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 1hn0_1_A DATA FIRST_RESID 25 DATA SEQUENCE ATSNPAFDPK NLMQSEIYHF AQNNPLADFS SDKNSILTLS DKRSIMGNQS DATA SEQUENCE LLWKWKGGSS FTLHKKLIVP TDKEASKAWG RSSTPVFSFW LYNEKPIDGY DATA SEQUENCE LTIDFGEKLI STSEAQAGFK VKLDFTGWRA VGVSLNNDLE NXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXVDS IRFKAPSNVS QGEIYIDRIM FSVDDARYQW DATA SEQUENCE SDYQVKTRLS EPEIQFHNVK PQLPVTPENL AAIDLIRQRL INEFVGGEKE DATA SEQUENCE TNLALEENIS KLKSDFDALN IHTLANGGTQ GRHLITDKQI IIYQPENLNS DATA SEQUENCE QDKQLFDNYV ILGNYTTLMF NISRAYVLEK DPTQKAQLKQ MYLLMTKHLL DATA SEQUENCE DQGFVKGSAL VTTHHWGYSS RWWYISTLLM SDALKEANLQ TQVYDSLLWY DATA SEQUENCE SREFKSSFDM KVSADSSDLD YFNTLSRQHL ALLLLEPDDQ KRINLVNTFS DATA SEQUENCE HYITGALTQV PPGGKDGLRP DGTAWRHEGN YPGYSFPAFK NASQLIYLLR DATA SEQUENCE DTPFSVGESG WNNLKKAMVS AWIYSNPEVG LPLAGRHPFN SPSLKSVAQG DATA SEQUENCE YYWLAMSAKS SPDKTLASIY LAISDKTQNE STAIFGETIT PASLPQGFYA DATA SEQUENCE FNGGAFGIHR WQDKMVTLKA YNTNVWSSEI YNKDNRYGRY QSHGVAQIVS DATA SEQUENCE NGSQLSQGYQ QEGWDWNRME GATTIHLPLK DLDSPKPHTL MQRGERGFSG DATA SEQUENCE TSSLEGQYGM MAFNLIYPAN LERFDPNFTA KKSVLAADNH LIFIGSNINS DATA SEQUENCE SDKNKNVETT LFQHAITPTL NTLWINGQKI ENMPYQTTLQ QGDWLIDSNG DATA SEQUENCE NGYLITQAEK VNVSRQHQVS AENKNRQPTE GNFSSAWIDH STRPKDASYE DATA SEQUENCE YMVFLDATPE KMGEMAQKFR ENNGLYQVLR KDKDVHIILD KLSNVTGYAF DATA SEQUENCE YQPASIEDKW IKKVNKPAIV MTHRQKDTLI VSAVTPDLNM TRQKAATPVT DATA SEQUENCE INVTINGKWQ SADKNSEVKY QVSGDNTELT FTSYFGIPQE IKLSPLP 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.457 177.584 -0.212 0.000 1.274 25 A CA 0.000 51.780 52.037 -0.428 0.000 0.836 25 A CB 0.000 18.508 19.000 -0.820 0.000 0.831 26 T N -1.973 112.479 114.554 -0.171 0.000 2.773 26 T HA 0.681 5.032 4.350 0.001 0.000 0.278 26 T C 0.860 175.527 174.700 -0.056 0.000 1.011 26 T CA 0.346 62.396 62.100 -0.084 0.000 1.014 26 T CB 1.477 70.306 68.868 -0.066 0.000 1.293 26 T HN 0.803 nan 8.240 nan 0.000 0.554 27 S N 0.139 115.822 115.700 -0.030 0.000 2.527 27 S HA 0.164 4.634 4.470 0.001 0.000 0.222 27 S C 0.557 175.143 174.600 -0.023 0.000 0.985 27 S CA -0.027 58.165 58.200 -0.014 0.000 0.921 27 S CB -0.772 62.425 63.200 -0.005 0.000 0.772 27 S HN 0.669 nan 8.310 nan 0.000 0.529 28 N N 2.079 120.756 118.700 -0.038 0.000 2.483 28 N HA 0.264 5.004 4.740 0.001 0.000 0.269 28 N C -2.681 172.792 175.510 -0.061 0.000 1.209 28 N CA -1.363 51.663 53.050 -0.041 0.000 0.969 28 N CB 0.375 38.838 38.487 -0.040 0.000 1.173 28 N HN 0.081 nan 8.380 nan 0.000 0.475 29 P HA 0.042 nan 4.420 nan 0.000 0.269 29 P C -0.993 176.229 177.300 -0.131 0.000 1.215 29 P CA -0.291 62.761 63.100 -0.080 0.000 0.780 29 P CB 0.377 32.057 31.700 -0.033 0.000 0.898 30 A N 2.624 125.295 122.820 -0.249 0.000 2.511 30 A HA 0.324 4.645 4.320 0.001 0.000 0.242 30 A C 0.066 177.535 177.584 -0.192 0.000 1.069 30 A CA -0.166 51.611 52.037 -0.433 0.000 0.763 30 A CB -1.291 17.210 19.000 -0.833 0.000 1.001 30 A HN 0.562 nan 8.150 nan 0.000 0.498 31 F N -0.490 119.451 119.950 -0.015 0.000 2.950 31 F HA -0.159 4.368 4.527 0.001 0.000 0.334 31 F C 0.050 175.839 175.800 -0.018 0.000 0.979 31 F CA 0.849 58.845 58.000 -0.006 0.000 1.140 31 F CB -1.691 37.310 39.000 0.002 0.000 1.281 31 F HN 0.764 nan 8.300 nan 0.000 0.734 32 D N 2.244 122.687 120.400 0.072 0.000 2.198 32 D HA 0.328 4.968 4.640 0.001 0.000 0.245 32 D C -0.932 175.390 176.300 0.037 0.000 1.079 32 D CA -2.218 51.806 54.000 0.039 0.000 0.854 32 D CB 1.334 42.132 40.800 -0.003 0.000 1.148 32 D HN -0.085 nan 8.370 nan 0.000 0.456 33 P HA -0.185 nan 4.420 nan 0.000 0.222 33 P C 1.105 178.417 177.300 0.021 0.000 1.147 33 P CA 0.870 63.988 63.100 0.030 0.000 0.790 33 P CB 0.231 31.945 31.700 0.023 0.000 0.780 34 K N 1.006 121.414 120.400 0.013 0.000 2.103 34 K HA -0.146 4.174 4.320 0.001 0.000 0.207 34 K C -0.263 176.341 176.600 0.007 0.000 1.048 34 K CA 1.483 57.774 56.287 0.007 0.000 0.930 34 K CB -0.195 32.305 32.500 0.000 0.000 0.716 34 K HN 0.283 nan 8.250 nan 0.000 0.444 35 N N 0.368 119.073 118.700 0.008 0.000 2.701 35 N HA 0.034 4.774 4.740 0.001 0.000 0.258 35 N C -0.091 175.431 175.510 0.019 0.000 1.262 35 N CA -0.329 52.726 53.050 0.008 0.000 0.780 35 N CB 1.004 39.487 38.487 -0.007 0.000 1.380 35 N HN -0.095 nan 8.380 nan 0.000 0.548 36 L N 0.719 121.969 121.223 0.045 0.000 2.079 36 L HA 0.118 4.458 4.340 0.001 0.000 0.210 36 L C 1.137 178.058 176.870 0.084 0.000 1.081 36 L CA 1.898 56.792 54.840 0.090 0.000 0.752 36 L CB -0.367 41.751 42.059 0.097 0.000 0.896 36 L HN 0.617 nan 8.230 nan 0.000 0.433 37 M N -0.605 119.014 119.600 0.032 0.000 2.659 37 M HA 0.041 4.521 4.480 0.001 0.000 0.243 37 M C 0.706 176.972 176.300 -0.057 0.000 1.111 37 M CA 0.471 55.758 55.300 -0.023 0.000 1.070 37 M CB -1.084 31.487 32.600 -0.049 0.000 1.525 37 M HN 0.435 nan 8.290 nan 0.000 0.517 38 Q N 1.472 121.246 119.800 -0.044 0.000 2.337 38 Q HA 0.188 4.528 4.340 0.001 0.000 0.255 38 Q C -0.694 175.252 176.000 -0.089 0.000 0.997 38 Q CA -0.149 55.615 55.803 -0.065 0.000 0.925 38 Q CB 0.886 29.593 28.738 -0.053 0.000 1.212 38 Q HN 0.141 nan 8.270 nan 0.000 0.436 39 S N 3.507 119.153 115.700 -0.089 0.000 2.562 39 S HA 0.102 4.572 4.470 0.001 0.000 0.281 39 S C -0.399 174.151 174.600 -0.083 0.000 1.333 39 S CA -0.409 57.734 58.200 -0.094 0.000 1.052 39 S CB 0.719 63.885 63.200 -0.057 0.000 0.884 39 S HN 0.545 nan 8.310 nan 0.000 0.506 40 E N 2.228 122.381 120.200 -0.079 0.000 2.115 40 E HA 0.365 4.715 4.350 0.001 0.000 0.282 40 E C -0.567 176.023 176.600 -0.017 0.000 0.987 40 E CA -0.141 56.220 56.400 -0.065 0.000 0.797 40 E CB 0.894 30.570 29.700 -0.040 0.000 1.086 40 E HN 0.478 nan 8.360 nan 0.000 0.397 41 I N 3.447 123.932 120.570 -0.141 0.000 2.418 41 I HA 0.207 4.377 4.170 0.001 0.000 0.287 41 I C -0.628 175.265 176.117 -0.373 0.000 1.008 41 I CA -0.935 60.314 61.300 -0.084 0.000 1.104 41 I CB 0.985 39.071 38.000 0.142 0.000 1.264 41 I HN 0.351 nan 8.210 nan 0.000 0.438 42 Y N 4.993 125.233 120.300 -0.100 0.000 2.650 42 Y HA 0.135 4.685 4.550 0.001 0.000 0.343 42 Y C 1.033 176.556 175.900 -0.628 0.000 1.078 42 Y CA -0.374 57.500 58.100 -0.377 0.000 1.356 42 Y CB -0.194 38.182 38.460 -0.139 0.000 1.204 42 Y HN 0.593 nan 8.280 nan 0.000 0.508 43 H N -1.177 117.683 119.070 -0.350 0.000 2.755 43 H HA 0.231 4.787 4.556 0.001 0.000 0.273 43 H C 0.434 175.699 175.328 -0.105 0.000 1.055 43 H CA -1.242 54.681 56.048 -0.208 0.000 1.191 43 H CB -0.507 29.244 29.762 -0.018 0.000 1.536 43 H HN 0.542 nan 8.280 nan 0.000 0.529 44 F N -0.305 119.709 119.950 0.105 0.000 2.935 44 F HA -0.308 4.220 4.527 0.001 0.000 0.317 44 F C 1.198 177.097 175.800 0.165 0.000 0.699 44 F CA 0.530 58.597 58.000 0.112 0.000 1.127 44 F CB -1.685 37.357 39.000 0.070 0.000 1.491 44 F HN 0.494 nan 8.300 nan 0.000 0.337 45 A N 0.906 123.989 122.820 0.438 0.000 3.163 45 A HA 0.495 4.816 4.320 0.001 0.000 0.283 45 A C 0.630 178.369 177.584 0.258 0.000 1.412 45 A CA 0.464 52.696 52.037 0.324 0.000 1.053 45 A CB -0.228 18.922 19.000 0.250 0.000 1.082 45 A HN 0.572 nan 8.150 nan 0.000 0.639 46 Q N -0.637 119.275 119.800 0.187 0.000 2.693 46 Q HA 0.388 4.728 4.340 0.001 0.000 0.306 46 Q C -1.460 174.606 176.000 0.112 0.000 0.969 46 Q CA -1.190 54.688 55.803 0.126 0.000 0.757 46 Q CB 0.634 29.425 28.738 0.087 0.000 1.494 46 Q HN 0.278 nan 8.270 nan 0.000 0.459 47 N N 1.320 120.073 118.700 0.087 0.000 2.515 47 N HA 0.186 4.927 4.740 0.001 0.000 0.279 47 N C -0.481 175.084 175.510 0.092 0.000 1.164 47 N CA -0.280 52.818 53.050 0.080 0.000 0.982 47 N CB 0.306 38.829 38.487 0.060 0.000 1.170 47 N HN 0.717 nan 8.380 nan 0.000 0.474 48 N N -0.464 118.289 118.700 0.089 0.000 2.738 48 N HA -0.119 4.621 4.740 0.001 0.000 0.249 48 N C -1.769 173.836 175.510 0.157 0.000 1.047 48 N CA 0.014 53.127 53.050 0.105 0.000 0.707 48 N CB -0.840 37.706 38.487 0.097 0.000 0.937 48 N HN 0.485 nan 8.380 nan 0.000 0.545 49 P HA -0.137 nan 4.420 nan 0.000 0.217 49 P C 1.336 178.843 177.300 0.345 0.000 1.151 49 P CA 1.208 64.462 63.100 0.256 0.000 0.849 49 P CB 0.206 32.031 31.700 0.208 0.000 0.787 50 L N -2.490 118.868 121.223 0.224 0.000 2.872 50 L HA 0.355 4.696 4.340 0.001 0.000 0.245 50 L C 2.003 179.089 176.870 0.360 0.000 1.211 50 L CA -0.165 54.847 54.840 0.287 0.000 1.013 50 L CB -0.546 41.507 42.059 -0.011 0.000 1.326 50 L HN -0.127 nan 8.230 nan 0.000 0.525 51 A N 0.591 123.580 122.820 0.282 0.000 1.903 51 A HA -0.240 4.080 4.320 0.001 0.000 0.219 51 A C 1.611 179.309 177.584 0.191 0.000 1.191 51 A CA 2.169 54.323 52.037 0.196 0.000 0.638 51 A CB -0.300 18.793 19.000 0.155 0.000 0.823 51 A HN 0.394 nan 8.150 nan 0.000 0.451 52 D N -1.620 118.906 120.400 0.209 0.000 2.336 52 D HA 0.206 4.847 4.640 0.001 0.000 0.229 52 D C -0.608 175.577 176.300 -0.192 0.000 1.061 52 D CA 0.296 54.295 54.000 -0.001 0.000 0.875 52 D CB -0.151 40.583 40.800 -0.109 0.000 0.904 52 D HN 0.390 nan 8.370 nan 0.000 0.525 53 F N 0.695 120.694 119.950 0.081 0.000 2.458 53 F HA 0.323 4.851 4.527 0.001 0.000 0.336 53 F C 0.484 176.338 175.800 0.089 0.000 1.114 53 F CA -1.196 56.829 58.000 0.043 0.000 0.987 53 F CB 1.717 40.688 39.000 -0.049 0.000 1.130 53 F HN -0.335 nan 8.300 nan 0.000 0.458 54 S N 0.431 116.288 115.700 0.262 0.000 2.707 54 S HA 0.334 4.805 4.470 0.001 0.000 0.312 54 S C 0.426 175.127 174.600 0.169 0.000 1.116 54 S CA -0.374 57.951 58.200 0.208 0.000 1.078 54 S CB 1.280 64.637 63.200 0.261 0.000 0.997 54 S HN 0.596 nan 8.310 nan 0.000 0.477 55 S N 3.550 119.324 115.700 0.124 0.000 2.343 55 S HA -0.100 4.371 4.470 0.001 0.000 0.219 55 S C 0.828 175.512 174.600 0.140 0.000 1.033 55 S CA 1.219 59.489 58.200 0.117 0.000 1.014 55 S CB -1.184 62.058 63.200 0.069 0.000 0.915 55 S HN 0.861 nan 8.310 nan 0.000 0.435 56 D N 1.459 121.926 120.400 0.111 0.000 4.049 56 D HA -0.239 4.402 4.640 0.001 0.000 0.154 56 D C 0.478 176.847 176.300 0.116 0.000 0.764 56 D CA 2.923 56.982 54.000 0.099 0.000 1.058 56 D CB -1.286 39.566 40.800 0.087 0.000 0.472 56 D HN 0.750 nan 8.370 nan 0.000 0.449 57 K N 1.260 121.728 120.400 0.113 0.000 2.323 57 K HA -0.072 4.248 4.320 0.001 0.000 0.262 57 K C 0.421 177.125 176.600 0.174 0.000 1.238 57 K CA 1.092 57.453 56.287 0.123 0.000 1.249 57 K CB -1.319 31.247 32.500 0.111 0.000 0.805 57 K HN 0.499 nan 8.250 nan 0.000 0.489 58 N N 1.035 119.821 118.700 0.144 0.000 2.696 58 N HA -0.160 4.580 4.740 0.001 0.000 0.254 58 N C -0.807 174.838 175.510 0.224 0.000 0.988 58 N CA 1.379 54.522 53.050 0.155 0.000 0.775 58 N CB -0.666 37.905 38.487 0.141 0.000 0.933 58 N HN 0.759 nan 8.380 nan 0.000 0.539 59 S N -0.169 115.679 115.700 0.246 0.000 2.595 59 S HA 0.753 5.224 4.470 0.001 0.000 0.281 59 S C -0.026 174.701 174.600 0.211 0.000 1.117 59 S CA -0.634 57.772 58.200 0.343 0.000 0.873 59 S CB 2.552 66.108 63.200 0.593 0.000 1.108 59 S HN 0.191 nan 8.310 nan 0.000 0.477 60 I N 1.856 122.546 120.570 0.199 0.000 2.499 60 I HA 0.422 4.592 4.170 0.001 0.000 0.288 60 I C -1.364 174.783 176.117 0.050 0.000 1.048 60 I CA -0.464 60.884 61.300 0.080 0.000 1.062 60 I CB 1.558 39.574 38.000 0.027 0.000 1.238 60 I HN 0.314 nan 8.210 nan 0.000 0.426 61 L N 6.067 127.254 121.223 -0.060 0.000 2.319 61 L HA 0.618 4.958 4.340 0.001 0.000 0.281 61 L C -0.449 176.290 176.870 -0.218 0.000 1.005 61 L CA -0.270 54.450 54.840 -0.200 0.000 0.828 61 L CB 1.679 43.524 42.059 -0.357 0.000 1.227 61 L HN 0.566 nan 8.230 nan 0.000 0.415 62 T N 2.977 117.385 114.554 -0.242 0.000 2.930 62 T HA 0.614 4.964 4.350 0.001 0.000 0.290 62 T C -0.294 174.227 174.700 -0.300 0.000 1.052 62 T CA -0.667 61.298 62.100 -0.224 0.000 1.017 62 T CB 2.124 70.892 68.868 -0.165 0.000 1.137 62 T HN 0.265 nan 8.240 nan 0.000 0.511 63 L N 1.786 122.862 121.223 -0.245 0.000 2.309 63 L HA 0.661 5.001 4.340 0.001 0.000 0.282 63 L C 0.283 177.077 176.870 -0.127 0.000 1.036 63 L CA -0.654 54.044 54.840 -0.238 0.000 0.806 63 L CB 1.677 43.618 42.059 -0.197 0.000 1.220 63 L HN 0.592 nan 8.230 nan 0.000 0.429 64 S N 0.745 116.399 115.700 -0.075 0.000 2.532 64 S HA 0.310 4.780 4.470 0.001 0.000 0.301 64 S C 0.047 174.690 174.600 0.073 0.000 1.083 64 S CA -0.696 57.516 58.200 0.019 0.000 1.025 64 S CB 1.500 64.761 63.200 0.102 0.000 1.056 64 S HN 0.768 nan 8.310 nan 0.000 0.494 65 D N 2.472 122.913 120.400 0.068 0.000 2.431 65 D HA 0.053 4.693 4.640 0.001 0.000 0.213 65 D C 0.831 177.176 176.300 0.074 0.000 1.130 65 D CA -0.161 53.885 54.000 0.075 0.000 0.834 65 D CB -0.022 40.810 40.800 0.053 0.000 0.985 65 D HN 0.682 nan 8.370 nan 0.000 0.504 66 K N 0.408 120.852 120.400 0.074 0.000 2.459 66 K HA 0.077 4.397 4.320 0.001 0.000 0.193 66 K C 0.771 177.371 176.600 0.001 0.000 1.030 66 K CA -0.112 56.194 56.287 0.033 0.000 1.026 66 K CB 0.581 33.086 32.500 0.009 0.000 0.809 66 K HN -0.058 nan 8.250 nan 0.000 0.504 67 R N 0.763 121.290 120.500 0.045 0.000 2.536 67 R HA 0.201 4.542 4.340 0.001 0.000 0.269 67 R C -1.865 174.599 176.300 0.272 0.000 1.113 67 R CA -0.168 55.966 56.100 0.056 0.000 0.948 67 R CB 1.808 31.926 30.300 -0.304 0.000 1.237 67 R HN 0.334 nan 8.270 nan 0.000 0.441 68 S N 3.928 119.839 115.700 0.352 0.000 2.595 68 S HA 0.411 4.882 4.470 0.001 0.000 0.270 68 S C -0.200 174.349 174.600 -0.085 0.000 1.145 68 S CA -0.987 57.382 58.200 0.281 0.000 0.825 68 S CB 1.162 64.473 63.200 0.185 0.000 1.107 68 S HN 0.355 nan 8.310 nan 0.000 0.461 69 I N 0.274 120.621 120.570 -0.372 0.000 2.681 69 I HA 0.338 4.508 4.170 0.001 0.000 0.247 69 I C 0.935 176.801 176.117 -0.418 0.000 1.091 69 I CA 0.988 61.772 61.300 -0.860 0.000 1.442 69 I CB -0.361 36.774 38.000 -1.442 0.000 1.219 69 I HN 0.728 nan 8.210 nan 0.000 0.451 70 M N 0.115 119.647 119.600 -0.115 0.000 2.311 70 M HA 0.490 4.970 4.480 0.001 0.000 0.325 70 M C 0.210 176.539 176.300 0.049 0.000 1.061 70 M CA 0.139 55.473 55.300 0.057 0.000 0.957 70 M CB 1.672 34.350 32.600 0.131 0.000 1.646 70 M HN 0.428 nan 8.290 nan 0.000 0.434 71 G N 3.838 112.634 108.800 -0.007 0.000 2.542 71 G HA2 -0.283 3.677 3.960 0.001 0.000 0.235 71 G HA3 -0.283 3.677 3.960 0.001 0.000 0.235 71 G C -0.191 174.745 174.900 0.060 0.000 1.286 71 G CA 0.180 45.294 45.100 0.023 0.000 0.904 71 G HN 1.003 nan 8.290 nan 0.000 0.577 72 N N -0.582 118.174 118.700 0.092 0.000 2.181 72 N HA 0.163 4.904 4.740 0.001 0.000 0.207 72 N C 0.577 176.159 175.510 0.121 0.000 1.182 72 N CA 0.038 53.142 53.050 0.090 0.000 0.893 72 N CB 1.090 39.617 38.487 0.067 0.000 1.032 72 N HN 0.644 nan 8.380 nan 0.000 0.513 73 Q N 1.061 120.960 119.800 0.166 0.000 2.399 73 Q HA 0.447 4.787 4.340 0.001 0.000 0.276 73 Q C -1.110 175.043 176.000 0.255 0.000 1.098 73 Q CA -0.814 55.093 55.803 0.173 0.000 0.827 73 Q CB 2.411 31.226 28.738 0.128 0.000 1.386 73 Q HN 0.287 nan 8.270 nan 0.000 0.443 74 S N 0.275 116.096 115.700 0.201 0.000 2.632 74 S HA 0.644 5.114 4.470 0.001 0.000 0.289 74 S C -1.269 173.268 174.600 -0.105 0.000 1.115 74 S CA -0.906 57.441 58.200 0.244 0.000 0.889 74 S CB 1.124 64.606 63.200 0.470 0.000 1.116 74 S HN 0.515 nan 8.310 nan 0.000 0.486 75 L N 1.931 122.990 121.223 -0.273 0.000 2.278 75 L HA 0.564 4.904 4.340 0.001 0.000 0.287 75 L C -0.866 175.845 176.870 -0.264 0.000 1.072 75 L CA -0.602 53.916 54.840 -0.536 0.000 0.819 75 L CB 0.460 42.035 42.059 -0.806 0.000 1.176 75 L HN 0.725 nan 8.230 nan 0.000 0.435 76 L N 6.896 127.909 121.223 -0.351 0.000 2.265 76 L HA 0.361 4.701 4.340 0.001 0.000 0.288 76 L C -1.370 175.387 176.870 -0.188 0.000 1.058 76 L CA -0.010 54.578 54.840 -0.420 0.000 0.809 76 L CB 0.831 42.569 42.059 -0.535 0.000 1.179 76 L HN 0.795 nan 8.230 nan 0.000 0.429 77 W N 7.603 128.742 121.300 -0.269 0.000 2.363 77 W HA 0.453 5.113 4.660 0.001 0.000 0.314 77 W C -0.809 175.756 176.519 0.077 0.000 0.994 77 W CA -1.346 55.928 57.345 -0.119 0.000 1.449 77 W CB 0.553 29.967 29.460 -0.077 0.000 1.248 77 W HN 0.496 nan 8.180 nan 0.000 0.409 78 K N 6.207 126.616 120.400 0.015 0.000 2.174 78 K HA 0.431 4.751 4.320 0.001 0.000 0.275 78 K C -0.235 176.310 176.600 -0.092 0.000 1.015 78 K CA -0.256 55.910 56.287 -0.202 0.000 0.933 78 K CB 1.473 33.873 32.500 -0.167 0.000 1.025 78 K HN 0.517 nan 8.250 nan 0.000 0.463 79 W N 0.650 121.775 121.300 -0.291 0.000 3.025 79 W HA 0.458 5.118 4.660 0.001 0.000 0.343 79 W C -1.266 175.176 176.519 -0.128 0.000 1.246 79 W CA -0.971 56.255 57.345 -0.199 0.000 1.178 79 W CB 0.565 29.772 29.460 -0.421 0.000 1.463 79 W HN 0.218 nan 8.180 nan 0.000 0.578 80 K N 0.945 121.548 120.400 0.339 0.000 2.267 80 K HA 0.456 4.776 4.320 0.001 0.000 0.246 80 K C 0.347 177.209 176.600 0.437 0.000 0.954 80 K CA -0.907 55.540 56.287 0.267 0.000 0.824 80 K CB 2.142 34.716 32.500 0.124 0.000 1.167 80 K HN 0.687 nan 8.250 nan 0.000 0.431 81 G N -0.294 108.724 108.800 0.363 0.000 2.187 81 G HA2 0.200 4.160 3.960 0.001 0.000 0.239 81 G HA3 0.200 4.160 3.960 0.001 0.000 0.239 81 G C 0.986 175.977 174.900 0.151 0.000 1.200 81 G CA 0.851 46.112 45.100 0.268 0.000 0.888 81 G HN 0.815 nan 8.290 nan 0.000 0.482 82 G N 0.670 109.516 108.800 0.077 0.000 2.168 82 G HA2 -0.196 3.764 3.960 0.001 0.000 0.263 82 G HA3 -0.196 3.764 3.960 0.001 0.000 0.263 82 G C 0.837 175.785 174.900 0.080 0.000 0.977 82 G CA 1.205 46.336 45.100 0.052 0.000 0.659 82 G HN 1.865 nan 8.290 nan 0.000 0.533 83 S N -0.340 115.442 115.700 0.137 0.000 2.632 83 S HA 0.808 5.278 4.470 0.001 0.000 0.267 83 S C 0.374 175.125 174.600 0.252 0.000 1.276 83 S CA 0.936 59.256 58.200 0.200 0.000 0.998 83 S CB 1.595 64.965 63.200 0.283 0.000 0.953 83 S HN 1.930 nan 8.310 nan 0.000 0.547 84 S N 1.588 117.439 115.700 0.252 0.000 2.579 84 S HA 0.769 5.239 4.470 0.001 0.000 0.272 84 S C -0.909 173.773 174.600 0.135 0.000 1.141 84 S CA -0.951 57.356 58.200 0.178 0.000 0.843 84 S CB 1.065 64.265 63.200 0.001 0.000 1.122 84 S HN 1.148 nan 8.310 nan 0.000 0.468 85 F N -0.488 119.319 119.950 -0.237 0.000 2.598 85 F HA 0.931 5.458 4.527 0.001 0.000 0.327 85 F C -0.817 174.789 175.800 -0.322 0.000 1.057 85 F CA -0.640 57.171 58.000 -0.315 0.000 0.957 85 F CB 1.646 40.330 39.000 -0.528 0.000 1.278 85 F HN 0.580 nan 8.300 nan 0.000 0.484 86 T N 3.304 117.709 114.554 -0.248 0.000 2.881 86 T HA 0.486 4.837 4.350 0.001 0.000 0.290 86 T C -1.586 172.774 174.700 -0.567 0.000 1.000 86 T CA -0.434 61.360 62.100 -0.510 0.000 0.978 86 T CB 1.588 70.154 68.868 -0.503 0.000 0.997 86 T HN 0.778 nan 8.240 nan 0.000 0.443 87 L N 4.525 125.334 121.223 -0.691 0.000 2.257 87 L HA 0.411 4.751 4.340 0.001 0.000 0.290 87 L C -0.541 175.931 176.870 -0.663 0.000 1.044 87 L CA -0.211 54.134 54.840 -0.824 0.000 0.810 87 L CB 0.176 41.830 42.059 -0.675 0.000 1.193 87 L HN 0.633 nan 8.230 nan 0.000 0.425 88 H N 5.019 123.866 119.070 -0.372 0.000 2.741 88 H HA 0.455 5.011 4.556 0.001 0.000 0.282 88 H C -0.665 174.569 175.328 -0.158 0.000 1.122 88 H CA -0.531 55.397 56.048 -0.201 0.000 1.293 88 H CB 0.958 30.636 29.762 -0.140 0.000 1.415 88 H HN 0.408 nan 8.280 nan 0.000 0.472 89 K N 2.971 123.344 120.400 -0.044 0.000 2.589 89 K HA 0.207 4.527 4.320 0.001 0.000 0.253 89 K C -1.045 175.502 176.600 -0.089 0.000 0.974 89 K CA -0.598 55.661 56.287 -0.048 0.000 0.835 89 K CB 1.404 33.884 32.500 -0.034 0.000 1.272 89 K HN 0.271 nan 8.250 nan 0.000 0.444 90 K N 4.033 124.391 120.400 -0.069 0.000 2.350 90 K HA 0.345 4.666 4.320 0.001 0.000 0.279 90 K C -0.481 176.056 176.600 -0.105 0.000 1.027 90 K CA -0.217 56.035 56.287 -0.059 0.000 0.969 90 K CB 0.433 32.914 32.500 -0.032 0.000 0.954 90 K HN 0.470 nan 8.250 nan 0.000 0.474 91 L N 4.273 125.464 121.223 -0.053 0.000 2.381 91 L HA 0.487 4.828 4.340 0.001 0.000 0.274 91 L C -0.353 176.565 176.870 0.080 0.000 0.988 91 L CA -0.756 54.093 54.840 0.014 0.000 0.824 91 L CB 1.353 43.450 42.059 0.062 0.000 1.263 91 L HN 0.478 nan 8.230 nan 0.000 0.410 92 I N 3.787 124.436 120.570 0.133 0.000 2.316 92 I HA 0.200 4.371 4.170 0.001 0.000 0.286 92 I C -0.119 176.035 176.117 0.062 0.000 1.107 92 I CA -0.578 60.771 61.300 0.081 0.000 1.219 92 I CB 1.051 39.088 38.000 0.062 0.000 1.455 92 I HN 0.300 nan 8.210 nan 0.000 0.498 93 V N 8.177 128.060 119.914 -0.052 0.000 2.439 93 V HA 0.162 4.283 4.120 0.001 0.000 0.271 93 V C -1.528 174.396 176.094 -0.284 0.000 1.040 93 V CA -1.162 60.950 62.300 -0.313 0.000 1.002 93 V CB 0.179 31.849 31.823 -0.254 0.000 1.000 93 V HN 0.542 nan 8.190 nan 0.000 0.477 94 P HA 0.224 nan 4.420 nan 0.000 0.274 94 P C 0.055 177.238 177.300 -0.196 0.000 1.231 94 P CA -0.236 62.736 63.100 -0.213 0.000 0.790 94 P CB 0.530 32.121 31.700 -0.182 0.000 0.951 95 T N -1.581 112.902 114.554 -0.119 0.000 2.802 95 T HA 0.054 4.405 4.350 0.001 0.000 0.305 95 T C 0.891 175.539 174.700 -0.087 0.000 1.053 95 T CA -0.277 61.764 62.100 -0.098 0.000 1.058 95 T CB 0.083 68.912 68.868 -0.065 0.000 0.988 95 T HN 0.230 nan 8.240 nan 0.000 0.539 96 D N 0.680 121.036 120.400 -0.074 0.000 2.133 96 D HA -0.118 4.523 4.640 0.001 0.000 0.195 96 D C 2.085 178.367 176.300 -0.030 0.000 0.997 96 D CA 1.263 55.232 54.000 -0.051 0.000 0.840 96 D CB -0.045 40.727 40.800 -0.047 0.000 0.947 96 D HN 0.533 nan 8.370 nan 0.000 0.452 97 K N 0.957 121.338 120.400 -0.032 0.000 2.009 97 K HA -0.148 4.173 4.320 0.001 0.000 0.210 97 K C 2.115 178.709 176.600 -0.011 0.000 1.049 97 K CA 0.998 57.272 56.287 -0.021 0.000 0.929 97 K CB -0.584 31.901 32.500 -0.024 0.000 0.714 97 K HN 0.371 nan 8.250 nan 0.000 0.440 98 E N 0.788 120.977 120.200 -0.019 0.000 2.058 98 E HA -0.177 4.174 4.350 0.001 0.000 0.194 98 E C 2.144 178.752 176.600 0.013 0.000 0.997 98 E CA 1.210 57.605 56.400 -0.008 0.000 0.801 98 E CB -0.201 29.485 29.700 -0.024 0.000 0.746 98 E HN 0.356 nan 8.360 nan 0.000 0.450 99 A N 1.138 123.959 122.820 0.003 0.000 1.865 99 A HA -0.225 4.096 4.320 0.001 0.000 0.217 99 A C 2.385 180.033 177.584 0.107 0.000 1.191 99 A CA 1.986 54.048 52.037 0.043 0.000 0.623 99 A CB -0.627 18.377 19.000 0.007 0.000 0.826 99 A HN 0.157 nan 8.150 nan 0.000 0.444 100 S N -0.296 115.449 115.700 0.076 0.000 2.368 100 S HA -0.153 4.317 4.470 0.001 0.000 0.225 100 S C 1.979 176.621 174.600 0.070 0.000 1.030 100 S CA 1.452 59.701 58.200 0.082 0.000 0.999 100 S CB -0.247 62.966 63.200 0.021 0.000 0.844 100 S HN 0.550 nan 8.310 nan 0.000 0.459 101 K N 1.195 121.623 120.400 0.046 0.000 2.057 101 K HA -0.036 4.284 4.320 0.001 0.000 0.207 101 K C 2.402 179.045 176.600 0.072 0.000 1.049 101 K CA 1.219 57.529 56.287 0.039 0.000 0.931 101 K CB -0.363 32.151 32.500 0.023 0.000 0.714 101 K HN 0.360 nan 8.250 nan 0.000 0.440 102 A N 0.178 123.057 122.820 0.099 0.000 1.930 102 A HA -0.180 4.140 4.320 0.001 0.000 0.217 102 A C 1.818 179.532 177.584 0.216 0.000 1.175 102 A CA 1.183 53.295 52.037 0.125 0.000 0.627 102 A CB -0.516 18.549 19.000 0.109 0.000 0.815 102 A HN 0.527 nan 8.150 nan 0.000 0.443 103 W N -0.911 120.394 121.300 0.009 0.000 2.580 103 W HA 0.327 4.987 4.660 0.001 0.000 0.287 103 W C 1.512 178.033 176.519 0.003 0.000 1.175 103 W CA 1.400 58.751 57.345 0.011 0.000 1.409 103 W CB 0.050 29.520 29.460 0.017 0.000 1.101 103 W HN 0.650 nan 8.180 nan 0.000 0.558 104 G N 0.900 109.695 108.800 -0.007 0.000 2.183 104 G HA2 -0.111 3.849 3.960 0.001 0.000 0.168 104 G HA3 -0.111 3.849 3.960 0.001 0.000 0.168 104 G C 0.062 174.799 174.900 -0.271 0.000 1.008 104 G CA -0.173 44.837 45.100 -0.151 0.000 0.677 104 G HN 0.430 nan 8.290 nan 0.000 0.498 105 R N -1.187 119.127 120.500 -0.311 0.000 2.752 105 R HA 0.743 5.083 4.340 0.001 0.000 0.271 105 R C -0.469 175.744 176.300 -0.145 0.000 1.026 105 R CA -0.201 55.717 56.100 -0.303 0.000 0.901 105 R CB 0.515 30.502 30.300 -0.522 0.000 1.243 105 R HN 0.572 nan 8.270 nan 0.000 0.463 106 S N 0.691 116.321 115.700 -0.117 0.000 2.515 106 S HA 0.253 4.723 4.470 0.001 0.000 0.285 106 S C -0.616 174.000 174.600 0.026 0.000 1.265 106 S CA 0.119 58.289 58.200 -0.050 0.000 1.079 106 S CB -0.021 63.132 63.200 -0.078 0.000 0.877 106 S HN 0.515 nan 8.310 nan 0.000 0.493 107 S N 2.866 118.611 115.700 0.075 0.000 2.661 107 S HA 0.808 5.278 4.470 0.001 0.000 0.285 107 S C -0.675 173.960 174.600 0.058 0.000 1.138 107 S CA -0.758 57.533 58.200 0.152 0.000 0.855 107 S CB 2.100 65.468 63.200 0.279 0.000 1.136 107 S HN 0.800 nan 8.310 nan 0.000 0.484 108 T N 2.384 116.967 114.554 0.047 0.000 2.942 108 T HA 0.538 4.888 4.350 0.001 0.000 0.327 108 T C -3.193 171.495 174.700 -0.020 0.000 1.360 108 T CA -1.666 60.424 62.100 -0.016 0.000 1.055 108 T CB 1.648 70.498 68.868 -0.031 0.000 1.261 108 T HN 0.300 nan 8.240 nan 0.000 0.485 109 P HA 0.369 nan 4.420 nan 0.000 0.271 109 P C -0.991 176.340 177.300 0.053 0.000 1.220 109 P CA -0.208 62.815 63.100 -0.129 0.000 0.768 109 P CB 0.820 32.121 31.700 -0.665 0.000 0.848 110 V N 5.069 125.128 119.914 0.242 0.000 2.735 110 V HA 0.388 4.508 4.120 0.001 0.000 0.310 110 V C -0.408 175.852 176.094 0.277 0.000 1.061 110 V CA -0.693 61.705 62.300 0.163 0.000 0.913 110 V CB 1.884 33.733 31.823 0.043 0.000 1.005 110 V HN 0.433 nan 8.190 nan 0.000 0.428 111 F N 4.626 