 0.511 56.698 56.100 0.145 0.000 1.001 399 R CB -0.565 30.012 30.300 0.461 0.000 0.896 399 R HN 0.258 nan 8.270 nan 0.000 0.464 400 F N 3.912 123.665 119.950 -0.328 0.000 2.075 400 F HA -0.001 4.517 4.527 -0.015 0.000 0.297 400 F C -0.836 174.558 175.800 -0.676 0.000 1.113 400 F CA 0.780 58.391 58.000 -0.650 0.000 1.218 400 F CB -0.755 37.685 39.000 -0.932 0.000 0.984 400 F HN -0.008 nan 8.300 nan 0.000 0.472 401 P HA -0.132 nan 4.420 nan 0.000 0.223 401 P C 2.085 178.949 177.300 -0.726 0.000 1.151 401 P CA 1.014 63.549 63.100 -0.941 0.000 0.787 401 P CB -0.201 30.891 31.700 -1.014 0.000 0.788 402 L N -1.035 119.740 121.223 -0.747 0.000 2.083 402 L HA -0.113 4.218 4.340 -0.015 0.000 0.209 402 L C 2.185 178.856 176.870 -0.332 0.000 1.083 402 L CA 1.948 56.437 54.840 -0.585 0.000 0.752 402 L CB -1.273 40.561 42.059 -0.375 0.000 0.899 402 L HN -0.137 nan 8.230 nan 0.000 0.433 403 Y N -1.780 118.417 120.300 -0.173 0.000 2.478 403 Y HA 0.037 4.578 4.550 -0.016 0.000 0.261 403 Y C 2.178 178.018 175.900 -0.102 0.000 1.127 403 Y CA 0.905 58.985 58.100 -0.033 0.000 1.288 403 Y CB -0.025 38.539 38.460 0.173 0.000 1.084 403 Y HN 0.336 nan 8.280 nan 0.000 0.530 404 T N -4.346 110.094 114.554 -0.191 0.000 2.959 404 T HA 0.195 4.535 4.350 -0.015 0.000 0.254 404 T C 0.821 175.392 174.700 -0.215 0.000 1.003 404 T CA -0.058 61.896 62.100 -0.243 0.000 0.950 404 T CB 0.261 68.793 68.868 -0.559 0.000 1.090 404 T HN -0.149 nan 8.240 nan 0.000 0.503 405 K N 1.897 122.176 120.400 -0.201 0.000 3.239 405 K HA 0.603 4.914 4.320 -0.015 0.000 0.204 405 K C -0.106 176.543 176.600 0.082 0.000 1.126 405 K CA -0.288 55.950 56.287 -0.083 0.000 0.948 405 K CB 1.192 33.654 32.500 -0.063 0.000 0.818 405 K HN 0.447 nan 8.250 nan 0.000 0.480 406 A N 2.178 125.031 122.820 0.055 0.000 2.520 406 A HA 0.220 4.531 4.320 -0.015 0.000 0.235 406 A C -2.262 175.384 177.584 0.104 0.000 1.065 406 A CA -0.556 51.594 52.037 0.188 0.000 0.764 406 A CB -0.335 18.797 19.000 0.220 0.000 1.002 406 A HN 0.056 nan 8.150 nan 0.000 0.502 407 P HA 0.258 nan 4.420 nan 0.000 0.265 407 P C 1.099 178.408 177.300 0.015 0.000 1.193 407 P CA 1.779 64.839 63.100 -0.065 0.000 0.765 407 P CB 0.668 32.269 31.700 -0.164 0.000 0.823 408 G N 1.604 110.395 108.800 -0.015 0.000 2.268 408 G HA2 -0.229 3.722 3.960 -0.015 0.000 0.240 408 G HA3 -0.229 3.722 3.960 -0.015 0.000 0.240 408 G C 0.330 175.197 174.900 -0.055 0.000 1.010 408 G CA 0.290 45.419 45.100 0.049 0.000 0.618 408 G HN 0.824 nan 8.290 nan 0.000 0.516 409 T N -1.473 112.899 114.554 -0.304 0.000 2.869 409 T HA 0.716 5.057 4.350 -0.015 0.000 0.295 409 T C 1.035 175.634 174.700 -0.168 0.000 0.987 409 T CA 0.286 62.092 62.100 -0.491 0.000 1.109 409 T CB 1.883 70.340 68.868 -0.685 0.000 0.932 409 T HN 0.426 nan 8.240 nan 0.000 0.518 410 R N 1.320 121.778 120.500 -0.070 0.000 2.342 410 R HA 0.285 4.616 4.340 -0.015 0.000 0.204 410 R C 1.245 177.507 176.300 -0.064 0.000 0.882 410 R CA -0.106 55.975 56.100 -0.032 0.000 1.041 410 R CB 0.592 30.910 30.300 0.030 0.000 1.188 410 R HN 0.511 nan 8.270 nan 0.000 0.598 411 R N -0.073 120.378 120.500 -0.081 0.000 2.617 411 R HA 0.315 4.646 4.340 -0.015 0.000 0.432 411 R C -0.583 175.598 176.300 -0.198 0.000 1.018 411 R CA -0.045 55.974 56.100 -0.136 0.000 1.077 411 R CB 1.915 32.132 30.300 -0.138 0.000 1.394 411 R HN -0.006 nan 8.270 nan 0.000 0.608 412 A N 0.921 123.616 122.820 -0.209 0.000 2.793 412 A HA 0.230 4.540 4.320 -0.015 0.000 0.301 412 A C -0.104 177.285 177.584 -0.325 0.000 1.172 412 A CA -0.403 51.480 52.037 -0.257 0.000 0.973 412 A CB -0.346 18.547 19.000 -0.178 0.000 1.164 412 A HN 0.537 nan 8.150 nan 0.000 0.542 413 N N -2.018 116.442 118.700 -0.400 0.000 3.550 413 N HA 0.796 5.526 4.740 -0.015 0.000 0.345 413 N C -0.818 174.271 175.510 -0.701 0.000 1.647 413 N CA -0.703 52.123 53.050 -0.373 0.000 0.737 413 N CB 0.692 39.155 38.487 -0.040 0.000 2.178 413 N HN -0.056 nan 8.380 nan 0.000 0.638 414 F N -1.834 118.100 119.950 -0.028 0.000 2.629 414 F HA 0.807 5.324 4.527 -0.016 0.000 0.316 414 F C 0.647 176.484 175.800 0.061 0.000 1.081 414 F CA 0.119 58.048 58.000 -0.118 0.000 0.954 414 F CB 2.168 40.874 39.000 -0.490 0.000 1.337 414 F HN 0.922 nan 8.300 nan 0.000 0.474 415 G N 1.092 109.915 108.800 0.039 0.000 2.663 415 G HA2 -0.078 3.873 3.960 -0.015 0.000 0.686 415 G HA3 -0.078 3.873 3.960 -0.015 0.000 0.686 415 G C -1.640 173.268 174.900 0.013 0.000 1.288 415 G CA -1.292 43.704 45.100 -0.172 0.000 0.836 415 G HN 0.622 nan 8.290 nan 0.000 0.584 416 D N 0.591 121.083 120.400 0.154 0.000 2.488 416 D HA 0.426 5.056 4.640 -0.015 0.000 0.238 416 D C 0.069 176.568 176.300 0.331 0.000 1.138 416 D CA 1.170 55.427 54.000 0.428 0.000 0.873 416 D CB 1.239 42.386 40.800 0.579 0.000 1.183 416 D HN 0.571 nan 8.370 nan 0.000 0.458 417 D N -0.200 120.279 120.400 0.132 0.000 2.613 417 D HA 0.020 4.651 4.640 -0.015 0.000 0.230 417 D C 0.553 176.495 176.300 -0.597 0.000 1.365 417 D CA -0.516 53.276 54.000 -0.346 0.000 0.976 417 D CB 0.976 41.694 40.800 -0.136 0.000 1.415 417 D HN 0.111 nan 8.370 nan 0.000 0.589 418 S N 1.211 116.132 115.700 -1.299 0.000 2.515 418 S HA -0.116 4.345 4.470 -0.015 0.000 0.231 418 S C 1.490 175.690 174.600 -0.667 0.000 0.987 418 S CA 1.300 58.681 58.200 -1.365 0.000 0.936 418 S CB -0.354 62.061 63.200 -1.308 0.000 0.766 418 S HN 0.506 nan 8.310 nan 0.000 0.528 419 T N -0.819 113.400 114.554 -0.558 0.000 3.069 419 T HA 0.329 4.670 4.350 -0.015 0.000 0.252 419 T C 0.410 175.025 174.700 -0.142 0.000 1.053 419 T CA -0.574 61.349 62.100 -0.295 0.000 0.964 419 T CB -0.599 68.132 68.868 -0.228 0.000 1.005 419 T HN 0.277 nan 8.240 nan 0.000 0.532 420 L N 2.421 123.574 121.223 -0.116 0.000 2.706 420 L HA 0.373 4.703 4.340 -0.015 0.000 0.282 420 L C 1.333 178.216 176.870 0.021 0.000 1.219 420 L CA 1.859 56.678 54.840 -0.035 0.000 0.935 420 L CB -0.527 41.539 42.059 0.011 0.000 1.204 420 L HN 0.579 nan 8.230 nan 0.000 0.491 421 G N 2.401 111.201 108.800 0.001 0.000 2.279 421 G HA2 -0.225 3.725 3.960 -0.015 0.000 0.223 421 G HA3 -0.225 3.725 3.960 -0.015 0.000 0.223 421 G C 0.209 175.141 174.900 0.054 0.000 1.015 421 G CA 0.117 45.243 45.100 0.044 0.000 0.621 421 G HN 0.669 nan 8.290 nan 0.000 0.506 422 D N 0.644 121.061 120.400 0.028 0.000 2.387 422 D HA 0.579 5.209 4.640 -0.015 0.000 0.251 422 D C 1.326 177.628 176.300 0.004 0.000 1.141 422 D CA -0.471 53.542 54.000 0.022 0.000 0.987 422 D CB 0.717 41.514 40.800 -0.004 0.000 1.116 422 D HN 0.316 nan 8.370 nan 0.000 0.491 423 L N 1.080 122.309 121.223 0.010 0.000 2.482 423 L HA 0.140 4.471 4.340 -0.015 0.000 0.273 423 L C -1.870 174.989 176.870 -0.018 0.000 1.228 423 L CA -1.342 53.494 54.840 -0.006 0.000 0.827 423 L CB -0.334 41.723 42.059 -0.002 0.000 1.099 423 L HN 0.116 nan 8.230 nan 0.000 0.494 424 P HA -0.016 nan 4.420 nan 0.000 0.264 424 P C -0.019 177.284 177.300 0.005 0.000 1.183 424 P CA -0.008 63.082 63.100 -0.017 0.000 0.763 424 P CB 0.346 32.025 31.700 -0.035 0.000 0.807 425 G N 2.305 111.131 108.800 0.043 0.000 2.474 425 G HA2 -0.069 3.882 3.960 -0.015 0.000 0.233 425 G HA3 -0.069 3.882 3.960 -0.015 0.000 0.233 425 G C 0.956 175.911 174.900 0.091 0.000 1.278 425 G CA -0.370 44.782 45.100 0.088 0.000 0.861 425 G HN 0.535 nan 8.290 nan 0.000 0.567 426 L N 1.279 122.584 121.223 0.137 0.000 2.083 426 L HA -0.029 4.301 4.340 -0.015 0.000 0.209 426 L C 2.653 179.633 176.870 0.183 0.000 1.083 426 L CA 2.026 56.955 54.840 0.149 0.000 0.752 426 L CB -0.440 41.725 42.059 0.178 0.000 0.899 426 L HN 0.601 nan 8.230 nan 0.000 0.433 427 K N -0.726 119.710 120.400 0.059 0.000 2.280 427 K HA -0.105 4.206 4.320 -0.015 0.000 0.202 427 K C 1.991 178.586 176.600 -0.009 0.000 1.047 427 K CA 1.139 57.326 56.287 -0.167 0.000 0.942 427 K CB -0.333 31.791 32.500 -0.625 0.000 0.739 427 K HN 0.365 nan 8.250 nan 0.000 0.457 428 L N -0.780 120.507 121.223 0.106 0.000 2.012 428 L HA -0.171 4.159 4.340 -0.015 0.000 0.210 428 L C 2.329 179.408 176.870 0.349 0.000 1.073 428 L CA 1.687 56.685 54.840 0.262 0.000 0.748 428 L CB -0.871 41.330 42.059 0.237 0.000 0.891 428 L HN 0.446 nan 8.230 nan 0.000 0.431 429 G N -1.345 107.592 108.800 0.228 0.000 2.421 429 G HA2 -0.291 3.660 3.960 -0.015 0.000 0.216 429 G HA3 -0.291 3.660 3.960 -0.015 0.000 0.216 429 G C 1.301 176.387 174.900 0.310 0.000 1.171 429 G CA 0.651 45.880 45.100 0.215 0.000 0.775 429 G HN 0.260 nan 8.290 nan 0.000 0.543 430 Y N 1.474 121.875 120.300 0.168 0.000 2.181 430 Y HA -0.119 4.422 4.550 -0.015 0.000 0.288 430 Y C 2.907 178.682 175.900 -0.209 0.000 1.146 430 Y CA 1.446 59.524 58.100 -0.037 0.000 1.164 430 Y CB -0.231 38.143 38.460 -0.143 0.000 0.982 430 Y HN 0.119 nan 8.280 nan 0.000 0.515 431 N N -0.299 118.405 118.700 0.007 0.000 2.084 431 N HA -0.162 4.569 4.740 -0.015 0.000 0.190 431 N C 1.995 177.542 175.510 0.062 0.000 1.030 431 N CA 1.519 54.524 53.050 -0.076 0.000 0.849 431 N CB -0.828 37.648 38.487 -0.019 0.000 1.012 431 N HN 0.161 nan 8.380 nan 0.000 0.423 432 V N 1.345 121.419 119.914 0.266 0.000 2.407 432 V HA -0.164 3.946 4.120 -0.015 0.000 0.248 432 V C 2.518 178.641 176.094 0.048 0.000 1.055 432 V CA 1.333 63.779 62.300 0.244 0.000 1.049 432 V CB -0.451 31.506 31.823 0.225 0.000 0.662 432 V HN 0.305 nan 8.190 nan 0.000 0.455 433 R N 0.048 120.459 120.500 -0.148 0.000 2.091 433 R HA -0.284 4.047 4.340 -0.015 0.000 0.238 433 R C 2.402 178.362 176.300 -0.566 0.000 1.136 433 R CA 2.242 58.041 56.100 -0.500 0.000 0.959 433 R CB -0.276 29.288 30.300 -1.226 0.000 0.856 433 R HN 0.523 nan 8.270 nan 0.000 0.437 434 Q N -0.012 119.424 119.800 -0.606 0.000 2.112 434 Q HA -0.171 4.160 4.340 -0.015 0.000 0.206 434 Q C 1.609 177.198 176.000 -0.685 0.000 0.987 434 Q CA 2.084 57.480 55.803 -0.678 0.000 0.858 434 Q CB -0.340 27.926 28.738 -0.788 0.000 0.905 434 Q HN 0.400 nan 8.270 nan 0.000 0.420 435 F N -0.268 119.510 119.950 -0.286 0.000 2.325 435 F HA 0.119 4.637 4.527 -0.015 0.000 0.299 435 F C 2.185 178.007 175.800 0.036 0.000 1.090 435 F CA 0.689 58.575 58.000 -0.189 0.000 1.392 435 F CB -0.896 37.998 39.000 -0.177 0.000 1.053 435 F HN 0.195 nan 8.300 nan 0.000 0.521 436 A N 0.520 123.477 122.820 0.229 0.000 1.858 436 A HA -0.076 4.235 4.320 -0.015 0.000 0.216 436 A C 2.634 180.279 177.584 0.102 0.000 1.190 436 A CA 1.835 54.017 52.037 0.242 0.000 0.617 436 A CB -1.580 17.519 19.000 0.165 0.000 0.827 436 A HN 0.379 nan 8.150 nan 0.000 0.443 437 G N -0.728 108.090 108.800 0.029 0.000 2.475 437 G HA2 -0.139 3.811 3.960 -0.015 0.000 0.220 437 G HA3 -0.139 3.811 3.960 -0.015 0.000 0.220 437 G C 1.449 176.319 174.900 -0.049 0.000 1.125 437 G CA 1.341 46.443 45.100 0.003 0.000 0.755 437 G HN 0.355 nan 8.290 nan 0.000 0.565 438 V N 1.142 120.955 119.914 -0.168 0.000 2.548 438 V HA -0.078 4.032 4.120 -0.015 0.000 0.249 438 V C 2.997 179.139 176.094 0.080 0.000 1.055 438 V CA 2.309 64.576 62.300 -0.056 0.000 1.065 438 V CB -0.231 31.468 31.823 -0.206 0.000 0.681 438 V HN 0.665 nan 8.190 nan 0.000 0.462 439 T N -4.210 110.407 114.554 0.105 0.000 2.969 439 T HA 0.344 4.685 4.350 -0.015 0.000 0.250 439 T C 1.593 176.320 174.700 0.045 0.000 1.021 439 T CA 0.892 63.055 62.100 0.104 0.000 1.003 439 T CB 0.896 69.862 68.868 0.162 0.000 1.040 439 T HN 0.858 nan 8.240 nan 0.000 0.492 440 G N 2.023 110.849 108.800 0.044 0.000 2.162 440 G HA2 -0.267 3.684 3.960 -0.015 0.000 0.260 440 G HA3 -0.267 3.684 3.960 -0.015 0.000 0.260 440 G C -0.013 174.858 174.900 -0.049 0.000 0.976 440 G CA 0.050 45.157 45.100 0.010 0.000 0.655 440 G HN 0.731 nan 8.290 nan 0.000 0.533 441 N N 1.063 119.704 118.700 -0.099 0.000 2.420 441 N HA 0.334 5.064 4.740 -0.015 0.000 0.262 441 N C 1.579 176.975 175.510 -0.190 0.000 1.144 441 N CA 0.862 53.736 53.050 -0.294 0.000 0.952 441 N CB 0.785 38.806 38.487 -0.777 0.000 1.081 441 N HN 0.249 nan 8.380 nan 0.000 0.480 442 G N 2.485 111.163 108.800 -0.203 0.000 2.484 442 G HA2 -0.167 3.783 3.960 -0.015 0.000 0.218 442 G HA3 -0.167 3.783 3.960 -0.015 0.000 0.218 442 G C 1.122 176.043 174.900 0.035 0.000 1.130 442 G CA 0.565 45.617 45.100 -0.080 0.000 0.784 442 G HN 0.763 nan 8.290 nan 0.000 0.543 443 H N -1.056 118.014 119.070 -0.001 0.000 2.353 443 H HA -0.070 4.477 4.556 -0.015 0.000 0.300 443 H C 2.266 177.803 175.328 0.349 0.000 1.090 443 H CA 1.290 57.393 56.048 0.092 0.000 1.327 443 H CB 0.016 29.747 29.762 -0.053 0.000 1.383 443 H HN 0.297 nan 8.280 nan 0.000 0.508 444 Y N 0.858 121.319 120.300 0.269 0.000 2.181 444 Y HA -0.222 4.318 4.550 -0.016 0.000 0.288 444 Y C 2.720 178.790 175.900 0.282 0.000 1.146 444 Y CA 1.169 59.409 58.100 0.234 0.000 1.164 444 Y CB -0.827 37.721 38.460 0.146 0.000 0.982 444 Y HN 0.246 nan 8.280 nan 0.000 0.515 445 Q N -0.661 119.368 119.800 0.381 0.000 2.046 445 Q HA -0.202 4.129 4.340 -0.015 0.000 0.200 445 Q C 2.242 178.462 176.000 0.367 0.000 0.975 445 Q CA 1.906 57.886 55.803 0.294 0.000 0.836 445 Q CB -0.813 28.038 28.738 0.189 0.000 0.896 445 Q HN 0.496 nan 8.270 nan 0.000 0.428 446 W N -0.259 121.177 121.300 0.227 0.000 2.318 446 W HA -0.326 4.325 4.660 -0.015 0.000 0.313 446 W C 1.944 178.634 176.519 0.285 0.000 1.221 446 W CA 2.206 59.697 57.345 