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 1rky_1_A DATA FIRST_RESID 43 DATA SEQUENCE AEcVSNENVE IEAPKTNIWT SLAKEEVQEV LDLLHSTYNI TEVTKADFFS DATA SEQUENCE NYVLWIETLK PNKTEALTYL DEDGDLPPRN ARTVVYFGEG EEGYFEELKV DATA SEQUENCE GPLPVSDETT IEPLSFYNTN GKSKLPFEVG HLDRIKSAAK SSFLNKNLNT DATA SEQUENCE TIMRDVLEGL IGVPYEDMGc HSAAPQLHDP ATGATVDYGT cNINTENDAE DATA SEQUENCE NLVPTGFFFK FDMTGRDVSQ WKMLEYIYNN KVYTSAEELY EAMQKDDFVT DATA SEQUENCE LPKIDVDNLD WTVIQRNDSA PVRHLDDRKS PRLVEPEGRR WAYDGDEEYF DATA SEQUENCE SWMDWGFYTS WSRDTGISFY DITFKGERIV YELSLQELIA EYGSDDPFNQ DATA SEQUENCE HTFYSDISYG VGNRFSLVPG YDcPSTAGYF TTDTFEYDEF YNRTLSYcVF DATA SEQUENCE ENQEDYSLLR HTGASYSAIT QNPTLNVRFI STIGNXDYNF LYKFFLDGTL DATA SEQUENCE EVSVRAAGYI QAGYWNPETS APYGLKIHDV LSGSFHDHVL NYKVDLDVGG DATA SEQUENCE TKNRASQYVM KDVDVEYPWA PGTVYNTKQI AREVFENEDF NGINWPENGQ DATA SEQUENCE GILLIESAEE TNSFGNPRAY NIMPGGGGVH RIVKNSRSGP ETQNWARSNL DATA SEQUENCE FLTKHKDTEL RSSTALNTNA LYDPPVNFNA FLDDESLDGE DIVAWVNLGL DATA SEQUENCE HHLPNSNDLP NTIFSTAHAS FMLTPFNYFD SENSRDTTQQ VFYTYDDETE DATA SEQUENCE ESNWEFYGND WSScGVEVAE PNFEDYTYGR GTRIN 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 43 A HA 0.000 nan 4.320 nan 0.000 0.244 43 A C 0.000 177.575 177.584 -0.016 0.000 1.274 43 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 43 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 44 E N 0.829 121.020 120.200 -0.015 0.000 2.373 44 E HA 0.310 4.659 4.350 -0.001 0.000 0.267 44 E C -0.056 176.529 176.600 -0.025 0.000 1.032 44 E CA -0.219 56.169 56.400 -0.019 0.000 0.889 44 E CB 0.702 30.393 29.700 -0.016 0.000 0.984 44 E HN 0.671 nan 8.360 nan 0.000 0.425 45 c N 2.251 120.833 118.600 -0.031 0.000 2.679 45 c HA 0.010 4.580 4.570 -0.001 0.000 0.417 45 c C 0.622 174.691 174.090 -0.035 0.000 1.302 45 c CA -0.808 55.496 56.329 -0.041 0.000 1.973 45 c CB -0.311 42.169 42.510 -0.051 0.000 2.715 45 c HN 0.450 nan 8.230 nan 0.000 0.628 46 V N 4.676 124.567 119.914 -0.038 0.000 2.425 46 V HA 0.142 4.262 4.120 -0.001 0.000 0.276 46 V C 0.824 176.899 176.094 -0.031 0.000 1.017 46 V CA 0.361 62.642 62.300 -0.031 0.000 1.062 46 V CB -0.042 31.764 31.823 -0.030 0.000 0.997 46 V HN 1.059 nan 8.190 nan 0.000 0.476 47 S N 5.724 121.409 115.700 -0.026 0.000 2.584 47 S HA 0.446 4.915 4.470 -0.001 0.000 0.273 47 S C -0.293 174.293 174.600 -0.024 0.000 1.311 47 S CA -0.814 57.371 58.200 -0.025 0.000 1.034 47 S CB 0.951 64.138 63.200 -0.022 0.000 0.939 47 S HN 0.729 nan 8.310 nan 0.000 0.513 48 N N 1.417 120.101 118.700 -0.027 0.000 2.235 48 N HA 0.294 5.034 4.740 -0.001 0.000 0.293 48 N C -1.181 174.308 175.510 -0.035 0.000 1.083 48 N CA -0.644 52.389 53.050 -0.028 0.000 0.801 48 N CB 1.848 40.318 38.487 -0.027 0.000 1.559 48 N HN 0.665 nan 8.380 nan 0.000 0.472 49 E N 0.866 121.046 120.200 -0.034 0.000 2.373 49 E HA 0.175 4.524 4.350 -0.001 0.000 0.263 49 E C -0.160 176.406 176.600 -0.056 0.000 1.073 49 E CA -0.287 56.090 56.400 -0.039 0.000 0.894 49 E CB 0.735 30.416 29.700 -0.031 0.000 1.008 49 E HN 0.325 nan 8.360 nan 0.000 0.420 50 N N 0.478 119.139 118.700 -0.065 0.000 2.458 50 N HA 0.023 4.763 4.740 -0.001 0.000 0.258 50 N C -0.493 174.971 175.510 -0.077 0.000 1.219 50 N CA 0.069 53.061 53.050 -0.097 0.000 0.902 50 N CB 0.533 38.977 38.487 -0.072 0.000 1.076 50 N HN 0.092 nan 8.380 nan 0.000 0.455 51 V N 2.073 121.931 119.914 -0.093 0.000 2.427 51 V HA 0.244 4.364 4.120 -0.001 0.000 0.286 51 V C 0.453 176.473 176.094 -0.124 0.000 1.034 51 V CA -0.545 61.707 62.300 -0.080 0.000 0.893 51 V CB 1.161 32.956 31.823 -0.047 0.000 0.982 51 V HN 0.542 nan 8.190 nan 0.000 0.452 52 E N 4.358 124.454 120.200 -0.174 0.000 2.195 52 E HA 0.705 5.055 4.350 -0.001 0.000 0.271 52 E C -0.787 175.716 176.600 -0.162 0.000 0.923 52 E CA -0.599 55.624 56.400 -0.295 0.000 0.790 52 E CB 2.596 32.080 29.700 -0.360 0.000 1.155 52 E HN 0.709 nan 8.360 nan 0.000 0.402 53 I N -1.916 118.568 120.570 -0.144 0.000 3.108 53 I HA 0.541 4.711 4.170 -0.001 0.000 0.312 53 I C -0.536 175.549 176.117 -0.053 0.000 1.095 53 I CA -1.016 60.250 61.300 -0.056 0.000 1.000 53 I CB 2.013 40.025 38.000 0.021 0.000 1.229 53 I HN 0.368 nan 8.210 nan 0.000 0.454 54 E N 2.173 122.350 120.200 -0.038 0.000 2.134 54 E HA 0.581 4.931 4.350 -0.001 0.000 0.278 54 E C -0.502 176.034 176.600 -0.107 0.000 0.959 54 E CA -0.876 55.494 56.400 -0.050 0.000 0.783 54 E CB 1.689 31.364 29.700 -0.041 0.000 1.095 54 E HN 0.835 nan 8.360 nan 0.000 0.399 55 A N 5.768 128.496 122.820 -0.154 0.000 2.498 55 A HA 0.151 4.470 4.320 -0.001 0.000 0.239 55 A C -1.460 175.937 177.584 -0.313 0.000 1.068 55 A CA -0.959 50.794 52.037 -0.473 0.000 0.766 55 A CB -0.003 18.854 19.000 -0.237 0.000 1.003 55 A HN 0.678 nan 8.150 nan 0.000 0.497 56 P HA -0.069 nan 4.420 nan 0.000 0.218 56 P C 0.193 177.466 177.300 -0.045 0.000 1.148 56 P CA 1.471 64.479 63.100 -0.154 0.000 0.822 56 P CB 0.200 31.830 31.700 -0.117 0.000 0.784 57 K N -1.856 118.581 120.400 0.062 0.000 2.469 57 K HA 0.380 4.699 4.320 -0.001 0.000 0.268 57 K C -0.267 176.457 176.600 0.207 0.000 1.027 57 K CA -0.566 55.785 56.287 0.107 0.000 0.893 57 K CB 0.766 33.279 32.500 0.021 0.000 1.460 57 K HN -0.294 nan 8.250 nan 0.000 0.449 58 T N 1.841 116.532 114.554 0.228 0.000 2.907 58 T HA 0.062 4.412 4.350 -0.001 0.000 0.298 58 T C 0.425 175.092 174.700 -0.055 0.000 1.017 58 T CA -0.177 61.988 62.100 0.108 0.000 1.118 58 T CB 0.166 69.047 68.868 0.021 0.000 0.948 58 T HN 0.295 nan 8.240 nan 0.000 0.531 59 N N 3.050 121.752 118.700 0.003 0.000 2.466 59 N HA 0.034 4.774 4.740 -0.001 0.000 0.263 59 N C 1.139 176.514 175.510 -0.225 0.000 1.178 59 N CA -0.518 52.496 53.050 -0.060 0.000 0.983 59 N CB -0.212 38.457 38.487 0.304 0.000 1.331 59 N HN 0.659 nan 8.380 nan 0.000 0.500 60 I N -0.800 119.356 120.570 -0.690 0.000 3.444 60 I HA 0.138 4.308 4.170 -0.001 0.000 0.287 60 I C 0.513 176.193 176.117 -0.727 0.000 1.302 60 I CA 0.096 60.925 61.300 -0.785 0.000 1.368 60 I CB -0.042 37.335 38.000 -1.038 0.000 1.048 60 I HN 0.273 nan 8.210 nan 0.000 0.487 61 W N 1.329 122.485 121.300 -0.240 0.000 3.220 61 W HA 0.299 4.960 4.660 0.000 0.000 0.328 61 W C 1.094 177.547 176.519 -0.112 0.000 1.205 61 W CA -0.504 56.667 57.345 -0.290 0.000 1.773 61 W CB -0.395 28.667 29.460 -0.663 0.000 1.086 61 W HN -0.021 nan 8.180 nan 0.000 0.622 62 T N 2.171 116.806 114.554 0.135 0.000 2.898 62 T HA 0.149 4.499 4.350 -0.001 0.000 0.301 62 T C 0.971 175.754 174.700 0.139 0.000 1.049 62 T CA 0.140 62.342 62.100 0.171 0.000 1.095 62 T CB 0.920 69.892 68.868 0.173 0.000 0.976 62 T HN 0.059 nan 8.240 nan 0.000 0.539 63 S N 4.013 119.818 115.700 0.175 0.000 2.580 63 S HA 0.245 4.715 4.470 -0.001 0.000 0.266 63 S C 0.322 175.024 174.600 0.170 0.000 1.354 63 S CA -0.794 57.509 58.200 0.173 0.000 1.008 63 S CB -0.065 63.260 63.200 0.209 0.000 0.898 63 S HN 0.629 nan 8.310 nan 0.000 0.555 64 L N 1.826 123.155 121.223 0.176 0.000 2.456 64 L HA 0.359 4.699 4.340 -0.001 0.000 0.272 64 L C 1.075 178.092 176.870 0.245 0.000 1.189 64 L CA -0.405 54.539 54.840 0.173 0.000 0.846 64 L CB -0.031 42.124 42.059 0.160 0.000 1.111 64 L HN 0.949 nan 8.230 nan 0.000 0.475 65 A N 3.164 126.084 122.820 0.168 0.000 2.366 65 A HA 0.108 4.427 4.320 -0.001 0.000 0.249 65 A C 1.285 178.915 177.584 0.077 0.000 1.084 65 A CA -0.247 51.876 52.037 0.142 0.000 0.794 65 A CB 0.304 19.343 19.000 0.065 0.000 1.034 65 A HN 0.931 nan 8.150 nan 0.000 0.491 66 K N -0.027 120.270 120.400 -0.171 0.000 2.113 66 K HA -0.229 4.090 4.320 -0.001 0.000 0.208 66 K C 1.407 177.874 176.600 -0.221 0.000 1.047 66 K CA 2.343 58.291 56.287 -0.566 0.000 0.928 66 K CB -0.087 31.865 32.500 -0.915 0.000 0.716 66 K HN 0.777 nan 8.250 nan 0.000 0.446 67 E N 0.483 120.608 120.200 -0.124 0.000 2.106 67 E HA -0.132 4.218 4.350 -0.001 0.000 0.192 67 E C 1.720 178.300 176.600 -0.033 0.000 0.984 67 E CA 1.228 57.587 56.400 -0.068 0.000 0.806 67 E CB 0.076 29.749 29.700 -0.045 0.000 0.750 67 E HN 0.387 nan 8.360 nan 0.000 0.458 68 E N -0.067 120.128 120.200 -0.009 0.000 2.072 68 E HA -0.117 4.232 4.350 -0.001 0.000 0.191 68 E C 2.032 178.633 176.600 0.001 0.000 0.985 68 E CA 1.040 57.445 56.400 0.009 0.000 0.801 68 E CB 0.056 29.776 29.700 0.034 0.000 0.750 68 E HN 0.064 nan 8.360 nan 0.000 0.452 69 V N 1.225 121.143 119.914 0.006 0.000 2.343 69 V HA -0.275 3.844 4.120 -0.001 0.000 0.247 69 V C 2.420 178.455 176.094 -0.098 0.000 1.051 69 V CA 1.908 64.175 62.300 -0.056 0.000 1.036 69 V CB -0.454 31.376 31.823 0.012 0.000 0.654 69 V HN 0.196 nan 8.190 nan 0.000 0.451 70 Q N 0.548 120.315 119.800 -0.055 0.000 2.061 70 Q HA -0.223 4.116 4.340 -0.001 0.000 0.204 70 Q C 2.125 178.116 176.000 -0.016 0.000 0.984 70 Q CA 2.079 57.862 55.803 -0.033 0.000 0.846 70 Q CB -0.331 28.388 28.738 -0.032 0.000 0.902 70 Q HN 0.700 nan 8.270 nan 0.000 0.421 71 E N -1.047 119.145 120.200 -0.013 0.000 2.110 71 E HA -0.142 4.208 4.350 -0.001 0.000 0.193 71 E C 1.951 178.559 176.600 0.013 0.000 0.988 71 E CA 1.317 57.718 56.400 0.002 0.000 0.804 71 E CB 0.045 29.746 29.700 0.001 0.000 0.745 71 E HN 0.208 nan 8.360 nan 0.000 0.458 72 V N 1.272 121.187 119.914 0.003 0.000 2.358 72 V HA -0.222 3.898 4.120 -0.001 0.000 0.246 72 V C 2.252 178.369 176.094 0.039 0.000 1.047 72 V CA 1.191 63.502 62.300 0.018 0.000 1.035 72 V CB -0.317 31.507 31.823 0.002 0.000 0.658 72 V HN 0.217 nan 8.190 nan 0.000 0.452 73 L N 0.416 121.647 121.223 0.014 0.000 2.046 73 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 73 L C 2.066 179.059 176.870 0.204 0.000 1.077 73 L CA 1.995 56.895 54.840 0.100 0.000 0.747 73 L CB -0.917 41.181 42.059 0.065 0.000 0.896 73 L HN 0.303 nan 8.230 nan 0.000 0.432 74 D N -0.695 119.773 120.400 0.113 0.000 2.104 74 D HA -0.206 4.433 4.640 -0.001 0.000 0.194 74 D C 2.162 178.531 176.300 0.115 0.000 0.994 74 D CA 1.423 55.483 54.000 0.100 0.000 0.830 74 D CB -0.276 40.548 40.800 0.040 0.000 0.959 74 D HN 0.284 nan 8.370 nan 0.000 0.452 75 L N 0.519 121.791 121.223 0.081 0.000 2.093 75 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 75 L C 2.156 179.064 176.870 0.063 0.000 1.085 75 L CA 1.236 56.109 54.840 0.055 0.000 0.755 75 L CB -0.452 41.630 42.059 0.039 0.000 0.904 75 L HN 0.020 nan 8.230 nan 0.000 0.435 76 L N -1.522 119.774 121.223 0.121 0.000 2.046 76 L HA -0.238 4.101 4.340 -0.001 0.000 0.208 76 L C 2.597 179.556 176.870 0.149 0.000 1.077 76 L CA 1.187 56.130 54.840 0.172 0.000 0.747 76 L CB -0.874 41.303 42.059 0.197 0.000 0.896 76 L HN 0.394 nan 8.230 nan 0.000 0.432 77 H N -0.737 118.399 119.070 0.111 0.000 2.457 77 H HA -0.093 4.463 4.556 -0.001 0.000 0.294 77 H C 2.511 177.879 175.328 0.067 0.000 1.064 77 H CA 1.704 57.815 56.048 0.106 0.000 1.330 77 H CB 0.267 30.083 29.762 0.090 0.000 1.395 77 H HN 0.400 nan 8.280 nan 0.000 0.541 78 S N -0.582 115.202 115.700 0.140 0.000 2.496 78 S HA -0.037 4.433 4.470 -0.001 0.000 0.224 78 S C 1.881 176.467 174.600 -0.024 0.000 0.996 78 S CA 0.889 59.124 58.200 0.058 0.000 0.927 78 S CB 0.047 63.269 63.200 0.037 0.000 0.774 78 S HN 0.176 nan 8.310 nan 0.000 0.524 79 T N 0.291 114.774 114.554 -0.117 0.000 3.031 79 T HA 0.319 4.669 4.350 -0.001 0.000 0.254 79 T C -0.233 174.210 174.700 -0.429 0.000 1.060 79 T CA 0.482 62.364 62.100 -0.365 0.000 1.135 79 T CB -0.120 68.366 68.868 -0.638 0.000 0.896 79 T HN 0.517 nan 8.240 nan 0.000 0.472 80 Y N 0.423 120.774 120.300 0.085 0.000 2.633 80 Y HA 0.439 4.989 4.550 -0.000 0.000 0.339 80 Y C 0.069 176.009 175.900 0.067 0.000 1.045 80 Y CA -1.614 56.546 58.100 0.101 0.000 1.098 80 Y CB 1.020 39.589 38.460 0.182 0.000 1.296 80 Y HN -0.219 nan 8.280 nan 0.000 0.494 81 N N 2.436 121.288 118.700 0.252 0.000 2.508 81 N HA 0.174 4.914 4.740 -0.001 0.000 0.253 81 N C -1.129 174.443 175.510 0.104 0.000 1.145 81 N CA 0.238 53.380 53.050 0.153 0.000 0.973 81 N CB 0.251 38.817 38.487 0.131 0.000 1.305 81 N HN 0.377 nan 8.380 nan 0.000 0.506 82 I N 1.940 122.525 120.570 0.024 0.000 2.331 82 I HA 0.166 4.335 4.170 -0.001 0.000 0.292 82 I C 0.829 176.961 176.117 0.025 0.000 0.998 82 I CA -0.270 60.967 61.300 -0.105 0.000 1.267 82 I CB 1.002 38.685 38.000 -0.528 0.000 1.386 82 I HN 0.090 nan 8.210 nan 0.000 0.476 83 T N 6.055 120.665 114.554 0.094 0.000 2.845 83 T HA 0.227 4.577 4.350 -0.001 0.000 0.288 83 T C 0.270 175.075 174.700 0.175 0.000 0.980 83 T CA -0.617 61.571 62.100 0.147 0.000 1.071 83 T CB 0.857 69.811 68.868 0.143 0.000 0.941 83 T HN 0.415 nan 8.240 nan 0.000 0.487 84 E N 1.441 121.746 120.200 0.176 0.000 2.442 84 E HA 0.011 4.361 4.350 -0.001 0.000 0.262 84 E C 1.009 177.652 176.600 0.072 0.000 1.004 84 E CA -0.350 56.145 56.400 0.158 0.000 0.928 84 E CB 0.674 30.448 29.700 0.124 0.000 0.937 84 E HN 0.302 nan 8.360 nan 0.000 0.446 85 V N 2.917 122.865 119.914 0.057 0.000 2.392 85 V HA -0.280 3.839 4.120 -0.001 0.000 0.249 85 V C 2.333 178.344 176.094 -0.138 0.000 1.059 85 V CA 2.403 64.643 62.300 -0.100 0.000 1.051 85 V CB -0.858 30.955 31.823 -0.017 0.000 0.658 85 V HN 0.889 nan 8.190 nan 0.000 0.455 86 T N -2.010 112.509 114.554 -0.059 0.000 3.007 86 T HA -0.138 4.212 4.350 -0.001 0.000 0.270 86 T C 1.399 176.065 174.700 -0.057 0.000 1.107 86 T CA 1.038 63.100 62.100 -0.063 0.000 1.118 86 T CB -0.230 68.623 68.868 -0.026 0.000 0.889 86 T HN 0.520 nan 8.240 nan 0.000 0.506 87 K N 0.713 121.090 120.400 -0.040 0.000 2.358 87 K HA 0.553 4.873 4.320 -0.001 0.000 0.200 87 K C 0.566 177.146 176.600 -0.033 0.000 1.030 87 K CA -0.236 56.037 56.287 -0.023 0.000 1.097 87 K CB 0.788 33.297 32.500 0.015 0.000 0.862 87 K HN 0.384 nan 8.250 nan 0.000 0.534 88 A N 2.194 124.959 122.820 -0.092 0.000 2.293 88 A HA 0.397 4.716 4.320 -0.001 0.000 0.302 88 A C -0.502 177.010 177.584 -0.120 0.000 1.119 88 A CA -0.511 51.474 52.037 -0.087 0.000 0.823 88 A CB 0.543 19.400 19.000 -0.239 0.000 1.097 88 A HN 0.248 nan 8.150 nan 0.000 0.491 89 D N -1.060 119.334 120.400 -0.010 0.000 2.837 89 D HA 0.332 4.972 4.640 -0.001 0.000 0.294 89 D C 0.069 176.419 176.300 0.083 0.000 1.158 89 D CA -0.568 53.382 54.000 -0.084 0.000 1.073 89 D CB -0.111 40.654 40.800 -0.058 0.000 1.419 89 D HN 0.278 nan 8.370 nan 0.000 0.584 90 F N -1.314 118.610 119.950 -0.044 0.000 2.546 90 F HA 0.099 4.626 4.527 -0.001 0.000 0.298 90 F C 0.971 176.520 175.800 -0.418 0.000 1.120 90 F CA 0.221 58.048 58.000 -0.289 0.000 1.456 90 F CB -0.110 38.522 39.000 -0.614 0.000 1.088 90 F HN 0.074 nan 8.300 nan 0.000 0.572 91 F N -0.894 119.210 119.950 0.257 0.000 2.678 91 F HA 0.157 4.684 4.527 -0.001 0.000 0.305 91 F C 1.030 176.913 175.800 0.140 0.000 1.090 91 F CA -0.304 57.787 58.000 0.152 0.000 1.272 91 F CB -0.236 38.807 39.000 0.071 0.000 1.060 91 F HN -0.316 nan 8.300 nan 0.000 0.576 92 S N 0.136 116.030 115.700 0.323 0.000 2.669 92 S HA 0.319 4.789 4.470 -0.001 0.000 0.270 92 S C -0.107 174.620 174.600 0.211 0.000 1.225 92 S CA -0.777 57.580 58.200 0.262 0.000 0.991 92 S CB 0.627 63.999 63.200 0.286 0.000 0.987 92 S HN 0.065 nan 8.310 nan 0.000 0.552 93 N N 1.294 120.051 118.700 0.095 0.000 2.399 93 N HA 0.564 5.304 4.740 -0.001 0.000 0.295 93 N C -1.142 174.370 175.510 0.004 0.000 1.048 93 N CA -0.390 52.575 53.050 -0.141 0.000 0.886 93 N CB 1.179 39.539 38.487 -0.211 0.000 1.185 93 N HN 0.729 nan 8.380 nan 0.000 0.487 94 Y N -2.522 117.690 120.300 -0.147 0.000 2.609 94 Y HA 0.598 5.148 4.550 -0.000 0.000 0.336 94 Y C -0.998 174.838 175.900 -0.107 0.000 1.129 94 Y CA -1.351 56.704 58.100 -0.075 0.000 1.040 94 Y CB 0.535 39.019 38.460 0.040 0.000 1.310 94 Y HN 0.078 nan 8.280 nan 0.000 0.460 95 V N 3.297 123.305 119.914 0.157 0.000 2.465 95 V HA 0.162 4.281 4.120 -0.001 0.000 0.279 95 V C 0.224 176.407 176.094 0.149 0.000 1.045 95 V CA -0.176 62.187 62.300 0.106 0.000 0.938 95 V CB 1.021 32.968 31.823 0.207 0.000 0.986 95 V HN 0.874 nan 8.190 nan 0.000 0.467 96 L N 3.854 125.030 121.223 -0.077 0.000 2.265 96 L HA 0.341 4.680 4.340 -0.001 0.000 0.195 96 L C 0.059 176.685 176.870 -0.406 0.000 1.083 96 L CA 1.221 55.740 54.840 -0.534 0.000 0.798 96 L CB 0.078 41.512 42.059 -1.042 0.000 0.989 96 L HN 0.496 nan 8.230 nan 0.000 0.472 97 W N -0.304 121.056 121.300 0.100 0.000 2.936 97 W HA 0.648 5.308 4.660 -0.001 0.000 0.338 97 W C -1.062 175.600 176.519 0.238 0.000 1.121 97 W CA -1.175 56.276 57.345 0.176 0.000 1.209 97 W CB 1.318 30.793 29.460 0.024 0.000 1.420 97 W HN -0.280 nan 8.180 nan 0.000 0.516 98 I N 2.457 123.346 120.570 0.531 0.000 2.534 98 I HA 0.234 4.403 4.170 -0.001 0.000 0.286 98 I C -0.350 175.894 176.117 0.213 0.000 1.094 98 I CA -0.565 60.873 61.300 0.230 0.000 1.055 98 I CB 2.067 40.021 38.000 -0.076 0.000 1.225 98 I HN 0.448 nan 8.210 nan 0.000 0.435 99 E N 3.034 123.329 120.200 0.158 0.000 2.454 99 E HA 0.479 4.829 4.350 -0.001 0.000 0.279 99 E C -1.236 175.421 176.600 0.095 0.000 1.029 99 E CA -0.926 55.547 56.400 0.122 0.000 0.831 99 E CB 1.450 31.195 29.700 0.074 0.000 1.405 99 E HN 0.226 nan 8.360 nan 0.000 0.463 100 T N 1.409 116.013 114.554 0.083 0.000 2.902 100 T HA 0.137 4.487 4.350 -0.001 0.000 0.301 100 T C -0.239 174.501 174.700 0.067 0.000 1.012 100 T CA -0.217 61.925 62.100 0.071 0.000 1.151 100 T CB 0.090 68.998 68.868 0.066 0.000 0.946 100 T HN 0.347 nan 8.240 nan 0.000 0.542 101 L N 5.467 126.742 121.223 0.086 0.000 2.282 101 L HA 0.320 4.660 4.340 -0.001 0.000 0.287 101 L C 0.318 177.257 176.870 0.115 0.000 1.075 101 L CA -0.129 54.784 54.840 0.121 0.000 0.839 101 L CB -0.208 41.959 42.059 0.180 0.000 1.219 101 L HN 0.456 nan 8.230 nan 0.000 0.434 102 K N 5.537 126.007 120.400 0.116 0.000 2.380 102 K HA 0.202 4.522 4.320 -0.001 0.000 0.267 102 K C -2.123 174.557 176.600 0.133 0.000 0.990 102 K CA -1.362 54.990 56.287 0.108 0.000 0.946 102 K CB -0.037 32.567 32.500 0.172 0.000 0.937 102 K HN 0.455 nan 8.250 nan 0.000 0.491 103 P HA 0.004 nan 4.420 nan 0.000 0.269 103 P C -0.735 176.668 177.300 0.172 0.000 1.215 103 P CA -0.172 62.954 63.100 0.043 0.000 0.780 103 P CB 0.441 32.079 31.700 -0.104 0.000 0.898 104 N N 1.154 119.930 118.700 0.127 0.000 2.482 104 N HA 0.031 4.770 4.740 -0.001 0.000 0.260 104 N C 1.140 176.736 175.510 0.143 0.000 1.236 104 N CA -0.201 52.938 53.050 0.150 0.000 0.938 104 N CB 0.417 38.933 38.487 0.049 0.000 1.128 104 N HN 0.411 nan 8.380 nan 0.000 0.448 105 K N 0.506 120.984 120.400 0.130 0.000 2.026 105 K HA -0.102 4.218 4.320 -0.001 0.000 0.208 105 K C 1.273 177.809 176.600 -0.106 0.000 1.048 105 K CA 1.437 57.672 56.287 -0.087 0.000 0.929 105 K CB -0.051 32.242 32.500 -0.345 0.000 0.713 105 K HN 0.469 nan 8.250 nan 0.000 0.439 106 T N 0.898 115.422 114.554 -0.050 0.000 2.788 106 T HA -0.102 4.248 4.350 -0.001 0.000 0.268 106 T C 1.409 176.109 174.700 -0.001 0.000 1.044 106 T CA 1.634 63.710 62.100 -0.039 0.000 1.139 106 T CB -0.165 68.691 68.868 -0.020 0.000 0.867 106 T HN 0.318 nan 8.240 nan 0.000 0.454 107 E N 1.165 121.373 120.200 0.013 0.000 2.106 107 E HA 0.109 4.459 4.350 -0.001 0.000 0.192 107 E C 2.345 178.981 176.600 0.060 0.000 0.984 107 E CA 0.922 57.336 56.400 0.023 0.000 0.806 107 E CB -0.431 29.267 29.700 -0.004 0.000 0.750 107 E HN 0.473 nan 8.360 nan 0.000 0.458 108 A N 0.557 123.427 122.820 0.085 0.000 1.877 108 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 108 A C 2.151 179.876 177.584 0.235 0.000 1.186 108 A CA 1.108 53.250 52.037 0.174 0.000 0.620 108 A CB -0.637 18.577 19.000 0.357 0.000 0.822 108 A HN 0.204 nan 8.150 nan 0.000 0.443 109 L N -0.829 120.479 121.223 0.142 0.000 2.141 109 L HA -0.127 4.212 4.340 -0.001 0.000 0.209 109 L C 2.725 179.649 176.870 0.091 0.000 1.094 109 L CA 1.596 56.508 54.840 0.119 0.000 0.763 109 L CB -0.822 41.246 42.059 0.015 0.000 0.908 109 L HN 0.345 nan 8.230 nan 0.000 0.437 110 T N -1.124 113.476 114.554 0.077 0.000 2.746 110 T HA -0.246 4.103 4.350 -0.001 0.000 0.267 110 T C 1.688 176.440 174.700 0.086 0.000 1.039 110 T CA 1.416 63.554 62.100 0.064 0.000 1.142 110 T CB -0.339 68.560 68.868 0.053 0.000 0.866 110 T HN 0.305 nan 8.240 nan 0.000 0.444 111 Y N 1.822 122.121 120.300 -0.001 0.000 2.145 111 Y HA -0.072 4.477 4.550 -0.001 0.000 0.286 111 Y C 1.943 177.851 175.900 0.013 0.000 1.145 111 Y CA 1.151 59.241 58.100 -0.016 0.000 1.148 111 Y CB -0.595 37.826 38.460 -0.065 0.000 0.981 111 Y HN 0.136 nan 8.280 nan 0.000 0.507 112 L N -0.495 120.649 121.223 -0.131 0.000 2.109 112 L HA -0.125 4.215 4.340 -0.001 0.000 0.207 112 L C 1.387 178.203 176.870 -0.090 0.000 1.086 112 L CA 1.509 56.258 54.840 -0.152 0.000 0.760 112 L CB -0.281 41.870 42.059 0.153 0.000 0.910 112 L HN 0.172 nan 8.230 nan 0.000 0.437 113 D N -1.439 118.946 120.400 -0.024 0.000 2.473 113 D HA 0.033 4.673 4.640 -0.001 0.000 0.230 113 D C 0.817 177.110 176.300 -0.011 0.000 1.097 113 D CA 0.406 54.408 54.000 0.004 0.000 0.861 113 D CB 0.610 41.435 40.800 0.043 0.000 1.114 113 D HN 0.272 nan 8.370 nan 0.000 0.500 114 E N 1.109 121.299 120.200 -0.017 0.000 2.968 114 E HA 0.068 4.418 4.350 -0.001 0.000 0.202 114 E C -0.833 175.761 176.600 -0.010 0.000 0.979 114 E CA -0.157 56.240 56.400 -0.006 0.000 1.192 114 E CB 0.887 30.592 29.700 0.009 0.000 1.059 114 E HN -0.065 nan 8.360 nan 0.000 0.470 115 D N 0.901 121.277 120.400 -0.039 0.000 2.737 115 D HA -0.157 4.482 4.640 -0.001 0.000 0.233 115 D C 0.467 176.782 176.300 0.025 0.000 1.155 115 D CA 1.378 55.362 54.000 -0.027 0.000 0.667 115 D CB -1.398 39.393 40.800 -0.015 0.000 1.060 115 D HN 0.453 nan 8.370 nan 0.000 0.427 116 G N -0.222 108.613 108.800 0.058 0.000 2.616 116 G HA2 0.303 4.262 3.960 -0.001 0.000 0.268 116 G HA3 0.303 4.262 3.960 -0.001 0.000 0.268 116 G C 0.121 175.126 174.900 0.174 0.000 1.213 116 G CA -0.479 44.681 45.100 0.100 0.000 0.926 116 G HN -0.055 nan 8.290 nan 0.000 0.523 117 D N -0.492 119.969 120.400 0.102 0.000 2.423 117 D HA 0.063 4.702 4.640 -0.001 0.000 0.238 117 D C 0.914 177.212 176.300 -0.003 0.000 1.142 117 D CA 0.128 54.162 54.000 0.056 0.000 0.884 117 D CB 0.753 41.553 40.800 -0.000 0.000 1.199 117 D HN 0.121 nan 8.370 nan 0.000 0.438 118 L N 2.986 124.109 121.223 -0.167 0.000 2.578 118 L HA 0.015 4.355 4.340 -0.001 0.000 0.279 118 L C -1.781 174.904 176.870 -0.308 0.000 1.227 118 L CA -1.068 53.476 54.840 -0.494 0.000 0.900 118 L CB -0.089 41.731 42.059 -0.397 0.000 1.144 118 L HN 0.193 nan 8.230 nan 0.000 0.496 119 P HA 0.068 nan 4.420 nan 0.000 0.269 119 P C -2.341 174.854 177.300 -0.176 0.000 1.215 119 P CA -0.908 62.068 63.100 -0.206 0.000 0.780 119 P CB -0.215 31.355 31.700 -0.216 0.000 0.898 120 P HA 0.030 nan 4.420 nan 0.000 0.265 120 P C -0.306 176.947 177.300 -0.078 0.000 1.187 120 P CA 0.168 63.222 63.100 -0.078 0.000 0.766 120 P CB 0.401 32.075 31.700 -0.043 0.000 0.820 121 R N 3.427 123.887 120.500 -0.067 0.000 2.196 121 R HA 0.311 4.651 4.340 -0.001 0.000 0.340 121 R C -0.425 175.869 176.300 -0.010 0.000 1.043 121 R CA -0.053 56.015 56.100 -0.053 0.000 0.883 121 R CB -0.314 29.952 30.300 -0.058 0.000 1.078 121 R HN 0.398 nan 8.270 nan 0.000 0.462 122 N N 1.874 120.582 118.700 0.013 0.000 2.312 122 N HA 0.579 5.318 4.740 -0.001 0.000 0.296 122 N C -1.419 174.131 175.510 0.067 0.000 1.193 122 N CA -0.683 52.396 53.050 0.049 0.000 0.773 122 N CB 2.209 40.742 38.487 0.077 0.000 1.435 122 N HN 0.593 nan 8.380 nan 0.000 0.484 123 A N 0.647 123.516 122.820 0.082 0.000 2.324 123 A HA 0.553 4.872 4.320 -0.001 0.000 0.330 123 A C -0.076 177.585 177.584 0.127 0.000 1.165 123 A CA -0.675 51.419 52.037 0.096 0.000 0.813 123 A CB 1.009 20.058 19.000 0.082 0.000 1.197 123 A HN 0.654 nan 8.150 nan 0.000 0.484 124 R N 1.300 121.882 120.500 0.137 0.000 2.265 124 R HA 0.548 4.888 4.340 -0.001 0.000 0.319 124 R C -0.793 175.612 176.300 0.175 0.000 1.006 124 R CA 0.067 56.268 56.100 0.167 0.000 0.880 124 R CB 1.079 31.474 30.300 0.158 0.000 1.077 124 R HN 0.699 nan 8.270 nan 0.000 0.454 125 T N 2.644 117.312 114.554 0.190 0.000 2.907 125 T HA 0.503 4.852 4.350 -0.001 0.000 0.292 125 T C -1.304 173.525 174.700 0.215 0.000 1.043 125 T CA -0.549 61.674 62.100 0.205 0.000 1.003 125 T CB 1.438 70.406 68.868 0.166 0.000 1.084 125 T HN 0.304 nan 8.240 nan 0.000 0.483 126 V N 4.316 124.363 119.914 0.222 0.000 2.487 126 V HA 0.668 4.787 4.120 -0.001 0.000 0.298 126 V C -0.541 175.563 176.094 0.016 0.000 1.028 126 V CA -0.653 61.744 62.300 0.161 0.000 0.860 126 V CB 1.602 33.556 31.823 0.219 0.000 0.991 126 V HN 0.769 nan 8.190 nan 0.000 0.427 127 V N 4.479 124.352 119.914 -0.067 0.000 2.656 127 V HA 0.402 4.521 4.120 -0.001 0.000 0.307 127 V C -1.062 174.696 176.094 -0.560 0.000 1.051 127 V CA -0.932 61.138 62.300 -0.383 0.000 0.893 127 V CB 2.072 33.516 31.823 -0.633 0.000 0.999 127 V HN 0.774 nan 8.190 nan 0.000 0.426 128 Y N 4.510 124.251 120.300 -0.932 0.000 2.365 128 Y HA 0.596 5.145 4.550 -0.000 0.000 0.340 128 Y C -0.846 174.330 175.900 -1.207 0.000 1.016 128 Y CA -0.925 56.451 58.100 -1.206 0.000 1.196 128 Y CB 0.793 38.243 38.460 -1.683 0.000 1.167 128 Y HN 0.519 nan 8.280 nan 0.000 0.509 129 F N 4.760 123.784 119.950 -1.542 0.000 2.361 129 F HA 0.411 4.938 4.527 -0.001 0.000 0.364 129 F C 0.920 175.836 175.800 -1.474 0.000 1.117 129 F CA -0.325 56.895 58.000 -1.299 0.000 1.071 129 F CB 1.841 40.092 39.000 -1.248 0.000 1.188 129 F HN 0.781 nan 8.300 nan 0.000 0.464 130 G N 1.626 110.001 108.800 -0.708 0.000 3.228 130 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.245 130 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.245 130 G C 1.030 175.891 174.900 -0.065 0.000 1.051 130 G CA -0.137 44.745 45.100 -0.364 0.000 0.809 130 G HN 0.707 nan 8.290 nan 0.000 0.531 131 E N 0.369 120.539 120.200 -0.051 0.000 2.347 131 E HA 0.142 4.492 4.350 -0.001 0.000 0.196 131 E C 1.360 177.987 176.600 0.045 0.000 1.008 131 E CA 0.394 56.820 56.400 0.044 0.000 0.852 131 E CB 0.090 29.821 29.700 0.052 0.000 0.783 131 E HN 0.200 nan 8.360 nan 0.000 0.505 132 G N 0.770 109.577 108.800 0.011 0.000 2.525 