124.609 119.950 0.056 0.000 2.415 111 F HA 0.765 5.293 4.527 0.001 0.000 0.348 111 F C 0.209 176.020 175.800 0.019 0.000 1.119 111 F CA -0.161 57.857 58.000 0.030 0.000 1.069 111 F CB 1.457 40.575 39.000 0.197 0.000 1.124 111 F HN 0.537 nan 8.300 nan 0.000 0.472 112 S N 6.435 121.721 115.700 -0.689 0.000 2.564 112 S HA 0.888 5.359 4.470 0.001 0.000 0.274 112 S C -1.120 173.246 174.600 -0.391 0.000 1.124 112 S CA -0.633 57.237 58.200 -0.551 0.000 0.869 112 S CB 1.952 64.939 63.200 -0.356 0.000 1.105 112 S HN 0.959 nan 8.310 nan 0.000 0.472 113 F N -1.914 117.791 119.950 -0.407 0.000 2.779 113 F HA 0.907 5.435 4.527 0.001 0.000 0.316 113 F C -2.382 173.395 175.800 -0.037 0.000 1.164 113 F CA -1.569 56.383 58.000 -0.079 0.000 0.924 113 F CB 0.556 39.619 39.000 0.105 0.000 1.348 113 F HN 0.633 nan 8.300 nan 0.000 0.467 114 W N 2.793 124.209 121.300 0.193 0.000 2.666 114 W HA 0.785 5.445 4.660 0.001 0.000 0.334 114 W C -1.109 175.798 176.519 0.646 0.000 1.051 114 W CA -0.844 56.611 57.345 0.183 0.000 1.224 114 W CB 2.014 31.457 29.460 -0.027 0.000 1.405 114 W HN 0.717 nan 8.180 nan 0.000 0.513 115 L N 0.906 122.665 121.223 0.893 0.000 2.409 115 L HA 0.730 5.070 4.340 0.001 0.000 0.262 115 L C -1.939 175.389 176.870 0.763 0.000 0.992 115 L CA -1.318 54.068 54.840 0.910 0.000 0.817 115 L CB 2.497 45.038 42.059 0.804 0.000 1.350 115 L HN 0.512 nan 8.230 nan 0.000 0.411 116 Y N 1.520 121.973 120.300 0.255 0.000 2.361 116 Y HA 0.494 5.044 4.550 0.001 0.000 0.337 116 Y C -0.820 175.078 175.900 -0.004 0.000 0.965 116 Y CA -0.354 57.636 58.100 -0.184 0.000 1.091 116 Y CB 2.034 39.810 38.460 -1.139 0.000 1.182 116 Y HN 0.759 nan 8.280 nan 0.000 0.450 117 N N 4.451 123.058 118.700 -0.154 0.000 2.400 117 N HA 0.178 4.918 4.740 0.001 0.000 0.288 117 N C 0.023 175.482 175.510 -0.085 0.000 1.024 117 N CA -0.589 52.377 53.050 -0.140 0.000 0.894 117 N CB 1.400 39.587 38.487 -0.500 0.000 1.173 117 N HN 0.751 nan 8.380 nan 0.000 0.487 118 E N 1.273 121.528 120.200 0.091 0.000 2.385 118 E HA -0.006 4.344 4.350 0.001 0.000 0.194 118 E C -0.364 176.236 176.600 0.001 0.000 1.013 118 E CA 0.789 57.252 56.400 0.105 0.000 0.866 118 E CB 0.311 30.074 29.700 0.105 0.000 0.832 118 E HN 0.526 nan 8.360 nan 0.000 0.500 119 K N 0.658 121.024 120.400 -0.056 0.000 2.532 119 K HA 0.406 4.726 4.320 0.001 0.000 0.265 119 K C -3.051 173.463 176.600 -0.142 0.000 0.948 119 K CA -2.192 54.047 56.287 -0.080 0.000 0.842 119 K CB 1.690 34.154 32.500 -0.060 0.000 1.392 119 K HN -0.290 nan 8.250 nan 0.000 0.436 120 P HA 0.170 nan 4.420 nan 0.000 0.271 120 P C -0.713 176.506 177.300 -0.134 0.000 1.216 120 P CA -0.054 62.942 63.100 -0.173 0.000 0.776 120 P CB 0.553 32.193 31.700 -0.101 0.000 0.881 121 I N 2.028 122.506 120.570 -0.154 0.000 2.406 121 I HA 0.156 4.326 4.170 0.001 0.000 0.290 121 I C 0.595 176.672 176.117 -0.066 0.000 0.999 121 I CA -0.428 60.830 61.300 -0.070 0.000 1.124 121 I CB 1.498 39.494 38.000 -0.008 0.000 1.289 121 I HN 0.175 nan 8.210 nan 0.000 0.441 122 D N 5.727 126.112 120.400 -0.026 0.000 2.801 122 D HA 0.422 5.062 4.640 0.001 0.000 0.232 122 D C 0.154 176.456 176.300 0.004 0.000 1.128 122 D CA 0.431 54.418 54.000 -0.021 0.000 1.003 122 D CB -0.068 40.732 40.800 -0.000 0.000 1.110 122 D HN 0.747 nan 8.370 nan 0.000 0.477 123 G N 0.170 108.940 108.800 -0.049 0.000 2.428 123 G HA2 0.339 4.300 3.960 0.001 0.000 0.304 123 G HA3 0.339 4.300 3.960 0.001 0.000 0.304 123 G C -1.905 172.902 174.900 -0.155 0.000 1.303 123 G CA -0.810 44.298 45.100 0.013 0.000 0.825 123 G HN 0.078 nan 8.290 nan 0.000 0.484 124 Y N -0.766 119.532 120.300 -0.003 0.000 2.446 124 Y HA 0.640 5.191 4.550 0.001 0.000 0.345 124 Y C 0.083 175.956 175.900 -0.045 0.000 0.984 124 Y CA -0.765 57.335 58.100 0.000 0.000 1.058 124 Y CB 2.239 40.700 38.460 0.002 0.000 1.220 124 Y HN 0.539 nan 8.280 nan 0.000 0.455 125 L N 2.727 124.011 121.223 0.102 0.000 2.326 125 L HA 0.546 4.886 4.340 0.001 0.000 0.278 125 L C -0.264 176.593 176.870 -0.022 0.000 1.092 125 L CA 0.244 55.108 54.840 0.041 0.000 0.810 125 L CB 0.868 43.005 42.059 0.130 0.000 1.153 125 L HN 0.631 nan 8.230 nan 0.000 0.439 126 T N 6.651 121.140 114.554 -0.110 0.000 2.770 126 T HA 0.559 4.909 4.350 0.001 0.000 0.283 126 T C -0.263 174.190 174.700 -0.412 0.000 0.988 126 T CA -0.270 61.698 62.100 -0.221 0.000 0.957 126 T CB 0.673 69.457 68.868 -0.141 0.000 0.930 126 T HN 0.354 nan 8.240 nan 0.000 0.443 127 I N 3.592 123.762 120.570 -0.667 0.000 2.339 127 I HA 0.446 4.616 4.170 0.001 0.000 0.290 127 I C -0.279 175.413 176.117 -0.708 0.000 0.994 127 I CA -0.667 60.076 61.300 -0.928 0.000 1.191 127 I CB 1.534 38.752 38.000 -1.303 0.000 1.343 127 I HN 0.506 nan 8.210 nan 0.000 0.458 128 D N 5.893 125.868 120.400 -0.709 0.000 2.457 128 D HA 0.557 5.198 4.640 0.001 0.000 0.240 128 D C -1.090 174.799 176.300 -0.685 0.000 1.041 128 D CA -0.103 53.615 54.000 -0.469 0.000 0.861 128 D CB 2.500 43.145 40.800 -0.259 0.000 1.394 128 D HN 0.110 nan 8.370 nan 0.000 0.473 129 F N 0.467 120.341 119.950 -0.127 0.000 2.493 129 F HA 0.668 5.195 4.527 0.001 0.000 0.329 129 F C 0.911 176.670 175.800 -0.070 0.000 1.126 129 F CA -0.438 57.501 58.000 -0.102 0.000 0.937 129 F CB 2.375 41.333 39.000 -0.071 0.000 1.146 129 F HN 0.345 nan 8.300 nan 0.000 0.442 130 G N 2.005 110.846 108.800 0.067 0.000 2.548 130 G HA2 0.313 4.273 3.960 0.001 0.000 0.301 130 G HA3 0.313 4.273 3.960 0.001 0.000 0.301 130 G C -0.419 174.492 174.900 0.019 0.000 1.349 130 G CA -0.587 44.535 45.100 0.035 0.000 0.792 130 G HN 0.513 nan 8.290 nan 0.000 0.481 131 E N -0.230 119.978 120.200 0.013 0.000 2.004 131 E HA 0.136 4.486 4.350 0.001 0.000 0.194 131 E C 0.533 177.142 176.600 0.015 0.000 0.981 131 E CA 0.886 57.294 56.400 0.013 0.000 0.842 131 E CB 0.054 29.759 29.700 0.009 0.000 0.796 131 E HN 0.235 nan 8.360 nan 0.000 0.477 132 K N 0.872 121.279 120.400 0.012 0.000 2.724 132 K HA 0.311 4.632 4.320 0.001 0.000 0.198 132 K C -1.147 175.465 176.600 0.020 0.000 1.099 132 K CA -0.174 56.127 56.287 0.024 0.000 1.025 132 K CB 0.623 33.131 32.500 0.014 0.000 1.509 132 K HN 0.171 nan 8.250 nan 0.000 0.564 133 L N 4.201 125.428 121.223 0.006 0.000 2.418 133 L HA 0.305 4.646 4.340 0.001 0.000 0.274 133 L C 0.488 177.354 176.870 -0.006 0.000 1.135 133 L CA -0.188 54.638 54.840 -0.023 0.000 0.870 133 L CB -0.126 41.888 42.059 -0.075 0.000 1.154 133 L HN 0.414 nan 8.230 nan 0.000 0.462 134 I N -0.092 120.476 120.570 -0.004 0.000 3.449 134 I HA 0.420 4.590 4.170 0.001 0.000 0.294 134 I C 1.369 177.478 176.117 -0.014 0.000 1.163 134 I CA -0.703 60.599 61.300 0.002 0.000 1.010 134 I CB 1.539 39.550 38.000 0.018 0.000 1.307 134 I HN 0.551 nan 8.210 nan 0.000 0.518 135 S N -0.529 115.170 115.700 -0.002 0.000 2.419 135 S HA -0.144 4.326 4.470 0.001 0.000 0.233 135 S C 1.430 176.027 174.600 -0.005 0.000 1.016 135 S CA 1.546 59.744 58.200 -0.003 0.000 0.974 135 S CB -1.274 61.937 63.200 0.018 0.000 0.786 135 S HN 0.867 nan 8.310 nan 0.000 0.492 136 T N 1.103 115.657 114.554 -0.001 0.000 3.067 136 T HA 0.209 4.559 4.350 0.001 0.000 0.257 136 T C 0.889 175.586 174.700 -0.006 0.000 1.105 136 T CA 0.231 62.331 62.100 -0.001 0.000 1.104 136 T CB -0.241 68.629 68.868 0.004 0.000 0.925 136 T HN 0.368 nan 8.240 nan 0.000 0.498 137 S N 1.983 117.676 115.700 -0.011 0.000 2.589 137 S HA 0.155 4.626 4.470 0.001 0.000 0.265 137 S C 1.146 175.734 174.600 -0.020 0.000 1.342 137 S CA -0.527 57.665 58.200 -0.014 0.000 1.005 137 S CB 1.008 64.197 63.200 -0.017 0.000 0.909 137 S HN 0.652 nan 8.310 nan 0.000 0.555 138 E N 1.316 121.506 120.200 -0.017 0.000 2.329 138 E HA 0.566 4.916 4.350 0.001 0.000 0.189 138 E C 0.033 176.622 176.600 -0.018 0.000 0.997 138 E CA -0.110 56.280 56.400 -0.018 0.000 1.062 138 E CB -0.398 29.295 29.700 -0.012 0.000 1.260 138 E HN 0.779 nan 8.360 nan 0.000 0.490 139 A N 1.554 124.369 122.820 -0.009 0.000 1.616 139 A HA -0.243 4.078 4.320 0.001 0.000 0.208 139 A C 0.433 178.022 177.584 0.008 0.000 1.293 139 A CA 1.416 53.452 52.037 -0.003 0.000 0.657 139 A CB -1.985 17.011 19.000 -0.007 0.000 1.154 139 A HN 0.653 nan 8.150 nan 0.000 0.202 140 Q N -0.818 118.991 119.800 0.015 0.000 1.684 140 Q HA 0.047 4.387 4.340 0.001 0.000 0.267 140 Q C 0.297 176.323 176.000 0.042 0.000 1.851 140 Q CA 2.475 58.295 55.803 0.029 0.000 0.926 140 Q CB -1.391 27.373 28.738 0.042 0.000 2.230 140 Q HN 2.890 nan 8.270 nan 0.000 0.475 141 A N -0.349 122.521 122.820 0.083 0.000 2.594 141 A HA 0.859 5.179 4.320 0.001 0.000 0.295 141 A C -0.280 177.443 177.584 0.231 0.000 1.071 141 A CA 0.401 52.505 52.037 0.113 0.000 0.685 141 A CB 1.974 21.017 19.000 0.072 0.000 1.285 141 A HN 1.294 nan 8.150 nan 0.000 0.405 142 G N -0.865 108.082 108.800 0.244 0.000 2.489 142 G HA2 0.773 4.734 3.960 0.001 0.000 0.305 142 G HA3 0.773 4.734 3.960 0.001 0.000 0.305 142 G C -1.283 173.840 174.900 0.371 0.000 1.311 142 G CA 0.214 45.528 45.100 0.357 0.000 0.813 142 G HN 2.024 nan 8.290 nan 0.000 0.480 143 F N -1.462 118.562 119.950 0.124 0.000 2.685 143 F HA 0.888 5.416 4.527 0.001 0.000 0.315 143 F C -0.965 174.887 175.800 0.087 0.000 1.126 143 F CA -1.561 56.502 58.000 0.105 0.000 0.950 143 F CB 1.512 40.602 39.000 0.150 0.000 1.360 143 F HN 0.455 nan 8.300 nan 0.000 0.469 144 K N 1.463 121.968 120.400 0.176 0.000 2.221 144 K HA 0.731 5.051 4.320 0.001 0.000 0.258 144 K C -1.657 175.125 176.600 0.304 0.000 0.944 144 K CA -1.102 55.267 56.287 0.136 0.000 0.823 144 K CB 2.537 35.110 32.500 0.122 0.000 1.113 144 K HN 0.548 nan 8.250 nan 0.000 0.431 145 V N 3.491 123.561 119.914 0.259 0.000 2.349 145 V HA 0.188 4.308 4.120 0.001 0.000 0.284 145 V C -0.192 176.014 176.094 0.187 0.000 1.014 145 V CA -0.933 61.530 62.300 0.272 0.000 0.826 145 V CB 1.141 33.121 31.823 0.261 0.000 1.009 145 V HN 0.662 nan 8.190 nan 0.000 0.431 146 K N 3.675 124.118 120.400 0.071 0.000 2.448 146 K HA 0.267 4.587 4.320 0.001 0.000 0.278 146 K C 0.327 176.931 176.600 0.006 0.000 1.009 146 K CA 0.019 56.105 56.287 -0.335 0.000 0.995 146 K CB 0.559 32.840 32.500 -0.365 0.000 0.917 146 K HN 0.654 nan 8.250 nan 0.000 0.481 147 L N 2.862 124.018 121.223 -0.112 0.000 2.769 147 L HA 0.110 4.450 4.340 0.001 0.000 0.240 147 L C 0.260 176.984 176.870 -0.243 0.000 1.163 147 L CA -0.237 54.547 54.840 -0.093 0.000 0.962 147 L CB 0.285 42.265 42.059 -0.131 0.000 1.258 147 L HN 0.638 nan 8.230 nan 0.000 0.513 148 D N 1.836 122.195 120.400 -0.067 0.000 2.688 148 D HA 0.161 4.802 4.640 0.001 0.000 0.228 148 D C -0.367 175.976 176.300 0.072 0.000 1.116 148 D CA 0.044 54.008 54.000 -0.059 0.000 1.023 148 D CB -0.327 40.439 40.800 -0.056 0.000 1.100 148 D HN 0.166 nan 8.370 nan 0.000 0.487 149 F N -1.635 118.275 119.950 -0.066 0.000 2.817 149 F HA 0.606 5.134 4.527 0.001 0.000 0.317 149 F C -1.130 174.611 175.800 -0.099 0.000 1.168 149 F CA -1.095 56.859 58.000 -0.077 0.000 0.911 149 F CB 1.161 40.109 39.000 -0.087 0.000 1.337 149 F HN -0.203 nan 8.300 nan 0.000 0.464 150 T N 0.567 115.213 114.554 0.153 0.000 2.900 150 T HA 0.716 5.066 4.350 0.001 0.000 0.295 150 T C -0.336 174.330 174.700 -0.057 0.000 1.044 150 T CA 0.311 62.382 62.100 -0.049 0.000 0.995 150 T CB 1.239 70.073 68.868 -0.056 0.000 1.072 150 T HN 2.021 nan 8.240 nan 0.000 0.473 151 G N 1.596 110.053 108.800 -0.571 0.000 2.728 151 G HA2 -0.150 3.810 3.960 0.001 0.000 0.294 151 G HA3 -0.150 3.810 3.960 0.001 0.000 0.294 151 G C -0.890 173.541 174.900 -0.782 0.000 1.342 151 G CA -0.673 43.872 45.100 -0.924 0.000 0.866 151 G HN 0.795 nan 8.290 nan 0.000 0.534 152 W N 0.736 121.883 121.300 -0.256 0.000 2.210 152 W HA 0.619 5.279 4.660 0.001 0.000 0.330 152 W C 1.023 177.581 176.519 0.066 0.000 1.334 152 W CA -0.254 57.198 57.345 0.179 0.000 1.227 152 W CB 0.660 30.357 29.460 0.394 0.000 1.178 152 W HN 0.428 nan 8.180 nan 0.000 0.560 153 R N 1.952 122.654 120.500 0.335 0.000 2.807 153 R HA 0.722 5.062 4.340 0.001 0.000 0.276 153 R C -0.662 175.454 176.300 -0.308 0.000 0.979 153 R CA -1.274 54.735 56.100 -0.151 0.000 0.928 153 R CB 1.503 31.419 30.300 -0.640 0.000 1.191 153 R HN 0.508 nan 8.270 nan 0.000 0.471 154 A N 1.398 123.720 122.820 -0.830 0.000 2.312 154 A HA 0.701 5.021 4.320 0.001 0.000 0.328 154 A C -0.651 176.475 177.584 -0.762 0.000 1.158 154 A CA -0.558 50.723 52.037 -1.260 0.000 0.821 154 A CB 1.193 19.107 19.000 -1.809 0.000 1.170 154 A HN 0.328 nan 8.150 nan 0.000 0.490 155 V N 0.754 120.205 119.914 -0.772 0.000 2.656 155 V HA 0.818 4.938 4.120 0.001 0.000 0.307 155 V C 0.349 176.177 176.094 -0.442 0.000 1.051 155 V CA 0.145 62.134 62.300 -0.518 0.000 0.893 155 V CB 2.124 33.621 31.823 -0.542 0.000 0.999 155 V HN 1.403 nan 8.190 nan 0.000 0.426 156 G N 3.048 111.669 108.800 -0.299 0.000 2.684 156 G HA2 0.655 4.616 3.960 0.001 0.000 0.289 156 G HA3 0.655 4.616 3.960 0.001 0.000 0.289 156 G C -1.420 173.351 174.900 -0.215 0.000 1.416 156 G CA -0.340 44.607 45.100 -0.255 0.000 1.235 156 G HN 1.030 nan 8.290 nan 0.000 0.576 157 V N -0.595 119.194 119.914 -0.208 0.000 2.925 157 V HA 0.861 4.981 4.120 0.001 0.000 0.311 157 V C 0.265 176.283 176.094 -0.127 0.000 1.104 157 V CA -1.082 61.072 62.300 -0.243 0.000 0.954 157 V CB 1.535 33.030 31.823 -0.548 0.000 1.022 157 V HN 0.963 nan 8.190 nan 0.000 0.427 158 S N 2.702 118.334 115.700 -0.114 0.000 2.455 158 S HA 0.357 4.827 4.470 0.001 0.000 0.278 158 S C 0.962 175.486 174.600 -0.127 0.000 1.216 158 S CA -0.488 57.660 58.200 -0.087 0.000 1.055 158 S CB 0.012 63.168 63.200 -0.073 0.000 0.939 158 S HN 0.729 nan 8.310 nan 0.000 0.494 159 L N 4.542 125.687 121.223 -0.130 0.000 2.187 159 L HA -0.100 4.241 4.340 0.001 0.000 0.213 159 L C 1.877 178.631 176.870 -0.194 0.000 1.100 159 L CA 0.867 55.574 54.840 -0.222 0.000 0.765 159 L CB -0.374 41.556 42.059 -0.213 0.000 0.904 159 L HN 0.596 nan 8.230 nan 0.000 0.437 160 N N -0.378 118.233 118.700 -0.148 0.000 2.415 160 N HA -0.040 4.700 4.740 0.001 0.000 0.176 160 N C 1.036 176.491 175.510 -0.092 0.000 1.042 160 N CA 0.788 53.766 53.050 -0.121 0.000 0.902 160 N CB 0.093 38.512 38.487 -0.113 0.000 0.986 160 N HN 0.470 nan 8.380 nan 0.000 0.447 161 N N -0.805 117.842 118.700 -0.088 0.000 2.266 161 N HA 0.091 4.831 4.740 0.001 0.000 0.217 161 N C -0.249 175.226 175.510 -0.058 0.000 1.211 161 N CA -0.012 53.000 53.050 -0.064 0.000 0.881 161 N CB 0.904 39.357 38.487 -0.056 0.000 1.153 161 N HN -0.066 nan 8.380 nan 0.000 0.489 162 D N 0.561 120.913 120.400 -0.079 0.000 2.395 162 D HA 0.180 4.820 4.640 0.001 0.000 0.213 162 D C -0.236 176.038 176.300 -0.043 0.000 1.110 162 D CA 0.172 54.127 54.000 -0.075 0.000 0.835 162 D CB 0.806 41.529 40.800 -0.129 0.000 0.965 162 D HN 0.210 nan 8.370 nan 0.000 0.505 163 L N 0.817 122.024 121.223 -0.027 0.000 2.343 163 L HA 0.364 4.704 4.340 0.001 0.000 0.275 163 L C 0.499 177.402 176.870 0.054 0.000 1.056 163 L CA -0.747 54.121 54.840 0.047 0.000 0.804 163 L CB 1.516 43.584 42.059 0.015 0.000 1.203 163 L HN -0.319 nan 8.230 nan 0.000 0.440 164 E N 2.000 122.255 120.200 0.092 0.000 2.259 164 E HA 0.140 4.491 4.350 0.001 0.000 0.281 164 E C -0.298 176.329 176.600 0.045 0.000 1.027 164 E CA -0.296 56.138 56.400 0.057 0.000 0.838 164 E CB 0.954 30.688 29.700 0.058 0.000 1.066 164 E HN 0.414 nan 8.360 nan 0.000 0.401 193 D N 0.450 120.862 120.400 0.019 0.000 2.516 193 D HA 0.249 4.889 4.640 0.001 0.000 0.241 193 D C 0.003 176.301 176.300 -0.003 0.000 1.246 193 D CA 0.005 54.009 54.000 0.006 0.000 0.808 193 D CB 0.976 41.785 40.800 0.015 0.000 1.147 193 D HN 0.351 nan 8.370 nan 0.000 0.527 194 S N 0.165 115.850 115.700 -0.024 0.000 2.561 194 S HA 0.597 5.067 4.470 0.001 0.000 0.303 194 S C -0.892 173.599 174.600 -0.180 0.000 1.110 194 S CA -0.634 57.497 58.200 -0.115 0.000 1.034 194 S CB 1.218 64.367 63.200 -0.084 0.000 1.010 194 S HN 0.147 nan 8.310 nan 0.000 0.482 195 I N 2.936 123.335 120.570 -0.286 0.000 2.390 195 I HA 0.421 4.591 4.170 0.001 0.000 0.283 195 I C 0.211 176.075 176.117 -0.421 0.000 1.016 195 I CA -0.241 60.805 61.300 -0.423 0.000 1.151 195 I CB 1.041 38.868 38.000 -0.289 0.000 1.293 195 I HN 0.391 nan 8.210 nan 0.000 0.458 196 R N 5.771 125.982 120.500 -0.481 0.000 2.255 196 R HA 0.503 4.844 4.340 0.001 0.000 0.326 196 R C -1.465 174.575 176.300 -0.434 0.000 0.986 196 R CA -0.560 55.295 56.100 -0.408 0.000 0.847 196 R CB 0.663 30.774 30.300 -0.316 0.000 1.111 196 R HN 0.276 nan 8.270 nan 0.000 0.452 197 F N 4.161 123.582 119.950 -0.882 0.000 2.350 197 F HA 0.306 4.834 4.527 0.001 0.000 0.365 197 F C 0.470 175.989 175.800 -0.469 0.000 1.122 197 F CA -0.545 56.983 58.000 -0.787 0.000 1.139 197 F CB 1.119 39.329 39.000 -1.316 0.000 1.220 197 F HN 0.246 nan 8.300 nan 0.000 0.499 198 K N 3.375 123.720 120.400 -0.092 0.000 2.316 198 K HA 0.709 5.029 4.320 0.001 0.000 0.267 198 K C -0.151 176.467 176.600 0.030 0.000 1.025 198 K CA -0.545 55.750 56.287 0.013 0.000 0.896 198 K CB 0.884 33.344 32.500 -0.066 0.000 1.124 198 K HN 0.694 nan 8.250 nan 0.000 0.451 199 A N 5.532 128.363 122.820 0.017 0.000 2.507 199 A HA 0.197 4.517 4.320 0.001 0.000 0.235 199 A C -2.132 175.246 177.584 -0.344 0.000 1.070 199 A CA -0.881 50.835 52.037 -0.536 0.000 0.768 199 A CB -0.447 17.726 19.000 -1.379 0.000 1.011 199 A HN 0.608 nan 8.150 nan 0.000 0.502 200 P HA 0.028 nan 4.420 nan 0.000 0.264 200 P C 0.499 177.790 177.300 -0.015 0.000 1.183 200 P CA 0.303 63.345 63.100 -0.096 0.000 0.763 200 P CB 0.831 32.514 31.700 -0.029 0.000 0.807 201 S N 1.755 117.468 115.700 0.021 0.000 2.436 201 S HA -0.091 4.379 4.470 0.001 0.000 0.228 201 S C 1.228 175.864 174.600 0.060 0.000 1.014 201 S CA 1.114 59.338 58.200 0.040 0.000 0.950 201 S CB -0.744 62.471 63.200 0.026 0.000 0.784 201 S HN 0.713 nan 8.310 nan 0.000 0.504 202 N N 0.151 118.891 118.700 0.067 0.000 2.320 202 N HA 0.200 4.940 4.740 0.001 0.000 0.237 202 N C -0.707 174.852 175.510 0.082 0.000 1.129 202 N CA -0.263 52.827 53.050 0.067 0.000 0.854 202 N CB 0.611 39.133 38.487 0.058 0.000 1.083 202 N HN -0.009 nan 8.380 nan 0.000 0.504 203 V N 1.192 121.178 119.914 0.120 0.000 2.577 203 V HA 0.154 4.275 4.120 0.001 0.000 0.303 203 V C 1.210 177.402 176.094 0.164 0.000 1.042 203 V CA -0.692 61.697 62.300 0.148 0.000 0.872 203 V CB 1.631 33.595 31.823 0.236 0.000 0.998 203 V HN 0.412 nan 8.190 nan 0.000 0.423 204 S N 4.053 119.798 115.700 0.074 0.000 2.353 204 S HA -0.115 4.355 4.470 0.001 0.000 0.222 204 S C 0.532 175.134 174.600 0.003 0.000 1.035 204 S CA 1.413 59.633 58.200 0.034 0.000 1.025 204 S CB -0.110 63.084 63.200 -0.011 0.000 0.902 204 S HN 0.975 nan 8.310 nan 0.000 0.440 205 Q N -1.673 118.048 119.800 -0.131 0.000 2.737 205 Q HA 0.707 5.047 4.340 0.001 0.000 0.307 205 Q C -0.418 175.010 176.000 -0.952 0.000 0.905 205 Q CA -0.984 54.555 55.803 -0.439 0.000 0.753 205 Q CB 1.033 29.570 28.738 -0.337 0.000 1.463 205 Q HN 0.569 nan 8.270 nan 0.000 0.455 206 G N -0.246 107.603 108.800 -1.585 0.000 2.323 206 G HA2 0.407 4.367 3.960 0.001 0.000 0.291 206 G HA3 0.407 4.367 3.960 0.001 0.000 0.291 206 G C -1.995 171.907 174.900 -1.663 0.000 1.278 206 G CA -0.306 43.853 45.100 -1.568 0.000 0.860 206 G HN 0.740 nan 8.290 nan 0.000 0.504 207 E N -0.635 119.081 120.200 -0.807 0.000 2.415 207 E HA 0.526 4.876 4.350 0.001 0.000 0.302 207 E C -1.622 175.002 176.600 0.039 0.000 0.907 207 E CA -0.555 55.623 56.400 -0.370 0.000 0.798 207 E CB 1.505 31.028 29.700 -0.295 0.000 1.315 207 E HN 0.534 nan 8.360 nan 0.000 0.396 208 I N 3.793 124.470 120.570 0.179 0.000 2.545 208 I HA 0.376 4.547 4.170 0.001 0.000 0.292 208 I C -1.074 175.245 176.117 0.337 0.000 1.040 208 I CA -0.914 60.593 61.300 0.346 0.000 1.068 208 I CB 1.370 39.642 38.000 0.454 0.000 1.251 208 I HN 0.461 nan 8.210 nan 0.000 0.424 209 Y N 5.792 126.251 120.300 0.266 0.000 2.308 209 Y HA 0.627 5.178 4.550 0.001 0.000 0.329 209 Y C 0.001 176.176 175.900 0.458 0.000 1.111 209 Y CA -0.464 57.789 58.100 0.256 0.000 1.179 209 Y CB 1.112 39.627 38.460 0.093 0.000 1.201 209 Y HN 0.281 nan 8.280 nan 0.000 0.483 210 I N 2.881 123.819 120.570 0.614 0.000 2.582 210 I HA 0.324 4.494 4.170 0.001 0.000 0.292 210 I C -1.075 175.484 176.117 0.738 0.000 1.066 210 I CA -0.613 61.133 61.300 0.743 0.000 1.053 210 I CB 2.170 40.520 38.000 0.582 0.000 1.241 210 I HN 0.539 nan 8.210 nan 0.000 0.421 211 D N 3.823 124.722 120.400 0.831 0.000 2.570 211 D HA 0.390 5.030 4.640 0.001 0.000 0.244 211 D C -0.204 176.430 176.300 0.556 0.000 1.178 211 D CA -0.398 54.003 54.000 0.669 0.000 0.881 211 D CB 1.955 43.046 40.800 0.486 0.000 1.453 211 D HN 0.346 nan 8.370 nan 0.000 0.447 212 R N 1.610 122.338 120.500 0.379 0.000 3.251 212 R HA -0.138 4.203 4.340 0.001 0.000 0.249 212 R C -0.546 175.957 176.300 0.340 0.000 0.949 212 R CA 0.219 56.511 56.100 0.321 0.000 0.645 212 R CB -1.790 28.701 30.300 0.318 0.000 1.065 212 R HN 0.464 nan 8.270 nan 0.000 0.452 213 I N 1.369 122.139 120.570 0.335 0.000 2.662 213 I HA -0.009 4.161 4.170 0.001 0.000 0.285 213 I C 1.054 177.246 176.117 0.125 0.000 1.161 213 I CA 0.877 62.344 61.300 0.279 0.000 1.415 213 I CB 0.371 38.619 38.000 0.414 0.000 1.385 213 I HN 0.252 nan 8.210 nan 0.000 0.552 214 M N 7.244 126.745 119.600 -0.164 0.000 2.378 214 M HA 0.490 4.971 4.480 0.001 0.000 0.289 214 M C -1.871 174.174 176.300 -0.424 0.000 1.136 214 M CA -0.422 54.760 55.300 -0.197 0.000 0.917 214 M CB 2.226 34.743 32.600 -0.139 0.000 1.669 214 M HN 0.283 nan 8.290 nan 0.000 0.461 215 F N 2.647 122.611 119.950 0.023 0.000 2.444 215 F HA 0.731 5.259 4.527 0.001 0.000 0.342 215 F C 0.173 175.814 175.800 -0.264 0.000 1.121 215 F CA -0.397 57.546 58.000 -0.095 0.000 0.997 215 F CB 1.874 40.655 39.000 -0.366 0.000 1.130 215 F HN 0.584 nan 8.300 nan 0.000 0.454 216 S N 1.075 116.827 115.700 0.086 0.000 2.625 216 S HA 0.806 5.277 4.470 0.001 0.000 0.271 216 S C -1.625 173.147 174.600 0.286 0.000 1.161 216 S CA -0.936 57.304 58.200 0.067 0.000 0.820 216 S CB 1.517 64.680 63.200 -0.062 0.000 1.137 216 S HN 0.288 nan 8.310 nan 0.000 0.470 217 V N 1.965 121.952 119.914 0.122 0.000 2.394 217 V HA 0.638 4.759 4.120 0.001 0.000 0.282 217 V C -0.600 175.424 176.094 -0.118 0.000 1.031 217 V CA -0.158 62.177 62.300 0.058 0.000 0.881 217 V CB 1.230 33.061 31.823 0.012 0.000 0.982 217 V HN 0.964 nan 8.190 nan 0.000 0.451 218 D N 2.024 122.406 120.400 -0.030 0.000 2.547 218 D HA 0.221 4.861 4.640 0.001 0.000 0.231 218 D C -0.752 175.643 176.300 0.159 0.000 1.099 218 D CA -0.572 53.417 54.000 -0.018 0.000 0.901 218 D CB 2.128 42.934 40.800 0.009 0.000 1.478 218 D HN 0.541 nan 8.370 nan 0.000 0.471 219 D N 0.953 121.550 120.400 0.329 0.000 2.487 219 D HA 0.036 4.676 4.640 0.001 0.000 0.243 219 D C 0.483 176.829 176.300 0.076 0.000 1.154 219 D CA 0.104 54.316 54.000 0.353 0.000 0.876 219 D CB 1.169 42.226 40.800 0.428 0.000 1.161 219 D HN 0.403 nan 8.370 nan 0.000 0.478 220 A N 5.010 127.829 122.820 -0.002 0.000 2.209 220 A HA -0.098 4.223 4.320 0.001 0.000 0.212 220 A C 1.983 179.473 177.584 -0.157 0.000 1.158 220 A CA 0.622 52.623 52.037 -0.060 0.000 0.742 220 A CB -0.009 18.963 19.000 -0.047 0.000 0.790 220 A HN 0.633 nan 8.150 nan 0.000 0.472 221 R N -1.971 118.301 120.500 -0.378 0.000 2.240 221 R HA 0.056 4.396 4.340 0.001 0.000 0.203 221 R C -0.143 175.933 176.300 -0.373 0.000 1.011 221 R CA 0.772 56.534 56.100 -0.563 0.000 1.007 221 R CB -0.055 29.579 30.300 -1.109 0.000 0.911 221 R HN 0.703 nan 8.270 nan 0.000 0.468 222 Y N 0.118 120.397 120.300 -0.035 0.000 2.669 222 Y HA 0.249 4.800 4.550 0.001 0.000 0.302 222 Y C -0.466 175.252 175.900 -0.305 0.000 1.000 222 Y CA -0.886 57.056 58.100 -0.264 0.000 1.222 222 Y CB 0.839 39.141 38.460 -0.263 0.000 1.209 222 Y HN -0.166 nan 8.280 nan 0.000 0.571 223 Q N 0.679 120.484 119.800 0.008 0.000 2.425 223 Q HA 0.209 4.549 4.340 0.001 0.000 0.254 223 Q C -1.228 174.895 176.000 0.206 0.000 1.032 223 Q CA -0.261 55.546 55.803 0.006 0.000 0.798 223 Q CB 0.801 29.526 28.738 -0.021 0.000 1.210 223 Q HN 0.212 nan 8.270 nan 0.000 0.491 224 W N 0.989 122.288 121.300 -0.001 0.000 2.438 224 W HA 0.468 5.129 4.660 0.001 0.000 0.324 224 W C 0.244 176.754 176.519 -0.015 0.000 1.119 224 W CA -1.381 55.958 57.345 -0.010 0.000 1.221 224 W CB 1.083 30.534 29.460 -0.015 0.000 1.253 224 W HN 0.347 nan 8.180 nan 0.000 0.555 225 S N 2.105 117.929 115.700 0.207 0.000 2.593 225 S HA 0.325 4.795 4.470 0.001 0.000 0.269 225 S C -0.005 174.711 174.600 0.193 0.000 1.334 225 S CA -0.173 58.114 58.200 0.145 0.000 1.015 225 S CB 0.961 64.222 63.200 0.101 0.000 0.912 225 S HN 0.483 nan 8.310 nan 0.000 0.541 226 D N -1.040 119.471 120.400 0.184 0.000 3.309 226 D HA 0.146 4.786 4.640 0.001 0.000 0.335 226 D C -0.212 176.226 176.300 0.230 0.000 1.393 226 D CA -0.562 53.565 54.000 0.211 0.000 0.963 226 D CB -0.390 40.474 40.800 0.106 0.000 1.431 226 D HN 0.308 nan 8.370 nan 0.000 0.583 227 Y N -0.319 119.910 120.300 -0.117 0.000 2.561 227 Y HA 0.128 4.679 4.550 0.001 0.000 0.291 227 Y