0.244 0.000 1.266 446 W CB -0.734 28.847 29.460 0.203 0.000 1.150 446 W HN 0.352 nan 8.180 nan 0.000 0.496 447 Y N 0.031 120.593 120.300 0.436 0.000 2.128 447 Y HA -0.339 4.201 4.550 -0.016 0.000 0.284 447 Y C 2.426 178.323 175.900 -0.006 0.000 1.154 447 Y CA 2.553 60.768 58.100 0.192 0.000 1.149 447 Y CB -1.386 37.232 38.460 0.264 0.000 0.976 447 Y HN 0.107 nan 8.280 nan 0.000 0.505 448 F N 1.270 121.227 119.950 0.012 0.000 2.065 448 F HA -0.287 4.231 4.527 -0.016 0.000 0.298 448 F C 2.115 177.710 175.800 -0.343 0.000 1.112 448 F CA 2.340 60.216 58.000 -0.206 0.000 1.212 448 F CB -0.768 38.105 39.000 -0.211 0.000 0.975 448 F HN 0.075 nan 8.300 nan 0.000 0.476 449 D N -0.625 119.488 120.400 -0.479 0.000 2.116 449 D HA -0.220 4.411 4.640 -0.015 0.000 0.193 449 D C 2.238 178.059 176.300 -0.799 0.000 0.998 449 D CA 1.861 55.458 54.000 -0.671 0.000 0.836 449 D CB -0.657 39.861 40.800 -0.470 0.000 0.951 449 D HN 0.532 nan 8.370 nan 0.000 0.449 450 H N -0.433 118.173 119.070 -0.773 0.000 2.448 450 H HA 0.034 4.580 4.556 -0.015 0.000 0.292 450 H C 2.207 177.183 175.328 -0.587 0.000 1.035 450 H CA 0.163 55.777 56.048 -0.723 0.000 1.349 450 H CB 0.520 29.680 29.762 -1.003 0.000 1.425 450 H HN 0.102 nan 8.280 nan 0.000 0.539 451 I N 1.431 121.660 120.570 -0.568 0.000 2.179 451 I HA -0.242 3.919 4.170 -0.015 0.000 0.242 451 I C 2.531 178.417 176.117 -0.385 0.000 1.088 451 I CA 1.146 62.151 61.300 -0.491 0.000 1.357 451 I CB -0.746 36.898 38.000 -0.594 0.000 1.051 451 I HN 0.159 nan 8.210 nan 0.000 0.409 452 K N 1.036 121.115 120.400 -0.536 0.000 2.032 452 K HA -0.178 4.133 4.320 -0.015 0.000 0.209 452 K C 2.203 178.605 176.600 -0.329 0.000 1.048 452 K CA 1.721 57.729 56.287 -0.465 0.000 0.927 452 K CB -0.059 31.946 32.500 -0.826 0.000 0.712 452 K HN 0.242 nan 8.250 nan 0.000 0.441 453 A N 1.467 124.055 122.820 -0.387 0.000 1.940 453 A HA -0.202 4.108 4.320 -0.015 0.000 0.219 453 A C 1.549 179.020 177.584 -0.189 0.000 1.176 453 A CA 2.170 54.034 52.037 -0.288 0.000 0.631 453 A CB -0.494 18.291 19.000 -0.357 0.000 0.814 453 A HN 0.417 nan 8.150 nan 0.000 0.446 454 D N -0.726 119.565 120.400 -0.183 0.000 2.249 454 D HA 0.171 4.801 4.640 -0.015 0.000 0.205 454 D C 1.699 177.955 176.300 -0.074 0.000 0.962 454 D CA 1.252 55.186 54.000 -0.109 0.000 0.860 454 D CB -0.061 40.678 40.800 -0.102 0.000 0.955 454 D HN 0.451 nan 8.370 nan 0.000 0.505 455 A N 0.290 123.060 122.820 -0.084 0.000 2.343 455 A HA 0.153 4.464 4.320 -0.015 0.000 0.223 455 A C 0.915 178.496 177.584 -0.005 0.000 1.214 455 A CA -0.074 51.949 52.037 -0.023 0.000 0.900 455 A CB -0.367 18.632 19.000 -0.003 0.000 0.942 455 A HN 0.177 nan 8.150 nan 0.000 0.507 456 T N -2.341 112.189 114.554 -0.039 0.000 2.937 456 T HA 0.404 4.744 4.350 -0.015 0.000 0.316 456 T C 1.327 176.015 174.700 -0.019 0.000 1.079 456 T CA 0.580 62.664 62.100 -0.026 0.000 1.131 456 T CB 1.014 69.850 68.868 -0.054 0.000 1.000 456 T HN 1.592 nan 8.240 nan 0.000 0.549 457 G N 0.986 109.775 108.800 -0.019 0.000 2.232 457 G HA2 -0.284 3.667 3.960 -0.015 0.000 0.226 457 G HA3 -0.284 3.667 3.960 -0.015 0.000 0.226 457 G C 0.792 175.673 174.900 -0.033 0.000 0.996 457 G CA 0.423 45.504 45.100 -0.030 0.000 0.626 457 G HN 1.068 nan 8.290 nan 0.000 0.509 458 T N 0.099 114.652 114.554 -0.003 0.000 3.122 458 T HA 0.334 4.675 4.350 -0.015 0.000 0.250 458 T C 1.828 176.503 174.700 -0.042 0.000 1.067 458 T CA 1.293 63.389 62.100 -0.007 0.000 0.966 458 T CB -0.025 68.914 68.868 0.119 0.000 1.002 458 T HN 0.360 nan 8.240 nan 0.000 0.542 459 E N 0.905 121.097 120.200 -0.014 0.000 2.085 459 E HA -0.090 4.250 4.350 -0.015 0.000 0.194 459 E C 1.645 178.243 176.600 -0.003 0.000 0.994 459 E CA 1.222 57.632 56.400 0.017 0.000 0.801 459 E CB -0.153 29.554 29.700 0.012 0.000 0.743 459 E HN 0.350 nan 8.360 nan 0.000 0.453 460 M N -0.078 119.457 119.600 -0.108 0.000 2.558 460 M HA 0.221 4.691 4.480 -0.015 0.000 0.255 460 M C 0.122 176.252 176.300 -0.283 0.000 1.113 460 M CA 0.032 55.207 55.300 -0.208 0.000 1.097 460 M CB 0.024 32.453 32.600 -0.284 0.000 1.426 460 M HN -0.034 nan 8.290 nan 0.000 0.488 461 A N -0.043 122.579 122.820 -0.329 0.000 2.498 461 A HA 0.156 4.466 4.320 -0.015 0.000 0.239 461 A C 0.419 177.769 177.584 -0.390 0.000 1.068 461 A CA -0.219 51.492 52.037 -0.543 0.000 0.766 461 A CB -0.380 18.117 19.000 -0.839 0.000 1.003 461 A HN 0.433 nan 8.150 nan 0.000 0.497 462 F N 1.037 120.876 119.950 -0.185 0.000 2.333 462 F HA -0.151 4.367 4.527 -0.015 0.000 0.300 462 F C 1.875 177.791 175.800 0.194 0.000 1.083 462 F CA 1.727 59.754 58.000 0.045 0.000 1.395 462 F CB -1.133 37.918 39.000 0.086 0.000 1.056 462 F HN 0.829 nan 8.300 nan 0.000 0.529 463 Y N -2.399 118.151 120.300 0.417 0.000 2.583 463 Y HA 0.142 4.683 4.550 -0.015 0.000 0.293 463 Y C 1.705 177.712 175.900 0.179 0.000 1.157 463 Y CA 0.245 58.518 58.100 0.288 0.000 1.315 463 Y CB -0.919 37.619 38.460 0.129 0.000 1.021 463 Y HN -0.079 nan 8.280 nan 0.000 0.536 464 N N -0.544 118.214 118.700 0.098 0.000 2.638 464 N HA -0.082 4.649 4.740 -0.015 0.000 0.220 464 N C 1.487 177.044 175.510 0.078 0.000 1.031 464 N CA 0.737 53.888 53.050 0.168 0.000 1.062 464 N CB -1.052 37.580 38.487 0.241 0.000 1.406 464 N HN 0.322 nan 8.380 nan 0.000 0.495 465 Y N 2.060 122.409 120.300 0.082 0.000 2.151 465 Y HA -0.091 4.450 4.550 -0.016 0.000 0.284 465 Y C 1.943 177.966 175.900 0.205 0.000 1.166 465 Y CA 2.014 60.217 58.100 0.171 0.000 1.163 465 Y CB -0.683 37.883 38.460 0.178 0.000 0.974 465 Y HN 0.104 nan 8.280 nan 0.000 0.511 466 G N -2.381 106.490 108.800 0.119 0.000 2.956 466 G HA2 -0.124 3.826 3.960 -0.015 0.000 0.207 466 G HA3 -0.124 3.826 3.960 -0.015 0.000 0.207 466 G C 0.531 175.078 174.900 -0.588 0.000 1.162 466 G CA 0.473 45.446 45.100 -0.211 0.000 0.796 466 G HN 0.602 nan 8.290 nan 0.000 0.527 467 W N -1.466 119.583 121.300 -0.418 0.000 3.336 467 W HA 0.387 5.038 4.660 -0.015 0.000 0.221 467 W C -0.484 175.787 176.519 -0.413 0.000 1.086 467 W CA -0.558 56.369 57.345 -0.697 0.000 1.457 467 W CB 0.615 29.146 29.460 -1.548 0.000 0.756 467 W HN 0.188 nan 8.180 nan 0.000 0.783 468 W N 0.002 121.514 121.300 0.353 0.000 3.571 468 W HA 0.419 5.070 4.660 -0.015 0.000 0.294 468 W C -1.502 175.120 176.519 0.171 0.000 1.257 468 W CA -1.423 56.075 57.345 0.255 0.000 1.206 468 W CB -0.014 29.518 29.460 0.119 0.000 1.325 468 W HN -0.383 nan 8.180 nan 0.000 0.546 469 D N 2.645 123.241 120.400 0.326 0.000 2.396 469 D HA 0.263 4.894 4.640 -0.015 0.000 0.225 469 D C 0.582 176.952 176.300 0.117 0.000 1.121 469 D CA -0.240 53.783 54.000 0.038 0.000 0.853 469 D CB 1.299 41.917 40.800 -0.304 0.000 1.043 469 D HN 0.654 nan 8.370 nan 0.000 0.500 470 L N 3.308 124.550 121.223 0.032 0.000 2.376 470 L HA -0.070 4.261 4.340 -0.015 0.000 0.219 470 L C 1.709 178.576 176.870 -0.005 0.000 1.133 470 L CA 0.537 55.295 54.840 -0.137 0.000 0.816 470 L CB -0.248 41.527 42.059 -0.472 0.000 0.933 470 L HN 0.344 nan 8.230 nan 0.000 0.449 471 N N -0.050 118.686 118.700 0.060 0.000 2.188 471 N HA -0.212 4.519 4.740 -0.015 0.000 0.184 471 N C 1.708 177.320 175.510 0.171 0.000 1.018 471 N CA 0.986 54.119 53.050 0.139 0.000 0.858 471 N CB -0.192 38.371 38.487 0.127 0.000 0.989 471 N HN 0.159 nan 8.380 nan 0.000 0.426 472 F N 2.062 122.004 119.950 -0.013 0.000 2.146 472 F HA -0.094 4.424 4.527 -0.015 0.000 0.298 472 F C 1.531 177.141 175.800 -0.316 0.000 1.096 472 F CA 1.237 59.074 58.000 -0.273 0.000 1.275 472 F CB -0.207 38.691 39.000 -0.170 0.000 1.008 472 F HN -0.072 nan 8.300 nan 0.000 0.480 473 D N 0.407 120.676 120.400 -0.218 0.000 2.117 473 D HA -0.182 4.449 4.640 -0.015 0.000 0.197 473 D C 1.933 178.114 176.300 -0.199 0.000 0.987 473 D CA 1.553 55.399 54.000 -0.257 0.000 0.829 473 D CB -0.552 40.175 40.800 -0.122 0.000 0.961 473 D HN 0.287 nan 8.370 nan 0.000 0.460 474 D N 0.142 120.500 120.400 -0.070 0.000 2.103 474 D HA -0.146 4.484 4.640 -0.015 0.000 0.190 474 D C 2.194 178.456 176.300 -0.065 0.000 0.997 474 D CA 0.493 54.496 54.000 0.005 0.000 0.833 474 D CB -0.479 40.375 40.800 0.090 0.000 0.961 474 D HN 0.123 nan 8.370 nan 0.000 0.447 475 L N 0.704 121.794 121.223 -0.222 0.000 2.012 475 L HA -0.174 4.156 4.340 -0.015 0.000 0.210 475 L C 2.322 178.977 176.870 -0.360 0.000 1.073 475 L CA 1.400 56.072 54.840 -0.279 0.000 0.748 475 L CB -0.475 41.229 42.059 -0.591 0.000 0.891 475 L HN -0.105 nan 8.230 nan 0.000 0.431 476 V N -1.100 118.333 119.914 -0.802 0.000 2.295 476 V HA -0.336 3.775 4.120 -0.015 0.000 0.246 476 V C 2.270 178.301 176.094 -0.104 0.000 1.049 476 V CA 2.165 63.990 62.300 -0.790 0.000 1.024 476 V CB -0.985 30.122 31.823 -1.192 0.000 0.648 476 V HN 0.629 nan 8.190 nan 0.000 0.447 477 Y N 1.104 121.302 120.300 -0.170 0.000 2.145 477 Y HA -0.227 4.314 4.550 -0.015 0.000 0.286 477 Y C 2.763 178.707 175.900 0.073 0.000 1.145 477 Y CA 1.813 59.905 58.100 -0.013 0.000 1.148 477 Y CB -0.205 38.174 38.460 -0.136 0.000 0.981 477 Y HN 0.064 nan 8.280 nan 0.000 0.507 478 R N -1.013 119.568 120.500 0.133 0.000 2.091 478 R HA -0.233 4.098 4.340 -0.015 0.000 0.238 478 R C 2.398 178.741 176.300 0.071 0.000 1.136 478 R CA 1.571 57.724 56.100 0.089 0.000 0.959 478 R CB -0.736 29.644 30.300 0.134 0.000 0.856 478 R HN 0.505 nan 8.270 nan 0.000 0.437 479 H N 0.663 119.797 119.070 0.105 0.000 2.363 479 H HA -0.077 4.469 4.556 -0.015 0.000 0.301 479 H C 0.843 176.211 175.328 0.067 0.000 1.074 479 H CA 1.523 57.681 56.048 0.184 0.000 1.354 479 H CB 0.329 30.338 29.762 0.411 0.000 1.397 479 H HN 0.119 nan 8.280 nan 0.000 0.516 480 D N -0.866 119.628 120.400 0.158 0.000 2.271 480 D HA 0.026 4.657 4.640 -0.015 0.000 0.206 480 D C -0.255 175.769 176.300 -0.460 0.000 0.967 480 D CA 0.522 54.498 54.000 -0.042 0.000 0.867 480 D CB 0.222 41.079 40.800 0.095 0.000 0.960 480 D HN 0.245 nan 8.370 nan 0.000 0.509 481 Y N 0.011 120.078 120.300 -0.389 0.000 2.499 481 Y HA 0.352 4.893 4.550 -0.015 0.000 0.347 481 Y C -2.040 173.607 175.900 -0.422 0.000 0.987 481 Y CA -2.561 55.228 58.100 -0.520 0.000 1.044 481 Y CB 1.901 39.770 38.460 -0.985 0.000 1.245 481 Y HN -0.238 nan 8.280 nan 0.000 0.461 482 P HA 0.039 nan 4.420 nan 0.000 0.271 482 P C -1.141 176.155 177.300 -0.007 0.000 1.216 482 P CA -0.312 62.759 63.100 -0.048 0.000 0.771 482 P CB 0.853 32.548 31.700 -0.008 0.000 0.864 483 Q N 1.446 121.261 119.800 0.025 0.000 2.314 483 Q HA 0.287 4.618 4.340 -0.015 0.000 0.258 483 Q C -0.031 176.019 176.000 0.084 0.000 0.954 483 Q CA -0.445 55.419 55.803 0.102 0.000 0.890 483 Q CB 0.697 29.491 28.738 0.093 0.000 1.210 483 Q HN 0.239 nan 8.270 nan 0.000 0.410 484 V N 2.239 122.215 119.914 0.103 0.000 2.532 484 V HA 0.210 4.321 4.120 -0.015 0.000 0.295 484 V C 0.366 176.501 176.094 0.068 0.000 1.041 484 V CA -0.712 61.632 62.300 0.072 0.000 0.926 484 V CB 1.587 33.455 31.823 0.076 0.000 0.992 484 V HN 0.666 nan 8.190 nan 0.000 0.457 485 E N 2.435 122.668 120.200 0.054 0.000 2.283 485 E HA 0.525 4.866 4.350 -0.015 0.000 0.278 485 E C -0.008 176.642 176.600 0.083 0.000 1.027 485 E CA -0.448 55.990 56.400 0.063 0.000 0.843 485 E CB 1.474 31.200 29.700 0.045 0.000 1.062 485 E HN 0.839 nan 8.360 nan 0.000 0.401 486 A N 2.953 125.850 122.820 0.129 0.000 2.520 486 A HA 0.206 4.517 4.320 -0.015 0.000 0.245 486 A C -0.105 177.592 177.584 0.187 0.000 1.072 486 A CA -0.244 51.921 52.037 0.213 0.000 0.761 486 A CB 0.290 19.455 19.000 0.275 0.000 1.004 486 A HN 0.376 nan 8.150 nan 0.000 0.499 487 V N 2.761 122.774 119.914 0.165 0.000 2.555 487 V HA 0.360 4.471 4.120 -0.015 0.000 0.302 487 V C 0.827 176.955 176.094 0.058 0.000 1.038 487 V CA -0.544 61.788 62.300 0.053 0.000 0.887 487 V CB 1.731 33.464 31.823 -0.149 0.000 0.991 487 V HN 1.032 nan 8.190 nan 0.000 0.434 488 S N 5.888 121.574 115.700 -0.023 0.000 2.552 488 S HA 0.115 4.576 4.470 -0.015 0.000 0.289 488 S C -1.311 173.107 174.600 -0.304 0.000 1.304 488 S CA -0.548 57.495 58.200 -0.262 0.000 1.063 488 S CB 0.701 63.826 63.200 -0.124 0.000 0.848 488 S HN 0.704 nan 8.310 nan 0.000 0.499 489 P HA 0.184 nan 4.420 nan 0.000 0.255 489 P C 0.810 177.818 177.300 -0.487 0.000 1.301 489 P CA 0.184 62.847 63.100 -0.728 0.000 0.817 489 P CB -0.250 30.808 31.700 -1.070 0.000 1.259 490 A N 1.864 124.488 122.820 -0.327 0.000 1.978 490 A HA -0.185 4.126 4.320 -0.015 0.000 0.220 490 A C 1.744 179.248 177.584 -0.134 0.000 1.170 490 A CA 2.004 53.925 52.037 -0.193 0.000 0.636 490 A CB -1.024 17.902 19.000 -0.123 0.000 0.810 490 A HN 0.301 nan 8.150 nan 0.000 0.448 491 D N -1.199 119.141 120.400 -0.099 0.000 2.340 491 D HA 0.140 4.771 4.640 -0.015 0.000 0.217 491 D C 0.394 176.647 176.300 -0.079 0.000 1.081 491 D CA -0.453 53.523 54.000 -0.040 0.000 0.842 491 D CB -0.561 40.258 40.800 0.031 0.000 0.934 491 D HN 0.278 nan 8.370 nan 0.000 0.511 492 L N 2.008 123.062 121.223 -0.282 0.000 2.499 492 L HA 0.235 4.566 4.340 -0.015 0.000 0.273 492 L C -2.205 174.606 176.870 -0.098 0.000 1.195 492 L CA -1.063 53.566 54.840 -0.352 0.000 0.882 492 L CB 0.149 41.852 42.059 -0.593 0.000 1.133 492 L HN -0.230 nan 8.230 nan 0.000 0.483 493 P HA 0.046 nan 4.420 nan 0.000 0.264 493 P C 0.009 177.394 177.300 0.142 0.000 1.193 493 P