132 G HA2 0.036 3.995 3.960 -0.001 0.000 0.287 132 G HA3 0.036 3.995 3.960 -0.001 0.000 0.287 132 G C 0.263 175.205 174.900 0.071 0.000 1.350 132 G CA -0.439 44.688 45.100 0.045 0.000 1.039 132 G HN 0.098 nan 8.290 nan 0.000 0.513 133 E N -0.366 119.877 120.200 0.070 0.000 2.204 133 E HA -0.034 4.316 4.350 -0.001 0.000 0.194 133 E C -0.003 176.644 176.600 0.078 0.000 0.989 133 E CA 0.817 57.262 56.400 0.076 0.000 0.824 133 E CB 0.198 29.931 29.700 0.056 0.000 0.756 133 E HN 0.311 nan 8.360 nan 0.000 0.477 134 E N -0.139 120.106 120.200 0.076 0.000 2.266 134 E HA 0.376 4.726 4.350 -0.001 0.000 0.268 134 E C -0.324 176.317 176.600 0.069 0.000 0.879 134 E CA -0.465 55.975 56.400 0.067 0.000 0.762 134 E CB 1.856 31.611 29.700 0.093 0.000 1.199 134 E HN 0.060 nan 8.360 nan 0.000 0.422 135 G N 1.499 110.279 108.800 -0.035 0.000 2.448 135 G HA2 0.536 4.496 3.960 -0.001 0.000 0.285 135 G HA3 0.536 4.496 3.960 -0.001 0.000 0.285 135 G C -0.963 173.969 174.900 0.054 0.000 1.176 135 G CA -0.223 44.770 45.100 -0.178 0.000 0.852 135 G HN 0.460 nan 8.290 nan 0.000 0.530 136 Y N -1.188 118.940 120.300 -0.286 0.000 2.624 136 Y HA 0.681 5.231 4.550 -0.001 0.000 0.334 136 Y C -1.489 174.259 175.900 -0.254 0.000 1.155 136 Y CA -2.212 55.840 58.100 -0.080 0.000 1.046 136 Y CB 0.933 39.388 38.460 -0.008 0.000 1.316 136 Y HN 0.390 nan 8.280 nan 0.000 0.457 137 F N 1.387 121.473 119.950 0.227 0.000 2.385 137 F HA 0.547 5.074 4.527 -0.001 0.000 0.336 137 F C 0.211 176.165 175.800 0.257 0.000 1.100 137 F CA -0.394 57.687 58.000 0.134 0.000 1.116 137 F CB 1.707 40.781 39.000 0.124 0.000 1.166 137 F HN 0.630 nan 8.300 nan 0.000 0.511 138 E N 1.652 122.079 120.200 0.378 0.000 2.248 138 E HA 0.285 4.635 4.350 -0.001 0.000 0.267 138 E C -1.393 175.364 176.600 0.262 0.000 0.877 138 E CA -0.707 55.911 56.400 0.364 0.000 0.759 138 E CB 1.288 31.263 29.700 0.458 0.000 1.182 138 E HN 0.605 nan 8.360 nan 0.000 0.418 139 E N 3.797 124.125 120.200 0.213 0.000 2.259 139 E HA 0.354 4.703 4.350 -0.001 0.000 0.281 139 E C -0.648 176.053 176.600 0.169 0.000 1.027 139 E CA -0.293 56.223 56.400 0.193 0.000 0.838 139 E CB 1.227 31.036 29.700 0.181 0.000 1.066 139 E HN 0.348 nan 8.360 nan 0.000 0.401 140 L N 2.648 123.981 121.223 0.184 0.000 2.401 140 L HA 0.445 4.785 4.340 -0.001 0.000 0.266 140 L C -0.281 176.694 176.870 0.174 0.000 0.991 140 L CA -0.941 54.006 54.840 0.179 0.000 0.818 140 L CB 2.021 44.210 42.059 0.218 0.000 1.321 140 L HN 0.341 nan 8.230 nan 0.000 0.413 141 K N 2.102 122.598 120.400 0.160 0.000 2.227 141 K HA 0.603 4.922 4.320 -0.001 0.000 0.280 141 K C -1.369 175.311 176.600 0.135 0.000 1.041 141 K CA -0.461 55.920 56.287 0.157 0.000 0.905 141 K CB 1.419 34.017 32.500 0.163 0.000 1.068 141 K HN 0.402 nan 8.250 nan 0.000 0.470 142 V N 3.647 123.634 119.914 0.121 0.000 2.376 142 V HA 0.722 4.842 4.120 -0.001 0.000 0.287 142 V C 0.251 176.390 176.094 0.075 0.000 1.015 142 V CA -0.363 61.995 62.300 0.097 0.000 0.834 142 V CB 0.882 32.763 31.823 0.097 0.000 1.001 142 V HN 1.057 nan 8.190 nan 0.000 0.428 143 G N 5.792 114.628 108.800 0.060 0.000 2.320 143 G HA2 0.488 4.448 3.960 -0.001 0.000 0.296 143 G HA3 0.488 4.448 3.960 -0.001 0.000 0.296 143 G C -3.495 171.422 174.900 0.030 0.000 1.306 143 G CA -0.683 44.441 45.100 0.041 0.000 0.836 143 G HN 0.438 nan 8.290 nan 0.000 0.517 144 P HA 0.448 nan 4.420 nan 0.000 0.272 144 P C -0.422 176.881 177.300 0.006 0.000 1.240 144 P CA -0.149 62.955 63.100 0.007 0.000 0.791 144 P CB 1.047 32.743 31.700 -0.007 0.000 0.978 145 L N 1.749 122.972 121.223 0.001 0.000 2.334 145 L HA 0.493 4.833 4.340 -0.001 0.000 0.273 145 L C -1.720 175.144 176.870 -0.011 0.000 1.013 145 L CA -2.339 52.502 54.840 0.000 0.000 0.816 145 L CB 1.226 43.288 42.059 0.006 0.000 1.278 145 L HN 0.287 nan 8.230 nan 0.000 0.431 146 P HA 0.077 nan 4.420 nan 0.000 0.272 146 P C -0.504 176.796 177.300 0.000 0.000 1.240 146 P CA -0.405 62.694 63.100 -0.003 0.000 0.791 146 P CB 0.720 32.417 31.700 -0.005 0.000 0.978 147 V N 1.464 121.380 119.914 0.004 0.000 2.493 147 V HA 0.189 4.309 4.120 -0.001 0.000 0.292 147 V C 1.134 177.229 176.094 0.003 0.000 1.016 147 V CA 0.989 63.293 62.300 0.006 0.000 1.097 147 V CB -0.328 31.500 31.823 0.009 0.000 0.947 147 V HN 0.933 nan 8.190 nan 0.000 0.479 148 S N 2.114 117.815 115.700 0.002 0.000 2.840 148 S HA 0.390 4.860 4.470 -0.001 0.000 0.307 148 S C 0.548 175.149 174.600 0.001 0.000 1.180 148 S CA -0.132 58.069 58.200 0.000 0.000 0.846 148 S CB 1.507 64.706 63.200 -0.002 0.000 1.233 148 S HN 0.696 nan 8.310 nan 0.000 0.548 149 D N -0.087 120.312 120.400 -0.001 0.000 2.310 149 D HA -0.052 4.587 4.640 -0.001 0.000 0.212 149 D C 1.164 177.464 176.300 -0.000 0.000 0.965 149 D CA 0.965 54.964 54.000 -0.001 0.000 0.879 149 D CB -0.215 40.584 40.800 -0.002 0.000 0.921 149 D HN 0.646 nan 8.370 nan 0.000 0.510 150 E N -0.067 120.133 120.200 0.000 0.000 2.371 150 E HA 0.004 4.354 4.350 -0.001 0.000 0.194 150 E C 0.136 176.739 176.600 0.005 0.000 1.012 150 E CA 0.338 56.739 56.400 0.001 0.000 0.860 150 E CB 0.141 29.840 29.700 -0.001 0.000 0.811 150 E HN 0.234 nan 8.360 nan 0.000 0.502 151 T N 2.241 116.799 114.554 0.007 0.000 2.888 151 T HA 0.105 4.455 4.350 -0.001 0.000 0.301 151 T C 0.348 175.058 174.700 0.016 0.000 1.001 151 T CA 0.153 62.261 62.100 0.013 0.000 1.147 151 T CB 0.863 69.740 68.868 0.014 0.000 0.931 151 T HN 0.162 nan 8.240 nan 0.000 0.541 152 T N 0.378 114.948 114.554 0.026 0.000 2.907 152 T HA 0.763 5.112 4.350 -0.001 0.000 0.290 152 T C -0.490 174.241 174.700 0.052 0.000 1.066 152 T CA -1.015 61.103 62.100 0.031 0.000 1.012 152 T CB 1.125 70.011 68.868 0.031 0.000 1.184 152 T HN 0.441 nan 8.240 nan 0.000 0.522 153 I N 1.389 121.996 120.570 0.061 0.000 2.389 153 I HA 0.475 4.645 4.170 -0.001 0.000 0.288 153 I C -0.309 175.874 176.117 0.111 0.000 0.999 153 I CA -0.667 60.696 61.300 0.106 0.000 1.129 153 I CB 1.646 39.725 38.000 0.132 0.000 1.288 153 I HN 0.723 nan 8.210 nan 0.000 0.444 154 E N 6.733 127.003 120.200 0.117 0.000 2.367 154 E HA 0.439 4.788 4.350 -0.001 0.000 0.273 154 E C -2.658 174.006 176.600 0.107 0.000 0.903 154 E CA -2.200 54.258 56.400 0.098 0.000 0.764 154 E CB 2.105 31.852 29.700 0.078 0.000 1.252 154 E HN 0.234 nan 8.360 nan 0.000 0.446 155 P HA -0.015 nan 4.420 nan 0.000 0.265 155 P C -1.144 176.192 177.300 0.060 0.000 1.193 155 P CA -0.126 63.014 63.100 0.067 0.000 0.765 155 P CB 0.347 32.065 31.700 0.030 0.000 0.823 156 L N 3.393 124.641 121.223 0.041 0.000 2.343 156 L HA 0.472 4.812 4.340 -0.001 0.000 0.278 156 L C 0.344 177.102 176.870 -0.188 0.000 0.996 156 L CA 0.465 55.297 54.840 -0.013 0.000 0.831 156 L CB 1.055 43.144 42.059 0.050 0.000 1.232 156 L HN 0.428 nan 8.230 nan 0.000 0.413 157 S N 2.214 117.756 115.700 -0.263 0.000 2.800 157 S HA 0.027 4.497 4.470 -0.001 0.000 0.266 157 S C 1.124 175.465 174.600 -0.432 0.000 1.029 157 S CA 0.148 58.130 58.200 -0.364 0.000 1.302 157 S CB -0.788 62.328 63.200 -0.140 0.000 1.212 157 S HN 0.548 nan 8.310 nan 0.000 0.683 158 F N 2.944 122.665 119.950 -0.381 0.000 2.269 158 F HA 0.046 4.574 4.527 0.001 0.000 0.301 158 F C 1.769 177.496 175.800 -0.123 0.000 1.082 158 F CA 0.613 58.501 58.000 -0.188 0.000 1.360 158 F CB -1.050 37.905 39.000 -0.075 0.000 1.041 158 F HN 0.364 nan 8.300 nan 0.000 0.512 159 Y N -0.752 119.289 120.300 -0.431 0.000 2.466 159 Y HA 0.396 4.945 4.550 -0.001 0.000 0.272 159 Y C -0.152 175.708 175.900 -0.065 0.000 1.169 159 Y CA -1.595 56.368 58.100 -0.230 0.000 1.285 159 Y CB -1.559 36.660 38.460 -0.402 0.000 1.078 159 Y HN -0.088 nan 8.280 nan 0.000 0.523 160 N N 1.802 120.444 118.700 -0.097 0.000 2.408 160 N HA 0.033 4.773 4.740 -0.001 0.000 0.257 160 N C 1.200 176.739 175.510 0.048 0.000 1.064 160 N CA 0.756 53.826 53.050 0.033 0.000 0.952 160 N CB 1.586 40.046 38.487 -0.045 0.000 1.093 160 N HN 0.460 nan 8.380 nan 0.000 0.490 161 T N -1.053 113.560 114.554 0.099 0.000 2.881 161 T HA -0.188 4.161 4.350 -0.001 0.000 0.270 161 T C 1.200 175.927 174.700 0.044 0.000 1.068 161 T CA 0.924 63.078 62.100 0.090 0.000 1.131 161 T CB -0.134 68.796 68.868 0.102 0.000 0.871 161 T HN 0.497 nan 8.240 nan 0.000 0.479 162 N N 1.832 120.550 118.700 0.030 0.000 2.521 162 N HA 0.139 4.879 4.740 -0.001 0.000 0.188 162 N C 1.577 177.092 175.510 0.007 0.000 1.146 162 N CA 0.763 53.824 53.050 0.018 0.000 0.893 162 N CB -0.871 37.627 38.487 0.018 0.000 0.975 162 N HN 0.671 nan 8.380 nan 0.000 0.451 163 G N -0.243 108.558 108.800 0.001 0.000 2.155 163 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.257 163 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.257 163 G C -0.393 174.492 174.900 -0.024 0.000 0.983 163 G CA 0.583 45.677 45.100 -0.010 0.000 0.676 163 G HN 0.546 nan 8.290 nan 0.000 0.528 164 K N 0.050 120.434 120.400 -0.026 0.000 2.221 164 K HA 0.558 4.878 4.320 -0.001 0.000 0.258 164 K C 1.380 177.960 176.600 -0.033 0.000 0.944 164 K CA -0.055 56.216 56.287 -0.027 0.000 0.823 164 K CB 1.605 34.097 32.500 -0.013 0.000 1.113 164 K HN 0.222 nan 8.250 nan 0.000 0.431 165 S N 1.694 117.377 115.700 -0.029 0.000 2.478 165 S HA 0.021 4.490 4.470 -0.001 0.000 0.222 165 S C 0.296 174.933 174.600 0.062 0.000 1.008 165 S CA 0.233 58.434 58.200 0.001 0.000 0.928 165 S CB -0.009 63.195 63.200 0.007 0.000 0.781 165 S HN 0.429 nan 8.310 nan 0.000 0.518 166 K N 1.080 121.497 120.400 0.030 0.000 2.185 166 K HA 0.527 4.847 4.320 -0.001 0.000 0.269 166 K C -1.506 175.160 176.600 0.109 0.000 0.987 166 K CA -0.683 55.648 56.287 0.073 0.000 0.865 166 K CB 1.751 34.152 32.500 -0.165 0.000 1.090 166 K HN 0.138 nan 8.250 nan 0.000 0.450 167 L N 5.479 126.838 121.223 0.228 0.000 2.280 167 L HA 0.389 4.729 4.340 -0.001 0.000 0.287 167 L C -2.589 174.459 176.870 0.296 0.000 1.023 167 L CA -2.061 52.910 54.840 0.218 0.000 0.819 167 L CB 0.851 43.042 42.059 0.220 0.000 1.212 167 L HN 0.399 nan 8.230 nan 0.000 0.420 168 P HA -0.018 nan 4.420 nan 0.000 0.267 168 P C 0.464 177.907 177.300 0.239 0.000 1.200 168 P CA 0.072 63.289 63.100 0.196 0.000 0.772 168 P CB 0.329 32.075 31.700 0.075 0.000 0.855 169 F N 2.946 122.981 119.950 0.142 0.000 2.115 169 F HA -0.275 4.252 4.527 -0.001 0.000 0.300 169 F C 1.873 177.675 175.800 0.004 0.000 1.092 169 F CA 1.885 59.955 58.000 0.116 0.000 1.245 169 F CB -0.215 38.791 39.000 0.010 0.000 0.995 169 F HN 0.278 nan 8.300 nan 0.000 0.481 170 E N 0.068 120.232 120.200 -0.059 0.000 2.153 170 E HA -0.124 4.226 4.350 -0.001 0.000 0.194 170 E C 1.836 178.201 176.600 -0.391 0.000 0.988 170 E CA 1.577 57.801 56.400 -0.293 0.000 0.811 170 E CB -0.608 28.788 29.700 -0.506 0.000 0.746 170 E HN 0.453 nan 8.360 nan 0.000 0.466 171 V N -2.298 117.445 119.914 -0.284 0.000 3.043 171 V HA 0.512 4.631 4.120 -0.001 0.000 0.357 171 V C 0.763 176.784 176.094 -0.122 0.000 1.372 171 V CA -0.078 62.112 62.300 -0.184 0.000 1.214 171 V CB 0.218 31.971 31.823 -0.115 0.000 1.224 171 V HN -0.033 nan 8.190 nan 0.000 0.507 172 G N -0.038 108.675 108.800 -0.145 0.000 2.651 172 G HA2 0.293 4.252 3.960 -0.001 0.000 0.260 172 G HA3 0.293 4.252 3.960 -0.001 0.000 0.260 172 G C -0.394 174.368 174.900 -0.231 0.000 1.216 172 G CA -0.408 44.651 45.100 -0.067 0.000 0.913 172 G HN 0.721 nan 8.290 nan 0.000 0.535 173 H N -0.563 118.118 119.070 -0.647 0.000 2.928 173 H HA 0.127 4.683 4.556 -0.000 0.000 0.338 173 H C 0.489 175.689 175.328 -0.214 0.000 1.047 173 H CA -0.603 55.160 56.048 -0.474 0.000 1.435 173 H CB 0.924 30.269 29.762 -0.696 0.000 1.428 173 H HN 0.259 nan 8.280 nan 0.000 0.590 174 L N 6.317 127.134 121.223 -0.677 0.000 2.400 174 L HA 0.115 4.454 4.340 -0.001 0.000 0.262 174 L C -0.500 176.106 176.870 -0.440 0.000 1.309 174 L CA -0.020 54.564 54.840 -0.426 0.000 1.186 174 L CB -1.505 40.380 42.059 -0.290 0.000 1.375 174 L HN 0.767 nan 8.230 nan 0.000 0.433 175 D N 1.435 121.790 120.400 -0.075 0.000 2.466 175 D HA 0.162 4.802 4.640 -0.001 0.000 0.262 175 D C 0.948 177.348 176.300 0.167 0.000 1.177 175 D CA -0.485 53.663 54.000 0.247 0.000 1.035 175 D CB 0.575 41.704 40.800 0.549 0.000 1.105 175 D HN 0.269 nan 8.370 nan 0.000 0.551 176 R N -0.776 119.761 120.500 0.062 0.000 2.105 176 R HA -0.068 4.272 4.340 -0.001 0.000 0.239 176 R C 1.947 178.209 176.300 -0.065 0.000 1.135 176 R CA 0.886 56.901 56.100 -0.142 0.000 0.967 176 R CB -0.296 29.679 30.300 -0.541 0.000 0.861 176 R HN 0.471 nan 8.270 nan 0.000 0.442 177 I N 1.018 121.570 120.570 -0.030 0.000 2.202 177 I HA -0.239 3.930 4.170 -0.001 0.000 0.242 177 I C 2.317 178.515 176.117 0.135 0.000 1.091 177 I CA 1.467 62.745 61.300 -0.036 0.000 1.368 177 I CB -0.968 36.992 38.000 -0.067 0.000 1.058 177 I HN 0.123 nan 8.210 nan 0.000 0.410 178 K N 0.786 121.402 120.400 0.359 0.000 2.097 178 K HA -0.099 4.220 4.320 -0.001 0.000 0.205 178 K C 2.306 179.117 176.600 0.351 0.000 1.050 178 K CA 1.368 57.968 56.287 0.522 0.000 0.938 178 K CB 0.121 32.840 32.500 0.364 0.000 0.718 178 K HN 0.089 nan 8.250 nan 0.000 0.442 179 S N 0.564 116.395 115.700 0.218 0.000 2.359 179 S HA -0.177 4.292 4.470 -0.001 0.000 0.224 179 S C 2.011 176.723 174.600 0.186 0.000 1.035 179 S CA 1.311 59.629 58.200 0.197 0.000 1.018 179 S CB -0.350 62.938 63.200 0.146 0.000 0.876 179 S HN 0.542 nan 8.310 nan 0.000 0.448 180 A N 1.449 124.338 122.820 0.115 0.000 1.902 180 A HA 0.084 4.404 4.320 -0.001 0.000 0.217 180 A C 2.349 179.993 177.584 0.099 0.000 1.181 180 A CA 1.773 53.852 52.037 0.069 0.000 0.623 180 A CB -1.079 17.912 19.000 -0.016 0.000 0.818 180 A HN 0.526 nan 8.150 nan 0.000 0.443 181 A N -0.304 122.588 122.820 0.120 0.000 1.933 181 A HA -0.146 4.174 4.320 -0.001 0.000 0.218 181 A C 2.109 179.930 177.584 0.395 0.000 1.175 181 A CA 1.829 53.962 52.037 0.160 0.000 0.628 181 A CB -0.379 18.701 19.000 0.133 0.000 0.814 181 A HN 0.552 nan 8.150 nan 0.000 0.444 182 K N 0.325 121.011 120.400 0.477 0.000 2.062 182 K HA -0.102 4.217 4.320 -0.001 0.000 0.205 182 K C 2.443 179.256 176.600 0.355 0.000 1.051 182 K CA 1.500 58.087 56.287 0.500 0.000 0.941 182 K CB -0.181 32.586 32.500 0.445 0.000 0.719 182 K HN 0.656 nan 8.250 nan 0.000 0.440 183 S N 0.524 116.384 115.700 0.268 0.000 2.368 183 S HA -0.119 4.350 4.470 -0.001 0.000 0.225 183 S C 2.144 176.837 174.600 0.155 0.000 1.030 183 S CA 1.491 59.810 58.200 0.199 0.000 0.999 183 S CB -0.309 62.986 63.200 0.160 0.000 0.844 183 S HN 0.058 nan 8.310 nan 0.000 0.459 184 S N 1.404 117.195 115.700 0.151 0.000 2.368 184 S HA 0.024 4.494 4.470 -0.001 0.000 0.225 184 S C 1.386 176.055 174.600 0.115 0.000 1.030 184 S CA 1.306 59.568 58.200 0.103 0.000 0.999 184 S CB -0.633 62.608 63.200 0.069 0.000 0.844 184 S HN 0.634 nan 8.310 nan 0.000 0.459 185 F N 2.315 122.305 119.950 0.067 0.000 2.134 185 F HA -0.037 4.489 4.527 -0.000 0.000 0.299 185 F C 1.770 177.550 175.800 -0.034 0.000 1.097 185 F CA 1.221 59.259 58.000 0.064 0.000 1.264 185 F CB -0.345 38.802 39.000 0.245 0.000 1.001 185 F HN 0.084 nan 8.300 nan 0.000 0.479 186 L N 0.270 121.417 121.223 -0.126 0.000 2.056 186 L HA -0.232 4.107 4.340 -0.001 0.000 0.207 186 L C 2.263 179.007 176.870 -0.210 0.000 1.078 186 L CA 1.781 56.451 54.840 -0.284 0.000 0.749 186 L CB -0.959 41.055 42.059 -0.075 0.000 0.901 186 L HN 0.262 nan 8.230 nan 0.000 0.433 187 N N 0.626 119.290 118.700 -0.060 0.000 2.120 187 N HA -0.248 4.491 4.740 -0.001 0.000 0.188 187 N C 1.815 177.236 175.510 -0.149 0.000 1.024 187 N CA 1.387 54.433 53.050 -0.007 0.000 0.852 187 N CB -0.030 38.495 38.487 0.064 0.000 1.003 187 N HN 0.119 nan 8.380 nan 0.000 0.424 188 K N -0.122 120.171 120.400 -0.179 0.000 2.103 188 K HA -0.088 4.232 4.320 -0.001 0.000 0.207 188 K C 1.411 177.854 176.600 -0.260 0.000 1.048 188 K CA 1.324 57.491 56.287 -0.200 0.000 0.930 188 K CB -0.035 32.359 32.500 -0.175 0.000 0.716 188 K HN 0.312 nan 8.250 nan 0.000 0.444 189 N N -0.015 118.465 118.700 -0.367 0.000 2.336 189 N HA -0.017 4.723 4.740 -0.001 0.000 0.177 189 N C 1.610 176.984 175.510 -0.226 0.000 1.018 189 N CA 0.742 53.604 53.050 -0.313 0.000 0.878 189 N CB 0.248 38.463 38.487 -0.453 0.000 0.997 189 N HN 0.187 nan 8.380 nan 0.000 0.433 190 L N 0.154 121.220 121.223 -0.262 0.000 2.529 190 L HA 0.114 4.454 4.340 -0.001 0.000 0.223 190 L C 0.959 177.527 176.870 -0.504 0.000 1.113 190 L CA 0.280 54.969 54.840 -0.252 0.000 0.861 190 L CB 0.030 42.038 42.059 -0.085 0.000 1.012 190 L HN -0.045 nan 8.230 nan 0.000 0.461 191 N N 0.156 118.488 118.700 -0.613 0.000 2.279 191 N HA 0.004 4.744 4.740 -0.001 0.000 0.226 191 N C 0.408 175.659 175.510 -0.432 0.000 1.126 191 N CA -0.052 52.509 53.050 -0.814 0.000 0.846 191 N CB 0.161 38.168 38.487 -0.799 0.000 1.050 191 N HN 0.181 nan 8.380 nan 0.000 0.502 192 T N -4.291 110.068 114.554 -0.325 0.000 2.816 192 T HA 0.130 4.479 4.350 -0.001 0.000 0.282 192 T C 1.470 176.034 174.700 -0.226 0.000 0.993 192 T CA -0.302 61.659 62.100 -0.231 0.000 0.994 192 T CB 0.808 69.566 68.868 -0.184 0.000 1.025 192 T HN 0.002 nan 8.240 nan 0.000 0.529 193 T N 1.000 115.442 114.554 -0.186 0.000 2.720 193 T HA -0.067 4.283 4.350 -0.001 0.000 0.268 193 T C 1.914 176.493 174.700 -0.201 0.000 1.037 193 T CA 1.420 63.415 62.100 -0.176 0.000 1.144 193 T CB -0.486 68.291 68.868 -0.153 0.000 0.864 193 T HN 0.566 nan 8.240 nan 0.000 0.444 194 I N 0.460 120.891 120.570 -0.232 0.000 2.163 194 I HA -0.135 4.035 4.170 -0.001 0.000 0.240 194 I C 2.499 178.485 176.117 -0.218 0.000 1.081 194 I CA 0.966 62.095 61.300 -0.285 0.000 1.353 194 I CB -0.297 37.510 38.000 -0.322 0.000 1.054 194 I HN 0.175 nan 8.210 nan 0.000 0.407 195 M N 0.137 119.599 119.600 -0.232 0.000 2.213 195 M HA -0.154 4.326 4.480 -0.001 0.000 0.263 195 M C 2.312 178.448 176.300 -0.273 0.000 1.062 195 M CA 1.562 56.696 55.300 -0.277 0.000 1.105 195 M CB -1.230 31.196 32.600 -0.289 0.000 1.385 195 M HN 0.172 nan 8.290 nan 0.000 0.417 196 R N -0.131 120.221 120.500 -0.247 0.000 2.081 196 R HA -0.184 4.155 4.340 -0.001 0.000 0.235 196 R C 1.835 178.047 176.300 -0.146 0.000 1.131 196 R CA 1.795 57.776 56.100 -0.199 0.000 0.960 196 R CB -0.349 29.840 30.300 -0.185 0.000 0.856 196 R HN 0.383 nan 8.270 nan 0.000 0.436 197 D N -0.430 119.894 120.400 -0.127 0.000 2.117 197 D HA -0.105 4.534 4.640 -0.001 0.000 0.198 197 D C 1.775 178.012 176.300 -0.105 0.000 0.982 197 D CA 0.786 54.745 54.000 -0.069 0.000 0.828 197 D CB 0.258 41.072 40.800 0.024 0.000 0.967 197 D HN -0.089 nan 8.370 nan 0.000 0.464 198 V N 0.507 120.335 119.914 -0.144 0.000 2.287 198 V HA -0.250 3.870 4.120 -0.001 0.000 0.248 198 V C 2.502 178.379 176.094 -0.362 0.000 1.053 198 V CA 1.395 63.543 62.300 -0.252 0.000 1.027 198 V CB -0.494 31.144 31.823 -0.309 0.000 0.646 198 V HN 0.318 nan 8.190 nan 0.000 0.447 199 L N -0.352 120.630 121.223 -0.402 0.000 2.017 199 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 199 L C 2.593 179.308 176.870 -0.258 0.000 1.073 199 L CA 2.135 56.710 54.840 -0.441 0.000 0.745 199 L CB -0.606 41.236 42.059 -0.362 0.000 0.894 199 L HN 0.408 nan 8.230 nan 0.000 0.432 200 E N 0.210 120.309 120.200 -0.168 0.000 2.110 200 E HA -0.179 4.171 4.350 -0.001 0.000 0.193 200 E C 2.172 178.709 176.600 -0.105 0.000 0.988 200 E CA 1.226 57.563 56.400 -0.105 0.000 0.804 200 E CB -0.155 29.503 29.700 -0.070 0.000 0.745 200 E HN 0.423 nan 8.360 nan 0.000 0.458 201 G N 0.767 109.487 108.800 -0.134 0.000 2.402 201 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.216 201 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.216 201 G C 1.529 176.362 174.900 -0.112 0.000 1.162 201 G CA 0.672 45.700 45.100 -0.120 0.000 0.777 201 G HN 0.210 nan 8.290 nan 0.000 0.539 202 L N -0.375 120.737 121.223 -0.186 0.000 2.131 202 L HA 0.186 4.526 4.340 -0.001 0.000 0.206 202 L C 2.624 179.457 176.870 -0.061 0.000 1.087 202 L CA 0.665 55.392 54.840 -0.188 0.000 0.767 202 L CB -0.147 41.638 42.059 -0.456 0.000 0.917 202 L HN 0.201 nan 8.230 nan 0.000 0.441 203 I N -1.583 118.938 120.570 -0.081 0.000 3.339 203 I HA 0.142 4.311 4.170 -0.001 0.000 0.285 203 I C 1.575 177.699 176.117 0.011 0.000 1.201 203 I CA 0.808 62.096 61.300 -0.019 0.000 1.434 203 I CB 0.293 38.257 38.000 -0.059 0.000 1.152 203 I HN 0.357 nan 8.210 nan 0.000 0.443 204 G N 1.716 110.507 108.800 -0.014 0.000 2.179 204 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.220 204 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.220 204 G C 0.230 175.130 174.900 -0.000 0.000 0.990 204 G CA 0.064 45.166 45.100 0.005 0.000 0.646 204 G HN 0.370 nan 8.290 nan 0.000 0.517 205 V N -2.749 117.157 119.914 -0.014 0.000 3.040 205 V HA 0.967 5.087 4.120 -0.001 0.000 0.312 205 V C -2.509 173.570 176.094 -0.026 0.000 1.115 205 V CA -2.290 60.001 62.300 -0.015 0.000 0.998 205 V CB 2.407 34.223 31.823 -0.012 0.000 1.042 205 V HN 0.099 nan 8.190 nan 0.000 0.433 206 P HA 0.151 nan 4.420 nan 0.000 0.274 206 P C 0.163 177.475 177.300 0.019 0.000 1.246 206 P CA -0.036 63.065 63.100 0.001 0.000 0.795 206 P CB 0.624 32.329 31.700 0.007 0.000 1.006 207 Y N 1.463 121.712 120.300 -0.085 0.000 2.181 207 Y HA -0.293 4.257 4.550 -0.001 0.000 0.284 207 Y C 1.958 177.826 175.900 -0.054 0.000 1.179 207 Y CA 2.164 60.214 58.100 -0.083 0.000 1.179 207 Y CB -0.572 37.830 38.460 -0.096 0.000 0.973 207 Y HN 0.314 nan 8.280 nan 0.000 0.519 208 E N -0.073 120.122 120.200 -0.009 0.000 2.265 208 E HA -0.157 4.193 4.350 -0.001 0.000 0.196 208 E C 1.188 177.718 176.600 -0.117 0.000 0.996 208 E CA 1.478 57.833 56.400 -0.074 0.000 0.832 208 E CB -0.221 29.477 29.700 -0.004 0.000 0.756 208 E HN 0.505 nan 8.360 nan 0.000 0.491 209 D N -0.856 119.484 120.400 -0.100 0.000 2.363 209 D HA 0.117 4.756 4.640 -0.001 0.000 0.214 209 D C 0.462 176.704 176.300 -0.097 0.000 1.093 209 D CA 0.142 54.094 54.000 -0.080 0.000 0.837 209 D CB 0.141 40.913 40.800 -0.047 0.000 0.948 209 D HN 0.285 nan 8.370 nan 0.000 0.507 210 M N -1.909 117.598 119.600 -0.154 0.000 2.691 210 M HA 0.746 5.225 4.480 -0.001 0.000 0.293 210 M C -0.486 175.704 176.300 -0.183 0.000 1.259 210 M CA -1.018 54.202 55.300 -0.134 0.000 0.827 210 M CB 2.626 35.165 32.600 -0.103 0.000 1.753 210 M HN -0.200 nan 8.290 nan 0.000 0.465 211 G N 0.643 109.396 108.800 -0.079 0.000 2.643 211 G HA2 0.657 4.617 3.960 -0.001 0.000 0.305 211 G HA3 0.657 4.617 3.960 -0.001 0.000 0.305 211 G C -1.589 173.401 174.900 0.150 0.000 1.387 211 G CA -0.524 44.561 45.100 -0.026 0.000 0.982 211 G HN 0.919 nan 8.290 nan 0.000 0.501 212 c N 1.700 120.413 118.600 0.189 0.000 2.411 212 c HA 0.983 5.552 4.570 -0.001 0.000 0.330 212 c C -0.054 174.313 174.090 0.463 0.000 1.224 212 c CA -0.586 55.956 56.329 0.355 0.000 1.770 212 c CB 0.396 43.104 42.510 0.329 0.000 2.297 212 c HN 1.071 nan 8.230 nan 0.000 0.507 213 H N -1.037 118.281 119.070 0.414 0.000 3.003 213 H HA 0.675 5.230 4.556 -0.001 0.000 0.327 213 H C -1.176 174.477 175.328 0.542 0.000 1.353 213 H CA -0.546 55.744 56.048 0.404 0.000 1.142 213 H CB 0.513 30.442 29.762 0.277 0.000 1.864 213 H HN 0.435 nan 8.280 nan 0.000 0.529 214 S N 0.157 116.208 115.700 0.586 0.000 2.593 214 S HA 0.736 5.206 4.470 -0.001 0.000 0.297 214 S C -0.018 174.884 174.600 0.503 0.000 1.112 214 S CA -0.418 58.122 58.200 0.565 0.000 1.043 214 S CB 1.578 65.134 63.200 0.594 0.000 1.054 214 S HN 0.903 nan 8.310 nan 0.000 0.516 215 A N 1.336 124.280 122.820 0.207 0.000 2.407 215 A HA 0.676 4.996 4.320 -0.001 0.000 0.248 215 A C 0.168 177.724 177.584 -0.045 0.000 1.082 215 A CA -0.387 51.486 52.037 -0.273 0.000 0.785 215 A CB -0.041 18.623 19.000 -0.559 0.000 1.020 215 A HN 1.054 nan 8.150 nan 0.000 0.489 216 A N 3.448 126.238 122.820 -0.049 0.000 2.355 216 A HA 0.826 5.146 4.320 -0.001 0.000 0.317 216 A C -2.695 174.857 177.584 -0.053 0.000 1.094 216 A CA -1.795 50.283 52.037 0.069 0.000 0.764 216 A CB 1.099 20.331 19.000 0.387 0.000 1.230 216 A HN 0.648 nan 8.150 nan 0.000 0.448 217 P HA 0.259 nan 4.420 nan 0.000 0.279 217 P C -0.581 176.683 177.300 -0.061 0.000 1.276 217 P CA -0.328 62.755 63.100 -0.029 0.000 0.801 217 P CB 0.618 32.273 31.700 -0.076 0.000 1.127 218 Q N -0.382 119.372 119.800 -0.077 0.000 2.471 218 Q HA 0.320 4.660 4.340 -0.001 0.000 0.223 218 Q C -0.374 175.564 176.000 -0.104 0.000 1.045 218 Q CA -0.129 55.601 55.803 -0.123 0.000 0.956 218 Q CB 0.154 28.805 28.738 -0.145 0.000 1.249 218 Q HN 0.353 nan 8.270 nan 0.000 0.549 219 L N 1.866 123.015 121.223 -0.123 0.000 2.408 219 L HA 0.280 4.620 4.340 -0.001 0.000 0.257 219 L C -0.790 176.058 176.870 -0.037 0.000 1.053 219 L CA -0.577 54.219 54.840 -0.072 0.000 0.922 219 L CB 0.503 42.506 42.059 -0.094 0.000 1.261 219 L HN 0.576 nan 8.230 nan 0.000 0.458 220 H N 1.699 120.731 119.070 -0.064 0.000 2.580 220 H HA 0.215 4.770 4.556 -0.001 0.000 0.322 220 H C -0.785 174.567 175.328 0.040 0.000 1.082 220 H CA -0.116 55.912 56.048 -0.033 0.000 1.383 220 H CB 1.062 30.808 29.762 -0.027 0.000 1.450 220 H HN 0.349 nan 8.280 nan 0.000 0.505 221 D N 6.086 126.133 120.400 -0.590 0.000 2.412 221 D HA 0.181 4.821 4.640 -0.001 0.000 0.224 221 D C -1.916 173.998 176.300 -0.644 0.000 1.093 221 D CA -2.566 51.171 54.000 -0.438 0.000 0.850 221 D CB 1.616 42.258 40.800 -0.263 0.000 1.046 221 D HN 0.404 nan 8.370 nan 0.000 0.507 222 P HA -0.032 nan 4.420 nan 0.000 0.222 222 P C 0.920 178.121 177.300 -0.165 0.000 1.147 222 P CA 0.639 63.617 63.100 -0.204 0.000 0.790 222 P CB 0.294 31.951 31.700 -0.072 0.000 0.780 223 A N -0.148 122.547 122.820 -0.209 0.000 1.929 223 A HA -0.111 4.208 4.320 -0.001 0.000 0.216 223 A C 2.130 179.649 177.584 -0.109 0.000 1.176 223 A CA 2.314 54.263 52.037 -0.147 0.000 0.628 223 A CB -1.582 17.324 19.000 -0.157 0.000 0.816 223 A HN 0.351 nan 8.150 nan 0.000 0.444 224 T N -5.751 108.724 114.554 -0.131 0.000 3.001 224 T HA 0.420 4.770 4.350 -0.001 0.000 0.251 224 T C 1.463 176.125 174.700 -0.064 0.000 1.040 224 T CA 1.096 63.143 62.100 -0.088 0.000 0.985 224 T CB 0.358 69.173 68.868 -0.090 