C 1.955 177.816 175.900 -0.065 0.000 1.141 227 Y CA 0.872 58.901 58.100 -0.119 0.000 1.303 227 Y CB -0.400 37.926 38.460 -0.225 0.000 1.015 227 Y HN 0.289 nan 8.280 nan 0.000 0.547 228 Q N -0.947 118.895 119.800 0.070 0.000 2.387 228 Q HA 0.182 4.523 4.340 0.001 0.000 0.212 228 Q C -0.021 176.062 176.000 0.139 0.000 0.925 228 Q CA 0.632 56.470 55.803 0.059 0.000 0.901 228 Q CB 0.576 29.270 28.738 -0.073 0.000 1.020 228 Q HN 0.035 nan 8.270 nan 0.000 0.545 229 V N 1.288 121.277 119.914 0.124 0.000 2.709 229 V HA 0.392 4.513 4.120 0.001 0.000 0.308 229 V C -0.750 175.430 176.094 0.142 0.000 1.062 229 V CA -1.153 61.251 62.300 0.174 0.000 0.901 229 V CB 2.168 34.079 31.823 0.147 0.000 1.003 229 V HN 0.001 nan 8.190 nan 0.000 0.425 230 K N 3.065 123.555 120.400 0.150 0.000 2.234 230 K HA 0.574 4.894 4.320 0.001 0.000 0.277 230 K C 0.115 176.757 176.600 0.070 0.000 1.038 230 K CA -0.303 56.048 56.287 0.107 0.000 0.888 230 K CB 1.857 34.416 32.500 0.099 0.000 1.091 230 K HN 0.942 nan 8.250 nan 0.000 0.467 231 T N -1.548 113.037 114.554 0.052 0.000 2.870 231 T HA 0.250 4.600 4.350 0.001 0.000 0.277 231 T C 1.154 175.868 174.700 0.024 0.000 1.000 231 T CA -0.964 61.151 62.100 0.024 0.000 0.982 231 T CB 1.178 70.062 68.868 0.026 0.000 1.249 231 T HN 0.648 nan 8.240 nan 0.000 0.589 232 R N 0.001 120.508 120.500 0.011 0.000 2.339 232 R HA 0.172 4.513 4.340 0.001 0.000 0.199 232 R C -0.187 176.118 176.300 0.008 0.000 1.018 232 R CA 0.369 56.472 56.100 0.004 0.000 1.036 232 R CB -0.835 29.460 30.300 -0.008 0.000 0.899 232 R HN 0.560 nan 8.270 nan 0.000 0.473 233 L N 0.327 121.571 121.223 0.034 0.000 2.386 233 L HA 0.440 4.781 4.340 0.001 0.000 0.271 233 L C -0.557 176.302 176.870 -0.019 0.000 0.993 233 L CA -0.828 54.030 54.840 0.030 0.000 0.819 233 L CB 2.301 44.447 42.059 0.146 0.000 1.294 233 L HN -0.081 nan 8.230 nan 0.000 0.414 234 S N 1.118 116.731 115.700 -0.146 0.000 2.572 234 S HA 0.400 4.870 4.470 0.001 0.000 0.274 234 S C -1.346 173.013 174.600 -0.400 0.000 1.150 234 S CA -0.679 57.390 58.200 -0.219 0.000 0.944 234 S CB 1.429 64.561 63.200 -0.112 0.000 1.071 234 S HN 0.509 nan 8.310 nan 0.000 0.479 235 E N 4.349 124.189 120.200 -0.600 0.000 2.055 235 E HA 0.329 4.680 4.350 0.001 0.000 0.274 235 E C -2.467 173.843 176.600 -0.484 0.000 0.949 235 E CA -2.154 53.849 56.400 -0.663 0.000 0.775 235 E CB 1.102 30.174 29.700 -1.048 0.000 1.097 235 E HN 0.390 nan 8.360 nan 0.000 0.404 236 P HA 0.021 nan 4.420 nan 0.000 0.269 236 P C -0.018 177.115 177.300 -0.278 0.000 1.209 236 P CA 0.084 63.044 63.100 -0.235 0.000 0.776 236 P CB 0.866 32.466 31.700 -0.165 0.000 0.876 237 E N 1.007 121.089 120.200 -0.196 0.000 2.392 237 E HA 0.139 4.490 4.350 0.001 0.000 0.259 237 E C 0.374 176.844 176.600 -0.217 0.000 1.108 237 E CA -0.568 55.707 56.400 -0.209 0.000 0.916 237 E CB 0.379 30.055 29.700 -0.040 0.000 0.989 237 E HN 0.380 nan 8.360 nan 0.000 0.432 238 I N 2.072 122.475 120.570 -0.278 0.000 2.775 238 I HA -0.178 3.992 4.170 0.001 0.000 0.290 238 I C 0.258 176.183 176.117 -0.319 0.000 1.203 238 I CA 1.135 62.230 61.300 -0.342 0.000 1.433 238 I CB 0.170 37.867 38.000 -0.504 0.000 1.354 238 I HN 0.325 nan 8.210 nan 0.000 0.579 239 Q N 6.492 126.142 119.800 -0.251 0.000 2.394 239 Q HA 0.373 4.713 4.340 0.001 0.000 0.261 239 Q C -1.171 174.808 176.000 -0.034 0.000 1.023 239 Q CA -0.408 55.322 55.803 -0.122 0.000 0.720 239 Q CB 1.334 30.053 28.738 -0.032 0.000 1.241 239 Q HN 0.432 nan 8.270 nan 0.000 0.483 240 F N 2.204 122.215 119.950 0.102 0.000 2.543 240 F HA -0.009 4.519 4.527 0.001 0.000 0.375 240 F C 1.352 177.233 175.800 0.135 0.000 1.075 240 F CA -0.083 57.994 58.000 0.127 0.000 1.225 240 F CB 0.354 39.434 39.000 0.133 0.000 1.099 240 F HN 0.491 nan 8.300 nan 0.000 0.561 241 H N 3.317 122.543 119.070 0.260 0.000 2.836 241 H HA 0.039 4.595 4.556 0.001 0.000 0.368 241 H C -0.636 174.782 175.328 0.150 0.000 1.164 241 H CA 0.125 56.270 56.048 0.161 0.000 1.425 241 H CB 0.837 30.676 29.762 0.128 0.000 1.414 241 H HN 0.611 nan 8.280 nan 0.000 0.614 242 N N 2.572 121.043 118.700 -0.381 0.000 2.425 242 N HA 0.162 4.902 4.740 0.001 0.000 0.289 242 N C -1.770 173.529 175.510 -0.353 0.000 1.074 242 N CA -0.534 52.384 53.050 -0.221 0.000 0.905 242 N CB 1.751 40.185 38.487 -0.088 0.000 1.586 242 N HN 0.214 nan 8.380 nan 0.000 0.490 243 V N 3.479 123.278 119.914 -0.192 0.000 2.607 243 V HA 0.474 4.594 4.120 0.001 0.000 0.289 243 V C 0.171 176.176 176.094 -0.150 0.000 1.053 243 V CA -0.409 61.771 62.300 -0.200 0.000 0.996 243 V CB 1.202 32.850 31.823 -0.293 0.000 0.995 243 V HN 0.495 nan 8.190 nan 0.000 0.476 244 K N 4.374 124.695 120.400 -0.132 0.000 2.156 244 K HA 0.602 4.922 4.320 0.001 0.000 0.250 244 K C -2.260 174.296 176.600 -0.074 0.000 0.955 244 K CA -1.614 54.624 56.287 -0.081 0.000 0.855 244 K CB 1.465 33.931 32.500 -0.057 0.000 1.101 244 K HN 0.556 nan 8.250 nan 0.000 0.434 245 P HA 0.206 nan 4.420 nan 0.000 0.276 245 P C -0.748 176.540 177.300 -0.020 0.000 1.244 245 P CA -0.517 62.567 63.100 -0.027 0.000 0.801 245 P CB 0.818 32.509 31.700 -0.015 0.000 1.006 246 Q N 0.376 120.169 119.800 -0.012 0.000 2.340 246 Q HA 0.290 4.631 4.340 0.001 0.000 0.249 246 Q C -0.082 175.922 176.000 0.006 0.000 0.957 246 Q CA -0.492 55.314 55.803 0.004 0.000 0.882 246 Q CB 0.625 29.368 28.738 0.007 0.000 1.235 246 Q HN 0.391 nan 8.270 nan 0.000 0.439 247 L N 4.470 125.703 121.223 0.018 0.000 2.380 247 L HA 0.267 4.607 4.340 0.001 0.000 0.273 247 L C -1.899 174.985 176.870 0.022 0.000 1.138 247 L CA -1.847 52.994 54.840 0.001 0.000 0.832 247 L CB 0.190 42.233 42.059 -0.027 0.000 1.124 247 L HN 0.390 nan 8.230 nan 0.000 0.454 248 P HA 0.086 nan 4.420 nan 0.000 0.278 248 P C -0.579 176.740 177.300 0.032 0.000 1.238 248 P CA -0.409 62.701 63.100 0.017 0.000 0.794 248 P CB 1.098 32.801 31.700 0.005 0.000 0.955 249 V N 3.283 123.216 119.914 0.032 0.000 2.425 249 V HA 0.157 4.278 4.120 0.001 0.000 0.276 249 V C 1.082 177.191 176.094 0.025 0.000 1.017 249 V CA 0.836 63.157 62.300 0.034 0.000 1.062 249 V CB -0.724 31.114 31.823 0.024 0.000 0.997 249 V HN 0.848 nan 8.190 nan 0.000 0.476 250 T N 3.024 117.596 114.554 0.030 0.000 2.883 250 T HA 0.511 4.861 4.350 0.001 0.000 0.296 250 T C -2.171 172.544 174.700 0.025 0.000 1.117 250 T CA -1.955 60.157 62.100 0.020 0.000 1.006 250 T CB 2.230 71.105 68.868 0.012 0.000 1.191 250 T HN 0.234 nan 8.240 nan 0.000 0.508 251 P HA -0.125 nan 4.420 nan 0.000 0.216 251 P C 1.473 178.789 177.300 0.026 0.000 1.153 251 P CA 1.058 64.169 63.100 0.019 0.000 0.858 251 P CB 0.166 31.873 31.700 0.012 0.000 0.789 252 E N -0.585 119.629 120.200 0.022 0.000 2.038 252 E HA -0.231 4.120 4.350 0.001 0.000 0.195 252 E C 1.666 178.300 176.600 0.056 0.000 1.000 252 E CA 1.322 57.738 56.400 0.026 0.000 0.803 252 E CB -0.336 29.368 29.700 0.007 0.000 0.750 252 E HN 0.137 nan 8.360 nan 0.000 0.448 253 N N 0.669 119.408 118.700 0.066 0.000 2.188 253 N HA -0.113 4.627 4.740 0.001 0.000 0.184 253 N C 2.064 177.683 175.510 0.183 0.000 1.018 253 N CA 0.658 53.795 53.050 0.145 0.000 0.858 253 N CB -0.349 38.209 38.487 0.118 0.000 0.989 253 N HN 0.228 nan 8.380 nan 0.000 0.426 254 L N 0.596 121.878 121.223 0.097 0.000 2.046 254 L HA -0.102 4.239 4.340 0.001 0.000 0.208 254 L C 2.321 179.218 176.870 0.045 0.000 1.077 254 L CA 1.072 55.947 54.840 0.059 0.000 0.747 254 L CB -0.483 41.594 42.059 0.031 0.000 0.896 254 L HN 0.130 nan 8.230 nan 0.000 0.432 255 A N -0.069 122.780 122.820 0.049 0.000 1.902 255 A HA -0.175 4.145 4.320 0.001 0.000 0.217 255 A C 2.501 180.113 177.584 0.048 0.000 1.181 255 A CA 1.712 53.771 52.037 0.036 0.000 0.623 255 A CB -0.606 18.413 19.000 0.031 0.000 0.818 255 A HN 0.423 nan 8.150 nan 0.000 0.443 256 A N -0.068 122.812 122.820 0.099 0.000 1.898 256 A HA -0.036 4.285 4.320 0.001 0.000 0.216 256 A C 2.019 179.643 177.584 0.068 0.000 1.181 256 A CA 1.489 53.611 52.037 0.141 0.000 0.620 256 A CB -0.467 18.709 19.000 0.293 0.000 0.819 256 A HN 0.400 nan 8.150 nan 0.000 0.442 257 I N 0.732 121.307 120.570 0.009 0.000 2.163 257 I HA -0.219 3.951 4.170 0.001 0.000 0.243 257 I C 1.652 177.708 176.117 -0.102 0.000 1.085 257 I CA 1.736 62.934 61.300 -0.171 0.000 1.347 257 I CB -1.384 36.501 38.000 -0.193 0.000 1.044 257 I HN 0.305 nan 8.210 nan 0.000 0.408 258 D N 0.388 120.761 120.400 -0.044 0.000 2.219 258 D HA -0.136 4.505 4.640 0.001 0.000 0.205 258 D C 2.130 178.418 176.300 -0.019 0.000 0.970 258 D CA 0.684 54.667 54.000 -0.029 0.000 0.851 258 D CB -0.138 40.656 40.800 -0.011 0.000 0.943 258 D HN 0.218 nan 8.370 nan 0.000 0.488 259 L N 0.528 121.743 121.223 -0.013 0.000 2.109 259 L HA 0.001 4.342 4.340 0.001 0.000 0.207 259 L C 1.989 178.846 176.870 -0.021 0.000 1.086 259 L CA 1.148 55.983 54.840 -0.009 0.000 0.760 259 L CB -0.323 41.736 42.059 -0.000 0.000 0.910 259 L HN -0.075 nan 8.230 nan 0.000 0.437 260 I N -0.576 119.969 120.570 -0.041 0.000 2.226 260 I HA -0.285 3.885 4.170 0.001 0.000 0.245 260 I C 2.743 178.837 176.117 -0.039 0.000 1.100 260 I CA 1.417 62.683 61.300 -0.056 0.000 1.374 260 I CB -0.374 37.559 38.000 -0.111 0.000 1.057 260 I HN 0.296 nan 8.210 nan 0.000 0.413 261 R N 0.722 121.196 120.500 -0.044 0.000 2.073 261 R HA -0.273 4.068 4.340 0.001 0.000 0.234 261 R C 2.393 178.709 176.300 0.026 0.000 1.134 261 R CA 1.956 58.048 56.100 -0.013 0.000 0.952 261 R CB -0.236 30.051 30.300 -0.022 0.000 0.850 261 R HN 0.217 nan 8.270 nan 0.000 0.433 262 Q N 0.730 120.542 119.800 0.019 0.000 2.096 262 Q HA -0.175 4.166 4.340 0.001 0.000 0.204 262 Q C 1.982 178.016 176.000 0.056 0.000 0.982 262 Q CA 1.997 57.822 55.803 0.037 0.000 0.850 262 Q CB -0.088 28.663 28.738 0.023 0.000 0.901 262 Q HN 0.328 nan 8.270 nan 0.000 0.422 263 R N -0.627 119.897 120.500 0.039 0.000 2.096 263 R HA -0.099 4.242 4.340 0.001 0.000 0.235 263 R C 2.394 178.751 176.300 0.095 0.000 1.127 263 R CA 1.432 57.564 56.100 0.053 0.000 0.968 263 R CB -0.391 29.904 30.300 -0.009 0.000 0.861 263 R HN 0.295 nan 8.270 nan 0.000 0.440 264 L N 0.354 121.640 121.223 0.106 0.000 2.027 264 L HA -0.192 4.148 4.340 0.001 0.000 0.206 264 L C 2.300 179.365 176.870 0.325 0.000 1.074 264 L CA 1.306 56.272 54.840 0.210 0.000 0.745 264 L CB -0.333 41.842 42.059 0.192 0.000 0.898 264 L HN 0.159 nan 8.230 nan 0.000 0.433 265 I N -0.000 120.707 120.570 0.228 0.000 2.113 265 I HA -0.415 3.756 4.170 0.001 0.000 0.242 265 I C 2.120 178.365 176.117 0.214 0.000 1.064 265 I CA 2.010 63.445 61.300 0.225 0.000 1.320 265 I CB -0.647 37.430 38.000 0.128 0.000 1.028 265 I HN 0.369 nan 8.210 nan 0.000 0.406 266 N N 0.223 119.013 118.700 0.150 0.000 2.037 266 N HA -0.243 4.498 4.740 0.001 0.000 0.196 266 N C 1.797 177.382 175.510 0.124 0.000 1.034 266 N CA 1.470 54.595 53.050 0.124 0.000 0.861 266 N CB -0.146 38.413 38.487 0.120 0.000 1.039 266 N HN 0.354 nan 8.380 nan 0.000 0.427 267 E N 0.586 120.849 120.200 0.105 0.000 2.085 267 E HA -0.141 4.210 4.350 0.001 0.000 0.194 267 E C 1.687 178.216 176.600 -0.118 0.000 0.994 267 E CA 1.121 57.503 56.400 -0.029 0.000 0.801 267 E CB -0.395 29.191 29.700 -0.191 0.000 0.743 267 E HN 0.463 nan 8.360 nan 0.000 0.453 268 F N 0.102 120.142 119.950 0.149 0.000 2.710 268 F HA -0.072 4.456 4.527 0.001 0.000 0.298 268 F C 2.132 178.065 175.800 0.222 0.000 1.137 268 F CA 0.427 58.558 58.000 0.219 0.000 1.444 268 F CB 0.269 39.466 39.000 0.328 0.000 1.111 268 F HN -0.071 nan 8.300 nan 0.000 0.580 269 V N -4.032 116.032 119.914 0.250 0.000 3.635 269 V HA 0.444 4.565 4.120 0.001 0.000 0.266 269 V C 1.383 177.525 176.094 0.079 0.000 1.316 269 V CA 0.763 63.145 62.300 0.137 0.000 1.060 269 V CB -0.084 31.787 31.823 0.080 0.000 0.820 269 V HN 0.061 nan 8.190 nan 0.000 0.447 270 G N -0.095 108.748 108.800 0.072 0.000 4.084 270 G HA2 0.554 4.514 3.960 0.001 0.000 0.293 270 G HA3 0.554 4.514 3.960 0.001 0.000 0.293 270 G C 0.823 175.736 174.900 0.021 0.000 1.303 270 G CA 0.535 45.658 45.100 0.040 0.000 1.289 270 G HN 1.253 nan 8.290 nan 0.000 0.609 271 G N 1.302 110.116 108.800 0.023 0.000 2.650 271 G HA2 -0.242 3.718 3.960 0.001 0.000 0.264 271 G HA3 -0.242 3.718 3.960 0.001 0.000 0.264 271 G C 0.174 175.078 174.900 0.007 0.000 1.263 271 G CA -0.086 45.019 45.100 0.008 0.000 0.960 271 G HN 1.153 nan 8.290 nan 0.000 0.548 272 E N 1.289 121.484 120.200 -0.008 0.000 0.706 272 E HA -0.104 4.246 4.350 0.001 0.000 0.354 272 E C 0.116 176.713 176.600 -0.005 0.000 0.731 272 E CA 1.209 57.603 56.400 -0.009 0.000 1.332 272 E CB -0.395 29.318 29.700 0.022 0.000 0.404 272 E HN 0.628 nan 8.360 nan 0.000 0.359 273 K N 3.323 123.722 120.400 -0.002 0.000 2.419 273 K HA -0.014 4.306 4.320 0.001 0.000 0.282 273 K C 0.220 176.826 176.600 0.011 0.000 1.056 273 K CA 0.044 56.333 56.287 0.003 0.000 1.035 273 K CB 0.443 32.949 32.500 0.008 0.000 0.921 273 K HN 0.364 nan 8.250 nan 0.000 0.472 274 E N 2.195 122.386 120.200 -0.015 0.000 2.338 274 E HA 0.011 4.362 4.350 0.001 0.000 0.272 274 E C -0.013 176.619 176.600 0.053 0.000 1.029 274 E CA -0.102 56.304 56.400 0.010 0.000 0.872 274 E CB 1.051 30.701 29.700 -0.083 0.000 1.015 274 E HN 0.560 nan 8.360 nan 0.000 0.417 275 T N 1.172 115.796 114.554 0.117 0.000 2.919 275 T HA 0.090 4.440 4.350 0.001 0.000 0.302 275 T C 0.572 175.396 174.700 0.207 0.000 1.031 275 T CA -0.665 61.515 62.100 0.134 0.000 1.127 275 T CB 0.320 69.267 68.868 0.132 0.000 0.952 275 T HN 0.495 nan 8.240 nan 0.000 0.540 276 N N -0.214 118.598 118.700 0.187 0.000 2.776 276 N HA -0.152 4.589 4.740 0.001 0.000 0.250 276 N C -0.794 174.955 175.510 0.398 0.000 1.112 276 N CA 0.402 53.611 53.050 0.266 0.000 0.733 276 N CB -1.440 37.207 38.487 0.267 0.000 1.097 276 N HN 0.796 nan 8.380 nan 0.000 0.558 277 L N 0.402 121.713 121.223 0.147 0.000 2.372 277 L HA 0.586 4.926 4.340 0.001 0.000 0.274 277 L C 0.039 176.865 176.870 -0.073 0.000 0.988 277 L CA -0.538 54.203 54.840 -0.165 0.000 0.833 277 L CB 1.339 42.983 42.059 -0.691 0.000 1.236 277 L HN 0.143 nan 8.230 nan 0.000 0.410 278 A N 5.545 128.361 122.820 -0.008 0.000 2.805 278 A HA 0.292 4.612 4.320 0.001 0.000 0.301 278 A C -0.367 177.228 177.584 0.018 0.000 1.557 278 A CA -0.424 51.631 52.037 0.029 0.000 1.254 278 A CB -0.319 18.721 19.000 0.067 0.000 1.114 278 A HN 0.599 nan 8.150 nan 0.000 0.553 279 L N 1.559 122.787 121.223 0.009 0.000 2.455 279 L HA 0.405 4.745 4.340 0.001 0.000 0.272 279 L C 0.119 177.014 176.870 0.041 0.000 1.174 279 L CA 0.629 55.493 54.840 0.040 0.000 0.869 279 L CB 0.599 42.680 42.059 0.036 0.000 1.130 279 L HN 0.631 nan 8.230 nan 0.000 0.474 280 E N 3.105 123.332 120.200 0.046 0.000 2.255 280 E HA 0.285 4.636 4.350 0.001 0.000 0.256 280 E C -0.377 176.230 176.600 0.010 0.000 0.887 280 E CA -0.019 56.397 56.400 0.027 0.000 0.782 280 E CB 1.083 30.799 29.700 0.028 0.000 1.214 280 E HN 0.718 nan 8.360 nan 0.000 0.417 281 E N 2.654 122.857 120.200 0.005 0.000 2.460 281 E HA 0.075 4.425 4.350 0.001 0.000 0.200 281 E C 0.041 176.634 176.600 -0.011 0.000 1.011 281 E CA -0.161 56.234 56.400 -0.008 0.000 0.912 281 E CB 0.391 30.088 29.700 -0.005 0.000 0.953 281 E HN 0.365 nan 8.360 nan 0.000 0.494 282 N N 2.239 120.937 118.700 -0.004 0.000 2.405 282 N HA 0.005 4.746 4.740 0.001 0.000 0.260 282 N C 1.053 176.558 175.510 -0.007 0.000 1.152 282 N CA -0.065 52.983 53.050 -0.005 0.000 0.948 282 N CB 0.649 39.137 38.487 0.001 0.000 1.111 282 N HN 0.033 nan 8.380 nan 0.000 0.485 283 I N 2.258 122.820 120.570 -0.013 0.000 2.286 283 I HA -0.261 3.909 4.170 0.001 0.000 0.248 283 I C 2.457 178.568 176.117 -0.010 0.000 1.115 283 I CA 0.917 62.206 61.300 -0.018 0.000 1.392 283 I CB -1.235 36.751 38.000 -0.024 0.000 1.065 283 I HN 0.553 nan 8.210 nan 0.000 0.418 284 S N 1.420 117.118 115.700 -0.003 0.000 2.370 284 S HA -0.266 4.204 4.470 0.001 0.000 0.226 284 S C 2.133 176.741 174.600 0.013 0.000 1.033 284 S CA 1.798 60.001 58.200 0.005 0.000 1.011 284 S CB -0.172 63.031 63.200 0.005 0.000 0.852 284 S HN 0.243 nan 8.310 nan 0.000 0.457 285 K N 1.290 121.698 120.400 0.012 0.000 2.063 285 K HA 0.069 4.389 4.320 0.001 0.000 0.208 285 K C 2.036 178.651 176.600 0.025 0.000 1.048 285 K CA 1.698 57.995 56.287 0.018 0.000 0.928 285 K CB -0.903 31.606 32.500 0.015 0.000 0.713 285 K HN 0.561 nan 8.250 nan 0.000 0.442 286 L N 0.090 121.323 121.223 0.017 0.000 2.056 286 L HA -0.145 4.196 4.340 0.001 0.000 0.207 286 L C 2.376 179.275 176.870 0.048 0.000 1.078 286 L CA 1.421 56.274 54.840 0.021 0.000 0.749 286 L CB -0.362 41.691 42.059 -0.010 0.000 0.901 286 L HN 0.135 nan 8.230 nan 0.000 0.433 287 K N -0.601 119.818 120.400 0.032 0.000 2.097 287 K HA -0.145 4.176 4.320 0.001 0.000 0.205 287 K C 2.466 179.145 176.600 0.133 0.000 1.050 287 K CA 1.399 57.726 56.287 0.066 0.000 0.938 287 K CB -0.117 32.400 32.500 0.028 0.000 0.718 287 K HN 0.111 nan 8.250 nan 0.000 0.442 288 S N 1.252 117.000 115.700 0.079 0.000 2.343 288 S HA -0.169 4.301 4.470 0.001 0.000 0.219 288 S C 1.394 176.032 174.600 0.063 0.000 1.033 288 S CA 1.720 59.958 58.200 0.063 0.000 1.014 288 S CB -0.275 62.948 63.200 0.038 0.000 0.915 288 S HN 0.201 nan 8.310 nan 0.000 0.435 289 D N 0.466 120.902 120.400 0.060 0.000 2.149 289 D HA -0.091 4.549 4.640 0.001 0.000 0.198 289 D C 1.570 177.898 176.300 0.047 0.000 0.990 289 D CA 1.043 55.068 54.000 0.041 0.000 0.839 289 D CB -0.557 40.264 40.800 0.035 0.000 0.948 289 D HN 0.557 nan 8.370 nan 0.000 0.460 290 F N 1.678 121.593 119.950 -0.058 0.000 2.134 290 F HA -0.170 4.357 4.527 0.001 0.000 0.299 290 F C 1.745 177.504 175.800 -0.067 0.000 1.097 290 F CA 1.291 59.242 58.000 -0.081 0.000 1.264 290 F CB 0.058 39.010 39.000 -0.080 0.000 1.001 290 F HN -0.230 nan 8.300 nan 0.000 0.479 291 D N 0.856 121.272 120.400 0.026 0.000 2.117 291 D HA -0.165 4.476 4.640 0.001 0.000 0.197 291 D C 2.350 178.541 176.300 -0.181 0.000 0.987 291 D CA 1.477 55.421 54.000 -0.093 0.000 0.829 291 D CB -0.619 40.221 40.800 0.068 0.000 0.961 291 D HN 0.407 nan 8.370 nan 0.000 0.460 292 A N 0.522 123.276 122.820 -0.110 0.000 2.186 292 A HA -0.114 4.206 4.320 0.001 0.000 0.219 292 A C 2.247 179.738 177.584 -0.155 0.000 1.159 292 A CA 0.643 52.620 52.037 -0.100 0.000 0.680 292 A CB -0.683 18.285 19.000 -0.053 0.000 0.787 292 A HN 0.249 nan 8.150 nan 0.000 0.467 293 L N -0.995 120.075 121.223 -0.255 0.000 2.376 293 L HA -0.082 4.258 4.340 0.001 0.000 0.219 293 L C 0.189 176.847 176.870 -0.353 0.000 1.133 293 L CA 0.146 54.818 54.840 -0.280 0.000 0.816 293 L CB -0.638 41.219 42.059 -0.337 0.000 0.933 293 L HN 0.403 nan 8.230 nan 0.000 0.449 294 N N 0.936 119.408 118.700 -0.381 0.000 2.714 294 N HA -0.203 4.538 4.740 0.001 0.000 0.252 294 N C -0.325 174.743 175.510 -0.736 0.000 1.014 294 N CA 0.897 53.684 53.050 -0.439 0.000 0.735 294 N CB -1.560 36.776 38.487 -0.251 0.000 0.924 294 N HN 0.358 nan 8.380 nan 0.000 0.540 295 I N 1.373 121.497 120.570 -0.744 0.000 2.371 295 I HA 0.140 4.310 4.170 0.001 0.000 0.290 295 I C 0.419 176.185 176.117 -0.585 0.000 1.028 295 I CA -0.176 60.708 61.300 -0.694 0.000 1.345 295 I CB 0.706 38.358 38.000 -0.580 0.000 1.407 295 I HN 0.055 nan 8.210 nan 0.000 0.501 296 H N 3.516 122.521 119.070 -0.108 0.000 2.679 296 H HA 0.316 4.873 4.556 0.001 0.000 0.360 296 H C -0.395 174.932 175.328 -0.002 0.000 1.105 296 H CA -0.810 55.215 56.048 -0.037 0.000 1.196 296 H CB 1.638 31.383 29.762 -0.029 0.000 1.636 296 H HN 0.402 nan 8.280 nan 0.000 0.531 297 T N 3.225 117.862 114.554 0.138 0.000 2.930 297 T HA 0.238 4.588 4.350 0.001 0.000 0.306 297 T C 0.900 175.649 174.700 0.082 0.000 1.045 297 T CA -0.308 61.853 62.100 0.101 0.000 1.134 297 T CB 0.248 69.169 68.868 0.089 0.000 0.961 297 T HN 0.204 nan 8.240 nan 0.000 0.545 298 L N 2.315 123.572 121.223 0.057 0.000 2.322 298 L HA 0.458 4.798 4.340 0.001 0.000 0.279 298 L C 1.655 178.538 176.870 0.021 0.000 1.036 298 L CA -0.936 53.919 54.840 0.024 0.000 0.807 298 L CB 1.088 43.138 42.059 -0.016 0.000 1.226 298 L HN 0.781 nan 8.230 nan 0.000 0.433 299 A N 2.669 125.496 122.820 0.011 0.000 1.917 299 A HA -0.197 4.123 4.320 0.001 0.000 0.219 299 A C 1.321 178.913 177.584 0.013 0.000 1.182 299 A CA 2.075 54.119 52.037 0.012 0.000 0.633 299 A CB -0.579 18.424 19.000 0.005 0.000 0.819 299 A HN 0.910 nan 8.150 nan 0.000 0.448 300 N N -0.616 118.087 118.700 0.005 0.000 2.320 300 N HA 0.398 5.138 4.740 0.001 0.000 0.237 300 N C 0.414 175.935 175.510 0.018 0.000 1.129 300 N CA 0.612 53.666 53.050 0.008 0.000 0.854 300 N CB -0.285 38.202 38.487 0.000 0.000 1.083 300 N HN 0.968 nan 8.380 nan 0.000 0.504 301 G N -1.371 107.447 108.800 0.030 0.000 2.770 301 G HA2 0.477 4.437 3.960 0.001 0.000 0.686 301 G HA3 0.477 4.437 3.960 0.001 0.000 0.686 301 G C -0.087 174.853 174.900 0.066 0.000 1.180 301 G CA -0.073 45.061 45.100 0.056 0.000 0.767 301 G HN 1.104 nan 8.290 nan 0.000 0.646 302 G N -0.441 108.425 108.800 0.111 0.000 2.655 302 G HA2 0.530 4.490 3.960 0.001 0.000 0.680 302 G HA3 0.530 4.490 3.960 0.001 0.000 0.680 302 G C 0.217 175.186 174.900 0.116 0.000 1.302 302 G CA 0.637 45.822 45.100 0.143 0.000 0.872 302 G HN 2.969 nan 8.290 nan 0.000 0.540 303 T N -3.049 111.600 114.554 0.159 0.000 2.864 303 T HA 0.781 5.131 4.350 0.001 0.000 0.289 303 T C -0.607 174.186 174.700 0.156 0.000 1.082 303 T CA -0.205 61.997 62.100 0.169 0.000 1.009 303 T CB 2.418 71.455 68.868 0.282 0.000 1.234 303 T HN 1.528 nan 8.240 nan 0.000 0.526 304 Q N -0.508 119.355 119.800 0.105 0.000 2.347 304 Q HA 0.751 5.091 4.340 0.001 0.000 0.271 304 Q C -0.572 175.384 176.000 -0.073 0.000 1.064 304 Q CA -0.020 55.837 55.803 0.090 0.000 0.800 304 Q CB 1.609 30.393 28.738 0.077 0.000 1.304 304 Q HN 1.405 nan 8.270 nan 0.000 0.438 305 G N 1.978 110.750 108.800 -0.047 0.000 2.430 305 G HA2 0.362 4.322 3.960 0.001 0.000 0.300 305 G HA3 0.362 4.322 3.960 0.001 0.000 0.300 305 G C -1.444 173.419 174.900 -0.062 0.000 1.330 305 G CA -1.081 43.851 45.100 -0.281 0.000 0.813 305 G HN 0.566 nan 8.290 nan 0.000 0.487 306 R N -0.103 120.336 120.500 -0.103 0.000 2.570 306 R HA 0.241 4.582 4.340 0.001 0.000 0.277 306 R C 0.064 176.400 176.300 0.059 0.000 1.039 306 R CA -0.342 55.752 56.100 -0.011 0.000 1.065 306 R CB 0.271 30.543 30.300 -0.047 0.000 0.964 306 R HN 0.666 nan 8.270 nan 0.000 0.428 307 H N 2.675 121.643 119.070 -0.169 0.000 2.848 307 H HA 0.129 4.686 4.556 0.001 0.000 0.341 307 H C -0.626 174.437 175.328 -0.442 0.000 1.060 307 H CA 0.161 55.955 56.048 -0.424 0.000 1.444 307 H CB 0.466 29.775 29.762 -0.754 0.000 1.446 307 H HN 0.315 nan 8.280 nan 0.000 0.583 308 L N 6.862 127.528 121.223 -0.927 0.000 2.309 308 L HA 0.449 4.789 4.340 0.001 0.000 0.282 308 L C -0.278 176.121 176.870 -0.786 0.000 1.036 308 L CA -0.605 53.789 54.840 -0.744 0.000 0.806 308 L CB 1.276 42.904 42.059 -0.718 0.000 1.220 308 L HN 0.593 nan 8.230 nan 0.000 0.429 309 I N 1.571 121.853 120.570 -0.481 0.000 2.752 309 I HA 0.319 4.489 4.170 0.001 0.000 0.295 309 I C 0.090 176.155 176.117 -0.087 0.000 1.219 309 I CA -0.202 60.953 61.300 -0.243 0.000 1.030 309 I CB 2.669 40.502 38.000 -0.279 0.000 1.259 309 I HN 0.733 nan 8.210 nan 0.000 0.423 310 T N 1.406 115.983 114.554 0.038 0.000 2.882 310 T HA 0.146 4.497 4.350 0.001 0.000 0.287 310 T C 1.076 175.785 174.700 0.014 0.000 1.014 310 T CA 0.025 62.139 62.100 0.025 0.000 1.049 310 T CB 1.026 69.944 68.868 0.083 0.000 1.001 310 T HN 0.707 nan 8.240 nan 0.000 0.525 311 D N 0.980 121.380 120.400 -0.000 0.000 2.228 311 D HA -0.166 4.475 4.640 0.001 0.000 0.203 311 D C 1.383 177.678 176.300 -0.008 0.000 0.988 311 D CA 1.246 55.248 54.000 0.005 0.000 0.864 311 D CB -0.057 40.737 40.800 -0.009 0.000 0.928 311 D HN 0.478 nan 8.370 nan 0.000 0.469 312 K N 0.083 120.434 120.400 -0.082 0.000 2.242 312 K HA 0.083 4.403 4.320 0.001 0.000 0.200 312 K C 2.359 178.925 176.600 -0.057 0.000 1.050 312 K CA 0.277 56.462 56.287 -0.169 0.000 0.981 312 K CB -0.199 31.925 32.500 -0.627 0.000 0.795 312 K HN 0.318 nan 8.250 nan 0.000 0.477 313 Q N 1.024 120.812 119.800 -0.020 0.000 2.170 313 Q HA -0.096 4.244 4.340 0.001 0.000 0.203 313 Q C 2.105 178.238 176.000 0.222 0.000 0.976 313 Q CA 1.332 57.175 55.803 0.067 0.000 0.858 313 Q CB -0.442 28.354 28.738 0.097 0.000 0.907 313 Q HN 0.455 nan 8.270 nan 0.000 0.433 314 I N -2.086 118.645 120.570 0.269 0.000 2.423 314 I HA -0.249 3.922 4.170 0.001 0.000 0.254 314 I C 1.687 178.042 176.117 0.396 0.000 1.151 314 I CA 0.909 62.485 61.300 0.461 0.000 1.421 314 I CB -0.450 37.806 38.000 0.427 0.000 1.079 314 I HN 0.082 nan 8.210 nan 0.000 0.431 315 I N 1.657 122.369 120.570 0.238 0.000 2.248 315 I HA -0.294 3.877 4.170 0.001 0.000 0.248 315 I C 2.655 178.805 176.117 0.055 0.000 1.107 315 I CA 1.732 63.126 61.300 0.157 0.000 1.373 315 I CB -0.966 37.173 38.000 0.231 0.000 1.055 315 I HN 0.439 nan 8.210 nan 0.000 0.418 316 I N -0.129 120.490 120.570 0.081 0.000 2.315 316 I HA -0.372 3.799 4.170 0.001 0.000 0.251 316 I C 2.360 178.401 176.117 -0.128 0.000 1.125 316 