CA 0.295 63.437 63.100 0.071 0.000 0.763 493 P CB 0.843 32.589 31.700 0.076 0.000 0.810 494 A N 3.805 126.685 122.820 0.100 0.000 1.933 494 A HA -0.099 4.211 4.320 -0.015 0.000 0.218 494 A C 0.882 178.583 177.584 0.196 0.000 1.175 494 A CA 1.207 53.324 52.037 0.134 0.000 0.628 494 A CB -0.709 18.355 19.000 0.107 0.000 0.814 494 A HN 0.532 nan 8.150 nan 0.000 0.444 495 L N -0.804 120.485 121.223 0.110 0.000 2.296 495 L HA 0.703 5.034 4.340 -0.015 0.000 0.286 495 L C -0.309 176.466 176.870 -0.157 0.000 1.023 495 L CA -0.295 54.565 54.840 0.032 0.000 0.812 495 L CB 1.403 43.472 42.059 0.016 0.000 1.223 495 L HN 0.203 nan 8.230 nan 0.000 0.421 496 A N 5.241 127.851 122.820 -0.350 0.000 2.335 496 A HA 0.744 5.055 4.320 -0.015 0.000 0.304 496 A C -1.341 175.937 177.584 -0.509 0.000 1.118 496 A CA -0.544 51.063 52.037 -0.717 0.000 0.757 496 A CB 1.323 19.359 19.000 -1.606 0.000 1.188 496 A HN 0.486 nan 8.150 nan 0.000 0.460 497 V N 2.371 121.988 119.914 -0.495 0.000 2.435 497 V HA 0.441 4.551 4.120 -0.015 0.000 0.290 497 V C -0.949 174.861 176.094 -0.473 0.000 1.030 497 V CA -0.134 62.002 62.300 -0.272 0.000 0.881 497 V CB 0.905 32.667 31.823 -0.102 0.000 0.983 497 V HN 0.715 nan 8.190 nan 0.000 0.445 498 F N 2.561 122.565 119.950 0.090 0.000 2.319 498 F HA 0.305 4.822 4.527 -0.015 0.000 0.356 498 F C 1.158 177.014 175.800 0.093 0.000 1.100 498 F CA -0.603 57.435 58.000 0.062 0.000 1.220 498 F CB 0.785 39.810 39.000 0.042 0.000 1.506 498 F HN 0.541 nan 8.300 nan 0.000 0.512 499 D N 1.050 121.541 120.400 0.153 0.000 2.097 499 D HA -0.202 4.429 4.640 -0.015 0.000 0.195 499 D C 1.662 178.053 176.300 0.152 0.000 0.989 499 D CA 1.804 55.885 54.000 0.135 0.000 0.827 499 D CB 0.282 41.125 40.800 0.071 0.000 0.966 499 D HN 0.324 nan 8.370 nan 0.000 0.456 500 D N -0.404 120.077 120.400 0.134 0.000 2.149 500 D HA -0.121 4.510 4.640 -0.015 0.000 0.198 500 D C 2.037 178.478 176.300 0.236 0.000 0.990 500 D CA 1.024 55.105 54.000 0.135 0.000 0.839 500 D CB -0.263 40.594 40.800 0.094 0.000 0.948 500 D HN 0.594 nan 8.370 nan 0.000 0.460 501 I N -4.295 116.414 120.570 0.232 0.000 3.783 501 I HA 0.322 4.483 4.170 -0.015 0.000 0.310 501 I C 1.119 177.508 176.117 0.454 0.000 1.274 501 I CA 0.459 61.931 61.300 0.286 0.000 1.294 501 I CB 0.127 38.055 38.000 -0.121 0.000 1.051 501 I HN -0.025 nan 8.210 nan 0.000 0.435 502 G N 1.183 110.216 108.800 0.388 0.000 2.256 502 G HA2 -0.241 3.709 3.960 -0.015 0.000 0.272 502 G HA3 -0.241 3.709 3.960 -0.015 0.000 0.272 502 G C -0.771 174.372 174.900 0.405 0.000 1.076 502 G CA -0.174 45.125 45.100 0.332 0.000 0.882 502 G HN 0.421 nan 8.290 nan 0.000 0.497 503 W N -0.443 120.963 121.300 0.177 0.000 2.587 503 W HA 0.773 5.424 4.660 -0.016 0.000 0.324 503 W C 0.093 176.805 176.519 0.321 0.000 1.040 503 W CA -0.860 56.614 57.345 0.214 0.000 1.222 503 W CB 1.939 31.563 29.460 0.274 0.000 1.381 503 W HN 0.806 nan 8.180 nan 0.000 0.483 504 A N 2.169 125.274 122.820 0.474 0.000 2.343 504 A HA 0.852 5.163 4.320 -0.015 0.000 0.316 504 A C -0.331 177.476 177.584 0.371 0.000 1.104 504 A CA -0.599 51.670 52.037 0.387 0.000 0.768 504 A CB 0.850 20.055 19.000 0.342 0.000 1.213 504 A HN 0.511 nan 8.150 nan 0.000 0.456 505 T N -0.312 114.437 114.554 0.325 0.000 2.887 505 T HA 0.775 5.115 4.350 -0.015 0.000 0.288 505 T C -0.596 174.284 174.700 0.300 0.000 1.021 505 T CA -0.484 61.816 62.100 0.333 0.000 1.000 505 T CB 0.955 70.077 68.868 0.423 0.000 1.034 505 T HN 0.429 nan 8.240 nan 0.000 0.467 506 I N 2.302 123.068 120.570 0.326 0.000 2.447 506 I HA 0.357 4.518 4.170 -0.015 0.000 0.287 506 I C -0.462 175.768 176.117 0.189 0.000 1.023 506 I CA -0.850 60.579 61.300 0.214 0.000 1.083 506 I CB 2.070 40.085 38.000 0.026 0.000 1.245 506 I HN 0.475 nan 8.210 nan 0.000 0.434 507 Q N 6.186 126.103 119.800 0.194 0.000 2.331 507 Q HA 0.531 4.861 4.340 -0.015 0.000 0.267 507 Q C -1.063 174.986 176.000 0.082 0.000 1.006 507 Q CA -0.879 54.999 55.803 0.125 0.000 0.818 507 Q CB 3.126 31.873 28.738 0.015 0.000 1.276 507 Q HN 0.386 nan 8.270 nan 0.000 0.450 508 K N 1.847 122.308 120.400 0.102 0.000 2.378 508 K HA 0.244 4.554 4.320 -0.015 0.000 0.252 508 K C -0.700 175.958 176.600 0.097 0.000 0.931 508 K CA -0.638 55.698 56.287 0.082 0.000 0.794 508 K CB 1.458 34.018 32.500 0.099 0.000 1.181 508 K HN 0.515 nan 8.250 nan 0.000 0.425 509 D N 1.991 122.398 120.400 0.013 0.000 2.686 509 D HA -0.240 4.391 4.640 -0.015 0.000 0.235 509 D C 0.964 177.226 176.300 -0.063 0.000 1.160 509 D CA 0.617 54.607 54.000 -0.018 0.000 0.645 509 D CB -0.684 40.132 40.800 0.027 0.000 1.039 509 D HN 0.651 nan 8.370 nan 0.000 0.423 510 M N 0.246 119.718 119.600 -0.214 0.000 2.144 510 M HA -0.237 4.234 4.480 -0.015 0.000 0.260 510 M C 2.030 178.068 176.300 -0.436 0.000 1.067 510 M CA 1.916 56.883 55.300 -0.555 0.000 1.095 510 M CB 0.152 32.444 32.600 -0.513 0.000 1.365 510 M HN 0.115 nan 8.290 nan 0.000 0.406 511 E N -0.540 119.484 120.200 -0.293 0.000 2.481 511 E HA -0.087 4.254 4.350 -0.015 0.000 0.195 511 E C -0.361 176.240 176.600 0.002 0.000 1.047 511 E CA 0.498 56.842 56.400 -0.092 0.000 0.867 511 E CB -0.482 29.126 29.700 -0.153 0.000 0.858 511 E HN 0.386 nan 8.360 nan 0.000 0.513 512 D N 2.187 122.581 120.400 -0.009 0.000 2.454 512 D HA 0.148 4.778 4.640 -0.015 0.000 0.225 512 D C -1.739 174.628 176.300 0.111 0.000 1.081 512 D CA -2.500 51.533 54.000 0.054 0.000 0.864 512 D CB 1.723 42.552 40.800 0.047 0.000 1.040 512 D HN -0.143 nan 8.370 nan 0.000 0.517 513 P HA -0.078 nan 4.420 nan 0.000 0.223 513 P C 0.227 177.621 177.300 0.157 0.000 1.144 513 P CA 0.823 64.021 63.100 0.162 0.000 0.783 513 P CB 0.633 32.410 31.700 0.128 0.000 0.771 514 D N -1.232 119.247 120.400 0.132 0.000 2.407 514 D HA 0.102 4.732 4.640 -0.015 0.000 0.208 514 D C 1.678 178.069 176.300 0.152 0.000 1.083 514 D CA 0.229 54.308 54.000 0.132 0.000 0.844 514 D CB 0.340 41.209 40.800 0.115 0.000 0.967 514 D HN 0.230 nan 8.370 nan 0.000 0.506 515 R N -0.621 119.953 120.500 0.124 0.000 2.487 515 R HA 0.105 4.435 4.340 -0.015 0.000 0.272 515 R C 0.585 176.918 176.300 0.055 0.000 0.928 515 R CA -0.314 55.820 56.100 0.057 0.000 1.077 515 R CB 0.803 31.140 30.300 0.062 0.000 1.265 515 R HN 0.207 nan 8.270 nan 0.000 0.537 516 H N 1.567 120.660 119.070 0.038 0.000 3.157 516 H HA 0.037 4.584 4.556 -0.016 0.000 0.299 516 H C -0.877 174.530 175.328 0.130 0.000 0.961 516 H CA 0.253 56.368 56.048 0.112 0.000 1.428 516 H CB 0.473 30.382 29.762 0.245 0.000 1.459 516 H HN 0.005 nan 8.280 nan 0.000 0.566 517 L N 5.560 126.879 121.223 0.161 0.000 2.341 517 L HA 0.297 4.628 4.340 -0.015 0.000 0.278 517 L C -1.034 175.864 176.870 0.046 0.000 1.005 517 L CA -0.614 54.254 54.840 0.046 0.000 0.818 517 L CB 1.633 43.704 42.059 0.020 0.000 1.259 517 L HN 0.722 nan 8.230 nan 0.000 0.418 518 Q N 4.649 124.478 119.800 0.049 0.000 2.320 518 Q HA 0.328 4.659 4.340 -0.015 0.000 0.268 518 Q C -2.062 174.008 176.000 0.116 0.000 1.023 518 Q CA -0.624 55.204 55.803 0.043 0.000 0.744 518 Q CB 1.543 30.210 28.738 -0.119 0.000 1.246 518 Q HN 0.648 nan 8.270 nan 0.000 0.462 519 F N 4.766 124.710 119.950 -0.011 0.000 2.444 519 F HA 0.619 5.137 4.527 -0.015 0.000 0.342 519 F C -1.541 174.309 175.800 0.083 0.000 1.121 519 F CA -0.769 57.215 58.000 -0.025 0.000 0.997 519 F CB 1.570 40.521 39.000 -0.082 0.000 1.130 519 F HN 0.324 nan 8.300 nan 0.000 0.454 520 V N 8.147 127.748 119.914 -0.522 0.000 2.588 520 V HA 0.591 4.702 4.120 -0.015 0.000 0.304 520 V C -2.065 173.818 176.094 -0.352 0.000 1.042 520 V CA -0.631 61.511 62.300 -0.264 0.000 0.877 520 V CB 1.474 33.346 31.823 0.081 0.000 0.996 520 V HN 0.714 nan 8.190 nan 0.000 0.425 521 F N 6.235 125.990 119.950 -0.324 0.000 2.469 521 F HA 0.746 5.264 4.527 -0.015 0.000 0.332 521 F C -0.308 175.326 175.800 -0.277 0.000 1.103 521 F CA -0.520 57.350 58.000 -0.217 0.000 0.979 521 F CB 1.635 40.629 39.000 -0.011 0.000 1.137 521 F HN 0.645 nan 8.300 nan 0.000 0.463 522 K N 3.865 123.506 120.400 -1.265 0.000 2.397 522 K HA 0.595 4.906 4.320 -0.015 0.000 0.253 522 K C -1.613 174.298 176.600 -1.149 0.000 0.932 522 K CA -0.549 54.951 56.287 -1.311 0.000 0.795 522 K CB 1.711 32.968 32.500 -2.073 0.000 1.159 522 K HN 0.585 nan 8.250 nan 0.000 0.424 523 S N 2.444 117.771 115.700 -0.621 0.000 2.511 523 S HA 0.217 4.677 4.470 -0.015 0.000 0.233 523 S C -1.757 172.779 174.600 -0.106 0.000 1.104 523 S CA -0.522 57.479 58.200 -0.331 0.000 1.129 523 S CB 1.039 64.150 63.200 -0.147 0.000 1.159 523 S HN 0.549 nan 8.310 nan 0.000 0.451 524 S N 4.170 119.818 115.700 -0.086 0.000 2.451 524 S HA 0.600 5.061 4.470 -0.015 0.000 0.301 524 S C -2.065 172.596 174.600 0.101 0.000 1.116 524 S CA -1.802 56.450 58.200 0.087 0.000 1.093 524 S CB 1.174 64.474 63.200 0.166 0.000 1.017 524 S HN 0.434 nan 8.310 nan 0.000 0.482 525 P HA -0.015 nan 4.420 nan 0.000 0.228 525 P C -0.004 177.235 177.300 -0.100 0.000 1.151 525 P CA 0.975 64.064 63.100 -0.018 0.000 0.770 525 P CB -0.082 31.568 31.700 -0.083 0.000 0.786 526 Y N -1.207 119.120 120.300 0.046 0.000 2.511 526 Y HA 0.189 4.729 4.550 -0.016 0.000 0.279 526 Y C 2.061 177.988 175.900 0.046 0.000 1.157 526 Y CA 0.559 58.701 58.100 0.069 0.000 1.300 526 Y CB -0.672 37.875 38.460 0.145 0.000 1.052 526 Y HN -0.006 nan 8.280 nan 0.000 0.529 527 G N 0.776 109.649 108.800 0.122 0.000 2.614 527 G HA2 -0.390 3.561 3.960 -0.015 0.000 0.303 527 G HA3 -0.390 3.561 3.960 -0.015 0.000 0.303 527 G C 0.881 175.818 174.900 0.061 0.000 1.270 527 G CA 0.644 45.776 45.100 0.054 0.000 0.988 527 G HN 0.578 nan 8.290 nan 0.000 0.551 528 S N -0.452 115.281 115.700 0.054 0.000 2.573 528 S HA 0.524 4.985 4.470 -0.015 0.000 0.244 528 S C 0.554 175.200 174.600 0.077 0.000 0.984 528 S CA 0.485 58.712 58.200 0.045 0.000 1.001 528 S CB 0.548 63.746 63.200 -0.004 0.000 0.788 528 S HN 1.154 nan 8.310 nan 0.000 0.456 529 L N 2.631 123.926 121.223 0.119 0.000 2.513 529 L HA 0.325 4.656 4.340 -0.015 0.000 0.272 529 L C 0.935 177.871 176.870 0.110 0.000 1.187 529 L CA 1.390 56.317 54.840 0.145 0.000 0.895 529 L CB -0.091 42.103 42.059 0.226 0.000 1.147 529 L HN 0.585 nan 8.230 nan 0.000 0.483 530 S N 2.925 118.658 115.700 0.055 0.000 4.151 530 S HA -0.326 4.134 4.470 -0.015 0.000 0.617 530 S C 1.245 175.715 174.600 -0.216 0.000 1.878 530 S CA 0.970 59.105 58.200 -0.109 0.000 4.245 530 S CB -1.181 61.948 63.200 -0.119 0.000 0.205 530 S HN 0.856 nan 8.310 nan 0.000 0.468 531 H N 1.438 120.423 119.070 -0.141 0.000 2.539 531 H HA 0.466 5.013 4.556 -0.016 0.000 0.269 531 H C 0.816 176.065 175.328 -0.132 0.000 0.980 531 H CA 0.732 56.707 56.048 -0.122 0.000 1.152 531 H CB -0.154 29.342 29.762 -0.444 0.000 1.407 531 H HN 0.258 nan 8.280 nan 0.000 0.564 532 S N -0.133 115.545 115.700 -0.037 0.000 2.632 532 S HA 0.265 4.725 4.470 -0.015 0.000 0.267 532 S C 0.228 174.828 174.600 -0.000 0.000 1.276 532 S CA -0.409 57.742 58.200 -0.081 0.000 0.998 532 S CB 1.199 64.409 63.200 0.018 0.000 0.953 532 S HN 0.447 nan 8.310 nan 0.000 0.547 533 H N -1.038 118.028 119.070 -0.007 0.000 2.771 533 H HA 0.500 5.046 4.556 -0.016 0.000 0.344 533 H C 0.750 175.990 175.328 -0.147 0.000 1.260 533 H CA -1.203 54.795 56.048 -0.083 0.000 1.276 533 H CB 0.760 30.468 29.762 -0.091 0.000 1.881 533 H HN 0.722 nan 8.280 nan 0.000 0.615 534 G N 0.961 109.724 108.800 -0.062 0.000 3.213 534 G HA2 0.035 3.986 3.960 -0.015 0.000 0.263 534 G HA3 0.035 3.986 3.960 -0.015 0.000 0.263 534 G C -0.521 174.245 174.900 -0.222 0.000 0.829 534 G CA -0.256 44.735 45.100 -0.181 0.000 1.983 534 G HN 0.654 nan 8.290 nan 0.000 0.616 535 D N -0.367 119.900 120.400 -0.220 0.000 2.720 535 D HA 0.080 4.711 4.640 -0.015 0.000 0.285 535 D C 0.301 176.339 176.300 -0.438 0.000 1.359 535 D CA -0.478 53.346 54.000 -0.293 0.000 0.818 535 D CB 0.167 40.833 40.800 -0.224 0.000 1.108 535 D HN 0.080 nan 8.370 nan 0.000 0.474 536 Q N 0.791 120.386 119.800 -0.341 0.000 2.373 536 Q HA 0.250 4.581 4.340 -0.015 0.000 0.255 536 Q C 0.497 176.342 176.000 -0.259 0.000 0.980 536 Q CA -0.002 55.602 55.803 -0.332 0.000 0.882 536 Q CB 0.236 28.859 28.738 -0.191 0.000 1.249 536 Q HN 0.081 nan 8.270 nan 0.000 0.438 537 N N -1.298 117.178 118.700 -0.372 0.000 2.708 537 N HA -0.202 4.529 4.740 -0.015 0.000 0.249 537 N C -1.068 174.353 175.510 -0.148 0.000 1.097 537 N CA 1.149 54.071 53.050 -0.214 0.000 0.710 537 N CB -1.124 37.477 38.487 0.190 0.000 1.032 537 N HN 0.669 nan 8.380 nan 0.000 0.551 538 A N -0.287 122.271 122.820 -0.438 0.000 2.294 538 A HA 0.811 5.122 4.320 -0.015 0.000 0.330 538 A C 0.044 177.583 177.584 -0.076 0.000 1.133 538 A CA -0.628 51.270 52.037 -0.233 0.000 0.836 538 A CB 0.851 19.701 19.000 -0.249 0.000 1.190 538 A HN 0.318 nan 8.150 nan 0.000 0.492 539 F N -0.298 119.686 119.950 0.057 0.000 2.620 539 F HA 0.811 5.329 4.527 -0.015 0.000 0.320 539 F C -0.586 175.158 175.800 -0.094 0.000 1.069 539 F CA -1.234 56.779 58.000 0.022 0.000 0.953 539 F CB 1.410 40.426 39.000 0.027 0.000 1.322 539 F HN 0.598 nan 8.300 nan 0.000 0.479 540 V N 0.764 120.591 119.914 -0.145 0.000 3.007 540 V HA 0.871 4.981 4.120 -0.015 0.000 0.311 540 V C -1.846 174.194 176.094 -0.090 0.000 1.120 540 V CA -0.964 61.171 62.300 -0.274 0.000 0.980 540 V CB 1.591 33.076 31.823 -0.564 0.000 1.033 540 V HN 1.110 nan 8.190 nan 0.000 0.429 541 L N 3.561 124.765 121.223 -0.032 0.000 2.491 541 L HA 0.615 4.946 4.340 -0.015 0.000 0.267 541 L C -1.488 175.383 176.870 0.002 0.000 0.971 541 L CA -0.442 54.405 54.840 0.011 0.000 0.857 541 L CB 1.689 43.726 42.059 -0.037 0.000 1.226 541 L HN 0.879 nan 8.230 nan 0.000 0.408 542 Y N 4.868 125.104 120.300 -0.107 0.000 2.331 542 Y HA 0.835 5.375 4.550 -0.015 0.000 0.338 542 Y C -0.485 175.356 175.900 -0.098 0.000 0.992 542 Y CA -0.050 57.981 58.100 -0.114 0.000 1.121 542 Y CB 1.415 39.772 38.460 -0.172 0.000 1.184 542 Y HN 0.859 nan 8.280 nan 0.000 0.469 543 A N 4.328 126.974 122.820 -0.290 0.000 2.549 543 A HA 0.473 4.784 4.320 -0.015 0.000 0.297 543 A C -0.863 176.626 177.584 -0.159 0.000 1.061 543 A CA -0.698 51.240 52.037 -0.165 0.000 0.690 543 A CB 0.649 19.672 19.000 0.038 0.000 1.287 543 A HN 1.008 nan 8.150 nan 0.000 0.402 544 H N 0.406 119.419 119.070 -0.096 0.000 2.655 544 H HA -0.237 4.310 4.556 -0.016 0.000 0.313 544 H C 1.370 176.619 175.328 -0.132 0.000 1.141 544 H CA 1.720 57.736 56.048 -0.052 0.000 1.138 544 H CB -1.328 28.426 29.762 -0.013 0.000 1.446 544 H HN 2.381 nan 8.280 nan 0.000 0.415 545 G N 0.251 108.945 108.800 -0.177 0.000 2.153 545 G HA2 -0.306 3.645 3.960 -0.015 0.000 0.252 545 G HA3 -0.306 3.645 3.960 -0.015 0.000 0.252 545 G C -0.013 174.606 174.900 -0.468 0.000 0.994 545 G CA 0.889 45.885 45.100 -0.172 0.000 0.698 545 G HN 0.715 nan 8.290 nan 0.000 0.521 546 E N -0.103 119.561 120.200 -0.893 0.000 2.331 546 E HA 0.309 4.650 4.350 -0.015 0.000 0.275 546 E C -1.144 175.115 176.600 -0.567 0.000 0.895 546 E CA -0.916 55.163 56.400 -0.536 0.000 0.753 546 E CB 1.076 30.687 29.700 -0.148 0.000 1.216 546 E HN 0.129 nan 8.360 nan 0.000 0.434 547 D N 4.412 124.772 120.400 -0.067 0.000 2.382 547 D HA 0.069 4.700 4.640 -0.015 0.000 0.259 547 D C 0.638 176.977 176.300 0.064 0.000 1.224 547 D CA 0.575 54.637 54.000 0.103 0.000 0.894 547 D CB 1.076 41.962 40.800 0.144 0.000 1.127 547 D HN 0.403 nan 8.370 nan 0.000 0.487 548 L N 1.450 122.686 121.223 0.022 0.000 2.670 548 L HA 0.192 4.523 4.340 -0.015 0.000 0.177 548 L C 1.071 177.939 176.870 -0.003 0.000 1.181 548 L CA 0.094 54.991 54.840 0.094 0.000 0.856 548 L CB -0.103 41.938 42.059 -0.030 0.000 1.205 548 L HN 0.247 nan 8.230 nan 0.000 0.506 549 A N 1.942 124.648 122.820 -0.190 0.000 2.366 549 A HA 0.530 4.840 4.320 -0.015 0.000 0.322 549 A C -0.175 177.321 177.584 -0.146 0.000 1.397 549 A CA -0.423 51.540 52.037 -0.122 0.000 0.984 549 A CB -0.651 18.306 19.000 -0.071 0.000 1.149 549 A HN 0.353 nan 8.150 nan 0.000 0.540 550 I N -0.587 119.902 120.570 -0.135 0.000 2.664 550 I HA 0.610 4.770 4.170 -0.015 0.000 0.308 550 I C 0.119 176.073 176.117 -0.272 0.000 0.984 550 I CA -1.069 60.116 61.300 -0.192 0.000 1.213 550 I CB 1.154 39.036 38.000 -0.196 0.000 1.379 550 I HN 0.468 nan 8.210 nan 0.000 0.501 551 Q N 3.687 123.298 119.800 -0.314 0.000 2.281 551 Q HA 0.240 4.571 4.340 -0.015 0.000 0.267 551 Q C -0.339 175.524 176.000 -0.228 0.000 1.053 551 Q CA 0.012 55.625 55.803 -0.318 0.000 0.905 551 Q CB 0.641 29.189 28.738 -0.316 0.000 1.195 551 Q HN 0.861 nan 8.270 nan 0.000 0.398 552 S N 2.722 118.310 115.700 -0.188 0.000 2.713 552 S HA 0.929 5.390 4.470 -0.015 0.000 0.283 552 S C 0.419 175.155 174.600 0.228 0.000 1.161 552 S CA -0.125 58.099 58.200 0.041 0.000 0.999 552 S CB 1.268 64.594 63.200 0.210 0.000 1.039 552 S HN 1.341 nan 8.310 nan 0.000 0.548 553 G N 0.031 109.094 108.800 0.438 0.000 2.681 553 G HA2 -0.058 3.893 3.960 -0.015 0.000 0.220 553 G HA3 -0.058 3.893 3.960 -0.015 0.000 0.220 553 G C -1.319 173.363 174.900 -0.363 0.000 1.353 553 G CA -0.180 44.850 45.100 -0.118 0.000 0.872 553 G HN 0.978 nan 8.290 nan 0.000 0.557 554 Y N -2.260 117.964 120.300 -0.126 0.000 2.605 554 Y HA 0.572 5.113 4.550 -0.015 0.000 0.343 554 Y C 0.981 176.898 175.900 0.029 0.000 1.036 554 Y CA -0.182 57.912 58.100 -0.009 0.000 1.065 554 Y CB 1.357 39.784 38.460 -0.054 0.000 1.288 554 Y HN 0.700 nan 8.280 nan 0.000 0.481 555 Y N 1.011 121.398 120.300 0.145 0.000 2.089 555 Y HA -0.213 4.328 4.550 -0.016 0.000 0.282 555 Y C 1.781 177.723 175.900 0.071 0.000 1.139 555 Y CA 2.478 60.621 58.100 0.071 0.000 1.123 555 Y CB -0.315 38.157 38.460 0.021 0.000 0.980 555 Y HN 0.537 nan 8.280 nan 0.000 0.493 556 V N -1.668 118.270 119.914 0.039 0.000 0.620 556 V HA -0.413 3.698 4.120 -0.015 0.000 0.092 556 V C 0.268 176.258 176.094 -0.174 0.000 1.598 556 V CA 2.073 64.341 62.300 -0.054 0.000 3.316 556 V CB -2.189 29.594 31.823 -0.067 0.000 0.589 556 V HN 1.174 nan 8.190 nan 0.000 0.601 557 A N -1.954 120.574 122.820 -0.487 0.000 2.571 557 A HA 0.633 4.944 4.320 -0.015 0.000 0.296 557 A C -1.136 176.208 177.584 -0.400 0.000 1.005 557 A CA 0.031 51.820 52.037 -0.413 0.000 0.682 557 A CB 0.457 19.411 19.000 -0.075 0.000 1.292 557 A HN 1.413 nan 8.150 nan 0.000 0.420 558 F N 2.006 121.739 119.950 -0.361 0.000 2.572 558 F HA 0.267 4.785 4.527 -0.016 0.000 0.370 558 F C 1.363 177.161 175.800 -0.003 0.000 1.103 558 F CA 2.273 60.134 58.000 -0.233 0.000 1.286 558 F CB -0.047 38.927 39.000 -0.043 0.000 1.105 558 F HN 0.868 nan 8.300 nan 0.000 0.583 559 N N 0.581 119.213 118.700 -0.113 0.000 2.900 559 N HA -0.246 4.485 4.740 -0.015 0.000 0.240 559 N C -0.182 175.305 175.510 -0.040 0.000 0.953 559 N CA 0.507 53.526 53.050 -0.051 0.000 0.950 559 N CB -0.887 37.633 38.487 0.056 0.000 1.102 559 N HN 0.620 nan 8.380 nan 0.000 0.593 560 S N -0.198 115.480 115.700 -0.036 0.000 2.596 560 S HA 0.082 4.543 4.470 -0.015 0.000 0.260 560 S C 1.106 175.670 174.600 -0.060 0.000 1.336 560 S CA -0.329 57.842 58.200 -0.049 0.000 0.993 560 S CB 1.237 64.398 63.200 -0.065 0.000 0.923 560 S HN 0.200 nan 8.310 nan 0.000 0.567 561 Q N -0.498 119.274 119.800 -0.047 0.000 2.119 561 Q HA -0.127 4.204 4.340 -0.015 0.000 0.201 561 Q C 2.012 177.993 176.000 -0.031 0.000 0.972 561 Q CA 1.452 57.229 55.803 -0.043 0.000 0.847 561 Q CB -0.320 28.409 28.738 -0.014 0.000 0.903 561 Q HN 0.827 nan 8.270 nan 0.000 0.433 562 M N 0.049 119.633 119.600 -0.026 0.000 2.082 562 M HA -0.242 4.229 4.480 -0.015 0.000 0.258 562 M C 1.909 178.208 176.300 -0.002 0.000 1.069 562 M CA 1.846 57.125 55.300 -0.036 0.000 1.102 562 M CB -0.547 31.999 32.600 -0.090 0.000 1.336 562 M HN 0.289 nan 8.290 nan 0.000 0.404 563 H N -0.504 118.469 119.070 -0.162 0.000 2.276 563 H HA -0.102 4.445 4.556 -0.016 0.000 0.301 563 H C 1.876 177.062 175.328 -0.237 0.000 1.073 563 H CA 2.094 58.009 56.048 -0.222 0.000 1.311 563 H CB -0.114 29.463 29.762 -0.308 0.000 1.379 563 H HN 0.444 nan 8.280 nan 0.000 0.494 564 L N 0.035 120.990 121.223 -0.448 0.000 2.131 564 L HA -0.087 4.243 4.340 -0.015 0.000 0.206 564 L C 1.445 178.125 176.870 -0.316 0.000 1.087 564 L CA 1.353 55.883 54.840 -0.517 0.000 0.767 564 L CB -0.177 41.656 42.059 -0.378 0.000 0.917 564 L HN 0.370 nan 8.230 nan 0.000 0.441 565 N N -2.513 116.085 118.700 -0.171 0.000 2.220 565 N HA -0.054 4.677 4.740 -0.015 0.000 0.195 565 N C 1.186 176.716 175.510 0.032 0.000 1.123 565 N CA -0.135 52.868 53.050 -0.078 0.000 0.874 565 N CB 0.509 38.983 38.487 -0.022 0.000 0.995 565 N HN 0.371 nan 8.380 nan 0.000 0.498 566 W N 1.527 122.700 121.300 -0.211 0.000 3.797 566 W HA 0.215 4.866 4.660 -0.016 0.000 0.217 566 W C 1.421 177.771 176.519 -0.282 0.000 0.934 566 W CA 0.077 57.300 57.345 -0.204 0.000 2.464 566 W CB -0.036 29.306 29.460 -0.196 0.000 1.165 566 W HN -0.215 nan 8.180 nan 0.000 0.677 567 R N 0.694 121.036 120.500 -0.264 0.000 2.091 567 R HA -0.112 4.218 4.340 -0.015 0.000 0.238 567 R C 2.208 177.992 176.300 -0.861 0.000 1.136 567 R CA 1.458 57.251 56.100 -0.512 0.000 0.959 567 R CB -0.418 29.724 30.300 -0.264 0.000 0.856 567 R HN 0.151 nan 8.270 nan 0.000 0.437 568 R N 0.283 120.371 120.500 -0.686 0.000 2.189 568 R HA -0.030 4.300 4.340 -0.015 0.000 0.223 568 R C 0.457 176.499 176.300 -0.430 0.000 1.092 568 R CA 0.717 56.464 56.100 -0.588 0.000 0.989 568 R CB 0.137 30.160 30.300 -0.463 0.000 0.876 568 R HN 0.206 nan 8.270 nan 0.000 0.457 569 Q N -0.475 119.054 119.800 -0.451 0.000 2.227 569 Q HA 0.111 4.441 4.340 -0.015 0.000 0.245 569 Q C 0.995 176.740 176.000 -0.425 0.000 0.926 569 Q CA 0.088 55.659 55.803 -0.386 0.000 0.895 569 Q CB 1.325 29.862 28.738 -0.334 0.000 1.230 569 Q HN -0.027 nan 8.270 nan 0.000 0.450 570 T N 1.099 115.452 114.554 -0.334 0.000 2.881 570 T HA -0.157 4.184 4.350 -0.015 0.000 0.270 570 T C 1.511 176.002 174.700 -0.348 0.000 1.068 570 T CA 1.482 63.400 62.100 -0.304 0.000 1.131 570 T CB -0.046 68.692 68.868 -0.217 0.000 0.871 570 T HN 0.599 nan 8.240 nan 0.000 0.479 571 R N 1.971 122.248 120.500 -0.373 0.000 2.241 571 R HA -0.019 4.312 4.340 -0.015 0.000 0.224 571 R C 2.088 177.940 176.300 -0.746 0.000 1.101 571 R CA 1.564 57.424 56.100 -0.401 0.000 0.995 571 R CB -0.659 29.486 30.300 -0.259 0.000 0.870 571 R HN 0.472 nan 8.270 nan 0.000 0.463 572 S N -0.664 114.346 115.700 -1.149 0.000 2.575 572 S HA 0.181 4.642 4.470 -0.015 0.000 0.215 572 S C 0.124 173.948 174.600 -1.293 0.000 0.966 572 S CA -0.493 56.695 58.200 -1.687 0.000 0.911 572 S CB 0.218 62.181 63.200 -2.062 0.000 0.780 572 S HN 0.071 nan 8.310 nan 0.000 0.514 573 K N 2.135 122.090 120.400 -0.741 0.000 2.185 573 K HA 0.367 4.678 4.320 -0.015 0.000 0.240 573 K C -0.997 175.409 176.600 -0.323 0.000 0.983 573 K CA -0.616 55.370 56.287 -0.500 0.000 0.873 573 K CB 0.511 32.813 32.500 -0.331 0.000 1.118 573 K HN 0.224 nan 8.250 nan 0.000 0.441 574 N N 0.617 119.068 118.700 -0.415 0.000 2.807 574 N HA 0.358 5.089 4.740 -0.015 0.000 0.259 574 N C -0.718 174.446 175.510 -0.576 0.000 1.149 574 N CA -0.258 52.409 53.050 -0.637 0.000 1.042 574 N CB 0.582 38.321 38.487 -1.247 0.000 1.367 574 N HN 0.527 nan 8.380 nan 0.000 0.516 575 A N 0.434 123.013 122.820 -0.401 0.000 2.557 575 A HA 0.659 4.969 4.320 -0.015 0.000 0.292 575 A C -0.736 176.745 177.584 -0.172 0.000 1.139 575 A CA -0.758 51.156 52.037 -0.205 0.000 0.665 575 A CB 0.571 19.498 19.000 -0.121 0.000 1.285 575 A HN 0.210 nan 8.150 nan 0.000 0.433 576 V N -1.190 118.720 119.914 -0.006 0.000 2.716 576 V HA 0.839 4.949 4.120 -0.015 0.000 0.304 576 V C -0.461 175.682 176.094 0.082 0.000 1.053 576 V CA -0.691 61.616 62.300 0.012 0.000 0.984 576 V CB 0.974 32.794 31.823 -0.004 0.000 1.021 576 V HN 0.739 nan 8.190 nan 0.000 0.467 577 L N 4.010 125.259 121.223 0.043 0.000 2.346 577 L HA 0.649 4.980 4.340 -0.015 0.000 0.274 577 L C -0.700 176.175 176.870 0.008 0.000 1.007 577 L CA -0.544 54.348 54.840 0.085 0.000 0.818 577 L CB 1.971 44.062 42.059 0.054 0.000 1.284 577 L HN 0.576 nan 8.230 nan 0.000 0.424 578 I N 1.592 122.176 120.570 0.024 0.000 2.418 578 I HA 0.390 4.551 4.170 -0.015 0.000 0.287 578 I C 0.871 177.014 176.117 0.044 0.000 1.008 578 I CA -0.357 60.934 61.300 -0.016 0.000 1.104 578 I CB 1.808 39.751 38.000 -0.094 0.000 1.264 578 I HN 0.849 nan 8.210 nan 0.000 0.438 579 G N 4.203 113.028 108.800 0.042 0.000 2.249 579 G HA2 -0.139 3.812 3.960 -0.015 0.000 0.273 579 G HA3 -0.139 3.812 3.960 -0.015 0.000 0.273 579 G C 1.024 175.953 174.900 0.048 0.000 1.036 579 G CA 0.615 45.745 45.100 0.051 0.000 0.824 579 G HN 1.561 nan 8.290 nan 0.000 0.504 580 G N -1.680 107.146 108.800 0.044 0.000 2.205 580 G HA2 -0.280 3.671 3.960 -0.015 0.000 0.261 580 G HA3 -0.280 3.671 3.960 -0.015 0.000 0.261 580 G C 0.354 175.283 174.900 0.049 0.000 0.980 580 G CA 1.267 46.393 45.100 0.043 0.000 0.632 580 G HN 1.087 nan 8.290 nan 0.000 0.533 581 K N 0.442 120.882 120.400 0.068 0.000 2.164 581 K HA 0.609 4.920 4.320 -0.015 0.000 0.258 581 K C 0.860 177.536 176.600 0.126 0.000 0.951 581 K CA -0.194 56.139 56.287 0.077 0.000 0.844 581 K CB 1.865 34.417 32.500 0.086 0.000 1.099 581 K HN 0.246 nan 8.250 nan 0.000 0.435 582 G N 1.014 109.847 108.800 0.056 0.000 2.606 582 G HA2 0.190 4.141 3.960 -0.015 0.000 0.262 582 G HA3 0.190 4.141 3.960 -0.015 0.000 0.262 582 G C -0.760 174.055 174.900 -0.142 0.000 1.394 582 G CA -0.546 44.557 45.100 0.004 0.000 1.044 582 G HN 0.534 nan 8.290 nan 0.000 0.553 583 Q N -1.072 118.488 119.800 -0.400 0.000 2.354 583 Q HA 0.209 4.539 4.340 -0.015 0.000 0.244 583 Q C -1.014 174.870 176.000 -0.193 0.000 0.969 583 Q CA -0.422 55.120 55.803 -0.436 0.000 0.885 583 Q CB 1.508 29.902 28.738 -0.574 0.000 1.241 583 Q HN 0.519 nan 8.270 nan 0.000 0.461 584 Y N 0.817 121.005 120.300 -0.187 0.000 2.650 584 Y HA 0.164 4.704 4.550 -0.016 0.000 0.331 584 Y C -0.130 175.694 175.900 -0.127 0.000 1.165 584 Y CA 0.296 58.322 58.100 -0.125 0.000 1.473 584 Y CB 0.275 38.682 38.460 -0.087 0.000 1.224 584 Y HN 0.629 nan 8.280 nan 0.000 0.533 585 A N 5.910 128.252 122.820 -0.798 0.000 2.897 585 A HA 0.314 4.624 4.320 -0.015 0.000 0.230 585 A C -0.173 177.011 177.584 -0.666 0.000 0.896 585 A CA -0.633 51.059 52.037 -0.575 0.000 1.114 585 A CB -0.090 18.699 19.000 -0.351 0.000 1.230 585 A HN 0.661 nan 8.150 nan 0.000 0.481 586 E N 0.137 119.674 120.200 -1.106 0.000 3.362 586 E HA 0.360 4.701 4.350 -0.015 0.000 0.253 586 E C 0.218 176.675 176.600 -0.238 0.000 0.962 