0.000 1.011 224 T HN 1.661 nan 8.240 nan 0.000 0.509 225 G N 1.562 110.306 108.800 -0.095 0.000 2.184 225 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.264 225 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.264 225 G C 0.333 175.268 174.900 0.059 0.000 0.975 225 G CA 0.026 45.146 45.100 0.034 0.000 0.642 225 G HN 1.235 nan 8.290 nan 0.000 0.536 226 A N -0.161 122.611 122.820 -0.079 0.000 2.340 226 A HA 0.742 5.062 4.320 -0.001 0.000 0.268 226 A C 0.404 177.965 177.584 -0.039 0.000 1.100 226 A CA 0.913 52.925 52.037 -0.043 0.000 0.803 226 A CB 0.746 19.699 19.000 -0.078 0.000 1.043 226 A HN 0.740 nan 8.150 nan 0.000 0.488 227 T N 1.845 116.395 114.554 -0.006 0.000 2.815 227 T HA 0.536 4.886 4.350 -0.001 0.000 0.289 227 T C -0.122 174.433 174.700 -0.242 0.000 1.000 227 T CA -0.252 61.816 62.100 -0.054 0.000 0.958 227 T CB 0.751 69.604 68.868 -0.024 0.000 0.944 227 T HN 1.201 nan 8.240 nan 0.000 0.442 228 V N 0.245 119.985 119.914 -0.291 0.000 3.113 228 V HA 0.983 5.103 4.120 -0.001 0.000 0.316 228 V C -1.251 174.501 176.094 -0.569 0.000 1.125 228 V CA -0.884 61.138 62.300 -0.464 0.000 1.026 228 V CB 2.429 34.003 31.823 -0.415 0.000 1.080 228 V HN 0.685 nan 8.190 nan 0.000 0.444 229 D N -0.899 118.977 120.400 -0.873 0.000 2.736 229 D HA 0.513 5.153 4.640 -0.001 0.000 0.223 229 D C -1.768 174.066 176.300 -0.777 0.000 1.231 229 D CA -0.205 53.318 54.000 -0.794 0.000 0.818 229 D CB 2.151 42.394 40.800 -0.929 0.000 1.587 229 D HN 0.598 nan 8.370 nan 0.000 0.463 230 Y N 0.141 120.224 120.300 -0.362 0.000 2.568 230 Y HA 0.774 5.324 4.550 -0.001 0.000 0.327 230 Y C 1.171 177.049 175.900 -0.037 0.000 1.163 230 Y CA -0.091 57.897 58.100 -0.186 0.000 1.219 230 Y CB 2.259 40.585 38.460 -0.224 0.000 1.308 230 Y HN 0.414 nan 8.280 nan 0.000 0.503 231 G N -0.559 108.202 108.800 -0.066 0.000 2.623 231 G HA2 0.520 4.480 3.960 -0.001 0.000 0.290 231 G HA3 0.520 4.480 3.960 -0.001 0.000 0.290 231 G C -1.473 172.962 174.900 -0.776 0.000 1.437 231 G CA -0.539 44.291 45.100 -0.449 0.000 0.798 231 G HN 0.603 nan 8.290 nan 0.000 0.488 232 T N -2.039 112.114 114.554 -0.668 0.000 2.671 232 T HA 0.601 4.950 4.350 -0.001 0.000 0.300 232 T C -1.327 173.273 174.700 -0.166 0.000 1.238 232 T CA -0.264 61.578 62.100 -0.430 0.000 1.020 232 T CB 1.152 69.737 68.868 -0.472 0.000 1.503 232 T HN 0.954 nan 8.240 nan 0.000 0.497 233 c N 1.807 120.405 118.600 -0.005 0.000 2.634 233 c HA 0.848 5.418 4.570 -0.001 0.000 0.313 233 c C -0.515 173.614 174.090 0.065 0.000 1.198 233 c CA -0.880 55.523 56.329 0.123 0.000 1.605 233 c CB 0.888 43.508 42.510 0.184 0.000 2.196 233 c HN 0.936 nan 8.230 nan 0.000 0.486 234 N N 0.702 119.465 118.700 0.105 0.000 2.265 234 N HA 0.593 5.333 4.740 -0.001 0.000 0.300 234 N C -0.913 174.607 175.510 0.017 0.000 1.148 234 N CA -0.669 52.416 53.050 0.058 0.000 0.772 234 N CB 0.774 39.290 38.487 0.049 0.000 1.434 234 N HN 0.446 nan 8.380 nan 0.000 0.481 235 I N 1.587 122.162 120.570 0.009 0.000 2.618 235 I HA 0.056 4.226 4.170 -0.001 0.000 0.284 235 I C 0.245 176.330 176.117 -0.053 0.000 1.146 235 I CA -0.190 61.100 61.300 -0.016 0.000 1.425 235 I CB -0.261 37.742 38.000 0.005 0.000 1.383 235 I HN 0.399 nan 8.210 nan 0.000 0.562 236 N N 4.554 123.216 118.700 -0.065 0.000 2.458 236 N HA 0.147 4.887 4.740 -0.001 0.000 0.258 236 N C 0.278 175.735 175.510 -0.087 0.000 1.219 236 N CA 0.090 53.092 53.050 -0.079 0.000 0.902 236 N CB 0.727 39.167 38.487 -0.077 0.000 1.076 236 N HN 0.704 nan 8.380 nan 0.000 0.455 237 T N -2.789 111.701 114.554 -0.107 0.000 2.916 237 T HA 0.355 4.705 4.350 -0.001 0.000 0.292 237 T C 0.778 175.419 174.700 -0.098 0.000 1.064 237 T CA -0.828 61.200 62.100 -0.120 0.000 1.011 237 T CB 1.536 70.296 68.868 -0.179 0.000 1.152 237 T HN 0.546 nan 8.240 nan 0.000 0.510 238 E N 0.704 120.851 120.200 -0.089 0.000 2.478 238 E HA 0.010 4.360 4.350 -0.001 0.000 0.194 238 E C 0.655 177.219 176.600 -0.060 0.000 1.045 238 E CA 0.117 56.478 56.400 -0.065 0.000 0.868 238 E CB -0.147 29.521 29.700 -0.053 0.000 0.885 238 E HN 0.660 nan 8.360 nan 0.000 0.505 239 N N 0.867 119.517 118.700 -0.084 0.000 2.351 239 N HA 0.037 4.777 4.740 -0.001 0.000 0.254 239 N C -0.930 174.538 175.510 -0.069 0.000 1.241 239 N CA 0.118 53.135 53.050 -0.054 0.000 0.883 239 N CB 0.243 38.703 38.487 -0.045 0.000 1.202 239 N HN -0.111 nan 8.380 nan 0.000 0.512 240 D N -0.301 120.033 120.400 -0.111 0.000 2.945 240 D HA -0.172 4.468 4.640 -0.001 0.000 0.225 240 D C 0.326 176.349 176.300 -0.461 0.000 1.158 240 D CA 1.162 55.070 54.000 -0.152 0.000 0.805 240 D CB -1.337 39.463 40.800 0.001 0.000 1.098 240 D HN 0.642 nan 8.370 nan 0.000 0.426 241 A N -0.368 122.108 122.820 -0.573 0.000 2.507 241 A HA 0.304 4.624 4.320 -0.001 0.000 0.270 241 A C 1.660 178.934 177.584 -0.518 0.000 1.318 241 A CA -0.034 51.457 52.037 -0.909 0.000 0.924 241 A CB 0.176 18.744 19.000 -0.720 0.000 1.061 241 A HN 0.105 nan 8.150 nan 0.000 0.516 242 E N 0.590 120.584 120.200 -0.344 0.000 2.171 242 E HA -0.223 4.127 4.350 -0.001 0.000 0.197 242 E C 1.356 177.867 176.600 -0.149 0.000 0.997 242 E CA 1.808 58.085 56.400 -0.205 0.000 0.810 242 E CB -0.413 29.185 29.700 -0.169 0.000 0.738 242 E HN 0.764 nan 8.360 nan 0.000 0.467 243 N N -0.437 118.161 118.700 -0.171 0.000 2.443 243 N HA -0.077 4.662 4.740 -0.001 0.000 0.184 243 N C 0.947 176.466 175.510 0.016 0.000 1.037 243 N CA 0.543 53.564 53.050 -0.048 0.000 0.896 243 N CB 0.050 38.536 38.487 -0.002 0.000 0.959 243 N HN 0.146 nan 8.380 nan 0.000 0.442 244 L N 0.000 121.193 121.223 -0.050 0.000 2.558 244 L HA 0.122 4.462 4.340 -0.001 0.000 0.225 244 L C 0.291 177.253 176.870 0.152 0.000 1.128 244 L CA 0.160 55.042 54.840 0.069 0.000 0.868 244 L CB 0.209 42.236 42.059 -0.053 0.000 1.006 244 L HN 0.080 nan 8.230 nan 0.000 0.454 245 V N -2.694 117.262 119.914 0.069 0.000 2.572 245 V HA 0.395 4.514 4.120 -0.001 0.000 0.274 245 V C -2.661 173.509 176.094 0.126 0.000 1.075 245 V CA -1.704 60.671 62.300 0.125 0.000 1.237 245 V CB -0.139 31.718 31.823 0.056 0.000 1.517 245 V HN -0.074 nan 8.190 nan 0.000 0.616 246 P HA 0.231 nan 4.420 nan 0.000 0.280 246 P C 1.000 178.438 177.300 0.229 0.000 1.244 246 P CA 0.381 63.576 63.100 0.158 0.000 0.784 246 P CB 1.775 33.589 31.700 0.190 0.000 0.913 247 T N -1.593 113.023 114.554 0.102 0.000 3.067 247 T HA 0.191 4.541 4.350 -0.001 0.000 0.257 247 T C 1.402 176.013 174.700 -0.149 0.000 1.105 247 T CA 0.793 62.935 62.100 0.071 0.000 1.104 247 T CB -0.918 67.972 68.868 0.036 0.000 0.925 247 T HN 0.636 nan 8.240 nan 0.000 0.498 248 G N 1.081 109.717 108.800 -0.273 0.000 2.148 248 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.254 248 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.254 248 G C -0.186 174.299 174.900 -0.691 0.000 0.981 248 G CA 0.080 44.846 45.100 -0.557 0.000 0.670 248 G HN 0.668 nan 8.290 nan 0.000 0.528 249 F N 1.340 120.901 119.950 -0.649 0.000 2.405 249 F HA 0.730 5.257 4.527 -0.001 0.000 0.355 249 F C -0.046 175.412 175.800 -0.569 0.000 1.121 249 F CA -1.521 56.288 58.000 -0.318 0.000 1.112 249 F CB 0.353 39.319 39.000 -0.056 0.000 1.126 249 F HN -0.011 nan 8.300 nan 0.000 0.481 250 F N 6.135 125.862 119.950 -0.371 0.000 2.579 250 F HA 0.690 5.217 4.527 -0.001 0.000 0.324 250 F C -0.715 174.993 175.800 -0.153 0.000 1.058 250 F CA -1.017 56.846 58.000 -0.229 0.000 0.944 250 F CB 1.687 40.648 39.000 -0.065 0.000 1.245 250 F HN 0.369 nan 8.300 nan 0.000 0.477 251 F N -0.654 119.462 119.950 0.277 0.000 2.686 251 F HA 0.730 5.256 4.527 -0.001 0.000 0.311 251 F C -1.533 174.396 175.800 0.213 0.000 1.128 251 F CA -1.350 56.780 58.000 0.215 0.000 0.946 251 F CB 1.892 41.062 39.000 0.285 0.000 1.336 251 F HN 0.377 nan 8.300 nan 0.000 0.457 252 K N 1.735 122.302 120.400 0.278 0.000 2.468 252 K HA 0.679 4.999 4.320 -0.001 0.000 0.252 252 K C -2.115 174.557 176.600 0.120 0.000 0.932 252 K CA -0.676 55.545 56.287 -0.109 0.000 0.794 252 K CB 2.398 34.595 32.500 -0.504 0.000 1.241 252 K HN 0.783 nan 8.250 nan 0.000 0.428 253 F N 0.026 119.924 119.950 -0.086 0.000 2.613 253 F HA 0.474 5.000 4.527 -0.001 0.000 0.310 253 F C -1.008 174.681 175.800 -0.185 0.000 1.085 253 F CA -1.091 56.897 58.000 -0.020 0.000 0.945 253 F CB 1.427 40.570 39.000 0.238 0.000 1.298 253 F HN 0.291 nan 8.300 nan 0.000 0.455 254 D N 3.827 124.205 120.400 -0.037 0.000 2.233 254 D HA 0.328 4.967 4.640 -0.001 0.000 0.240 254 D C -0.312 175.765 176.300 -0.371 0.000 1.074 254 D CA -0.446 53.430 54.000 -0.207 0.000 0.838 254 D CB 1.635 42.385 40.800 -0.084 0.000 1.124 254 D HN 0.861 nan 8.370 nan 0.000 0.475 255 M N 1.184 120.379 119.600 -0.676 0.000 2.911 255 M HA 0.272 4.752 4.480 -0.001 0.000 0.381 255 M C -0.541 175.217 176.300 -0.903 0.000 1.287 255 M CA -0.694 53.669 55.300 -1.561 0.000 0.858 255 M CB 0.614 32.300 32.600 -1.523 0.000 1.385 255 M HN -0.130 nan 8.290 nan 0.000 0.504 256 T N 2.272 116.640 114.554 -0.310 0.000 2.870 256 T HA 0.578 4.927 4.350 -0.001 0.000 0.300 256 T C 0.732 175.632 174.700 0.333 0.000 0.989 256 T CA 0.995 63.123 62.100 0.047 0.000 1.139 256 T CB 0.803 69.712 68.868 0.070 0.000 0.920 256 T HN 0.858 nan 8.240 nan 0.000 0.537 257 G N 2.734 111.759 108.800 0.375 0.000 2.746 257 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.685 257 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.685 257 G C 0.301 175.396 174.900 0.325 0.000 1.350 257 G CA -0.728 44.563 45.100 0.319 0.000 0.837 257 G HN 0.691 nan 8.290 nan 0.000 0.564 258 R N -0.301 120.121 120.500 -0.131 0.000 2.299 258 R HA 0.066 4.406 4.340 -0.001 0.000 0.197 258 R C 0.381 176.747 176.300 0.111 0.000 0.971 258 R CA 0.535 56.401 56.100 -0.389 0.000 1.030 258 R CB 0.196 29.944 30.300 -0.921 0.000 0.932 258 R HN 0.453 nan 8.270 nan 0.000 0.477 259 D N 1.154 121.647 120.400 0.155 0.000 2.441 259 D HA 0.007 4.647 4.640 -0.001 0.000 0.221 259 D C 1.336 177.525 176.300 -0.185 0.000 1.156 259 D CA -0.304 53.758 54.000 0.103 0.000 0.896 259 D CB 1.444 42.323 40.800 0.131 0.000 1.028 259 D HN -0.060 nan 8.370 nan 0.000 0.509 260 V N 2.149 121.801 119.914 -0.437 0.000 2.913 260 V HA -0.140 3.980 4.120 -0.001 0.000 0.260 260 V C 1.944 177.829 176.094 -0.347 0.000 1.098 260 V CA 1.660 63.368 62.300 -0.987 0.000 1.121 260 V CB -0.962 30.327 31.823 -0.890 0.000 0.714 260 V HN 0.505 nan 8.190 nan 0.000 0.487 261 S N 0.076 115.703 115.700 -0.123 0.000 2.442 261 S HA -0.201 4.268 4.470 -0.001 0.000 0.236 261 S C 1.817 176.472 174.600 0.091 0.000 1.007 261 S CA 1.354 59.561 58.200 0.012 0.000 0.965 261 S CB -0.525 62.680 63.200 0.009 0.000 0.773 261 S HN 0.711 nan 8.310 nan 0.000 0.504 262 Q N -0.553 119.312 119.800 0.109 0.000 2.356 262 Q HA 0.169 4.509 4.340 -0.001 0.000 0.205 262 Q C -0.430 175.788 176.000 0.364 0.000 0.901 262 Q CA -0.067 55.861 55.803 0.208 0.000 0.938 262 Q CB -0.097 28.759 28.738 0.196 0.000 1.081 262 Q HN 0.631 nan 8.270 nan 0.000 0.517 263 W N 2.211 123.561 121.300 0.083 0.000 2.181 263 W HA 0.209 4.868 4.660 -0.001 0.000 0.335 263 W C 0.425 177.055 176.519 0.184 0.000 1.310 263 W CA -0.295 57.037 57.345 -0.022 0.000 1.226 263 W CB 0.189 29.420 29.460 -0.382 0.000 1.155 263 W HN -0.215 nan 8.180 nan 0.000 0.565 264 K N 2.280 122.910 120.400 0.382 0.000 2.513 264 K HA 0.306 4.625 4.320 -0.001 0.000 0.251 264 K C -0.699 176.179 176.600 0.463 0.000 0.939 264 K CA -1.365 55.176 56.287 0.423 0.000 0.793 264 K CB 2.121 34.762 32.500 0.235 0.000 1.241 264 K HN 0.184 nan 8.250 nan 0.000 0.431 265 M N 4.047 123.913 119.600 0.445 0.000 2.246 265 M HA 0.102 4.582 4.480 -0.001 0.000 0.350 265 M C -0.059 176.291 176.300 0.083 0.000 1.406 265 M CA 0.456 55.901 55.300 0.242 0.000 1.089 265 M CB 0.222 32.833 32.600 0.019 0.000 1.782 265 M HN 0.720 nan 8.290 nan 0.000 0.457 266 L N 2.438 123.687 121.223 0.044 0.000 2.286 266 L HA 0.258 4.598 4.340 -0.001 0.000 0.203 266 L C 0.185 177.025 176.870 -0.050 0.000 1.068 266 L CA 0.534 55.369 54.840 -0.008 0.000 0.811 266 L CB -0.005 42.029 42.059 -0.042 0.000 0.989 266 L HN 0.636 nan 8.230 nan 0.000 0.467 267 E N -1.700 118.437 120.200 -0.106 0.000 2.366 267 E HA 0.396 4.746 4.350 -0.001 0.000 0.278 267 E C -1.776 174.723 176.600 -0.168 0.000 0.923 267 E CA -0.610 55.754 56.400 -0.060 0.000 0.761 267 E CB 2.179 31.903 29.700 0.040 0.000 1.231 267 E HN -0.084 nan 8.360 nan 0.000 0.443 268 Y N 1.052 121.513 120.300 0.268 0.000 2.352 268 Y HA 0.541 5.090 4.550 -0.001 0.000 0.339 268 Y C -0.107 175.965 175.900 0.285 0.000 0.992 268 Y CA -0.863 57.374 58.100 0.229 0.000 1.100 268 Y CB 1.382 39.999 38.460 0.261 0.000 1.192 268 Y HN 0.262 nan 8.280 nan 0.000 0.458 269 I N 4.023 124.785 120.570 0.320 0.000 2.466 269 I HA 0.335 4.504 4.170 -0.001 0.000 0.289 269 I C -1.453 174.902 176.117 0.397 0.000 1.026 269 I CA -0.900 60.620 61.300 0.366 0.000 1.078 269 I CB 1.800 39.983 38.000 0.304 0.000 1.249 269 I HN 0.547 nan 8.210 nan 0.000 0.429 270 Y N 6.303 126.804 120.300 0.335 0.000 2.442 270 Y HA 0.276 4.826 4.550 -0.001 0.000 0.330 270 Y C 0.307 176.360 175.900 0.255 0.000 1.100 270 Y CA -0.967 57.301 58.100 0.280 0.000 1.034 270 Y CB 1.263 39.909 38.460 0.310 0.000 1.285 270 Y HN 0.688 nan 8.280 nan 0.000 0.440 271 N N 4.475 122.889 118.700 -0.477 0.000 2.716 271 N HA -0.285 4.454 4.740 -0.001 0.000 0.250 271 N C -0.443 175.030 175.510 -0.062 0.000 1.033 271 N CA 1.678 54.542 53.050 -0.309 0.000 0.727 271 N CB -1.074 37.192 38.487 -0.369 0.000 0.950 271 N HN 0.844 nan 8.380 nan 0.000 0.541 272 N N -2.519 116.182 118.700 0.003 0.000 2.800 272 N HA -0.217 4.523 4.740 -0.001 0.000 0.250 272 N C -1.118 174.407 175.510 0.024 0.000 1.078 272 N CA 1.480 54.532 53.050 0.005 0.000 0.804 272 N CB -0.793 37.673 38.487 -0.035 0.000 1.135 272 N HN 0.685 nan 8.380 nan 0.000 0.565 273 K N 0.477 120.929 120.400 0.085 0.000 2.207 273 K HA 0.606 4.926 4.320 -0.001 0.000 0.255 273 K C -0.122 176.466 176.600 -0.020 0.000 0.941 273 K CA -0.667 55.621 56.287 0.002 0.000 0.825 273 K CB 2.492 34.997 32.500 0.007 0.000 1.119 273 K HN -0.192 nan 8.250 nan 0.000 0.430 274 V N 3.352 123.165 119.914 -0.168 0.000 2.394 274 V HA 0.317 4.436 4.120 -0.001 0.000 0.282 274 V C -1.054 174.867 176.094 -0.288 0.000 1.031 274 V CA -0.787 61.471 62.300 -0.070 0.000 0.881 274 V CB 0.271 32.089 31.823 -0.008 0.000 0.982 274 V HN 0.571 nan 8.190 nan 0.000 0.451 275 Y N 1.735 122.155 120.300 0.199 0.000 2.393 275 Y HA 0.437 4.987 4.550 -0.001 0.000 0.341 275 Y C 1.277 177.284 175.900 0.179 0.000 0.988 275 Y CA -0.823 57.404 58.100 0.211 0.000 1.078 275 Y CB 2.069 40.701 38.460 0.286 0.000 1.203 275 Y HN 0.695 nan 8.280 nan 0.000 0.453 276 T N -2.648 112.061 114.554 0.258 0.000 3.105 276 T HA 0.299 4.649 4.350 -0.001 0.000 0.253 276 T C 0.060 174.867 174.700 0.178 0.000 1.047 276 T CA 0.170 62.368 62.100 0.164 0.000 0.944 276 T CB -0.370 68.560 68.868 0.104 0.000 1.016 276 T HN 0.517 nan 8.240 nan 0.000 0.544 277 S N -0.930 114.934 115.700 0.274 0.000 2.565 277 S HA 0.742 5.212 4.470 -0.001 0.000 0.269 277 S C 1.071 175.889 174.600 0.364 0.000 1.153 277 S CA -0.507 57.855 58.200 0.271 0.000 0.835 277 S CB 1.153 64.457 63.200 0.174 0.000 1.122 277 S HN 0.179 nan 8.310 nan 0.000 0.462 278 A N 1.067 124.094 122.820 0.344 0.000 1.940 278 A HA -0.079 4.241 4.320 -0.001 0.000 0.219 278 A C 1.788 179.421 177.584 0.082 0.000 1.176 278 A CA 2.188 54.317 52.037 0.154 0.000 0.631 278 A CB -1.150 17.883 19.000 0.056 0.000 0.814 278 A HN 0.885 nan 8.150 nan 0.000 0.446 279 E N -0.394 119.861 120.200 0.091 0.000 2.077 279 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 279 E C 1.973 178.651 176.600 0.129 0.000 0.989 279 E CA 1.311 57.757 56.400 0.078 0.000 0.800 279 E CB -0.244 29.488 29.700 0.054 0.000 0.746 279 E HN 0.804 nan 8.360 nan 0.000 0.452 280 E N 0.080 120.377 120.200 0.161 0.000 2.085 280 E HA -0.219 4.131 4.350 -0.001 0.000 0.194 280 E C 1.923 178.627 176.600 0.173 0.000 0.994 280 E CA 0.939 57.464 56.400 0.208 0.000 0.801 280 E CB -0.043 29.833 29.700 0.293 0.000 0.743 280 E HN 0.168 nan 8.360 nan 0.000 0.453 281 L N 0.287 121.541 121.223 0.053 0.000 2.072 281 L HA -0.137 4.203 4.340 -0.001 0.000 0.205 281 L C 2.189 178.882 176.870 -0.295 0.000 1.079 281 L CA 1.791 56.417 54.840 -0.356 0.000 0.752 281 L CB -0.997 40.793 42.059 -0.449 0.000 0.906 281 L HN 0.258 nan 8.230 nan 0.000 0.436 282 Y N 0.555 120.706 120.300 -0.250 0.000 2.165 282 Y HA -0.294 4.255 4.550 -0.001 0.000 0.286 282 Y C 2.447 178.215 175.900 -0.221 0.000 1.155 282 Y CA 2.324 60.277 58.100 -0.245 0.000 1.164 282 Y CB -0.023 38.334 38.460 -0.170 0.000 0.978 282 Y HN 0.365 nan 8.280 nan 0.000 0.513 283 E N -0.248 119.933 120.200 -0.031 0.000 2.107 283 E HA -0.130 4.220 4.350 -0.001 0.000 0.191 283 E C 2.332 178.846 176.600 -0.143 0.000 0.982 283 E CA 0.887 57.250 56.400 -0.062 0.000 0.809 283 E CB -0.305 29.434 29.700 0.065 0.000 0.756 283 E HN 0.568 nan 8.360 nan 0.000 0.459 284 A N 0.678 123.424 122.820 -0.123 0.000 1.940 284 A HA -0.216 4.104 4.320 -0.001 0.000 0.219 284 A C 2.091 179.402 177.584 -0.455 0.000 1.176 284 A CA 1.445 53.424 52.037 -0.096 0.000 0.631 284 A CB -0.452 18.634 19.000 0.144 0.000 0.814 284 A HN 0.187 nan 8.150 nan 0.000 0.446 285 M N -0.794 118.297 119.600 -0.847 0.000 2.374 285 M HA -0.117 4.363 4.480 -0.001 0.000 0.264 285 M C 1.797 177.761 176.300 -0.559 0.000 1.067 285 M CA 0.824 55.435 55.300 -1.148 0.000 1.103 285 M CB -0.101 31.899 32.600 -1.000 0.000 1.402 285 M HN 0.316 nan 8.290 nan 0.000 0.444 286 Q N 0.594 120.135 119.800 -0.432 0.000 2.389 286 Q HA 0.113 4.453 4.340 -0.001 0.000 0.204 286 Q C 0.239 176.165 176.000 -0.124 0.000 0.944 286 Q CA 0.668 56.306 55.803 -0.275 0.000 0.908 286 Q CB -0.121 28.453 28.738 -0.274 0.000 1.002 286 Q HN 0.459 nan 8.270 nan 0.000 0.493 287 K N 1.328 121.683 120.400 -0.076 0.000 2.237 287 K HA 0.016 4.336 4.320 -0.001 0.000 0.270 287 K C 0.289 176.931 176.600 0.071 0.000 1.015 287 K CA -0.248 56.051 56.287 0.020 0.000 0.949 287 K CB 0.664 33.205 32.500 0.069 0.000 0.976 287 K HN -0.125 nan 8.250 nan 0.000 0.472 288 D N 1.462 121.899 120.400 0.062 0.000 2.264 288 D HA -0.144 4.496 4.640 -0.001 0.000 0.208 288 D C 1.056 177.415 176.300 0.097 0.000 0.966 288 D CA 1.171 55.213 54.000 0.069 0.000 0.864 288 D CB 0.059 40.886 40.800 0.045 0.000 0.933 288 D HN 0.580 nan 8.370 nan 0.000 0.499 289 D N -0.529 119.939 120.400 0.113 0.000 2.349 289 D HA -0.129 4.511 4.640 -0.001 0.000 0.224 289 D C 0.275 176.664 176.300 0.149 0.000 1.029 289 D CA -0.422 53.644 54.000 0.110 0.000 0.879 289 D CB -0.817 40.038 40.800 0.091 0.000 0.906 289 D HN 0.072 nan 8.370 nan 0.000 0.528 290 F N 1.572 121.551 119.950 0.048 0.000 2.472 290 F HA 0.252 4.778 4.527 -0.001 0.000 0.364 290 F C -0.130 175.719 175.800 0.081 0.000 1.090 290 F CA -0.717 57.325 58.000 0.070 0.000 1.188 290 F CB 0.957 39.984 39.000 0.044 0.000 1.105 290 F HN -0.304 nan 8.300 nan 0.000 0.536 291 V N 6.044 125.631 119.914 -0.546 0.000 2.385 291 V HA 0.202 4.321 4.120 -0.001 0.000 0.269 291 V C 0.099 175.939 176.094 -0.423 0.000 1.043 291 V CA -0.379 61.714 62.300 -0.345 0.000 0.906 291 V CB 0.978 32.666 31.823 -0.224 0.000 0.995 291 V HN 0.795 nan 8.190 nan 0.000 0.467 292 T N 7.104 121.639 114.554 -0.032 0.000 2.749 292 T HA 0.532 4.882 4.350 -0.001 0.000 0.287 292 T C 0.052 174.853 174.700 0.167 0.000 0.970 292 T CA -0.298 61.919 62.100 0.196 0.000 0.980 292 T CB 0.688 69.703 68.868 0.245 0.000 0.924 292 T HN 0.337 nan 8.240 nan 0.000 0.456 293 L N 4.674 126.026 121.223 0.215 0.000 2.452 293 L HA 0.288 4.628 4.340 -0.001 0.000 0.267 293 L C -1.764 175.242 176.870 0.227 0.000 1.188 293 L CA -2.027 52.908 54.840 0.158 0.000 0.821 293 L CB -0.161 41.925 42.059 0.046 0.000 1.102 293 L HN 0.355 nan 8.230 nan 0.000 0.470 294 P HA 0.014 nan 4.420 nan 0.000 0.264 294 P C -0.991 176.485 177.300 0.294 0.000 1.183 294 P CA 0.285 63.524 63.100 0.231 0.000 0.763 294 P CB 0.349 32.170 31.700 0.202 0.000 0.807 295 K N 2.496 123.024 120.400 0.214 0.000 2.098 295 K HA 0.382 4.702 4.320 -0.001 0.000 0.261 295 K C 0.350 177.080 176.600 0.216 0.000 0.987 295 K CA -0.844 55.570 56.287 0.211 0.000 0.916 295 K CB 0.712 33.296 32.500 0.140 0.000 1.039 295 K HN 0.379 nan 8.250 nan 0.000 0.455 296 I N 1.809 122.518 120.570 0.232 0.000 2.683 296 I HA -0.116 4.054 4.170 -0.001 0.000 0.286 296 I C 0.575 176.799 176.117 0.178 0.000 1.175 296 I CA 0.183 61.618 61.300 0.224 0.000 1.429 296 I CB 0.185 38.323 38.000 0.230 0.000 1.371 296 I HN 0.504 nan 8.210 nan 0.000 0.569 297 D N 6.713 127.226 120.400 0.190 0.000 2.441 297 D HA 0.031 4.671 4.640 -0.001 0.000 0.243 297 D C 1.066 177.475 176.300 0.180 0.000 1.257 297 D CA -0.157 53.944 54.000 0.167 0.000 1.027 297 D CB 0.741 41.639 40.800 0.165 0.000 1.084 297 D HN 0.381 nan 8.370 nan 0.000 0.514 298 V N 0.613 120.603 119.914 0.126 0.000 3.380 298 V HA -0.026 4.094 4.120 -0.001 0.000 0.268 298 V C 1.071 177.206 176.094 0.070 0.000 1.168 298 V CA 0.828 63.183 62.300 0.092 0.000 1.156 298 V CB -0.063 31.794 31.823 0.057 0.000 0.785 298 V HN 0.187 nan 8.190 nan 0.000 0.487 299 D N 1.113 121.561 120.400 0.080 0.000 2.355 299 D HA 0.054 4.694 4.640 -0.001 0.000 0.218 299 D C 0.258 176.607 176.300 0.082 0.000 1.004 299 D CA 0.600 54.638 54.000 0.064 0.000 0.880 299 D CB -0.041 40.794 40.800 0.058 0.000 0.911 299 D HN 0.547 nan 8.370 nan 0.000 0.528 300 N N 0.686 119.466 118.700 0.133 0.000 2.727 300 N HA 0.192 4.931 4.740 -0.001 0.000 0.252 300 N C -0.017 175.661 175.510 0.280 0.000 1.283 300 N CA -0.038 53.120 53.050 0.181 0.000 0.782 300 N CB 1.418 40.023 38.487 0.198 0.000 1.199 300 N HN 0.019 nan 8.380 nan 0.000 0.520 301 L N 0.009 121.277 121.223 0.075 0.000 3.066 301 L HA 0.246 4.585 4.340 -0.001 0.000 0.265 301 L C 0.762 177.417 176.870 -0.358 0.000 1.232 301 L CA -0.100 54.593 54.840 -0.244 0.000 1.031 301 L CB 0.458 42.361 42.059 -0.259 0.000 1.379 301 L HN 0.015 nan 8.230 nan 0.000 0.563 302 D N 0.894 121.254 120.400 -0.066 0.000 2.219 302 D HA -0.185 4.455 4.640 -0.001 0.000 0.205 302 D C 1.952 178.243 176.300 -0.015 0.000 0.970 302 D CA 0.914 54.896 54.000 -0.030 0.000 0.851 302 D CB 0.023 40.861 40.800 0.062 0.000 0.943 302 D HN 0.536 nan 8.370 nan 0.000 0.488 303 W N 1.658 122.962 121.300 0.007 0.000 2.538 303 W HA -0.075 4.585 4.660 -0.001 0.000 0.254 303 W C 1.051 177.562 176.519 -0.014 0.000 1.249 303 W CA 1.439 58.784 57.345 -0.000 0.000 1.253 303 W CB -1.545 27.916 29.460 0.002 0.000 1.130 303 W HN -0.003 nan 8.180 nan 0.000 0.618 304 T N -1.248 112.922 114.554 -0.640 0.000 3.107 304 T HA 0.215 4.565 4.350 -0.001 0.000 0.249 304 T C 0.518 175.151 174.700 -0.111 0.000 1.096 304 T CA -0.034 61.779 62.100 -0.479 0.000 1.012 304 T CB -0.420 67.998 68.868 -0.750 0.000 0.977 304 T HN -0.132 nan 8.240 nan 0.000 0.527 305 V N 2.227 122.085 119.914 -0.094 0.000 2.432 305 V HA 0.357 4.476 4.120 -0.001 0.000 0.275 305 V C 1.383 177.468 176.094 -0.016 0.000 1.043 305 V CA -0.579 61.701 62.300 -0.032 0.000 0.925 305 V CB 1.002 32.798 31.823 -0.044 0.000 0.985 305 V HN 0.356 nan 8.190 nan 0.000 0.466 306 I N 2.654 123.211 120.570 -0.022 0.000 2.277 306 I HA -0.056 4.114 4.170 -0.001 0.000 0.243 306 I C 1.626 177.710 176.117 -0.054 0.000 1.094 306 I CA 0.611 61.870 61.300 -0.069 0.000 1.393 306 I CB -0.114 37.812 38.000 -0.122 0.000 1.078 306 I HN 0.767 nan 8.210 nan 0.000 0.417 307 Q N 3.087 122.860 119.800 -0.045 0.000 2.443 307 Q HA 0.059 4.398 4.340 -0.001 0.000 0.232 307 Q C 0.109 176.091 176.000 -0.030 0.000 1.026 307 Q CA -0.403 55.373 55.803 -0.045 0.000 0.924 307 Q CB 0.641 29.349 28.738 -0.050 0.000 1.256 307 Q HN 0.258 nan 8.270 nan 0.000 0.519 308 R N 1.584 122.067 120.500 -0.028 0.000 2.585 308 R HA -0.066 4.274 4.340 -0.001 0.000 0.275 308 R C -0.101 176.192 176.300 -0.012 0.000 1.018 308 R CA -0.026 56.065 56.100 -0.016 0.000 1.072 308 R CB 0.314 30.605 30.300 -0.015 0.000 0.953 308 R HN 0.632 nan 8.270 nan 0.000 0.419 309 N N 3.111 121.809 118.700 -0.003 0.000 2.402 309 N HA -0.043 4.697 4.740 -0.001 0.000 0.252 309 N C -0.435 175.075 175.510 0.001 0.000 1.118 309 N CA 0.025 53.076 53.050 0.001 0.000 0.945 309 N CB 1.044 39.538 38.487 0.010 0.000 1.147 309 N HN 0.544 nan 8.380 nan 0.000 0.495 310 D N 1.029 121.428 120.400 -0.003 0.000 2.392 310 D HA -0.088 4.551 4.640 -0.001 0.000 0.228 310 D C 1.357 177.658 176.300 0.002 0.000 1.003 310 D CA 0.572 54.571 54.000 -0.002 0.000 0.917 310 D CB 0.208 41.004 40.800 -0.006 0.000 0.890 310 D HN 0.613 nan 8.370 nan 0.000 0.532 311 S N -1.055 114.648 115.700 0.005 0.000 2.548 311 S HA 0.264 4.734 4.470 -0.001 0.000 0.215 311 S C 0.991 175.597 174.600 0.010 0.000 0.976 311 S CA -0.250 57.954 58.200 0.007 0.000 0.908 311 S CB 0.211 63.416 63.200 0.009 0.000 0.781 311 S HN 0.133 nan 8.310 nan 0.000 0.519 312 A N 3.232 126.059 122.820 0.011 0.000 2.462 312 A HA 0.576 4.896 4.320 -0.001 0.000 0.243 312 A C -2.015 175.577 177.584 0.013 0.000 1.076 312 A CA -1.245 50.800 52.037 0.013 0.000 0.773 312 A CB -0.484 18.524 19.000 0.013 0.000 1.010 312 A HN 0.426 nan 8.150 nan 0.000 0.493 313 P HA 0.261 nan 4.420 nan 0.000 0.270 313 P C -0.580 176.732 177.300 0.020 0.000 1.223 313 P CA -0.239 62.871 63.100 0.017 0.000 0.785 313 P CB 0.416 32.126 31.700 0.017 0.000 0.923 314 V N 3.158 123.086 119.914 0.024 0.000 2.481 314 V HA 0.239 4.358 4.120 -0.001 0.000 0.286 314 V C 1.092 177.209 176.094 0.039 0.000 1.042 314 V CA -0.595 61.721 62.300 0.026 0.000 0.928 314 V CB 0.840 32.676 31.823 0.023 0.000 0.986 314 V HN 0.476 nan 8.190 nan 0.000 0.462 315 R N 2.275 122.798 120.500 0.040 0.000 2.694 315 R HA 0.149 4.489 4.340 -0.001 0.000 0.268 315 R C 0.547 176.902 176.300 0.091 0.000 1.061 315 R CA -0.512 55.625 56.100 0.061 0.000 1.133 315 R CB 0.277 30.606 30.300 0.048 0.000 1.020 315 R HN 0.772 nan 8.270 nan 0.000 0.475 316 H N 3.326 122.399 119.070 0.005 0.000 3.192 