I CA 1.574 62.843 61.300 -0.051 0.000 1.392 316 I CB -0.129 37.809 38.000 -0.102 0.000 1.065 316 I HN 0.119 nan 8.210 nan 0.000 0.424 317 Y N 0.793 121.090 120.300 -0.004 0.000 2.439 317 Y HA -0.057 4.493 4.550 0.001 0.000 0.292 317 Y C 0.870 176.654 175.900 -0.194 0.000 1.130 317 Y CA 0.272 58.328 58.100 -0.073 0.000 1.254 317 Y CB -0.062 38.339 38.460 -0.099 0.000 1.000 317 Y HN 0.186 nan 8.280 nan 0.000 0.554 318 Q N -1.206 118.544 119.800 -0.085 0.000 2.454 318 Q HA -0.199 4.142 4.340 0.001 0.000 0.341 318 Q C -2.087 173.796 176.000 -0.196 0.000 1.437 318 Q CA 0.625 56.303 55.803 -0.208 0.000 0.935 318 Q CB -1.369 27.190 28.738 -0.298 0.000 1.164 318 Q HN 0.337 nan 8.270 nan 0.000 0.373 319 P HA -0.209 nan 4.420 nan 0.000 0.216 319 P C 0.889 178.016 177.300 -0.288 0.000 1.154 319 P CA 1.643 64.454 63.100 -0.481 0.000 0.865 319 P CB 0.201 31.633 31.700 -0.447 0.000 0.789 320 E N -1.340 118.771 120.200 -0.148 0.000 2.409 320 E HA -0.075 4.275 4.350 0.001 0.000 0.198 320 E C 1.223 177.775 176.600 -0.080 0.000 1.024 320 E CA 0.643 56.994 56.400 -0.083 0.000 0.861 320 E CB -0.669 29.021 29.700 -0.017 0.000 0.788 320 E HN 0.313 nan 8.360 nan 0.000 0.521 321 N N -0.041 118.596 118.700 -0.106 0.000 2.187 321 N HA 0.112 4.852 4.740 0.001 0.000 0.212 321 N C -0.276 175.176 175.510 -0.098 0.000 1.152 321 N CA -0.031 52.967 53.050 -0.086 0.000 0.872 321 N CB 0.686 39.123 38.487 -0.083 0.000 1.025 321 N HN 0.163 nan 8.380 nan 0.000 0.514 322 L N 2.210 123.351 121.223 -0.136 0.000 2.461 322 L HA 0.028 4.369 4.340 0.001 0.000 0.272 322 L C 0.787 177.604 176.870 -0.088 0.000 1.197 322 L CA -0.471 54.294 54.840 -0.126 0.000 0.836 322 L CB 0.246 42.185 42.059 -0.200 0.000 1.105 322 L HN 0.206 nan 8.230 nan 0.000 0.477 323 N N 0.677 119.340 118.700 -0.061 0.000 2.453 323 N HA -0.017 4.723 4.740 0.001 0.000 0.253 323 N C 0.566 176.051 175.510 -0.042 0.000 1.252 323 N CA -0.060 52.965 53.050 -0.043 0.000 0.917 323 N CB 0.803 39.272 38.487 -0.029 0.000 1.117 323 N HN 0.482 nan 8.380 nan 0.000 0.442 324 S N 0.037 115.717 115.700 -0.033 0.000 2.383 324 S HA -0.283 4.187 4.470 0.001 0.000 0.229 324 S C 1.561 176.142 174.600 -0.032 0.000 1.030 324 S CA 1.410 59.590 58.200 -0.032 0.000 1.002 324 S CB -0.531 62.656 63.200 -0.022 0.000 0.829 324 S HN 0.830 nan 8.310 nan 0.000 0.467 325 Q N 1.052 120.842 119.800 -0.015 0.000 2.096 325 Q HA -0.213 4.128 4.340 0.001 0.000 0.204 325 Q C 1.133 177.103 176.000 -0.050 0.000 0.982 325 Q CA 1.889 57.687 55.803 -0.008 0.000 0.850 325 Q CB -0.158 28.605 28.738 0.043 0.000 0.901 325 Q HN 0.367 nan 8.270 nan 0.000 0.422 326 D N 0.088 120.469 120.400 -0.032 0.000 2.123 326 D HA -0.123 4.518 4.640 0.001 0.000 0.200 326 D C 1.739 177.972 176.300 -0.113 0.000 0.976 326 D CA 1.172 55.129 54.000 -0.072 0.000 0.831 326 D CB -0.174 40.627 40.800 0.000 0.000 0.974 326 D HN 0.122 nan 8.370 nan 0.000 0.469 327 K N 1.055 121.393 120.400 -0.103 0.000 2.103 327 K HA -0.152 4.168 4.320 0.001 0.000 0.207 327 K C 2.001 178.575 176.600 -0.043 0.000 1.048 327 K CA 1.227 57.457 56.287 -0.095 0.000 0.930 327 K CB -0.278 32.165 32.500 -0.096 0.000 0.716 327 K HN 0.081 nan 8.250 nan 0.000 0.444 328 Q N -0.325 119.434 119.800 -0.068 0.000 2.124 328 Q HA -0.076 4.265 4.340 0.001 0.000 0.202 328 Q C 1.830 177.758 176.000 -0.120 0.000 0.977 328 Q CA 1.479 57.238 55.803 -0.073 0.000 0.850 328 Q CB -0.011 28.689 28.738 -0.063 0.000 0.901 328 Q HN 0.344 nan 8.270 nan 0.000 0.429 329 L N -0.545 120.574 121.223 -0.173 0.000 2.313 329 L HA -0.059 4.282 4.340 0.001 0.000 0.214 329 L C 1.959 178.592 176.870 -0.396 0.000 1.119 329 L CA 0.355 55.043 54.840 -0.252 0.000 0.809 329 L CB -0.183 41.670 42.059 -0.343 0.000 0.933 329 L HN 0.275 nan 8.230 nan 0.000 0.449 330 F N 0.659 120.259 119.950 -0.584 0.000 2.416 330 F HA -0.053 4.475 4.527 0.001 0.000 0.296 330 F C 1.736 177.136 175.800 -0.667 0.000 1.099 330 F CA 0.871 58.308 58.000 -0.938 0.000 1.427 330 F CB 0.104 38.678 39.000 -0.709 0.000 1.079 330 F HN 0.033 nan 8.300 nan 0.000 0.536 331 D N 0.112 120.360 120.400 -0.253 0.000 2.371 331 D HA -0.100 4.540 4.640 0.001 0.000 0.221 331 D C 1.156 177.333 176.300 -0.205 0.000 0.986 331 D CA 0.629 54.513 54.000 -0.195 0.000 0.899 331 D CB -0.446 40.323 40.800 -0.052 0.000 0.902 331 D HN 0.278 nan 8.370 nan 0.000 0.530 332 N N -0.545 118.016 118.700 -0.231 0.000 2.268 332 N HA -0.023 4.717 4.740 0.001 0.000 0.204 332 N C -0.459 175.036 175.510 -0.026 0.000 1.124 332 N CA -0.092 52.887 53.050 -0.117 0.000 0.838 332 N CB 0.069 38.504 38.487 -0.086 0.000 0.994 332 N HN 0.183 nan 8.380 nan 0.000 0.489 333 Y N -0.470 119.654 120.300 -0.294 0.000 2.314 333 Y HA 0.231 4.782 4.550 0.001 0.000 0.334 333 Y C 0.329 176.069 175.900 -0.265 0.000 1.266 333 Y CA -0.967 56.944 58.100 -0.315 0.000 1.391 333 Y CB 0.991 39.142 38.460 -0.516 0.000 1.306 333 Y HN -0.289 nan 8.280 nan 0.000 0.558 334 V N 4.504 124.354 119.914 -0.106 0.000 2.435 334 V HA 0.156 4.277 4.120 0.001 0.000 0.290 334 V C 0.033 176.030 176.094 -0.162 0.000 1.030 334 V CA -0.879 61.355 62.300 -0.111 0.000 0.881 334 V CB 1.475 33.259 31.823 -0.065 0.000 0.983 334 V HN 0.466 nan 8.190 nan 0.000 0.445 335 I N 5.164 125.673 120.570 -0.102 0.000 2.452 335 I HA 0.048 4.218 4.170 0.001 0.000 0.287 335 I C 1.185 177.246 176.117 -0.093 0.000 1.079 335 I CA 0.102 61.346 61.300 -0.094 0.000 1.387 335 I CB 0.926 38.901 38.000 -0.043 0.000 1.404 335 I HN 0.621 nan 8.210 nan 0.000 0.522 336 L N 7.777 128.906 121.223 -0.156 0.000 2.043 336 L HA -0.141 4.200 4.340 0.001 0.000 0.212 336 L C 2.265 179.081 176.870 -0.089 0.000 1.075 336 L CA 2.253 56.964 54.840 -0.215 0.000 0.752 336 L CB -0.822 41.046 42.059 -0.318 0.000 0.891 336 L HN 0.781 nan 8.230 nan 0.000 0.432 337 G N -0.886 107.885 108.800 -0.047 0.000 2.469 337 G HA2 -0.343 3.617 3.960 0.001 0.000 0.219 337 G HA3 -0.343 3.617 3.960 0.001 0.000 0.219 337 G C 1.437 176.383 174.900 0.078 0.000 1.150 337 G CA 1.007 46.114 45.100 0.013 0.000 0.763 337 G HN 0.495 nan 8.290 nan 0.000 0.561 338 N N -0.418 118.324 118.700 0.069 0.000 2.142 338 N HA -0.092 4.649 4.740 0.001 0.000 0.186 338 N C 1.802 177.373 175.510 0.101 0.000 1.023 338 N CA 0.982 54.083 53.050 0.086 0.000 0.852 338 N CB -0.596 37.927 38.487 0.060 0.000 0.998 338 N HN 0.493 nan 8.380 nan 0.000 0.424 339 Y N 2.127 122.390 120.300 -0.062 0.000 2.097 339 Y HA -0.258 4.293 4.550 0.001 0.000 0.282 339 Y C 2.642 178.494 175.900 -0.080 0.000 1.152 339 Y CA 2.499 60.542 58.100 -0.095 0.000 1.136 339 Y CB -0.614 37.735 38.460 -0.185 0.000 0.975 339 Y HN 0.200 nan 8.280 nan 0.000 0.498 340 T N -3.949 110.674 114.554 0.116 0.000 2.915 340 T HA -0.130 4.221 4.350 0.001 0.000 0.269 340 T C 1.754 176.582 174.700 0.214 0.000 1.071 340 T CA 1.555 63.704 62.100 0.082 0.000 1.132 340 T CB -0.879 68.027 68.868 0.064 0.000 0.878 340 T HN 0.313 nan 8.240 nan 0.000 0.479 341 T N 2.117 116.808 114.554 0.228 0.000 2.746 341 T HA 0.037 4.387 4.350 0.001 0.000 0.267 341 T C 1.739 176.560 174.700 0.201 0.000 1.039 341 T CA 1.138 63.409 62.100 0.284 0.000 1.142 341 T CB -0.512 68.498 68.868 0.238 0.000 0.866 341 T HN 0.211 nan 8.240 nan 0.000 0.444 342 L N 1.106 122.378 121.223 0.082 0.000 2.012 342 L HA -0.015 4.326 4.340 0.001 0.000 0.210 342 L C 2.317 179.197 176.870 0.015 0.000 1.073 342 L CA 1.763 56.611 54.840 0.013 0.000 0.748 342 L CB -0.729 41.281 42.059 -0.083 0.000 0.891 342 L HN 0.283 nan 8.230 nan 0.000 0.431 343 M N -1.834 117.748 119.600 -0.030 0.000 2.082 343 M HA -0.280 4.200 4.480 0.001 0.000 0.258 343 M C 2.268 178.735 176.300 0.280 0.000 1.069 343 M CA 2.272 57.610 55.300 0.063 0.000 1.102 343 M CB -0.747 31.821 32.600 -0.052 0.000 1.336 343 M HN 0.359 nan 8.290 nan 0.000 0.404 344 F N 1.669 121.729 119.950 0.184 0.000 2.075 344 F HA -0.221 4.306 4.527 0.001 0.000 0.297 344 F C 2.166 178.013 175.800 0.077 0.000 1.113 344 F CA 1.678 59.772 58.000 0.158 0.000 1.218 344 F CB -0.567 38.513 39.000 0.132 0.000 0.984 344 F HN 0.142 nan 8.300 nan 0.000 0.472 345 N N 1.079 119.749 118.700 -0.050 0.000 2.137 345 N HA -0.218 4.523 4.740 0.001 0.000 0.190 345 N C 2.075 177.468 175.510 -0.195 0.000 1.017 345 N CA 1.982 54.934 53.050 -0.163 0.000 0.859 345 N CB -0.514 37.986 38.487 0.022 0.000 1.002 345 N HN 0.411 nan 8.380 nan 0.000 0.428 346 I N 0.929 121.443 120.570 -0.094 0.000 2.252 346 I HA -0.252 3.918 4.170 0.001 0.000 0.245 346 I C 2.385 178.445 176.117 -0.095 0.000 1.102 346 I CA 1.053 62.318 61.300 -0.059 0.000 1.385 346 I CB -0.283 37.721 38.000 0.006 0.000 1.064 346 I HN 0.173 nan 8.210 nan 0.000 0.414 347 S N 0.965 116.563 115.700 -0.170 0.000 2.382 347 S HA -0.261 4.209 4.470 0.001 0.000 0.228 347 S C 2.119 176.588 174.600 -0.219 0.000 1.027 347 S CA 1.184 59.231 58.200 -0.255 0.000 0.991 347 S CB -0.537 62.456 63.200 -0.346 0.000 0.823 347 S HN 0.426 nan 8.310 nan 0.000 0.469 348 R N 1.677 121.916 120.500 -0.434 0.000 2.075 348 R HA 0.048 4.388 4.340 0.001 0.000 0.232 348 R C 2.461 178.666 176.300 -0.157 0.000 1.126 348 R CA 1.266 57.158 56.100 -0.346 0.000 0.963 348 R CB -0.858 29.130 30.300 -0.520 0.000 0.858 348 R HN 0.480 nan 8.270 nan 0.000 0.435 349 A N 0.290 123.029 122.820 -0.135 0.000 1.877 349 A HA -0.230 4.090 4.320 0.001 0.000 0.216 349 A C 2.060 179.619 177.584 -0.041 0.000 1.186 349 A CA 1.440 53.434 52.037 -0.073 0.000 0.620 349 A CB -1.031 17.934 19.000 -0.059 0.000 0.822 349 A HN 0.655 nan 8.150 nan 0.000 0.443 350 Y N 0.701 120.920 120.300 -0.136 0.000 2.114 350 Y HA -0.239 4.312 4.550 0.001 0.000 0.282 350 Y C 2.281 178.120 175.900 -0.102 0.000 1.165 350 Y CA 2.230 60.259 58.100 -0.119 0.000 1.148 350 Y CB -0.451 37.923 38.460 -0.143 0.000 0.972 350 Y HN 0.059 nan 8.280 nan 0.000 0.504 351 V N 0.845 120.687 119.914 -0.120 0.000 2.332 351 V HA -0.325 3.796 4.120 0.001 0.000 0.248 351 V C 2.314 178.292 176.094 -0.193 0.000 1.055 351 V CA 2.157 64.346 62.300 -0.185 0.000 1.038 351 V CB -0.662 31.142 31.823 -0.032 0.000 0.651 351 V HN 0.490 nan 8.190 nan 0.000 0.450 352 L N -0.451 120.691 121.223 -0.135 0.000 2.492 352 L HA 0.081 4.422 4.340 0.001 0.000 0.223 352 L C 1.035 177.834 176.870 -0.118 0.000 1.132 352 L CA 0.062 54.840 54.840 -0.104 0.000 0.850 352 L CB -0.185 41.834 42.059 -0.067 0.000 0.966 352 L HN 0.251 nan 8.230 nan 0.000 0.454 353 E N 1.094 121.199 120.200 -0.158 0.000 2.299 353 E HA -0.003 4.347 4.350 0.001 0.000 0.272 353 E C 0.705 177.229 176.600 -0.127 0.000 1.043 353 E CA 0.417 56.739 56.400 -0.129 0.000 0.895 353 E CB 0.881 30.502 29.700 -0.132 0.000 1.011 353 E HN 0.057 nan 8.360 nan 0.000 0.432 354 K N 2.838 123.186 120.400 -0.086 0.000 2.137 354 K HA -0.037 4.284 4.320 0.001 0.000 0.202 354 K C -0.020 176.542 176.600 -0.063 0.000 1.052 354 K CA 0.725 56.969 56.287 -0.072 0.000 0.961 354 K CB 0.163 32.632 32.500 -0.052 0.000 0.741 354 K HN 0.509 nan 8.250 nan 0.000 0.452 355 D N 1.573 121.940 120.400 -0.056 0.000 2.338 355 D HA 0.020 4.661 4.640 0.001 0.000 0.255 355 D C -1.603 174.670 176.300 -0.044 0.000 1.237 355 D CA -2.023 51.952 54.000 -0.042 0.000 0.883 355 D CB 1.216 41.997 40.800 -0.033 0.000 1.087 355 D HN -0.102 nan 8.370 nan 0.000 0.485 356 P HA -0.178 nan 4.420 nan 0.000 0.216 356 P C 1.085 178.375 177.300 -0.016 0.000 1.150 356 P CA 1.147 64.228 63.100 -0.032 0.000 0.843 356 P CB 0.161 31.847 31.700 -0.023 0.000 0.787 357 T N -0.155 114.392 114.554 -0.013 0.000 2.737 357 T HA -0.124 4.227 4.350 0.001 0.000 0.265 357 T C 2.063 176.759 174.700 -0.006 0.000 1.038 357 T CA 1.066 63.162 62.100 -0.005 0.000 1.144 357 T CB -0.577 68.288 68.868 -0.006 0.000 0.866 357 T HN 0.198 nan 8.240 nan 0.000 0.434 358 Q N 0.704 120.495 119.800 -0.015 0.000 2.124 358 Q HA -0.094 4.246 4.340 0.001 0.000 0.202 358 Q C 2.410 178.405 176.000 -0.008 0.000 0.977 358 Q CA 1.115 56.907 55.803 -0.018 0.000 0.850 358 Q CB -0.184 28.538 28.738 -0.026 0.000 0.901 358 Q HN 0.473 nan 8.270 nan 0.000 0.429 359 K N 0.204 120.594 120.400 -0.017 0.000 2.097 359 K HA -0.127 4.193 4.320 0.001 0.000 0.206 359 K C 1.907 178.577 176.600 0.117 0.000 1.049 359 K CA 1.174 57.458 56.287 -0.004 0.000 0.933 359 K CB -0.041 32.387 32.500 -0.121 0.000 0.717 359 K HN 0.122 nan 8.250 nan 0.000 0.442 360 A N 0.929 123.790 122.820 0.070 0.000 1.968 360 A HA -0.138 4.183 4.320 0.001 0.000 0.217 360 A C 1.944 179.554 177.584 0.043 0.000 1.169 360 A CA 1.031 53.117 52.037 0.082 0.000 0.638 360 A CB -0.317 18.712 19.000 0.047 0.000 0.812 360 A HN 0.437 nan 8.150 nan 0.000 0.446 361 Q N -0.327 119.479 119.800 0.010 0.000 2.084 361 Q HA -0.111 4.229 4.340 0.001 0.000 0.202 361 Q C 2.040 177.994 176.000 -0.077 0.000 0.978 361 Q CA 1.429 57.208 55.803 -0.040 0.000 0.844 361 Q CB -0.349 28.358 28.738 -0.052 0.000 0.898 361 Q HN 0.667 nan 8.270 nan 0.000 0.426 362 L N 0.691 121.902 121.223 -0.019 0.000 2.046 362 L HA -0.220 4.120 4.340 0.001 0.000 0.208 362 L C 2.561 179.407 176.870 -0.041 0.000 1.077 362 L CA 1.261 56.089 54.840 -0.021 0.000 0.747 362 L CB -0.378 41.732 42.059 0.085 0.000 0.896 362 L HN 0.166 nan 8.230 nan 0.000 0.432 363 K N -0.209 120.188 120.400 -0.005 0.000 2.032 363 K HA -0.271 4.049 4.320 0.001 0.000 0.209 363 K C 2.310 178.866 176.600 -0.073 0.000 1.048 363 K CA 1.588 57.764 56.287 -0.185 0.000 0.927 363 K CB -0.173 32.250 32.500 -0.129 0.000 0.712 363 K HN 0.184 nan 8.250 nan 0.000 0.441 364 Q N 0.532 120.305 119.800 -0.046 0.000 2.096 364 Q HA -0.208 4.133 4.340 0.001 0.000 0.204 364 Q C 1.981 177.942 176.000 -0.065 0.000 0.982 364 Q CA 1.985 57.770 55.803 -0.029 0.000 0.850 364 Q CB -0.095 28.628 28.738 -0.024 0.000 0.901 364 Q HN 0.446 nan 8.270 nan 0.000 0.422 365 M N -0.841 118.625 119.600 -0.223 0.000 2.086 365 M HA -0.185 4.296 4.480 0.001 0.000 0.261 365 M C 2.096 178.332 176.300 -0.106 0.000 1.067 365 M CA 1.732 56.743 55.300 -0.481 0.000 1.116 365 M CB -0.553 31.474 32.600 -0.956 0.000 1.348 365 M HN 0.219 nan 8.290 nan 0.000 0.407 366 Y N 1.017 121.214 120.300 -0.173 0.000 2.128 366 Y HA -0.230 4.320 4.550 0.001 0.000 0.284 366 Y C 1.933 177.816 175.900 -0.028 0.000 1.154 366 Y CA 1.698 59.736 58.100 -0.102 0.000 1.149 366 Y CB -0.145 38.225 38.460 -0.151 0.000 0.976 366 Y HN 0.080 nan 8.280 nan 0.000 0.505 367 L N -0.910 120.394 121.223 0.135 0.000 2.093 367 L HA -0.197 4.143 4.340 0.001 0.000 0.208 367 L C 2.306 179.210 176.870 0.056 0.000 1.085 367 L CA 0.844 55.747 54.840 0.105 0.000 0.755 367 L CB -0.543 41.582 42.059 0.110 0.000 0.904 367 L HN 0.317 nan 8.230 nan 0.000 0.435 368 L N -0.565 120.708 121.223 0.084 0.000 2.109 368 L HA -0.160 4.180 4.340 0.001 0.000 0.207 368 L C 2.412 179.360 176.870 0.130 0.000 1.086 368 L CA 1.645 56.565 54.840 0.133 0.000 0.760 368 L CB -0.359 41.828 42.059 0.214 0.000 0.910 368 L HN 0.165 nan 8.230 nan 0.000 0.437 369 M N -1.407 118.238 119.600 0.076 0.000 2.149 369 M HA -0.222 4.258 4.480 0.001 0.000 0.261 369 M C 1.992 178.296 176.300 0.007 0.000 1.064 369 M CA 2.190 57.498 55.300 0.014 0.000 1.102 369 M CB -0.634 31.805 32.600 -0.267 0.000 1.369 369 M HN 0.267 nan 8.290 nan 0.000 0.408 370 T N 0.382 114.851 114.554 -0.141 0.000 2.746 370 T HA -0.137 4.213 4.350 0.001 0.000 0.267 370 T C 1.765 176.501 174.700 0.059 0.000 1.039 370 T CA 1.254 63.303 62.100 -0.086 0.000 1.142 370 T CB -0.128 68.702 68.868 -0.063 0.000 0.866 370 T HN 0.377 nan 8.240 nan 0.000 0.444 371 K N -0.188 120.272 120.400 0.101 0.000 2.057 371 K HA -0.113 4.207 4.320 0.001 0.000 0.206 371 K C 2.293 178.998 176.600 0.175 0.000 1.050 371 K CA 1.186 57.557 56.287 0.140 0.000 0.935 371 K CB -0.217 32.364 32.500 0.136 0.000 0.715 371 K HN 0.349 nan 8.250 nan 0.000 0.439 372 H N 1.141 120.261 119.070 0.084 0.000 2.319 372 H HA -0.134 4.423 4.556 0.001 0.000 0.299 372 H C 1.894 177.253 175.328 0.052 0.000 1.092 372 H CA 1.570 57.666 56.048 0.079 0.000 1.302 372 H CB -0.304 29.503 29.762 0.074 0.000 1.373 372 H HN 0.051 nan 8.280 nan 0.000 0.497 373 L N 0.256 121.442 121.223 -0.063 0.000 1.990 373 L HA -0.172 4.168 4.340 0.001 0.000 0.213 373 L C 2.253 179.137 176.870 0.023 0.000 1.072 373 L CA 1.801 56.510 54.840 -0.219 0.000 0.755 373 L CB -0.935 40.909 42.059 -0.359 0.000 0.889 373 L HN 0.411 nan 8.230 nan 0.000 0.432 374 L N -0.682 120.608 121.223 0.112 0.000 2.083 374 L HA -0.214 4.126 4.340 0.001 0.000 0.209 374 L C 2.309 179.290 176.870 0.185 0.000 1.083 374 L CA 1.636 56.598 54.840 0.202 0.000 0.752 374 L CB -0.802 41.377 42.059 0.200 0.000 0.899 374 L HN 0.359 nan 8.230 nan 0.000 0.433 375 D N -0.656 119.843 120.400 0.165 0.000 2.183 375 D HA -0.175 4.465 4.640 0.001 0.000 0.203 375 D C 2.176 178.680 176.300 0.340 0.000 0.969 375 D CA 0.717 54.853 54.000 0.227 0.000 0.842 375 D CB 0.101 41.057 40.800 0.259 0.000 0.957 375 D HN 0.146 nan 8.370 nan 0.000 0.484 376 Q N -0.516 119.409 119.800 0.208 0.000 2.515 376 Q HA -0.009 4.332 4.340 0.001 0.000 0.215 376 Q C 1.373 177.559 176.000 0.309 0.000 0.983 376 Q CA 1.207 57.133 55.803 0.206 0.000 0.905 376 Q CB 0.189 28.880 28.738 -0.078 0.000 0.961 376 Q HN 0.504 nan 8.270 nan 0.000 0.503 377 G N 0.071 109.035 108.800 0.272 0.000 2.159 377 G HA2 -0.236 3.725 3.960 0.001 0.000 0.227 377 G HA3 -0.236 3.725 3.960 0.001 0.000 0.227 377 G C -0.185 174.720 174.900 0.008 0.000 0.986 377 G CA -0.372 44.809 45.100 0.134 0.000 0.651 377 G HN 0.292 nan 8.290 nan 0.000 0.523 378 F N 1.592 121.643 119.950 0.168 0.000 2.652 378 F HA 0.505 5.033 4.527 0.001 0.000 0.352 378 F C 1.025 177.081 175.800 0.427 0.000 1.259 378 F CA 0.184 58.371 58.000 0.311 0.000 1.249 378 F CB 0.342 39.440 39.000 0.164 0.000 1.628 378 F HN 0.336 nan 8.300 nan 0.000 0.654 379 V N -1.323 118.791 119.914 0.333 0.000 3.181 379 V HA 0.491 4.612 4.120 0.001 0.000 0.308 379 V C -0.290 175.549 176.094 -0.425 0.000 1.214 379 V CA -1.861 60.465 62.300 0.043 0.000 1.053 379 V CB 1.643 33.448 31.823 -0.030 0.000 1.069 379 V HN 0.255 nan 8.190 nan 0.000 0.441 380 K N 0.773 120.881 120.400 -0.486 0.000 2.511 380 K HA 0.372 4.693 4.320 0.001 0.000 0.280 380 K C 1.127 176.828 176.600 -1.498 0.000 1.008 380 K CA 1.472 57.205 56.287 -0.925 0.000 1.050 380 K CB -0.070 32.177 32.500 -0.421 0.000 0.889 380 K HN 2.152 nan 8.250 nan 0.000 0.484 381 G N 2.006 108.966 108.800 -3.067 0.000 2.157 381 G HA2 -0.264 3.696 3.960 0.001 0.000 0.248 381 G HA3 -0.264 3.696 3.960 0.001 0.000 0.248 381 G C -0.072 173.814 174.900 -1.691 0.000 0.979 381 G CA 0.365 43.583 45.100 -3.136 0.000 0.650 381 G HN 0.684 nan 8.290 nan 0.000 0.529 382 S N -0.048 114.869 115.700 -1.306 0.000 2.601 382 S HA 0.729 5.199 4.470 0.001 0.000 0.312 382 S C 1.345 175.990 174.600 0.075 0.000 1.107 382 S CA 0.597 58.515 58.200 -0.471 0.000 1.129 382 S CB 0.942 63.913 63.200 -0.382 0.000 0.982 382 S HN 1.513 nan 8.310 nan 0.000 0.469 383 A N 4.429 127.359 122.820 0.183 0.000 2.067 383 A HA 0.219 4.539 4.320 0.001 0.000 0.219 383 A C 1.340 178.977 177.584 0.089 0.000 1.158 383 A CA 0.809 53.041 52.037 0.324 0.000 0.661 383 A CB -0.848 18.334 19.000 0.304 0.000 0.801 383 A HN 1.282 nan 8.150 nan 0.000 0.452 384 L N -2.393 118.745 121.223 -0.141 0.000 3.737 384 L HA -0.343 3.997 4.340 0.001 0.000 0.418 384 L C 1.056 177.743 176.870 -0.304 0.000 1.216 384 L CA 0.215 54.849 54.840 -0.343 0.000 0.915 384 L CB -2.261 39.564 42.059 -0.390 0.000 1.834 384 L HN 0.299 nan 8.230 nan 0.000 0.943 385 V N -4.721 115.045 119.914 -0.246 0.000 0.481 385 V HA -0.412 3.709 4.120 0.001 0.000 0.092 385 V C 0.618 176.533 176.094 -0.297 0.000 2.400 385 V CA 2.493 64.659 62.300 -0.224 0.000 3.646 385 V CB -1.140 30.528 31.823 -0.259 0.000 0.927 385 V HN 0.791 nan 8.190 nan 0.000 0.973 386 T N -1.054 113.268 114.554 -0.386 0.000 2.840 386 T HA 0.609 4.959 4.350 0.001 0.000 0.317 386 T C -0.182 174.239 174.700 -0.466 0.000 1.401 386 T CA 0.585 62.226 62.100 -0.766 0.000 1.028 386 T CB 2.072 70.325 68.868 -1.024 0.000 1.317 386 T HN 1.075 nan 8.240 nan 0.000 0.495 387 T N 0.160 114.442 114.554 -0.453 0.000 3.516 387 T HA 0.292 4.643 4.350 0.001 0.000 0.300 387 T C 0.252 174.968 174.700 0.028 0.000 0.995 387 T CA -0.382 61.656 62.100 -0.105 0.000 0.982 387 T CB -1.124 67.700 68.868 -0.074 0.000 1.199 387 T HN 0.882 nan 8.240 nan 0.000 0.481 388 H N 0.144 119.093 119.070 -0.203 0.000 2.836 388 H HA 0.341 4.898 4.556 0.001 0.000 0.368 388 H C 0.323 175.815 175.328 0.274 0.000 1.164 388 H CA 0.492 56.598 56.048 0.097 0.000 1.425 388 H CB -0.021 29.666 29.762 -0.125 0.000 1.414 388 H HN 0.390 nan 8.280 nan 0.000 0.614 389 H N -0.741 118.497 119.070 0.281 0.000 2.741 389 H HA -0.253 4.304 4.556 0.001 0.000 0.305 389 H C 0.784 176.343 175.328 0.384 0.000 1.169 389 H CA 0.895 57.151 56.048 0.346 0.000 1.144 389 H CB -1.558 28.326 29.762 0.204 0.000 1.397 389 H HN 0.846 nan 8.280 nan 0.000 0.409 390 W N 0.903 122.353 121.300 0.249 0.000 2.305 390 W HA -0.240 4.420 4.660 0.001 0.000 0.308 390 W C 1.998 178.702 176.519 0.308 0.000 1.226 390 W CA 1.634 59.110 57.345 0.218 0.000 1.253 390 W CB -0.516 29.010 29.460 0.110 0.000 1.146 390 W HN 0.491 nan 8.180 nan 0.000 0.507 391 G N -0.553 108.428 108.800 0.302 0.000 2.450 391 G HA2 -0.354 3.606 3.960 0.001 0.000 0.220 391 G HA3 -0.354 3.606 3.960 0.001 0.000 0.220 391 G C 1.070 175.743 174.900 -0.377 0.000 1.130 391 G CA 1.068 46.067 45.100 -0.168 0.000 0.760 391 G HN 0.385 nan 8.290 nan 0.000 0.557 392 Y N 1.226 121.474 120.300 -0.088 0.000 2.352 392 Y HA -0.018 4.532 4.550 0.001 0.000 0.292 392 Y C 3.025 178.830 175.900 -0.159 0.000 1.136 392 Y CA 1.357 59.398 58.100 -0.098 0.000 1.227 392 Y CB 0.196 38.660 38.460 0.006 0.000 0.991 392 Y HN 0.162 nan 8.280 nan 0.000 0.545 393 S N -1.600 114.035 115.700 -0.109 0.000 2.503 393 S HA -0.037 4.434 4.470 0.001 0.000 0.217 393 S C 1.679 176.045 174.600 -0.391 0.000 0.999 393 S CA 0.819 58.892 58.200 -0.212 0.000 0.914 393 S CB -0.011 63.084 63.200 -0.174 0.000 0.782 393 S HN 0.509 nan 8.310 nan 0.000 0.520 394 S N 1.034 116.386 115.700 -0.579 0.000 2.728 394 S HA 0.121 4.592 4.470 0.001 0.000 0.257 394 S C 1.549 176.055 174.600 -0.158 0.000 1.060 394 S CA -0.566 57.331 58.200 -0.505 0.000 1.126 394 S CB -0.111 62.328 63.200 -1.269 0.000 1.099 394 S HN 0.483 nan 8.310 nan 0.000 0.617 395 R N 0.976 121.234 120.500 -0.402 0.000 2.119 395 R HA -0.115 4.226 4.340 0.001 0.000 0.246 395 R C 1.302 177.356 176.300 -0.410 0.000 1.146 395 R CA 1.787 57.541 56.100 -0.578 0.000 0.962 395 R CB -1.015 28.593 30.300 -1.155 0.000 0.863 395 R HN 0.612 nan 8.270 nan 0.000 0.442 396 W N -0.701 120.614 121.300 0.025 0.000 2.905 396 W HA 0.059 4.719 4.660 0.001 0.000 0.251 396 W C 1.858 178.517 176.519 0.233 0.000 1.305 396 W CA -1.187 56.154 57.345 -0.008 0.000 1.465 396 W CB -0.235 29.177 29.460 -0.081 0.000 1.122 396 W HN 0.160 nan 8.180 nan 0.000 0.659 397 W N 0.578 121.986 121.300 0.180 0.000 2.354 397 W HA -0.225 4.436 4.660 0.001 0.000 0.315 397 W C 1.804 178.424 176.519 0.168 0.000 1.206 397 W CA 1.211 58.642 57.345 0.143 0.000 1.290 397 W CB -1.470 27.985 29.460 -0.009 0.000 1.152 397 W HN -0.001 nan 8.180 nan 0.000 0.489 398 Y N 0.489 120.841 120.300 0.086 0.000 2.069 398 Y HA -0.336 4.214 4.550 0.001 0.000 0.278 398 Y C 2.560 178.477 175.900 0.028 0.000 1.175 398 Y CA 2.215 60.294 58.100 -0.036 0.000 1.134 398 Y CB -1.242 37.199 38.460 -0.031 0.000 0.965 398 Y HN -0.142 nan 8.280 nan 0.000 0.498 399 I N -0.319 120.382 120.570 0.220 0.000 2.315 399 I HA -0.265 3.906 4.170 0.001 0.000 0.248 399 I C 2.580 178.809 176.117 0.187 0.000 1.117 399 I CA 1.871 63.186 61.300 0.026 0.000 1.404 399 I CB -1.774 36.019 38.000 -0.344 0.000 1.071 399 I HN 0.319 nan 8.210 nan 0.000 0.419 400 S N 0.794 116.733 115.700 0.399 0.000 2.399 400 S HA -0.199 4.271 4.470 0.001 0.000 0.231 400 S C 2.095 176.835 174.600 0.234 0.000 1.022 400 S CA 1.855 60.299 58.200 0.406 0.000 0.983 400 S CB -1.141 62.441 63.200 0.636 0.000 0.803 400 S HN 0.622 nan 8.310 nan 0.000 0.480 401 T N 0.553 115.261 114.554 0.256 0.000 2.915 401 T HA 0.106 4.456 4.350 0.001 0.000 0.269 401 T C 1.785 176.535 174.700 0.084 0.000 1.071 401 T CA 1.022 63.227 62.100 0.175 0.000 1.132 401 T CB -0.770 68.175 68.868 0.127 0.000 0.878 401 T HN 0.412 nan 8.240 nan 0.000 0.479 402 L N -0.192 121.077 121.223 0.077 0.000 2.017 402 L HA -0.007 4.333 4.340 0.001 0.000 0.208 402 L C 2.569 179.463 176.870 0.041 0.000 1.073 402 L CA 1.020 55.892 54.840 0.054 0.000 0.745 402 L CB -0.608 41.488 42.059 0.063 0.000 0.894 402 L HN 0.230 nan 8.230 nan 0.000 0.432 403 L N -1.213 120.031 121.223 0.035 0.000 2.141 403 L HA -0.117 4.223 4.340 0.001 0.000 0.209 403 L C 1.830 178.666 176.870 -0.057 0.000 1.094 403 L CA 1.423 56.267 54.840 0.007 0.000 0.763 403 L CB -0.345 41.705 42.059 -0.016 0.000 0.908 403 L HN 0.279 nan 8.230 nan 0.000 0.437 404 M N -2.027 117.482 119.600 -0.151 0.000 2.475 404 M HA 0.208 4.688 4.480 0.001 0.000 0.283 404 M C 1.995 178.244 176.300 -0.086 0.000 1.165 404 M CA 0.170 55.308 55.300 -0.271 0.000 0.976 404 M CB -0.523 31.658 32.600 -0.698 0.000 1.428 404 M HN 0.164 nan 8.290 nan 0.000 0.495 405 S N 1.588 117.279 115.700 -0.015 0.000 2.365 405 S HA -0.184 4.287 4.470 0.001 0.000 0.225 405 S C 1.395 176.007 174.600 0.021 0.000 1.039 405 S CA 1.969 60.181 58.200 0.020 0.000 1.033 405 S CB 0.106 63.317 63.200 0.018 0.000 0.887 405 S HN 0.441 nan 8.310 nan 0.000 0.447 406 D N 1.175 121.585 120.400 0.017 0.000 2.117 406 D HA 0.040 4.681 4.640 0.001 0.000 0.198 406 D C 2.334 178.647 176.300 0.022 0.000 0.982 406 D CA 1.249 55.265 54.000 0.026 0.000 0.828 406 D CB -0.743 40.082 40.800 0.042 0.000 0.967 406 D HN 0.509 nan 8.370 nan 0.000 0.464 407 A N 1.058 123.871 122.820 -0.011 0.000 1.908 407 A HA -0.162 4.158 4.320 0.001 0.000 0.218 407 A C 2.423 180.026 177.584 0.031 0.000 1.181 407 A CA 1.075 53.095 52.037 -0.029 0.000 0.627 407 A CB -0.862 18.038 19.000 -0.167 0.000 0.818 407 A HN 0.200 nan 8.150 nan 0.000 0.445 408 L N -1.143 120.116 121.223 0.060 0.000 2.046 408 L HA -0.207 4.133 4.340 0.001 0.000 0.208 408 L C 2.610 179.532 176.870 0.087 0.000 1.077 408 L CA 1.787 56.696 54.840 0.114 0.000 0.747 408 L CB -0.439 41.712 42.059 0.154 0.000 0.896 408 L HN 0.338 nan 8.230 nan 0.000 0.432 409 K N -0.080 120.358 120.400 0.062 0.000 1.991 409 K HA -0.192 4.129 4.320 0.001 0.000 0.212 409 K C 2.109 178.738 176.600 0.047 0.000 1.049 409 K CA 1.582 57.898 56.287 0.049 0.000 0.932 409 K CB -0.095 32.425 32.500 0.034 0.000 0.717 409 K HN 0.245 nan 8.250 nan 0.000 0.441 410 E N 0.035 120.260 120.200 0.043 0.000 2.118 410 E HA -0.181 4.170 4.350 0.001 0.000 0.195 410 E C 1.804 178.433 176.600 0.048 0.000 0.992 410 E CA 1.248 57.672 56.400 0.041 0.000 0.804 410 E CB -0.114 29.609 29.700 0.038 0.000 0.741 410 E HN 0.341 nan 8.360 nan 0.000 0.458 411 A N 1.373 124.228 122.820 0.058 0.000 2.235 411 A HA -0.079 4.241 4.320 0.001 0.000 0.208 411 A C 0.905 178.533 177.584 0.073 0.000 1.172 411 A CA 0.666 52.744 52.037 0.067 0.000 0.786 411 A CB -0.385 18.664 19.000 0.081 0.000 0.804 411 A HN 0.306 nan 8.150 nan 0.000 0.479 412 N N -2.671 116.071 118.700 0.069 0.000 2.747 412 N HA -0.148 4.592 4.740 0.001 0.000 0.249 412 N C 0.025 175.588 175.510 0.088 0.000 1.107 412 N CA 0.871 53.963 53.050 0.070 0.000 0.707 412 N CB -1.517 37.006 38.487 0.060 0.000 1.054 412 N HN 0.245 nan 8.380 nan 0.000 0.555 413 L N 0.267 121.554 121.223 0.107 0.000 2.664 413 L HA 0.280 4.621 4.340 0.001 0.000 0.233 413 L C 2.201 179.162 176.870 0.153 0.000 1.113 413 L CA 0.912 55.834 54.840 0.137 0.000 0.896 413 L CB -0.464 41.692 42.059 0.161 0.000 1.163 413 L HN 0.453 nan 8.230 nan 0.000 0.497 414 Q N -0.534 119.343 119.800 0.128 0.000 2.084 414 Q HA -0.181 4.159 4.340 0.001 0.000 0.202 414 Q C 1.631 177.725 176.000 0.157 0.000 0.978 414 Q CA 2.320 58.202 55.803 0.131 0.000 0.844 414 Q CB 0.159 28.947 28.738 0.083 0.000 0.898 414 Q HN 0.369 nan 8.270 nan 0.000 0.426 415 T N 0.606 115.240 114.554 0.134 0.000 2.777 415 T HA -0.208 4.142 4.350 0.001 0.000 0.266 415 T C 1.657 176.472 174.700 0.191 0.000 1.040 415 T CA 1.538 63.736 62.100 0.163 0.000 1.141 415 T CB -0.189 68.748 68.868 0.116 0.000 0.868 415 T HN 0.424 nan 8.240 nan 0.000 0.444 416 Q N 0.351 120.247 119.800 0.159 0.000 2.084 416 Q HA -0.093 4.247 4.340 0.001 0.000 0.202 416 Q C 2.280 178.389 176.000 0.181 0.000 0.978 416 Q CA 1.276 57.170 55.803 0.152 0.000 0.844 416 Q CB -0.158 28.667 28.738 0.146 0.000 0.898 416 Q HN 0.332 nan 8.270 nan 0.000 0.426 417 V N 0.214 120.256 119.914 0.213 0.000 2.358 417 V HA -0.252 3.868 4.120 0.001 0.000 0.246 417 V C 1.948 178.092 176.094 0.083 0.000 1.047 417 V CA 1.973 64.398 62.300 0.208 0.000 1.035 417 V CB -0.819 31.157 31.823 0.255 0.000 0.658 417 V HN 0.504 nan 8.190 nan 0.000 0.452 418 Y N 1.387 121.707 120.300 0.033 0.000 2.097 418 Y HA -0.294 4.256 4.550 0.001 0.000 0.282 418 Y C 2.434 178.366 175.900 0.052 0.000 1.152 418 Y CA 2.228 60.347 58.100 0.031 0.000 1.136 418 Y CB -0.219 38.276 38.460 0.058 0.000 0.975 418 Y HN 0.286 nan 8.280 nan 0.000 0.498 419 D N -0.699 119.707 120.400 0.010 0.000 2.117 419 D HA -0.193 4.447 4.640 0.001 0.000 0.197 419 D C 2.415 178.655 176.300 -0.100 0.000 0.987 419 D CA 1.516 55.478 54.000 -0.063 0.000 0.829 419 D CB -0.512 40.317 40.800 0.047 0.000 0.961 419 D HN 0.366 nan 8.370 nan 0.000 0.460 420 S N -0.338 115.344 115.700 -0.029 0.000 2.348 420 S HA -0.078 4.393 4.470 0.001 0.000 0.221 420 S C 2.136 176.738 174.600 0.003 0.000 1.033 420 S CA 0.657 58.877 58.200 0.033 0.000 1.010 420 S CB -0.358 63.020 63.200 0.297 0.000 0.891 420 S HN 0.174 nan 8.310 nan 0.000 0.442 421 L N 0.845 121.982 121.223 -0.142 0.000 2.083 421 L HA -0.090 4.251 4.340 0.001 0.000 0.209 421 L C 2.520 179.353 176.870 -0.061 0.000 1.083 421 L CA 0.983 55.701 54.840 -0.203 0.000 0.752 421 L CB -0.500 41.245 42.059 -0.524 0.000 0.899 421 L HN 0.370 nan 8.230 nan 0.000 0.433 422 L N -0.366 120.744 121.223 -0.187 0.000 2.017 422 L HA -0.269 4.071 4.340 0.001 0.000 0.208 422 L C 2.246 179.025 176.870 -0.152 0.000 1.073 422 L CA 1.851 56.594 54.840 -0.162 0.000 0.745 422 L CB -0.856 40.991 42.059 -0.354 0.000 0.894 422 L HN 0.409 nan 8.230 nan 0.000 0.432 423 W N -0.348 120.714 121.300 -0.396 0.000 2.333 423 W HA -0.305 4.355 4.660 0.001 0.000 0.316 423 W C 2.217 178.364 176.519 -0.620 0.000 1.215 423 W CA 2.051 59.072 57.345 -0.541 0.000 1.278 423 W CB -0.812 28.221 29.460 -0.712 0.000 1.154 423 W HN 0.267 nan 8.180 nan 0.000 0.486 424 Y N 1.479 121.463 120.300 -0.527 0.000 2.352 424 Y HA -0.186 4.365 4.550 0.001 0.000 0.292 424 Y C 2.895 178.276 175.900 -0.864 0.000 1.136 424 Y CA 1.580 59.093 58.100 -0.978 0.000 1.227 424 Y CB -0.808 36.695 38.460 -1.595 0.000 0.991 424 Y HN -0.174 nan 8.280 nan 0.000 0.545 425 S N 0.395 115.894 115.700 -0.335 0.000 2.500 425 S HA -0.178 4.293 4.470 0.001 0.000 0.239 425 S C 1.970 176.146 174.600 -0.707 0.000 0.989 425 S CA 0.937 58.882 58.200 -0.424 0.000 0.951 425 S CB -0.363 62.810 63.200 -0.045 0.000 0.759 425 S HN 0.546 nan 8.310 nan 0.000 0.523 426 R N 1.932 122.039 120.500 -0.655 0.000 2.200 426 R HA -0.094 4.246 4.340 0.001 0.000 0.234 426 R C 1.826 177.740 176.300 -0.644 0.000 1.127 426 R CA 1.585 57.318 56.100 -0.613 0.000 0.989 426 R CB -0.489 29.409 30.300 -0.669 0.000 0.869 426 R HN 0.482 nan 8.270 nan 0.000 0.459 427 E N 1.070 120.784 120.200 -0.811 0.000 2.171 427 E HA -0.177 4.173 4.350 0.001 0.000 0.197 427 E C 0.431 176.711 176.600 -0.534 0.000 0.997 427 E CA 1.251 57.219 56.400 -0.720 0.000 0.810 427 E CB -0.107 29.121 29.700 -0.787 0.000 0.738 427 E HN 0.632 nan 8.360 nan 0.000 0.467 428 F N 0.012 119.753 119.950 -0.349 0.000 2.660 428 F HA 0.244 4.771 4.527 0.001 0.000 0.297 428 F C 1.749 177.395 175.800 -0.257 0.000 1.132 428 F CA -0.497 57.293 58.000 -0.350 0.000 1.372 428 F CB 0.197 38.767 39.000 -0.716 0.000 1.003 428 F HN -0.108 nan 8.300 nan 0.000 0.524 429 K N 1.398 121.708 120.400 -0.150 0.000 2.113 429 K HA -0.241 4.079 4.320 0.001 0.000 0.208 429 K C 2.201 178.789 176.600 -0.021 0.000 1.047 429 K CA 1.976 58.197 56.287 -0.110 0.000 0.928 429 K CB -0.111 32.284 32.500 -0.175 0.000 0.716 429 K HN 0.371 nan 8.250 nan 0.000 0.446 430 S N -0.189 115.511 115.700 -0.000 0.000 2.399 430 S HA -0.152 4.318 4.470 0.001 0.000 0.231 430 S C 2.006 176.629 174.600 0.039 0.000 1.022 430 S CA 1.465 59.677 58.200 0.020 0.000 0.983 430 S CB -0.274 62.944 63.200 0.030 0.000 0.803 430 S HN 0.496 nan 8.310 nan 0.000 0.480 431 S N 0.480 116.227 115.700 0.079 0.000 2.460 431 S HA 0.240 4.710 4.470 0.001 0.000 0.226 431 S C 1.489 176.064 174.600 -0.040 0.000 1.057 431 S CA -0.052 58.150 58.200 0.003 0.000 0.948 431 S CB -0.850 62.333 63.200 -0.028 0.000 0.822 431 S HN 0.338 nan 8.310 nan 0.000 0.512 432 F N 3.120 122.943 119.950 -0.212 0.000 2.234 432 F HA 0.073 4.600 4.527 0.001 0.000 0.299 432 F C 1.912 177.731 175.800 0.032 0.000 1.087 432 F CA 0.440 58.280 58.000 -0.267 0.000 1.340 432 F CB -0.860 38.016 39.000 -0.206 0.000 1.031 432 F HN 0.164 nan 8.300 nan 0.000 0.500 433 D N -0.392 120.073 120.400 0.109 0.000 2.221 433 D HA -0.211 4.429 4.640 0.001 0.000 0.204 433 D C 1.521 177.919 176.300 0.162 0.000 0.982 433 D CA 1.188 55.255 54.000 0.113 0.000 0.857 433 D CB -0.235 40.582 40.800 0.028 0.000 0.934 433 D HN 0.245 nan 8.370 nan 0.000 0.475 434 M N -1.458 118.067 119.600 -0.125 0.000 2.921 434 M HA -0.248 4.233 4.480 0.001 0.000 0.206 434 M C 0.052 176.295 176.300 -0.095 0.000 0.574 434 M CA 0.385 55.452 55.300 -0.389 0.000 0.746 434 M CB -1.493 31.104 32.600 -0.005 0.000 2.693 434 M HN -0.028 nan 8.290 nan 0.000 0.439 435 K N 1.784 122.114 120.400 -0.116 0.000 2.276 435 K HA 0.504 4.824 4.320 0.001 0.000 0.285 435 K C -0.220 176.423 176.600 0.072 0.000 1.062 435 K CA -0.372 55.769 56.287 -0.244 0.000 0.918 435 K CB 1.093 33.435 32.500 -0.264 0.000 1.055 435 K HN 0.080 nan 8.250 nan 0.000 0.477 436 V N 4.348 124.318 119.914 0.093 0.000 2.521 436 V HA 0.062 4.182 4.120 0.001 0.000 0.286 436 V C 0.326 176.442 176.094 0.035 0.000 1.034 436 V CA 0.179 62.540 62.300 0.102 0.000 1.045 436 V CB 0.634 32.463 31.823 0.011 0.000 0.974 436 V HN 0.984 nan 8.190 nan 0.000 0.480 437 S N 3.871 119.596 115.700 0.042 0.000 2.732 437 S HA 0.733 5.203 4.470 0.001 0.000 0.293 437 S C 0.944 175.554 174.600 0.016 0.000 1.159 437 S CA -0.132 58.083 58.200 0.026 0.000 0.847 437 S CB 1.802 65.025 63.200 0.037 0.000 1.169 437 S HN 0.959 nan 8.310 nan 0.000 0.501 438 A N 0.413 123.245 122.820 0.021 0.000 2.032 438 A HA -0.057 4.263 4.320 0.001 0.000 0.221 438 A C 1.276 178.879 177.584 0.033 0.000 1.165 438 A CA 1.873 53.924 52.037 0.023 0.000 0.645 438 A CB -0.891 18.127 19.000 0.031 0.000 0.807 438 A HN 0.812 nan 8.150 nan 0.000 0.453 439 D N -0.835 119.589 120.400 0.039 0.000 2.349 439 D HA 0.109 4.749 4.640 0.001 0.000 0.214 439 D C 1.242 177.567 176.300 0.040 0.000 1.063 439 D CA 0.394 54.425 54.000 0.052 0.000 0.847 439 D CB 0.312 41.146 40.800 0.056 0.000 0.933 439 D HN 0.342 nan 8.370 nan 0.000 0.513 440 S N -0.095 115.611 115.700 0.010 0.000 2.522 440 S HA -0.026 4.444 4.470 0.001 0.000 0.227 440 S C 1.710 176.256 174.600 -0.090 0.000 0.986 440 S CA 0.247 58.411 58.200 -0.060 0.000 0.929 440 S CB 0.205 63.304 63.200 -0.168 0.000 0.769 440 S HN 0.083 nan 8.310 nan 0.000 0.529 441 S N 1.660 117.378 115.700 0.030 0.000 2.634 441 S HA 0.062 4.532 4.470 0.001 0.000 0.221 441 S C 0.205 174.963 174.600 0.264 0.000 0.952 441 S CA -0.371 57.929 58.200 0.166 0.000 0.930 441 S CB -0.284 62.974 63.200 0.097 0.000 0.780 441 S HN 0.458 nan 8.310 nan 0.000 0.498 442 D N 2.143 122.657 120.400 0.190 0.000 2.793 442 D HA -0.110 4.531 4.640 0.001 0.000 0.230 442 D C 0.892 177.408 176.300 0.359 0.000 1.139 442 D CA 0.370 54.496 54.000 0.211 0.000 0.838 442 D CB 0.194 41.079 40.800 0.141 0.000 1.149 442 D HN 0.237 nan 8.370 nan 0.000 0.526 443 L N 3.043 124.439 121.223 0.289 0.000 2.240 443 L HA -0.079 4.262 4.340 0.001 0.000 0.211 443 L C 1.874 178.916 176.870 0.287 0.000 1.106 443 L CA 0.680 55.714 54.840 0.323 0.000 0.793 443 L CB -0.207 41.965 42.059 0.189 0.000 0.927 443 L HN 0.422 nan 8.230 nan 0.000 0.446 444 D N -0.429 120.087 120.400 0.193 0.000 2.149 444 D HA -0.250 4.391 4.640 0.001 0.000 0.201 444 D C 2.078 178.465 176.300 0.144 0.000 0.972 444 D CA 0.815 54.912 54.000 0.160 0.000 0.835 444 D CB -0.014 40.854 40.800 0.112 0.000 0.966 444 D HN 0.272 nan 8.370 nan 0.000 0.476 445 Y N 0.034 120.351 120.300 0.027 0.000 2.102 445 Y HA -0.305 4.246 4.550 0.001 0.000 0.280 445 Y C 1.731 177.570 175.900 -0.102 0.000 1.178 445 Y CA 1.873 59.929 58.100 -0.074 0.000 1.146 445 Y CB -0.624 37.767 38.460 -0.114 0.000 0.968 445 Y HN -0.005 nan 8.280 nan 0.000 0.504 446 F N 0.599 120.635 119.950 0.143 0.000 2.126 446 F HA -0.248 4.279 4.527 0.001 0.000 0.299 446 F C 2.605 178.379 175.800 -0.043 0.000 1.096 446 F CA 2.064 60.081 58.000 0.029 0.000 1.255 446 F CB -0.902 38.188 39.000 0.151 0.000 0.997 446 F HN 0.239 nan 8.300 nan 0.000 0.479 447 N N -0.285 118.514 118.700 0.165 0.000 2.006 447 N HA -0.214 4.527 4.740 0.001 0.000 0.196 447 N C 1.724 177.209 175.510 -0.042 0.000 1.057 447 N CA 2.213 55.315 53.050 0.087 0.000 0.853 447 N CB -0.151 38.405 38.487 0.116 0.000 1.051 447 N HN 0.307 nan 8.380 nan 0.000 0.423 448 T N -2.215 112.258 114.554 -0.134 0.000 3.065 448 T HA 0.197 4.548 4.350 0.001 0.000 0.252 448 T C 1.576 176.024 174.700 -0.420 0.000 1.099 448 T CA 0.241 62.178 62.100 -0.272 0.000 1.063 448 T CB 0.295 68.977 68.868 -0.311 0.000 0.948 448 T HN 0.200 nan 8.240 nan 0.000 0.506 449 L N 0.511 121.458 121.223 -0.459 0.000 3.154 449 L HA 0.234 4.574 4.340 0.001 0.000 0.280 449 L C 2.550 179.085 176.870 -0.559 0.000 1.134 449 L CA 0.588 55.102 54.840 -0.544 0.000 1.037 449 L CB 0.151 41.902 42.059 -0.514 0.000 1.571 449 L HN 0.291 nan 8.230 nan 0.000 0.576 450 S N 0.473 115.741 115.700 -0.720 0.000 2.368 450 S HA -0.185 4.285 4.470 0.001 0.000 0.225 450 S C 1.973 176.486 174.600 -0.146 0.000 1.030 450 S CA 1.017 58.866 58.200 -0.584 0.000 0.999 450 S CB -0.187 62.727 63.200 -0.476 0.000 0.844 450 S HN 0.287 nan 8.310 nan 0.000 0.459 451 R N 1.030 121.466 120.500 -0.106 0.000 2.115 451 R HA 0.185 4.525 4.340 0.001 0.000 0.226 451 R C 2.592 178.832 176.300 -0.099 0.000 1.100 451 R CA 1.168 57.255 56.100 -0.022 0.000 0.980 451 R CB -0.420 29.968 30.300 0.145 0.000 0.875 451 R HN 0.422 nan 8.270 nan 0.000 0.445 452 Q N -0.988 118.691 119.800 -0.203 0.000 2.079 452 Q HA -0.144 4.196 4.340 0.001 0.000 0.200 452 Q C 1.766 177.642 176.000 -0.206 0.000 0.974 452 Q CA 1.718 57.329 55.803 -0.320 0.000 0.840 452 Q CB -0.325 27.973 28.738 -0.732 0.000 0.898 452 Q HN 0.573 nan 8.270 nan 0.000 0.430 453 H N -0.583 118.264 119.070 -0.372 0.000 2.290 453 H HA -0.159 4.397 4.556 0.001 0.000 0.298 453 H C 1.861 176.884 175.328 -0.509 0.000 1.087 453 H CA 1.128 56.788 56.048 -0.648 0.000 1.291 453 H CB 0.027 29.356 29.762 -0.720 0.000 1.369 453 H HN 0.237 nan 8.280 nan 0.000 0.492 454 L N 1.126 122.013 121.223 -0.560 0.000 2.012 454 L HA -0.155 4.185 4.340 0.001 0.000 0.210 454 L C 2.607 179.286 176.870 -0.320 0.000 1.073 454 L CA 2.011 56.400 54.840 -0.753 0.000 0.748 454 L CB -1.170 40.461 42.059 -0.714 0.000 0.891 454 L HN 0.408 nan 8.230 nan 0.000 0.431 455 A N -0.716 122.024 122.820 -0.133 0.000 1.908 455 A HA -0.240 4.081 4.320 0.001 0.000 0.218 455 A C 2.276 179.915 177.584 0.091 0.000 1.181 455 A CA 2.034 54.071 52.037 0.000 0.000 0.627 455 A CB -1.102 17.941 19.000 0.072 0.000 0.818 455 A HN 0.517 nan 8.150 nan 0.000 0.445 456 L N 0.019 121.365 121.223 0.206 0.000 1.989 456 L HA -0.177 4.163 4.340 0.001 0.000 0.211 456 L C 2.347 179.385 176.870 0.280 0.000 1.071 456 L CA 1.968 57.007 54.840 0.332 0.000 0.749 456 L CB -0.526 41.835 42.059 0.503 0.000 0.890 456 L HN 0.436 nan 8.230 nan 0.000 0.431 457 L N -1.098 120.178 121.223 0.089 0.000 2.042 457 L HA -0.259 4.082 4.340 0.001 0.000 0.210 457 L C 2.528 179.347 176.870 -0.086 0.000 1.076 457 L CA 1.404 56.222 54.840 -0.037 0.000 0.749 457 L CB -0.722 41.181 42.059 -0.260 0.000 0.893 457 L HN 0.328 nan 8.230 nan 0.000 0.432 458 L N -0.604 120.554 121.223 -0.109 0.000 2.362 458 L HA -0.167 4.174 4.340 0.001 0.000 0.219 458 L C 2.199 179.023 176.870 -0.076 0.000 1.134 458 L CA 0.331 55.098 54.840 -0.122 0.000 0.807 458 L CB -0.155 41.833 42.059 -0.119 0.000 0.927 458 L HN 0.259 nan 8.230 nan 0.000 0.447 459 L N -0.059 121.162 121.223 -0.004 0.000 2.558 459 L HA 0.076 4.416 4.340 0.001 0.000 0.225 459 L C 1.093 177.822 176.870 -0.236 0.000 1.128 459 L CA 0.329 55.174 54.840 0.008 0.000 0.868 459 L CB -0.175 41.991 42.059 0.178 0.000 1.006 459 L HN 0.091 nan 8.230 nan 0.000 0.454 460 E N 0.561 120.480 120.200 -0.469 0.000 2.480 460 E HA -0.031 4.320 4.350 0.001 0.000 0.258 460 E C -1.786 174.538 176.600 -0.459 0.000 0.984 460 E CA -1.095 54.755 56.400 -0.917 0.000 0.930 460 E CB 0.789 30.160 29.700 -0.547 0.000 0.936 460 E HN 0.134 nan 8.360 nan 0.000 0.466 461 P HA -0.053 nan 4.420 nan 0.000 0.216 461 P C -0.365 176.859 177.300 -0.126 0.000 1.153 461 P CA 1.005 63.993 63.100 -0.186 0.000 0.844 461 P CB 0.117 31.745 31.700 -0.121 0.000 0.787 462 D N -0.674 119.652 120.400 -0.122 0.000 2.351 462 D HA -0.010 4.630 4.640 0.001 0.000 0.251 462 D C 0.917 177.177 176.300 -0.067 0.000 1.137 462 D CA -0.008 53.950 54.000 -0.069 0.000 0.879 462 D CB 0.336 41.110 40.800 -0.042 0.000 1.181 462 D HN -0.145 nan 8.370 nan 0.000 0.448 463 D N 2.216 122.591 120.400 -0.042 0.000 2.097 463 D HA -0.175 4.465 4.640 0.001 0.000 0.195 463 D C 1.536 177.824 176.300 -0.019 0.000 0.989 463 D CA 1.014 54.994 54.000 -0.032 0.000 0.827 463 D CB -0.061 40.731 40.800 -0.013 0.000 0.966 463 D HN 0.493 nan 8.370 nan 0.000 0.456 464 Q N 1.240 121.035 119.800 -0.008 0.000 2.050 464 Q HA -0.105 4.236 4.340 0.001 0.000 0.202 464 Q C 1.852 177.851 176.000 -0.001 0.000 0.980 464 Q CA 1.545 57.352 55.803 0.006 0.000 0.840 464 Q CB 0.015 28.759 28.738 0.010 0.000 0.898 464 Q HN 0.131 nan 8.270 nan 0.000 0.424 465 K N -0.227 120.163 120.400 -0.018 0.000 2.057 465 K HA -0.165 4.155 4.320 0.001 0.000 0.207 465 K C 2.268 178.827 176.600 -0.069 0.000 1.049 465 K CA 1.343 57.612 56.287 -0.030 0.000 0.931 465 K CB -0.240 32.244 32.500 -0.026 0.000 0.714 465 K HN 0.181 nan 8.250 nan 0.000 0.440 466 R N 1.252 121.697 120.500 -0.092 0.000 2.073 466 R HA -0.109 4.231 4.340 0.001 0.000 0.234 466 R C 2.258 178.495 176.300 -0.106 0.000 1.134 466 R CA 1.282 57.303 56.100 -0.131 0.000 0.952 466 R CB -0.225 29.990 30.300 -0.142 0.000 0.850 466 R HN 0.134 nan 8.270 nan 0.000 0.433 467 I N 1.318 121.870 120.570 -0.031 0.000 2.179 467 I HA -0.307 3.863 4.170 0.001 0.000 0.242 467 I C 1.763 177.964 176.117 0.140 0.000 1.088 467 I CA 1.133 62.484 61.300 0.084 0.000 1.357 467 I CB -0.406 37.692 38.000 0.164 0.000 1.051 467 I HN 0.264 nan 8.210 nan 0.000 0.409 468 N N 1.020 119.760 118.700 0.066 0.000 2.061 468 N HA -0.187 4.553 4.740 0.001 0.000 0.193 468 N C 1.918 177.447 175.510 0.031 0.000 1.030 468 N CA 1.456 54.538 53.050 0.053 0.000 0.856 468 N CB -0.616 37.880 38.487 0.014 0.000 1.023 468 N HN 0.316 nan 8.380 nan 0.000 0.424 469 L N 0.293 121.478 121.223 -0.064 0.000 2.017 469 L HA -0.120 4.220 4.340 0.001 0.000 0.208 469 L C 2.253 179.099 176.870 -0.041 0.000 1.073 469 L CA 0.875 55.623 54.840 -0.154 0.000 0.745 469 L CB -0.524 41.336 42.059 -0.332 0.000 0.894 469 L HN -0.011 nan 8.230 nan 0.000 0.432 470 V N 0.028 119.903 119.914 -0.065 0.000 2.427 470 V HA -0.239 3.882 4.120 0.001 0.000 0.248 470 V C 2.209 178.470 176.094 0.279 0.000 1.051 470 V CA 1.900 64.166 62.300 -0.056 0.000 1.048 470 V CB -0.791 30.755 31.823 -0.461 0.000 0.666 470 V HN 0.510 nan 8.190 nan 0.000 0.456 471 N N 0.573 119.532 118.700 0.432 0.000 2.120 471 N HA -0.179 4.561 4.740 0.001 0.000 0.188 471 N C 1.761 177.527 175.510 0.426 0.000 1.024 471 N CA 2.257 55.607 53.050 0.499 0.000 0.852 471 N CB -0.320 38.385 38.487 0.363 0.000 1.003 471 N HN 0.416 nan 8.380 nan 0.000 0.424 472 T N -0.476 114.255 114.554 0.295 0.000 2.821 472 T HA -0.086 4.264 4.350 0.001 0.000 0.267 472 T C 1.458 176.355 174.700 0.329 0.000 1.046 472 T CA 0.980 63.251 62.100 0.285 0.000 1.139 472 T CB -0.509 68.470 68.868 0.186 0.000 0.871 472 T HN 0.325 nan 8.240 nan 0.000 0.454 473 F N 1.651 121.671 119.950 0.116 0.000 2.134 473 F HA -0.089 4.438 4.527 0.001 0.000 0.299 473 F C 2.670 178.564 175.800 0.157 0.000 1.097 473 F CA 1.384 59.420 58.000 0.060 0.000 1.264 473 F CB -0.528 38.392 39.000 -0.134 0.000 1.001 473 F HN 0.087 nan 8.300 nan 0.000 0.479 474 S N -0.634 115.221 115.700 0.257 0.000 2.359 474 S HA -0.284 4.186 4.470 0.001 0.000 0.224 474 S C 1.938 176.535 174.600 -0.005 0.000 1.035 474 S CA 1.934 60.201 58.200 0.112 0.000 1.018 474 S CB -0.659 62.649 63.200 0.181 0.000 0.876 474 S HN 0.649 nan 8.310 nan 0.000 0.448 475 H N -1.374 117.756 119.070 0.100 0.000 2.387 475 H HA -0.050 4.507 4.556 0.001 0.000 0.299 475 H C 1.814 177.184 175.328 0.069 0.000 1.099 475 H CA 2.062 58.163 56.048 0.088 0.000 1.315 475 H CB -0.370 29.469 29.762 0.128 0.000 1.380 475 H HN 0.569 nan 8.280 nan 0.000 0.513 476 Y N 0.649 120.971 120.300 0.037 0.000 2.163 476 Y HA -0.184 4.366 4.550 0.001 0.000 0.288 476 Y C 2.023 177.851 175.900 -0.120 0.000 1.136 476 Y CA 1.086 59.153 58.100 -0.056 0.000 1.147 476 Y CB -0.217 38.180 38.460 -0.106 0.000 0.987 476 Y HN 0.103 nan 8.280 nan 0.000 0.509 477 I N -0.476 119.942 120.570 -0.252 0.000 2.315 477 I HA -0.250 3.921 4.170 0.001 0.000 0.248 477 I C 2.190 178.250 176.117 -0.095 0.000 1.117 477 I CA 1.674 62.845 61.300 -0.214 0.000 1.404 477 I CB -1.696 36.158 38.000 -0.242 0.000 1.071 477 I HN 0.236 nan 8.210 nan 0.000 0.419 478 T N 0.951 115.458 114.554 -0.079 0.000 2.684 478 T HA -0.128 4.222 4.350 0.001 0.000 0.267 478 T C 1.961 176.633 174.700 -0.047 0.000 1.036 478 T CA 1.669 63.742 62.100 -0.044 0.000 1.148 478 T CB -0.743 68.092 68.868 -0.056 0.000 0.863 478 T HN 0.520 nan 8.240 nan 0.000 0.436 479 G N 1.024 109.787 108.800 -0.062 0.000 2.418 479 G HA2 -0.067 3.893 3.960 0.001 0.000 0.217 479 G HA3 -0.067 3.893 3.960 0.001 0.000 0.217 479 G C 1.836 176.666 174.900 -0.117 0.000 1.158 479 G CA 0.948 46.005 45.100 -0.071 0.000 0.771 479 G HN 0.587 nan 8.290 nan 0.000 0.545 480 A N 0.376 123.072 122.820 -0.205 0.000 1.933 480 A HA 0.139 4.459 4.320 0.001 0.000 0.218 480 A C 2.317 179.889 177.584 -0.020 0.000 1.175 480 A CA 1.136 53.086 52.037 -0.144 0.000 0.628 480 A CB -0.305 18.590 19.000 -0.174 0.000 0.814 480 A HN 0.360 nan 8.150 nan 0.000 0.444 481 L N -1.115 120.091 121.223 -0.027 0.000 2.558 481 L HA 0.006 4.347 4.340 0.001 0.000 0.225 481 L C 2.089 178.929 176.870 -0.050 0.000 1.128 481 L CA 0.947 55.750 54.840 -0.062 0.000 0.868 481 L CB -0.105 41.908 42.059 -0.077 0.000 1.006 481 L HN 0.338 nan 8.230 nan 0.000 0.454 482 T N -1.510 113.021 114.554 -0.039 0.000 3.045 482 T HA -0.013 4.337 4.350 0.001 0.000 0.239 482 T C 0.738 175.418 174.700 -0.033 0.000 1.008 482 T CA -0.136 61.947 62.100 -0.028 0.000 1.143 482 T CB 0.083 68.942 68.868 -0.014 0.000 0.894 482 T HN 0.369 nan 8.240 nan 0.000 0.451 483 Q N 1.777 121.555 119.800 -0.037 0.000 2.432 483 Q HA 0.297 4.638 4.340 0.001 0.000 0.264 483 Q C -0.846 175.122 176.000 -0.053 0.000 1.035 483 Q CA -0.121 55.660 55.803 -0.036 0.000 0.908 483 Q CB 0.465 29.183 28.738 -0.034 0.000 1.280 483 Q HN 0.067 nan 8.270 nan 0.000 0.455 484 V N 3.740 123.621 119.914 -0.054 0.000 2.334 484 V HA 0.265 4.386 4.120 0.001 0.000 0.267 484 V C -2.009 174.039 176.094 -0.076 0.000 1.040 484 V CA -1.697 60.545 62.300 -0.097 0.000 0.866 484 V CB 0.472 32.246 31.823 -0.080 0.000 1.019 484 V HN 0.788 nan 8.190 nan 0.000 0.468 485 P HA 0.224 nan 4.420 nan 0.000 0.269 485 P C -2.439 174.833 177.300 -0.046 0.000 1.209 485 P CA -1.014 62.057 63.100 -0.047 0.000 0.776 485 P CB -0.017 31.663 31.700 -0.033 0.000 0.876 486 P HA 0.113 nan 4.420 nan 0.000 0.274 486 P C 0.693 178.015 177.300 0.036 0.000 1.237 486 P CA 0.386 63.501 63.100 0.024 0.000 0.793 486 P CB 0.428 32.152 31.700 0.040 0.000 0.977 487 G N 1.807 110.643 108.800 0.060 0.000 2.611 487 G HA2 -0.252 3.708 3.960 0.001 0.000 0.301 487 G HA3 -0.252 3.708 3.960 0.001 0.000 0.301 487 G C 0.789 175.765 174.900 0.126 0.000 1.233 487 G CA 0.253 45.415 45.100 0.105 0.000 0.993 487 G HN 0.798 nan 8.290 nan 0.000 0.553 488 G N 0.253 109.195 108.800 0.237 0.000 3.434 488 G HA2 0.465 4.425 3.960 0.001 0.000 0.258 488 G HA3 0.465 4.425 3.960 0.001 0.000 0.258 488 G C 0.601 175.728 174.900 0.378 0.000 1.128 488 G CA 0.690 46.053 45.100 0.439 0.000 0.792 488 G HN 0.663 nan 8.290 nan 0.000 0.539 489 K N 0.928 121.451 120.400 0.205 0.000 2.380 489 K HA 0.111 4.432 4.320 0.001 0.000 0.267 489 K C -0.400 176.324 176.600 0.206 0.000 0.990 489 K CA -0.380 56.015 56.287 0.180 0.000 0.946 489 K CB 0.621 33.184 32.500 0.105 0.000 0.937 489 K HN 0.036 nan 8.250 nan 0.000 0.491 490 D N 0.303 120.830 120.400 0.212 0.000 2.478 490 D HA 0.267 4.907 4.640 0.001 0.000 0.234 490 D C 0.469 176.870 176.300 0.168 0.000 1.154 490 D CA 1.311 55.450 54.000 0.232 0.000 0.874 490 D CB 0.758 41.675 40.800 0.195 0.000 1.198 490 D HN 0.650 nan 8.370 nan 0.000 0.455 491 G N -0.230 108.685 108.800 0.191 0.000 2.369 491 G HA2 0.130 4.090 3.960 0.001 0.000 0.293 491 G HA3 0.130 4.090 3.960 0.001 0.000 0.293 491 G C -1.130 173.829 174.900 0.098 0.000 1.301 491 G CA -1.087 44.085 45.100 0.121 0.000 0.913 491 G HN 0.411 nan 8.290 nan 0.000 0.540 492 L N 0.112 121.370 121.223 0.058 0.000 2.473 492 L HA 0.594 4.934 4.340 0.001 0.000 0.268 492 L C 0.753 177.561 176.870 -0.103 0.000 1.215 492 L CA -0.518 54.357 54.840 0.058 0.000 0.823 492 L CB 0.406 42.484 42.059 0.033 0.000 1.099 492 L HN 0.432 nan 8.230 nan 0.000 0.483 493 R N 1.214 121.637 120.500 -0.128 0.000 2.837 493 R HA 0.333 4.674 