586 E CA -0.532 55.523 56.400 -0.576 0.000 1.399 586 E CB 0.291 29.729 29.700 -0.437 0.000 1.668 586 E HN 0.060 nan 8.360 nan 0.000 0.563 587 K N 0.805 121.179 120.400 -0.044 0.000 2.361 587 K HA 0.038 4.349 4.320 -0.015 0.000 0.196 587 K C 0.124 176.788 176.600 0.106 0.000 1.039 587 K CA 0.094 56.396 56.287 0.024 0.000 1.001 587 K CB 0.017 32.521 32.500 0.007 0.000 0.795 587 K HN 0.364 nan 8.250 nan 0.000 0.495 588 D N 1.920 122.445 120.400 0.209 0.000 2.382 588 D HA -0.010 4.621 4.640 -0.015 0.000 0.259 588 D C 0.532 176.910 176.300 0.130 0.000 1.224 588 D CA 0.339 54.425 54.000 0.143 0.000 0.894 588 D CB 0.874 41.729 40.800 0.092 0.000 1.127 588 D HN -0.038 nan 8.370 nan 0.000 0.487 589 K N 2.714 123.153 120.400 0.064 0.000 2.103 589 K HA -0.066 4.245 4.320 -0.015 0.000 0.204 589 K C 1.882 178.481 176.600 -0.000 0.000 1.052 589 K CA 1.016 57.328 56.287 0.041 0.000 0.945 589 K CB 0.113 32.623 32.500 0.017 0.000 0.722 589 K HN 0.428 nan 8.250 nan 0.000 0.443 590 A N 1.355 124.160 122.820 -0.026 0.000 1.898 590 A HA -0.109 4.202 4.320 -0.015 0.000 0.216 590 A C 2.082 179.614 177.584 -0.088 0.000 1.181 590 A CA 1.205 53.206 52.037 -0.060 0.000 0.620 590 A CB -0.560 18.405 19.000 -0.058 0.000 0.819 590 A HN 0.141 nan 8.150 nan 0.000 0.442 591 L N -0.985 120.155 121.223 -0.139 0.000 2.109 591 L HA -0.125 4.205 4.340 -0.015 0.000 0.207 591 L C 3.111 179.907 176.870 -0.124 0.000 1.086 591 L CA 0.822 55.477 54.840 -0.308 0.000 0.760 591 L CB -0.629 40.949 42.059 -0.802 0.000 0.910 591 L HN 0.448 nan 8.230 nan 0.000 0.437 592 A N 0.459 123.353 122.820 0.124 0.000 1.873 592 A HA -0.289 4.021 4.320 -0.015 0.000 0.218 592 A C 2.425 180.063 177.584 0.090 0.000 1.193 592 A CA 2.126 54.297 52.037 0.223 0.000 0.629 592 A CB -0.640 18.467 19.000 0.178 0.000 0.826 592 A HN 0.337 nan 8.150 nan 0.000 0.447 593 R N -0.805 119.711 120.500 0.026 0.000 2.115 593 R HA -0.085 4.245 4.340 -0.015 0.000 0.230 593 R C 2.431 178.711 176.300 -0.035 0.000 1.111 593 R CA 1.394 57.487 56.100 -0.013 0.000 0.976 593 R CB -0.240 30.015 30.300 -0.074 0.000 0.870 593 R HN 0.555 nan 8.270 nan 0.000 0.445 594 R N 0.170 120.640 120.500 -0.049 0.000 2.115 594 R HA -0.014 4.317 4.340 -0.015 0.000 0.230 594 R C 0.340 176.618 176.300 -0.036 0.000 1.111 594 R CA 1.155 57.221 56.100 -0.057 0.000 0.976 594 R CB -0.105 30.143 30.300 -0.087 0.000 0.870 594 R HN 0.174 nan 8.270 nan 0.000 0.445 595 A N 1.013 123.824 122.820 -0.015 0.000 3.051 595 A HA 0.446 4.756 4.320 -0.015 0.000 0.257 595 A C -0.174 177.399 177.584 -0.019 0.000 1.785 595 A CA 0.214 52.250 52.037 -0.003 0.000 1.420 595 A CB -0.441 18.596 19.000 0.062 0.000 1.063 595 A HN 0.425 nan 8.150 nan 0.000 0.630 596 A N 0.165 122.975 122.820 -0.016 0.000 2.288 596 A HA 0.918 5.229 4.320 -0.015 0.000 0.328 596 A C 0.497 178.077 177.584 -0.006 0.000 1.123 596 A CA -0.047 51.982 52.037 -0.013 0.000 0.861 596 A CB 1.112 20.102 19.000 -0.017 0.000 1.272 596 A HN 1.162 nan 8.150 nan 0.000 0.490 597 G N -0.863 107.934 108.800 -0.005 0.000 3.042 597 G HA2 0.751 4.701 3.960 -0.015 0.000 0.278 597 G HA3 0.751 4.701 3.960 -0.015 0.000 0.278 597 G C -0.806 174.114 174.900 0.033 0.000 1.371 597 G CA -0.631 44.476 45.100 0.011 0.000 1.009 597 G HN 1.230 nan 8.290 nan 0.000 0.523 598 R N -1.330 119.206 120.500 0.060 0.000 2.664 598 R HA 0.407 4.738 4.340 -0.015 0.000 0.266 598 R C -1.520 174.856 176.300 0.126 0.000 1.046 598 R CA -0.927 55.223 56.100 0.083 0.000 0.885 598 R CB 1.072 31.413 30.300 0.069 0.000 1.254 598 R HN 0.326 nan 8.270 nan 0.000 0.465 599 I N 4.002 124.660 120.570 0.147 0.000 2.421 599 I HA 0.023 4.184 4.170 -0.015 0.000 0.291 599 I C 1.575 177.769 176.117 0.127 0.000 1.089 599 I CA -0.116 61.294 61.300 0.184 0.000 1.354 599 I CB 1.151 39.267 38.000 0.194 0.000 1.413 599 I HN 0.608 nan 8.210 nan 0.000 0.513 600 V N 5.373 125.358 119.914 0.120 0.000 2.307 600 V HA -0.112 3.999 4.120 -0.015 0.000 0.245 600 V C 1.007 177.138 176.094 0.062 0.000 1.045 600 V CA 1.556 63.906 62.300 0.084 0.000 1.024 600 V CB -0.359 31.513 31.823 0.081 0.000 0.651 600 V HN 0.929 nan 8.190 nan 0.000 0.449 601 S N -2.022 113.709 115.700 0.052 0.000 2.547 601 S HA 0.693 5.154 4.470 -0.015 0.000 0.270 601 S C -1.329 173.274 174.600 0.006 0.000 1.150 601 S CA -0.699 57.517 58.200 0.026 0.000 0.850 601 S CB 2.287 65.496 63.200 0.015 0.000 1.118 601 S HN -0.037 nan 8.310 nan 0.000 0.461 602 V N 1.558 121.469 119.914 -0.004 0.000 2.525 602 V HA 0.565 4.675 4.120 -0.015 0.000 0.299 602 V C -0.818 175.250 176.094 -0.045 0.000 1.034 602 V CA -0.456 61.828 62.300 -0.026 0.000 0.863 602 V CB 1.466 33.287 31.823 -0.003 0.000 0.999 602 V HN 0.981 nan 8.190 nan 0.000 0.423 603 E N 3.122 123.272 120.200 -0.083 0.000 2.222 603 E HA 0.630 4.971 4.350 -0.015 0.000 0.267 603 E C -0.912 175.611 176.600 -0.128 0.000 0.884 603 E CA -0.641 55.702 56.400 -0.094 0.000 0.764 603 E CB 2.976 32.614 29.700 -0.104 0.000 1.169 603 E HN 0.733 nan 8.360 nan 0.000 0.413 604 E N 3.263 123.411 120.200 -0.088 0.000 2.246 604 E HA 0.184 4.524 4.350 -0.015 0.000 0.266 604 E C -1.476 175.094 176.600 -0.050 0.000 0.880 604 E CA -0.449 55.906 56.400 -0.075 0.000 0.762 604 E CB 1.202 30.878 29.700 -0.039 0.000 1.180 604 E HN 0.548 nan 8.360 nan 0.000 0.416 605 Q N 2.423 122.197 119.800 -0.044 0.000 2.501 605 Q HA 0.601 4.932 4.340 -0.015 0.000 0.288 605 Q C -2.746 173.252 176.000 -0.003 0.000 1.051 605 Q CA -2.582 53.217 55.803 -0.006 0.000 0.788 605 Q CB 1.765 30.516 28.738 0.022 0.000 1.469 605 Q HN 0.222 nan 8.270 nan 0.000 0.416 606 P HA 0.061 nan 4.420 nan 0.000 0.261 606 P C 0.463 177.742 177.300 -0.035 0.000 1.183 606 P CA 1.842 64.930 63.100 -0.020 0.000 0.761 606 P CB 0.286 31.980 31.700 -0.011 0.000 0.785 607 G N 1.625 110.363 108.800 -0.103 0.000 2.168 607 G HA2 -0.252 3.699 3.960 -0.015 0.000 0.263 607 G HA3 -0.252 3.699 3.960 -0.015 0.000 0.263 607 G C 0.058 174.839 174.900 -0.198 0.000 0.977 607 G CA 0.286 45.268 45.100 -0.196 0.000 0.659 607 G HN 0.825 nan 8.290 nan 0.000 0.533 608 H N -1.031 117.900 119.070 -0.231 0.000 3.277 608 H HA 0.528 5.075 4.556 -0.015 0.000 0.329 608 H C -1.018 174.244 175.328 -0.110 0.000 1.034 608 H CA -0.365 55.555 56.048 -0.214 0.000 1.530 608 H CB 1.131 30.860 29.762 -0.056 0.000 1.837 608 H HN 0.282 nan 8.280 nan 0.000 0.493 609 V N 6.202 126.050 119.914 -0.110 0.000 2.398 609 V HA 0.476 4.587 4.120 -0.015 0.000 0.286 609 V C 0.313 176.249 176.094 -0.262 0.000 1.026 609 V CA -0.725 61.479 62.300 -0.160 0.000 0.868 609 V CB 1.426 33.261 31.823 0.020 0.000 0.982 609 V HN 0.661 nan 8.190 nan 0.000 0.443 610 R N 5.056 125.339 120.500 -0.362 0.000 2.360 610 R HA 0.694 5.025 4.340 -0.015 0.000 0.318 610 R C -1.467 174.680 176.300 -0.254 0.000 0.950 610 R CA -0.524 55.353 56.100 -0.371 0.000 0.837 610 R CB 1.126 31.212 30.300 -0.357 0.000 1.165 610 R HN 0.715 nan 8.270 nan 0.000 0.458 611 I N 4.694 125.092 120.570 -0.286 0.000 2.433 611 I HA 0.356 4.517 4.170 -0.015 0.000 0.292 611 I C -0.703 175.229 176.117 -0.308 0.000 1.001 611 I CA -1.053 60.107 61.300 -0.233 0.000 1.119 611 I CB 2.206 40.071 38.000 -0.225 0.000 1.289 611 I HN 0.256 nan 8.210 nan 0.000 0.438 612 V N 4.644 124.469 119.914 -0.149 0.000 2.540 612 V HA 0.752 4.862 4.120 -0.015 0.000 0.302 612 V C 0.291 176.444 176.094 0.097 0.000 1.035 612 V CA -0.495 61.768 62.300 -0.063 0.000 0.873 612 V CB 1.705 33.527 31.823 -0.002 0.000 0.992 612 V HN 0.890 nan 8.190 nan 0.000 0.428 613 G N 1.606 110.543 108.800 0.229 0.000 2.482 613 G HA2 0.599 4.550 3.960 -0.015 0.000 0.317 613 G HA3 0.599 4.550 3.960 -0.015 0.000 0.317 613 G C -1.652 173.402 174.900 0.257 0.000 1.241 613 G CA -0.294 45.042 45.100 0.395 0.000 0.967 613 G HN 0.566 nan 8.290 nan 0.000 0.482 614 D N 1.105 121.617 120.400 0.186 0.000 2.453 614 D HA 0.494 5.124 4.640 -0.015 0.000 0.238 614 D C 0.410 176.789 176.300 0.132 0.000 1.088 614 D CA -0.603 53.484 54.000 0.146 0.000 0.854 614 D CB 1.563 42.431 40.800 0.112 0.000 1.076 614 D HN 0.376 nan 8.370 nan 0.000 0.533 615 A N 3.176 126.094 122.820 0.163 0.000 2.610 615 A HA 0.200 4.511 4.320 -0.015 0.000 0.286 615 A C 1.614 179.340 177.584 0.237 0.000 1.306 615 A CA -0.200 51.945 52.037 0.179 0.000 0.942 615 A CB -0.060 19.088 19.000 0.247 0.000 1.112 615 A HN 0.536 nan 8.150 nan 0.000 0.527 616 T N 0.779 115.434 114.554 0.169 0.000 2.580 616 T HA -0.237 4.103 4.350 -0.015 0.000 0.265 616 T C 2.349 177.139 174.700 0.151 0.000 1.063 616 T CA 2.178 64.371 62.100 0.156 0.000 1.170 616 T CB -0.408 68.521 68.868 0.101 0.000 0.863 616 T HN 0.689 nan 8.240 nan 0.000 0.418 617 A N 1.625 124.500 122.820 0.092 0.000 1.917 617 A HA -0.014 4.297 4.320 -0.015 0.000 0.219 617 A C 2.685 180.296 177.584 0.044 0.000 1.182 617 A CA 2.301 54.371 52.037 0.055 0.000 0.633 617 A CB -1.302 17.713 19.000 0.025 0.000 0.819 617 A HN 0.575 nan 8.150 nan 0.000 0.448 618 A N -1.592 121.245 122.820 0.028 0.000 1.917 618 A HA -0.138 4.173 4.320 -0.015 0.000 0.219 618 A C 2.089 179.579 177.584 -0.157 0.000 1.182 618 A CA 1.811 53.798 52.037 -0.083 0.000 0.633 618 A CB -0.742 18.157 19.000 -0.169 0.000 0.819 618 A HN 0.659 nan 8.150 nan 0.000 0.448 619 Y N -0.863 119.451 120.300 0.023 0.000 2.347 619 Y HA -0.048 4.493 4.550 -0.015 0.000 0.294 619 Y C 2.690 178.610 175.900 0.032 0.000 1.117 619 Y CA 1.193 59.309 58.100 0.028 0.000 1.184 619 Y CB -0.276 38.201 38.460 0.028 0.000 1.047 619 Y HN 0.319 nan 8.280 nan 0.000 0.546 620 Q N -0.215 119.686 119.800 0.169 0.000 2.181 620 Q HA -0.170 4.161 4.340 -0.015 0.000 0.205 620 Q C 2.290 178.324 176.000 0.056 0.000 0.980 620 Q CA 1.690 57.553 55.803 0.100 0.000 0.862 620 Q CB -0.268 28.514 28.738 0.073 0.000 0.905 620 Q HN 0.350 nan 8.270 nan 0.000 0.429 621 V N 0.464 120.398 119.914 0.033 0.000 2.332 621 V HA -0.258 3.853 4.120 -0.015 0.000 0.248 621 V C 1.989 178.089 176.094 0.011 0.000 1.055 621 V CA 1.960 64.248 62.300 -0.019 0.000 1.038 621 V CB -0.604 31.177 31.823 -0.071 0.000 0.651 621 V HN 0.374 nan 8.190 nan 0.000 0.450 622 A N -0.947 121.918 122.820 0.075 0.000 2.267 622 A HA 0.179 4.490 4.320 -0.015 0.000 0.213 622 A C 0.983 178.616 177.584 0.082 0.000 1.192 622 A CA 0.393 52.490 52.037 0.100 0.000 0.851 622 A CB -0.086 18.987 19.000 0.123 0.000 0.881 622 A HN 0.492 nan 8.150 nan 0.000 0.494 623 N N -0.379 118.372 118.700 0.085 0.000 2.653 623 N HA 0.218 4.948 4.740 -0.015 0.000 0.261 623 N C -2.619 172.933 175.510 0.070 0.000 1.216 623 N CA -1.580 51.519 53.050 0.082 0.000 0.784 623 N CB 1.610 40.162 38.487 0.109 0.000 1.327 623 N HN -0.124 nan 8.380 nan 0.000 0.539 624 P HA -0.091 nan 4.420 nan 0.000 0.223 624 P C 1.369 178.694 177.300 0.042 0.000 1.144 624 P CA 0.687 63.810 63.100 0.039 0.000 0.783 624 P CB 0.618 32.335 31.700 0.027 0.000 0.771 625 L N -1.018 120.232 121.223 0.046 0.000 2.275 625 L HA -0.035 4.295 4.340 -0.015 0.000 0.215 625 L C 1.079 177.978 176.870 0.048 0.000 1.119 625 L CA 0.402 55.268 54.840 0.043 0.000 0.790 625 L CB -0.657 41.428 42.059 0.043 0.000 0.919 625 L HN -0.205 nan 8.230 nan 0.000 0.443 626 V N 0.613 120.563 119.914 0.060 0.000 2.521 626 V HA -0.062 4.049 4.120 -0.015 0.000 0.286 626 V C 0.868 176.997 176.094 0.058 0.000 1.034 626 V CA 0.454 62.792 62.300 0.063 0.000 1.045 626 V CB 1.226 33.104 31.823 0.092 0.000 0.974 626 V HN 0.368 nan 8.190 nan 0.000 0.480 627 Q N 2.894 122.725 119.800 0.051 0.000 2.391 627 Q HA 0.302 4.633 4.340 -0.015 0.000 0.243 627 Q C 0.459 176.491 176.000 0.054 0.000 0.874 627 Q CA 0.208 56.040 55.803 0.049 0.000 0.950 627 Q CB 0.988 29.751 28.738 0.041 0.000 1.103 627 Q HN 0.673 nan 8.270 nan 0.000 0.544 628 K N 0.372 120.805 120.400 0.055 0.000 2.561 628 K HA 0.396 4.707 4.320 -0.015 0.000 0.254 628 K C -1.979 174.653 176.600 0.053 0.000 0.942 628 K CA -0.357 55.967 56.287 0.062 0.000 0.818 628 K CB 2.282 34.820 32.500 0.063 0.000 1.306 628 K HN -0.176 nan 8.250 nan 0.000 0.435 629 V N 5.751 125.703 119.914 0.064 0.000 2.419 629 V HA 0.439 4.550 4.120 -0.015 0.000 0.287 629 V C -0.785 175.370 176.094 0.102 0.000 1.017 629 V CA -0.708 61.617 62.300 0.041 0.000 0.844 629 V CB 1.120 32.926 31.823 -0.028 0.000 1.011 629 V HN 0.626 nan 8.190 nan 0.000 0.429 630 L N 4.545 125.837 121.223 0.115 0.000 2.346 630 L HA 0.756 5.086 4.340 -0.015 0.000 0.274 630 L C -0.176 176.803 176.870 0.182 0.000 1.007 630 L CA -0.721 54.208 54.840 0.148 0.000 0.818 630 L CB 2.431 44.568 42.059 0.129 0.000 1.284 630 L HN 0.576 nan 8.230 nan 0.000 0.424 631 R N 1.890 122.524 120.500 0.222 0.000 2.532 631 R HA 0.431 4.762 4.340 -0.015 0.000 0.297 631 R C -1.259 175.116 176.300 0.125 0.000 0.984 631 R CA -0.509 55.738 56.100 0.245 0.000 0.884 631 R CB 1.791 32.319 30.300 0.380 0.000 1.182 631 R HN 0.643 nan 8.270 nan 0.000 0.442 632 E N 1.997 122.253 120.200 0.093 0.000 2.204 632 E HA 0.245 4.586 4.350 -0.015 0.000 0.276 632 E C -0.818 175.733 176.600 -0.083 0.000 0.974 632 E CA -0.780 55.585 56.400 -0.058 0.000 0.815 632 E CB 2.115 31.843 29.700 0.045 0.000 1.119 632 E HN 0.621 nan 8.360 nan 0.000 0.393 633 T N 0.077 114.453 114.554 -0.296 0.000 2.847 633 T HA 0.419 4.760 4.350 -0.015 0.000 0.291 633 T C -0.867 