316 H HA -0.114 4.442 4.556 -0.001 0.000 0.295 316 H C 0.712 176.043 175.328 0.005 0.000 0.943 316 H CA 0.796 56.847 56.048 0.005 0.000 1.416 316 H CB 0.273 30.037 29.762 0.004 0.000 1.434 316 H HN 0.569 nan 8.280 nan 0.000 0.565 317 L N 3.439 124.494 121.223 -0.280 0.000 4.937 317 L HA -0.291 4.049 4.340 -0.001 0.000 0.422 317 L C 1.098 177.904 176.870 -0.106 0.000 1.059 317 L CA 0.893 55.578 54.840 -0.259 0.000 1.111 317 L CB -1.266 40.569 42.059 -0.374 0.000 2.033 317 L HN 0.581 nan 8.230 nan 0.000 0.708 318 D N 1.257 121.626 120.400 -0.050 0.000 2.363 318 D HA -0.054 4.586 4.640 -0.001 0.000 0.226 318 D C 1.407 177.699 176.300 -0.013 0.000 1.020 318 D CA 1.179 55.167 54.000 -0.020 0.000 0.892 318 D CB 0.095 40.896 40.800 0.001 0.000 0.900 318 D HN 0.665 nan 8.370 nan 0.000 0.531 319 D N -1.017 119.371 120.400 -0.020 0.000 2.328 319 D HA -0.034 4.605 4.640 -0.001 0.000 0.226 319 D C 0.174 176.463 176.300 -0.017 0.000 1.066 319 D CA -0.047 53.946 54.000 -0.012 0.000 0.861 319 D CB -0.145 40.651 40.800 -0.006 0.000 0.912 319 D HN 0.085 nan 8.370 nan 0.000 0.521 320 R N 0.541 121.025 120.500 -0.028 0.000 2.460 320 R HA 0.375 4.714 4.340 -0.001 0.000 0.303 320 R C 0.105 176.395 176.300 -0.017 0.000 0.968 320 R CA -0.792 55.293 56.100 -0.025 0.000 0.889 320 R CB 1.959 32.236 30.300 -0.039 0.000 1.123 320 R HN -0.106 nan 8.270 nan 0.000 0.455 321 K N 1.517 121.911 120.400 -0.010 0.000 2.436 321 K HA 0.022 4.341 4.320 -0.001 0.000 0.275 321 K C 0.436 177.026 176.600 -0.016 0.000 0.999 321 K CA 0.139 56.421 56.287 -0.007 0.000 0.980 321 K CB 0.682 33.179 32.500 -0.005 0.000 0.919 321 K HN 0.680 nan 8.250 nan 0.000 0.484 322 S N 2.939 118.628 115.700 -0.018 0.000 2.608 322 S HA 0.268 4.737 4.470 -0.001 0.000 0.261 322 S C -2.168 172.413 174.600 -0.032 0.000 1.314 322 S CA -1.354 56.832 58.200 -0.024 0.000 0.992 322 S CB 0.089 63.276 63.200 -0.022 0.000 0.935 322 S HN 0.340 nan 8.310 nan 0.000 0.564 323 P HA 0.305 nan 4.420 nan 0.000 0.269 323 P C -0.528 176.744 177.300 -0.045 0.000 1.217 323 P CA -0.258 62.825 63.100 -0.028 0.000 0.783 323 P CB 0.346 32.036 31.700 -0.017 0.000 0.898 324 R N 1.159 121.634 120.500 -0.042 0.000 2.621 324 R HA 0.468 4.808 4.340 -0.001 0.000 0.292 324 R C -0.938 175.336 176.300 -0.043 0.000 0.969 324 R CA -1.118 54.948 56.100 -0.056 0.000 0.887 324 R CB 1.635 31.904 30.300 -0.052 0.000 1.180 324 R HN 0.366 nan 8.270 nan 0.000 0.450 325 L N 3.501 124.692 121.223 -0.054 0.000 2.305 325 L HA 0.402 4.742 4.340 -0.001 0.000 0.281 325 L C -0.334 176.519 176.870 -0.029 0.000 1.085 325 L CA -0.227 54.593 54.840 -0.032 0.000 0.813 325 L CB 1.368 43.405 42.059 -0.038 0.000 1.157 325 L HN 0.462 nan 8.230 nan 0.000 0.436 326 V N 1.308 121.213 119.914 -0.015 0.000 3.102 326 V HA 0.651 4.771 4.120 -0.001 0.000 0.312 326 V C -0.648 175.442 176.094 -0.006 0.000 1.135 326 V CA -0.796 61.496 62.300 -0.015 0.000 1.022 326 V CB 2.055 33.864 31.823 -0.023 0.000 1.056 326 V HN 0.767 nan 8.190 nan 0.000 0.436 327 E N 2.679 122.876 120.200 -0.005 0.000 2.173 327 E HA 0.381 4.731 4.350 -0.001 0.000 0.249 327 E C -2.053 174.531 176.600 -0.027 0.000 0.923 327 E CA -1.597 54.802 56.400 -0.002 0.000 0.754 327 E CB 1.763 31.475 29.700 0.020 0.000 1.177 327 E HN 0.675 nan 8.360 nan 0.000 0.430 328 P HA -0.159 nan 4.420 nan 0.000 0.218 328 P C 0.173 177.436 177.300 -0.061 0.000 1.148 328 P CA 1.176 64.234 63.100 -0.069 0.000 0.822 328 P CB 0.328 31.959 31.700 -0.114 0.000 0.784 329 E N -0.676 119.489 120.200 -0.057 0.000 2.685 329 E HA 0.401 4.751 4.350 -0.001 0.000 0.208 329 E C 0.641 177.223 176.600 -0.030 0.000 0.996 329 E CA -0.116 56.257 56.400 -0.045 0.000 1.054 329 E CB 0.221 29.890 29.700 -0.052 0.000 1.075 329 E HN 0.126 nan 8.360 nan 0.000 0.460 330 G N 2.186 110.970 108.800 -0.027 0.000 2.698 330 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.225 330 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.225 330 G C -0.570 174.316 174.900 -0.024 0.000 1.345 330 G CA -0.678 44.403 45.100 -0.031 0.000 0.871 330 G HN 0.274 nan 8.290 nan 0.000 0.540 331 R N 0.338 120.797 120.500 -0.069 0.000 2.390 331 R HA 0.518 4.858 4.340 -0.001 0.000 0.291 331 R C 1.168 177.421 176.300 -0.078 0.000 1.070 331 R CA -0.321 55.703 56.100 -0.127 0.000 1.014 331 R CB 0.263 30.354 30.300 -0.347 0.000 1.007 331 R HN 0.584 nan 8.270 nan 0.000 0.466 332 R N 4.097 124.636 120.500 0.066 0.000 2.472 332 R HA 0.149 4.488 4.340 -0.001 0.000 0.279 332 R C -0.580 175.975 176.300 0.426 0.000 0.953 332 R CA -0.247 55.980 56.100 0.211 0.000 1.088 332 R CB 0.496 30.960 30.300 0.274 0.000 1.197 332 R HN 0.573 nan 8.270 nan 0.000 0.536 333 W N 0.201 121.696 121.300 0.325 0.000 2.719 333 W HA 0.817 5.477 4.660 -0.001 0.000 0.352 333 W C -1.139 175.539 176.519 0.266 0.000 1.085 333 W CA -1.425 56.126 57.345 0.343 0.000 1.187 333 W CB 0.758 30.395 29.460 0.296 0.000 1.417 333 W HN -0.224 nan 8.180 nan 0.000 0.557 334 A N 2.415 125.525 122.820 0.483 0.000 2.430 334 A HA 0.947 5.267 4.320 -0.001 0.000 0.300 334 A C -2.030 175.813 177.584 0.431 0.000 1.124 334 A CA -0.886 51.333 52.037 0.303 0.000 0.766 334 A CB 2.018 21.099 19.000 0.135 0.000 1.328 334 A HN 1.010 nan 8.150 nan 0.000 0.424 335 Y N -0.732 119.611 120.300 0.071 0.000 2.581 335 Y HA 0.677 5.226 4.550 -0.001 0.000 0.337 335 Y C -1.426 174.436 175.900 -0.065 0.000 1.108 335 Y CA -1.191 56.833 58.100 -0.126 0.000 1.033 335 Y CB 1.469 39.807 38.460 -0.203 0.000 1.318 335 Y HN 0.506 nan 8.280 nan 0.000 0.459 336 D N 1.599 121.918 120.400 -0.136 0.000 2.412 336 D HA 0.271 4.911 4.640 -0.001 0.000 0.224 336 D C 0.889 177.224 176.300 0.057 0.000 1.093 336 D CA 0.198 54.146 54.000 -0.087 0.000 0.850 336 D CB 1.705 42.524 40.800 0.032 0.000 1.046 336 D HN 0.975 nan 8.370 nan 0.000 0.507 337 G N 3.358 112.208 108.800 0.084 0.000 2.422 337 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.218 337 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.218 337 G C 1.150 176.204 174.900 0.256 0.000 1.146 337 G CA 0.333 45.644 45.100 0.352 0.000 0.769 337 G HN 0.445 nan 8.290 nan 0.000 0.547 338 D N 0.229 120.726 120.400 0.162 0.000 2.149 338 D HA -0.011 4.629 4.640 -0.001 0.000 0.201 338 D C 2.197 178.607 176.300 0.184 0.000 0.972 338 D CA 0.691 54.783 54.000 0.153 0.000 0.835 338 D CB 0.093 40.956 40.800 0.104 0.000 0.966 338 D HN 0.223 nan 8.370 nan 0.000 0.476 339 E N 0.299 120.616 120.200 0.196 0.000 2.476 339 E HA 0.035 4.385 4.350 -0.001 0.000 0.199 339 E C -0.131 176.679 176.600 0.351 0.000 1.021 339 E CA -0.044 56.518 56.400 0.271 0.000 0.907 339 E CB 0.373 30.246 29.700 0.289 0.000 0.974 339 E HN 0.335 nan 8.360 nan 0.000 0.489 340 E N 0.350 120.703 120.200 0.256 0.000 2.297 340 E HA -0.264 4.086 4.350 -0.001 0.000 0.228 340 E C -0.823 175.897 176.600 0.200 0.000 1.213 340 E CA 0.330 56.865 56.400 0.225 0.000 0.712 340 E CB -1.662 28.275 29.700 0.395 0.000 1.202 340 E HN 0.263 nan 8.360 nan 0.000 0.376 341 Y N 0.130 120.303 120.300 -0.211 0.000 2.360 341 Y HA 0.531 5.081 4.550 -0.000 0.000 0.337 341 Y C -0.625 174.858 175.900 -0.694 0.000 1.039 341 Y CA -0.885 56.972 58.100 -0.406 0.000 1.109 341 Y CB 0.782 38.983 38.460 -0.431 0.000 1.201 341 Y HN -0.031 nan 8.280 nan 0.000 0.458 342 F N 3.396 122.667 119.950 -1.132 0.000 2.540 342 F HA 0.561 5.088 4.527 -0.001 0.000 0.317 342 F C -0.333 174.831 175.800 -1.061 0.000 1.104 342 F CA -0.721 56.729 58.000 -0.917 0.000 0.913 342 F CB 2.221 40.534 39.000 -1.146 0.000 1.170 342 F HN 0.463 nan 8.300 nan 0.000 0.450 343 S N 1.910 117.461 115.700 -0.248 0.000 2.536 343 S HA 0.742 5.211 4.470 -0.001 0.000 0.287 343 S C -1.750 173.011 174.600 0.268 0.000 1.101 343 S CA -0.571 57.601 58.200 -0.047 0.000 0.950 343 S CB 1.753 64.981 63.200 0.047 0.000 1.056 343 S HN 0.774 nan 8.310 nan 0.000 0.481 344 W N 5.883 127.249 121.300 0.110 0.000 3.651 344 W HA 0.448 5.108 4.660 -0.001 0.000 0.322 344 W C -0.715 175.985 176.519 0.301 0.000 1.132 344 W CA -0.674 56.792 57.345 0.201 0.000 1.277 344 W CB 1.152 30.699 29.460 0.145 0.000 1.249 344 W HN 0.737 nan 8.180 nan 0.000 0.448 345 M N 6.643 126.009 119.600 -0.391 0.000 2.212 345 M HA -0.298 4.182 4.480 -0.001 0.000 0.193 345 M C 0.289 176.520 176.300 -0.114 0.000 0.493 345 M CA 2.041 57.047 55.300 -0.490 0.000 0.427 345 M CB -2.093 29.791 32.600 -1.193 0.000 1.120 345 M HN 0.748 nan 8.290 nan 0.000 0.929 346 D N -3.636 116.738 120.400 -0.044 0.000 2.911 346 D HA -0.207 4.433 4.640 -0.001 0.000 0.199 346 D C -0.217 176.090 176.300 0.012 0.000 1.041 346 D CA 1.643 55.571 54.000 -0.119 0.000 1.013 346 D CB -1.247 39.303 40.800 -0.417 0.000 1.093 346 D HN 0.729 nan 8.370 nan 0.000 0.431 347 W N 1.057 122.513 121.300 0.260 0.000 2.237 347 W HA 0.583 5.242 4.660 -0.001 0.000 0.335 347 W C 1.187 177.770 176.519 0.107 0.000 1.230 347 W CA 0.360 57.902 57.345 0.328 0.000 1.253 347 W CB 1.279 30.969 29.460 0.383 0.000 1.129 347 W HN 0.054 nan 8.180 nan 0.000 0.590 348 G N 1.718 110.743 108.800 0.375 0.000 2.667 348 G HA2 0.807 4.767 3.960 -0.001 0.000 0.298 348 G HA3 0.807 4.767 3.960 -0.001 0.000 0.298 348 G C -1.921 173.042 174.900 0.105 0.000 1.377 348 G CA -0.850 44.240 45.100 -0.017 0.000 0.964 348 G HN 0.565 nan 8.290 nan 0.000 0.493 349 F N -0.886 118.905 119.950 -0.265 0.000 2.770 349 F HA 0.709 5.235 4.527 -0.001 0.000 0.313 349 F C -2.144 173.589 175.800 -0.111 0.000 1.154 349 F CA -1.968 56.014 58.000 -0.030 0.000 0.923 349 F CB 1.067 40.112 39.000 0.075 0.000 1.301 349 F HN 0.454 nan 8.300 nan 0.000 0.449 350 Y N 0.570 121.173 120.300 0.505 0.000 2.420 350 Y HA 0.650 5.200 4.550 -0.000 0.000 0.334 350 Y C 0.545 176.672 175.900 0.377 0.000 1.094 350 Y CA -0.585 57.799 58.100 0.472 0.000 1.126 350 Y CB 2.171 40.926 38.460 0.492 0.000 1.217 350 Y HN 0.813 nan 8.280 nan 0.000 0.462 351 T N -1.424 113.395 114.554 0.441 0.000 2.945 351 T HA 0.744 5.094 4.350 -0.001 0.000 0.286 351 T C -0.423 174.365 174.700 0.146 0.000 1.025 351 T CA -0.809 61.312 62.100 0.036 0.000 1.039 351 T CB 1.827 70.538 68.868 -0.261 0.000 1.068 351 T HN 0.553 nan 8.240 nan 0.000 0.497 352 S N 0.630 116.326 115.700 -0.006 0.000 2.588 352 S HA 0.639 5.109 4.470 -0.001 0.000 0.275 352 S C -2.159 172.464 174.600 0.039 0.000 1.130 352 S CA -0.863 57.409 58.200 0.120 0.000 0.855 352 S CB 1.521 64.847 63.200 0.210 0.000 1.116 352 S HN 0.797 nan 8.310 nan 0.000 0.472 353 W N 3.371 124.611 121.300 -0.100 0.000 2.785 353 W HA 0.611 5.270 4.660 -0.001 0.000 0.333 353 W C -0.961 175.483 176.519 -0.124 0.000 1.062 353 W CA -0.534 56.711 57.345 -0.168 0.000 1.233 353 W CB 1.968 31.368 29.460 -0.100 0.000 1.413 353 W HN 0.866 nan 8.180 nan 0.000 0.489 354 S N 4.550 119.945 115.700 -0.509 0.000 2.570 354 S HA 0.352 4.822 4.470 -0.001 0.000 0.286 354 S C 0.745 175.087 174.600 -0.429 0.000 1.099 354 S CA -0.775 57.234 58.200 -0.318 0.000 0.913 354 S CB 2.653 65.678 63.200 -0.292 0.000 1.085 354 S HN 0.677 nan 8.310 nan 0.000 0.480 355 R N 0.918 121.280 120.500 -0.231 0.000 2.091 355 R HA -0.156 4.184 4.340 -0.001 0.000 0.238 355 R C 0.530 176.634 176.300 -0.326 0.000 1.136 355 R CA 2.341 58.299 56.100 -0.237 0.000 0.959 355 R CB -0.956 29.170 30.300 -0.289 0.000 0.856 355 R HN 0.803 nan 8.270 nan 0.000 0.437 356 D N -0.664 119.499 120.400 -0.395 0.000 2.097 356 D HA -0.098 4.542 4.640 -0.001 0.000 0.197 356 D C 1.707 177.821 176.300 -0.309 0.000 0.984 356 D CA 2.279 56.062 54.000 -0.361 0.000 0.826 356 D CB -0.052 40.525 40.800 -0.372 0.000 0.973 356 D HN 0.521 nan 8.370 nan 0.000 0.460 357 T N -3.961 110.355 114.554 -0.396 0.000 2.975 357 T HA 0.483 4.832 4.350 -0.001 0.000 0.257 357 T C 1.247 175.587 174.700 -0.598 0.000 1.003 357 T CA 0.616 62.465 62.100 -0.418 0.000 0.932 357 T CB 1.181 69.817 68.868 -0.387 0.000 1.087 357 T HN 0.258 nan 8.240 nan 0.000 0.512 358 G N 2.012 110.221 108.800 -0.985 0.000 2.527 358 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.262 358 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.262 358 G C -0.322 173.429 174.900 -1.916 0.000 1.153 358 G CA -0.199 43.702 45.100 -1.999 0.000 0.954 358 G HN 0.756 nan 8.290 nan 0.000 0.552 359 I N 2.176 121.698 120.570 -1.748 0.000 2.472 359 I HA 0.538 4.707 4.170 -0.001 0.000 0.290 359 I C 0.812 176.446 176.117 -0.805 0.000 1.016 359 I CA 0.352 61.013 61.300 -1.065 0.000 1.348 359 I CB 1.186 38.613 38.000 -0.955 0.000 1.417 359 I HN 1.004 nan 8.210 nan 0.000 0.521 360 S N 5.762 121.016 115.700 -0.743 0.000 2.599 360 S HA 0.658 5.128 4.470 -0.001 0.000 0.294 360 S C -0.956 173.108 174.600 -0.893 0.000 1.094 360 S CA -0.742 57.064 58.200 -0.657 0.000 0.931 360 S CB 1.634 64.596 63.200 -0.396 0.000 1.093 360 S HN 0.367 nan 8.310 nan 0.000 0.488 361 F N 0.690 120.271 119.950 -0.615 0.000 2.495 361 F HA 0.663 5.189 4.527 -0.001 0.000 0.327 361 F C -0.683 174.637 175.800 -0.799 0.000 1.103 361 F CA -0.664 57.014 58.000 -0.536 0.000 0.949 361 F CB 1.438 40.095 39.000 -0.572 0.000 1.142 361 F HN 0.588 nan 8.300 nan 0.000 0.457 362 Y N -0.016 120.121 120.300 -0.273 0.000 2.512 362 Y HA 0.332 4.882 4.550 -0.000 0.000 0.348 362 Y C -0.116 175.615 175.900 -0.280 0.000 0.990 362 Y CA -1.520 56.150 58.100 -0.716 0.000 1.033 362 Y CB 1.750 39.097 38.460 -1.854 0.000 1.259 362 Y HN 0.650 nan 8.280 nan 0.000 0.461 363 D N 1.478 121.805 120.400 -0.122 0.000 2.689 363 D HA -0.202 4.437 4.640 -0.001 0.000 0.237 363 D C -0.910 175.599 176.300 0.348 0.000 1.148 363 D CA 0.577 54.720 54.000 0.239 0.000 0.656 363 D CB -0.733 40.372 40.800 0.508 0.000 1.050 363 D HN 0.481 nan 8.370 nan 0.000 0.426 364 I N 1.115 121.842 120.570 0.261 0.000 2.494 364 I HA 0.086 4.255 4.170 -0.001 0.000 0.289 364 I C 1.275 177.618 176.117 0.376 0.000 1.106 364 I CA 0.359 61.881 61.300 0.370 0.000 1.369 364 I CB 0.362 38.533 38.000 0.285 0.000 1.410 364 I HN 0.192 nan 8.210 nan 0.000 0.523 365 T N 3.572 118.386 114.554 0.434 0.000 2.912 365 T HA 0.647 4.996 4.350 -0.001 0.000 0.288 365 T C -0.824 174.090 174.700 0.357 0.000 1.030 365 T CA -0.745 61.562 62.100 0.345 0.000 1.020 365 T CB 2.193 71.237 68.868 0.292 0.000 1.056 365 T HN 0.334 nan 8.240 nan 0.000 0.480 366 F N 1.647 121.593 119.950 -0.007 0.000 2.561 366 F HA 0.502 5.028 4.527 -0.001 0.000 0.313 366 F C 0.282 176.070 175.800 -0.020 0.000 1.126 366 F CA -0.934 56.913 58.000 -0.253 0.000 0.918 366 F CB 1.543 40.128 39.000 -0.692 0.000 1.199 366 F HN 0.861 nan 8.300 nan 0.000 0.444 367 K N 4.624 124.591 120.400 -0.722 0.000 3.071 367 K HA -0.219 4.100 4.320 -0.001 0.000 0.262 367 K C 0.756 177.283 176.600 -0.121 0.000 0.977 367 K CA 0.945 56.953 56.287 -0.464 0.000 0.721 367 K CB -1.608 30.550 32.500 -0.569 0.000 1.293 367 K HN 1.337 nan 8.250 nan 0.000 0.475 368 G N -0.272 108.505 108.800 -0.039 0.000 2.159 368 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.256 368 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.256 368 G C -0.286 174.671 174.900 0.095 0.000 0.977 368 G CA 0.653 45.777 45.100 0.039 0.000 0.652 368 G HN 0.493 nan 8.290 nan 0.000 0.531 369 E N -0.241 120.043 120.200 0.140 0.000 2.224 369 E HA 0.391 4.740 4.350 -0.001 0.000 0.265 369 E C 0.210 176.938 176.600 0.213 0.000 0.878 369 E CA -0.988 55.521 56.400 0.182 0.000 0.759 369 E CB 1.644 31.482 29.700 0.230 0.000 1.164 369 E HN 0.316 nan 8.360 nan 0.000 0.414 370 R N 3.507 124.127 120.500 0.200 0.000 2.484 370 R HA 0.074 4.414 4.340 -0.001 0.000 0.293 370 R C 0.292 176.687 176.300 0.157 0.000 1.023 370 R CA 0.430 56.652 56.100 0.203 0.000 1.037 370 R CB 0.315 30.743 30.300 0.213 0.000 0.951 370 R HN 0.641 nan 8.270 nan 0.000 0.418 371 I N 3.650 124.280 120.570 0.099 0.000 3.616 371 I HA 0.067 4.237 4.170 -0.001 0.000 0.296 371 I C -0.307 175.763 176.117 -0.078 0.000 1.226 371 I CA 0.155 61.408 61.300 -0.077 0.000 1.394 371 I CB 0.925 38.726 38.000 -0.332 0.000 1.171 371 I HN 0.267 nan 8.210 nan 0.000 0.442 372 V N 0.263 120.183 119.914 0.011 0.000 2.525 372 V HA 0.137 4.256 4.120 -0.001 0.000 0.299 372 V C 0.211 176.344 176.094 0.064 0.000 1.034 372 V CA -0.647 61.654 62.300 0.003 0.000 0.863 372 V CB 1.818 33.605 31.823 -0.059 0.000 0.999 372 V HN 0.149 nan 8.190 nan 0.000 0.423 373 Y N 3.819 124.111 120.300 -0.014 0.000 2.163 373 Y HA 0.081 4.631 4.550 -0.000 0.000 0.288 373 Y C 1.050 176.910 175.900 -0.067 0.000 1.136 373 Y CA 1.942 60.053 58.100 0.018 0.000 1.147 373 Y CB 0.491 38.968 38.460 0.029 0.000 0.987 373 Y HN 0.669 nan 8.280 nan 0.000 0.509 374 E N 0.441 120.476 120.200 -0.275 0.000 2.278 374 E HA 0.403 4.753 4.350 -0.001 0.000 0.272 374 E C -2.294 174.088 176.600 -0.363 0.000 0.890 374 E CA -0.924 55.128 56.400 -0.580 0.000 0.770 374 E CB 1.485 30.970 29.700 -0.359 0.000 1.212 374 E HN 0.158 nan 8.360 nan 0.000 0.415 375 L N 4.067 125.044 121.223 -0.411 0.000 2.343 375 L HA 0.600 4.940 4.340 -0.001 0.000 0.278 375 L C -1.685 175.076 176.870 -0.182 0.000 0.996 375 L CA -0.183 54.537 54.840 -0.201 0.000 0.831 375 L CB 1.656 43.622 42.059 -0.155 0.000 1.232 375 L HN 0.531 nan 8.230 nan 0.000 0.413 376 S N 4.472 120.113 115.700 -0.099 0.000 2.668 376 S HA 0.492 4.961 4.470 -0.001 0.000 0.277 376 S C -0.816 173.742 174.600 -0.070 0.000 1.170 376 S CA -0.827 57.295 58.200 -0.130 0.000 0.994 376 S CB 1.178 64.242 63.200 -0.227 0.000 1.051 376 S HN 0.766 nan 8.310 nan 0.000 0.484 377 L N 3.046 124.193 121.223 -0.126 0.000 2.578 377 L HA 0.223 4.563 4.340 -0.001 0.000 0.279 377 L C 1.066 177.714 176.870 -0.370 0.000 1.227 377 L CA 1.116 55.687 54.840 -0.447 0.000 0.900 377 L CB 0.188 41.936 42.059 -0.519 0.000 1.144 377 L HN 0.857 nan 8.230 nan 0.000 0.496 378 Q N 2.390 121.944 119.800 -0.409 0.000 2.471 378 Q HA 0.251 4.591 4.340 -0.001 0.000 0.241 378 Q C -0.158 175.622 176.000 -0.366 0.000 0.886 378 Q CA 0.337 55.946 55.803 -0.323 0.000 0.953 378 Q CB 0.856 29.430 28.738 -0.274 0.000 1.108 378 Q HN 0.748 nan 8.270 nan 0.000 0.575 379 E N -0.460 119.467 120.200 -0.456 0.000 2.388 379 E HA 0.515 4.864 4.350 -0.001 0.000 0.281 379 E C -2.199 174.269 176.600 -0.220 0.000 1.046 379 E CA -0.339 55.876 56.400 -0.309 0.000 0.825 379 E CB 1.409 30.921 29.700 -0.312 0.000 1.243 379 E HN 0.022 nan 8.360 nan 0.000 0.438 380 L N 4.846 126.064 121.223 -0.010 0.000 2.409 380 L HA 0.711 5.051 4.340 -0.001 0.000 0.272 380 L C -1.125 175.904 176.870 0.265 0.000 0.980 380 L CA -0.658 54.234 54.840 0.087 0.000 0.826 380 L CB 1.013 43.010 42.059 -0.103 0.000 1.268 380 L HN 0.721 nan 8.230 nan 0.000 0.407 381 I N 2.015 122.812 120.570 0.378 0.000 2.797 381 I HA 0.969 5.139 4.170 -0.001 0.000 0.307 381 I C -0.767 175.547 176.117 0.327 0.000 1.033 381 I CA -0.778 60.767 61.300 0.408 0.000 1.071 381 I CB 2.263 40.549 38.000 0.476 0.000 1.255 381 I HN 0.626 nan 8.210 nan 0.000 0.445 382 A N 3.554 126.566 122.820 0.320 0.000 2.457 382 A HA 0.519 4.839 4.320 -0.001 0.000 0.283 382 A C -0.900 176.686 177.584 0.005 0.000 1.166 382 A CA -0.407 51.718 52.037 0.147 0.000 0.740 382 A CB 0.945 20.176 19.000 0.385 0.000 1.181 382 A HN 0.836 nan 8.150 nan 0.000 0.446 383 E N 2.687 122.681 120.200 -0.342 0.000 2.155 383 E HA 0.533 4.883 4.350 -0.001 0.000 0.264 383 E C -1.596 174.742 176.600 -0.436 0.000 0.886 383 E CA -0.364 55.696 56.400 -0.566 0.000 0.752 383 E CB 0.846 29.887 29.700 -1.098 0.000 1.133 383 E HN 0.604 nan 8.360 nan 0.000 0.414 384 Y N 1.201 121.311 120.300 -0.317 0.000 2.387 384 Y HA 0.554 5.104 4.550 -0.001 0.000 0.330 384 Y C 0.858 176.622 175.900 -0.227 0.000 1.133 384 Y CA -0.394 57.584 58.100 -0.205 0.000 1.152 384 Y CB 2.105 40.472 38.460 -0.154 0.000 1.215 384 Y HN 0.554 nan 8.280 nan 0.000 0.466 385 G N 0.638 109.424 108.800 -0.024 0.000 2.415 385 G HA2 0.538 4.497 3.960 -0.001 0.000 0.327 385 G HA3 0.538 4.497 3.960 -0.001 0.000 0.327 385 G C -1.104 173.828 174.900 0.053 0.000 1.182 385 G CA -0.483 44.626 45.100 0.016 0.000 0.924 385 G HN 0.565 nan 8.290 nan 0.000 0.470 386 S N -0.175 115.315 115.700 -0.350 0.000 2.588 386 S HA 0.383 4.852 4.470 -0.001 0.000 0.269 386 S C 0.166 173.994 174.600 -1.287 0.000 1.157 386 S CA -0.153 57.688 58.200 -0.599 0.000 0.824 386 S CB 1.683 64.721 63.200 -0.271 0.000 1.126 386 S HN 0.687 nan 8.310 nan 0.000 0.464 387 D N 0.952 120.746 120.400 -1.011 0.000 2.323 387 D HA 0.036 4.676 4.640 -0.001 0.000 0.209 387 D C 0.276 176.301 176.300 -0.457 0.000 0.973 387 D CA 0.394 53.994 54.000 -0.667 0.000 0.874 387 D CB -0.449 40.193 40.800 -0.262 0.000 0.930 387 D HN 0.602 nan 8.370 nan 0.000 0.521 388 D N -0.031 120.100 120.400 -0.449 0.000 2.217 388 D HA 0.188 4.828 4.640 -0.001 0.000 0.248 388 D C -1.911 173.990 176.300 -0.664 0.000 1.008 388 D CA -2.073 51.570 54.000 -0.595 0.000 0.914 388 D CB 1.837 42.270 40.800 -0.611 0.000 1.182 388 D HN -0.234 nan 8.370 nan 0.000 0.451 389 P HA 0.005 nan 4.420 nan 0.000 0.237 389 P C 0.769 177.870 177.300 -0.332 0.000 1.178 389 P CA 0.330 63.071 63.100 -0.598 0.000 0.766 389 P CB 0.011 31.392 31.700 -0.531 0.000 0.876 390 F N 1.807 121.503 119.950 -0.424 0.000 2.104 390 F HA 0.016 4.542 4.527 -0.001 0.000 0.288 390 F C 1.947 177.646 175.800 -0.169 0.000 1.107 390 F CA 1.291 59.215 58.000 -0.127 0.000 1.208 390 F CB -0.708 38.348 39.000 0.094 0.000 1.033 390 F HN -0.237 nan 8.300 nan 0.000 0.478 391 N N 0.363 119.057 118.700 -0.011 0.000 2.166 391 N HA -0.194 4.546 4.740 -0.001 0.000 0.186 391 N C 1.689 177.042 175.510 -0.262 0.000 1.019 391 N CA 1.180 54.142 53.050 -0.147 0.000 0.856 391 N CB -0.656 37.833 38.487 0.003 0.000 0.993 391 N HN 0.319 nan 8.380 nan 0.000 0.426 392 Q N 0.538 120.108 119.800 -0.382 0.000 2.291 392 Q HA -0.068 4.271 4.340 -0.001 0.000 0.205 392 Q C 0.322 175.953 176.000 -0.614 0.000 0.970 392 Q CA 1.510 57.006 55.803 -0.510 0.000 0.876 392 Q CB -0.266 28.078 28.738 -0.657 0.000 0.935 392 Q HN 0.574 nan 8.270 nan 0.000 0.455 393 H N -1.425 117.419 119.070 -0.376 0.000 2.507 393 H HA 0.314 4.870 4.556 -0.001 0.000 0.294 393 H C -0.659 174.459 175.328 -0.349 0.000 1.064 393 H CA 0.024 55.870 56.048 -0.337 0.000 1.138 393 H CB 0.622 30.156 29.762 -0.380 0.000 1.515 393 H HN -0.065 nan 8.280 nan 0.000 0.547 394 T N 1.260 115.623 114.554 -0.318 0.000 2.743 394 T HA 0.232 4.581 4.350 -0.001 0.000 0.292 394 T C -0.794 173.775 174.700 -0.218 0.000 0.972 394 T CA -0.344 61.478 62.100 -0.463 0.000 0.967 394 T CB 0.352 68.796 68.868 -0.708 0.000 0.926 394 T HN 0.326 nan 8.240 nan 0.000 0.459 395 F N 4.341 124.080 119.950 -0.351 0.000 2.872 395 F HA 0.356 4.882 4.527 -0.000 0.000 0.365 395 F C -0.863 174.897 175.800 -0.067 0.000 1.296 395 F CA -1.227 56.678 58.000 -0.158 0.000 1.199 395 F CB 0.494 39.425 39.000 -0.116 0.000 1.687 395 F HN 0.581 nan 8.300 nan 0.000 0.604 396 Y N 1.892 122.457 120.300 0.441 0.000 2.511 396 Y HA 0.109 4.659 4.550 -0.001 0.000 0.332 396 Y C 0.889 177.022 175.900 0.388 0.000 1.177 396 Y CA -0.034 58.302 58.100 0.392 0.000 1.422 396 Y CB 1.106 39.776 38.460 0.351 0.000 1.271 396 Y HN 0.350 nan 8.280 nan 0.000 0.550 397 S N 2.529 118.527 115.700 0.497 0.000 2.461 397 S HA 0.156 4.625 4.470 -0.001 0.000 0.322 397 S C 0.270 175.099 174.600 0.381 0.000 1.063 397 S CA -0.930 57.472 58.200 0.338 0.000 1.120 397 S CB 0.375 63.675 63.200 0.167 0.000 0.968 397 S HN 0.652 nan 8.310 nan 0.000 0.467 398 D N 3.817 124.412 120.400 0.325 0.000 2.269 398 D HA -0.050 4.590 4.640 -0.001 0.000 0.208 398 D C 1.803 178.224 176.300 0.202 0.000 0.963 398 D CA 1.116 55.298 54.000 0.303 0.000 0.864 398 D CB -0.068 40.839 40.800 0.178 0.000 0.936 398 D HN 0.850 nan 8.370 nan 0.000 0.505 399 I N -0.665 119.959 120.570 0.089 0.000 2.676 399 I HA -0.147 4.022 4.170 -0.001 0.000 0.259 399 I C 2.156 178.262 176.117 -0.019 0.000 1.194 399 I CA 0.905 62.194 61.300 -0.018 0.000 1.473 399 I CB -0.366 37.571 38.000 -0.105 0.000 1.096 399 I HN -0.148 nan 8.210 nan 0.000 0.443 400 S N 1.365 117.086 115.700 0.035 0.000 2.368 400 S HA -0.225 4.245 4.470 -0.001 0.000 0.225 400 S C 1.996 176.614 174.600 0.030 0.000 1.030 400 S CA 1.161 59.374 58.200 0.023 0.000 0.999 400 S CB -1.191 61.972 63.200 -0.061 0.000 0.844 400 S HN 0.654 nan 8.310 nan 0.000 0.459 401 Y N 2.532 122.937 120.300 0.175 0.000 2.314 401 Y HA 0.314 4.864 4.550 -0.000 0.000 0.293 401 Y C 1.665 177.633 175.900 0.112 0.000 1.129 401 Y CA 0.497 58.694 58.100 0.163 0.000 1.201 401 Y CB -0.614 37.909 38.460 0.105 0.000 0.999 401 Y HN 0.630 nan 8.280 nan 0.000 0.541 402 G N -0.632 108.267 108.800 0.164 0.000 3.225 402 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.686 402 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.686 402 G C -0.083 174.850 174.900 0.056 0.000 1.105 402 G CA -0.353 44.763 45.100 0.027 0.000 0.831 402 G HN -0.015 nan 8.290 nan 0.000 0.578 403 V N 1.841 121.750 119.914 -0.009 0.000 3.125 403 V HA 0.303 4.423 4.120 -0.001 0.000 0.249 403 V C 2.367 178.517 176.094 0.093 0.000 1.113 403 V CA 2.137 64.474 62.300 0.062 0.000 1.106 403 V CB 0.590 32.412 31.823 -0.001 0.000 0.768 403 V HN 1.422 nan 8.190 nan 0.000 0.468 404 G N 1.459 110.214 108.800 -0.075 0.000 3.337 404 G HA2 0.009 3.969 3.960 -0.001 0.000 0.246 404 G HA3 0.009 3.969 3.960 -0.001 0.000 0.246 404 G C 0.496 175.558 174.900 0.271 0.000 1.131 404 G CA 0.200 45.261 45.100 -0.064 0.000 0.773 404 G HN 0.618 nan 8.290 nan 0.000 0.544 405 N N -0.347 118.422 118.700 0.116 0.000 2.480 405 N HA 0.228 4.967 4.740 -0.001 0.000 0.281 405 N C 0.570 176.053 175.510 -0.044 0.000 1.381 405 N CA -0.588 52.478 53.050 0.027 0.000 0.903 405 N CB 0.590 39.032 38.487 -0.075 0.000 1.274 405 N HN 0.010 nan 8.380 nan 0.000 0.505 406 R N -0.055 120.438 120.500 -0.012 0.000 2.893 406 R HA 0.555 4.895 4.340 -0.001 0.000 0.159 406 R C -0.024 176.164 176.300 -0.187 0.000 1.366 406 R CA -0.326 55.561 56.100 -0.355 0.000 0.929 406 R CB -0.406 29.727 30.300 -0.278 0.000 1.796 406 R HN 0.096 nan 8.270 nan 0.000 0.464 407 F N -0.078 120.027 119.950 0.259 0.000 2.572 407 F HA 