4.340 0.001 0.000 0.271 493 R C -1.947 174.165 176.300 -0.313 0.000 0.993 493 R CA -2.125 53.718 56.100 -0.429 0.000 0.931 493 R CB 1.072 31.001 30.300 -0.619 0.000 1.206 493 R HN 0.257 nan 8.270 nan 0.000 0.474 494 P HA -0.082 nan 4.420 nan 0.000 0.230 494 P C 0.213 177.486 177.300 -0.045 0.000 1.158 494 P CA 1.027 64.012 63.100 -0.191 0.000 0.769 494 P CB 0.265 31.883 31.700 -0.137 0.000 0.807 495 D N -1.645 118.763 120.400 0.014 0.000 2.340 495 D HA 0.130 4.771 4.640 0.001 0.000 0.217 495 D C 1.396 177.879 176.300 0.305 0.000 1.081 495 D CA 0.247 54.350 54.000 0.171 0.000 0.842 495 D CB -0.585 40.374 40.800 0.264 0.000 0.934 495 D HN 0.214 nan 8.370 nan 0.000 0.511 496 G N 0.419 109.362 108.800 0.238 0.000 2.175 496 G HA2 -0.285 3.675 3.960 0.001 0.000 0.244 496 G HA3 -0.285 3.675 3.960 0.001 0.000 0.244 496 G C 0.584 175.718 174.900 0.391 0.000 0.982 496 G CA 0.448 45.727 45.100 0.298 0.000 0.641 496 G HN 0.732 nan 8.290 nan 0.000 0.527 497 T N -1.388 113.428 114.554 0.438 0.000 2.726 497 T HA 0.740 5.090 4.350 0.001 0.000 0.294 497 T C 0.186 175.213 174.700 0.545 0.000 1.013 497 T CA 0.626 63.037 62.100 0.519 0.000 0.996 497 T CB 2.096 71.349 68.868 0.642 0.000 1.016 497 T HN 1.955 nan 8.240 nan 0.000 0.529 498 A N 0.710 123.928 122.820 0.664 0.000 2.456 498 A HA 0.557 4.877 4.320 0.001 0.000 0.288 498 A C -1.712 176.256 177.584 0.639 0.000 1.042 498 A CA -1.014 51.380 52.037 0.595 0.000 0.738 498 A CB 0.745 20.082 19.000 0.562 0.000 1.266 498 A HN 0.700 nan 8.150 nan 0.000 0.407 499 W N 1.150 122.569 121.300 0.198 0.000 2.606 499 W HA 0.848 5.509 4.660 0.001 0.000 0.332 499 W C 0.487 177.126 176.519 0.199 0.000 1.052 499 W CA -0.534 56.942 57.345 0.219 0.000 1.223 499 W CB 1.689 31.272 29.460 0.206 0.000 1.383 499 W HN 0.853 nan 8.180 nan 0.000 0.524 500 R N 0.475 121.221 120.500 0.409 0.000 2.707 500 R HA 0.299 4.639 4.340 0.001 0.000 0.272 500 R C -0.259 176.248 176.300 0.346 0.000 1.011 500 R CA -0.647 55.572 56.100 0.198 0.000 0.893 500 R CB 0.850 31.009 30.300 -0.237 0.000 1.233 500 R HN 0.784 nan 8.270 nan 0.000 0.464 501 H N 2.366 121.535 119.070 0.166 0.000 2.741 501 H HA -0.180 4.377 4.556 0.001 0.000 0.305 501 H C -0.693 174.911 175.328 0.459 0.000 1.169 501 H CA 0.921 57.110 56.048 0.236 0.000 1.144 501 H CB -0.867 29.012 29.762 0.196 0.000 1.397 501 H HN 0.842 nan 8.280 nan 0.000 0.409 502 E N -2.355 118.198 120.200 0.589 0.000 2.868 502 E HA -0.184 4.166 4.350 0.001 0.000 0.278 502 E C 0.707 177.559 176.600 0.421 0.000 1.009 502 E CA 0.642 57.411 56.400 0.616 0.000 0.856 502 E CB -1.241 28.768 29.700 0.514 0.000 1.428 502 E HN 0.795 nan 8.360 nan 0.000 0.423 503 G N 0.280 109.135 108.800 0.093 0.000 2.559 503 G HA2 0.388 4.348 3.960 0.001 0.000 0.291 503 G HA3 0.388 4.348 3.960 0.001 0.000 0.291 503 G C -1.217 173.030 174.900 -1.088 0.000 1.424 503 G CA -0.558 43.780 45.100 -1.269 0.000 0.786 503 G HN 0.039 nan 8.290 nan 0.000 0.485 504 N N -0.619 117.186 118.700 -1.491 0.000 2.411 504 N HA 0.159 4.900 4.740 0.001 0.000 0.261 504 N C -1.059 174.311 175.510 -0.234 0.000 1.248 504 N CA 0.529 53.239 53.050 -0.566 0.000 0.885 504 N CB 0.018 38.328 38.487 -0.295 0.000 1.062 504 N HN 0.495 nan 8.380 nan 0.000 0.471 505 Y N 4.721 124.993 120.300 -0.047 0.000 2.484 505 Y HA 0.288 4.838 4.550 0.001 0.000 0.348 505 Y C -1.964 173.924 175.900 -0.019 0.000 1.103 505 Y CA -1.923 56.196 58.100 0.032 0.000 1.317 505 Y CB 1.696 40.304 38.460 0.246 0.000 1.096 505 Y HN 0.642 nan 8.280 nan 0.000 0.568 506 P HA -0.187 nan 4.420 nan 0.000 0.216 506 P C 1.636 178.750 177.300 -0.310 0.000 1.150 506 P CA 2.205 65.177 63.100 -0.214 0.000 0.843 506 P CB 0.251 31.636 31.700 -0.525 0.000 0.787 507 G N -2.222 106.506 108.800 -0.120 0.000 2.448 507 G HA2 -0.249 3.711 3.960 0.001 0.000 0.219 507 G HA3 -0.249 3.711 3.960 0.001 0.000 0.219 507 G C 1.150 175.810 174.900 -0.401 0.000 1.127 507 G CA 0.628 45.563 45.100 -0.275 0.000 0.766 507 G HN 0.296 nan 8.290 nan 0.000 0.552 508 Y N 1.023 121.204 120.300 -0.199 0.000 2.343 508 Y HA -0.001 4.550 4.550 0.001 0.000 0.294 508 Y C 3.229 179.059 175.900 -0.117 0.000 1.122 508 Y CA 0.870 58.858 58.100 -0.188 0.000 1.173 508 Y CB 0.066 38.345 38.460 -0.302 0.000 1.077 508 Y HN 0.282 nan 8.280 nan 0.000 0.542 509 S N 0.082 115.789 115.700 0.013 0.000 2.382 509 S HA -0.189 4.281 4.470 0.001 0.000 0.228 509 S C 1.783 176.016 174.600 -0.612 0.000 1.027 509 S CA 0.989 58.971 58.200 -0.363 0.000 0.991 509 S CB -0.966 62.007 63.200 -0.379 0.000 0.823 509 S HN 0.225 nan 8.310 nan 0.000 0.469 510 F N 3.106 122.804 119.950 -0.420 0.000 2.069 510 F HA 0.107 4.634 4.527 0.001 0.000 0.298 510 F C -0.510 175.250 175.800 -0.066 0.000 1.113 510 F CA 0.397 58.294 58.000 -0.172 0.000 1.214 510 F CB -2.188 36.833 39.000 0.035 0.000 0.978 510 F HN 0.239 nan 8.300 nan 0.000 0.474 511 P HA -0.110 nan 4.420 nan 0.000 0.218 511 P C 1.522 178.900 177.300 0.131 0.000 1.149 511 P CA 2.139 65.324 63.100 0.143 0.000 0.817 511 P CB -0.270 31.503 31.700 0.122 0.000 0.785 512 A N -0.988 121.872 122.820 0.068 0.000 1.902 512 A HA -0.151 4.170 4.320 0.001 0.000 0.217 512 A C 2.126 179.776 177.584 0.110 0.000 1.181 512 A CA 1.253 53.353 52.037 0.107 0.000 0.623 512 A CB -1.782 17.258 19.000 0.067 0.000 0.818 512 A HN 0.135 nan 8.150 nan 0.000 0.443 513 F N -0.064 119.912 119.950 0.044 0.000 2.134 513 F HA -0.185 4.343 4.527 0.001 0.000 0.299 513 F C 2.438 178.220 175.800 -0.031 0.000 1.097 513 F CA 1.406 59.364 58.000 -0.070 0.000 1.264 513 F CB -0.095 38.820 39.000 -0.142 0.000 1.001 513 F HN 0.202 nan 8.300 nan 0.000 0.479 514 K N 0.723 121.270 120.400 0.244 0.000 2.009 514 K HA -0.211 4.110 4.320 0.001 0.000 0.210 514 K C 1.731 178.508 176.600 0.296 0.000 1.049 514 K CA 1.918 58.363 56.287 0.262 0.000 0.929 514 K CB -0.134 32.516 32.500 0.251 0.000 0.714 514 K HN 0.118 nan 8.250 nan 0.000 0.440 515 N N 0.420 119.258 118.700 0.229 0.000 2.216 515 N HA -0.071 4.669 4.740 0.001 0.000 0.183 515 N C 1.563 177.189 175.510 0.193 0.000 1.017 515 N CA 1.182 54.344 53.050 0.187 0.000 0.861 515 N CB -0.335 38.265 38.487 0.189 0.000 0.986 515 N HN 0.299 nan 8.380 nan 0.000 0.428 516 A N 0.452 123.389 122.820 0.196 0.000 1.933 516 A HA -0.069 4.251 4.320 0.001 0.000 0.218 516 A C 2.432 180.065 177.584 0.081 0.000 1.175 516 A CA 1.617 53.724 52.037 0.116 0.000 0.628 516 A CB -0.637 18.214 19.000 -0.249 0.000 0.814 516 A HN 0.242 nan 8.150 nan 0.000 0.444 517 S N -0.707 115.042 115.700 0.082 0.000 2.356 517 S HA -0.212 4.259 4.470 0.001 0.000 0.223 517 S C 2.126 176.812 174.600 0.144 0.000 1.032 517 S CA 1.387 59.651 58.200 0.106 0.000 1.005 517 S CB -0.342 62.935 63.200 0.128 0.000 0.867 517 S HN 0.712 nan 8.310 nan 0.000 0.449 518 Q N 0.682 120.499 119.800 0.028 0.000 2.096 518 Q HA -0.110 4.231 4.340 0.001 0.000 0.204 518 Q C 2.121 178.021 176.000 -0.168 0.000 0.982 518 Q CA 1.163 56.673 55.803 -0.488 0.000 0.850 518 Q CB -0.233 27.971 28.738 -0.891 0.000 0.901 518 Q HN 0.486 nan 8.270 nan 0.000 0.422 519 L N 0.256 121.489 121.223 0.016 0.000 2.017 519 L HA -0.235 4.105 4.340 0.001 0.000 0.208 519 L C 2.435 179.388 176.870 0.138 0.000 1.073 519 L CA 1.081 55.995 54.840 0.122 0.000 0.745 519 L CB -0.425 41.784 42.059 0.249 0.000 0.894 519 L HN 0.341 nan 8.230 nan 0.000 0.432 520 I N -1.315 119.345 120.570 0.149 0.000 2.179 520 I HA -0.370 3.800 4.170 0.001 0.000 0.242 520 I C 2.571 178.793 176.117 0.174 0.000 1.088 520 I CA 1.607 63.011 61.300 0.173 0.000 1.357 520 I CB -0.446 37.681 38.000 0.212 0.000 1.051 520 I HN 0.223 nan 8.210 nan 0.000 0.409 521 Y N 1.761 122.080 120.300 0.031 0.000 2.181 521 Y HA -0.229 4.321 4.550 0.001 0.000 0.288 521 Y C 2.338 178.217 175.900 -0.035 0.000 1.146 521 Y CA 1.568 59.669 58.100 0.001 0.000 1.164 521 Y CB -0.243 38.192 38.460 -0.041 0.000 0.982 521 Y HN 0.014 nan 8.280 nan 0.000 0.515 522 L N -0.334 120.881 121.223 -0.014 0.000 2.079 522 L HA -0.241 4.099 4.340 0.001 0.000 0.210 522 L C 1.974 178.807 176.870 -0.062 0.000 1.081 522 L CA 1.251 56.048 54.840 -0.071 0.000 0.752 522 L CB -0.440 41.614 42.059 -0.009 0.000 0.896 522 L HN 0.300 nan 8.230 nan 0.000 0.433 523 L N -0.503 120.725 121.223 0.009 0.000 2.607 523 L HA 0.081 4.421 4.340 0.001 0.000 0.228 523 L C 1.260 178.150 176.870 0.034 0.000 1.123 523 L CA -0.303 54.574 54.840 0.061 0.000 0.890 523 L CB -0.275 41.870 42.059 0.142 0.000 1.103 523 L HN 0.281 nan 8.230 nan 0.000 0.468 524 R N 0.094 120.571 120.500 -0.039 0.000 2.679 524 R HA -0.036 4.304 4.340 0.001 0.000 0.268 524 R C -0.436 175.831 176.300 -0.055 0.000 1.044 524 R CA -0.162 55.908 56.100 -0.050 0.000 1.105 524 R CB 0.129 30.374 30.300 -0.091 0.000 0.989 524 R HN 0.073 nan 8.270 nan 0.000 0.447 525 D N 0.330 120.699 120.400 -0.051 0.000 2.751 525 D HA -0.162 4.478 4.640 0.001 0.000 0.233 525 D C -0.476 175.809 176.300 -0.025 0.000 1.149 525 D CA 1.937 55.907 54.000 -0.049 0.000 0.682 525 D CB -1.025 39.740 40.800 -0.059 0.000 1.068 525 D HN 0.864 nan 8.370 nan 0.000 0.429 526 T N -5.318 109.235 114.554 -0.001 0.000 2.865 526 T HA 0.576 4.927 4.350 0.001 0.000 0.294 526 T C -2.518 172.150 174.700 -0.053 0.000 1.119 526 T CA -1.501 60.617 62.100 0.031 0.000 1.007 526 T CB 2.717 71.694 68.868 0.182 0.000 1.225 526 T HN -0.389 nan 8.240 nan 0.000 0.515 527 P HA 0.166 nan 4.420 nan 0.000 0.236 527 P C 0.096 177.017 177.300 -0.632 0.000 1.172 527 P CA 0.635 63.467 63.100 -0.446 0.000 0.759 527 P CB -0.308 31.017 31.700 -0.625 0.000 0.843 528 F N -1.556 118.393 119.950 -0.002 0.000 2.661 528 F HA 0.134 4.661 4.527 0.001 0.000 0.306 528 F C 1.207 177.009 175.800 0.003 0.000 1.094 528 F CA -0.514 57.495 58.000 0.014 0.000 1.254 528 F CB -0.401 38.620 39.000 0.036 0.000 1.040 528 F HN -0.232 nan 8.300 nan 0.000 0.562 529 S N 0.726 116.477 115.700 0.085 0.000 2.558 529 S HA 0.183 4.653 4.470 0.001 0.000 0.288 529 S C 0.158 174.772 174.600 0.023 0.000 1.318 529 S CA -0.865 57.364 58.200 0.049 0.000 1.056 529 S CB 0.796 63.993 63.200 -0.006 0.000 0.853 529 S HN -0.011 nan 8.310 nan 0.000 0.505 530 V N 3.159 123.103 119.914 0.049 0.000 2.740 530 V HA 0.350 4.470 4.120 0.001 0.000 0.303 530 V C 1.564 177.664 176.094 0.010 0.000 1.054 530 V CA 0.222 62.541 62.300 0.031 0.000 1.106 530 V CB -0.054 31.817 31.823 0.080 0.000 0.957 530 V HN 1.124 nan 8.190 nan 0.000 0.486 531 G N 2.439 111.224 108.800 -0.024 0.000 2.491 531 G HA2 0.074 4.034 3.960 0.001 0.000 0.238 531 G HA3 0.074 4.034 3.960 0.001 0.000 0.238 531 G C 0.734 175.654 174.900 0.035 0.000 1.277 531 G CA -0.073 45.014 45.100 -0.022 0.000 0.851 531 G HN 0.948 nan 8.290 nan 0.000 0.573 532 E N 0.725 120.935 120.200 0.016 0.000 2.209 532 E HA -0.217 4.134 4.350 0.001 0.000 0.196 532 E C 2.583 179.257 176.600 0.122 0.000 0.993 532 E CA 1.459 57.891 56.400 0.053 0.000 0.819 532 E CB -0.006 29.679 29.700 -0.024 0.000 0.745 532 E HN 0.619 nan 8.360 nan 0.000 0.477 533 S N -0.493 115.248 115.700 0.068 0.000 2.370 533 S HA -0.141 4.330 4.470 0.001 0.000 0.226 533 S C 2.131 176.772 174.600 0.070 0.000 1.033 533 S CA 1.193 59.430 58.200 0.063 0.000 1.011 533 S CB -0.839 62.379 63.200 0.030 0.000 0.852 533 S HN 0.366 nan 8.310 nan 0.000 0.457 534 G N -0.015 108.826 108.800 0.068 0.000 2.394 534 G HA2 -0.143 3.818 3.960 0.001 0.000 0.215 534 G HA3 -0.143 3.818 3.960 0.001 0.000 0.215 534 G C 1.105 176.044 174.900 0.065 0.000 1.165 534 G CA 0.511 45.635 45.100 0.041 0.000 0.784 534 G HN 0.620 nan 8.290 nan 0.000 0.535 535 W N 1.970 123.243 121.300 -0.046 0.000 2.335 535 W HA -0.141 4.519 4.660 0.001 0.000 0.311 535 W C 2.380 178.867 176.519 -0.055 0.000 1.213 535 W CA 1.646 58.963 57.345 -0.047 0.000 1.274 535 W CB -0.035 29.404 29.460 -0.035 0.000 1.148 535 W HN 0.116 nan 8.180 nan 0.000 0.498 536 N N 0.032 118.916 118.700 0.307 0.000 2.069 536 N HA -0.256 4.484 4.740 0.001 0.000 0.191 536 N C 1.493 176.970 175.510 -0.055 0.000 1.031 536 N CA 1.868 55.014 53.050 0.161 0.000 0.852 536 N CB -1.239 37.360 38.487 0.185 0.000 1.018 536 N HN 0.472 nan 8.380 nan 0.000 0.423 537 N N 0.157 118.828 118.700 -0.049 0.000 2.188 537 N HA -0.110 4.630 4.740 0.001 0.000 0.184 537 N C 1.677 177.091 175.510 -0.160 0.000 1.018 537 N CA 0.350 53.353 53.050 -0.077 0.000 0.858 537 N CB 0.035 38.491 38.487 -0.051 0.000 0.989 537 N HN 0.018 nan 8.380 nan 0.000 0.426 538 L N 2.156 123.239 121.223 -0.234 0.000 2.093 538 L HA -0.093 4.247 4.340 0.001 0.000 0.208 538 L C 2.302 178.877 176.870 -0.491 0.000 1.085 538 L CA 1.645 56.279 54.840 -0.344 0.000 0.755 538 L CB -0.683 41.168 42.059 -0.347 0.000 0.904 538 L HN 0.048 nan 8.230 nan 0.000 0.435 539 K N -0.398 119.654 120.400 -0.580 0.000 2.032 539 K HA -0.290 4.031 4.320 0.001 0.000 0.209 539 K C 2.278 178.677 176.600 -0.336 0.000 1.048 539 K CA 1.797 57.734 56.287 -0.583 0.000 0.927 539 K CB -0.140 31.912 32.500 -0.747 0.000 0.712 539 K HN 0.116 nan 8.250 nan 0.000 0.441 540 K N 0.833 121.102 120.400 -0.218 0.000 2.032 540 K HA -0.117 4.203 4.320 0.001 0.000 0.209 540 K C 1.774 178.318 176.600 -0.095 0.000 1.048 540 K CA 1.876 58.107 56.287 -0.093 0.000 0.927 540 K CB -0.674 31.808 32.500 -0.030 0.000 0.712 540 K HN 0.275 nan 8.250 nan 0.000 0.441 541 A N 0.215 122.923 122.820 -0.187 0.000 1.930 541 A HA -0.100 4.221 4.320 0.001 0.000 0.217 541 A C 2.233 179.506 177.584 -0.519 0.000 1.175 541 A CA 1.878 53.773 52.037 -0.236 0.000 0.627 541 A CB -0.449 18.403 19.000 -0.247 0.000 0.815 541 A HN 0.424 nan 8.150 nan 0.000 0.443 542 M N -0.989 118.204 119.600 -0.678 0.000 2.288 542 M HA -0.057 4.424 4.480 0.001 0.000 0.266 542 M C 1.993 178.201 176.300 -0.153 0.000 1.072 542 M CA 0.829 55.731 55.300 -0.663 0.000 1.132 542 M CB -0.164 31.904 32.600 -0.887 0.000 1.386 542 M HN 0.226 nan 8.290 nan 0.000 0.432 543 V N -0.406 119.447 119.914 -0.102 0.000 2.407 543 V HA -0.229 3.891 4.120 0.001 0.000 0.248 543 V C 2.305 178.426 176.094 0.045 0.000 1.055 543 V CA 1.905 64.232 62.300 0.044 0.000 1.049 543 V CB -0.635 31.203 31.823 0.025 0.000 0.662 543 V HN 0.415 nan 8.190 nan 0.000 0.455 544 S N 0.233 115.938 115.700 0.008 0.000 2.368 544 S HA -0.153 4.317 4.470 0.001 0.000 0.225 544 S C 2.229 176.575 174.600 -0.424 0.000 1.030 544 S CA 1.384 59.623 58.200 0.065 0.000 0.999 544 S CB -0.455 62.919 63.200 0.290 0.000 0.844 544 S HN 0.656 nan 8.310 nan 0.000 0.459 545 A N 1.325 123.817 122.820 -0.546 0.000 1.933 545 A HA -0.136 4.184 4.320 0.001 0.000 0.218 545 A C 1.844 179.095 177.584 -0.556 0.000 1.175 545 A CA 1.180 52.625 52.037 -0.986 0.000 0.628 545 A CB -0.985 17.808 19.000 -0.345 0.000 0.814 545 A HN 0.826 nan 8.150 nan 0.000 0.444 546 W N 0.613 121.671 121.300 -0.403 0.000 2.338 546 W HA -0.205 4.455 4.660 0.001 0.000 0.304 546 W C 1.602 177.945 176.519 -0.294 0.000 1.212 546 W CA 1.749 58.898 57.345 -0.326 0.000 1.264 546 W CB -0.233 29.047 29.460 -0.301 0.000 1.142 546 W HN 0.331 nan 8.180 nan 0.000 0.512 547 I N 0.737 121.071 120.570 -0.394 0.000 2.226 547 I HA -0.330 3.841 4.170 0.001 0.000 0.245 547 I C 2.004 177.957 176.117 -0.273 0.000 1.100 547 I CA 1.618 62.633 61.300 -0.476 0.000 1.374 547 I CB -0.675 37.058 38.000 -0.444 0.000 1.057 547 I HN 0.041 nan 8.210 nan 0.000 0.413 548 Y N 0.229 120.449 120.300 -0.133 0.000 2.532 548 Y HA 0.437 4.987 4.550 0.001 0.000 0.283 548 Y C 0.560 176.418 175.900 -0.070 0.000 1.181 548 Y CA -1.248 56.804 58.100 -0.080 0.000 1.256 548 Y CB -1.034 37.383 38.460 -0.072 0.000 1.112 548 Y HN 0.030 nan 8.280 nan 0.000 0.521 549 S N -0.130 115.541 115.700 -0.049 0.000 2.570 549 S HA 0.581 5.051 4.470 0.001 0.000 0.286 549 S C -0.734 173.795 174.600 -0.118 0.000 1.099 549 S CA -0.836 57.370 58.200 0.011 0.000 0.913 549 S CB 1.960 65.240 63.200 0.134 0.000 1.085 549 S HN 0.237 nan 8.310 nan 0.000 0.480 550 N N 1.127 119.785 118.700 -0.069 0.000 2.604 550 N HA 0.363 5.103 4.740 0.001 0.000 0.284 550 N C -2.542 172.939 175.510 -0.048 0.000 1.716 550 N CA -1.313 51.671 53.050 -0.110 0.000 0.859 550 N CB 1.293 39.719 38.487 -0.101 0.000 1.403 550 N HN 0.473 nan 8.380 nan 0.000 0.501 551 P HA 0.170 nan 4.420 nan 0.000 0.261 551 P C -0.403 176.940 177.300 0.071 0.000 1.268 551 P CA 0.303 63.413 63.100 0.016 0.000 0.833 551 P CB 0.594 32.318 31.700 0.040 0.000 1.231 552 E N 0.267 120.494 120.200 0.045 0.000 2.277 552 E HA 0.288 4.639 4.350 0.001 0.000 0.274 552 E C 0.262 176.877 176.600 0.026 0.000 1.022 552 E CA -1.070 55.360 56.400 0.049 0.000 0.853 552 E CB 1.566 31.266 29.700 -0.000 0.000 1.086 552 E HN -0.108 nan 8.360 nan 0.000 0.397 553 V N 0.122 120.048 119.914 0.020 0.000 2.963 553 V HA 0.350 4.470 4.120 0.001 0.000 0.306 553 V C 0.819 176.830 176.094 -0.138 0.000 1.077 553 V CA -0.366 61.919 62.300 -0.025 0.000 1.124 553 V CB 0.464 32.241 31.823 -0.077 0.000 0.987 553 V HN 0.709 nan 8.190 nan 0.000 0.487 554 G N 1.510 110.203 108.800 -0.178 0.000 2.690 554 G HA2 0.213 4.173 3.960 0.001 0.000 0.239 554 G HA3 0.213 4.173 3.960 0.001 0.000 0.239 554 G C 0.627 175.338 174.900 -0.315 0.000 1.233 554 G CA -0.136 44.813 45.100 -0.252 0.000 0.847 554 G HN 1.012 nan 8.290 nan 0.000 0.588 555 L N 1.220 122.207 121.223 -0.394 0.000 2.051 555 L HA -0.136 4.204 4.340 0.001 0.000 0.214 555 L C 0.093 176.779 176.870 -0.306 0.000 1.076 555 L CA 1.724 56.307 54.840 -0.428 0.000 0.758 555 L CB -0.735 41.000 42.059 -0.540 0.000 0.890 555 L HN 0.432 nan 8.230 nan 0.000 0.433 556 P HA -0.117 nan 4.420 nan 0.000 0.223 556 P C 1.117 178.216 177.300 -0.334 0.000 1.151 556 P CA 1.001 63.962 63.100 -0.233 0.000 0.787 556 P CB 0.169 31.752 31.700 -0.195 0.000 0.788 557 L N -1.701 119.281 121.223 -0.402 0.000 2.700 557 L HA 0.300 4.641 4.340 0.001 0.000 0.234 557 L C 1.762 178.413 176.870 -0.365 0.000 1.156 557 L CA 0.042 54.592 54.840 -0.483 0.000 0.946 557 L CB -1.018 40.673 42.059 -0.612 0.000 1.216 557 L HN -0.143 nan 8.230 nan 0.000 0.493 558 A N -1.056 121.588 122.820 -0.293 0.000 2.238 558 A HA 0.487 4.808 4.320 0.001 0.000 0.208 558 A C 1.655 179.134 177.584 -0.174 0.000 1.177 558 A CA 0.580 52.489 52.037 -0.213 0.000 0.804 558 A CB -0.688 18.189 19.000 -0.204 0.000 0.823 558 A HN 0.447 nan 8.150 nan 0.000 0.482 559 G N 1.105 109.730 108.800 -0.292 0.000 2.596 559 G HA2 -0.420 3.540 3.960 0.001 0.000 0.295 559 G HA3 -0.420 3.540 3.960 0.001 0.000 0.295 559 G C 0.875 175.621 174.900 -0.256 0.000 1.240 559 G CA 0.816 45.676 45.100 -0.399 0.000 0.985 559 G HN 1.180 nan 8.290 nan 0.000 0.555 560 R N 0.360 120.692 120.500 -0.279 0.000 2.319 560 R HA 0.147 4.488 4.340 0.001 0.000 0.204 560 R C 0.351 176.357 176.300 -0.489 0.000 0.954 560 R CA 1.049 56.886 56.100 -0.438 0.000 1.066 560 R CB -0.046 29.873 30.300 -0.635 0.000 0.991 560 R HN 0.570 nan 8.270 nan 0.000 0.486 561 H N 2.155 121.183 119.070 -0.069 0.000 2.351 561 H HA 0.321 4.877 4.556 0.001 0.000 0.232 561 H C -2.322 172.990 175.328 -0.026 0.000 1.452 561 H CA -2.721 53.308 56.048 -0.032 0.000 1.236 561 H CB 0.667 30.403 29.762 -0.042 0.000 1.579 561 H HN 0.227 nan 8.280 nan 0.000 0.535 562 P HA -0.067 nan 4.420 nan 0.000 0.266 562 P C 0.125 177.487 177.300 0.102 0.000 1.195 562 P CA 0.125 63.204 63.100 -0.036 0.000 0.768 562 P CB 0.530 32.312 31.700 0.136 0.000 0.838 563 F N -0.799 119.129 119.950 -0.036 0.000 2.840 563 F HA -0.213 4.315 4.527 0.001 0.000 0.310 563 F C 0.697 176.494 175.800 -0.005 0.000 0.688 563 F CA 0.951 58.924 58.000 -0.045 0.000 1.286 563 F CB -2.127 36.846 39.000 -0.044 0.000 1.612 563 F HN 0.449 nan 8.300 nan 0.000 0.335 564 N N 0.042 118.799 118.700 0.095 0.000 2.646 564 N HA 0.188 4.928 4.740 0.001 0.000 0.296 564 N C -0.423 175.079 175.510 -0.013 0.000 1.886 564 N CA 0.020 53.098 53.050 0.046 0.000 0.855 564 N CB 0.479 38.986 38.487 0.034 0.000 1.336 564 N HN 0.050 nan 8.380 nan 0.000 0.496 565 S N 1.955 117.626 115.700 -0.048 0.000 2.568 565 S HA 0.178 4.648 4.470 0.001 0.000 0.282 565 S C -2.111 172.443 174.600 -0.076 0.000 1.338 565 S CA -0.558 57.588 58.200 -0.090 0.000 1.045 565 S CB 0.729 63.857 63.200 -0.120 0.000 0.873 565 S HN 0.384 nan 8.310 nan 0.000 0.516 566 P HA 0.134 nan 4.420 nan 0.000 0.269 566 P C -0.717 176.607 177.300 0.039 0.000 1.215 566 P CA -0.241 62.798 63.100 -0.101 0.000 0.780 566 P CB 0.587 32.071 31.700 -0.360 0.000 0.898 567 S N 0.994 116.818 115.700 0.207 0.000 2.503 567 S HA 0.268 4.738 4.470 0.001 0.000 0.301 567 S C 0.886 175.732 174.600 0.410 0.000 1.087 567 S CA -0.710 57.649 58.200 0.264 0.000 1.042 567 S CB 0.683 63.967 63.200 0.140 0.000 1.043 567 S HN 0.274 nan 8.310 nan 0.000 0.489 568 L N 4.736 126.160 121.223 0.335 0.000 2.353 568 L HA 0.084 4.424 4.340 0.001 0.000 0.220 568 L C 2.195 179.125 176.870 0.099 0.000 1.133 568 L CA 1.643 56.565 54.840 0.137 0.000 0.798 568 L CB -0.365 41.733 42.059 0.065 0.000 0.922 568 L HN 0.726 nan 8.230 nan 0.000 0.445 569 K N -0.970 119.490 120.400 0.100 0.000 2.152 569 K HA -0.165 4.155 4.320 0.001 0.000 0.206 569 K C 2.131 178.773 176.600 0.070 0.000 1.048 569 K CA 1.558 57.877 56.287 0.055 0.000 0.933 569 K CB -0.317 32.206 32.500 0.039 0.000 0.721 569 K HN 0.551 nan 8.250 nan 0.000 0.447 570 S N 0.183 115.954 115.700 0.119 0.000 2.481 570 S HA -0.034 4.436 4.470 0.001 0.000 0.231 570 S C 1.694 176.368 174.600 0.123 0.000 0.996 570 S CA 0.573 58.846 58.200 0.122 0.000 0.942 570 S CB 0.034 63.329 63.200 0.160 0.000 0.768 570 S HN 0.027 nan 8.310 nan 0.000 0.520 571 V N 1.142 121.130 119.914 0.123 0.000 3.621 571 V HA 0.387 4.508 4.120 0.001 0.000 0.285 571 V C 2.610 178.810 176.094 0.177 0.000 1.346 571 V CA 0.354 62.729 62.300 0.124 0.000 1.104 571 V CB -0.747 31.108 31.823 0.054 0.000 0.913 571 V HN 0.550 nan 8.190 nan 0.000 0.432 572 A N 0.175 123.080 122.820 0.142 0.000 1.903 572 A HA -0.296 4.024 4.320 0.001 0.000 0.219 572 A C 2.195 179.921 177.584 0.237 0.000 1.191 572 A CA 1.994 54.139 52.037 0.180 0.000 0.638 572 A CB -0.429 18.581 19.000 0.017 0.000 0.823 572 A HN 0.458 nan 8.150 nan 0.000 0.451 573 Q N -0.768 118.990 119.800 -0.069 0.000 2.170 573 Q HA -0.123 4.218 4.340 0.001 0.000 0.203 573 Q C 2.205 177.792 176.000 -0.687 0.000 0.976 573 Q CA 1.435 56.893 55.803 -0.576 0.000 0.858 573 Q CB -0.974 27.134 28.738 -1.050 0.000 0.907 573 Q HN 0.696 nan 8.270 nan 0.000 0.433 574 G N -0.761 107.910 108.800 -0.214 0.000 2.450 574 G HA2 -0.259 3.702 3.960 0.001 0.000 0.220 574 G HA3 -0.259 3.702 3.960 0.001 0.000 0.220 574 G C 1.097 175.906 174.900 -0.151 0.000 1.130 574 G CA 0.593 45.691 45.100 -0.002 0.000 0.760 574 G HN 0.348 nan 8.290 nan 0.000 0.557 575 Y N -1.039 119.224 120.300 -0.061 0.000 2.242 575 Y HA -0.064 4.486 4.550 0.001 0.000 0.291 575 Y C 2.464 178.325 175.900 -0.066 0.000 1.137 575 Y CA 1.226 59.293 58.100 -0.055 0.000 1.181 575 Y CB -0.523 37.932 38.460 -0.008 0.000 0.989 575 Y HN 0.313 nan 8.280 nan 0.000 0.527 576 Y N -0.815 119.325 120.300 -0.267 0.000 2.163 576 Y HA -0.289 4.262 4.550 0.001 0.000 0.288 576 Y C 1.919 177.683 175.900 -0.228 0.000 1.136 576 Y CA 1.420 59.223 58.100 -0.496 0.000 1.147 576 Y CB -0.624 37.065 38.460 -1.285 0.000 0.987 576 Y HN 0.058 nan 8.280 nan 0.000 0.509 577 W N -0.003 121.149 121.300 -0.247 0.000 2.338 577 W HA -0.210 4.450 4.660 0.001 0.000 0.304 577 W C 2.289 178.755 176.519 -0.087 0.000 1.212 577 W CA 1.205 58.330 57.345 -0.366 0.000 1.264 577 W CB -1.267 28.034 29.460 -0.265 0.000 1.142 577 W HN 0.274 nan 8.180 nan 0.000 0.512 578 L N 0.801 122.106 121.223 0.136 0.000 2.072 578 L HA 0.007 4.348 4.340 0.001 0.000 0.205 578 L C 2.540 179.570 176.870 0.267 0.000 1.079 578 L CA 2.326 57.236 54.840 0.116 0.000 0.752 578 L CB -1.283 40.645 42.059 -0.217 0.000 0.906 578 L HN -0.113 nan 8.230 nan 0.000 0.436 579 A N -0.798 122.094 122.820 0.121 0.000 1.917 579 A HA -0.233 4.087 4.320 0.001 0.000 0.219 579 A C 2.068 179.737 177.584 0.141 0.000 1.182 579 A CA 2.154 54.272 52.037 0.135 0.000 0.633 579 A CB -0.523 18.488 19.000 0.019 0.000 0.819 579 A HN 0.447 nan 8.150 nan 0.000 0.448 580 M N 0.349 119.983 119.600 0.056 0.000 2.561 580 M HA 0.034 4.515 4.480 0.001 0.000 0.238 580 M C 1.297 177.697 176.300 0.165 0.000 1.131 580 M CA 1.217 56.553 55.300 0.060 0.000 1.046 580 M CB -0.625 31.890 32.600 -0.141 0.000 1.532 580 M HN 0.586 nan 8.290 nan 0.000 0.497 581 S N -1.381 114.467 115.700 0.247 0.000 2.663 581 S HA 0.511 4.982 4.470 0.001 0.000 0.243 581 S C 0.661 175.251 174.600 -0.016 0.000 1.009 581 S CA -0.516 57.797 58.200 0.188 0.000 0.988 581 S CB 0.032 63.421 63.200 0.315 0.000 0.896 581 S HN 0.243 nan 8.310 nan 0.000 0.502 582 A N 2.138 124.889 122.820 -0.116 0.000 2.425 582 A HA 0.425 4.746 4.320 0.001 0.000 0.242 582 A C 1.352 178.616 177.584 -0.533 0.000 1.077 582 A CA -0.189 51.419 52.037 -0.715 0.000 0.781 582 A CB 0.223 18.953 19.000 -0.450 0.000 1.020 582 A HN 0.475 nan 8.150 nan 0.000 0.494 583 K N 0.535 120.547 120.400 -0.646 0.000 2.103 583 K HA -0.107 4.213 4.320 0.001 0.000 0.207 583 K C 0.714 177.166 176.600 -0.246 0.000 1.048 583 K CA 