173.690 174.700 -0.237 0.000 0.998 633 T CA -0.947 61.058 62.100 -0.159 0.000 0.967 633 T CB 0.509 69.306 68.868 -0.118 0.000 0.954 633 T HN 0.360 nan 8.240 nan 0.000 0.441 634 H N 2.298 121.363 119.070 -0.009 0.000 2.476 634 H HA 0.536 5.083 4.556 -0.015 0.000 0.328 634 H C -1.103 174.099 175.328 -0.210 0.000 1.073 634 H CA -0.874 55.144 56.048 -0.049 0.000 1.229 634 H CB 0.953 30.694 29.762 -0.036 0.000 1.432 634 H HN 0.624 nan 8.280 nan 0.000 0.477 635 F N 4.650 124.371 119.950 -0.382 0.000 2.361 635 F HA 0.410 4.928 4.527 -0.014 0.000 0.364 635 F C -1.026 174.344 175.800 -0.716 0.000 1.120 635 F CA -1.043 56.481 58.000 -0.793 0.000 1.102 635 F CB 0.325 38.920 39.000 -0.675 0.000 1.183 635 F HN 0.254 nan 8.300 nan 0.000 0.476 636 V N 6.643 125.753 119.914 -1.340 0.000 2.398 636 V HA 0.251 4.362 4.120 -0.015 0.000 0.286 636 V C 0.017 175.310 176.094 -1.336 0.000 1.026 636 V CA -1.088 60.343 62.300 -1.448 0.000 0.868 636 V CB 1.364 32.020 31.823 -1.946 0.000 0.982 636 V HN 0.769 nan 8.190 nan 0.000 0.443 637 N N 3.504 121.680 118.700 -0.874 0.000 2.710 637 N HA -0.209 4.521 4.740 -0.015 0.000 0.249 637 N C 0.370 175.521 175.510 -0.598 0.000 1.059 637 N CA 1.218 53.934 53.050 -0.556 0.000 0.720 637 N CB -0.915 37.377 38.487 -0.325 0.000 0.983 637 N HN 0.967 nan 8.380 nan 0.000 0.544 638 D N -2.526 117.310 120.400 -0.940 0.000 2.792 638 D HA -0.223 4.408 4.640 -0.015 0.000 0.231 638 D C 0.686 176.641 176.300 -0.574 0.000 1.160 638 D CA 1.446 54.906 54.000 -0.901 0.000 0.697 638 D CB -0.921 39.693 40.800 -0.310 0.000 1.070 638 D HN 0.578 nan 8.370 nan 0.000 0.426 639 S N -1.854 113.417 115.700 -0.715 0.000 3.171 639 S HA 0.175 4.635 4.470 -0.015 0.000 0.258 639 S C 0.041 174.604 174.600 -0.062 0.000 1.083 639 S CA 0.194 58.280 58.200 -0.191 0.000 0.801 639 S CB 0.706 63.904 63.200 -0.005 0.000 0.831 639 S HN 0.382 nan 8.310 nan 0.000 0.462 640 Y N -1.030 119.009 120.300 -0.435 0.000 2.715 640 Y HA 0.812 5.353 4.550 -0.016 0.000 0.331 640 Y C -1.484 174.055 175.900 -0.602 0.000 1.197 640 Y CA -1.825 56.077 58.100 -0.329 0.000 1.079 640 Y CB 0.540 38.869 38.460 -0.219 0.000 1.298 640 Y HN 0.002 nan 8.280 nan 0.000 0.477 641 F N 0.472 120.412 119.950 -0.017 0.000 2.532 641 F HA 0.697 5.216 4.527 -0.015 0.000 0.321 641 F C -0.867 174.862 175.800 -0.119 0.000 1.089 641 F CA -1.227 56.679 58.000 -0.158 0.000 0.926 641 F CB 2.403 41.267 39.000 -0.227 0.000 1.168 641 F HN 0.306 nan 8.300 nan 0.000 0.459 642 V N 4.820 124.752 119.914 0.030 0.000 2.444 642 V HA 0.425 4.535 4.120 -0.015 0.000 0.294 642 V C -0.471 175.753 176.094 0.217 0.000 1.022 642 V CA -0.677 61.653 62.300 0.050 0.000 0.850 642 V CB 1.498 33.248 31.823 -0.122 0.000 0.992 642 V HN 0.420 nan 8.190 nan 0.000 0.426 643 I N 5.497 126.205 120.570 0.230 0.000 2.321 643 I HA 0.447 4.607 4.170 -0.015 0.000 0.291 643 I C -0.112 176.207 176.117 0.337 0.000 0.998 643 I CA -0.634 60.847 61.300 0.300 0.000 1.227 643 I CB 1.604 39.853 38.000 0.414 0.000 1.368 643 I HN 0.250 nan 8.210 nan 0.000 0.466 644 V N 5.653 125.766 119.914 0.331 0.000 2.357 644 V HA 0.355 4.466 4.120 -0.015 0.000 0.284 644 V C -0.236 176.038 176.094 0.301 0.000 1.018 644 V CA -0.671 61.814 62.300 0.309 0.000 0.841 644 V CB 1.752 33.753 31.823 0.296 0.000 0.991 644 V HN 0.584 nan 8.190 nan 0.000 0.437 645 D N 4.308 124.897 120.400 0.315 0.000 2.303 645 D HA 0.442 5.073 4.640 -0.015 0.000 0.236 645 D C -0.312 176.127 176.300 0.231 0.000 1.068 645 D CA -0.221 53.949 54.000 0.284 0.000 0.830 645 D CB 2.254 43.254 40.800 0.334 0.000 1.109 645 D HN 0.586 nan 8.370 nan 0.000 0.496 646 E N 1.270 121.584 120.200 0.190 0.000 2.220 646 E HA 0.424 4.765 4.350 -0.015 0.000 0.256 646 E C -0.996 175.683 176.600 0.132 0.000 0.881 646 E CA -0.697 55.803 56.400 0.167 0.000 0.766 646 E CB 2.354 32.144 29.700 0.150 0.000 1.187 646 E HN 0.078 nan 8.360 nan 0.000 0.419 647 V N 3.214 123.214 119.914 0.144 0.000 2.588 647 V HA 0.323 4.434 4.120 -0.015 0.000 0.304 647 V C -0.501 175.658 176.094 0.109 0.000 1.042 647 V CA -0.756 61.608 62.300 0.107 0.000 0.877 647 V CB 2.002 33.883 31.823 0.097 0.000 0.996 647 V HN 0.630 nan 8.190 nan 0.000 0.425 648 E N 2.977 123.220 120.200 0.071 0.000 2.210 648 E HA 0.631 4.972 4.350 -0.015 0.000 0.266 648 E C -1.424 175.204 176.600 0.047 0.000 0.883 648 E CA -0.453 55.979 56.400 0.054 0.000 0.761 648 E CB 2.118 31.847 29.700 0.048 0.000 1.156 648 E HN 0.656 nan 8.360 nan 0.000 0.412 649 C N 1.012 120.335 119.300 0.039 0.000 2.779 649 C HA 0.252 4.702 4.460 -0.015 0.000 0.314 649 C C 1.816 176.822 174.990 0.026 0.000 1.231 649 C CA -0.483 58.557 59.018 0.038 0.000 1.652 649 C CB 1.587 29.355 27.740 0.047 0.000 2.198 649 C HN 0.961 nan 8.230 nan 0.000 0.483 650 S N -0.006 115.711 115.700 0.028 0.000 2.461 650 S HA 0.034 4.495 4.470 -0.015 0.000 0.228 650 S C 0.164 174.775 174.600 0.017 0.000 1.005 650 S CA 0.712 58.925 58.200 0.022 0.000 0.942 650 S CB -0.128 63.086 63.200 0.023 0.000 0.776 650 S HN 0.854 nan 8.310 nan 0.000 0.514 651 E N 0.940 121.152 120.200 0.020 0.000 2.369 651 E HA 0.456 4.797 4.350 -0.015 0.000 0.270 651 E C -3.137 173.473 176.600 0.018 0.000 0.909 651 E CA -3.013 53.397 56.400 0.017 0.000 0.775 651 E CB 1.592 31.304 29.700 0.021 0.000 1.270 651 E HN 0.018 nan 8.360 nan 0.000 0.445 652 P HA -0.051 nan 4.420 nan 0.000 0.262 652 P C -1.081 176.244 177.300 0.042 0.000 1.182 652 P CA 0.434 63.540 63.100 0.011 0.000 0.761 652 P CB 0.445 32.149 31.700 0.006 0.000 0.795 653 Q N 1.951 121.798 119.800 0.078 0.000 2.331 653 Q HA 0.275 4.606 4.340 -0.015 0.000 0.272 653 Q C -0.206 175.918 176.000 0.205 0.000 1.062 653 Q CA -0.666 55.204 55.803 0.112 0.000 0.806 653 Q CB 2.355 31.153 28.738 0.099 0.000 1.312 653 Q HN 0.475 nan 8.270 nan 0.000 0.431 654 E N 0.984 121.261 120.200 0.129 0.000 2.408 654 E HA 0.232 4.572 4.350 -0.015 0.000 0.259 654 E C -0.597 175.994 176.600 -0.014 0.000 1.110 654 E CA -0.272 56.189 56.400 0.101 0.000 0.929 654 E CB 0.765 30.492 29.700 0.046 0.000 0.971 654 E HN 0.173 nan 8.360 nan 0.000 0.438 655 L N 1.858 122.960 121.223 -0.202 0.000 2.356 655 L HA 0.222 4.552 4.340 -0.015 0.000 0.277 655 L C -1.210 175.581 176.870 -0.131 0.000 0.996 655 L CA -0.108 54.545 54.840 -0.311 0.000 0.822 655 L CB 1.608 43.199 42.059 -0.781 0.000 1.256 655 L HN 0.410 nan 8.230 nan 0.000 0.413 656 Q N 4.022 123.798 119.800 -0.041 0.000 2.322 656 Q HA 0.328 4.659 4.340 -0.015 0.000 0.265 656 Q C -1.809 174.261 176.000 0.117 0.000 0.985 656 Q CA -0.277 55.545 55.803 0.032 0.000 0.849 656 Q CB 2.100 30.859 28.738 0.034 0.000 1.274 656 Q HN 0.703 nan 8.270 nan 0.000 0.449 657 W N 5.188 126.474 121.300 -0.023 0.000 2.417 657 W HA 0.541 5.193 4.660 -0.015 0.000 0.315 657 W C -1.742 174.832 176.519 0.092 0.000 1.045 657 W CA -0.476 56.918 57.345 0.082 0.000 1.221 657 W CB 0.736 30.296 29.460 0.167 0.000 1.309 657 W HN 0.491 nan 8.180 nan 0.000 0.453 658 L N 7.012 128.083 121.223 -0.253 0.000 2.342 658 L HA 0.683 5.014 4.340 -0.015 0.000 0.271 658 L C -0.689 175.862 176.870 -0.532 0.000 1.008 658 L CA -1.038 53.652 54.840 -0.250 0.000 0.818 658 L CB 1.814 43.742 42.059 -0.218 0.000 1.296 658 L HN 0.395 nan 8.230 nan 0.000 0.427 659 C N 1.876 120.979 119.300 -0.329 0.000 2.642 659 C HA 0.454 4.904 4.460 -0.015 0.000 0.344 659 C C -0.627 174.267 174.990 -0.161 0.000 1.110 659 C CA -0.415 58.482 59.018 -0.201 0.000 1.298 659 C CB 0.901 28.726 27.740 0.142 0.000 1.827 659 C HN 0.756 nan 8.230 nan 0.000 0.467 660 H N 3.343 122.391 119.070 -0.036 0.000 2.458 660 H HA 0.616 5.162 4.556 -0.015 0.000 0.330 660 H C 0.209 175.524 175.328 -0.022 0.000 1.111 660 H CA 0.107 56.167 56.048 0.020 0.000 1.245 660 H CB 2.161 31.907 29.762 -0.028 0.000 1.456 660 H HN 0.803 nan 8.280 nan 0.000 0.488 661 T N -0.771 113.798 114.554 0.025 0.000 2.865 661 T HA 0.314 4.655 4.350 -0.015 0.000 0.294 661 T C 1.074 175.672 174.700 -0.171 0.000 1.119 661 T CA -0.944 61.004 62.100 -0.252 0.000 1.007 661 T CB 1.160 69.587 68.868 -0.735 0.000 1.225 661 T HN 0.358 nan 8.240 nan 0.000 0.515 662 L N 0.390 121.478 121.223 -0.225 0.000 2.179 662 L HA 0.324 4.655 4.340 -0.015 0.000 0.208 662 L C 1.596 178.632 176.870 0.276 0.000 1.096 662 L CA 1.083 55.956 54.840 0.054 0.000 0.779 662 L CB -0.545 41.583 42.059 0.116 0.000 0.922 662 L HN 0.928 nan 8.230 nan 0.000 0.443 663 G N -1.262 107.682 108.800 0.240 0.000 2.644 663 G HA2 0.627 4.578 3.960 -0.015 0.000 0.307 663 G HA3 0.627 4.578 3.960 -0.015 0.000 0.307 663 G C -0.977 173.818 174.900 -0.176 0.000 1.250 663 G CA -0.215 45.016 45.100 0.218 0.000 0.996 663 G HN 0.106 nan 8.290 nan 0.000 0.489 664 A N 1.291 123.731 122.820 -0.635 0.000 2.488 664 A HA 0.560 4.870 4.320 -0.015 0.000 0.249 664 A C -1.798 175.753 177.584 -0.055 0.000 1.083 664 A CA -0.730 50.939 52.037 -0.614 0.000 0.768 664 A CB -0.136 18.574 19.000 -0.483 0.000 1.017 664 A HN 0.456 nan 8.150 nan 0.000 0.496 665 P HA 0.335 nan 4.420 nan 0.000 0.277 665 P C -0.936 176.424 177.300 0.100 0.000 1.240 665 P CA -0.337 62.852 63.100 0.149 0.000 0.798 665 P CB 0.833 32.627 31.700 0.158 0.000 0.979 666 Q N 0.432 120.305 119.800 0.122 0.000 2.230 666 Q HA 0.511 4.842 4.340 -0.015 0.000 0.253 666 Q C 0.238 176.323 176.000 0.142 0.000 0.919 666 Q CA -0.109 55.747 55.803 0.089 0.000 0.908 666 Q CB 1.003 29.771 28.738 0.050 0.000 1.245 666 Q HN 0.487 nan 8.270 nan 0.000 0.437 667 T N -1.732 112.892 114.554 0.117 0.000 2.940 667 T HA 0.903 5.243 4.350 -0.015 0.000 0.288 667 T C 0.137 174.900 174.700 0.105 0.000 1.033 667 T CA -0.494 61.699 62.100 0.155 0.000 1.033 667 T CB 1.835 70.786 68.868 0.138 0.000 1.079 667 T HN 0.556 nan 8.240 nan 0.000 0.496 668 G N 0.006 108.878 108.800 0.120 0.000 3.222 668 G HA2 0.430 4.381 3.960 -0.015 0.000 0.263 668 G HA3 0.430 4.381 3.960 -0.015 0.000 0.263 668 G C 0.360 175.315 174.900 0.091 0.000 1.312 668 G CA -0.830 44.315 45.100 0.074 0.000 0.934 668 G HN 0.706 nan 8.290 nan 0.000 0.577 669 R N -0.772 119.769 120.500 0.068 0.000 2.073 669 R HA -0.020 4.311 4.340 -0.015 0.000 0.229 669 R C 1.546 177.912 176.300 0.109 0.000 1.120 669 R CA 1.896 58.038 56.100 0.070 0.000 0.967 669 R CB -0.118 30.209 30.300 0.045 0.000 0.862 669 R HN 0.477 nan 8.270 nan 0.000 0.436 670 S N -1.090 114.692 115.700 0.137 0.000 3.021 670 S HA 0.175 4.636 4.470 -0.015 0.000 0.252 670 S C -0.372 174.399 174.600 0.285 0.000 0.996 670 S CA -0.453 57.883 58.200 0.228 0.000 1.084 670 S CB 0.598 63.897 63.200 0.164 0.000 1.021 670 S HN 0.223 nan 8.310 nan 0.000 0.566 671 S N 0.800 116.644 115.700 0.240 0.000 2.638 671 S HA 0.903 5.363 4.470 -0.015 0.000 0.274 671 S C -0.982 173.788 174.600 0.283 0.000 1.157 671 S CA -0.984 57.305 58.200 0.148 0.000 0.826 671 S CB 1.354 64.549 63.200 -0.009 0.000 1.139 671 S HN 0.947 nan 8.310 nan 0.000 0.474 672 F N -1.007 118.991 119.950 0.080 0.000 2.626 672 F HA 0.879 5.397 4.527 -0.015 0.000 0.311 672 F C -0.816 175.010 175.800 0.043 0.000 1.088 672 F CA -1.060 56.987 58.000 0.078 0.000 0.949 672 F CB 1.646 40.727 39.000 0.135 0.000 1.322 672 F HN 0.918 nan 8.300 nan 0.000 0.461 673 R N 2.043 122.589 120.500 0.076 0.000 2.604 673 R HA 0.490 4.821 4.340 -0.015 0.000 0.281 673 R C -2.558 173.766 176.300 0.041 0.000 1.020 673 R CA -0.845 55.223 56.100 -0.054 0.000 0.899 673 R CB 2.197 32.492 30.300 -0.008 0.000 1.205 673 R HN 0.929 nan 8.270 nan 0.000 0.450 674 Y N 3.951 124.086 120.300 -0.274 0.000 2.346 674 Y HA 0.489 5.030 4.550 -0.015 0.000 0.332 674 Y C -1.572 174.271 175.900 -0.095 0.000 0.985 674 Y CA -0.890 57.106 58.100 -0.173 0.000 1.112 674 Y CB 1.688 40.030 38.460 -0.197 0.000 1.170 674 Y HN 0.542 nan 8.280 nan 0.000 0.447 675 N N 4.173 122.447 118.700 -0.710 0.000 2.417 675 N HA 0.429 5.160 4.740 -0.015 0.000 0.274 675 N C 0.023 175.014 175.510 -0.864 0.000 0.987 675 N CA -0.029 52.664 53.050 -0.596 0.000 0.912 675 N CB 2.103 40.468 38.487 -0.205 0.000 1.177 675 N HN 0.996 nan 8.380 nan 0.000 0.490 676 G N 0.829 109.228 108.800 -0.668 0.000 2.975 676 G HA2 0.107 4.058 3.960 -0.015 0.000 0.159 676 G HA3 0.107 4.058 3.960 -0.015 0.000 0.159 676 G C 0.960 175.794 174.900 -0.108 0.000 1.525 676 G CA -0.011 44.900 45.100 -0.316 0.000 1.075 676 G HN 0.477 nan 8.290 nan 0.000 0.574 677 R N -0.028 120.466 120.500 -0.009 0.000 2.057 677 R HA 0.073 4.404 4.340 -0.015 0.000 0.224 677 R C 2.121 178.425 176.300 0.007 0.000 1.136 677 R CA 1.709 57.817 56.100 0.013 0.000 0.968 677 R CB -0.150 30.177 30.300 0.046 0.000 0.863 677 R HN 0.516 nan 8.270 nan 0.000 0.433 678 K N -1.955 118.450 120.400 0.009 0.000 2.481 678 K HA 0.402 4.713 4.320 -0.015 0.000 0.210 678 K C -0.427 176.175 176.600 0.004 0.000 1.161 678 K CA -0.068 56.228 56.287 0.015 0.000 1.023 678 K CB 1.483 34.002 32.500 0.032 0.000 0.971 678 K HN 0.089 nan 8.250 nan 0.000 0.577 679 A N 0.600 123.406 122.820 -0.024 0.000 2.527 679 A HA 0.855 5.166 4.320 -0.015 0.000 0.293 679 A C -0.702 176.795 177.584 -0.144 0.000 1.117 679 A CA -0.422 51.574 52.037 -0.070 0.000 0.723 679 A CB 1.879 20.861 19.000 -0.030 0.000 1.313 679 A HN 0.260 nan 8.150 nan 0.000 0.411 680 G N -1.153 107.423 108.800 -0.373 0.000 2.687 680 G HA2 0.830 4.780 3.960 -0.015 0.000 0.291 680 G HA3 0.830 4.780 3.960 -0.015 0.000 0.291 680 G C -1.215 173.218 174.900 -0.777 0.000 1.420 680 G CA -0.100 44.714 45.100 -0.477 0.000 0.796 680 G HN 1.822 nan 8.290 nan 0.000 0.485 681 F N -1.118 118.510 119.950 -0.536 0.000 2.654 681 F HA 0.792 5.309 4.527 -0.016 0.000 0.308 681 F C -1.391 174.432 175.800 0.039 0.000 1.108 681 F CA -1.744 56.062 58.000 -0.322 0.000 0.957 681 F CB 1.592 40.534 39.000 -0.098 0.000 1.309 681 F HN 0.810 nan 8.300 nan 0.000 0.446 682 Y N 0.692 120.989 120.300 -0.005 0.000 2.562 682 Y HA 0.974 5.514 4.550 -0.016 0.000 0.343 682 Y C -0.577 175.066 175.900 -0.429 0.000 1.025 682 Y CA -1.713 56.175 58.100 -0.354 0.000 1.082 682 Y CB 1.880 40.228 38.460 -0.188 0.000 1.264 682 Y HN 0.988 nan 8.280 nan 0.000 0.478 683 G N 1.862 110.139 108.800 -0.871 0.000 2.542 683 G HA2 0.525 4.476 3.960 -0.015 0.000 0.311 683 G HA3 0.525 4.476 3.960 -0.015 0.000 0.311 683 G C -2.131 172.450 174.900 -0.532 0.000 1.298 683 G CA -0.995 43.617 45.100 -0.812 0.000 0.973 683 G HN 0.821 nan 8.290 nan 0.000 0.487 684 Q N 1.042 120.588 119.800 -0.424 0.000 2.271 684 Q HA 0.415 4.745 4.340 -0.015 0.000 0.268 684 Q C -1.478 174.291 176.000 -0.384 0.000 1.021 684 Q CA -0.731 54.906 55.803 -0.277 0.000 0.802 684 Q CB 1.645 30.413 28.738 0.049 0.000 1.282 684 Q HN 0.430 nan 8.270 nan 0.000 0.431 685 F N 4.355 124.316 119.950 0.018 0.000 2.462 685 F HA 0.110 4.628 4.527 -0.015 0.000 0.354 685 F C 1.401 177.228 175.800 0.045 0.000 1.192 685 F CA -0.439 57.553 58.000 -0.013 0.000 1.173 685 F CB 0.487 39.456 39.000 -0.052 0.000 1.402 685 F HN 0.485 nan 8.300 nan 0.000 0.595 686 V N 0.777 120.805 119.914 0.191 0.000 2.951 686 V HA 0.056 4.167 4.120 -0.015 0.000 0.255 686 V C -0.279 175.948 176.094 0.221 0.000 1.088 686 V CA 0.747 63.152 62.300 0.176 0.000 1.109 686 V CB -0.843 31.081 31.823 0.168 0.000 0.724 686 V HN 0.569 nan 8.190 nan 0.000 0.471 687 Y N -0.157 120.201 120.300 0.097 0.000 2.442 687 Y HA 0.644 5.184 4.550 -0.016 0.000 0.330 687 Y C -0.759 175.198 175.900 0.096 0.000 1.100 687 Y CA -0.382 57.759 58.100 0.067 0.000 1.034 687 Y CB 1.993 40.475 38.460 0.038 0.000 1.285 687 Y HN -0.026 nan 8.280 nan 0.000 0.440 688 S N 3.420 118.800 115.700 -0.533 0.000 2.737 688 S HA 0.258 4.719 4.470 -0.015 0.000 0.269 688 S C 0.414 174.708 174.600 -0.511 0.000 1.150 688 S CA 0.023 58.012 58.200 -0.350 0.000 1.077 688 S CB 0.432 63.562 63.200 -0.117 0.000 1.075 688 S HN 0.927 nan 8.310 nan 0.000 0.476 689 S N 3.430 118.861 115.700 -0.448 0.000 2.382 689 S HA -0.024 4.436 4.470 -0.015 0.000 0.228 689 S C 1.811 176.341 174.600 -0.116 0.000 1.027 689 S CA 1.296 59.349 58.200 -0.244 0.000 0.991 689 S CB -0.726 62.481 63.200 0.013 0.000 0.823 689 S HN 0.901 nan 8.310 nan 0.000 0.469 690 G N 0.601 109.378 108.800 -0.037 0.000 2.920 690 G HA2 0.486 4.437 3.960 -0.015 0.000 0.208 690 G HA3 0.486 4.437 3.960 -0.015 0.000 0.208 690 G C 0.631 175.531 174.900 0.000 0.000 1.159 690 G CA 0.043 45.127 45.100 -0.027 0.000 0.784 690 G HN 1.244 nan 8.290 nan 0.000 0.535 691 G N -1.140 107.638 108.800 -0.037 0.000 2.375 691 G HA2 0.373 4.324 3.960 -0.015 0.000 0.663 691 G HA3 0.373 4.324 3.960 -0.015 0.000 0.663 691 G C -0.216 174.654 174.900 -0.050 0.000 1.391 691 G CA -0.247 44.831 45.100 -0.038 0.000 0.949 691 G HN 0.953 nan 8.290 nan 0.000 0.646 692 T N 0.473 114.999 114.554 -0.047 0.000 2.834 692 T HA 0.568 4.908 4.350 -0.015 0.000 0.298 692 T C -1.825 172.839 174.700 -0.060 0.000 0.966 692 T CA -0.790 61.283 62.100 -0.046 0.000 1.141 692 T CB 0.959 69.813 68.868 -0.022 0.000 0.905 692 T HN 0.407 nan 8.240 nan 0.000 0.535 693 P HA 0.123 nan 4.420 nan 0.000 0.266 693 P C -0.445 176.788 177.300 -0.113 0.000 1.195 693 P CA -0.093 62.894 63.100 -0.188 0.000 0.768 693 P CB 0.307 31.729 31.700 -0.464 0.000 0.838 694 Q N 2.074 121.820 119.800 -0.090 0.000 2.303 694 Q HA 0.464 4.795 4.340 -0.015 0.000 0.257 694 Q C -0.398 175.577 176.000 -0.042 0.000 0.941 694 Q CA -0.274 55.503 55.803 -0.042 0.000 0.931 694 Q CB 0.917 29.642 28.738 -0.022 0.000 1.215 694 Q HN 0.417 nan 8.270 nan 0.000 0.437 695 I N 1.680 122.251 120.570 0.002 0.000 2.378 695 I HA 0.361 4.522 4.170 -0.015 0.000 0.291 695 I C -0.396 175.747 176.117 0.044 0.000 0.992 695 I CA -0.384 60.941 61.300 0.041 0.000 1.154 695 I CB 1.756 39.842 38.000 0.143 0.000 1.315 695 I HN 0.473 nan 8.210 nan 0.000 0.448 696 S N 3.997 119.712 115.700 0.025 0.000 2.548 696 S HA 0.777 5.238 4.470 -0.015 0.000 0.286 696 S C -0.414 174.167 174.600 -0.031 0.000 1.098 696 S CA -0.757 57.444 58.200 0.001 0.000 0.930 696 S CB 2.070 65.263 63.200 -0.013 0.000 1.070 696 S HN 0.694 nan 8.310 nan 0.000 0.480 697 A N 1.933 124.732 122.820 -0.035 0.000 2.309 697 A HA 0.751 5.062 4.320 -0.015 0.000 0.298 697 A C -0.564 176.945 177.584 -0.126 0.000 1.165 697 A CA -0.539 51.453 52.037 -0.074 0.000 0.821 697 A CB 0.326 19.315 19.000 -0.019 0.000 1.102 697 A HN 0.634 nan 8.150 nan 0.000 0.500 698 V N 2.618 122.372 119.914 -0.266 0.000 2.604 698 V HA 0.363 4.474 4.120 -0.015 0.000 0.305 698 V C -0.040 175.922 176.094 -0.219 0.000 1.043 698 V CA -0.616 61.494 62.300 -0.318 0.000 0.888 698 V CB 1.755 33.203 31.823 -0.625 0.000 0.995 698 V HN 0.992 nan 8.190 nan 0.000 0.429 699 E N 2.155 122.263 120.200 -0.154 0.000 2.191 699 E HA 0.603 4.944 4.350 -0.015 0.000 0.278 699 E C 0.532 176.893 176.600 -0.399 0.000 0.972 699 E CA 0.469 56.724 56.400 -0.242 0.000 0.804 699 E CB 1.909 31.545 29.700 -0.106 0.000 1.110 699 E HN 1.049 nan 8.360 nan 0.000 0.394 700 G N 2.284 110.649 108.800 -0.726 0.000 2.553 700 G HA2 -0.284 3.666 3.960 -0.015 0.000 0.242 700 G HA3 -0.284 3.666 3.960 -0.015 0.000 0.242 700 G C -0.673 173.507 174.900 -1.199 0.000 1.277 700 G CA -0.424 44.061 45.100 -1.025 0.000 0.910 700 G HN 0.422 nan 8.290 nan 0.000 0.576 701 F N 1.296 120.869 119.950 -0.629 0.000 2.451 701 F HA 0.507 5.025 4.527 -0.015 0.000 0.367 701 F C -2.043 173.535 175.800 -0.369 0.000 1.100 701 F CA -1.884 55.569 58.000 -0.911 0.000 1.171 701 F CB 1.557 39.793 39.000 -1.273 0.000 1.405 701 F HN 0.138 nan 8.300 nan 0.000 0.482 702 P HA 0.055 nan 4.420 nan 0.000 0.262 702 P C 0.078 177.447 177.300 0.115 0.000 1.182 702 P CA 0.710 63.852 63.100 0.070 0.000 0.761 702 P CB 0.478 32.257 31.700 0.131 0.000 0.795 703 D N -0.092 120.365 120.400 0.095 0.000 3.028 703 D HA -0.138 4.493 4.640 -0.015 0.000 0.207 703 D C -0.071 176.285 176.300 0.093 0.000 1.100 703 D CA 0.957 55.009 54.000 0.087 0.000 0.995 703 D CB -0.966 39.885 40.800 0.085 0.000 1.108 703 D HN 0.253 nan 8.370 nan 0.000 0.421 704 I N 1.449 122.095 120.570 0.126 0.000 2.359 704 I HA 0.154 4.315 4.170 -0.015 0.000 0.294 704 I C 0.863 177.091 176.117 0.185 0.000 0.987 704 I CA -0.809 60.580 61.300 0.148 0.000 1.225 704 I CB 1.226 39.303 38.000 0.128 0.000 1.366 704 I HN -0.198 nan 8.210 nan 0.000 0.466 705 D N 9.685 130.138 120.400 0.089 0.000 2.479 705 D HA -0.009 4.622 4.640 -0.015 0.000 0.257 705 D C -1.331 174.908 176.300 -0.101 0.000 1.230 705 D CA -1.151 52.850 54.000 0.002 0.000 0.912 705 D CB 0.982 41.767 40.800 -0.026 0.000 1.130 705 D HN 0.280 nan 8.370 nan 0.000 0.515 706 P HA -0.160 nan 4.420 nan 0.000 0.222 706 P C 0.885 177.722 177.300 -0.772 0.000 1.147 706 P CA 1.007 63.637 63.100 -0.783 0.000 0.790 706 P CB 0.307 31.757 31.700 -0.417 0.000 0.780 707 K N 0.278 120.450 120.400 -0.381 0.000 2.147 707 K HA -0.122 4.189 4.320 -0.015 0.000 0.205 707 K C 2.100 178.557 176.600 -0.238 0.000 1.049 707 K CA 1.123 57.250 56.287 -0.266 0.000 0.936 707 K CB -0.224 32.183 32.500 -0.155 0.000 0.722 707 K HN 0.260 nan 8.250 nan 0.000 0.446 708 E N -0.075 120.004 120.200 -0.201 0.000 2.204 708 E HA -0.159 4.182 4.350 -0.015 0.000 0.195 708 E C 0.792 177.378 176.600 -0.024 0.000 0.990 708 E CA 1.019 57.375 56.400 -0.074 0.000 0.821 708 E CB 0.037 29.745 29.700 0.013 0.000 0.750 708 E HN 0.463 nan 8.360 nan 0.000 0.477 709 F N -0.502 119.375 119.950 -0.121 0.000 2.764 709 F HA 0.423 4.941 4.527 -0.015 0.000 0.310 709 F C -0.058 175.666 175.800 -0.128 0.000 1.124 709 F CA -0.827 57.072 58.000 -0.167 0.000 1.252 709 F CB -0.169 38.750 39.000 -0.135 0.000 1.010 709 F HN -0.346 nan 8.300 nan 0.000 0.518 710 E N 1.430 121.461 120.200 -0.282 0.000 2.452 710 E HA 0.298 4.638 4.350 -0.015 0.000 0.261 710 E C 1.286 177.826 176.600 -0.100 0.000 0.987 710 E CA 1.164 57.443 56.400 -0.203 0.000 0.926 710 E CB 0.547 30.136 29.700 -0.184 0.000 0.934 710 E HN 0.735 nan 8.360 nan 0.000 0.452 711 G N 2.970 111.736 108.800 -0.058 0.000 2.205 711 G HA2 -0.290 3.660 3.960 -0.015 0.000 0.261 711 G HA3 -0.290 3.660 3.960 -0.015 0.000 0.261 711 G C 0.141 175.030 174.900 -0.018 0.000 0.980 711 G CA 0.133 45.215 45.100 -0.031 0.000 0.632 711 G HN 0.407 nan 8.290 nan 0.000 0.533 712 L N 1.270 122.482 121.223 -0.018 0.000 2.325 712 L HA 0.447 4.778 4.340 -0.015 0.000 0.278 712 L C -0.277 176.663 176.870 0.116 0.000 1.023 712 L CA -1.307 53.503 54.840 -0.050 0.000 0.811 712 L CB 1.095 42.895 42.059 -0.433 0.000 1.249 712 L HN -0.054 nan 8.230 nan 0.000 0.431 713 D N 3.059 123.561 120.400 0.169 0.000 2.533 713 D HA 0.095 4.726 4.640 -0.015 0.000 0.236 713 D C 0.232 176.617 176.300 0.142 0.000 1.137 713 D CA 0.348 54.463 54.000 0.192 0.000 0.867 713 D CB 0.803 41.754 40.800 0.252 0.000 1.170 713 D HN 0.352 nan 8.370 nan 0.000 0.474 714 I N -0.316 120.252 120.570 -0.003 0.000 2.696 714 I HA 0.217 4.377 4.170 -0.015 0.000 0.284 714 I C 0.379 176.247 176.117 -0.414 0.000 1.129 714 I CA -0.332 60.745 61.300 -0.372 0.000 1.410 714 I CB 0.553 38.263 38.000 -0.484 0.000 1.399 714 I HN 0.272 nan 8.210 nan 0.000 0.579 715 H N 2.174 120.882 119.070 -0.603 0.000 2.530 715 H HA 0.596 5.143 4.556 -0.015 0.000 0.342 715 H C -1.003 173.956 175.328 -0.614 0.000 1.312 715 H CA -0.731 55.113 56.048 -0.340 0.000 1.376 715 H CB 1.142 30.864 29.762 -0.065 0.000 1.692 715 H HN 0.651 nan 8.280 nan 0.000 0.622 716 H N -1.342 117.758 119.070 0.051 0.000 2.894 716 H HA 0.341 4.888 4.556 -0.015 0.000 0.368 716 H C -0.933 174.441 175.328 0.077 0.000 1.181 716 H CA -0.829 55.211 56.048 -0.013 0.000 1.146 716 H CB 1.681 31.418 29.762 -0.042 0.000 1.839 716 H HN 0.771 nan 8.280 nan 0.000 0.557 717 H N -1.841 117.229 119.070 -0.000 0.000 3.016 717 H HA 0.616 5.163 4.556 -0.016 0.000 0.362 717 H C -1.655 173.582 175.328 -0.153 0.000 1.233 717 H CA -1.256 54.666 56.048 -0.210 0.000 1.124 717 H CB 0.806 30.168 29.762 -0.667 0.000 1.850 717 H HN 0.485 nan 8.280 nan 0.000 0.549 718 V N 1.200 121.019 119.914 -0.159 0.000 2.539 718 V HA 0.440 4.551 4.120 -0.015 0.000 0.292 718 V C -0.542 175.549 176.094 -0.006 0.000 1.045 718 V CA -0.446 61.751 62.300 -0.172 0.000 0.945 718 V CB 1.057 32.621 31.823 -0.432 0.000 0.993 718 V HN 1.023 nan 8.190 nan 0.000 0.464 719 C N 6.642 125.955 119.300 0.021 0.000 2.369 719 C HA 0.878 5.329 4.460 -0.015 0.000 0.322 719 C C 0.169 175.201 174.990 0.070 0.000 1.258 719 C CA -0.193 58.885 59.018 0.100 0.000 1.487 719 C CB 0.168 27.964 27.740 0.093 0.000 2.165 719 C HN 1.165 nan 8.230 nan 0.000 0.483 720 A N 4.972 127.842 122.820 0.083 0.000 2.285 720 A HA 0.694 5.004 4.320 -0.015 0.000 0.310 720 A C -0.003 177.520 177.584 -0.101 0.000 1.266 720 A CA -0.147 51.819 52.037 -0.119 0.000 0.832 720 A CB 0.631 19.297 19.000 -0.557 0.000 1.163 720 A HN 0.860 nan 8.150 nan 0.000 0.499 721 T N 2.415 116.914 114.554 -0.092 0.000 2.749 721 T HA 0.469 4.809 4.350 -0.015 0.000 0.287 721 T C -0.041 174.608 174.700 -0.085 0.000 0.970 721 T CA -0.245 61.817 62.100 -0.063 0.000 0.980 721 T CB 1.040 69.895 68.868 -0.022 0.000 0.924 721 T HN 0.387 nan 8.240 nan 0.000 0.456 722 V N 6.583 126.444 119.914 -0.087 0.000 2.439 722 V HA 0.320 4.430 4.120 -0.015 0.000 0.282 722 V C -2.101 174.022 176.094 0.048 0.000 1.039 722 V CA -2.366 59.911 62.300 -0.037 0.000 0.913 722 V CB 1.046 32.840 31.823 -0.050 0.000 0.983 722 V HN 0.674 nan 8.190 nan 0.000 0.460 723 P HA 0.072 nan 4.420 nan 0.000 0.267 723 P C -0.161 177.219 177.300 0.133 0.000 1.201 723 P CA 0.117 63.259 63.100 0.069 0.000 0.775 723 P CB 0.392 32.114 31.700 0.037 0.000 0.854 724 A N 1.999 124.878 122.820 0.098 0.000 2.565 724 A HA 0.429 4.740 4.320 -0.015 0.000 0.237 724 A C 0.346 177.946 177.584 0.027 0.000 1.053 724 A CA 1.030 53.132 52.037 0.109 0.000 0.755 724 A CB -0.797 18.242 19.000 0.065 0.000 0.980 724 A HN 0.616 nan 8.150 nan 0.000 0.506 725 A N 1.373 124.161 122.820 -0.053 0.000 2.604 725 A HA 0.642 4.952 4.320 -0.015 0.000 0.295 725 A C 0.730 178.191 177.584 -0.206 0.000 1.067 725 A CA 0.226 52.124 52.037 -0.231 0.000 0.683 725 A CB 0.270 18.977 19.000 -0.488 0.000 1.281 725 A HN 1.689 nan 8.150 nan 0.000 0.407 726 T N -1.190 113.283 114.554 -0.136 0.000 3.023 726 T HA 0.141 4.482 4.350 -0.015 0.000 0.266 726 T C 0.576 175.226 174.700 -0.083 0.000 1.093 726 T CA 0.657 62.713 62.100 -0.072 0.000 1.129 726 T CB -0.124 68.724 68.868 -0.033 0.000 0.899 726 T HN 0.529 nan 8.240 nan 0.000 0.491 727 R N 1.341 121.745 120.500 -0.159 0.000 2.513 727 R HA 0.443 4.774 4.340 -0.015 0.000 0.301 727 R C -1.247 174.915 176.300 -0.230 0.000 0.968 727 R CA -0.544 55.493 56.100 -0.104 