0.400 4.926 4.527 -0.000 0.000 0.342 407 F C 0.915 176.866 175.800 0.253 0.000 1.064 407 F CA -1.037 57.097 58.000 0.224 0.000 1.008 407 F CB 1.204 40.276 39.000 0.119 0.000 1.303 407 F HN 0.070 nan 8.300 nan 0.000 0.492 408 S N 0.892 116.866 115.700 0.457 0.000 2.593 408 S HA 0.363 4.832 4.470 -0.001 0.000 0.269 408 S C -0.291 174.602 174.600 0.488 0.000 1.334 408 S CA -0.719 57.715 58.200 0.390 0.000 1.015 408 S CB 0.526 63.892 63.200 0.277 0.000 0.912 408 S HN 0.289 nan 8.310 nan 0.000 0.541 409 L N 1.784 123.241 121.223 0.391 0.000 2.417 409 L HA 0.271 4.611 4.340 -0.001 0.000 0.268 409 L C -0.389 176.579 176.870 0.164 0.000 1.158 409 L CA -0.598 54.431 54.840 0.316 0.000 0.819 409 L CB 0.453 42.751 42.059 0.397 0.000 1.112 409 L HN 0.306 nan 8.230 nan 0.000 0.458 410 V N 4.345 124.244 119.914 -0.025 0.000 2.353 410 V HA 0.178 4.298 4.120 -0.001 0.000 0.264 410 V C -1.966 174.135 176.094 0.013 0.000 1.049 410 V CA -1.635 60.498 62.300 -0.279 0.000 0.896 410 V CB 0.615 32.211 31.823 -0.379 0.000 1.025 410 V HN 0.603 nan 8.190 nan 0.000 0.475 411 P HA 0.183 nan 4.420 nan 0.000 0.266 411 P C 1.143 178.471 177.300 0.047 0.000 1.195 411 P CA 1.313 64.393 63.100 -0.033 0.000 0.768 411 P CB 0.692 32.225 31.700 -0.278 0.000 0.838 412 G N 1.050 109.836 108.800 -0.022 0.000 2.347 412 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.247 412 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.247 412 G C 0.722 175.457 174.900 -0.275 0.000 1.037 412 G CA 0.374 45.384 45.100 -0.150 0.000 0.622 412 G HN 0.513 nan 8.290 nan 0.000 0.521 413 Y N -0.038 120.275 120.300 0.023 0.000 2.576 413 Y HA 0.263 4.813 4.550 -0.001 0.000 0.282 413 Y C 2.481 178.376 175.900 -0.008 0.000 1.139 413 Y CA 0.879 58.985 58.100 0.009 0.000 1.265 413 Y CB 0.068 38.539 38.460 0.018 0.000 1.376 413 Y HN 0.128 nan 8.280 nan 0.000 0.511 414 D N -0.549 119.961 120.400 0.184 0.000 2.183 414 D HA -0.027 4.613 4.640 -0.001 0.000 0.203 414 D C 0.007 176.333 176.300 0.045 0.000 0.969 414 D CA 1.003 55.075 54.000 0.119 0.000 0.842 414 D CB 0.061 40.955 40.800 0.157 0.000 0.957 414 D HN 0.123 nan 8.370 nan 0.000 0.484 415 c N -0.158 118.446 118.600 0.007 0.000 2.898 415 c HA 0.425 4.995 4.570 -0.001 0.000 0.304 415 c C -2.368 171.538 174.090 -0.307 0.000 1.237 415 c CA -1.627 54.578 56.329 -0.206 0.000 1.529 415 c CB 2.060 44.529 42.510 -0.070 0.000 2.021 415 c HN 0.038 nan 8.230 nan 0.000 0.474 416 P HA 0.070 nan 4.420 nan 0.000 0.268 416 P C 0.650 177.810 177.300 -0.232 0.000 1.208 416 P CA 0.309 63.161 63.100 -0.414 0.000 0.777 416 P CB 0.492 31.872 31.700 -0.533 0.000 0.875 417 S N -0.280 115.322 115.700 -0.164 0.000 2.469 417 S HA -0.147 4.322 4.470 -0.001 0.000 0.238 417 S C 1.438 176.011 174.600 -0.045 0.000 0.998 417 S CA 1.595 59.734 58.200 -0.102 0.000 0.957 417 S CB -1.618 61.510 63.200 -0.119 0.000 0.764 417 S HN 0.614 nan 8.310 nan 0.000 0.514 418 T N -0.413 114.115 114.554 -0.043 0.000 3.160 418 T HA 0.476 4.826 4.350 -0.001 0.000 0.257 418 T C 0.730 175.496 174.700 0.111 0.000 1.147 418 T CA 0.247 62.368 62.100 0.036 0.000 1.064 418 T CB -0.497 68.410 68.868 0.065 0.000 0.949 418 T HN 0.589 nan 8.240 nan 0.000 0.526 419 A N 0.927 123.765 122.820 0.030 0.000 2.445 419 A HA 0.618 4.938 4.320 -0.001 0.000 0.242 419 A C 0.852 178.426 177.584 -0.016 0.000 1.075 419 A CA -0.168 51.876 52.037 0.010 0.000 0.777 419 A CB -0.142 18.695 19.000 -0.272 0.000 1.013 419 A HN 0.559 nan 8.150 nan 0.000 0.493 420 G N -0.254 108.631 108.800 0.141 0.000 2.389 420 G HA2 0.540 4.500 3.960 -0.001 0.000 0.317 420 G HA3 0.540 4.500 3.960 -0.001 0.000 0.317 420 G C -1.039 173.642 174.900 -0.366 0.000 1.137 420 G CA -0.275 44.851 45.100 0.044 0.000 0.870 420 G HN 0.551 nan 8.290 nan 0.000 0.496 421 Y N -0.185 119.905 120.300 -0.349 0.000 2.429 421 Y HA 0.639 5.188 4.550 -0.001 0.000 0.342 421 Y C -0.455 174.901 175.900 -0.907 0.000 1.004 421 Y CA -0.517 57.362 58.100 -0.367 0.000 1.075 421 Y CB 2.430 40.783 38.460 -0.179 0.000 1.214 421 Y HN 0.413 nan 8.280 nan 0.000 0.455 422 F N 0.040 119.843 119.950 -0.246 0.000 2.563 422 F HA 0.544 5.071 4.527 -0.001 0.000 0.316 422 F C -0.058 175.558 175.800 -0.307 0.000 1.076 422 F CA -0.958 56.804 58.000 -0.396 0.000 0.921 422 F CB 2.171 40.625 39.000 -0.911 0.000 1.209 422 F HN 0.238 nan 8.300 nan 0.000 0.462 423 T N 1.195 115.743 114.554 -0.010 0.000 2.829 423 T HA 0.624 4.974 4.350 -0.001 0.000 0.282 423 T C -0.028 174.653 174.700 -0.033 0.000 0.990 423 T CA -0.576 61.509 62.100 -0.025 0.000 1.028 423 T CB 1.294 70.183 68.868 0.035 0.000 0.951 423 T HN 0.751 nan 8.240 nan 0.000 0.460 424 T N -0.183 114.255 114.554 -0.193 0.000 2.831 424 T HA 0.838 5.188 4.350 -0.001 0.000 0.287 424 T C -1.602 172.968 174.700 -0.216 0.000 1.070 424 T CA -1.045 60.886 62.100 -0.280 0.000 1.010 424 T CB 1.823 70.117 68.868 -0.956 0.000 1.264 424 T HN 0.648 nan 8.240 nan 0.000 0.532 425 D N -1.307 118.994 120.400 -0.165 0.000 2.599 425 D HA 0.657 5.297 4.640 -0.001 0.000 0.252 425 D C -0.870 175.375 176.300 -0.092 0.000 1.232 425 D CA -0.669 53.220 54.000 -0.185 0.000 0.819 425 D CB 1.623 42.253 40.800 -0.284 0.000 1.401 425 D HN 0.926 nan 8.370 nan 0.000 0.429 426 T N -3.085 111.366 114.554 -0.173 0.000 2.816 426 T HA 0.649 4.998 4.350 -0.001 0.000 0.299 426 T C -1.589 173.136 174.700 0.042 0.000 1.230 426 T CA -1.016 61.082 62.100 -0.004 0.000 1.007 426 T CB 1.274 70.166 68.868 0.040 0.000 1.289 426 T HN 0.502 nan 8.240 nan 0.000 0.508 427 F N 0.593 120.591 119.950 0.080 0.000 2.518 427 F HA 0.698 5.225 4.527 0.000 0.000 0.323 427 F C -0.752 175.234 175.800 0.310 0.000 1.129 427 F CA -0.466 57.679 58.000 0.241 0.000 0.920 427 F CB 1.488 40.651 39.000 0.271 0.000 1.160 427 F HN 0.752 nan 8.300 nan 0.000 0.440 428 E N 5.234 125.231 120.200 -0.339 0.000 2.290 428 E HA 0.228 4.578 4.350 -0.001 0.000 0.274 428 E C -1.519 174.905 176.600 -0.292 0.000 0.889 428 E CA -1.061 55.213 56.400 -0.211 0.000 0.760 428 E CB 1.963 31.726 29.700 0.106 0.000 1.206 428 E HN 0.679 nan 8.360 nan 0.000 0.419 429 Y N 2.089 122.264 120.300 -0.208 0.000 2.988 429 Y HA -0.297 4.253 4.550 -0.000 0.000 0.193 429 Y C 0.108 175.951 175.900 -0.094 0.000 1.388 429 Y CA 1.078 59.144 58.100 -0.058 0.000 0.904 429 Y CB -1.925 36.544 38.460 0.015 0.000 1.297 429 Y HN 0.777 nan 8.280 nan 0.000 0.432 430 D N -1.843 118.558 120.400 0.000 0.000 2.946 430 D HA -0.209 4.430 4.640 -0.001 0.000 0.202 430 D C -0.007 176.382 176.300 0.148 0.000 1.068 430 D CA 1.583 55.728 54.000 0.240 0.000 1.011 430 D CB -0.686 40.259 40.800 0.243 0.000 1.105 430 D HN 0.781 nan 8.370 nan 0.000 0.425 431 E N -0.620 119.476 120.200 -0.174 0.000 2.234 431 E HA 0.456 4.806 4.350 -0.001 0.000 0.266 431 E C -0.733 175.898 176.600 0.052 0.000 0.877 431 E CA -0.823 55.553 56.400 -0.041 0.000 0.758 431 E CB 1.806 31.381 29.700 -0.210 0.000 1.170 431 E HN -0.010 nan 8.360 nan 0.000 0.415 432 F N 3.067 123.120 119.950 0.172 0.000 2.424 432 F HA 0.288 4.815 4.527 -0.001 0.000 0.356 432 F C -1.097 174.756 175.800 0.089 0.000 1.110 432 F CA -0.307 57.872 58.000 0.298 0.000 1.161 432 F CB 0.322 39.501 39.000 0.298 0.000 1.115 432 F HN 0.382 nan 8.300 nan 0.000 0.507 433 Y N 4.771 124.944 120.300 -0.212 0.000 2.342 433 Y HA 0.272 4.822 4.550 -0.001 0.000 0.338 433 Y C -0.041 175.747 175.900 -0.188 0.000 0.965 433 Y CA -0.817 57.233 58.100 -0.083 0.000 1.159 433 Y CB 0.835 39.269 38.460 -0.044 0.000 1.157 433 Y HN 0.493 nan 8.280 nan 0.000 0.486 434 N N 3.383 122.169 118.700 0.143 0.000 2.422 434 N HA 0.325 5.065 4.740 -0.001 0.000 0.266 434 N C -0.951 174.623 175.510 0.106 0.000 1.007 434 N CA -0.534 52.600 53.050 0.141 0.000 0.941 434 N CB 0.587 39.222 38.487 0.246 0.000 1.115 434 N HN 0.552 nan 8.380 nan 0.000 0.492 435 R N 1.700 122.221 120.500 0.036 0.000 2.310 435 R HA 0.257 4.596 4.340 -0.001 0.000 0.316 435 R C -0.133 176.164 176.300 -0.005 0.000 1.004 435 R CA -0.590 55.527 56.100 0.028 0.000 0.900 435 R CB 0.689 30.976 30.300 -0.022 0.000 1.152 435 R HN 0.624 nan 8.270 nan 0.000 0.513 436 T N -0.418 114.155 114.554 0.031 0.000 2.868 436 T HA 0.168 4.517 4.350 -0.001 0.000 0.292 436 T C 0.765 175.484 174.700 0.032 0.000 1.028 436 T CA -0.618 61.491 62.100 0.015 0.000 1.059 436 T CB 0.649 69.526 68.868 0.015 0.000 0.991 436 T HN 0.405 nan 8.240 nan 0.000 0.531 437 L N 0.943 122.182 121.223 0.026 0.000 3.737 437 L HA -0.215 4.124 4.340 -0.001 0.000 0.418 437 L C 1.888 178.875 176.870 0.194 0.000 1.216 437 L CA 1.265 56.163 54.840 0.097 0.000 0.915 437 L CB -2.963 39.076 42.059 -0.033 0.000 1.834 437 L HN 1.052 nan 8.230 nan 0.000 0.943 438 S N -1.384 114.367 115.700 0.086 0.000 2.395 438 S HA 0.068 4.538 4.470 -0.001 0.000 0.225 438 S C 0.517 175.294 174.600 0.294 0.000 1.027 438 S CA 0.902 59.131 58.200 0.047 0.000 0.965 438 S CB 0.022 62.988 63.200 -0.390 0.000 0.812 438 S HN 0.649 nan 8.310 nan 0.000 0.482 439 Y N -0.246 120.181 120.300 0.211 0.000 2.615 439 Y HA 0.757 5.306 4.550 -0.001 0.000 0.341 439 Y C -0.621 175.473 175.900 0.325 0.000 1.089 439 Y CA -1.793 56.504 58.100 0.330 0.000 1.049 439 Y CB 0.798 39.429 38.460 0.286 0.000 1.296 439 Y HN 0.357 nan 8.280 nan 0.000 0.470 440 c N 0.762 119.587 118.600 0.375 0.000 2.889 440 c HA 0.965 5.534 4.570 -0.001 0.000 0.307 440 c C -1.257 172.887 174.090 0.091 0.000 1.251 440 c CA -0.976 55.392 56.329 0.065 0.000 1.593 440 c CB 1.142 43.538 42.510 -0.189 0.000 2.104 440 c HN 0.881 nan 8.230 nan 0.000 0.476 441 V N 2.774 122.644 119.914 -0.073 0.000 2.638 441 V HA 0.832 4.951 4.120 -0.001 0.000 0.306 441 V C -0.523 175.389 176.094 -0.304 0.000 1.052 441 V CA -0.116 61.921 62.300 -0.437 0.000 0.885 441 V CB 1.247 32.487 31.823 -0.973 0.000 0.999 441 V HN 1.035 nan 8.190 nan 0.000 0.424 442 F N 0.833 120.511 119.950 -0.453 0.000 2.654 442 F HA 0.704 5.231 4.527 -0.000 0.000 0.308 442 F C -0.737 174.908 175.800 -0.259 0.000 1.108 442 F CA -1.052 56.827 58.000 -0.202 0.000 0.957 442 F CB 1.735 40.672 39.000 -0.105 0.000 1.309 442 F HN 0.481 nan 8.300 nan 0.000 0.446 443 E N 2.324 122.600 120.200 0.127 0.000 2.167 443 E HA 0.272 4.622 4.350 -0.001 0.000 0.284 443 E C -1.178 175.508 176.600 0.144 0.000 1.016 443 E CA -0.579 55.822 56.400 0.001 0.000 0.817 443 E CB 0.772 30.579 29.700 0.178 0.000 1.080 443 E HN 0.660 nan 8.360 nan 0.000 0.397 444 N N 2.947 121.660 118.700 0.021 0.000 2.489 444 N HA 0.117 4.857 4.740 -0.001 0.000 0.284 444 N C -1.357 174.174 175.510 0.035 0.000 1.158 444 N CA -0.458 52.647 53.050 0.092 0.000 0.965 444 N CB 1.437 39.957 38.487 0.056 0.000 1.195 444 N HN 0.340 nan 8.380 nan 0.000 0.506 445 Q N 1.557 121.385 119.800 0.046 0.000 2.400 445 Q HA 0.251 4.591 4.340 -0.001 0.000 0.255 445 Q C -1.006 174.995 176.000 0.002 0.000 1.008 445 Q CA -0.515 55.309 55.803 0.035 0.000 0.841 445 Q CB 0.480 29.255 28.738 0.062 0.000 1.220 445 Q HN 0.399 nan 8.270 nan 0.000 0.474 446 E N 1.823 121.986 120.200 -0.062 0.000 2.422 446 E HA -0.048 4.302 4.350 -0.001 0.000 0.260 446 E C 0.111 176.674 176.600 -0.062 0.000 1.108 446 E CA 0.192 56.531 56.400 -0.101 0.000 0.943 446 E CB 0.641 30.162 29.700 -0.298 0.000 0.961 446 E HN 0.740 nan 8.360 nan 0.000 0.443 447 D N -0.175 120.263 120.400 0.063 0.000 2.336 447 D HA -0.079 4.561 4.640 -0.001 0.000 0.229 447 D C 0.153 176.576 176.300 0.205 0.000 1.061 447 D CA 0.298 54.376 54.000 0.129 0.000 0.875 447 D CB -0.570 40.320 40.800 0.149 0.000 0.904 447 D HN 0.369 nan 8.370 nan 0.000 0.525 448 Y N -2.442 117.912 120.300 0.090 0.000 2.553 448 Y HA 0.707 5.257 4.550 -0.001 0.000 0.347 448 Y C -0.298 175.675 175.900 0.122 0.000 1.019 448 Y CA -1.820 56.336 58.100 0.094 0.000 1.032 448 Y CB 0.751 39.259 38.460 0.080 0.000 1.284 448 Y HN -0.238 nan 8.280 nan 0.000 0.466 449 S N 2.044 117.810 115.700 0.110 0.000 2.614 449 S HA 0.139 4.609 4.470 -0.001 0.000 0.265 449 S C 0.815 175.479 174.600 0.107 0.000 1.303 449 S CA -0.587 57.657 58.200 0.073 0.000 1.000 449 S CB 1.216 64.501 63.200 0.141 0.000 0.935 449 S HN 0.824 nan 8.310 nan 0.000 0.551 450 L N 0.713 122.000 121.223 0.107 0.000 2.109 450 L HA 0.236 4.576 4.340 -0.001 0.000 0.207 450 L C -0.009 176.974 176.870 0.188 0.000 1.086 450 L CA 1.610 56.550 54.840 0.167 0.000 0.760 450 L CB -0.594 41.570 42.059 0.175 0.000 0.910 450 L HN 0.733 nan 8.230 nan 0.000 0.437 451 L N -3.116 118.208 121.223 0.168 0.000 2.838 451 L HA 0.632 4.971 4.340 -0.001 0.000 0.266 451 L C -0.894 176.075 176.870 0.165 0.000 1.040 451 L CA -1.006 53.929 54.840 0.158 0.000 0.906 451 L CB 1.463 43.601 42.059 0.130 0.000 1.501 451 L HN 0.196 nan 8.230 nan 0.000 0.407 452 R N -0.350 120.252 120.500 0.169 0.000 2.690 452 R HA 0.780 5.120 4.340 -0.001 0.000 0.269 452 R C -1.907 174.544 176.300 0.252 0.000 1.037 452 R CA -0.843 55.372 56.100 0.191 0.000 0.877 452 R CB 1.495 31.885 30.300 0.151 0.000 1.255 452 R HN 0.967 nan 8.270 nan 0.000 0.467 453 H N -0.160 118.994 119.070 0.140 0.000 3.038 453 H HA 0.447 5.003 4.556 -0.001 0.000 0.362 453 H C -1.694 173.658 175.328 0.040 0.000 1.167 453 H CA -0.147 55.961 56.048 0.099 0.000 1.197 453 H CB 2.827 32.673 29.762 0.141 0.000 1.840 453 H HN 0.715 nan 8.280 nan 0.000 0.540 454 T N 3.591 117.690 114.554 -0.757 0.000 2.792 454 T HA 0.619 4.968 4.350 -0.001 0.000 0.280 454 T C 0.271 174.358 174.700 -1.022 0.000 0.990 454 T CA -0.054 61.625 62.100 -0.702 0.000 0.960 454 T CB 1.235 69.869 68.868 -0.391 0.000 0.939 454 T HN 0.735 nan 8.240 nan 0.000 0.439 455 G N 0.702 108.923 108.800 -0.966 0.000 3.175 455 G HA2 0.631 4.590 3.960 -0.001 0.000 0.255 455 G HA3 0.631 4.590 3.960 -0.001 0.000 0.255 455 G C 1.174 175.836 174.900 -0.398 0.000 1.352 455 G CA -0.172 44.537 45.100 -0.652 0.000 1.037 455 G HN 0.717 nan 8.290 nan 0.000 0.556 456 A N -0.560 122.141 122.820 -0.198 0.000 1.940 456 A HA -0.014 4.306 4.320 -0.001 0.000 0.221 456 A C 1.926 179.468 177.584 -0.069 0.000 1.190 456 A CA 3.456 55.440 52.037 -0.088 0.000 0.647 456 A CB -0.554 18.442 19.000 -0.007 0.000 0.821 456 A HN 1.745 nan 8.150 nan 0.000 0.457 457 S N -3.505 112.166 115.700 -0.049 0.000 3.029 457 S HA 0.451 4.921 4.470 -0.001 0.000 0.244 457 S C -0.349 174.300 174.600 0.080 0.000 0.814 457 S CA -0.122 58.102 58.200 0.041 0.000 1.148 457 S CB -0.838 62.429 63.200 0.112 0.000 1.253 457 S HN 1.096 nan 8.310 nan 0.000 0.555 458 Y N -1.057 119.232 120.300 -0.019 0.000 2.609 458 Y HA 0.907 5.457 4.550 -0.001 0.000 0.342 458 Y C -0.883 175.009 175.900 -0.013 0.000 1.058 458 Y CA -1.190 56.867 58.100 -0.072 0.000 1.055 458 Y CB 1.146 39.553 38.460 -0.087 0.000 1.292 458 Y HN 0.010 nan 8.280 nan 0.000 0.476 459 S N 1.219 117.033 115.700 0.189 0.000 2.532 459 S HA 0.860 5.329 4.470 -0.001 0.000 0.299 459 S C -1.179 173.616 174.600 0.325 0.000 1.105 459 S CA -0.542 57.733 58.200 0.125 0.000 1.018 459 S CB 1.345 64.492 63.200 -0.088 0.000 1.021 459 S HN 1.026 nan 8.310 nan 0.000 0.483 460 A N 3.922 126.997 122.820 0.425 0.000 2.332 460 A HA 0.830 5.150 4.320 -0.001 0.000 0.300 460 A C -0.800 176.964 177.584 0.299 0.000 1.153 460 A CA -0.535 51.773 52.037 0.453 0.000 0.764 460 A CB 0.287 19.597 19.000 0.517 0.000 1.174 460 A HN 0.784 nan 8.150 nan 0.000 0.467 461 I N 1.516 122.245 120.570 0.265 0.000 2.545 461 I HA 0.451 4.621 4.170 -0.001 0.000 0.292 461 I C -0.319 175.932 176.117 0.224 0.000 1.040 461 I CA -0.471 60.960 61.300 0.218 0.000 1.068 461 I CB 2.781 40.894 38.000 0.188 0.000 1.251 461 I HN 0.488 nan 8.210 nan 0.000 0.424 462 T N 4.709 119.378 114.554 0.192 0.000 2.807 462 T HA 0.350 4.700 4.350 -0.001 0.000 0.279 462 T C -0.231 174.576 174.700 0.178 0.000 0.993 462 T CA -0.621 61.589 62.100 0.182 0.000 0.970 462 T CB 1.435 70.390 68.868 0.146 0.000 0.950 462 T HN 0.480 nan 8.240 nan 0.000 0.441 463 Q N 1.825 121.744 119.800 0.198 0.000 2.471 463 Q HA 0.257 4.597 4.340 -0.001 0.000 0.223 463 Q C 0.183 176.267 176.000 0.140 0.000 1.045 463 Q CA -0.447 55.463 55.803 0.178 0.000 0.956 463 Q CB 0.418 29.291 28.738 0.225 0.000 1.249 463 Q HN 0.393 nan 8.270 nan 0.000 0.549 464 N N 1.195 119.946 118.700 0.086 0.000 2.813 464 N HA 0.248 4.988 4.740 -0.001 0.000 0.282 464 N C -2.709 172.837 175.510 0.061 0.000 1.748 464 N CA -1.846 51.237 53.050 0.057 0.000 0.860 464 N CB 0.777 39.177 38.487 -0.145 0.000 1.204 464 N HN 0.262 nan 8.380 nan 0.000 0.490 465 P HA 0.225 nan 4.420 nan 0.000 0.275 465 P C -0.627 176.798 177.300 0.207 0.000 1.227 465 P CA 0.020 63.238 63.100 0.197 0.000 0.781 465 P CB 1.117 33.019 31.700 0.336 0.000 0.906 466 T N 0.102 114.586 114.554 -0.117 0.000 2.900 466 T HA 0.525 4.875 4.350 -0.001 0.000 0.295 466 T C -0.549 173.572 174.700 -0.964 0.000 1.044 466 T CA -0.960 60.810 62.100 -0.549 0.000 0.995 466 T CB 1.196 69.619 68.868 -0.742 0.000 1.072 466 T HN 0.213 nan 8.240 nan 0.000 0.473 467 L N 2.235 122.520 121.223 -1.564 0.000 2.312 467 L HA 0.577 4.916 4.340 -0.001 0.000 0.281 467 L C -0.546 175.806 176.870 -0.864 0.000 1.070 467 L CA -0.189 53.837 54.840 -1.356 0.000 0.805 467 L CB 0.653 41.794 42.059 -1.529 0.000 1.174 467 L HN 0.739 nan 8.230 nan 0.000 0.434 468 N N 3.884 122.018 118.700 -0.943 0.000 2.295 468 N HA 0.466 5.206 4.740 -0.001 0.000 0.293 468 N C -1.673 173.381 175.510 -0.760 0.000 1.040 468 N CA -0.435 52.048 53.050 -0.945 0.000 0.840 468 N CB 2.523 40.029 38.487 -1.635 0.000 1.468 468 N HN 0.295 nan 8.380 nan 0.000 0.478 469 V N 2.076 121.779 119.914 -0.352 0.000 2.487 469 V HA 0.513 4.633 4.120 -0.001 0.000 0.298 469 V C 0.092 176.274 176.094 0.146 0.000 1.028 469 V CA -0.714 61.529 62.300 -0.095 0.000 0.860 469 V CB 1.992 33.827 31.823 0.020 0.000 0.991 469 V HN 0.619 nan 8.190 nan 0.000 0.427 470 R N 4.505 125.156 120.500 0.251 0.000 2.750 470 R HA 0.797 5.136 4.340 -0.001 0.000 0.281 470 R C -1.754 174.882 176.300 0.560 0.000 0.972 470 R CA -0.494 55.821 56.100 0.358 0.000 0.912 470 R CB 2.175 32.654 30.300 0.297 0.000 1.187 470 R HN 0.666 nan 8.270 nan 0.000 0.464 471 F N 2.288 122.482 119.950 0.406 0.000 2.613 471 F HA 0.657 5.184 4.527 -0.000 0.000 0.310 471 F C -1.778 174.299 175.800 0.461 0.000 1.085 471 F CA -1.217 57.063 58.000 0.466 0.000 0.945 471 F CB 1.335 40.686 39.000 0.585 0.000 1.298 471 F HN 0.296 nan 8.300 nan 0.000 0.455 472 I N 2.283 123.032 120.570 0.298 0.000 2.465 472 I HA 0.419 4.589 4.170 -0.001 0.000 0.291 472 I C -0.713 175.567 176.117 0.271 0.000 1.014 472 I CA -0.834 60.545 61.300 0.130 0.000 1.093 472 I CB 2.121 40.226 38.000 0.175 0.000 1.267 472 I HN 0.744 nan 8.210 nan 0.000 0.431 473 S N 3.895 119.726 115.700 0.218 0.000 2.669 473 S HA 0.383 4.853 4.470 -0.001 0.000 0.315 473 S C -0.389 174.371 174.600 0.266 0.000 1.106 473 S CA -0.402 57.995 58.200 0.328 0.000 1.107 473 S CB 0.565 64.037 63.200 0.452 0.000 0.990 473 S HN 0.574 nan 8.310 nan 0.000 0.471 474 T N 6.452 121.119 114.554 0.189 0.000 2.739 474 T HA 0.387 4.737 4.350 -0.001 0.000 0.298 474 T C 0.021 174.780 174.700 0.098 0.000 0.929 474 T CA -0.079 62.119 62.100 0.163 0.000 1.014 474 T CB -0.262 68.771 68.868 0.275 0.000 0.914 474 T HN 0.574 nan 8.240 nan 0.000 0.509 475 I N 3.771 124.419 120.570 0.129 0.000 2.388 475 I HA 0.394 4.564 4.170 -0.001 0.000 0.281 475 I C 1.359 177.489 176.117 0.020 0.000 1.046 475 I CA -0.421 60.927 61.300 0.079 0.000 1.187 475 I CB 0.324 38.415 38.000 0.150 0.000 1.351 475 I HN 0.861 nan 8.210 nan 0.000 0.472 476 G N 6.549 115.371 108.800 0.038 0.000 2.634 476 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.318 476 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.318 476 G C 0.352 175.295 174.900 0.071 0.000 1.207 476 G CA 0.495 45.614 45.100 0.031 0.000 0.987 476 G HN 0.716 nan 8.290 nan 0.000 0.547 480 Y N 1.210 121.493 120.300 -0.028 0.000 2.330 480 Y HA 0.521 5.070 4.550 -0.000 0.000 0.336 480 Y C 0.512 176.078 175.900 -0.556 0.000 1.036 480 Y CA -0.739 57.167 58.100 -0.324 0.000 1.125 480 Y CB 1.134 39.299 38.460 -0.491 0.000 1.194 480 Y HN 0.218 nan 8.280 nan 0.000 0.469 481 N N 3.997 122.383 118.700 -0.524 0.000 2.479 481 N HA 0.295 5.035 4.740 -0.001 0.000 0.261 481 N C -1.919 173.212 175.510 -0.630 0.000 0.979 481 N CA -0.553 52.163 53.050 -0.557 0.000 0.930 481 N CB 0.277 38.273 38.487 -0.819 0.000 1.172 481 N HN 0.412 nan 8.380 nan 0.000 0.499 482 F N 2.874 122.665 119.950 -0.265 0.000 2.415 482 F HA 0.495 5.022 4.527 -0.000 0.000 0.348 482 F C 0.142 175.837 175.800 -0.175 0.000 1.119 482 F CA -0.972 56.890 58.000 -0.230 0.000 1.069 482 F CB 1.480 40.354 39.000 -0.210 0.000 1.124 482 F HN 0.221 nan 8.300 nan 0.000 0.472 483 L N 4.615 125.721 121.223 -0.195 0.000 2.410 483 L HA 0.563 4.903 4.340 -0.001 0.000 0.270 483 L C -1.837 174.668 176.870 -0.608 0.000 0.983 483 L CA -0.792 53.903 54.840 -0.240 0.000 0.822 483 L CB 1.276 43.207 42.059 -0.213 0.000 1.285 483 L HN 0.430 nan 8.230 nan 0.000 0.409 484 Y N 4.056 124.175 120.300 -0.302 0.000 2.328 484 Y HA 0.539 5.088 4.550 -0.000 0.000 0.333 484 Y C -0.194 175.301 175.900 -0.675 0.000 0.958 484 Y CA -0.522 57.229 58.100 -0.582 0.000 1.167 484 Y CB 1.631 39.676 38.460 -0.692 0.000 1.151 484 Y HN 0.427 nan 8.280 nan 0.000 0.470 485 K N 4.385 124.370 120.400 -0.692 0.000 2.413 485 K HA 0.555 4.875 4.320 -0.001 0.000 0.257 485 K C -1.915 174.208 176.600 -0.796 0.000 0.946 485 K CA -0.512 55.379 56.287 -0.660 0.000 0.823 485 K CB 0.787 32.979 32.500 -0.513 0.000 1.109 485 K HN 0.488 nan 8.250 nan 0.000 0.427 486 F N 4.125 123.613 119.950 -0.770 0.000 2.443 486 F HA 0.482 5.009 4.527 -0.001 0.000 0.335 486 F C -0.224 175.343 175.800 -0.389 0.000 1.104 486 F CA -0.574 57.004 58.000 -0.704 0.000 1.013 486 F CB 0.957 39.243 39.000 -1.190 0.000 1.136 486 F HN 0.350 nan 8.300 nan 0.000 0.470 487 F N 1.734 121.847 119.950 0.273 0.000 2.541 487 F HA 0.410 4.937 4.527 -0.001 0.000 0.331 487 F C 1.072 177.284 175.800 0.688 0.000 1.057 487 F CA -0.868 57.393 58.000 0.435 0.000 0.975 487 F CB 1.229 40.371 39.000 0.236 0.000 1.246 487 F HN 0.302 nan 8.300 nan 0.000 0.484 488 L N 0.801 122.450 121.223 0.709 0.000 2.201 488 L HA -0.147 4.193 4.340 -0.001 0.000 0.212 488 L C 1.932 179.045 176.870 0.404 0.000 1.105 488 L CA 1.043 56.171 54.840 0.481 0.000 0.775 488 L CB -0.391 41.849 42.059 0.301 0.000 0.913 488 L HN 0.696 nan 8.230 nan 0.000 0.440 489 D N -0.702 119.894 120.400 0.327 0.000 2.347 489 D HA -0.043 4.596 4.640 -0.001 0.000 0.213 489 D C 1.396 177.694 176.300 -0.004 0.000 0.985 489 D CA 1.040 55.167 54.000 0.213 0.000 0.879 489 D CB 0.526 41.425 40.800 0.166 0.000 0.919 489 D HN 0.280 nan 8.370 nan 0.000 0.526 490 G N -0.230 108.352 108.800 -0.363 0.000 2.168 490 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.197 490 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.197 490 G C 0.208 175.208 174.900 0.168 0.000 0.997 490 G CA 0.091 44.681 45.100 -0.849 0.000 0.658 490 G HN 0.403 nan 8.290 nan 0.000 0.513 491 T N 0.931 115.672 114.554 0.313 0.000 2.889 491 T HA 0.612 4.962 4.350 -0.001 0.000 0.291 491 T C -0.309 174.591 174.700 0.334 0.000 0.995 491 T CA 0.109 62.353 62.100 0.239 0.000 1.092 491 T CB 1.977 70.785 68.868 -0.099 0.000 0.954 491 T HN 0.788 nan 8.240 nan 0.000 0.506 492 L N 2.763 124.039 121.223 0.089 0.000 2.385 492 L HA 0.640 4.980 4.340 -0.001 0.000 0.273 492 L C -0.578 176.120 176.870 -0.287 0.000 0.990 492 L CA -0.587 54.078 54.840 -0.292 0.000 0.821 492 L CB 1.911 43.646 42.059 -0.540 0.000 1.279 492 L HN 0.669 nan 8.230 nan 0.000 0.412 493 E N 3.389 123.387 120.200 -0.337 0.000 2.187 493 E HA 0.628 4.977 4.350 -0.001 0.000 0.268 493 E C -1.746 174.461 176.600 -0.655 0.000 0.896 493 E CA -0.776 55.390 56.400 -0.389 0.000 0.766 493 E CB 1.840 31.470 29.700 -0.118 0.000 1.142 493 E HN 0.549 nan 8.360 nan 0.000 0.408 494 V N 4.024 123.380 119.914 -0.932 0.000 2.398 494 V HA 0.480 4.600 4.120 -0.001 0.000 0.286 494 V C -0.309 175.243 176.094 -0.904 0.000 1.026 494 V CA -0.380 61.234 62.300 -1.144 0.000 0.868 494 V CB 1.182 32.019 31.823 -1.643 0.000 0.982 494 V HN 0.770 nan 8.190 nan 0.000 0.443 495 S N 3.974 119.274 115.700 -0.666 0.000 2.588 495 S HA 0.872 5.342 4.470 -0.001 0.000 0.275 495 S C -1.193 173.273 174.600 -0.224 0.000 1.130 495 S CA -0.804 57.178 58.200 -0.363 0.000 0.855 495 S CB 2.175 65.280 63.200 -0.158 0.000 1.116 495 S HN 0.795 nan 8.310 nan 0.000 0.472 496 V N 1.163 121.008 119.914 -0.115 0.000 2.841 496 V HA 0.768 4.887 4.120 -0.001 0.000 0.310 496 V C -1.476 174.588 176.094 -0.051 0.000 1.090 496 V CA -0.643 61.588 62.300 -0.115 0.000 0.930 496 V CB 2.078 33.889 31.823 -0.021 0.000 1.014 496 V HN 1.086 nan 8.190 nan 0.000 0.425 497 R N 3.651 124.072 120.500 -0.131 0.000 2.807 497 R HA 0.912 5.252 4.340 -0.001 0.000 0.276 497 R C -1.052 175.304 176.300 0.094 0.000 0.979 497 R CA -0.431 55.671 56.100 0.002 0.000 0.928 497 R CB 2.286 32.542 30.300 -0.073 0.000 1.191 497 R HN 0.901 nan 8.270 nan 0.000 0.471 498 A N 0.853 123.775 122.820 0.170 0.000 2.401 498 A HA 0.928 5.248 4.320 -0.001 0.000 0.310 498 A C -1.231 176.246 177.584 -0.179 0.000 1.075 498 A CA -0.367 51.653 52.037 -0.027 0.000 0.746 498 A CB 1.861 20.682 19.000 -0.298 0.000 1.277 498 A HN 0.797 nan 8.150 nan 0.000 0.425 499 A N 0.099 122.654 122.820 -0.442 0.000 2.534 499 A HA 1.042 5.362 4.320 -0.001 0.000 0.300 499 A C 0.344 177.681 177.584 -0.411 0.000 1.223 499 A CA 0.107 51.737 52.037 -0.679 0.000 0.666 499 A CB 0.402 18.464 19.000 -1.563 0.000 1.316 499 A HN 2.903 nan 8.150 nan 0.000 0.468 500 G N -2.085 106.482 108.800 -0.388 0.000 2.526 500 G HA2 0.184 4.143 3.960 -0.001 0.000 0.250 500 G HA3 0.184 4.143 3.960 -0.001 0.000 0.250 500 G C -0.864 173.892 174.900 -0.240 0.000 1.289 500 G CA -0.264 44.664 45.100 -0.287 0.000 0.947 500 G HN 1.319 nan 8.290 nan 0.000 0.517 501 Y N 0.651 120.931 120.300 -0.033 0.000 2.304 501 Y HA 0.509 5.058 4.550 -0.001 0.000 0.328 501 Y C 1.676 177.612 175.900 0.059 0.000 1.123 501 Y CA -0.056 58.049 58.100 