1.783 57.852 56.287 -0.363 0.000 0.930 583 K CB -0.040 32.266 32.500 -0.323 0.000 0.716 583 K HN 0.560 nan 8.250 nan 0.000 0.444 584 S N 0.820 116.367 115.700 -0.255 0.000 2.426 584 S HA 0.277 4.747 4.470 0.001 0.000 0.236 584 S C -1.138 173.385 174.600 -0.128 0.000 1.368 584 S CA -0.832 57.274 58.200 -0.156 0.000 1.154 584 S CB 0.933 64.059 63.200 -0.124 0.000 1.037 584 S HN 0.219 nan 8.310 nan 0.000 0.481 585 S N 4.863 120.506 115.700 -0.094 0.000 2.586 585 S HA 0.587 5.057 4.470 0.001 0.000 0.274 585 S C -2.215 172.380 174.600 -0.008 0.000 1.281 585 S CA -0.807 57.368 58.200 -0.042 0.000 1.035 585 S CB 0.807 63.997 63.200 -0.016 0.000 0.962 585 S HN 0.697 nan 8.310 nan 0.000 0.512 586 P HA 0.288 nan 4.420 nan 0.000 0.286 586 P C -1.156 176.128 177.300 -0.027 0.000 1.261 586 P CA -0.570 62.539 63.100 0.015 0.000 0.821 586 P CB 0.434 32.158 31.700 0.040 0.000 1.013 587 D N 1.174 121.587 120.400 0.021 0.000 2.363 587 D HA 0.003 4.643 4.640 0.001 0.000 0.263 587 D C 1.174 177.432 176.300 -0.070 0.000 1.258 587 D CA 0.062 54.093 54.000 0.052 0.000 0.907 587 D CB 0.524 41.497 40.800 0.288 0.000 1.107 587 D HN 0.155 nan 8.370 nan 0.000 0.495 588 K N 1.653 122.000 120.400 -0.089 0.000 2.063 588 K HA -0.139 4.182 4.320 0.001 0.000 0.208 588 K C 1.847 178.350 176.600 -0.161 0.000 1.048 588 K CA 1.379 57.574 56.287 -0.153 0.000 0.928 588 K CB -0.008 32.433 32.500 -0.099 0.000 0.713 588 K HN 0.444 nan 8.250 nan 0.000 0.442 589 T N 1.842 116.340 114.554 -0.093 0.000 2.622 589 T HA -0.129 4.221 4.350 0.001 0.000 0.266 589 T C 1.847 176.446 174.700 -0.168 0.000 1.047 589 T CA 1.262 63.297 62.100 -0.109 0.000 1.159 589 T CB -0.239 68.601 68.868 -0.048 0.000 0.863 589 T HN 0.101 nan 8.240 nan 0.000 0.422 590 L N 0.645 121.802 121.223 -0.109 0.000 2.141 590 L HA -0.044 4.296 4.340 0.001 0.000 0.209 590 L C 2.963 179.761 176.870 -0.120 0.000 1.094 590 L CA 0.997 55.795 54.840 -0.069 0.000 0.763 590 L CB -0.616 41.434 42.059 -0.016 0.000 0.908 590 L HN 0.238 nan 8.230 nan 0.000 0.437 591 A N 0.191 122.841 122.820 -0.284 0.000 1.877 591 A HA -0.236 4.084 4.320 0.001 0.000 0.216 591 A C 2.562 179.924 177.584 -0.369 0.000 1.186 591 A CA 2.047 53.709 52.037 -0.625 0.000 0.620 591 A CB -0.800 17.421 19.000 -1.299 0.000 0.822 591 A HN 0.506 nan 8.150 nan 0.000 0.443 592 S N 0.072 115.573 115.700 -0.332 0.000 2.382 592 S HA -0.137 4.333 4.470 0.001 0.000 0.228 592 S C 1.885 176.254 174.600 -0.386 0.000 1.027 592 S CA 1.476 59.512 58.200 -0.274 0.000 0.991 592 S CB -0.765 62.298 63.200 -0.227 0.000 0.823 592 S HN 0.473 nan 8.310 nan 0.000 0.469 593 I N 0.267 120.506 120.570 -0.552 0.000 2.202 593 I HA -0.121 4.050 4.170 0.001 0.000 0.242 593 I C 2.542 178.239 176.117 -0.700 0.000 1.091 593 I CA 1.754 62.454 61.300 -1.001 0.000 1.368 593 I CB -0.575 36.683 38.000 -1.238 0.000 1.058 593 I HN 0.309 nan 8.210 nan 0.000 0.410 594 Y N 1.934 121.988 120.300 -0.410 0.000 2.114 594 Y HA -0.288 4.262 4.550 0.001 0.000 0.282 594 Y C 2.288 178.110 175.900 -0.130 0.000 1.165 594 Y CA 1.703 59.702 58.100 -0.168 0.000 1.148 594 Y CB -0.476 38.073 38.460 0.149 0.000 0.972 594 Y HN 0.014 nan 8.280 nan 0.000 0.504 595 L N -0.147 120.982 121.223 -0.158 0.000 2.012 595 L HA -0.285 4.055 4.340 0.001 0.000 0.210 595 L C 2.852 179.550 176.870 -0.288 0.000 1.073 595 L CA 1.409 56.121 54.840 -0.213 0.000 0.748 595 L CB -1.192 40.854 42.059 -0.022 0.000 0.891 595 L HN 0.372 nan 8.230 nan 0.000 0.431 596 A N 0.375 123.017 122.820 -0.297 0.000 1.858 596 A HA -0.193 4.127 4.320 0.001 0.000 0.216 596 A C 2.207 179.684 177.584 -0.178 0.000 1.190 596 A CA 1.798 53.710 52.037 -0.209 0.000 0.617 596 A CB -0.767 18.099 19.000 -0.223 0.000 0.827 596 A HN 0.372 nan 8.150 nan 0.000 0.443 597 I N 0.702 121.097 120.570 -0.291 0.000 2.286 597 I HA -0.218 3.953 4.170 0.001 0.000 0.248 597 I C 2.492 178.475 176.117 -0.223 0.000 1.115 597 I CA 1.638 62.822 61.300 -0.192 0.000 1.392 597 I CB -0.187 37.653 38.000 -0.266 0.000 1.065 597 I HN 0.477 nan 8.210 nan 0.000 0.418 598 S N -1.338 114.128 115.700 -0.389 0.000 2.593 598 S HA -0.043 4.427 4.470 0.001 0.000 0.217 598 S C 0.728 175.176 174.600 -0.254 0.000 0.966 598 S CA -0.102 57.867 58.200 -0.384 0.000 0.914 598 S CB -0.166 62.602 63.200 -0.719 0.000 0.776 598 S HN 0.456 nan 8.310 nan 0.000 0.523 599 D N 1.023 121.302 120.400 -0.201 0.000 2.746 599 D HA -0.106 4.534 4.640 0.001 0.000 0.236 599 D C -0.692 175.535 176.300 -0.122 0.000 1.129 599 D CA 0.756 54.681 54.000 -0.126 0.000 0.691 599 D CB -0.835 39.911 40.800 -0.090 0.000 1.077 599 D HN 0.591 nan 8.370 nan 0.000 0.432 600 K N 0.026 120.338 120.400 -0.148 0.000 2.156 600 K HA 0.447 4.768 4.320 0.001 0.000 0.250 600 K C 0.712 177.281 176.600 -0.053 0.000 0.955 600 K CA -0.605 55.625 56.287 -0.095 0.000 0.855 600 K CB 1.499 33.938 32.500 -0.101 0.000 1.101 600 K HN 0.080 nan 8.250 nan 0.000 0.434 601 T N -2.055 112.484 114.554 -0.024 0.000 2.847 601 T HA 0.034 4.385 4.350 0.001 0.000 0.279 601 T C 1.221 175.928 174.700 0.012 0.000 0.984 601 T CA -0.583 61.511 62.100 -0.010 0.000 0.988 601 T CB 1.438 70.300 68.868 -0.009 0.000 1.040 601 T HN 0.692 nan 8.240 nan 0.000 0.528 602 Q N 0.481 120.288 119.800 0.011 0.000 2.135 602 Q HA -0.254 4.087 4.340 0.001 0.000 0.204 602 Q C 2.151 178.172 176.000 0.034 0.000 0.981 602 Q CA 1.731 57.549 55.803 0.024 0.000 0.856 602 Q CB -0.243 28.502 28.738 0.012 0.000 0.902 602 Q HN 0.806 nan 8.270 nan 0.000 0.425 603 N N 0.148 118.860 118.700 0.021 0.000 2.166 603 N HA -0.194 4.547 4.740 0.001 0.000 0.186 603 N C 1.019 176.546 175.510 0.028 0.000 1.019 603 N CA 1.302 54.364 53.050 0.020 0.000 0.856 603 N CB 0.040 38.533 38.487 0.010 0.000 0.993 603 N HN 0.406 nan 8.380 nan 0.000 0.426 604 E N -0.098 120.120 120.200 0.029 0.000 2.427 604 E HA -0.058 4.293 4.350 0.001 0.000 0.196 604 E C 1.950 178.589 176.600 0.066 0.000 1.028 604 E CA 0.575 56.993 56.400 0.030 0.000 0.864 604 E CB 0.145 29.853 29.700 0.014 0.000 0.813 604 E HN 0.457 nan 8.360 nan 0.000 0.514 605 S N -0.003 115.762 115.700 0.108 0.000 2.406 605 S HA -0.114 4.357 4.470 0.001 0.000 0.228 605 S C 2.055 176.781 174.600 0.210 0.000 1.020 605 S CA 1.191 59.522 58.200 0.219 0.000 0.965 605 S CB -0.354 62.977 63.200 0.219 0.000 0.798 605 S HN 0.064 nan 8.310 nan 0.000 0.488 606 T N 2.747 117.375 114.554 0.123 0.000 2.746 606 T HA 0.103 4.454 4.350 0.001 0.000 0.267 606 T C 2.146 176.892 174.700 0.076 0.000 1.039 606 T CA 1.389 63.551 62.100 0.104 0.000 1.142 606 T CB -0.749 68.158 68.868 0.065 0.000 0.866 606 T HN 0.634 nan 8.240 nan 0.000 0.444 607 A N 0.576 123.420 122.820 0.041 0.000 2.066 607 A HA 0.118 4.438 4.320 0.001 0.000 0.218 607 A C 2.191 179.758 177.584 -0.028 0.000 1.157 607 A CA 0.795 52.837 52.037 0.009 0.000 0.670 607 A CB -0.621 18.375 19.000 -0.006 0.000 0.804 607 A HN 0.544 nan 8.150 nan 0.000 0.453 608 I N -2.794 117.733 120.570 -0.072 0.000 2.429 608 I HA -0.038 4.132 4.170 0.001 0.000 0.247 608 I C 1.532 177.444 176.117 -0.342 0.000 1.099 608 I CA 1.142 62.272 61.300 -0.284 0.000 1.422 608 I CB -0.089 37.629 38.000 -0.470 0.000 1.112 608 I HN 0.302 nan 8.210 nan 0.000 0.430 609 F N 0.062 120.083 119.950 0.117 0.000 2.682 609 F HA 0.358 4.885 4.527 0.001 0.000 0.308 609 F C 1.606 177.437 175.800 0.051 0.000 1.093 609 F CA 0.304 58.353 58.000 0.082 0.000 1.244 609 F CB 0.755 39.791 39.000 0.060 0.000 1.052 609 F HN 0.122 nan 8.300 nan 0.000 0.573 610 G N 1.182 110.090 108.800 0.180 0.000 2.143 610 G HA2 -0.285 3.675 3.960 0.001 0.000 0.248 610 G HA3 -0.285 3.675 3.960 0.001 0.000 0.248 610 G C -0.033 174.931 174.900 0.106 0.000 0.991 610 G CA 0.415 45.585 45.100 0.116 0.000 0.689 610 G HN 0.419 nan 8.290 nan 0.000 0.522 611 E N -0.802 119.479 120.200 0.135 0.000 2.400 611 E HA 0.392 4.742 4.350 0.001 0.000 0.285 611 E C -0.662 176.002 176.600 0.106 0.000 1.005 611 E CA -0.493 55.965 56.400 0.096 0.000 0.816 611 E CB 0.743 30.492 29.700 0.081 0.000 1.220 611 E HN 0.054 nan 8.360 nan 0.000 0.426 612 T N 3.840 118.433 114.554 0.066 0.000 2.752 612 T HA 0.372 4.722 4.350 0.001 0.000 0.295 612 T C -0.071 174.649 174.700 0.033 0.000 0.923 612 T CA 0.299 62.433 62.100 0.057 0.000 1.112 612 T CB -0.244 68.645 68.868 0.035 0.000 0.884 612 T HN 0.233 nan 8.240 nan 0.000 0.525 613 I N 2.868 123.461 120.570 0.039 0.000 2.466 613 I HA 0.220 4.391 4.170 0.001 0.000 0.289 613 I C 0.431 176.540 176.117 -0.013 0.000 1.026 613 I CA -0.780 60.509 61.300 -0.019 0.000 1.078 613 I CB 2.159 40.099 38.000 -0.100 0.000 1.249 613 I HN 0.461 nan 8.210 nan 0.000 0.429 614 T N 7.192 121.729 114.554 -0.029 0.000 2.834 614 T HA 0.180 4.530 4.350 0.001 0.000 0.298 614 T C -2.374 172.295 174.700 -0.051 0.000 0.966 614 T CA -0.841 61.242 62.100 -0.028 0.000 1.141 614 T CB 0.272 69.125 68.868 -0.024 0.000 0.905 614 T HN 0.246 nan 8.240 nan 0.000 0.535 615 P HA 0.157 nan 4.420 nan 0.000 0.264 615 P C -0.479 176.775 177.300 -0.078 0.000 1.183 615 P CA -0.234 62.819 63.100 -0.079 0.000 0.763 615 P CB 0.269 31.934 31.700 -0.058 0.000 0.807 616 A N 3.498 126.234 122.820 -0.141 0.000 2.567 616 A HA 0.291 4.611 4.320 0.001 0.000 0.240 616 A C 0.789 178.425 177.584 0.086 0.000 1.053 616 A CA 0.182 52.177 52.037 -0.070 0.000 0.755 616 A CB -0.523 18.325 19.000 -0.255 0.000 0.978 616 A HN 0.602 nan 8.150 nan 0.000 0.507 617 S N 2.760 118.521 115.700 0.102 0.000 2.614 617 S HA 0.539 5.009 4.470 0.001 0.000 0.265 617 S C 0.109 174.827 174.600 0.196 0.000 1.303 617 S CA -0.809 57.456 58.200 0.109 0.000 1.000 617 S CB 0.335 63.554 63.200 0.032 0.000 0.935 617 S HN 0.555 nan 8.310 nan 0.000 0.551 618 L N 2.436 123.700 121.223 0.069 0.000 2.490 618 L HA 0.254 4.595 4.340 0.001 0.000 0.274 618 L C -1.819 174.997 176.870 -0.090 0.000 1.201 618 L CA -1.556 53.230 54.840 -0.090 0.000 0.869 618 L CB -0.318 41.629 42.059 -0.187 0.000 1.123 618 L HN 0.524 nan 8.230 nan 0.000 0.484 619 P HA 0.064 nan 4.420 nan 0.000 0.269 619 P C -1.137 176.141 177.300 -0.037 0.000 1.209 619 P CA -0.266 62.794 63.100 -0.066 0.000 0.776 619 P CB 0.807 32.391 31.700 -0.194 0.000 0.876 620 Q N 0.623 120.462 119.800 0.066 0.000 2.387 620 Q HA 0.656 4.997 4.340 0.001 0.000 0.273 620 Q C 0.590 176.644 176.000 0.091 0.000 1.089 620 Q CA -0.306 55.518 55.803 0.035 0.000 0.824 620 Q CB 2.462 31.186 28.738 -0.024 0.000 1.367 620 Q HN 0.881 nan 8.270 nan 0.000 0.443 621 G N 0.913 109.703 108.800 -0.017 0.000 2.416 621 G HA2 -0.147 3.813 3.960 0.001 0.000 0.203 621 G HA3 -0.147 3.813 3.960 0.001 0.000 0.203 621 G C -1.759 173.084 174.900 -0.095 0.000 1.227 621 G CA -0.694 44.333 45.100 -0.122 0.000 1.041 621 G HN 0.435 nan 8.290 nan 0.000 0.546 622 F N 0.495 120.192 119.950 -0.420 0.000 2.540 622 F HA 0.797 5.325 4.527 0.001 0.000 0.317 622 F C -1.110 174.349 175.800 -0.569 0.000 1.104 622 F CA -0.947 56.925 58.000 -0.213 0.000 0.913 622 F CB 1.897 40.896 39.000 -0.002 0.000 1.170 622 F HN 0.524 nan 8.300 nan 0.000 0.450 623 Y N 3.880 123.910 120.300 -0.450 0.000 2.354 623 Y HA 0.657 5.208 4.550 0.001 0.000 0.330 623 Y C -0.221 175.307 175.900 -0.621 0.000 1.011 623 Y CA -1.191 56.670 58.100 -0.398 0.000 1.099 623 Y CB 1.644 39.919 38.460 -0.308 0.000 1.179 623 Y HN 0.728 nan 8.280 nan 0.000 0.442 624 A N 3.363 125.965 122.820 -0.362 0.000 2.301 624 A HA 0.774 5.095 4.320 0.001 0.000 0.298 624 A C -1.214 175.954 177.584 -0.693 0.000 1.185 624 A CA -0.340 51.517 52.037 -0.301 0.000 0.830 624 A CB -0.023 18.944 19.000 -0.056 0.000 1.112 624 A HN 0.708 nan 8.150 nan 0.000 0.508 625 F N 2.336 122.039 119.950 -0.412 0.000 2.622 625 F HA 0.237 4.764 4.527 0.001 0.000 0.338 625 F C 0.998 176.502 175.800 -0.494 0.000 1.334 625 F CA -0.649 56.994 58.000 -0.595 0.000 1.179 625 F CB 0.965 39.126 39.000 -1.398 0.000 1.471 625 F HN 0.609 nan 8.300 nan 0.000 0.576 626 N N 0.980 119.620 118.700 -0.099 0.000 2.573 626 N HA -0.088 4.652 4.740 0.001 0.000 0.187 626 N C 2.117 177.607 175.510 -0.033 0.000 1.107 626 N CA 0.814 53.810 53.050 -0.091 0.000 0.918 626 N CB 0.123 38.533 38.487 -0.127 0.000 0.966 626 N HN 0.698 nan 8.380 nan 0.000 0.448 627 G N 0.176 109.073 108.800 0.162 0.000 2.462 627 G HA2 -0.160 3.800 3.960 0.001 0.000 0.220 627 G HA3 -0.160 3.800 3.960 0.001 0.000 0.220 627 G C 1.146 176.185 174.900 0.232 0.000 1.121 627 G CA 0.983 46.373 45.100 0.483 0.000 0.758 627 G HN 0.403 nan 8.290 nan 0.000 0.559 628 G N -1.345 107.542 108.800 0.144 0.000 3.651 628 G HA2 0.479 4.439 3.960 0.001 0.000 0.279 628 G HA3 0.479 4.439 3.960 0.001 0.000 0.279 628 G C 0.801 175.798 174.900 0.163 0.000 1.024 628 G CA 0.567 45.735 45.100 0.115 0.000 0.813 628 G HN 1.189 nan 8.290 nan 0.000 0.518 629 A N -0.670 122.179 122.820 0.049 0.000 2.748 629 A HA -0.104 4.216 4.320 0.001 0.000 0.297 629 A C 0.322 177.984 177.584 0.129 0.000 1.508 629 A CA 1.424 53.475 52.037 0.024 0.000 0.799 629 A CB -2.535 16.465 19.000 0.001 0.000 1.011 629 A HN 1.654 nan 8.150 nan 0.000 0.500 630 F N -2.855 117.100 119.950 0.007 0.000 2.654 630 F HA 0.905 5.433 4.527 0.001 0.000 0.334 630 F C 0.428 176.312 175.800 0.140 0.000 1.078 630 F CA -0.745 57.281 58.000 0.044 0.000 0.986 630 F CB 1.036 40.023 39.000 -0.022 0.000 1.362 630 F HN 0.668 nan 8.300 nan 0.000 0.498 631 G N 0.921 109.891 108.800 0.282 0.000 2.690 631 G HA2 0.636 4.596 3.960 0.001 0.000 0.293 631 G HA3 0.636 4.596 3.960 0.001 0.000 0.293 631 G C -2.279 172.638 174.900 0.029 0.000 1.399 631 G CA -0.906 44.217 45.100 0.038 0.000 0.890 631 G HN 0.597 nan 8.290 nan 0.000 0.485 632 I N 1.193 121.578 120.570 -0.308 0.000 2.447 632 I HA 0.311 4.481 4.170 0.001 0.000 0.287 632 I C -0.894 175.001 176.117 -0.370 0.000 1.023 632 I CA -0.820 60.422 61.300 -0.097 0.000 1.083 632 I CB 1.577 39.697 38.000 0.200 0.000 1.245 632 I HN 0.621 nan 8.210 nan 0.000 0.434 633 H N 6.788 125.778 119.070 -0.134 0.000 2.467 633 H HA 0.595 5.152 4.556 0.001 0.000 0.326 633 H C -0.839 174.574 175.328 0.142 0.000 1.094 633 H CA -0.287 55.821 56.048 0.101 0.000 1.253 633 H CB 1.050 30.997 29.762 0.309 0.000 1.439 633 H HN 0.446 nan 8.280 nan 0.000 0.479 634 R N 4.159 124.426 120.500 -0.387 0.000 2.561 634 R HA 0.253 4.593 4.340 0.001 0.000 0.297 634 R C -1.502 174.705 176.300 -0.154 0.000 0.969 634 R CA -0.890 55.106 56.100 -0.173 0.000 0.879 634 R CB 2.175 32.431 30.300 -0.073 0.000 1.178 634 R HN 0.642 nan 8.270 nan 0.000 0.445 635 W N 5.303 126.493 121.300 -0.183 0.000 3.132 635 W HA 0.146 4.806 4.660 0.001 0.000 0.337 635 W C -0.521 175.978 176.519 -0.033 0.000 1.082 635 W CA -0.223 57.069 57.345 -0.088 0.000 1.242 635 W CB 1.178 30.638 29.460 -0.000 0.000 1.354 635 W HN 0.811 nan 8.180 nan 0.000 0.461 636 Q N 1.487 120.931 119.800 -0.593 0.000 1.918 636 Q HA -0.357 3.984 4.340 0.001 0.000 0.390 636 Q C 0.963 176.847 176.000 -0.192 0.000 0.761 636 Q CA 2.454 57.991 55.803 -0.444 0.000 0.885 636 Q CB -1.195 27.285 28.738 -0.431 0.000 3.219 636 Q HN 0.691 nan 8.270 nan 0.000 0.778 637 D N 0.996 121.334 120.400 -0.104 0.000 2.340 637 D HA 0.140 4.781 4.640 0.001 0.000 0.217 637 D C -0.248 176.037 176.300 -0.026 0.000 1.081 637 D CA 0.451 54.411 54.000 -0.067 0.000 0.842 637 D CB 0.218 40.992 40.800 -0.044 0.000 0.934 637 D HN 0.160 nan 8.370 nan 0.000 0.511 638 K N 0.374 120.788 120.400 0.023 0.000 2.123 638 K HA 0.478 4.798 4.320 0.001 0.000 0.259 638 K C -0.232 176.401 176.600 0.055 0.000 0.960 638 K CA -0.718 55.614 56.287 0.074 0.000 0.872 638 K CB 2.425 35.020 32.500 0.158 0.000 1.079 638 K HN 0.079 nan 8.250 nan 0.000 0.440 639 M N 1.900 121.535 119.600 0.057 0.000 2.464 639 M HA 0.392 4.872 4.480 0.001 0.000 0.308 639 M C -1.748 174.621 176.300 0.115 0.000 1.127 639 M CA -0.840 54.491 55.300 0.051 0.000 0.913 639 M CB 1.820 34.410 32.600 -0.017 0.000 1.689 639 M HN 0.285 nan 8.290 nan 0.000 0.445 640 V N 3.144 123.156 119.914 0.163 0.000 2.409 640 V HA 0.407 4.528 4.120 0.001 0.000 0.291 640 V C -0.239 175.960 176.094 0.174 0.000 1.020 640 V CA -0.549 61.875 62.300 0.206 0.000 0.848 640 V CB 1.611 33.608 31.823 0.289 0.000 0.990 640 V HN 0.934 nan 8.190 nan 0.000 0.430 641 T N 6.964 121.597 114.554 0.131 0.000 2.727 641 T HA 0.490 4.840 4.350 0.001 0.000 0.298 641 T C -0.099 174.694 174.700 0.155 0.000 0.942 641 T CA -0.124 62.042 62.100 0.110 0.000 0.997 641 T CB 0.093 68.947 68.868 -0.024 0.000 0.917 641 T HN 0.343 nan 8.240 nan 0.000 0.487 642 L N 4.184 125.535 121.223 0.214 0.000 2.264 642 L HA 0.561 4.901 4.340 0.001 0.000 0.289 642 L C 0.292 177.279 176.870 0.195 0.000 1.044 642 L CA -0.508 54.464 54.840 0.219 0.000 0.807 642 L CB 1.001 43.217 42.059 0.262 0.000 1.192 642 L HN 0.460 nan 8.230 nan 0.000 0.425 643 K N 2.810 123.278 120.400 0.112 0.000 2.513 643 K HA 0.768 5.088 4.320 0.001 0.000 0.251 643 K C -1.263 175.293 176.600 -0.073 0.000 0.939 643 K CA -0.357 55.968 56.287 0.062 0.000 0.793 643 K CB 2.302 34.800 32.500 -0.005 0.000 1.241 643 K HN 0.670 nan 8.250 nan 0.000 0.431 644 A N 2.552 125.318 122.820 -0.091 0.000 2.578 644 A HA 0.868 5.189 4.320 0.001 0.000 0.255 644 A C -1.563 176.040 177.584 0.032 0.000 1.251 644 A CA -0.556 51.308 52.037 -0.289 0.000 0.882 644 A CB 0.534 19.425 19.000 -0.181 0.000 1.416 644 A HN 0.807 nan 8.150 nan 0.000 0.462 645 Y N -2.229 118.033 120.300 -0.063 0.000 2.725 645 Y HA 0.695 5.246 4.550 0.001 0.000 0.333 645 Y C -0.860 175.119 175.900 0.131 0.000 1.242 645 Y CA -0.674 57.444 58.100 0.030 0.000 1.059 645 Y CB 0.853 39.352 38.460 0.065 0.000 1.306 645 Y HN 1.048 nan 8.280 nan 0.000 0.454 646 N N -2.835 115.937 118.700 0.119 0.000 3.441 646 N HA 0.207 4.948 4.740 0.001 0.000 0.313 646 N C 0.127 175.710 175.510 0.122 0.000 1.526 646 N CA -0.310 52.753 53.050 0.022 0.000 0.871 646 N CB 0.214 38.702 38.487 0.000 0.000 1.779 646 N HN 0.742 nan 8.380 nan 0.000 0.529 647 T N -2.893 111.716 114.554 0.093 0.000 2.803 647 T HA -0.097 4.254 4.350 0.001 0.000 0.269 647 T C 0.685 175.459 174.700 0.124 0.000 1.052 647 T CA 1.422 63.592 62.100 0.116 0.000 1.136 647 T CB -0.570 68.354 68.868 0.093 0.000 0.864 647 T HN 0.515 nan 8.240 nan 0.000 0.467 648 N N 0.754 119.509 118.700 0.092 0.000 2.353 648 N HA 0.181 4.922 4.740 0.001 0.000 0.185 648 N C -0.459 175.059 175.510 0.012 0.000 1.098 648 N CA 0.137 53.246 53.050 0.098 0.000 0.872 648 N CB 0.907 39.449 38.487 0.090 0.000 0.970 648 N HN 0.315 nan 8.380 nan 0.000 0.467 649 V N 3.075 122.971 119.914 -0.031 0.000 2.409 649 V HA 0.251 4.372 4.120 0.001 0.000 0.290 649 V C -0.274 175.771 176.094 -0.081 0.000 1.017 649 V CA -1.170 60.983 62.300 -0.246 0.000 0.841 649 V CB 1.205 32.923 31.823 -0.175 0.000 1.003 649 V HN 0.144 nan 8.190 nan 0.000 0.426 650 W N 3.292 124.592 121.300 0.001 0.000 2.158 650 W HA 0.242 4.903 4.660 0.001 0.000 0.339 650 W C 1.162 177.625 176.519 -0.094 0.000 1.294 650 W CA -0.026 57.315 57.345 -0.008 0.000 1.231 650 W CB 0.014 29.444 29.460 -0.050 0.000 1.143 650 W HN 0.729 nan 8.180 nan 0.000 0.571 651 S N 0.990 116.695 115.700 0.008 0.000 2.406 651 S HA -0.040 4.430 4.470 0.001 0.000 0.228 651 S C 0.670 175.239 174.600 -0.051 0.000 1.020 651 S CA 0.807 58.775 58.200 -0.388 0.000 0.965 651 S CB -0.499 62.045 63.200 -1.093 0.000 0.798 651 S HN 0.589 nan 8.310 nan 0.000 0.488 652 S N -0.505 115.256 115.700 0.101 0.000 2.552 652 S HA 0.506 4.976 4.470 0.001 0.000 0.272 652 S C -1.510 173.022 174.600 -0.114 0.000 1.150 652 S CA -0.991 57.229 58.200 0.035 0.000 0.849 652 S CB 1.665 64.817 63.200 -0.080 0.000 1.113 652 S HN 0.381 nan 8.310 nan 0.000 0.458 653 E N 1.396 121.404 120.200 -0.320 0.000 2.113 653 E HA 0.613 4.963 4.350 0.001 0.000 0.273 653 E C -1.254 175.136 176.600 -0.349 0.000 0.924 653 E CA -0.744 55.354 56.400 -0.503 0.000 0.764 653 E CB 0.677 29.954 29.700 -0.705 0.000 1.104 653 E HN 0.651 nan 8.360 nan 0.000 0.406 654 I N 5.073 125.511 120.570 -0.220 0.000 2.436 654 I HA 0.321 4.491 4.170 0.001 0.000 0.289 654 I C -0.936 175.221 176.117 0.066 0.000 1.010 654 I CA -0.939 60.267 61.300 -0.156 0.000 1.098 654 I CB 0.900 38.806 38.000 -0.156 0.000 1.266 654 I HN 0.525 nan 8.210 nan 0.000 0.434 655 Y N 3.033 123.228 120.300 -0.175 0.000 2.631 655 Y HA 0.261 4.811 4.550 0.001 0.000 0.328 655 Y C 1.247 177.054 175.900 -0.155 0.000 1.118 655 Y CA -1.584 56.437 58.100 -0.131 0.000 1.206 655 Y CB 0.684 39.087 38.460 -0.094 0.000 1.337 655 Y HN 0.550 nan 8.280 nan 0.000 0.515 656 N N 0.909 119.606 118.700 -0.006 0.000 2.096 656 N HA -0.233 4.507 4.740 0.001 0.000 0.195 656 N C 0.074 175.518 175.510 -0.110 0.000 1.017 656 N CA 2.114 55.073 53.050 -0.152 0.000 0.870 656 N CB 0.032 38.422 38.487 -0.161 0.000 1.024 656 N HN 0.528 nan 8.380 nan 0.000 0.434 657 K N -0.400 119.988 120.400 -0.019 0.000 3.123 657 K HA 0.236 4.556 4.320 0.001 0.000 0.209 657 K C -1.288 175.304 176.600 -0.013 0.000 1.132 657 K CA -0.240 56.029 56.287 -0.029 0.000 0.992 657 K CB 0.779 33.279 32.500 0.000 0.000 0.773 657 K HN 0.151 nan 8.250 nan 0.000 0.458 658 D N 0.657 121.026 120.400 -0.052 0.000 2.947 658 D HA 0.066 4.706 4.640 0.001 0.000 0.224 658 D C -0.555 175.613 176.300 -0.220 0.000 1.230 658 D CA -0.546 53.379 54.000 -0.125 0.000 0.871 658 D CB 1.627 42.300 40.800 -0.211 0.000 1.671 658 D HN 0.003 nan 8.370 nan 0.000 0.507 659 N N 1.234 119.788 118.700 -0.244 0.000 2.735 659 N HA -0.199 4.541 4.740 0.001 0.000 0.248 659 N C 0.882 176.132 175.510 -0.433 0.000 1.083 659 N CA 0.346 53.207 53.050 -0.315 0.000 0.703 659 N CB -0.331 37.989 38.487 -0.278 0.000 1.005 659 N HN 0.357 nan 8.380 nan 0.000 0.550 660 R N -0.635 119.527 120.500 -0.563 0.000 2.127 660 R HA -0.086 4.254 4.340 0.001 0.000 0.238 660 R C 0.716 176.495 176.300 -0.869 0.000 1.134 660 R CA 1.611 57.261 56.100 -0.749 0.000 0.975 660 R CB -0.447 29.259 30.300 -0.990 0.000 0.865 660 R HN 0.650 nan 8.270 nan 0.000 0.447 661 Y N -1.079 118.825 120.300 -0.660 0.000 2.708 661 Y HA 0.292 4.843 4.550 0.001 0.000 0.287 661 Y C 1.698 177.274 175.900 -0.540 0.000 1.145 661 Y CA -0.214 57.459 58.100 -0.711 0.000 1.249 661 Y CB 0.460 38.193 38.460 -1.212 0.000 1.152 661 Y HN 0.009 nan 8.280 nan 0.000 0.532 662 G N 0.102 108.701 108.800 -0.334 0.000 3.124 662 G HA2 -0.088 3.873 3.960 0.001 0.000 0.212 662 G HA3 -0.088 3.873 3.960 0.001 0.000 0.212 662 G C 1.590 176.400 174.900 -0.150 0.000 1.181 662 G CA -0.187 44.812 45.100 -0.169 0.000 0.803 662 G HN 0.353 nan 8.290 nan 0.000 0.529 663 R N -0.365 119.965 120.500 -0.284 0.000 2.117 663 R HA -0.148 4.192 4.340 0.001 0.000 0.243 663 R C 0.972 177.090 176.300 -0.303 0.000 1.143 663 R CA 1.335 57.212 56.100 -0.372 0.000 0.968 663 R CB -0.255 29.609 30.300 -0.726 0.000 0.863 663 R HN 0.561 nan 8.270 nan 0.000 0.444 664 Y N -0.384 119.837 120.300 -0.132 0.000 2.532 664 Y HA 0.087 4.638 4.550 0.001 0.000 0.283 664 Y C 1.915 177.846 175.900 0.050 0.000 1.181 664 Y CA -0.479 57.501 58.100 -0.200 0.000 1.256 664 Y CB 0.254 38.630 38.460 -0.140 0.000 1.112 664 Y HN 0.231 nan 8.280 nan 0.000 0.521 665 Q N 0.475 120.367 119.800 0.153 0.000 2.248 665 Q HA -0.171 4.170 4.340 0.001 0.000 0.208 665 Q C 0.912 176.966 176.000 0.089 0.000 0.984 665 Q CA 1.662 57.525 55.803 0.100 0.000 0.875 665 Q CB 0.071 28.814 28.738 0.009 0.000 0.910 665 Q HN 0.223 nan 8.270 nan 0.000 0.433 666 S N -0.815 114.968 115.700 0.138 0.000 2.843 666 S HA 0.135 4.605 4.470 0.001 0.000 0.249 666 S C -0.955 173.738 174.600 0.155 0.000 1.047 666 S CA -0.439 57.824 58.200 0.105 0.000 1.042 666 S CB 0.381 63.618 63.200 0.062 0.000 0.936 666 S HN 0.307 nan 8.310 nan 0.000 0.531 667 H N 1.838 120.971 119.070 0.105 0.000 3.001 667 H HA 0.376 4.933 4.556 0.001 0.000 0.248 667 H C 1.336 176.641 175.328 -0.039 0.000 1.663 667 H CA -0.040 56.115 56.048 0.178 0.000 1.258 667 H CB -0.799 29.219 29.762 0.427 0.000 1.547 667 H HN 0.491 nan 8.280 nan 0.000 0.557 668 G N 0.752 109.224 108.800 -0.547 0.000 2.272 668 G HA2 -0.264 3.696 3.960 0.001 0.000 0.280 668 G HA3 -0.264 3.696 3.960 0.001 0.000 0.280 668 G C 0.440 175.436 174.900 0.159 0.000 1.067 668 G CA 0.310 45.304 45.100 -0.176 0.000 0.902 668 G HN 0.557 nan 8.290 nan 0.000 0.500 669 V N -2.874 117.118 119.914 0.130 0.000 3.185 669 V HA 0.805 4.925 4.120 0.001 0.000 0.305 669 V C 0.754 177.001 176.094 0.255 0.000 1.090 669 V CA 0.038 62.465 62.300 0.211 0.000 1.107 669 V CB 1.837 33.757 31.823 0.161 0.000 1.061 669 V HN 1.963 nan 8.190 nan 0.000 0.480 670 A N 2.483 125.494 122.820 0.318 0.000 3.158 670 A HA 0.386 4.707 4.320 0.001 0.000 0.302 670 A C -0.213 177.575 177.584 0.340 0.000 1.162 670 A CA -0.431 51.830 52.037 0.374 0.000 0.824 670 A CB 0.279 19.665 19.000 0.642 0.000 1.322 670 A HN 0.908 nan 8.150 nan 0.000 0.510 671 Q N 2.014 121.949 119.800 0.225 0.000 2.295 671 Q HA 0.458 4.799 4.340 0.001 0.000 0.259 671 Q C -0.943 175.180 176.000 0.206 0.000 0.976 671 Q CA -0.034 55.886 55.803 0.196 0.000 0.923 671 Q CB 0.522 29.251 28.738 -0.015 0.000 1.185 671 Q HN 0.687 nan 8.270 nan 0.000 0.410 672 I N 4.119 124.880 120.570 0.318 