0.000 0.872 727 R CB 1.329 31.608 30.300 -0.035 0.000 1.177 727 R HN 0.419 nan 8.270 nan 0.000 0.444 728 H N 1.970 121.069 119.070 0.049 0.000 2.529 728 H HA 0.379 4.926 4.556 -0.016 0.000 0.348 728 H C -0.443 174.945 175.328 0.100 0.000 1.079 728 H CA -0.568 55.515 56.048 0.059 0.000 1.198 728 H CB 2.892 32.686 29.762 0.052 0.000 1.521 728 H HN 0.311 nan 8.280 nan 0.000 0.514 729 R N 3.607 124.263 120.500 0.260 0.000 2.468 729 R HA 0.314 4.644 4.340 -0.015 0.000 0.302 729 R C -1.752 174.733 176.300 0.309 0.000 1.041 729 R CA -0.846 55.427 56.100 0.288 0.000 0.899 729 R CB 0.646 31.145 30.300 0.333 0.000 1.167 729 R HN 0.342 nan 8.270 nan 0.000 0.483 730 L N 5.287 126.681 121.223 0.285 0.000 2.349 730 L HA 0.496 4.827 4.340 -0.015 0.000 0.278 730 L C -1.509 175.542 176.870 0.302 0.000 0.996 730 L CA -0.588 54.410 54.840 0.262 0.000 0.825 730 L CB 2.084 44.261 42.059 0.197 0.000 1.243 730 L HN 0.357 nan 8.230 nan 0.000 0.412 731 V N 3.893 123.999 119.914 0.321 0.000 2.357 731 V HA 0.549 4.660 4.120 -0.015 0.000 0.284 731 V C -0.094 176.134 176.094 0.223 0.000 1.018 731 V CA -0.401 62.075 62.300 0.292 0.000 0.841 731 V CB 1.540 33.547 31.823 0.308 0.000 0.991 731 V HN 0.827 nan 8.190 nan 0.000 0.437 732 T N 6.271 120.911 114.554 0.143 0.000 2.786 732 T HA 0.514 4.855 4.350 -0.015 0.000 0.283 732 T C -0.483 174.221 174.700 0.007 0.000 0.992 732 T CA -0.308 61.744 62.100 -0.081 0.000 0.954 732 T CB 1.332 69.980 68.868 -0.367 0.000 0.934 732 T HN 0.459 nan 8.240 nan 0.000 0.440 733 L N 4.651 125.861 121.223 -0.021 0.000 2.305 733 L HA 0.661 4.992 4.340 -0.015 0.000 0.281 733 L C -1.004 175.798 176.870 -0.113 0.000 1.085 733 L CA -0.342 54.496 54.840 -0.004 0.000 0.813 733 L CB 0.514 42.634 42.059 0.102 0.000 1.157 733 L HN 0.661 nan 8.230 nan 0.000 0.436 734 L N 6.050 127.250 121.223 -0.038 0.000 2.372 734 L HA 0.569 4.900 4.340 -0.015 0.000 0.273 734 L C -1.387 175.485 176.870 0.004 0.000 0.989 734 L CA -0.542 54.297 54.840 -0.001 0.000 0.841 734 L CB 1.708 43.862 42.059 0.159 0.000 1.225 734 L HN 0.463 nan 8.230 nan 0.000 0.414 735 V N 6.369 126.136 119.914 -0.245 0.000 2.304 735 V HA 0.427 4.537 4.120 -0.015 0.000 0.278 735 V C -2.135 174.014 176.094 0.091 0.000 1.018 735 V CA -1.402 60.796 62.300 -0.169 0.000 0.814 735 V CB 1.135 32.614 31.823 -0.572 0.000 1.021 735 V HN 0.582 nan 8.190 nan 0.000 0.440 736 P HA 0.533 nan 4.420 nan 0.000 0.279 736 P C -1.519 175.888 177.300 0.178 0.000 1.252 736 P CA -0.251 62.941 63.100 0.153 0.000 0.811 736 P CB 1.134 32.982 31.700 0.247 0.000 1.035 737 Y N -2.834 117.467 120.300 0.001 0.000 2.624 737 Y HA 0.541 5.082 4.550 -0.015 0.000 0.334 737 Y C -0.327 175.172 175.900 -0.669 0.000 1.155 737 Y CA -1.442 56.419 58.100 -0.399 0.000 1.046 737 Y CB 0.193 38.571 38.460 -0.136 0.000 1.316 737 Y HN 0.330 nan 8.280 nan 0.000 0.457 738 S N 1.253 116.537 115.700 -0.693 0.000 2.576 738 S HA 0.255 4.715 4.470 -0.015 0.000 0.276 738 S C 0.719 175.361 174.600 0.070 0.000 1.339 738 S CA -0.570 57.494 58.200 -0.226 0.000 1.039 738 S CB 0.337 63.480 63.200 -0.096 0.000 0.902 738 S HN 0.803 nan 8.310 nan 0.000 0.516 739 L N 3.860 125.131 121.223 0.079 0.000 2.376 739 L HA -0.016 4.315 4.340 -0.015 0.000 0.219 739 L C 2.350 179.246 176.870 0.043 0.000 1.133 739 L CA 0.890 55.794 54.840 0.105 0.000 0.816 739 L CB -0.315 41.782 42.059 0.063 0.000 0.933 739 L HN 0.717 nan 8.230 nan 0.000 0.449 740 K N 0.409 120.827 120.400 0.030 0.000 2.097 740 K HA -0.065 4.246 4.320 -0.015 0.000 0.205 740 K C 0.250 176.853 176.600 0.004 0.000 1.050 740 K CA 0.966 57.264 56.287 0.018 0.000 0.938 740 K CB 0.168 32.685 32.500 0.029 0.000 0.718 740 K HN 0.286 nan 8.250 nan 0.000 0.442 741 E N 0.678 120.879 120.200 0.002 0.000 3.374 741 E HA 0.186 4.526 4.350 -0.015 0.000 0.223 741 E C -2.666 173.900 176.600 -0.056 0.000 1.210 741 E CA -1.805 54.586 56.400 -0.015 0.000 0.987 741 E CB 1.405 31.114 29.700 0.016 0.000 1.322 741 E HN 0.014 nan 8.360 nan 0.000 0.404 742 P HA -0.022 nan 4.420 nan 0.000 0.267 742 P C -0.560 176.541 177.300 -0.332 0.000 1.200 742 P CA 0.160 62.972 63.100 -0.479 0.000 0.772 742 P CB 0.747 32.126 31.700 -0.535 0.000 0.855 743 K N 2.452 122.635 120.400 -0.362 0.000 2.259 743 K HA 0.546 4.857 4.320 -0.015 0.000 0.249 743 K C -0.203 176.374 176.600 -0.039 0.000 0.942 743 K CA -0.834 55.397 56.287 -0.093 0.000 0.816 743 K CB 2.243 34.778 32.500 0.057 0.000 1.155 743 K HN 0.314 nan 8.250 nan 0.000 0.428 744 R N 2.318 122.780 120.500 -0.063 0.000 2.561 744 R HA 0.483 4.814 4.340 -0.015 0.000 0.297 744 R C -0.963 175.206 176.300 -0.218 0.000 0.969 744 R CA -0.814 55.195 56.100 -0.152 0.000 0.879 744 R CB 1.279 31.380 30.300 -0.332 0.000 1.178 744 R HN 0.526 nan 8.270 nan 0.000 0.445 745 I N 4.334 124.757 120.570 -0.244 0.000 2.465 745 I HA 0.382 4.543 4.170 -0.015 0.000 0.291 745 I C -0.261 175.701 176.117 -0.259 0.000 1.014 745 I CA -0.858 60.291 61.300 -0.253 0.000 1.093 745 I CB 1.294 39.012 38.000 -0.470 0.000 1.267 745 I HN 0.410 nan 8.210 nan 0.000 0.431 746 F N 3.524 123.514 119.950 0.066 0.000 2.397 746 F HA 0.539 5.059 4.527 -0.011 0.000 0.331 746 F C 0.793 176.645 175.800 0.087 0.000 1.090 746 F CA -0.331 57.711 58.000 0.071 0.000 1.065 746 F CB 1.791 40.814 39.000 0.038 0.000 1.184 746 F HN 0.477 nan 8.300 nan 0.000 0.499 747 S N 2.239 118.061 115.700 0.204 0.000 2.549 747 S HA 0.772 5.233 4.470 -0.015 0.000 0.280 747 S C -1.480 173.170 174.600 0.085 0.000 1.109 747 S CA -0.729 57.455 58.200 -0.027 0.000 0.905 747 S CB 2.009 65.064 63.200 -0.242 0.000 1.081 747 S HN 0.541 nan 8.310 nan 0.000 0.477 748 F N 1.931 121.810 119.950 -0.118 0.000 2.547 748 F HA 0.751 5.271 4.527 -0.011 0.000 0.316 748 F C -1.974 173.808 175.800 -0.031 0.000 1.121 748 F CA -1.186 56.787 58.000 -0.045 0.000 0.911 748 F CB 1.061 40.035 39.000 -0.044 0.000 1.179 748 F HN 0.557 nan 8.300 nan 0.000 0.443 749 I N 5.090 125.161 120.570 -0.832 0.000 2.321 749 I HA 0.240 4.401 4.170 -0.015 0.000 0.291 749 I C -0.718 174.782 176.117 -1.027 0.000 0.998 749 I CA -0.184 60.703 61.300 -0.687 0.000 1.227 749 I CB 1.179 39.008 38.000 -0.285 0.000 1.368 749 I HN 0.459 nan 8.210 nan 0.000 0.466 750 D N 4.888 124.914 120.400 -0.624 0.000 2.477 750 D HA 0.152 4.783 4.640 -0.015 0.000 0.239 750 D C -0.149 176.020 176.300 -0.218 0.000 1.102 750 D CA -0.195 53.607 54.000 -0.330 0.000 0.901 750 D CB 0.548 41.361 40.800 0.021 0.000 1.026 750 D HN 0.327 nan 8.370 nan 0.000 0.515 751 D N 2.613 122.905 120.400 -0.179 0.000 2.561 751 D HA 0.076 4.706 4.640 -0.015 0.000 0.232 751 D C -0.563 175.692 176.300 -0.074 0.000 1.198 751 D CA -0.031 53.894 54.000 -0.125 0.000 0.826 751 D CB 0.080 40.870 40.800 -0.017 0.000 0.992 751 D HN 0.401 nan 8.370 nan 0.000 0.490 752 Q N -0.249 119.502 119.800 -0.081 0.000 2.400 752 Q HA 0.608 4.938 4.340 -0.015 0.000 0.255 752 Q C 0.273 176.221 176.000 -0.087 0.000 1.008 752 Q CA -0.549 55.224 55.803 -0.049 0.000 0.841 752 Q CB 1.847 30.575 28.738 -0.017 0.000 1.220 752 Q HN 0.239 nan 8.270 nan 0.000 0.474 753 G N 0.795 109.552 108.800 -0.071 0.000 2.278 753 G HA2 -0.157 3.794 3.960 -0.015 0.000 0.265 753 G HA3 -0.157 3.794 3.960 -0.015 0.000 0.265 753 G C -0.508 174.360 174.900 -0.053 0.000 1.329 753 G CA -0.573 44.476 45.100 -0.086 0.000 1.017 753 G HN 0.567 nan 8.290 nan 0.000 0.472 754 F N 1.193 121.142 119.950 -0.001 0.000 2.804 754 F HA 0.587 5.105 4.527 -0.015 0.000 0.303 754 F C 0.939 176.733 175.800 -0.011 0.000 1.154 754 F CA 0.191 58.191 58.000 -0.001 0.000 1.401 754 F CB -0.196 38.806 39.000 0.002 0.000 1.106 754 F HN 0.909 nan 8.300 nan 0.000 0.568 755 S N -1.132 114.379 115.700 -0.314 0.000 2.537 755 S HA 0.363 4.824 4.470 -0.015 0.000 0.271 755 S C -0.704 173.736 174.600 -0.265 0.000 1.148 755 S CA -0.667 57.378 58.200 -0.259 0.000 0.868 755 S CB 1.291 64.288 63.200 -0.339 0.000 1.115 755 S HN 0.204 nan 8.310 nan 0.000 0.461 756 T N 1.770 116.176 114.554 -0.247 0.000 2.727 756 T HA 0.394 4.735 4.350 -0.015 0.000 0.298 756 T C -1.154 173.334 174.700 -0.355 0.000 0.942 756 T CA -0.265 61.629 62.100 -0.343 0.000 0.997 756 T CB -0.514 68.021 68.868 -0.554 0.000 0.917 756 T HN 0.567 nan 8.240 nan 0.000 0.487 757 D N 5.100 125.298 120.400 -0.337 0.000 2.232 757 D HA 0.415 5.046 4.640 -0.015 0.000 0.242 757 D C 0.002 176.052 176.300 -0.416 0.000 1.093 757 D CA -0.161 53.607 54.000 -0.387 0.000 0.845 757 D CB 1.372 41.967 40.800 -0.341 0.000 1.124 757 D HN 0.590 nan 8.370 nan 0.000 0.467 758 I N 2.446 122.723 120.570 -0.488 0.000 2.418 758 I HA 0.224 4.385 4.170 -0.015 0.000 0.287 758 I C -0.882 174.883 176.117 -0.588 0.000 1.008 758 I CA -0.945 60.070 61.300 -0.474 0.000 1.104 758 I CB 1.072 38.824 38.000 -0.414 0.000 1.264 758 I HN 0.146 nan 8.210 nan 0.000 0.438 759 Y N 5.876 125.957 120.300 -0.365 0.000 2.353 759 Y HA 0.483 5.025 4.550 -0.013 0.000 0.340 759 Y C -0.374 175.374 175.900 -0.255 0.000 0.972 759 Y CA -0.459 57.529 58.100 -0.186 0.000 1.157 759 Y CB 0.852 39.326 38.460 0.024 0.000 1.157 759 Y HN 0.318 nan 8.280 nan 0.000 0.495 760 F N 1.723 121.808 119.950 0.225 0.000 2.450 760 F HA 0.679 5.196 4.527 -0.016 0.000 0.332 760 F C 0.141 176.088 175.800 0.246 0.000 1.093 760 F CA -0.670 57.480 58.000 0.250 0.000 1.003 760 F CB 1.938 41.142 39.000 0.341 0.000 1.151 760 F HN 0.386 nan 8.300 nan 0.000 0.474 761 S N 0.173 116.104 115.700 0.385 0.000 2.541 761 S HA 0.613 5.074 4.470 -0.015 0.000 0.271 761 S C -1.433 173.331 174.600 0.273 0.000 1.133 761 S CA -1.080 57.295 58.200 0.291 0.000 0.876 761 S CB 2.133 65.456 63.200 0.204 0.000 1.105 761 S HN 0.566 nan 8.310 nan 0.000 0.470 762 D N 0.270 120.797 120.400 0.212 0.000 2.539 762 D HA 0.361 4.991 4.640 -0.015 0.000 0.276 762 D C 1.586 178.006 176.300 0.200 0.000 1.206 762 D CA -0.408 53.701 54.000 0.182 0.000 1.081 762 D CB -0.046 40.828 40.800 0.124 0.000 1.142 762 D HN 0.785 nan 8.370 nan 0.000 0.595 763 V N -3.132 116.885 119.914 0.172 0.000 3.380 763 V HA 0.063 4.173 4.120 -0.015 0.000 0.268 763 V C 0.289 176.427 176.094 0.072 0.000 1.168 763 V CA 1.076 63.462 62.300 0.142 0.000 1.156 763 V CB -0.669 31.235 31.823 0.136 0.000 0.785 763 V HN 0.373 nan 8.190 nan 0.000 0.487 764 D N 0.192 120.634 120.400 0.070 0.000 2.368 764 D HA 0.120 4.751 4.640 -0.015 0.000 0.218 764 D C 0.701 177.027 176.300 0.043 0.000 1.112 764 D CA 0.474 54.502 54.000 0.046 0.000 0.834 764 D CB 0.100 40.926 40.800 0.044 0.000 0.953 764 D HN 0.487 nan 8.370 nan 0.000 0.505 765 D N 1.824 122.257 120.400 0.054 0.000 2.751 765 D HA -0.229 4.401 4.640 -0.015 0.000 0.233 765 D C -0.020 176.320 176.300 0.067 0.000 1.149 765 D CA 0.622 54.652 54.000 0.050 0.000 0.682 765 D CB -0.990 39.817 40.800 0.011 0.000 1.068 765 D HN 0.411 nan 8.370 nan 0.000 0.429 766 E N 0.328 120.581 120.200 0.088 0.000 2.229 766 E HA 0.356 4.696 4.350 -0.015 0.000 0.283 766 E C 0.060 176.750 176.600 0.151 0.000 1.030 766 E CA -0.400 56.058 56.400 0.096 0.000 0.836 766 E CB 0.613 30.361 29.700 0.080 0.000 1.068 766 E HN 0.194 nan 8.360 nan 0.000 0.401 767 R N 3.108 123.701 120.500 0.155 0.000 2.832 767 R HA 0.555 4.886 4.340 -0.015 0.000 0.271 767 R C -1.264 175.202 176.300 0.277 0.000 0.996 767 R CA -0.874 55.357 56.100 0.219 0.000 0.977 767 R CB 1.491 31.893 30.300 0.170 0.000 1.168 767 R HN 0.454 nan 8.270 nan 0.000 0.482 768 F N 1.187 121.231 119.950 0.157 0.000 2.574 768 F HA 0.375 4.892 4.527 -0.016 0.000 0.313 768 F C -1.205 174.663 175.800 0.113 0.000 1.130 768 F CA -0.848 57.191 58.000 0.065 0.000 0.936 768 F CB 1.649 40.636 39.000 -0.021 0.000 1.219 768 F HN 0.246 nan 8.300 nan 0.000 0.445 769 K N 7.051 126.974 120.400 -0.795 0.000 2.265 769 K HA 0.556 4.866 4.320 -0.015 0.000 0.267 769 K C -1.904 173.978 176.600 -1.196 0.000 0.994 769 K CA -0.822 54.970 56.287 -0.826 0.000 0.860 769 K CB 1.364 33.519 32.500 -0.575 0.000 1.099 769 K HN 0.773 nan 8.250 nan 0.000 0.448 770 L N 3.256 123.964 121.223 -0.859 0.000 2.275 770 L HA 0.352 4.682 4.340 -0.015 0.000 0.288 770 L C -0.844 175.778 176.870 -0.414 0.000 1.046 770 L CA 0.315 54.814 54.840 -0.570 0.000 0.805 770 L CB 1.678 43.633 42.059 -0.173 0.000 1.193 770 L HN 0.563 nan 8.230 nan 0.000 0.426 771 S N 6.004 121.526 115.700 -0.297 0.000 2.640 771 S HA 0.634 5.094 4.470 -0.015 0.000 0.320 771 S C -0.927 173.601 174.600 -0.121 0.000 1.097 771 S CA -0.612 57.450 58.200 -0.230 0.000 1.092 771 S CB 0.219 63.297 63.200 -0.203 0.000 0.988 771 S HN 0.582 nan 8.310 nan 0.000 0.470 772 L N 6.445 127.589 121.223 -0.131 0.000 2.294 772 L HA 0.470 4.800 4.340 -0.015 0.000 0.283 772 L C -2.408 174.435 176.870 -0.047 0.000 1.015 772 L CA -2.278 52.528 54.840 -0.058 0.000 0.831 772 L CB 1.567 43.589 42.059 -0.062 0.000 1.217 772 L HN 0.401 nan 8.230 nan 0.000 0.420 773 P HA 0.143 nan 4.420 nan 0.000 0.268 773 P C -0.560 176.776 177.300 0.060 0.000 1.204 773 P CA -0.085 63.054 63.100 0.064 0.000 0.768 773 P CB 0.775 32.541 31.700 0.110 0.000 0.842 774 K N 0.000 120.443 120.400 0.071 0.000 2.780 774 K HA 0.000 4.311 4.320 -0.015 0.000 0.191 774 K CA 0.000 56.329 56.287 0.071 0.000 0.838 774 K CB 0.000 32.535 32.500 0.058 0.000 1.064 774 K HN 0.000 nan 8.250 nan 0.000 0.543