0.008 0.000 1.218 501 Y CB 0.838 39.294 38.460 -0.008 0.000 1.207 501 Y HN 0.652 nan 8.280 nan 0.000 0.495 502 I N 0.465 121.193 120.570 0.263 0.000 2.779 502 I HA 0.193 4.363 4.170 -0.001 0.000 0.285 502 I C -0.002 176.242 176.117 0.211 0.000 1.134 502 I CA -0.739 60.701 61.300 0.233 0.000 1.398 502 I CB 0.778 38.903 38.000 0.209 0.000 1.404 502 I HN 0.592 nan 8.210 nan 0.000 0.587 503 Q N 4.337 124.253 119.800 0.194 0.000 2.472 503 Q HA 0.485 4.825 4.340 -0.001 0.000 0.227 503 Q C -0.303 175.808 176.000 0.184 0.000 1.156 503 Q CA -0.557 55.333 55.803 0.145 0.000 0.924 503 Q CB 0.632 29.373 28.738 0.006 0.000 1.354 503 Q HN 0.890 nan 8.270 nan 0.000 0.525 504 A N 2.625 125.559 122.820 0.191 0.000 2.249 504 A HA 0.825 5.144 4.320 -0.001 0.000 0.281 504 A C 0.250 177.968 177.584 0.223 0.000 1.127 504 A CA 0.149 52.318 52.037 0.220 0.000 0.833 504 A CB 0.824 19.955 19.000 0.218 0.000 1.140 504 A HN 0.762 nan 8.150 nan 0.000 0.502 505 G N -2.230 106.721 108.800 0.252 0.000 2.574 505 G HA2 0.485 4.445 3.960 -0.001 0.000 0.299 505 G HA3 0.485 4.445 3.960 -0.001 0.000 0.299 505 G C -1.234 173.848 174.900 0.302 0.000 1.298 505 G CA -0.520 44.750 45.100 0.283 0.000 0.952 505 G HN 0.695 nan 8.290 nan 0.000 0.477 506 Y N 1.204 121.657 120.300 0.254 0.000 2.544 506 Y HA 0.221 4.771 4.550 -0.001 0.000 0.330 506 Y C 0.344 176.398 175.900 0.256 0.000 1.136 506 Y CA -0.674 57.571 58.100 0.242 0.000 1.417 506 Y CB 0.647 39.225 38.460 0.197 0.000 1.229 506 Y HN 0.514 nan 8.280 nan 0.000 0.532 507 W N 9.775 130.759 121.300 -0.526 0.000 2.481 507 W HA 0.132 4.791 4.660 -0.001 0.000 0.320 507 W C -0.905 175.481 176.519 -0.222 0.000 1.209 507 W CA -0.647 56.530 57.345 -0.280 0.000 1.400 507 W CB 0.382 29.693 29.460 -0.247 0.000 1.361 507 W HN 0.593 nan 8.180 nan 0.000 0.456 508 N N 8.739 127.190 118.700 -0.416 0.000 2.439 508 N HA 0.150 4.889 4.740 -0.001 0.000 0.249 508 N C -1.361 173.746 175.510 -0.672 0.000 1.003 508 N CA -1.983 50.894 53.050 -0.288 0.000 0.942 508 N CB 1.657 40.100 38.487 -0.075 0.000 1.115 508 N HN 0.218 nan 8.380 nan 0.000 0.505 509 P HA -0.132 nan 4.420 nan 0.000 0.219 509 P C 0.514 177.682 177.300 -0.220 0.000 1.146 509 P CA 1.253 64.184 63.100 -0.281 0.000 0.808 509 P CB 0.605 32.348 31.700 0.072 0.000 0.779 510 E N -0.588 119.508 120.200 -0.173 0.000 2.152 510 E HA -0.067 4.283 4.350 -0.001 0.000 0.192 510 E C 1.492 178.013 176.600 -0.133 0.000 0.983 510 E CA 1.807 58.138 56.400 -0.115 0.000 0.818 510 E CB -0.115 29.539 29.700 -0.078 0.000 0.758 510 E HN 0.417 nan 8.360 nan 0.000 0.467 511 T N -3.960 110.480 114.554 -0.190 0.000 3.016 511 T HA 0.197 4.547 4.350 -0.001 0.000 0.271 511 T C 1.665 176.295 174.700 -0.117 0.000 0.968 511 T CA -0.274 61.754 62.100 -0.120 0.000 0.891 511 T CB 0.483 69.301 68.868 -0.084 0.000 1.149 511 T HN -0.164 nan 8.240 nan 0.000 0.524 512 S N 1.318 116.800 115.700 -0.363 0.000 2.470 512 S HA 0.381 4.851 4.470 -0.001 0.000 0.225 512 S C 2.387 176.859 174.600 -0.214 0.000 1.006 512 S CA 0.559 58.546 58.200 -0.354 0.000 0.934 512 S CB -0.279 62.441 63.200 -0.799 0.000 0.778 512 S HN 0.710 nan 8.310 nan 0.000 0.517 513 A N 2.513 125.171 122.820 -0.271 0.000 1.933 513 A HA -0.017 4.303 4.320 -0.001 0.000 0.218 513 A C -0.290 177.288 177.584 -0.010 0.000 1.175 513 A CA 1.205 53.252 52.037 0.017 0.000 0.628 513 A CB -1.709 17.334 19.000 0.072 0.000 0.814 513 A HN 0.386 nan 8.150 nan 0.000 0.444 514 P HA -0.023 nan 4.420 nan 0.000 0.237 514 P C -0.142 176.835 177.300 -0.539 0.000 1.178 514 P CA 0.878 63.731 63.100 -0.413 0.000 0.766 514 P CB -0.082 31.213 31.700 -0.675 0.000 0.876 515 Y N -1.612 118.716 120.300 0.047 0.000 2.588 515 Y HA 0.551 5.101 4.550 -0.001 0.000 0.247 515 Y C 1.208 177.212 175.900 0.174 0.000 1.157 515 Y CA -0.134 58.039 58.100 0.122 0.000 1.215 515 Y CB 0.876 39.392 38.460 0.094 0.000 1.245 515 Y HN -0.146 nan 8.280 nan 0.000 0.534 516 G N -0.209 108.738 108.800 0.244 0.000 2.340 516 G HA2 0.379 4.339 3.960 -0.001 0.000 0.298 516 G HA3 0.379 4.339 3.960 -0.001 0.000 0.298 516 G C -1.938 173.133 174.900 0.286 0.000 1.498 516 G CA -1.116 44.139 45.100 0.258 0.000 0.847 516 G HN -0.029 nan 8.290 nan 0.000 0.594 517 L N 0.407 121.725 121.223 0.159 0.000 2.343 517 L HA 0.532 4.872 4.340 -0.001 0.000 0.275 517 L C 0.763 177.550 176.870 -0.138 0.000 1.056 517 L CA -0.917 53.934 54.840 0.019 0.000 0.804 517 L CB 1.744 43.778 42.059 -0.042 0.000 1.203 517 L HN 0.527 nan 8.230 nan 0.000 0.440 518 K N 3.265 123.297 120.400 -0.612 0.000 2.315 518 K HA 0.180 4.500 4.320 -0.001 0.000 0.291 518 K C 0.729 177.059 176.600 -0.449 0.000 1.074 518 K CA -0.106 55.642 56.287 -0.897 0.000 0.936 518 K CB 0.373 31.890 32.500 -1.638 0.000 1.049 518 K HN 0.666 nan 8.250 nan 0.000 0.471 519 I N 0.489 120.908 120.570 -0.251 0.000 4.057 519 I HA 0.242 4.412 4.170 -0.001 0.000 0.334 519 I C 0.483 176.531 176.117 -0.116 0.000 1.308 519 I CA -0.418 60.801 61.300 -0.135 0.000 1.125 519 I CB 0.102 38.093 38.000 -0.016 0.000 1.034 519 I HN 0.510 nan 8.210 nan 0.000 0.401 520 H N 0.635 119.510 119.070 -0.325 0.000 2.918 520 H HA 0.187 4.742 4.556 -0.001 0.000 0.303 520 H C -0.265 174.826 175.328 -0.396 0.000 1.380 520 H CA -0.378 55.398 56.048 -0.453 0.000 1.134 520 H CB 1.849 31.168 29.762 -0.739 0.000 1.842 520 H HN -0.137 nan 8.280 nan 0.000 0.533 521 D N 0.559 120.620 120.400 -0.565 0.000 2.133 521 D HA -0.116 4.524 4.640 -0.001 0.000 0.192 521 D C 1.481 177.673 176.300 -0.180 0.000 1.001 521 D CA 2.351 56.147 54.000 -0.340 0.000 0.844 521 D CB 0.132 40.776 40.800 -0.261 0.000 0.944 521 D HN 0.293 nan 8.370 nan 0.000 0.447 522 V N -1.601 118.255 119.914 -0.096 0.000 2.909 522 V HA 0.423 4.542 4.120 -0.001 0.000 0.362 522 V C -0.401 175.594 176.094 -0.164 0.000 1.356 522 V CA -0.759 61.449 62.300 -0.154 0.000 1.195 522 V CB 0.396 32.151 31.823 -0.114 0.000 1.256 522 V HN -0.097 nan 8.190 nan 0.000 0.567 523 L N 1.002 122.196 121.223 -0.049 0.000 2.385 523 L HA 0.832 5.172 4.340 -0.001 0.000 0.273 523 L C -0.142 176.790 176.870 0.103 0.000 0.990 523 L CA -0.124 54.753 54.840 0.062 0.000 0.821 523 L CB 2.128 44.246 42.059 0.098 0.000 1.279 523 L HN 0.282 nan 8.230 nan 0.000 0.412 524 S N 2.198 118.050 115.700 0.253 0.000 2.489 524 S HA 0.567 5.037 4.470 -0.001 0.000 0.291 524 S C 1.111 175.859 174.600 0.246 0.000 1.151 524 S CA -0.014 58.389 58.200 0.340 0.000 1.082 524 S CB 1.406 64.905 63.200 0.499 0.000 1.019 524 S HN 0.897 nan 8.310 nan 0.000 0.492 525 G N 2.085 111.005 108.800 0.200 0.000 2.598 525 G HA2 0.198 4.157 3.960 -0.001 0.000 0.215 525 G HA3 0.198 4.157 3.960 -0.001 0.000 0.215 525 G C 0.574 175.622 174.900 0.247 0.000 1.131 525 G CA 0.565 45.774 45.100 0.181 0.000 0.785 525 G HN 1.184 nan 8.290 nan 0.000 0.539 526 S N -2.188 113.692 115.700 0.300 0.000 3.756 526 S HA -0.177 4.293 4.470 -0.001 0.000 0.640 526 S C -0.665 174.189 174.600 0.424 0.000 2.059 526 S CA 0.508 58.933 58.200 0.376 0.000 2.224 526 S CB -1.072 62.385 63.200 0.429 0.000 0.327 526 S HN 1.002 nan 8.310 nan 0.000 1.789 527 F N 3.323 123.419 119.950 0.243 0.000 2.588 527 F HA 0.631 5.158 4.527 -0.000 0.000 0.318 527 F C -0.238 175.590 175.800 0.048 0.000 1.155 527 F CA -0.438 57.625 58.000 0.105 0.000 0.967 527 F CB 1.336 40.388 39.000 0.086 0.000 1.236 527 F HN 0.855 nan 8.300 nan 0.000 0.455 528 H N 2.556 121.398 119.070 -0.379 0.000 3.037 528 H HA 0.419 4.975 4.556 -0.001 0.000 0.355 528 H C -2.085 172.919 175.328 -0.539 0.000 1.263 528 H CA -1.087 54.514 56.048 -0.745 0.000 1.129 528 H CB 1.870 30.807 29.762 -1.374 0.000 1.861 528 H HN 0.405 nan 8.280 nan 0.000 0.546 529 D N 1.175 121.291 120.400 -0.473 0.000 2.192 529 D HA 0.259 4.899 4.640 -0.001 0.000 0.246 529 D C -0.245 175.921 176.300 -0.223 0.000 1.042 529 D CA -0.226 53.617 54.000 -0.262 0.000 0.847 529 D CB 1.097 41.781 40.800 -0.195 0.000 1.186 529 D HN 0.394 nan 8.370 nan 0.000 0.461 530 H N 0.634 119.722 119.070 0.030 0.000 2.467 530 H HA 0.503 5.059 4.556 -0.001 0.000 0.326 530 H C -0.529 174.860 175.328 0.101 0.000 1.094 530 H CA -0.585 55.543 56.048 0.132 0.000 1.253 530 H CB 1.531 31.411 29.762 0.197 0.000 1.439 530 H HN 0.023 nan 8.280 nan 0.000 0.479 531 V N 4.777 124.858 119.914 0.278 0.000 2.686 531 V HA 0.288 4.408 4.120 -0.001 0.000 0.306 531 V C -0.600 175.744 176.094 0.416 0.000 1.065 531 V CA -0.823 61.659 62.300 0.304 0.000 0.894 531 V CB 2.112 34.080 31.823 0.240 0.000 1.004 531 V HN 0.408 nan 8.190 nan 0.000 0.424 532 L N 3.577 125.001 121.223 0.336 0.000 2.362 532 L HA 0.584 4.923 4.340 -0.001 0.000 0.271 532 L C -0.043 176.834 176.870 0.012 0.000 1.002 532 L CA -0.192 54.728 54.840 0.132 0.000 0.818 532 L CB 1.830 43.950 42.059 0.101 0.000 1.298 532 L HN 0.702 nan 8.230 nan 0.000 0.420 533 N N 1.364 119.782 118.700 -0.471 0.000 2.372 533 N HA 0.403 5.142 4.740 -0.001 0.000 0.291 533 N C -1.787 173.466 175.510 -0.429 0.000 1.024 533 N CA -0.414 52.330 53.050 -0.510 0.000 0.873 533 N CB 1.295 39.020 38.487 -1.271 0.000 1.206 533 N HN 0.433 nan 8.380 nan 0.000 0.486 534 Y N 1.383 121.655 120.300 -0.045 0.000 2.364 534 Y HA 0.267 4.817 4.550 -0.001 0.000 0.340 534 Y C 0.335 176.221 175.900 -0.024 0.000 0.975 534 Y CA -0.771 57.333 58.100 0.007 0.000 1.089 534 Y CB 1.553 40.101 38.460 0.146 0.000 1.192 534 Y HN 0.315 nan 8.280 nan 0.000 0.454 535 K N 2.965 123.380 120.400 0.026 0.000 2.285 535 K HA 0.530 4.850 4.320 -0.001 0.000 0.286 535 K C -1.462 175.011 176.600 -0.212 0.000 1.072 535 K CA -0.293 55.816 56.287 -0.297 0.000 0.913 535 K CB 0.477 32.747 32.500 -0.383 0.000 1.067 535 K HN 0.543 nan 8.250 nan 0.000 0.479 536 V N 4.737 124.494 119.914 -0.261 0.000 2.289 536 V HA 0.049 4.168 4.120 -0.001 0.000 0.272 536 V C -0.536 175.456 176.094 -0.171 0.000 1.026 536 V CA -0.813 61.404 62.300 -0.139 0.000 0.807 536 V CB 0.892 32.673 31.823 -0.069 0.000 1.044 536 V HN 0.749 nan 8.190 nan 0.000 0.443 537 D N 4.549 124.867 120.400 -0.136 0.000 2.558 537 D HA 0.233 4.872 4.640 -0.001 0.000 0.221 537 D C 0.153 176.445 176.300 -0.014 0.000 1.143 537 D CA -0.041 53.926 54.000 -0.055 0.000 1.010 537 D CB 0.222 41.054 40.800 0.053 0.000 1.068 537 D HN 0.400 nan 8.370 nan 0.000 0.511 538 L N 2.221 123.422 121.223 -0.036 0.000 2.455 538 L HA 0.143 4.482 4.340 -0.001 0.000 0.272 538 L C 0.191 177.064 176.870 0.004 0.000 1.174 538 L CA 0.328 55.147 54.840 -0.035 0.000 0.869 538 L CB 0.630 42.667 42.059 -0.037 0.000 1.130 538 L HN 0.143 nan 8.230 nan 0.000 0.474 539 D N 3.008 123.417 120.400 0.015 0.000 2.404 539 D HA 0.215 4.854 4.640 -0.001 0.000 0.267 539 D C -0.691 175.648 176.300 0.065 0.000 1.194 539 D CA -0.161 53.866 54.000 0.044 0.000 0.910 539 D CB 1.523 42.360 40.800 0.062 0.000 1.090 539 D HN -0.001 nan 8.370 nan 0.000 0.511 540 V N 1.125 121.092 119.914 0.087 0.000 2.389 540 V HA 0.461 4.580 4.120 -0.001 0.000 0.264 540 V C 1.573 177.785 176.094 0.198 0.000 1.049 540 V CA 0.216 62.618 62.300 0.170 0.000 0.932 540 V CB 0.864 32.814 31.823 0.212 0.000 1.011 540 V HN 0.813 nan 8.190 nan 0.000 0.475 541 G N 3.585 112.527 108.800 0.236 0.000 2.189 541 G HA2 0.079 4.038 3.960 -0.001 0.000 0.267 541 G HA3 0.079 4.038 3.960 -0.001 0.000 0.267 541 G C 0.709 175.666 174.900 0.095 0.000 0.975 541 G CA 0.059 45.241 45.100 0.137 0.000 0.644 541 G HN 2.112 nan 8.290 nan 0.000 0.537 542 G N -2.959 105.899 108.800 0.096 0.000 2.361 542 G HA2 0.474 4.434 3.960 -0.001 0.000 0.331 542 G HA3 0.474 4.434 3.960 -0.001 0.000 0.331 542 G C 0.642 175.574 174.900 0.054 0.000 1.324 542 G CA 0.851 45.991 45.100 0.066 0.000 0.984 542 G HN 1.594 nan 8.290 nan 0.000 0.586 543 T N -1.801 112.769 114.554 0.027 0.000 2.904 543 T HA 0.097 4.447 4.350 -0.001 0.000 0.267 543 T C 1.205 175.918 174.700 0.023 0.000 1.059 543 T CA 1.645 63.748 62.100 0.005 0.000 1.137 543 T CB -0.002 68.843 68.868 -0.038 0.000 0.879 543 T HN 0.555 nan 8.240 nan 0.000 0.467 544 K N 2.321 122.739 120.400 0.031 0.000 2.315 544 K HA 0.205 4.524 4.320 -0.001 0.000 0.291 544 K C -0.702 175.930 176.600 0.053 0.000 1.074 544 K CA -0.070 56.241 56.287 0.039 0.000 0.936 544 K CB -0.055 32.466 32.500 0.035 0.000 1.049 544 K HN 0.473 nan 8.250 nan 0.000 0.471 545 N N 2.734 121.470 118.700 0.060 0.000 2.629 545 N HA 0.478 5.217 4.740 -0.001 0.000 0.279 545 N C -1.218 174.338 175.510 0.077 0.000 1.344 545 N CA -1.043 52.052 53.050 0.074 0.000 0.789 545 N CB 1.697 40.231 38.487 0.078 0.000 1.508 545 N HN 0.282 nan 8.380 nan 0.000 0.516 546 R N 0.232 120.785 120.500 0.088 0.000 2.795 546 R HA 0.683 5.022 4.340 -0.001 0.000 0.275 546 R C -1.368 175.002 176.300 0.117 0.000 0.981 546 R CA -0.813 55.343 56.100 0.094 0.000 0.917 546 R CB 2.106 32.454 30.300 0.080 0.000 1.202 546 R HN 0.548 nan 8.270 nan 0.000 0.469 547 A N 1.409 124.321 122.820 0.152 0.000 2.304 547 A HA 0.692 5.011 4.320 -0.001 0.000 0.323 547 A C -0.713 177.041 177.584 0.283 0.000 1.195 547 A CA -0.412 51.757 52.037 0.221 0.000 0.826 547 A CB 1.231 20.360 19.000 0.216 0.000 1.184 547 A HN 0.612 nan 8.150 nan 0.000 0.496 548 S N 0.565 116.399 115.700 0.222 0.000 2.627 548 S HA 0.684 5.154 4.470 -0.001 0.000 0.283 548 S C -0.999 173.615 174.600 0.024 0.000 1.127 548 S CA -0.750 57.459 58.200 0.015 0.000 0.863 548 S CB 1.783 64.922 63.200 -0.102 0.000 1.121 548 S HN 0.848 nan 8.310 nan 0.000 0.479 549 Q N 0.164 119.833 119.800 -0.219 0.000 2.372 549 Q HA 0.582 4.922 4.340 -0.001 0.000 0.273 549 Q C -1.971 173.894 176.000 -0.225 0.000 1.078 549 Q CA -0.812 54.932 55.803 -0.098 0.000 0.806 549 Q CB 1.259 29.965 28.738 -0.053 0.000 1.332 549 Q HN 0.650 nan 8.270 nan 0.000 0.435 550 Y N 1.253 121.529 120.300 -0.039 0.000 2.454 550 Y HA 0.332 4.881 4.550 -0.001 0.000 0.345 550 Y C -0.258 175.643 175.900 0.001 0.000 0.970 550 Y CA -0.628 57.462 58.100 -0.016 0.000 1.204 550 Y CB 1.502 39.965 38.460 0.006 0.000 1.122 550 Y HN 0.433 nan 8.280 nan 0.000 0.514 551 V N 5.874 125.839 119.914 0.085 0.000 2.546 551 V HA 0.258 4.377 4.120 -0.001 0.000 0.284 551 V C 0.095 176.244 176.094 0.092 0.000 1.050 551 V CA -0.475 61.864 62.300 0.065 0.000 0.981 551 V CB 1.017 32.845 31.823 0.008 0.000 0.990 551 V HN 0.716 nan 8.190 nan 0.000 0.474 552 M N 6.336 125.985 119.600 0.083 0.000 2.294 552 M HA 0.593 5.073 4.480 -0.001 0.000 0.335 552 M C -0.520 175.815 176.300 0.058 0.000 1.079 552 M CA -0.441 54.905 55.300 0.077 0.000 0.982 552 M CB 1.706 34.350 32.600 0.075 0.000 1.651 552 M HN 0.728 nan 8.290 nan 0.000 0.437 553 K N 1.145 121.576 120.400 0.053 0.000 2.532 553 K HA 0.489 4.808 4.320 -0.001 0.000 0.265 553 K C -1.708 174.917 176.600 0.042 0.000 0.948 553 K CA -1.100 55.213 56.287 0.042 0.000 0.842 553 K CB 1.972 34.492 32.500 0.033 0.000 1.392 553 K HN 0.684 nan 8.250 nan 0.000 0.436 554 D N 1.522 121.945 120.400 0.038 0.000 2.302 554 D HA 0.339 4.978 4.640 -0.001 0.000 0.248 554 D C -0.525 175.793 176.300 0.030 0.000 1.094 554 D CA -0.418 53.605 54.000 0.039 0.000 0.897 554 D CB 1.503 42.327 40.800 0.039 0.000 1.200 554 D HN 0.278 nan 8.370 nan 0.000 0.429 555 V N 0.742 120.674 119.914 0.030 0.000 3.012 555 V HA 0.232 4.352 4.120 -0.001 0.000 0.307 555 V C -0.906 175.194 176.094 0.009 0.000 1.166 555 V CA -1.096 61.211 62.300 0.012 0.000 0.974 555 V CB 2.135 33.960 31.823 0.003 0.000 1.040 555 V HN 0.537 nan 8.190 nan 0.000 0.428 556 D N 2.530 122.924 120.400 -0.010 0.000 2.232 556 D HA 0.631 5.271 4.640 -0.001 0.000 0.242 556 D C -0.176 176.082 176.300 -0.070 0.000 1.093 556 D CA 0.089 54.078 54.000 -0.019 0.000 0.845 556 D CB 2.003 42.792 40.800 -0.018 0.000 1.124 556 D HN 0.670 nan 8.370 nan 0.000 0.467 557 V N -0.677 119.166 119.914 -0.119 0.000 3.130 557 V HA 0.663 4.783 4.120 -0.001 0.000 0.310 557 V C -0.621 175.278 176.094 -0.325 0.000 1.158 557 V CA -0.952 61.184 62.300 -0.273 0.000 1.029 557 V CB 2.535 34.079 31.823 -0.465 0.000 1.057 557 V HN 0.445 nan 8.190 nan 0.000 0.436 558 E N 0.687 120.649 120.200 -0.397 0.000 2.238 558 E HA 0.552 4.902 4.350 -0.001 0.000 0.267 558 E C -1.984 174.267 176.600 -0.581 0.000 0.887 558 E CA -0.744 55.439 56.400 -0.362 0.000 0.769 558 E CB 2.323 31.914 29.700 -0.181 0.000 1.187 558 E HN 0.772 nan 8.360 nan 0.000 0.416 559 Y N 2.562 122.595 120.300 -0.446 0.000 2.420 559 Y HA 0.286 4.836 4.550 -0.001 0.000 0.334 559 Y C -1.354 174.189 175.900 -0.596 0.000 1.094 559 Y CA -1.926 55.732 58.100 -0.736 0.000 1.126 559 Y CB 1.417 38.861 38.460 -1.693 0.000 1.217 559 Y HN 0.508 nan 8.280 nan 0.000 0.462 560 P HA -0.161 nan 4.420 nan 0.000 0.220 560 P C 0.900 178.185 177.300 -0.025 0.000 1.148 560 P CA 1.619 64.658 63.100 -0.102 0.000 0.803 560 P CB 0.035 31.734 31.700 -0.002 0.000 0.782 561 W N -0.720 120.629 121.300 0.082 0.000 3.256 561 W HA 0.581 5.241 4.660 -0.001 0.000 0.269 561 W C -0.228 176.333 176.519 0.070 0.000 1.310 561 W CA 0.079 57.451 57.345 0.045 0.000 1.673 561 W CB -0.300 29.154 29.460 -0.009 0.000 1.115 561 W HN -0.085 nan 8.180 nan 0.000 0.686 562 A N 1.852 124.687 122.820 0.024 0.000 3.300 562 A HA 0.481 4.801 4.320 -0.001 0.000 0.300 562 A C -2.807 174.800 177.584 0.039 0.000 1.099 562 A CA -1.078 51.037 52.037 0.130 0.000 0.846 562 A CB 0.025 19.194 19.000 0.281 0.000 1.255 562 A HN -0.230 nan 8.150 nan 0.000 0.519 563 P HA 0.348 nan 4.420 nan 0.000 0.268 563 P C 1.207 178.516 177.300 0.015 0.000 1.204 563 P CA 1.964 65.066 63.100 0.003 0.000 0.768 563 P CB 0.944 32.652 31.700 0.013 0.000 0.842 564 G N 1.675 110.473 108.800 -0.004 0.000 2.176 564 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.253 564 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.253 564 G C 0.151 175.052 174.900 0.002 0.000 0.979 564 G CA 0.086 45.184 45.100 -0.002 0.000 0.641 564 G HN 0.604 nan 8.290 nan 0.000 0.530 565 T N 1.374 115.943 114.554 0.025 0.000 2.743 565 T HA 0.548 4.897 4.350 -0.001 0.000 0.292 565 T C 0.309 175.031 174.700 0.038 0.000 0.972 565 T CA -0.330 61.784 62.100 0.024 0.000 0.967 565 T CB 2.245 71.169 68.868 0.093 0.000 0.926 565 T HN 0.396 nan 8.240 nan 0.000 0.459 566 V N 4.748 124.640 119.914 -0.037 0.000 2.498 566 V HA 0.336 4.456 4.120 -0.001 0.000 0.279 566 V C -0.722 175.336 176.094 -0.061 0.000 1.048 566 V CA -0.571 61.717 62.300 -0.020 0.000 0.967 566 V CB 0.160 31.959 31.823 -0.040 0.000 0.988 566 V HN 0.741 nan 8.190 nan 0.000 0.473 567 Y N 2.806 123.087 120.300 -0.031 0.000 2.377 567 Y HA 0.339 4.889 4.550 -0.001 0.000 0.339 567 Y C 0.601 176.507 175.900 0.011 0.000 1.011 567 Y CA -0.626 57.501 58.100 0.045 0.000 1.093 567 Y CB 1.473 40.039 38.460 0.177 0.000 1.201 567 Y HN 0.603 nan 8.280 nan 0.000 0.455 568 N N 2.224 121.020 118.700 0.160 0.000 2.420 568 N HA 0.226 4.966 4.740 -0.001 0.000 0.249 568 N C -0.751 174.853 175.510 0.157 0.000 1.033 568 N CA 0.269 53.386 53.050 0.111 0.000 0.944 568 N CB 0.873 39.397 38.487 0.062 0.000 1.113 568 N HN 0.770 nan 8.380 nan 0.000 0.502 569 T N 1.523 116.160 114.554 0.137 0.000 2.604 569 T HA 0.480 4.830 4.350 -0.001 0.000 0.267 569 T C -1.459 173.298 174.700 0.096 0.000 0.923 569 T CA -0.566 61.622 62.100 0.146 0.000 1.077 569 T CB 1.053 70.043 68.868 0.203 0.000 1.392 569 T HN 0.608 nan 8.240 nan 0.000 0.531 570 K N 0.891 121.347 120.400 0.094 0.000 2.426 570 K HA 0.740 5.059 4.320 -0.001 0.000 0.251 570 K C -1.254 175.390 176.600 0.074 0.000 0.941 570 K CA -0.946 55.384 56.287 0.072 0.000 0.808 570 K CB 2.276 34.815 32.500 0.065 0.000 1.265 570 K HN 0.564 nan 8.250 nan 0.000 0.432 571 Q N 1.486 121.325 119.800 0.065 0.000 2.456 571 Q HA 0.497 4.837 4.340 -0.001 0.000 0.283 571 Q C -0.738 175.309 176.000 0.079 0.000 1.084 571 Q CA -1.175 54.669 55.803 0.070 0.000 0.801 571 Q CB 2.656 31.429 28.738 0.057 0.000 1.434 571 Q HN 0.762 nan 8.270 nan 0.000 0.419 572 I N -1.761 118.869 120.570 0.100 0.000 2.577 572 I HA 0.930 5.100 4.170 -0.001 0.000 0.305 572 I C -0.782 175.420 176.117 0.142 0.000 0.986 572 I CA -0.859 60.529 61.300 0.147 0.000 1.189 572 I CB 1.801 39.925 38.000 0.207 0.000 1.355 572 I HN 0.527 nan 8.210 nan 0.000 0.476 573 A N 4.322 127.220 122.820 0.130 0.000 2.402 573 A HA 0.575 4.895 4.320 -0.001 0.000 0.291 573 A C -0.614 176.934 177.584 -0.061 0.000 1.051 573 A CA -0.755 51.309 52.037 0.045 0.000 0.716 573 A CB 1.273 20.274 19.000 0.002 0.000 1.223 573 A HN 0.863 nan 8.150 nan 0.000 0.425 574 R N 2.246 122.633 120.500 -0.187 0.000 2.298 574 R HA 0.415 4.755 4.340 -0.001 0.000 0.310 574 R C -0.857 175.250 176.300 -0.321 0.000 1.068 574 R CA 0.191 55.984 56.100 -0.512 0.000 0.957 574 R CB 0.488 30.409 30.300 -0.631 0.000 1.003 574 R HN 0.752 nan 8.270 nan 0.000 0.454 575 E N 3.477 123.461 120.200 -0.360 0.000 2.224 575 E HA 0.220 4.569 4.350 -0.001 0.000 0.265 575 E C -1.029 175.335 176.600 -0.393 0.000 0.878 575 E CA -0.984 55.223 56.400 -0.322 0.000 0.759 575 E CB 2.620 32.123 29.700 -0.328 0.000 1.164 575 E HN 0.297 nan 8.360 nan 0.000 0.414 576 V N 3.509 123.257 119.914 -0.276 0.000 2.498 576 V HA 0.161 4.280 4.120 -0.001 0.000 0.279 576 V C -0.209 175.751 176.094 -0.223 0.000 1.048 576 V CA -0.312 61.869 62.300 -0.198 0.000 0.967 576 V CB 0.148 31.924 31.823 -0.077 0.000 0.988 576 V HN 0.608 nan 8.190 nan 0.000 0.473 577 F N 3.644 123.583 119.950 -0.018 0.000 2.541 577 F HA 0.194 4.720 4.527 -0.001 0.000 0.347 577 F C 1.491 177.298 175.800 0.013 0.000 1.242 577 F CA 0.088 58.087 58.000 -0.001 0.000 1.123 577 F CB 0.114 39.116 39.000 0.003 0.000 1.354 577 F HN 0.634 nan 8.300 nan 0.000 0.621 578 E N 1.394 121.681 120.200 0.145 0.000 2.216 578 E HA -0.055 4.294 4.350 -0.001 0.000 0.192 578 E C -0.033 176.632 176.600 0.109 0.000 0.988 578 E CA 0.654 57.113 56.400 0.099 0.000 0.834 578 E CB 0.152 29.885 29.700 0.055 0.000 0.772 578 E HN 0.587 nan 8.360 nan 0.000 0.479 579 N N -0.085 118.694 118.700 0.131 0.000 2.455 579 N HA 0.133 4.873 4.740 -0.001 0.000 0.278 579 N C -1.388 174.198 175.510 0.127 0.000 1.291 579 N CA -0.632 52.486 53.050 0.113 0.000 0.780 579 N CB 1.552 40.096 38.487 0.095 0.000 1.520 579 N HN -0.111 nan 8.380 nan 0.000 0.486 580 E N 0.429 120.696 120.200 0.112 0.000 2.465 580 E HA -0.018 4.332 4.350 -0.001 0.000 0.260 580 E C -0.996 175.685 176.600 0.135 0.000 0.980 580 E CA 0.471 56.942 56.400 0.118 0.000 0.927 580 E CB 0.430 30.198 29.700 0.114 0.000 0.934 580 E HN 0.287 nan 8.360 nan 0.000 0.459 581 D N 3.009 123.489 120.400 0.133 0.000 2.349 581 D HA 0.040 4.679 4.640 -0.001 0.000 0.232 581 D C 0.089 176.512 176.300 0.204 0.000 1.071 581 D CA -0.493 53.597 54.000 0.150 0.000 0.832 581 D CB 0.664 41.518 40.800 0.091 0.000 1.086 581 D HN 0.334 nan 8.370 nan 0.000 0.504 582 F N 4.147 124.158 119.950 0.102 0.000 2.202 582 F HA -0.196 4.330 4.527 -0.001 0.000 0.301 582 F C 1.577 177.493 175.800 0.193 0.000 1.082 582 F CA 1.316 59.391 58.000 0.125 0.000 1.313 582 F CB 0.182 39.220 39.000 0.063 0.000 1.024 582 F HN 0.365 nan 8.300 nan 0.000 0.495 583 N N 0.599 119.421 118.700 0.204 0.000 2.515 583 N HA 0.104 4.844 4.740 -0.001 0.000 0.185 583 N C 1.256 176.674 175.510 -0.153 0.000 1.109 583 N CA 0.957 54.048 53.050 0.067 0.000 0.903 583 N CB -0.527 37.997 38.487 0.062 0.000 0.969 583 N HN 0.467 nan 8.380 nan 0.000 0.450 584 G N 0.976 109.646 108.800 -0.216 0.000 2.601 584 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.261 584 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.261 584 G C -0.486 174.112 174.900 -0.503 0.000 1.289 584 G CA -0.193 44.476 45.100 -0.717 0.000 0.920 584 G HN 0.211 nan 8.290 nan 0.000 0.571 585 I N 1.080 121.267 120.570 -0.637 0.000 2.533 585 I HA 0.370 4.539 4.170 -0.001 0.000 0.290 585 I C -0.639 175.151 176.117 -0.545 0.000 1.056 585 I CA -0.870 60.136 61.300 -0.490 0.000 1.057 585 I CB 2.176 39.835 38.000 -0.567 0.000 1.240 585 I HN 0.432 nan 8.210 nan 0.000 0.423 586 N N 4.290 122.775 118.700 -0.357 0.000 2.370 586 N HA 0.354 5.093 4.740 -0.001 0.000 0.303 586 N C -1.200 174.179 175.510 -0.220 0.000 1.103 586 N CA -0.558 52.304 53.050 -0.313 0.000 0.848 586 N CB 1.487 39.923 38.487 -0.084 0.000 1.235 586 N HN 0.399 nan 8.380 nan 0.000 0.496 587 W N 2.043 123.352 121.300 0.015 0.000 2.231 587 W HA 0.143 4.803 4.660 -0.001 0.000 0.341 587 W C -1.289 175.247 176.519 0.028 0.000 1.298 587 W CA -0.951 56.404 57.345 0.016 0.000 1.266 587 W CB -0.168 29.297 29.460 0.008 0.000 1.172 587 W HN 0.279 nan 8.180 nan 0.000 0.568 588 P HA -0.001 nan 4.420 nan 0.000 0.275 588 P C -0.546 176.838 177.300 0.140 0.000 1.228 588 P CA -0.310 62.895 63.100 0.174 0.000 0.786 588 P CB 0.763 32.560 31.700 0.161 0.000 0.927 589 E N 2.139 122.399 120.200 0.100 0.000 2.529 589 E HA -0.153 4.197 4.350 -0.001 0.000 0.259 589 E C 0.447 177.086 176.600 0.065 0.000 0.966 589 E CA 0.212 56.658 56.400 0.076 0.000 0.937 589 E CB -0.241 29.494 29.700 0.059 0.000 0.923 589 E HN 0.466 nan 8.360 nan 0.000 0.468 590 N N 3.153 121.884 118.700 0.053 0.000 2.714 590 N HA -0.220 4.520 4.740 -0.001 0.000 0.250 590 N C 0.385 175.918 175.510 0.039 0.000 1.117 590 N CA 1.664 54.737 53.050 0.039 0.000 0.719 590 N CB -1.370 37.138 38.487 0.035 0.000 1.081 590 N HN 0.868 nan 8.380 nan 0.000 0.557 591 G N -0.597 108.233 108.800 0.050 0.000 2.258 591 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.274 591 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.274 591 G C 0.085 175.020 174.900 0.059 0.000 1.021 591 G CA 0.625 45.753 45.100 0.046 0.000 0.798 591 G HN 0.668 nan 8.290 nan 0.000 0.507 592 Q N 0.045 119.889 119.800 0.072 0.000 2.945 592 Q HA 0.465 4.805 4.340 -0.001 0.000 0.323 592 Q C 0.895 176.949 176.000 0.091 0.000 1.188 592 Q CA 0.409 56.255 55.803 0.072 0.000 0.929 592 Q CB 0.211 28.986 28.738 0.062 0.000 1.531 592 Q HN 0.770 nan 8.270 nan 0.000 0.444 593 G N 0.214 109.077 108.800 0.106 0.000 2.489 593 G HA2 0.482 4.441 3.960 -0.001 0.000 0.291 593 G HA3 0.482 4.441 3.960 -0.001 0.000 0.291 593 G C -1.606 173.373 174.900 0.132 0.000 1.487 593 G CA -0.715 44.462 45.100 0.128 0.000 0.795 593 G HN 0.196 nan 8.290 nan 0.000 0.513 594 I N 0.618 121.270 120.570 0.136 0.000 2.466 594 I HA 0.395 4.564 4.170 -0.001 0.000 0.289 594 I C -0.869 175.317 176.117 0.116 0.000 1.026 594 I CA -0.864 60.487 61.300 0.086 0.000 1.078 594 I CB 2.092 40.090 38.000 -0.003 0.000 1.249 594 I HN 0.383 nan 8.210 nan 0.000 0.429 595 L N 8.093 129.408 121.223 0.154 0.000 2.282 595 L HA 0.596 4.936 4.340 -0.001 0.000 0.288 595 L C -1.149 175.776 176.870 0.090 0.000 1.033 595 L CA 0.013 54.970 54.840 0.195 0.000 0.807 595 L CB 0.834 43.069 42.059 0.293 0.000 1.209 595 L HN 0.430 nan 8.230 nan 0.000 0.423 596 L N 5.709 126.982 121.223 0.084 0.000 2.362 596 L HA 0.548 4.888 4.340 -0.001 0.000 0.271 596 L C -0.814 176.124 176.870 0.112 0.000 1.002 596 L CA -0.890 53.978 54.840 0.047 0.000 0.818 596 L CB 2.134 44.188 42.059 -0.007 0.000 1.298 596 L HN 0.410 nan 8.230 nan 0.000 0.420 597 I N 2.207 122.852 120.570 0.126 0.000 2.312 597 I HA 0.339 4.509 4.170 -0.001 0.000 0.290 597 I C 0.051 176.264 176.117 0.161 0.000 1.008 597 I CA -0.262 61.116 61.300 0.131 0.000 1.226 597 I CB 1.308 39.374 38.000 0.110 0.000 1.371 597 I HN 0.666 nan 8.210 nan 0.000 0.468 598 E N 3.123 123.411 120.200 0.147 0.000 2.212 598 E HA 0.307 4.657 4.350 -0.001 0.000 0.270 598 E C -0.390 176.294 176.600 0.140 0.000 0.956 598 E CA -0.672 55.825 56.400 0.161 0.000 0.825 598 E CB 2.070 31.855 29.700 0.141 0.000 1.167 598 E HN 0.489 nan 8.360 nan 0.000 0.400 599 S N 0.865 116.653 115.700 0.147 0.000 2.549 599 S HA 0.132 4.602 4.470 -0.001 0.000 0.283 599 S C 0.939 175.592 174.600 0.088 0.000 1.320 599 S CA 0.193 58.461 58.200 0.112 0.000 1.058 599 S CB 0.868 64.129 63.200 0.101 0.000 0.882 599 S HN 0.627 nan 8.310 nan 0.000 0.498 600 A N 4.244 127.108 122.820 0.072 0.000 1.968 600 A HA 0.040 4.360 4.320 -0.001 0.000 0.217 600 A C 1.859 179.473 177.584 0.051 0.000 1.169 600 A CA 0.974 53.047 52.037 0.060 0.000 0.638 600 A CB -0.228 18.803 19.000 0.052 0.000 0.812 600 A HN 0.846 nan 8.150 nan 0.000 0.446 601 E N -0.267 119.960 120.200 0.046 0.000 2.367 601 E HA 0.095 4.445 4.350 -0.001 0.000 0.204 601 E C -0.048 176.570 176.600 0.030 0.000 0.840 601 E CA 0.006 56.427 56.400 0.035 0.000 1.051 601 E CB -0.140 29.577 29.700 0.028 0.000 1.051 601 E HN 0.679 nan 8.360 nan 0.000 0.509 602 E N 2.208 122.426 120.200 0.029 0.000 2.316 602 E HA 0.193 4.543 4.350 -0.001 0.000 0.275 602 E C 0.046 176.654 176.600 0.014 0.000 1.029 602 E CA 0.145 56.552 56.400 0.011 0.000 0.871 602 E CB 0.886 30.585 29.700 -0.001 0.000 1.022 602 E HN 0.063 nan 8.360 nan 0.000 0.418 603 T N -0.011 114.540 114.554 -0.004 0.000 2.926 603 T HA 0.330 4.679 4.350 -0.001 0.000 0.289 603 T C 0.107 174.781 174.700 -0.042 0.000 1.054 603 T CA -1.203 60.897 62.100 -0.000 0.000 1.015 603 T CB 1.303 70.179 68.868 0.012 0.000 1.167 603 T HN 0.479 nan 8.240 nan 0.000 0.526 604 N N 0.170 118.847 118.700 -0.037 0.000 2.374 604 N HA 0.210 4.950 4.740 -0.001 0.000 0.284 604 N C 1.012 176.406 175.510 -0.193 0.000 1.280 604 N CA -0.567 52.426 53.050 -0.095 0.000 0.963 604 N CB -0.433 38.030 38.487 -0.039 0.000 1.141 604 N HN 0.511 nan 8.380 nan 0.000 0.565 605 S N -1.356 114.094 115.700 -0.417 0.000 2.474 605 S HA 0.049 4.519 4.470 -0.001 0.000 0.235 605 S C 0.726 174.898 174.600 -0.714 0.000 0.997 605 S CA 0.695 58.511 58.200 -0.640 0.000 0.949 605 S CB -0.679 62.003 63.200 -0.863 0.000 0.766 605 S HN 0.536 nan 8.310 nan 0.000 0.517 606 F N 0.364 120.318 119.950 0.007 0.000 2.664 606 F HA 0.386 4.913 4.527 -0.000 0.000 0.303 606 F C 1.745 177.555 175.800 0.018 0.000 1.092 606 F CA 0.006 58.011 58.000 0.008 0.000 1.305 606 F CB 0.153 39.153 39.000 -0.000 0.000 1.054 606 F HN 0.248 nan 8.300 nan 0.000 0.565 607 G N 0.153 109.000 108.800 0.079 0.000 2.175 607 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.244 607 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.244 607 G C -0.028 174.930 174.900 0.096 0.000 0.982 607 G CA -0.547 44.598 45.100 0.076 0.000 0.641 607 G HN 0.284 nan 8.290 nan 0.000 0.527 608 N N 1.874 120.646 118.700 0.119 0.000 2.499 608 N HA 0.418 5.157 4.740 -0.001 0.000 0.281 608 N C -2.744 172.841 175.510 0.124 0.000 1.098 608 N CA -1.145 51.990 53.050 0.141 0.000 0.979 608 N CB 1.232 39.813 38.487 0.157 0.000 1.121 608 N HN 0.055 nan 8.380 nan 0.000 0.466 609 P HA 0.025 nan 4.420 nan 0.000 0.264 609 P C -0.086 177.309 177.300 0.159 0.000 1.193 609 P CA 0.264 63.445 63.100 0.135 0.000 0.763 609 P CB 0.503 32.292 31.700 0.150 0.000 0.810 610 R N 2.243 122.813 120.500 0.116 0.000 2.522 610 R HA 0.486 4.825 4.340 -0.001 0.000 0.284 610 R C 0.235 176.697 176.300 0.271 0.000 1.032 610 R CA 0.216 56.397 56.100 0.135 0.000 1.049 610 R CB 0.262 30.568 30.300 0.010 0.000 0.956 610 R HN 0.501 nan 8.270 nan 0.000 0.422 611 A N 3.056 126.090 122.820 0.356 0.000 2.594 611 A HA 0.608 4.928 4.320 -0.001 0.000 0.291 611 A C -1.883 175.899 177.584 0.330 0.000 1.105 611 A CA -0.622 51.626 52.037 0.351 0.000 0.694 611 A CB 1.308 20.502 19.000 0.325 0.000 1.291 611 A HN 0.596 nan 8.150 nan 0.000 0.410 612 Y N 0.602 120.973 120.300 0.118 0.000 2.425 612 Y HA 0.424 4.974 4.550 -0.000 0.000 0.344 612 Y C 0.320 176.250 175.900 0.050 0.000 0.969 612 Y CA -0.407 57.725 58.100 0.053 0.000 1.052 612 Y CB 2.148 40.587 38.460 -0.034 0.000 1.215 612 Y HN 0.810 nan 8.280 nan 0.000 0.451 613 N N 4.265 123.021 118.700 0.093 0.000 2.434 613 N HA 0.386 5.126 4.740 -0.001 0.000 0.272 613 N C -1.187 174.384 175.510 0.102 0.000 1.040 613 N CA -0.325 52.743 53.050 0.030 0.000 0.956 613 N CB 0.658 39.138 38.487 -0.013 0.000 1.108 613 N HN 0.595 nan 8.380 nan 0.000 0.481 614 I N 4.145 124.786 120.570 0.119 0.000 2.301 614 I HA 0.171 4.340 4.170 -0.001 0.000 0.292 614 I C 0.168 176.330 176.117 0.074 0.000 1.046 614 I CA -0.136 61.254 61.300 0.149 0.000 1.282 614 I CB 0.903 39.014 38.000 0.185 0.000 1.409 614 I HN 0.481 nan 8.210 nan 0.000 0.484 615 M N 10.157 129.744 119.600 -0.023 0.000 2.167 615 M HA 0.497 4.976 4.480 -0.001 0.000 0.333 615 M C -2.585 173.514 176.300 -0.334 0.000 1.030 615 M CA -1.815 53.366 55.300 -0.198 0.000 0.963 615 M CB 1.912 34.444 32.600 -0.113 0.000 1.589 615 M HN 0.172 nan 8.290 nan 0.000 0.431 616 P HA 0.281 nan 4.420 nan 0.000 0.275 616 P C -0.646 176.419 177.300 -0.391 0.000 1.227 616 P CA -0.003 62.662 63.100 -0.726 0.000 0.781 616 P CB 1.299 32.081 31.700 -1.530 0.000 0.906 617 G N 1.570 110.222 108.800 -0.248 0.000 3.099 617 G HA2 0.570 4.530 3.960 -0.001 0.000 0.151 617 G HA3 0.570 4.530 3.960 -0.001 0.000 0.151 617 G C 0.032 174.818 174.900 -0.191 0.000 1.265 617 G CA -0.557 44.424 45.100 -0.198 0.000 0.981 617 G HN 0.592 nan 8.290 nan 0.000 0.601 618 G N -1.943 106.745 108.800 -0.188 0.000 2.569 618 G HA2 0.503 4.462 3.960 -0.001 0.000 0.249 618 G HA3 0.503 4.462 3.960 -0.001 0.000 0.249 618 G C 1.072 175.872 174.900 -0.166 0.000 1.216 618 G CA 0.747 45.748 45.100 -0.165 0.000 0.845 618 G HN 1.920 nan 8.290 nan 0.000 0.568 619 G N -0.823 107.912 108.800 -0.109 0.000 2.160 619 G HA2 0.043 4.002 3.960 -0.001 0.000 0.244 619 G HA3 0.043 4.002 3.960 -0.001 0.000 0.244 619 G C 0.831 175.725 174.900 -0.010 0.000 1.022 619 G CA 0.569 45.620 45.100 -0.083 0.000 0.741 619 G HN 1.644 nan 8.290 nan 0.000 0.508 620 G N -0.157 108.653 108.800 0.017 0.000 3.316 620 G HA2 0.606 4.565 3.960 -0.001 0.000 0.255 620 G HA3 0.606 4.565 3.960 -0.001 0.000 0.255 620 G C 0.424 175.430 174.900 0.178 0.000 0.880 620 G CA 0.553 45.759 45.100 0.177 0.000 1.956 620 G HN 1.734 nan 8.290 nan 0.000 0.634 621 V N -0.981 118.966 119.914 0.054 0.000 3.040 621 V HA 0.928 5.048 4.120 -0.001 0.000 0.312 621 V C -0.519 175.558 176.094 -0.029 0.000 1.115 621 V CA -1.325 60.925 62.300 -0.084 0.000 0.998 621 V CB 1.710 33.353 31.823 -0.300 0.000 1.042 621 V HN 0.632 nan 8.190 nan 0.000 0.433 622 H N 0.780 119.888 119.070 0.062 0.000 2.824 622 H HA 0.751 5.306 4.556 -0.001 0.000 0.345 622 H C -0.127 175.248 175.328 0.078 0.000 1.252 622 H CA -1.190 54.887 56.048 0.048 0.000 1.246 622 H CB 0.713 30.486 29.762 0.018 0.000 1.908 622 H HN 0.718 nan 8.280 nan 0.000 0.601 623 R N 0.036 120.677 120.500 0.235 0.000 2.640 623 R HA 0.057 4.397 4.340 -0.001 0.000 0.270 623 R C 0.681 177.075 176.300 0.156 0.000 1.024 623 R CA 0.397 56.560 56.100 0.105 0.000 1.085 623 R CB 0.310 30.590 30.300 -0.033 0.000 0.963 623 R HN 0.606 nan 8.270 nan 0.000 0.426 624 I N 1.651 122.232 120.570 0.018 0.000 2.235 624 I HA -0.117 4.052 4.170 -0.001 0.000 0.241 624 I C 0.605 176.701 176.117 -0.035 0.000 1.085 624 I CA 0.704 61.980 61.300 -0.040 0.000 1.378 624 I CB 0.056 37.964 38.000 -0.154 0.000 1.076 624 I HN 0.284 nan 8.210 nan 0.000 0.415 625 V N 2.973 122.835 119.914 -0.088 0.000 2.655 625 V HA -0.049 4.071 4.120 -0.001 0.000 0.300 625 V C 1.136 177.206 176.094 -0.040 0.000 1.044 625 V CA 0.341 62.596 62.300 -0.076 0.000 1.095 625 V CB 0.830 32.576 31.823 -0.128 0.000 0.952 625 V HN 0.289 nan 8.190 nan 0.000 0.485 626 K N 2.976 123.364 120.400 -0.020 0.000 2.244 626 K HA 0.164 4.484 4.320 -0.001 0.000 0.200 626 K C 0.249 176.846 176.600 -0.005 0.000 1.052 626 K CA 0.654 56.936 56.287 -0.009 0.000 0.980 626 K CB 0.111 32.613 32.500 0.003 0.000 0.838 626 K HN 0.691 nan 8.250 nan 0.000 0.481 627 N N 0.837 119.536 118.700 -0.001 0.000 2.762 627 N HA 0.071 4.810 4.740 -0.001 0.000 0.252 627 N C -1.453 174.063 175.510 0.009 0.000 1.269 627 N CA -0.121 52.933 53.050 0.006 0.000 0.799 627 N CB 1.610 40.104 38.487 0.012 0.000 1.173 627 N HN -0.122 nan 8.380 nan 0.000 0.516 628 S N 0.619 116.335 115.700 0.027 0.000 2.513 628 S HA 0.233 4.703 4.470 -0.001 0.000 0.276 628 S C 1.344 175.953 174.600 0.016 0.000 1.254 628 S CA -0.471 57.759 58.200 0.050 0.000 1.053 628 S CB 0.769 64.089 63.200 0.200 0.000 0.958 628 S HN 0.449 nan 8.310 nan 0.000 0.491 629 R N 2.685 123.196 120.500 0.018 0.000 2.193 629 R HA -0.010 4.330 4.340 -0.001 0.000 0.229 629 R C 1.492 177.784 176.300 -0.013 0.000 1.110 629 R CA 1.265 57.377 56.100 0.020 0.000 0.988 629 R CB -0.133 30.201 30.300 0.057 0.000 0.871 629 R HN 0.501 nan 8.270 nan 0.000 0.458 630 S N -0.899 114.816 115.700 0.025 0.000 2.575 630 S HA 0.135 4.604 4.470 -0.001 0.000 0.215 630 S C 0.668 175.151 174.600 -0.197 0.000 0.966 630 S CA 0.403 58.603 58.200 -0.001 0.000 0.911 630 S CB 1.401 64.671 63.200 0.117 0.000 0.780 630 S HN 0.490 nan 8.310 nan 0.000 0.514 631 G N 1.931 110.585 108.800 -0.244 0.000 4.485 631 G HA2 0.354 4.314 3.960 -0.001 0.000 0.238 631 G HA3 0.354 4.314 3.960 -0.001 0.000 0.238 631 G C -2.552 172.145 174.900 -0.338 0.000 1.216 631 G CA -0.586 44.179 45.100 -0.558 0.000 0.611 631 G HN 0.057 nan 8.290 nan 0.000 0.422 632 P HA -0.027 nan 4.420 nan 0.000 0.215 632 P C 1.102 178.258 177.300 -0.241 0.000 1.157 632 P CA 1.275 64.194 63.100 -0.302 0.000 0.863 632 P CB 0.509 31.860 31.700 -0.581 0.000 0.787 633 E N -2.460 117.565 120.200 -0.291 0.000 2.641 633 E HA 0.079 4.429 4.350 -0.001 0.000 0.224 633 E C 1.165 177.644 176.600 -0.201 0.000 0.951 633 E CA 0.476 56.762 56.400 -0.190 0.000 1.102 633 E CB -0.249 29.381 29.700 -0.117 0.000 1.091 633 E HN 0.319 nan 8.360 nan 0.000 0.507 634 T N -1.229 113.162 114.554 -0.272 0.000 3.067 634 T HA 0.060 4.409 4.350 -0.001 0.000 0.257 634 T C 1.042 175.619 174.700 -0.204 0.000 1.105 634 T CA 0.379 62.336 62.100 -0.238 0.000 1.104 634 T CB 0.210 68.891 68.868 -0.310 0.000 0.925 634 T HN -0.151 nan 8.240 nan 0.000 0.498 635 Q N 0.750 120.367 119.800 -0.306 0.000 2.632 635 Q HA 0.335 4.674 4.340 -0.001 0.000 0.352 635 Q C -0.232 175.326 176.000 -0.736 0.000 0.821 635 Q CA -0.253 55.282 55.803 -0.447 0.000 1.060 635 Q CB 0.482 28.963 28.738 -0.429 0.000 1.429 635 Q HN 0.291 nan 8.270 nan 0.000 0.391 636 N N 0.430 118.857 118.700 -0.455 0.000 2.515 636 N HA -0.049 4.690 4.740 -0.001 0.000 0.185 636 N C 1.276 176.504 175.510 -0.470 0.000 1.109 636 N CA 0.413 53.241 53.050 -0.370 0.000 0.903 636 N CB 0.170 38.544 38.487 -0.189 0.000 0.969 636 N HN 0.577 nan 8.380 nan 0.000 0.450 637 W N -0.150 120.775 121.300 -0.626 0.000 2.800 637 W HA 0.277 4.936 4.660 -0.000 0.000 0.249 637 W C 0.833 177.152 176.519 -0.334 0.000 1.294 637 W CA 0.139 56.825 57.345 -1.099 0.000 1.402 637 W CB -0.575 27.911 29.460 -1.623 0.000 1.126 637 W HN -0.061 nan 8.180 nan 0.000 0.652 638 A N 2.022 124.297 122.820 -0.908 0.000 2.302 638 A HA 0.051 4.371 4.320 -0.001 0.000 0.219 638 A C 2.039 179.489 177.584 -0.222 0.000 1.243 638 A CA 0.149 51.765 52.037 -0.703 0.000 0.856 638 A CB -0.680 17.542 19.000 -1.296 0.000 0.893 638 A HN 0.445 nan 8.150 nan 0.000 0.491 639 R N -1.621 118.787 120.500 -0.152 0.000 2.334 639 R HA 0.315 4.654 4.340 -0.001 0.000 0.212 639 R C -0.183 175.813 176.300 -0.508 0.000 0.897 639 R CA 0.507 56.486 56.100 -0.201 0.000 1.056 639 R CB 0.106 30.322 30.300 -0.139 0.000 1.046 639 R HN 0.218 nan 8.270 nan 0.000 0.513 640 S N -0.041 115.456 115.700 -0.338 0.000 2.697 640 S HA 0.263 4.733 4.470 -0.001 0.000 0.289 640 S C -0.282 174.175 174.600 -0.238 0.000 1.149 640 S CA -0.884 56.984 58.200 -0.553 0.000 0.850 640 S CB 1.976 64.749 63.200 -0.712 0.000 1.151 640 S HN 0.158 nan 8.310 nan 0.000 0.491 641 N N -0.152 118.405 118.700 -0.237 0.000 2.188 641 N HA 0.079 4.819 4.740 -0.001 0.000 0.184 641 N C -0.056 175.276 175.510 -0.297 0.000 1.018 641 N CA 0.999 53.920 53.050 -0.214 0.000 0.858 641 N CB -0.143 38.010 38.487 -0.557 0.000 0.989 641 N HN 0.418 nan 8.380 nan 0.000 0.426 642 L N -3.113 117.798 121.223 -0.520 0.000 2.710 642 L HA 0.553 4.892 4.340 -0.001 0.000 0.260 642 L C -1.992 174.554 176.870 -0.541 0.000 0.993 642 L CA -1.320 53.305 54.840 -0.358 0.000 0.877 642 L CB 0.678 42.512 42.059 -0.375 0.000 1.461 642 L HN -0.233 nan 8.230 nan 0.000 0.413 643 F N 1.736 121.711 119.950 0.041 0.000 2.563 643 F HA 0.811 5.338 4.527 -0.001 0.000 0.316 643 F C -0.575 175.346 175.800 0.201 0.000 1.076 643 F CA -0.616 57.460 58.000 0.127 0.000 0.921 643 F CB 2.267 41.471 39.000 0.340 0.000 1.209 643 F HN 0.422 nan 8.300 nan 0.000 0.462 644 L N 2.317 123.702 121.223 0.270 0.000 2.333 644 L HA 0.738 5.077 4.340 -0.001 0.000 0.280 644 L C -0.331 176.696 176.870 0.263 0.000 1.004 644 L CA -0.564 54.394 54.840 0.197 0.000 0.820 644 L CB 2.084 44.130 42.059 -0.021 0.000 1.247 644 L HN 0.772 nan 8.230 nan 0.000 0.416 645 T N -1.028 113.720 114.554 0.323 0.000 2.901 645 T HA 0.397 4.747 4.350 -0.001 0.000 0.293 645 T C -0.673 174.141 174.700 0.190 0.000 1.084 645 T CA -1.022 61.240 62.100 0.271 0.000 1.008 645 T CB 2.190 71.286 68.868 0.380 0.000 1.170 645 T HN 0.485 nan 8.240 nan 0.000 0.509 646 K N 1.505 121.981 120.400 0.126 0.000 2.339 646 K HA 0.087 4.407 4.320 -0.001 0.000 0.286 646 K C 0.197 176.850 176.600 0.087 0.000 1.050 646 K CA -0.556 55.792 56.287 0.102 0.000 0.956 646 K CB 0.283 32.825 32.500 0.070 0.000 0.990 646 K HN 0.799 nan 8.250 nan 0.000 0.475 647 H N 4.518 123.612 119.070 0.040 0.000 3.034 647 H HA 0.061 4.616 4.556 -0.001 0.000 0.324 647 H C -1.049 174.284 175.328 0.008 0.000 1.015 647 H CA 1.047 57.111 56.048 0.027 0.000 1.429 647 H CB 0.510 30.278 29.762 0.009 0.000 1.429 647 H HN 0.560 nan 8.280 nan 0.000 0.585 648 K N 4.171 124.204 120.400 -0.611 0.000 2.501 648 K HA 0.101 4.421 4.320 -0.001 0.000 0.252 648 K C 0.181 176.553 176.600 -0.380 0.000 0.934 648 K CA -0.843 55.245 56.287 -0.331 0.000 0.797 648 K CB 1.825 34.205 32.500 -0.200 0.000 1.270 648 K HN 0.541 nan 8.250 nan 0.000 0.431 649 D N 0.710 121.069 120.400 -0.069 0.000 2.218 649 D HA -0.134 4.506 4.640 -0.001 0.000 0.204 649 D C 1.560 178.013 176.300 0.255 0.000 0.976 649 D CA 1.715 55.784 54.000 0.115 0.000 0.853 649 D CB 0.111 40.989 40.800 0.130 0.000 0.939 649 D HN 0.717 nan 8.370 nan 0.000 0.481 650 T N -1.468 113.190 114.554 0.174 0.000 3.072 650 T HA -0.047 4.303 4.350 -0.001 0.000 0.266 650 T C 0.926 175.671 174.700 0.074 0.000 1.127 650 T CA 0.430 62.686 62.100 0.259 0.000 1.107 650 T CB -0.077 68.886 68.868 0.158 0.000 0.910 650 T HN 0.095 nan 8.240 nan 0.000 0.513 651 E N 0.777 120.888 120.200 -0.147 0.000 2.989 651 E HA 0.310 4.660 4.350 -0.001 0.000 0.224 651 E C 0.632 177.182 176.600 -0.082 0.000 1.175 651 E CA -0.344 55.784 56.400 -0.454 0.000 1.300 651 E CB 0.805 29.790 29.700 -1.192 0.000 1.422 651 E HN 0.181 nan 8.360 nan 0.000 0.439 652 L N 1.645 122.940 121.223 0.121 0.000 2.056 652 L HA -0.073 4.267 4.340 -0.001 0.000 0.207 652 L C 0.640 177.686 176.870 0.294 0.000 1.078 652 L CA 1.708 56.666 54.840 0.195 0.000 0.749 652 L CB 0.044 42.184 42.059 0.135 0.000 0.901 652 L HN 0.209 nan 8.230 nan 0.000 0.433 653 R N -2.260 118.434 120.500 0.323 0.000 2.626 653 R HA 0.397 4.737 4.340 -0.001 0.000 0.274 653 R C 0.330 176.804 176.300 0.289 0.000 1.031 653 R CA 0.214 56.491 56.100 0.295 0.000 0.898 653 R CB 0.890 31.221 30.300 0.052 0.000 1.222 653 R HN 0.012 nan 8.270 nan 0.000 0.455 654 S N 0.230 116.002 115.700 0.121 0.000 2.528 654 S HA 0.055 4.525 4.470 -0.001 0.000 0.219 654 S C 0.664 175.174 174.600 -0.150 0.000 0.985 654 S CA 0.237 58.342 58.200 -0.159 0.000 0.914 654 S CB 0.176 63.066 63.200 -0.517 0.000 0.776 654 S HN 0.577 nan 8.310 nan 0.000 0.526 655 S N 0.250 115.884 115.700 -0.111 0.000 2.685 655 S HA 0.737 5.207 4.470 -0.001 0.000 0.282 655 S C -0.895 173.676 174.600 -0.050 0.000 1.159 655 S CA -0.131 58.042 58.200 -0.046 0.000 0.833 655 S CB 1.659 64.844 63.200 -0.024 0.000 1.151 655 S HN 0.644 nan 8.310 nan 0.000 0.485 656 T N -1.197 113.336 114.554 -0.036 0.000 2.883 656 T HA 0.726 5.076 4.350 -0.001 0.000 0.296 656 T C 0.824 175.488 174.700 -0.060 0.000 1.117 656 T CA -0.104 61.960 62.100 -0.060 0.000 1.006 656 T CB 1.082 69.944 68.868 -0.010 0.000 1.191 656 T HN 0.854 nan 8.240 nan 0.000 0.508 657 A N 0.495 123.249 122.820 -0.110 0.000 2.172 657 A HA 0.230 4.550 4.320 -0.001 0.000 0.216 657 A C 1.853 179.454 177.584 0.029 0.000 1.154 657 A CA 0.789 52.768 52.037 -0.098 0.000 0.701 657 A CB -0.887 17.916 19.000 -0.328 0.000 0.789 657 A HN 0.785 nan 8.150 nan 0.000 0.465 658 L N -1.032 120.208 121.223 0.028 0.000 2.607 658 L HA 0.109 4.449 4.340 -0.001 0.000 0.228 658 L C 1.576 178.451 176.870 0.008 0.000 1.123 658 L CA -0.102 54.759 54.840 0.036 0.000 0.890 658 L CB -0.250 41.836 42.059 0.045 0.000 1.103 658 L HN 0.223 nan 8.230 nan 0.000 0.468 659 N N -0.251 118.446 118.700 -0.004 0.000 2.207 659 N HA -0.136 4.603 4.740 -0.001 0.000 0.182 659 N C 1.929 177.400 175.510 -0.066 0.000 1.020 659 N CA 1.362 54.393 53.050 -0.032 0.000 0.858 659 N CB -0.049 38.419 38.487 -0.032 0.000 0.991 659 N HN 0.016 nan 8.380 nan 0.000 0.427 660 T N 0.453 114.972 114.554 -0.059 0.000 2.759 660 T HA -0.074 4.275 4.350 -0.001 0.000 0.269 660 T C 1.194 175.821 174.700 -0.122 0.000 1.042 660 T CA 1.279 63.320 62.100 -0.098 0.000 1.140 660 T CB -0.156 68.683 68.868 -0.049 0.000 0.864 660 T HN 0.217 nan 8.240 nan 0.000 0.455 661 N N 0.801 119.442 118.700 -0.098 0.000 2.353 661 N HA 0.204 4.943 4.740 -0.001 0.000 0.185 661 N C 0.362 175.826 175.510 -0.077 0.000 1.098 661 N CA 0.242 53.232 53.050 -0.099 0.000 0.872 661 N CB 0.198 38.617 38.487 -0.112 0.000 0.970 661 N HN 0.369 nan 8.380 nan 0.000 0.467 662 A N 1.322 124.098 122.820 -0.074 0.000 3.015 662 A HA 0.296 4.616 4.320 -0.001 0.000 0.293 662 A C 1.346 178.883 177.584 -0.079 0.000 1.572 662 A CA -0.349 51.665 52.037 -0.039 0.000 1.274 662 A CB -0.633 18.354 19.000 -0.022 0.000 1.156 662 A HN 0.141 nan 8.150 nan 0.000 0.562 663 L N -0.276 120.883 121.223 -0.107 0.000 2.083 663 L HA -0.175 4.164 4.340 -0.001 0.000 0.209 663 L C 1.630 178.190 176.870 -0.518 0.000 1.083 663 L CA 1.655 56.281 54.840 -0.357 0.000 0.752 663 L CB -0.366 41.415 42.059 -0.463 0.000 0.899 663 L HN 0.798 nan 8.230 nan 0.000 0.433 664 Y N -2.420 117.866 120.300 -0.023 0.000 2.535 664 Y HA 0.106 4.655 4.550 -0.001 0.000 0.264 664 Y C 0.761 176.652 175.900 -0.016 0.000 1.087 664 Y CA -0.260 57.827 58.100 -0.021 0.000 1.285 664 Y CB 0.555 39.008 38.460 -0.011 0.000 1.200 664 Y HN -0.024 nan 8.280 nan 0.000 0.514 665 D N 1.026 121.495 120.400 0.115 0.000 2.749 665 D HA 0.201 4.841 4.640 -0.001 0.000 0.338 665 D C -2.905 173.412 176.300 0.028 0.000 1.236 665 D CA -2.386 51.654 54.000 0.066 0.000 0.845 665 D CB 0.585 41.432 40.800 0.078 0.000 1.080 665 D HN -0.035 nan 8.370 nan 0.000 0.497 666 P HA 0.192 nan 4.420 nan 0.000 0.274 666 P C -2.012 175.292 177.300 0.007 0.000 1.231 666 P CA -1.136 61.956 63.100 -0.014 0.000 0.790 666 P CB 1.267 32.937 31.700 -0.049 0.000 0.951 667 P HA -0.142 nan 4.420 nan 0.000 0.216 667 P C 0.219 177.550 177.300 0.052 0.000 1.157 667 P CA 1.456 64.582 63.100 0.045 0.000 0.880 667 P CB 0.061 31.802 31.700 0.070 0.000 0.791 668 V N 0.317 120.254 119.914 0.037 0.000 2.378 668 V HA 0.296 4.415 4.120 -0.001 0.000 0.288 668 V C -0.101 175.965 176.094 -0.047 0.000 1.016 668 V CA -0.838 61.477 62.300 0.024 0.000 0.840 668 V CB 1.337 33.191 31.823 0.052 0.000 0.994 668 V HN 0.001 nan 8.190 nan 0.000 0.431 669 N N 3.675 122.326 118.700 -0.081 0.000 2.501 669 N HA 0.187 4.927 4.740 -0.001 0.000 0.245 669 N C 0.555 175.886 175.510 -0.298 0.000 0.974 669 N CA -0.511 52.462 53.050 -0.129 0.000 0.941 669 N CB 0.968 39.408 38.487 -0.079 0.000 1.122 669 N HN 0.582 nan 8.380 nan 0.000 0.507 670 F N 4.606 124.221 119.950 -0.558 0.000 2.192 670 F HA -0.156 4.370 4.527 -0.000 0.000 0.301 670 F C 1.434 176.722 175.800 -0.854 0.000 1.079 670 F CA 1.409 58.797 58.000 -1.019 0.000 1.303 670 F CB 0.085 38.621 39.000 -0.774 0.000 1.024 670 F HN 0.482 nan 8.300 nan 0.000 0.494 671 N N 0.768 119.187 118.700 -0.468 0.000 2.348 671 N HA -0.142 4.598 4.740 -0.001 0.000 0.185 671 N C 1.939 177.314 175.510 -0.224 0.000 1.019 671 N CA 1.098 53.937 53.050 -0.352 0.000 0.880 671 N CB -0.660 37.795 38.487 -0.052 0.000 0.965 671 N HN 0.440 nan 8.380 nan 0.000 0.437 672 A N 0.138 122.828 122.820 -0.217 0.000 2.070 672 A HA -0.077 4.243 4.320 -0.001 0.000 0.220 672 A C 1.453 179.067 177.584 0.051 0.000 1.159 672 A CA 0.722 52.735 52.037 -0.040 0.000 0.656 672 A CB -0.596 18.415 19.000 0.018 0.000 0.800 672 A HN 0.129 nan 8.150 nan 0.000 0.453 673 F N -0.363 119.347 119.950 -0.400 0.000 2.407 673 F HA 0.132 4.659 4.527 -0.000 0.000 0.299 673 F C 0.816 176.444 175.800 -0.287 0.000 1.097 673 F CA -0.082 57.673 58.000 -0.409 0.000 1.422 673 F CB -0.742 37.804 39.000 -0.756 0.000 1.067 673 F HN 0.029 nan 8.300 nan 0.000 0.539 674 L N 2.091 123.263 121.223 -0.085 0.000 2.314 674 L HA 0.233 4.573 4.340 -0.001 0.000 0.275 674 L C -0.413 176.532 176.870 0.125 0.000 1.068 674 L CA -0.297 54.545 54.840 0.004 0.000 0.894 674 L CB 0.159 42.177 42.059 -0.069 0.000 1.275 674 L HN -0.002 nan 8.230 nan 0.000 0.432 675 D N -0.612 119.842 120.400 0.090 0.000 2.760 675 D HA 0.056 4.696 4.640 -0.001 0.000 0.314 675 D C 0.052 176.393 176.300 0.067 0.000 1.464 675 D CA -0.502 53.543 54.000 0.075 0.000 0.797 675 D CB 0.188 41.017 40.800 0.049 0.000 1.149 675 D HN 0.280 nan 8.370 nan 0.000 0.455 676 D N 0.304 120.757 120.400 0.088 0.000 2.981 676 D HA -0.165 4.475 4.640 -0.001 0.000 0.223 676 D C -0.553 175.786 176.300 0.066 0.000 1.151 676 D CA 0.765 54.813 54.000 0.079 0.000 0.827 676 D CB -0.886 39.951 40.800 0.062 0.000 1.101 676 D HN 0.577 nan 8.370 nan 0.000 0.426 677 E N 0.606 120.845 120.200 0.065 0.000 2.398 677 E HA 0.209 4.559 4.350 -0.001 0.000 0.263 677 E C 0.397 177.036 176.600 0.065 0.000 1.046 677 E CA -0.041 56.393 56.400 0.057 0.000 0.908 677 E CB 0.797 30.527 29.700 0.050 0.000 0.963 677 E HN 0.006 nan 8.360 nan 0.000 0.431 678 S N 2.200 117.934 115.700 0.057 0.000 2.546 678 S HA 0.001 4.471 4.470 -0.001 0.000 0.290 678 S C 0.595 175.237 174.600 0.070 0.000 1.290 678 S CA -0.213 58.024 58.200 0.062 0.000 1.069 678 S CB 0.171 63.401 63.200 0.050 0.000 0.846 678 S HN 0.447 nan 8.310 nan 0.000 0.495 679 L N 3.209 124.482 121.223 0.083 0.000 2.769 679 L HA 0.320 4.660 4.340 -0.001 0.000 0.240 679 L C 0.414 177.335 176.870 0.084 0.000 1.163 679 L CA -0.139 54.755 54.840 0.090 0.000 0.962 679 L CB 0.144 42.269 42.059 0.110 0.000 1.258 679 L HN 0.515 nan 8.230 nan 0.000 0.513 680 D N 2.129 122.571 120.400 0.071 0.000 2.517 680 D HA 0.303 4.943 4.640 -0.001 0.000 0.220 680 D C 0.803 177.134 176.300 0.053 0.000 1.158 680 D CA 0.274 54.311 54.000 0.061 0.000 0.992 680 D CB 0.327 41.157 40.800 0.050 0.000 1.058 680 D HN 0.301 nan 8.370 nan 0.000 0.516 681 G N 2.746 111.580 108.800 0.056 0.000 2.638 681 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.269 681 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.269 681 G C -0.109 174.820 174.900 0.049 0.000 1.141 681 G CA 0.102 45.232 45.100 0.050 0.000 1.081 681 G HN 0.549 nan 8.290 nan 0.000 0.527 682 E N -0.184 120.049 120.200 0.055 0.000 2.433 682 E HA 0.546 4.896 4.350 -0.001 0.000 0.278 682 E C -1.151 175.483 176.600 0.058 0.000 0.976 682 E CA -0.911 55.523 56.400 0.056 0.000 0.793 682 E CB 1.312 31.050 29.700 0.064 0.000 1.311 682 E HN 0.032 nan 8.360 nan 0.000 0.460 683 D N 1.973 122.407 120.400 0.057 0.000 2.338 683 D HA 0.234 4.874 4.640 -0.001 0.000 0.255 683 D C -0.487 175.870 176.300 0.095 0.000 1.237 683 D CA 0.079 54.111 54.000 0.054 0.000 0.883 683 D CB -0.009 40.808 40.800 0.028 0.000 1.087 683 D HN 0.408 nan 8.370 nan 0.000 0.485 684 I N 3.080 123.697 120.570 0.079 0.000 2.437 684 I HA 0.279 4.448 4.170 -0.001 0.000 0.298 684 I C -0.062 176.092 176.117 0.061 0.000 0.984 684 I CA -1.049 60.302 61.300 0.084 0.000 1.214 684 I CB 2.009 40.052 38.000 0.071 0.000 1.365 684 I HN 0.041 nan 8.210 nan 0.000 0.469 685 V N 4.606 124.552 119.914 0.053 0.000 2.555 685 V HA 0.665 4.784 4.120 -0.001 0.000 0.302 685 V C 0.051 176.062 176.094 -0.137 0.000 1.038 685 V CA -0.643 61.597 62.300 -0.100 0.000 0.887 685 V CB 1.696 33.393 31.823 -0.209 0.000 0.991 685 V HN 0.831 nan 8.190 nan 0.000 0.434 686 A N 3.936 126.626 122.820 -0.217 0.000 2.304 686 A HA 0.778 5.098 4.320 -0.001 0.000 0.323 686 A C -1.461 175.996 177.584 -0.211 0.000 1.195 686 A CA -0.445 51.527 52.037 -0.108 0.000 0.826 686 A CB 0.547 19.498 19.000 -0.081 0.000 1.184 686 A HN 0.829 nan 8.150 nan 0.000 0.496 687 W N 2.497 123.869 121.300 0.120 0.000 2.318 687 W HA 0.535 5.195 4.660 -0.001 0.000 0.315 687 W C -0.693 175.858 176.519 0.054 0.000 1.033 687 W CA -0.521 56.896 57.345 0.121 0.000 1.275 687 W CB 1.634 31.241 29.460 0.245 0.000 1.250 687 W HN 0.394 nan 8.180 nan 0.000 0.421 688 V N 4.806 124.797 119.914 0.127 0.000 2.459 688 V HA 0.388 4.508 4.120 -0.001 0.000 0.295 688 V C -0.201 175.964 176.094 0.118 0.000 1.029 688 V CA -1.019 61.256 62.300 -0.041 0.000 0.874 688 V CB 1.233 32.748 31.823 -0.513 0.000 0.985 688 V HN 0.403 nan 8.190 nan 0.000 0.438 689 N N 4.282 123.080 118.700 0.164 0.000 2.456 689 N HA 0.705 5.444 4.740 -0.001 0.000 0.296 689 N C -0.964 174.719 175.510 0.289 0.000 1.102 689 N CA -0.421 52.796 53.050 0.278 0.000 0.924 689 N CB 2.333 41.013 38.487 0.321 0.000 1.186 689 N HN 0.504 nan 8.380 nan 0.000 0.492 690 L N 0.252 121.673 121.223 0.331 0.000 2.354 690 L HA 0.839 5.178 4.340 -0.001 0.000 0.269 690 L C 0.636 177.625 176.870 0.198 0.000 1.005 690 L CA -0.777 54.218 54.840 0.259 0.000 0.819 690 L CB 2.235 44.472 42.059 0.297 0.000 1.311 690 L HN 0.599 nan 8.230 nan 0.000 0.423 691 G N 1.403 110.261 108.800 0.096 0.000 2.600 691 G HA2 0.641 4.601 3.960 -0.001 0.000 0.293 691 G HA3 0.641 4.601 3.960 -0.001 0.000 0.293 691 G C -2.451 172.415 174.900 -0.057 0.000 1.408 691 G CA -0.456 44.672 45.100 0.046 0.000 0.782 691 G HN 0.351 nan 8.290 nan 0.000 0.482 692 L N 0.150 121.331 121.223 -0.069 0.000 2.543 692 L HA 0.566 4.905 4.340 -0.001 0.000 0.265 692 L C -1.425 175.388 176.870 -0.095 0.000 0.945 692 L CA -0.870 53.910 54.840 -0.099 0.000 0.869 692 L CB 1.857 43.912 42.059 -0.007 0.000 1.294 692 L HN 0.623 nan 8.230 nan 0.000 0.405 693 H N 4.331 123.433 119.070 0.054 0.000 2.846 693 H HA 0.280 4.836 4.556 -0.001 0.000 0.278 693 H C -0.829 174.588 175.328 0.147 0.000 1.117 693 H CA 0.013 56.104 56.048 0.071 0.000 1.406 693 H CB 0.274 30.121 29.762 0.140 0.000 1.445 693 H HN 0.645 nan 8.280 nan 0.000 0.469 694 H N 3.704 122.761 119.070 -0.022 0.000 2.541 694 H HA 0.225 4.781 4.556 -0.001 0.000 0.316 694 H C -0.767 174.566 175.328 0.008 0.000 1.043 694 H CA -1.030 54.958 56.048 -0.101 0.000 1.232 694 H CB 0.879 30.428 29.762 -0.354 0.000 1.406 694 H HN 0.291 nan 8.280 nan 0.000 0.469 695 L N 9.034 130.397 121.223 0.233 0.000 2.387 695 L HA 0.400 4.739 4.340 -0.001 0.000 0.259 695 L C -2.616 174.293 176.870 0.065 0.000 1.050 695 L CA -1.926 52.978 54.840 0.107 0.000 0.922 695 L CB 0.776 42.814 42.059 -0.036 0.000 1.280 695 L HN 0.549 nan 8.230 nan 0.000 0.449 696 P HA 0.199 nan 4.420 nan 0.000 0.266 696 P C -1.131 176.200 177.300 0.052 0.000 1.195 696 P CA 0.141 63.239 63.100 -0.003 0.000 0.768 696 P CB 0.586 32.263 31.700 -0.038 0.000 0.838 697 N N -1.286 117.455 118.700 0.069 0.000 3.283 697 N HA 0.276 5.016 4.740 -0.001 0.000 0.338 697 N C 0.951 176.489 175.510 0.046 0.000 1.517 697 N CA -0.537 52.536 53.050 0.038 0.000 0.733 697 N CB -0.109 38.393 38.487 0.026 0.000 1.797 697 N HN 0.128 nan 8.380 nan 0.000 0.637 698 S N -0.835 114.879 115.700 0.023 0.000 2.402 698 S HA -0.224 4.245 4.470 -0.001 0.000 0.233 698 S C 1.229 175.860 174.600 0.051 0.000 1.030 698 S CA 1.536 59.756 58.200 0.033 0.000 1.003 698 S CB -0.913 62.292 63.200 0.008 0.000 0.813 698 S HN 0.613 nan 8.310 nan 0.000 0.477 699 N N 1.744 120.472 118.700 0.047 0.000 2.575 699 N HA 0.075 4.814 4.740 -0.001 0.000 0.192 699 N C 0.210 175.757 175.510 0.061 0.000 1.200 699 N CA 0.594 53.671 53.050 0.046 0.000 0.897 699 N CB -0.132 38.378 38.487 0.038 0.000 0.990 699 N HN 0.510 nan 8.380 nan 0.000 0.449 700 D N -0.521 119.931 120.400 0.087 0.000 2.440 700 D HA 0.127 4.767 4.640 -0.001 0.000 0.216 700 D C -0.337 176.020 176.300 0.096 0.000 1.150 700 D CA 0.107 54.169 54.000 0.103 0.000 0.832 700 D CB 1.099 41.995 40.800 0.159 0.000 0.992 700 D HN 0.209 nan 8.370 nan 0.000 0.502 701 L N 1.937 123.220 121.223 0.100 0.000 2.362 701 L HA 0.282 4.622 4.340 -0.001 0.000 0.275 701 L C -1.416 175.515 176.870 0.102 0.000 0.998 701 L CA -1.543 53.383 54.840 0.144 0.000 0.820 701 L CB 2.617 44.812 42.059 0.226 0.000 1.270 701 L HN -0.270 nan 8.230 nan 0.000 0.415 702 P HA 0.013 nan 4.420 nan 0.000 0.231 702 P C -0.271 176.989 177.300 -0.067 0.000 1.168 702 P CA 0.684 63.826 63.100 0.070 0.000 0.779 702 P CB 0.536 32.250 31.700 0.023 0.000 0.844 703 N N -1.323 117.294 118.700 -0.138 0.000 2.284 703 N HA 0.208 4.948 4.740 -0.001 0.000 0.289 703 N C -0.782 174.656 175.510 -0.120 0.000 1.179 703 N CA -0.494 52.411 53.050 -0.242 0.000 0.774 703 N CB 1.936 40.190 38.487 -0.388 0.000 1.548 703 N HN -0.279 nan 8.380 nan 0.000 0.473 704 T N 1.704 116.204 114.554 -0.091 0.000 2.940 704 T HA 0.205 4.555 4.350 -0.001 0.000 0.309 704 T C 0.379 174.959 174.700 -0.200 0.000 1.056 704 T CA 0.085 62.154 62.100 -0.053 0.000 1.137 704 T CB -0.001 68.894 68.868 0.045 0.000 0.976 704 T HN 0.334 nan 8.240 nan 0.000 0.547 705 I N -0.661 119.820 120.570 -0.148 0.000 2.460 705 I HA 0.454 4.624 4.170 -0.001 0.000 0.298 705 I C 0.565 176.607 176.117 -0.124 0.000 0.989 705 I CA -0.910 60.282 61.300 -0.180 0.000 1.173 705 I CB 1.131 39.084 38.000 -0.079 0.000 1.338 705 I HN 0.570 nan 8.210 nan 0.000 0.456 706 F N 2.170 122.069 119.950 -0.086 0.000 2.293 706 F HA -0.182 4.345 4.527 -0.001 0.000 0.300 706 F C 2.755 178.494 175.800 -0.102 0.000 1.086 706 F CA 1.202 59.139 58.000 -0.104 0.000 1.375 706 F CB 0.118 39.055 39.000 -0.104 0.000 1.045 706 F HN 0.786 nan 8.300 nan 0.000 0.516 707 S N -0.705 115.052 115.700 0.095 0.000 2.382 707 S HA -0.194 4.275 4.470 -0.001 0.000 0.228 707 S C 1.697 176.295 174.600 -0.003 0.000 1.027 707 S CA 1.620 59.825 58.200 0.008 0.000 0.991 707 S CB -1.119 62.082 63.200 0.002 0.000 0.823 707 S HN 0.419 nan 8.310 nan 0.000 0.469 708 T N -1.604 112.957 114.554 0.011 0.000 3.054 708 T HA 0.643 4.993 4.350 -0.001 0.000 0.255 708 T C 0.435 175.134 174.700 -0.002 0.000 1.035 708 T CA 0.098 62.204 62.100 0.010 0.000 0.941 708 T CB 0.361 69.231 68.868 0.003 0.000 1.026 708 T HN 0.510 nan 8.240 nan 0.000 0.533 709 A N 1.821 124.639 122.820 -0.004 0.000 2.937 709 A HA 0.537 4.857 4.320 -0.001 0.000 0.338 709 A C -0.453 177.157 177.584 0.043 0.000 1.273 709 A CA -0.674 51.325 52.037 -0.064 0.000 0.937 709 A CB -0.263 18.640 19.000 -0.163 0.000 1.133 709 A HN 0.675 nan 8.150 nan 0.000 0.491 710 H N 0.814 119.838 119.070 -0.076 0.000 2.806 710 H HA 0.744 5.300 4.556 -0.001 0.000 0.367 710 H C -1.226 174.064 175.328 -0.064 0.000 1.136 710 H CA -0.300 55.707 56.048 -0.070 0.000 1.178 710 H CB 2.017 31.742 29.762 -0.063 0.000 1.718 710 H HN 0.628 nan 8.280 nan 0.000 0.540 711 A N 2.792 125.295 122.820 -0.529 0.000 2.520 711 A HA 0.587 4.907 4.320 -0.001 0.000 0.298 711 A C -1.191 176.083 177.584 -0.515 0.000 1.051 711 A CA -0.109 51.664 52.037 -0.439 0.000 0.690 711 A CB 1.742 20.659 19.000 -0.138 0.000 1.281 711 A HN 0.794 nan 8.150 nan 0.000 0.402 712 S N 0.110 115.578 115.700 -0.387 0.000 2.588 712 S HA 0.907 5.377 4.470 -0.001 0.000 0.269 712 S C -0.833 173.685 174.600 -0.135 0.000 1.157 712 S CA -0.574 57.431 58.200 -0.325 0.000 0.824 712 S CB 1.174 64.168 63.200 -0.343 0.000 1.126 712 S HN 1.924 nan 8.310 nan 0.000 0.464 713 F N -0.981 118.813 119.950 -0.261 0.000 2.626 713 F HA 0.868 5.395 4.527 -0.001 0.000 0.311 713 F C -0.994 174.675 175.800 -0.217 0.000 1.088 713 F CA -1.293 56.571 58.000 -0.227 0.000 0.949 713 F CB 1.502 40.404 39.000 -0.162 0.000 1.322 713 F HN 0.636 nan 8.300 nan 0.000 0.461 714 M N 2.651 122.252 119.600 0.002 0.000 2.535 714 M HA 0.567 5.047 4.480 -0.001 0.000 0.314 714 M C -1.506 174.852 176.300 0.096 0.000 1.153 714 M CA -0.777 54.480 55.300 -0.072 0.000 0.924 714 M CB 2.596 35.123 32.600 -0.121 0.000 1.710 714 M HN 0.621 nan 8.290 nan 0.000 0.451 715 L N 1.534 122.804 121.223 0.078 0.000 2.316 715 L HA 0.516 4.855 4.340 -0.001 0.000 0.280 715 L C -0.334 176.685 176.870 0.248 0.000 1.006 715 L CA -0.385 54.587 54.840 0.220 0.000 0.836 715 L CB 1.586 43.765 42.059 0.201 0.000 1.221 715 L HN 0.607 nan 8.230 nan 0.000 0.418 716 T N 3.890 118.516 114.554 0.119 0.000 2.861 716 T HA 0.535 4.885 4.350 -0.001 0.000 0.287 716 T C -2.697 171.653 174.700 -0.583 0.000 1.003 716 T CA -1.908 60.112 62.100 -0.133 0.000 0.977 716 T CB 1.969 70.783 68.868 -0.090 0.000 0.996 716 T HN 0.137 nan 8.240 nan 0.000 0.448 717 P HA 0.262 nan 4.420 nan 0.000 0.268 717 P C -1.344 175.808 177.300 -0.246 0.000 1.204 717 P CA 0.055 62.599 63.100 -0.927 0.000 0.768 717 P CB 0.029 31.448 31.700 -0.467 0.000 0.842 718 F N 3.908 123.699 119.950 -0.265 0.000 2.771 718 F HA 0.290 4.816 4.527 -0.001 0.000 0.365 718 F C 0.113 175.920 175.800 0.011 0.000 1.169 718 F CA -0.454 57.496 58.000 -0.083 0.000 1.093 718 F CB 0.463 39.434 39.000 -0.050 0.000 1.363 718 F HN 0.245 nan 8.300 nan 0.000 0.496 719 N N 3.368 121.993 118.700 -0.126 0.000 2.708 719 N HA -0.340 4.399 4.740 -0.001 0.000 0.251 719 N C 0.553 176.111 175.510 0.080 0.000 1.123 719 N CA 1.443 54.496 53.050 0.005 0.000 0.739 719 N CB -1.765 36.756 38.487 0.057 0.000 1.113 719 N HN 0.788 nan 8.380 nan 0.000 0.561 720 Y N -0.343 119.896 120.300 -0.102 0.000 2.337 720 Y HA 0.162 4.712 4.550 -0.001 0.000 0.293 720 Y C 0.539 176.226 175.900 -0.355 0.000 1.123 720 Y CA 1.136 59.090 58.100 -0.243 0.000 1.201 720 Y CB 0.227 38.441 38.460 -0.410 0.000 1.011 720 Y HN 0.061 nan 8.280 nan 0.000 0.545 721 F N -0.802 119.194 119.950 0.076 0.000 2.661 721 F HA 0.282 4.809 4.527 -0.001 0.000 0.347 721 F C 1.170 176.982 175.800 0.019 0.000 1.086 721 F CA -1.252 56.751 58.000 0.004 0.000 1.016 721 F CB 0.285 39.334 39.000 0.082 0.000 1.368 721 F HN -0.371 nan 8.300 nan 0.000 0.505 722 D N -0.468 120.076 120.400 0.239 0.000 2.317 722 D HA 0.062 4.702 4.640 -0.001 0.000 0.211 722 D C 0.224 176.664 176.300 0.234 0.000 0.966 722 D CA 0.891 55.014 54.000 0.205 0.000 0.876 722 D CB 0.158 41.018 40.800 0.101 0.000 0.927 722 D HN 0.387 nan 8.370 nan 0.000 0.519 723 S N -1.235 114.579 115.700 0.190 0.000 2.656 723 S HA 0.238 4.708 4.470 -0.001 0.000 0.273 723 S C -0.727 173.947 174.600 0.123 0.000 1.168 723 S CA -1.018 57.252 58.200 0.116 0.000 0.817 723 S CB 2.520 65.756 63.200 0.059 0.000 1.146 723 S HN -0.125 nan 8.310 nan 0.000 0.475 724 E N 0.790 121.033 120.200 0.072 0.000 2.299 724 E HA 0.114 4.464 4.350 -0.001 0.000 0.272 724 E C -0.360 176.262 176.600 0.036 0.000 1.043 724 E CA 0.029 56.478 56.400 0.081 0.000 0.895 724 E CB 0.245 29.975 29.700 0.050 0.000 1.011 724 E HN 0.660 nan 8.360 nan 0.000 0.432 725 N N 2.445 121.176 118.700 0.052 0.000 2.276 725 N HA -0.033 4.707 4.740 -0.001 0.000 0.212 725 N C 0.793 176.320 175.510 0.028 0.000 1.127 725 N CA 0.122 53.129 53.050 -0.072 0.000 0.834 725 N CB 0.379 38.656 38.487 -0.350 0.000 1.014 725 N HN 0.374 nan 8.380 nan 0.000 0.491 726 S N -0.225 115.517 115.700 0.069 0.000 2.558 726 S HA 0.135 4.604 4.470 -0.001 0.000 0.217 726 S C 1.631 176.238 174.600 0.011 0.000 0.975 726 S CA -0.223 58.024 58.200 0.080 0.000 0.912 726 S CB 0.180 63.456 63.200 0.126 0.000 0.776 726 S HN 0.129 nan 8.310 nan 0.000 0.526 727 R N 2.554 123.037 120.500 -0.028 0.000 2.241 727 R HA -0.039 4.301 4.340 -0.001 0.000 0.224 727 R C 1.234 177.468 176.300 -0.111 0.000 1.101 727 R CA 1.347 57.408 56.100 -0.065 0.000 0.995 727 R CB -0.800 29.455 30.300 -0.075 0.000 0.870 727 R HN 0.804 nan 8.270 nan 0.000 0.463 728 D N -0.669 119.669 120.400 -0.104 0.000 2.340 728 D HA -0.050 4.589 4.640 -0.001 0.000 0.220 728 D C 0.430 176.661 176.300 -0.116 0.000 1.039 728 D CA 0.039 53.965 54.000 -0.123 0.000 0.866 728 D CB -0.277 40.450 40.800 -0.121 0.000 0.913 728 D HN -0.175 nan 8.370 nan 0.000 0.523 729 T N 0.686 115.188 114.554 -0.085 0.000 2.926 729 T HA 0.103 4.452 4.350 -0.001 0.000 0.307 729 T C 1.569 176.216 174.700 -0.087 0.000 1.059 729 T CA 0.604 62.669 62.100 -0.058 0.000 1.122 729 T CB 1.153 70.021 68.868 0.001 0.000 0.972 729 T HN 0.242 nan 8.240 nan 0.000 0.545 730 T N 1.829 116.367 114.554 -0.026 0.000 3.113 730 T HA 0.074 4.423 4.350 -0.001 0.000 0.256 730 T C 0.813 175.604 174.700 0.152 0.000 1.131 730 T CA 0.237 62.359 62.100 0.037 0.000 1.074 730 T CB 0.134 69.067 68.868 0.107 0.000 0.944 730 T HN 0.541 nan 8.240 nan 0.000 0.516 731 Q N 2.913 122.796 119.800 0.138 0.000 3.181 731 Q HA 0.291 4.630 4.340 -0.001 0.000 0.293 731 Q C -0.008 176.148 176.000 0.261 0.000 1.406 731 Q CA 0.057 55.993 55.803 0.221 0.000 1.026 731 Q CB -0.262 28.587 28.738 0.184 0.000 1.630 731 Q HN 0.885 nan 8.270 nan 0.000 0.553 732 Q N -2.238 117.764 119.800 0.336 0.000 2.534 732 Q HA 0.737 5.076 4.340 -0.001 0.000 0.290 732 Q C -1.425 174.895 176.000 0.534 0.000 0.991 732 Q CA -0.941 55.071 55.803 0.348 0.000 0.783 732 Q CB 1.728 30.579 28.738 0.188 0.000 1.470 732 Q HN 0.034 nan 8.270 nan 0.000 0.406 733 V N 1.402 121.592 119.914 0.459 0.000 2.735 733 V HA 0.748 4.868 4.120 -0.001 0.000 0.310 733 V C -1.954 174.390 176.094 0.417 0.000 1.061 733 V CA -0.722 61.817 62.300 0.399 0.000 0.913 733 V CB 1.927 33.943 31.823 0.321 0.000 1.005 733 V HN 0.798 nan 8.190 nan 0.000 0.428 734 F N 7.429 127.436 119.950 0.095 0.000 2.500 734 F HA 0.543 5.070 4.527 -0.000 0.000 0.349 734 F C -1.386 174.345 175.800 -0.114 0.000 1.127 734 F CA -0.808 57.218 58.000 0.044 0.000 0.998 734 F CB 1.072 40.114 39.000 0.070 0.000 1.237 734 F HN 0.677 nan 8.300 nan 0.000 0.439 735 Y N 5.979 125.923 120.300 -0.593 0.000 2.328 735 Y HA 0.581 5.131 4.550 -0.001 0.000 0.337 735 Y C -0.542 174.859 175.900 -0.831 0.000 1.008 735 Y CA -0.502 57.082 58.100 -0.859 0.000 1.129 735 Y CB 1.290 39.146 38.460 -1.008 0.000 1.185 735 Y HN 0.605 nan 8.280 nan 0.000 0.476 736 T N 3.432 117.182 114.554 -1.340 0.000 2.893 736 T HA 0.420 4.770 4.350 -0.001 0.000 0.291 736 T C -1.697 172.421 174.700 -0.970 0.000 1.028 736 T CA -0.751 60.793 62.100 -0.926 0.000 0.995 736 T CB 1.599 70.075 68.868 -0.653 0.000 1.051 736 T HN 0.648 nan 8.240 nan 0.000 0.470 737 Y N 1.278 121.223 120.300 -0.592 0.000 2.350 737 Y HA 0.469 5.019 4.550 -0.001 0.000 0.338 737 Y C -0.762 175.016 175.900 -0.203 0.000 0.961 737 Y CA -0.970 56.913 58.100 -0.362 0.000 1.100 737 Y CB 1.607 39.983 38.460 -0.140 0.000 1.179 737 Y HN 0.765 nan 8.280 nan 0.000 0.454 738 D N 4.716 124.706 120.400 -0.684 0.000 2.277 738 D HA 0.038 4.678 4.640 -0.001 0.000 0.249 738 D C 0.344 176.284 176.300 -0.601 0.000 1.134 738 D CA 0.284 53.994 54.000 -0.483 0.000 0.863 738 D CB 1.358 41.942 40.800 -0.360 0.000 1.143 738 D HN 0.805 nan 8.370 nan 0.000 0.458 739 D N 2.396 122.675 120.400 -0.203 0.000 2.144 739 D HA -0.140 4.500 4.640 -0.001 0.000 0.199 739 D C 1.337 177.601 176.300 -0.060 0.000 0.984 739 D CA 0.928 54.917 54.000 -0.017 0.000 0.834 739 D CB 0.505 41.333 40.800 0.046 0.000 0.955 739 D HN 0.592 nan 8.370 nan 0.000 0.465 740 E N -0.541 119.599 120.200 -0.100 0.000 2.042 740 E HA -0.084 4.266 4.350 -0.001 0.000 0.189 740 E C 1.898 178.440 176.600 -0.096 0.000 0.974 740 E CA 1.236 57.593 56.400 -0.071 0.000 0.806 740 E CB 0.159 29.824 29.700 -0.057 0.000 0.769 740 E HN 0.276 nan 8.360 nan 0.000 0.451 741 T N -1.508 112.957 114.554 -0.149 0.000 3.085 741 T HA -0.019 4.331 4.350 -0.001 0.000 0.263 741 T C 0.448 175.048 174.700 -0.166 0.000 1.127 741 T CA 0.721 62.739 62.100 -0.138 0.000 1.103 741 T CB -0.112 68.674 68.868 -0.137 0.000 0.921 741 T HN 0.254 nan 8.240 nan 0.000 0.510 742 E N 0.569 120.602 120.200 -0.278 0.000 2.791 742 E HA -0.165 4.185 4.350 -0.001 0.000 0.271 742 E C -0.622 175.815 176.600 -0.271 0.000 1.044 742 E CA 0.653 56.887 56.400 -0.276 0.000 0.814 742 E CB -1.846 27.857 29.700 0.004 0.000 1.400 742 E HN 0.763 nan 8.360 nan 0.000 0.423 743 E N 0.571 120.544 120.200 -0.377 0.000 2.191 743 E HA 0.432 4.782 4.350 -0.001 0.000 0.278 743 E C -0.503 175.912 176.600 -0.308 0.000 0.972 743 E CA -0.361 55.900 56.400 -0.231 0.000 0.804 743 E CB 1.623 31.222 29.700 -0.169 0.000 1.110 743 E HN -0.064 nan 8.360 nan 0.000 0.394 744 S N 2.211 117.829 115.700 -0.137 0.000 2.565 744 S HA 0.333 4.802 4.470 -0.001 0.000 0.290 744 S C -0.370 174.056 174.600 -0.290 0.000 1.150 744 S CA -0.801 57.242 58.200 -0.262 0.000 1.058 744 S CB 0.914 64.115 63.200 0.001 0.000 1.032 744 S HN 0.467 nan 8.310 nan 0.000 0.510 745 N N 0.933 119.290 118.700 -0.572 0.000 2.295 745 N HA 0.335 5.074 4.740 -0.001 0.000 0.293 745 N C -2.162 173.007 175.510 -0.568 0.000 1.040 745 N CA -0.449 52.377 53.050 -0.374 0.000 0.840 745 N CB 1.217 39.519 38.487 -0.309 0.000 1.468 745 N HN 0.534 nan 8.380 nan 0.000 0.478 746 W N 1.900 123.039 121.300 -0.269 0.000 2.417 746 W HA 0.306 4.966 4.660 -0.001 0.000 0.315 746 W C 0.035 176.253 176.519 -0.503 0.000 1.045 746 W CA -0.571 56.525 57.345 -0.416 0.000 1.221 746 W CB 1.261 30.491 29.460 -0.382 0.000 1.309 746 W HN 0.438 nan 8.180 nan 0.000 0.453 747 E N 2.584 122.567 120.200 -0.362 0.000 2.133 747 E HA 0.392 4.742 4.350 -0.001 0.000 0.274 747 E C -0.847 175.471 176.600 -0.470 0.000 0.930 747 E CA -0.398 55.776 56.400 -0.376 0.000 0.770 747 E CB 0.442 29.918 29.700 -0.373 0.000 1.104 747 E HN 0.418 nan 8.360 nan 0.000 0.403 748 F N 3.334 123.270 119.950 -0.024 0.000 2.661 748 F HA 0.211 4.737 4.527 -0.001 0.000 0.306 748 F C -0.216 175.730 175.800 0.243 0.000 1.094 748 F CA -0.502 57.616 58.000 0.196 0.000 1.254 748 F CB 0.119 39.300 39.000 0.302 0.000 1.040 748 F HN 0.539 nan 8.300 nan 0.000 0.562 749 Y N 0.528 121.013 120.300 0.308 0.000 3.305 749 Y HA -0.241 4.309 4.550 -0.000 0.000 0.212 749 Y C 1.471 177.483 175.900 0.188 0.000 1.248 749 Y CA 0.513 58.737 58.100 0.207 0.000 1.359 749 Y CB -1.768 36.796 38.460 0.174 0.000 1.407 749 Y HN 0.357 nan 8.280 nan 0.000 0.572 750 G N -1.055 107.908 108.800 0.270 0.000 2.175 750 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.244 750 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.244 750 G C -0.037 174.958 174.900 0.159 0.000 0.982 750 G CA -0.091 45.122 45.100 0.188 0.000 0.641 750 G HN 0.448 nan 8.290 nan 0.000 0.527 751 N N 1.502 120.335 118.700 0.222 0.000 2.419 751 N HA 0.365 5.104 4.740 -0.001 0.000 0.264 751 N C -1.421 174.114 175.510 0.043 0.000 1.031 751 N CA -0.183 52.931 53.050 0.107 0.000 0.951 751 N CB 1.557 40.144 38.487 0.166 0.000 1.101 751 N HN 0.231 nan 8.380 nan 0.000 0.488 752 D N 1.878 122.227 120.400 -0.085 0.000 2.359 752 D HA 0.121 4.761 4.640 -0.001 0.000 0.230 752 D C 0.008 176.187 176.300 -0.202 0.000 1.118 752 D CA -0.466 53.481 54.000 -0.088 0.000 0.844 752 D CB 0.422 41.191 40.800 -0.052 0.000 1.059 752 D HN 0.447 nan 8.370 nan 0.000 0.493 753 W N 2.244 123.339 121.300 -0.341 0.000 3.256 753 W HA 0.130 4.789 4.660 -0.001 0.000 0.269 753 W C 0.942 177.333 176.519 -0.213 0.000 1.310 753 W CA -0.294 56.864 57.345 -0.312 0.000 1.673 753 W CB -0.091 29.075 29.460 -0.490 0.000 1.115 753 W HN 0.218 nan 8.180 nan 0.000 0.686 754 S N 0.596 116.290 115.700 -0.010 0.000 2.558 754 S HA -0.030 4.440 4.470 -0.001 0.000 0.287 754 S C 0.672 175.262 174.600 -0.018 0.000 1.321 754 S CA -0.226 57.965 58.200 -0.015 0.000 1.048 754 S CB 0.723 63.911 63.200 -0.020 0.000 0.844 754 S HN 0.073 nan 8.310 nan 0.000 0.512 755 S N 0.951 116.645 115.700 -0.009 0.000 2.552 755 S HA 0.267 4.736 4.470 -0.001 0.000 0.289 755 S C 0.113 174.701 174.600 -0.021 0.000 1.304 755 S CA -0.383 57.810 58.200 -0.010 0.000 1.063 755 S CB -1.115 62.082 63.200 -0.005 0.000 0.848 755 S HN 0.923 nan 8.310 nan 0.000 0.499 756 c N 2.880 121.464 118.600 -0.027 0.000 3.288 756 c HA 0.920 5.490 4.570 -0.001 0.000 0.318 756 c C 0.221 174.295 174.090 -0.027 0.000 1.356 756 c CA -0.616 55.695 56.329 -0.029 0.000 1.359 756 c CB 0.698 43.183 42.510 -0.042 0.000 1.688 756 c HN 0.928 nan 8.230 nan 0.000 0.467 757 G N 0.627 109.413 108.800 -0.023 0.000 2.348 757 G HA2 0.679 4.639 3.960 -0.001 0.000 0.312 757 G HA3 0.679 4.639 3.960 -0.001 0.000 0.312 757 G C -0.495 174.391 174.900 -0.023 0.000 1.126 757 G CA 0.028 45.117 45.100 -0.019 0.000 0.865 757 G HN 2.004 nan 8.290 nan 0.000 0.474 758 V N -0.176 119.725 119.914 -0.022 0.000 3.040 758 V HA 0.769 4.889 4.120 -0.001 0.000 0.312 758 V C -0.682 175.402 176.094 -0.017 0.000 1.115 758 V CA -1.454 60.833 62.300 -0.022 0.000 0.998 758 V CB 2.084 33.891 31.823 -0.027 0.000 1.042 758 V HN 0.658 nan 8.190 nan 0.000 0.433 759 E N 1.530 121.721 120.200 -0.015 0.000 2.146 759 E HA 0.527 4.877 4.350 -0.001 0.000 0.282 759 E C -0.834 175.758 176.600 -0.014 0.000 0.989 759 E CA -0.454 55.939 56.400 -0.011 0.000 0.799 759 E CB 1.603 31.298 29.700 -0.009 0.000 1.088 759 E HN 0.714 nan 8.360 nan 0.000 0.397 760 V N 4.625 124.532 119.914 -0.012 0.000 2.370 760 V HA 0.343 4.463 4.120 -0.001 0.000 0.257 760 V C 0.443 176.529 176.094 -0.013 0.000 1.064 760 V CA -0.326 61.965 62.300 -0.015 0.000 0.975 760 V CB 0.241 32.056 31.823 -0.014 0.000 1.067 760 V HN 0.809 nan 8.190 nan 0.000 0.485 761 A N 4.217 127.025 122.820 -0.020 0.000 2.371 761 A HA 0.395 4.715 4.320 -0.001 0.000 0.257 761 A C 0.372 177.938 177.584 -0.031 0.000 1.089 761 A CA -0.393 51.632 52.037 -0.021 0.000 0.794 761 A CB 0.285 19.270 19.000 -0.025 0.000 1.029 761 A HN 0.852 nan 8.150 nan 0.000 0.488 762 E N 1.979 122.168 120.200 -0.018 0.000 2.344 762 E HA 0.273 4.622 4.350 -0.001 0.000 0.270 762 E C -2.086 174.425 176.600 -0.149 0.000 1.021 762 E CA -1.454 54.933 56.400 -0.022 0.000 0.887 762 E CB 0.253 29.985 29.700 0.053 0.000 0.997 762 E HN 0.420 nan 8.360 nan 0.000 0.429 763 P HA -0.060 nan 4.420 nan 0.000 0.269 763 P C -0.707 176.253 177.300 -0.566 0.000 1.211 763 P CA -0.074 62.680 63.100 -0.577 0.000 0.781 763 P CB 0.340 31.388 31.700 -1.086 0.000 0.877 764 N N 2.205 120.693 118.700 -0.354 0.000 3.167 764 N HA -0.025 4.714 4.740 -0.001 0.000 0.318 764 N C 0.466 175.893 175.510 -0.140 0.000 1.268 764 N CA 0.222 53.156 53.050 -0.193 0.000 1.197 764 N CB -1.043 37.374 38.487 -0.117 0.000 1.464 764 N HN 0.377 nan 8.380 nan 0.000 0.555 765 F N 1.169 121.133 119.950 0.022 0.000 2.171 765 F HA -0.172 4.355 4.527 -0.001 0.000 0.300 765 F C 2.485 178.327 175.800 0.070 0.000 1.090 765 F CA 0.901 58.927 58.000 0.044 0.000 1.293 765 F CB 0.043 39.073 39.000 0.050 0.000 1.013 765 F HN 0.283 nan 8.300 nan 0.000 0.486 766 E N 0.523 120.859 120.200 0.227 0.000 2.219 766 E HA -0.262 4.088 4.350 -0.001 0.000 0.198 766 E C 0.920 177.580 176.600 0.100 0.000 0.998 766 E CA 1.791 58.274 56.400 0.139 0.000 0.818 766 E CB -0.702 29.053 29.700 0.092 0.000 0.741 766 E HN 0.364 nan 8.360 nan 0.000 0.477 767 D N -0.230 120.215 120.400 0.074 0.000 2.317 767 D HA -0.064 4.576 4.640 -0.001 0.000 0.211 767 D C -0.135 176.210 176.300 0.075 0.000 0.966 767 D CA 0.411 54.432 54.000 0.035 0.000 0.876 767 D CB -0.367 40.410 40.800 -0.038 0.000 0.927 767 D HN 0.255 nan 8.370 nan 0.000 0.519 768 Y N 1.243 121.551 120.300 0.013 0.000 2.452 768 Y HA 0.286 4.836 4.550 -0.001 0.000 0.348 768 Y C -0.058 175.882 175.900 0.067 0.000 0.985 768 Y CA -0.318 57.806 58.100 0.041 0.000 1.214 768 Y CB 0.736 39.238 38.460 0.070 0.000 1.136 768 Y HN -0.326 nan 8.280 nan 0.000 0.523 769 T N 6.378 120.694 114.554 -0.397 0.000 2.841 769 T HA 0.479 4.829 4.350 -0.001 0.000 0.283 769 T C -2.072 172.311 174.700 -0.529 0.000 1.000 769 T CA -0.373 61.508 62.100 -0.366 0.000 0.977 769 T CB 0.636 69.417 68.868 -0.145 0.000 0.979 769 T HN 0.565 nan 8.240 nan 0.000 0.446 770 Y N 2.388 122.375 120.300 -0.522 0.000 2.513 770 Y HA 0.697 5.247 4.550 -0.001 0.000 0.340 770 Y C -0.411 175.358 175.900 -0.218 0.000 1.055 770 Y CA -0.086 57.782 58.100 -0.388 0.000 1.020 770 Y CB 1.825 40.055 38.460 -0.383 0.000 1.301 770 Y HN 1.115 nan 8.280 nan 0.000 0.453 771 G N 3.650 112.599 108.800 0.248 0.000 2.338 771 G HA2 0.276 4.235 3.960 -0.001 0.000 0.295 771 G HA3 0.276 4.235 3.960 -0.001 0.000 0.295 771 G C -1.606 173.666 174.900 0.620 0.000 1.461 771 G CA -1.211 43.978 45.100 0.149 0.000 0.817 771 G HN 0.626 nan 8.290 nan 0.000 0.556 772 R N 0.197 121.081 120.500 0.641 0.000 3.179 772 R HA 0.517 4.857 4.340 -0.001 0.000 0.317 772 R C 0.667 177.207 176.300 0.400 0.000 1.331 772 R CA 0.512 56.963 56.100 0.585 0.000 1.184 772 R CB 0.388 30.951 30.300 0.437 0.000 1.408 772 R HN 1.708 nan 8.270 nan 0.000 0.598 773 G N 0.170 109.184 108.800 0.356 0.000 2.674 773 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.686 773 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.686 773 G C -0.487 174.567 174.900 0.256 0.000 1.195 773 G CA -1.133 44.160 45.100 0.320 0.000 0.776 773 G HN 0.074 nan 8.290 nan 0.000 0.654 774 T N 3.076 117.724 114.554 0.157 0.000 2.761 774 T HA 0.475 4.825 4.350 -0.001 0.000 0.296 774 T C 1.017 175.729 174.700 0.020 0.000 0.934 774 T CA -0.001 62.147 62.100 0.081 0.000 1.091 774 T CB 0.251 69.164 68.868 0.075 0.000 0.896 774 T HN 0.594 nan 8.240 nan 0.000 0.515 775 R N 2.954 123.399 120.500 -0.091 0.000 2.536 775 R HA 0.643 4.983 4.340 -0.001 0.000 0.279 775 R C -0.532 175.716 176.300 -0.087 0.000 1.001 775 R CA -0.927 55.006 56.100 -0.278 0.000 1.027 775 R CB 1.109 31.148 30.300 -0.434 0.000 1.096 775 R HN 0.420 nan 8.270 nan 0.000 0.502 776 I N 1.987 122.534 120.570 -0.037 0.000 2.529 776 I HA 0.145 4.315 4.170 -0.001 0.000 0.284 776 I C -0.193 175.973 176.117 0.083 0.000 1.088 776 I CA -0.834 60.497 61.300 0.051 0.000 1.062 776 I CB 1.224 39.289 38.000 0.109 0.000 1.218 776 I HN 0.659 nan 8.210 nan 0.000 0.442 777 N N 0.000 118.735 118.700 0.058 0.000 1.763 777 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 777 N CA 0.000 53.106 53.050 0.094 0.000 0.885 777 N CB 0.000 38.525 38.487 0.063 0.000 1.341 777 N HN 0.000 nan 8.380 nan 0.000 0.667