0.000 2.342 672 I HA 0.254 4.424 4.170 0.001 0.000 0.291 672 I C -0.604 175.681 176.117 0.279 0.000 1.010 672 I CA -0.655 60.817 61.300 0.288 0.000 1.308 672 I CB 1.469 39.665 38.000 0.326 0.000 1.400 672 I HN 0.292 nan 8.210 nan 0.000 0.488 673 V N 5.284 125.301 119.914 0.172 0.000 2.525 673 V HA 0.293 4.413 4.120 0.001 0.000 0.299 673 V C 0.051 176.208 176.094 0.105 0.000 1.034 673 V CA -0.640 61.745 62.300 0.142 0.000 0.863 673 V CB 1.945 33.781 31.823 0.021 0.000 0.999 673 V HN 0.878 nan 8.190 nan 0.000 0.423 674 S N 3.547 119.315 115.700 0.114 0.000 2.617 674 S HA 0.306 4.777 4.470 0.001 0.000 0.269 674 S C 0.150 174.770 174.600 0.034 0.000 1.292 674 S CA -0.640 57.600 58.200 0.067 0.000 1.010 674 S CB 0.880 64.122 63.200 0.069 0.000 0.944 674 S HN 0.786 nan 8.310 nan 0.000 0.536 675 N N 1.019 119.719 118.700 -0.000 0.000 2.447 675 N HA 0.381 5.122 4.740 0.001 0.000 0.263 675 N C 0.376 175.888 175.510 0.003 0.000 1.226 675 N CA 1.268 54.306 53.050 -0.022 0.000 0.906 675 N CB -0.142 38.317 38.487 -0.047 0.000 1.060 675 N HN 1.097 nan 8.380 nan 0.000 0.468 676 G N 1.376 110.181 108.800 0.008 0.000 2.331 676 G HA2 -0.143 3.818 3.960 0.001 0.000 0.402 676 G HA3 -0.143 3.818 3.960 0.001 0.000 0.402 676 G C -1.007 173.916 174.900 0.038 0.000 1.275 676 G CA -0.437 44.676 45.100 0.022 0.000 1.003 676 G HN 0.597 nan 8.290 nan 0.000 0.500 677 S N -0.565 115.163 115.700 0.046 0.000 2.525 677 S HA 0.199 4.670 4.470 0.001 0.000 0.285 677 S C 1.537 176.196 174.600 0.099 0.000 1.283 677 S CA 0.934 59.171 58.200 0.062 0.000 1.072 677 S CB 0.858 64.094 63.200 0.059 0.000 0.867 677 S HN 0.587 nan 8.310 nan 0.000 0.492 678 Q N 2.833 122.700 119.800 0.112 0.000 2.167 678 Q HA -0.078 4.263 4.340 0.001 0.000 0.202 678 Q C 1.813 177.982 176.000 0.282 0.000 0.970 678 Q CA 1.033 56.964 55.803 0.214 0.000 0.855 678 Q CB -0.175 28.618 28.738 0.092 0.000 0.911 678 Q HN 0.796 nan 8.270 nan 0.000 0.438 679 L N 0.190 121.528 121.223 0.192 0.000 2.083 679 L HA -0.130 4.211 4.340 0.001 0.000 0.209 679 L C 2.000 178.945 176.870 0.124 0.000 1.083 679 L CA 1.728 56.674 54.840 0.176 0.000 0.752 679 L CB -0.527 41.607 42.059 0.125 0.000 0.899 679 L HN -0.019 nan 8.230 nan 0.000 0.433 680 S N -0.783 114.976 115.700 0.097 0.000 2.442 680 S HA -0.174 4.296 4.470 0.001 0.000 0.236 680 S C 1.618 176.245 174.600 0.044 0.000 1.007 680 S CA 1.093 59.328 58.200 0.058 0.000 0.965 680 S CB -0.256 62.973 63.200 0.049 0.000 0.773 680 S HN 0.622 nan 8.310 nan 0.000 0.504 681 Q N -0.400 119.449 119.800 0.082 0.000 2.320 681 Q HA 0.291 4.632 4.340 0.001 0.000 0.201 681 Q C 1.186 177.134 176.000 -0.086 0.000 0.910 681 Q CA 0.275 56.092 55.803 0.023 0.000 0.946 681 Q CB 0.555 29.384 28.738 0.152 0.000 1.062 681 Q HN 0.549 nan 8.270 nan 0.000 0.503 682 G N 0.368 109.174 108.800 0.010 0.000 2.157 682 G HA2 -0.290 3.671 3.960 0.001 0.000 0.239 682 G HA3 -0.290 3.671 3.960 0.001 0.000 0.239 682 G C -0.365 174.625 174.900 0.149 0.000 0.982 682 G CA -0.482 44.644 45.100 0.042 0.000 0.650 682 G HN 0.413 nan 8.290 nan 0.000 0.527 683 Y N 1.475 121.961 120.300 0.311 0.000 2.632 683 Y HA 0.467 5.017 4.550 0.001 0.000 0.336 683 Y C 0.904 177.005 175.900 0.335 0.000 1.237 683 Y CA 0.139 58.448 58.100 0.348 0.000 1.595 683 Y CB 0.589 39.141 38.460 0.153 0.000 1.508 683 Y HN 0.347 nan 8.280 nan 0.000 0.480 684 Q N 2.672 122.701 119.800 0.381 0.000 2.322 684 Q HA 0.150 4.491 4.340 0.001 0.000 0.265 684 Q C 0.722 176.530 176.000 -0.320 0.000 0.985 684 Q CA -0.490 55.359 55.803 0.077 0.000 0.849 684 Q CB 1.636 30.438 28.738 0.106 0.000 1.274 684 Q HN 0.756 nan 8.270 nan 0.000 0.449 685 Q N 2.607 121.893 119.800 -0.857 0.000 2.084 685 Q HA -0.132 4.208 4.340 0.001 0.000 0.202 685 Q C -0.509 175.272 176.000 -0.365 0.000 0.978 685 Q CA 1.285 56.393 55.803 -1.157 0.000 0.844 685 Q CB 0.316 28.601 28.738 -0.756 0.000 0.898 685 Q HN 0.652 nan 8.270 nan 0.000 0.426 686 E N -0.565 119.569 120.200 -0.109 0.000 2.406 686 E HA 0.157 4.508 4.350 0.001 0.000 0.258 686 E C 0.466 177.156 176.600 0.150 0.000 1.043 686 E CA 1.004 57.419 56.400 0.025 0.000 0.929 686 E CB 0.277 29.999 29.700 0.037 0.000 0.969 686 E HN 0.493 nan 8.360 nan 0.000 0.462 687 G N 3.144 111.969 108.800 0.042 0.000 2.184 687 G HA2 -0.289 3.672 3.960 0.001 0.000 0.264 687 G HA3 -0.289 3.672 3.960 0.001 0.000 0.264 687 G C -0.171 174.465 174.900 -0.440 0.000 0.975 687 G CA -0.087 45.001 45.100 -0.019 0.000 0.642 687 G HN 0.604 nan 8.290 nan 0.000 0.536 688 W N 2.333 123.207 121.300 -0.710 0.000 2.322 688 W HA 0.439 5.100 4.660 0.001 0.000 0.328 688 W C -0.486 175.478 176.519 -0.925 0.000 1.395 688 W CA 0.419 57.118 57.345 -1.076 0.000 1.267 688 W CB 0.672 29.551 29.460 -0.968 0.000 1.259 688 W HN 0.156 nan 8.180 nan 0.000 0.560 689 D N 5.910 125.515 120.400 -1.325 0.000 2.374 689 D HA -0.026 4.615 4.640 0.001 0.000 0.240 689 D C 0.693 176.650 176.300 -0.571 0.000 1.229 689 D CA -0.139 53.380 54.000 -0.801 0.000 0.895 689 D CB 0.028 40.402 40.800 -0.710 0.000 1.046 689 D HN 0.459 nan 8.370 nan 0.000 0.498 690 W N 2.824 124.062 121.300 -0.103 0.000 2.468 690 W HA -0.058 4.602 4.660 0.001 0.000 0.262 690 W C 1.905 178.489 176.519 0.108 0.000 1.241 690 W CA -0.242 57.206 57.345 0.172 0.000 1.232 690 W CB -0.054 29.463 29.460 0.095 0.000 1.124 690 W HN 0.410 nan 8.180 nan 0.000 0.597 691 N N 0.499 119.245 118.700 0.077 0.000 2.309 691 N HA -0.064 4.676 4.740 0.001 0.000 0.182 691 N C 0.515 176.002 175.510 -0.039 0.000 1.018 691 N CA 0.995 54.053 53.050 0.014 0.000 0.876 691 N CB -0.223 37.949 38.487 -0.524 0.000 0.972 691 N HN 0.230 nan 8.380 nan 0.000 0.434 692 R N 0.757 121.181 120.500 -0.127 0.000 3.301 692 R HA 0.278 4.619 4.340 0.001 0.000 0.286 692 R C -0.382 175.912 176.300 -0.009 0.000 1.386 692 R CA -0.325 55.665 56.100 -0.184 0.000 1.607 692 R CB 0.394 30.444 30.300 -0.416 0.000 1.305 692 R HN -0.046 nan 8.270 nan 0.000 0.637 693 M N 1.225 120.943 119.600 0.197 0.000 2.185 693 M HA 0.120 4.600 4.480 0.001 0.000 0.357 693 M C 0.521 176.985 176.300 0.274 0.000 1.260 693 M CA -0.333 55.185 55.300 0.363 0.000 1.124 693 M CB 0.606 33.416 32.600 0.351 0.000 1.600 693 M HN 0.265 nan 8.290 nan 0.000 0.467 694 E N 1.057 121.470 120.200 0.355 0.000 2.480 694 E HA 0.229 4.580 4.350 0.001 0.000 0.258 694 E C 1.091 177.853 176.600 0.271 0.000 0.984 694 E CA 1.094 57.678 56.400 0.306 0.000 0.930 694 E CB 0.258 30.219 29.700 0.436 0.000 0.936 694 E HN 0.890 nan 8.360 nan 0.000 0.466 695 G N 2.727 111.654 108.800 0.212 0.000 2.268 695 G HA2 -0.342 3.618 3.960 0.001 0.000 0.240 695 G HA3 -0.342 3.618 3.960 0.001 0.000 0.240 695 G C 0.359 175.418 174.900 0.265 0.000 1.010 695 G CA 0.045 45.297 45.100 0.253 0.000 0.618 695 G HN 0.936 nan 8.290 nan 0.000 0.516 696 A N 0.403 123.363 122.820 0.234 0.000 2.445 696 A HA 0.621 4.941 4.320 0.001 0.000 0.242 696 A C 0.593 178.312 177.584 0.224 0.000 1.075 696 A CA 1.340 53.534 52.037 0.262 0.000 0.777 696 A CB 0.345 19.488 19.000 0.237 0.000 1.013 696 A HN 0.768 nan 8.150 nan 0.000 0.493 697 T N 2.076 116.820 114.554 0.317 0.000 2.767 697 T HA 0.612 4.962 4.350 0.001 0.000 0.284 697 T C 0.259 175.171 174.700 0.353 0.000 0.973 697 T CA 0.242 62.531 62.100 0.316 0.000 0.996 697 T CB 0.835 69.913 68.868 0.351 0.000 0.927 697 T HN 1.005 nan 8.240 nan 0.000 0.456 698 T N 0.271 114.918 114.554 0.154 0.000 2.864 698 T HA 0.705 5.055 4.350 0.001 0.000 0.299 698 T C -0.568 173.956 174.700 -0.294 0.000 1.166 698 T CA -0.933 61.004 62.100 -0.271 0.000 1.007 698 T CB 0.876 69.123 68.868 -1.036 0.000 1.219 698 T HN 0.410 nan 8.240 nan 0.000 0.506 699 I N 2.287 122.543 120.570 -0.524 0.000 2.325 699 I HA 0.223 4.393 4.170 0.001 0.000 0.291 699 I C 0.616 176.662 176.117 -0.120 0.000 1.019 699 I CA -0.840 60.245 61.300 -0.358 0.000 1.302 699 I CB 0.696 38.427 38.000 -0.448 0.000 1.401 699 I HN 0.659 nan 8.210 nan 0.000 0.485 700 H N 7.845 126.821 119.070 -0.156 0.000 2.955 700 H HA 0.376 4.933 4.556 0.001 0.000 0.290 700 H C -1.062 174.215 175.328 -0.086 0.000 1.047 700 H CA 0.249 56.217 56.048 -0.133 0.000 1.484 700 H CB 0.567 30.195 29.762 -0.224 0.000 1.501 700 H HN 0.461 nan 8.280 nan 0.000 0.521 701 L N 7.189 128.301 121.223 -0.186 0.000 2.341 701 L HA 0.367 4.707 4.340 0.001 0.000 0.267 701 L C -2.122 174.685 176.870 -0.104 0.000 1.009 701 L CA -2.240 52.552 54.840 -0.080 0.000 0.819 701 L CB 2.249 44.265 42.059 -0.072 0.000 1.323 701 L HN 0.536 nan 8.230 nan 0.000 0.425 702 P HA 0.072 nan 4.420 nan 0.000 0.267 702 P C 0.758 178.015 177.300 -0.070 0.000 1.200 702 P CA -0.116 62.957 63.100 -0.044 0.000 0.772 702 P CB 0.599 32.288 31.700 -0.019 0.000 0.855 703 L N 2.237 123.401 121.223 -0.098 0.000 2.127 703 L HA -0.222 4.119 4.340 0.001 0.000 0.211 703 L C 2.301 179.204 176.870 0.056 0.000 1.089 703 L CA 1.694 56.459 54.840 -0.125 0.000 0.757 703 L CB -0.731 41.117 42.059 -0.350 0.000 0.899 703 L HN 0.523 nan 8.230 nan 0.000 0.434 704 K N -0.495 119.925 120.400 0.032 0.000 2.147 704 K HA -0.175 4.145 4.320 0.001 0.000 0.205 704 K C 1.218 177.830 176.600 0.020 0.000 1.049 704 K CA 1.703 58.017 56.287 0.045 0.000 0.936 704 K CB -0.158 32.355 32.500 0.022 0.000 0.722 704 K HN 0.254 nan 8.250 nan 0.000 0.446 705 D N 0.758 121.156 120.400 -0.003 0.000 2.213 705 D HA -0.067 4.574 4.640 0.001 0.000 0.205 705 D C 1.864 178.126 176.300 -0.063 0.000 0.961 705 D CA 0.538 54.524 54.000 -0.024 0.000 0.853 705 D CB 0.048 40.833 40.800 -0.026 0.000 0.967 705 D HN 0.161 nan 8.370 nan 0.000 0.496 706 L N 1.355 122.540 121.223 -0.064 0.000 2.156 706 L HA 0.007 4.348 4.340 0.001 0.000 0.208 706 L C 0.389 177.200 176.870 -0.098 0.000 1.095 706 L CA 0.839 55.600 54.840 -0.132 0.000 0.770 706 L CB -0.420 41.574 42.059 -0.109 0.000 0.914 706 L HN -0.211 nan 8.230 nan 0.000 0.439 707 D N -0.131 120.279 120.400 0.016 0.000 2.506 707 D HA -0.093 4.548 4.640 0.001 0.000 0.234 707 D C 0.093 176.308 176.300 -0.142 0.000 1.143 707 D CA 0.438 54.357 54.000 -0.134 0.000 0.871 707 D CB 0.680 41.418 40.800 -0.105 0.000 1.190 707 D HN 0.206 nan 8.370 nan 0.000 0.459 708 S N 3.304 118.893 115.700 -0.186 0.000 2.552 708 S HA 0.074 4.545 4.470 0.001 0.000 0.289 708 S C -1.446 173.126 174.600 -0.046 0.000 1.304 708 S CA -0.965 57.186 58.200 -0.081 0.000 1.063 708 S CB 0.809 63.939 63.200 -0.115 0.000 0.848 708 S HN 0.422 nan 8.310 nan 0.000 0.499 709 P HA 0.065 nan 4.420 nan 0.000 0.241 709 P C -0.475 176.811 177.300 -0.024 0.000 1.191 709 P CA 0.490 63.598 63.100 0.014 0.000 0.771 709 P CB 0.147 31.888 31.700 0.069 0.000 0.929 710 K N 1.512 121.887 120.400 -0.042 0.000 2.227 710 K HA 0.229 4.550 4.320 0.001 0.000 0.280 710 K C -1.511 175.039 176.600 -0.084 0.000 1.041 710 K CA -2.583 53.675 56.287 -0.049 0.000 0.905 710 K CB 0.606 33.080 32.500 -0.044 0.000 1.068 710 K HN -0.004 nan 8.250 nan 0.000 0.470 711 P HA -0.130 nan 4.420 nan 0.000 0.222 711 P C 0.293 177.334 177.300 -0.431 0.000 1.147 711 P CA 1.385 64.351 63.100 -0.224 0.000 0.790 711 P CB 0.451 32.041 31.700 -0.182 0.000 0.780 712 H N -0.671 118.342 119.070 -0.094 0.000 4.983 712 H HA 0.274 4.831 4.556 0.001 0.000 0.113 712 H C 0.218 175.481 175.328 -0.108 0.000 1.343 712 H CA 0.385 56.364 56.048 -0.116 0.000 0.892 712 H CB -0.289 29.390 29.762 -0.137 0.000 1.645 712 H HN -0.140 nan 8.280 nan 0.000 0.259 713 T N 2.233 116.794 114.554 0.012 0.000 2.829 713 T HA 0.428 4.778 4.350 0.001 0.000 0.282 713 T C -0.744 173.937 174.700 -0.032 0.000 0.990 713 T CA -0.435 61.653 62.100 -0.020 0.000 1.028 713 T CB 1.104 69.903 68.868 -0.116 0.000 0.951 713 T HN 0.091 nan 8.240 nan 0.000 0.460 714 L N 3.794 124.995 121.223 -0.036 0.000 2.476 714 L HA 0.610 4.950 4.340 0.001 0.000 0.269 714 L C -1.228 175.581 176.870 -0.102 0.000 0.965 714 L CA -0.438 54.361 54.840 -0.069 0.000 0.845 714 L CB 1.617 43.634 42.059 -0.070 0.000 1.259 714 L HN 0.681 nan 8.230 nan 0.000 0.403 715 M N 4.266 123.797 119.600 -0.115 0.000 2.182 715 M HA 0.379 4.859 4.480 0.001 0.000 0.285 715 M C -0.571 175.735 176.300 0.011 0.000 0.956 715 M CA -0.547 54.658 55.300 -0.158 0.000 0.878 715 M CB 1.149 33.504 32.600 -0.409 0.000 1.373 715 M HN 0.557 nan 8.290 nan 0.000 0.393 716 Q N 3.041 122.848 119.800 0.011 0.000 2.263 716 Q HA 0.211 4.551 4.340 0.001 0.000 0.270 716 Q C -0.604 175.495 176.000 0.165 0.000 1.104 716 Q CA 0.821 56.642 55.803 0.031 0.000 0.909 716 Q CB 0.449 29.171 28.738 -0.026 0.000 1.214 716 Q HN 0.466 nan 8.270 nan 0.000 0.400 717 R N 1.977 122.606 120.500 0.215 0.000 2.532 717 R HA 0.637 4.977 4.340 0.001 0.000 0.272 717 R C 0.453 176.992 176.300 0.398 0.000 1.032 717 R CA -0.153 56.144 56.100 0.329 0.000 1.089 717 R CB 0.943 31.387 30.300 0.241 0.000 1.098 717 R HN 0.805 nan 8.270 nan 0.000 0.526 718 G N -0.070 108.988 108.800 0.430 0.000 2.563 718 G HA2 0.031 3.991 3.960 0.001 0.000 0.283 718 G HA3 0.031 3.991 3.960 0.001 0.000 0.283 718 G C 0.074 175.052 174.900 0.130 0.000 1.309 718 G CA -0.346 44.892 45.100 0.229 0.000 1.022 718 G HN 0.541 nan 8.290 nan 0.000 0.501 719 E N -0.880 119.361 120.200 0.068 0.000 2.476 719 E HA 0.094 4.444 4.350 0.001 0.000 0.199 719 E C 1.020 177.651 176.600 0.051 0.000 1.021 719 E CA 0.167 56.606 56.400 0.067 0.000 0.907 719 E CB 0.579 30.318 29.700 0.064 0.000 0.974 719 E HN 0.630 nan 8.360 nan 0.000 0.489 720 R N -2.234 118.293 120.500 0.046 0.000 2.764 720 R HA 0.573 4.913 4.340 0.001 0.000 0.270 720 R C 0.936 177.283 176.300 0.079 0.000 1.014 720 R CA -0.327 55.813 56.100 0.066 0.000 0.904 720 R CB 0.241 30.587 30.300 0.076 0.000 1.236 720 R HN -0.152 nan 8.270 nan 0.000 0.466 721 G N 0.653 109.512 108.800 0.097 0.000 2.448 721 G HA2 -0.099 3.861 3.960 0.001 0.000 0.218 721 G HA3 -0.099 3.861 3.960 0.001 0.000 0.218 721 G C -0.111 174.854 174.900 0.109 0.000 1.135 721 G CA 0.113 45.267 45.100 0.090 0.000 0.784 721 G HN 0.461 nan 8.290 nan 0.000 0.543 722 F N 2.063 122.016 119.950 0.006 0.000 2.421 722 F HA 0.608 5.136 4.527 0.001 0.000 0.358 722 F C -0.361 175.457 175.800 0.031 0.000 1.115 722 F CA -0.575 57.429 58.000 0.006 0.000 1.160 722 F CB 1.089 40.093 39.000 0.006 0.000 1.123 722 F HN -0.080 nan 8.300 nan 0.000 0.508 723 S N 3.151 118.527 115.700 -0.539 0.000 2.675 723 S HA 0.649 5.120 4.470 0.001 0.000 0.297 723 S C -0.438 173.962 174.600 -0.333 0.000 1.035 723 S CA -0.419 57.523 58.200 -0.430 0.000 0.852 723 S CB 0.879 64.084 63.200 0.008 0.000 1.051 723 S HN 1.322 nan 8.310 nan 0.000 0.451 724 G N 1.410 110.043 108.800 -0.278 0.000 2.439 724 G HA2 0.489 4.450 3.960 0.001 0.000 0.186 724 G HA3 0.489 4.450 3.960 0.001 0.000 0.186 724 G C -0.676 174.151 174.900 -0.122 0.000 1.260 724 G CA 0.556 45.562 45.100 -0.157 0.000 1.020 724 G HN 1.514 nan 8.290 nan 0.000 0.470 725 T N -2.832 111.677 114.554 -0.076 0.000 2.804 725 T HA 0.864 5.214 4.350 0.001 0.000 0.290 725 T C -0.342 174.347 174.700 -0.018 0.000 1.099 725 T CA 0.395 62.496 62.100 0.001 0.000 1.011 725 T CB 1.633 70.625 68.868 0.207 0.000 1.291 725 T HN 1.966 nan 8.240 nan 0.000 0.523 726 S N -0.631 115.061 115.700 -0.013 0.000 2.656 726 S HA 0.837 5.307 4.470 0.001 0.000 0.273 726 S C -1.426 173.134 174.600 -0.067 0.000 1.168 726 S CA -0.188 57.990 58.200 -0.036 0.000 0.817 726 S CB 1.292 64.444 63.200 -0.081 0.000 1.146 726 S HN 1.657 nan 8.310 nan 0.000 0.475 727 S N 0.970 116.643 115.700 -0.044 0.000 2.627 727 S HA 0.874 5.344 4.470 0.001 0.000 0.283 727 S C -1.783 172.789 174.600 -0.047 0.000 1.127 727 S CA -0.736 57.440 58.200 -0.040 0.000 0.863 727 S CB 1.566 64.825 63.200 0.098 0.000 1.121 727 S HN 0.906 nan 8.310 nan 0.000 0.479 728 L N 1.032 122.239 121.223 -0.027 0.000 2.470 728 L HA 0.578 4.918 4.340 0.001 0.000 0.268 728 L C 0.020 176.906 176.870 0.026 0.000 0.964 728 L CA 0.236 55.100 54.840 0.040 0.000 0.839 728 L CB 0.960 43.093 42.059 0.123 0.000 1.276 728 L HN 1.038 nan 8.230 nan 0.000 0.403 729 E N 3.461 123.671 120.200 0.017 0.000 2.883 729 E HA -0.274 4.076 4.350 0.001 0.000 0.271 729 E C 1.042 177.561 176.600 -0.135 0.000 1.049 729 E CA 0.828 57.216 56.400 -0.021 0.000 0.817 729 E CB -1.440 28.295 29.700 0.058 0.000 1.407 729 E HN 1.338 nan 8.360 nan 0.000 0.434 730 G N -0.276 108.424 108.800 -0.167 0.000 2.166 730 G HA2 -0.414 3.546 3.960 0.001 0.000 0.260 730 G HA3 -0.414 3.546 3.960 0.001 0.000 0.260 730 G C 0.595 175.269 174.900 -0.376 0.000 0.986 730 G CA 1.185 46.114 45.100 -0.286 0.000 0.683 730 G HN 0.478 nan 8.290 nan 0.000 0.527 731 Q N -2.137 117.409 119.800 -0.424 0.000 2.384 731 Q HA 0.287 4.627 4.340 0.001 0.000 0.264 731 Q C 0.139 175.817 176.000 -0.537 0.000 0.825 731 Q CA 0.220 55.663 55.803 -0.599 0.000 0.984 731 Q CB 0.870 28.965 28.738 -1.071 0.000 1.183 731 Q HN 0.625 nan 8.270 nan 0.000 0.537 732 Y N -0.599 119.675 120.300 -0.042 0.000 2.487 732 Y HA 0.736 5.286 4.550 0.001 0.000 0.337 732 Y C 0.439 176.070 175.900 -0.447 0.000 1.076 732 Y CA -1.204 56.784 58.100 -0.187 0.000 1.115 732 Y CB 1.877 40.193 38.460 -0.240 0.000 1.235 732 Y HN -0.104 nan 8.280 nan 0.000 0.468 733 G N 1.460 109.795 108.800 -0.775 0.000 2.672 733 G HA2 0.656 4.616 3.960 0.001 0.000 0.292 733 G HA3 0.656 4.616 3.960 0.001 0.000 0.292 733 G C -1.996 172.298 174.900 -1.011 0.000 1.375 733 G CA -0.965 43.087 45.100 -1.747 0.000 0.890 733 G HN 0.550 nan 8.290 nan 0.000 0.476 734 M N 1.547 120.710 119.600 -0.727 0.000 2.326 734 M HA 0.628 5.109 4.480 0.001 0.000 0.292 734 M C -1.170 175.006 176.300 -0.206 0.000 1.081 734 M CA -0.845 54.225 55.300 -0.384 0.000 0.919 734 M CB 2.326 34.779 32.600 -0.245 0.000 1.634 734 M HN 0.629 nan 8.290 nan 0.000 0.451 735 M N 3.993 123.526 119.600 -0.111 0.000 2.363 735 M HA 0.775 5.256 4.480 0.001 0.000 0.343 735 M C -1.410 174.892 176.300 0.003 0.000 1.165 735 M CA -0.197 55.099 55.300 -0.007 0.000 1.046 735 M CB 1.539 34.181 32.600 0.071 0.000 1.648 735 M HN 0.784 nan 8.290 nan 0.000 0.452 736 A N 5.261 128.073 122.820 -0.013 0.000 2.335 736 A HA 0.650 4.971 4.320 0.001 0.000 0.304 736 A C -1.833 175.867 177.584 0.193 0.000 1.118 736 A CA -0.512 51.550 52.037 0.041 0.000 0.757 736 A CB 0.598 19.469 19.000 -0.216 0.000 1.188 736 A HN 0.920 nan 8.150 nan 0.000 0.460 737 F N 3.259 123.333 119.950 0.206 0.000 2.553 737 F HA 0.423 4.950 4.527 0.001 0.000 0.335 737 F C -0.330 175.521 175.800 0.083 0.000 1.148 737 F CA -0.548 57.506 58.000 0.091 0.000 0.963 737 F CB 1.126 40.158 39.000 0.053 0.000 1.217 737 F HN 0.650 nan 8.300 nan 0.000 0.441 738 N N 7.372 125.938 118.700 -0.224 0.000 2.462 738 N HA 0.274 5.015 4.740 0.001 0.000 0.242 738 N C -1.185 173.778 175.510 -0.911 0.000 1.010 738 N CA -0.527 52.238 53.050 -0.474 0.000 0.939 738 N CB 0.907 39.362 38.487 -0.053 0.000 1.127 738 N HN 0.713 nan 8.380 nan 0.000 0.509 739 L N 6.350 126.881 121.223 -1.154 0.000 2.283 739 L HA 0.458 4.798 4.340 0.001 0.000 0.287 739 L C -1.133 175.373 176.870 -0.607 0.000 1.073 739 L CA -0.302 53.855 54.840 -1.138 0.000 0.822 739 L CB 0.163 41.548 42.059 -1.124 0.000 1.186 739 L HN 0.535 nan 8.230 nan 0.000 0.436 740 I N 4.280 124.649 120.570 -0.334 0.000 2.582 740 I HA 0.355 4.526 4.170 0.001 0.000 0.292 740 I C -1.093 175.165 176.117 0.234 0.000 1.066 740 I CA -0.725 60.520 61.300 -0.093 0.000 1.053 740 I CB 1.923 39.885 38.000 -0.064 0.000 1.241 740 I HN 0.328 nan 8.210 nan 0.000 0.421 741 Y N 4.821 125.186 120.300 0.108 0.000 2.534 741 Y HA 0.563 5.113 4.550 0.001 0.000 0.329 741 Y C -2.178 173.832 175.900 0.183 0.000 1.154 741 Y CA -2.900 55.360 58.100 0.267 0.000 1.192 741 Y CB 1.001 39.706 38.460 0.408 0.000 1.275 741 Y HN 0.297 nan 8.280 nan 0.000 0.491 742 P HA 0.126 nan 4.420 nan 0.000 0.272 742 P C -0.114 177.262 177.300 0.127 0.000 1.230 742 P CA 0.160 63.321 63.100 0.100 0.000 0.788 742 P CB 0.700 32.366 31.700 -0.057 0.000 0.949 743 A N 1.693 124.562 122.820 0.083 0.000 1.940 743 A HA -0.168 4.153 4.320 0.001 0.000 0.219 743 A C 1.148 178.779 177.584 0.078 0.000 1.176 743 A CA 1.632 53.717 52.037 0.080 0.000 0.631 743 A CB -0.836 18.195 19.000 0.053 0.000 0.814 743 A HN 0.780 nan 8.150 nan 0.000 0.446 744 N N -1.143 117.588 118.700 0.050 0.000 2.805 744 N HA 0.239 4.979 4.740 0.001 0.000 0.216 744 N C -1.790 173.724 175.510 0.007 0.000 1.447 744 N CA -0.347 52.730 53.050 0.045 0.000 0.785 744 N CB 0.282 38.790 38.487 0.035 0.000 1.458 744 N HN 0.199 nan 8.380 nan 0.000 0.547 745 L N 1.711 122.930 121.223 -0.007 0.000 2.313 745 L HA 0.455 4.795 4.340 0.001 0.000 0.283 745 L C 0.290 177.193 176.870 0.055 0.000 1.013 745 L CA -0.283 54.504 54.840 -0.088 0.000 0.816 745 L CB 1.413 43.234 42.059 -0.396 0.000 1.236 745 L HN 0.246 nan 8.230 nan 0.000 0.419 746 E N 4.477 124.710 120.200 0.055 0.000 2.529 746 E HA -0.002 4.348 4.350 0.001 0.000 0.259 746 E C 0.115 176.851 176.600 0.226 0.000 0.966 746 E CA 0.601 57.067 56.400 0.110 0.000 0.937 746 E CB 0.250 29.987 29.700 0.062 0.000 0.923 746 E HN 0.671 nan 8.360 nan 0.000 0.468 747 R N 1.381 121.995 120.500 0.191 0.000 3.653 747 R HA -0.202 4.139 4.340 0.001 0.000 0.485 747 R C -0.700 175.692 176.300 0.153 0.000 0.840 747 R CA 1.007 57.195 56.100 0.147 0.000 1.409 747 R CB -1.563 28.791 30.300 0.090 0.000 2.089 747 R HN 0.353 nan 8.270 nan 0.000 0.482 748 F N 2.167 122.142 119.950 0.043 0.000 2.385 748 F HA 0.209 4.736 4.527 0.001 0.000 0.360 748 F C 0.766 176.736 175.800 0.284 0.000 1.122 748 F CA -1.551 56.505 58.000 0.093 0.000 1.090 748 F CB 0.901 39.768 39.000 -0.222 0.000 1.150 748 F HN -0.145 nan 8.300 nan 0.000 0.472 749 D N 6.668 127.400 120.400 0.554 0.000 2.363 749 D HA 0.042 4.682 4.640 0.001 0.000 0.263 749 D C -1.459 175.144 176.300 0.505 0.000 1.258 749 D CA -1.925 52.319 54.000 0.408 0.000 0.907 749 D CB 1.213 42.165 40.800 0.254 0.000 1.107 749 D HN 0.208 nan 8.370 nan 0.000 0.495 750 P HA -0.086 nan 4.420 nan 0.000 0.225 750 P C 0.236 177.687 177.300 0.252 0.000 1.148 750 P CA 0.617 63.901 63.100 0.306 0.000 0.779 750 P CB 0.461 32.277 31.700 0.194 0.000 0.780 751 N N -1.063 117.770 118.700 0.222 0.000 2.203 751 N HA 0.071 4.811 4.740 0.001 0.000 0.207 751 N C -0.016 175.604 175.510 0.184 0.000 1.130 751 N CA -0.346 52.798 53.050 0.157 0.000 0.861 751 N CB -0.166 38.391 38.487 0.117 0.000 1.005 751 N HN 0.230 nan 8.380 nan 0.000 0.507 752 F N 2.979 122.932 119.950 0.006 0.000 2.533 752 F HA 0.064 4.591 4.527 0.001 0.000 0.378 752 F C 0.559 176.251 175.800 -0.179 0.000 1.070 752 F CA -0.127 57.794 58.000 -0.131 0.000 1.172 752 F CB 0.444 39.256 39.000 -0.313 0.000 1.085 752 F HN -0.097 nan 8.300 nan 0.000 0.552 753 T N 3.217 117.570 114.554 -0.335 0.000 2.883 753 T HA 0.877 5.227 4.350 0.001 0.000 0.301 753 T C -1.014 173.375 174.700 -0.517 0.000 1.158 753 T CA -0.689 61.133 62.100 -0.463 0.000 1.007 753 T CB 1.801 70.527 68.868 -0.236 0.000 1.186 753 T HN 0.968 nan 8.240 nan 0.000 0.499 754 A N 1.457 123.957 122.820 -0.533 0.000 2.599 754 A HA 0.742 5.063 4.320 0.001 0.000 0.294 754 A C -1.672 175.630 177.584 -0.470 0.000 1.055 754 A CA -1.063 50.728 52.037 -0.409 0.000 0.683 754 A CB 1.517 20.320 19.000 -0.328 0.000 1.278 754 A HN 0.675 nan 8.150 nan 0.000 0.412 755 K N 1.434 121.600 120.400 -0.390 0.000 2.323 755 K HA 0.551 4.871 4.320 0.001 0.000 0.259 755 K C -1.198 175.278 176.600 -0.207 0.000 0.947 755 K CA -0.265 55.697 56.287 -0.542 0.000 0.819 755 K CB 1.856 33.870 32.500 -0.810 0.000 1.109 755 K HN 0.653 nan 8.250 nan 0.000 0.429 756 K N 1.398 121.759 120.400 -0.064 0.000 2.507 756 K HA 0.415 4.736 4.320 0.001 0.000 0.252 756 K C -0.858 175.923 176.600 0.302 0.000 0.943 756 K CA -0.485 55.932 56.287 0.216 0.000 0.808 756 K CB 1.977 34.715 32.500 0.396 0.000 1.142 756 K HN 0.407 nan 8.250 nan 0.000 0.426 757 S N 1.164 117.037 115.700 0.289 0.000 2.568 757 S HA 0.640 5.111 4.470 0.001 0.000 0.293 757 S C -0.932 173.688 174.600 0.033 0.000 1.089 757 S CA -0.834 57.491 58.200 0.209 0.000 0.945 757 S CB 2.064 65.444 63.200 0.300 0.000 1.077 757 S HN 0.252 nan 8.310 nan 0.000 0.485 758 V N 2.469 122.320 119.914 -0.105 0.000 2.760 758 V HA 0.572 4.692 4.120 0.001 0.000 0.309 758 V C -1.304 174.576 176.094 -0.358 0.000 1.077 758 V CA -0.698 61.384 62.300 -0.363 0.000 0.910 758 V CB 1.790 33.314 31.823 -0.498 0.000 1.008 758 V HN 0.714 nan 8.190 nan 0.000 0.424 759 L N 3.998 124.962 121.223 -0.431 0.000 2.325 759 L HA 0.928 5.268 4.340 0.001 0.000 0.281 759 L C 0.016 176.604 176.870 -0.471 0.000 1.004 759 L CA -0.248 54.350 54.840 -0.403 0.000 0.823 759 L CB 1.320 43.182 42.059 -0.328 0.000 1.236 759 L HN 0.834 nan 8.230 nan 0.000 0.415 760 A N 4.466 126.968 122.820 -0.529 0.000 2.303 760 A HA 0.978 5.299 4.320 0.001 0.000 0.320 760 A C -0.832 176.367 177.584 -0.642 0.000 1.192 760 A CA 0.076 51.704 52.037 -0.683 0.000 0.821 760 A CB 1.182 19.780 19.000 -0.670 0.000 1.188 760 A HN 1.213 nan 8.150 nan 0.000 0.492 761 A N 3.250 125.637 122.820 -0.721 0.000 2.513 761 A HA 0.662 4.983 4.320 0.001 0.000 0.296 761 A C -0.115 177.158 177.584 -0.518 0.000 1.052 761 A CA -0.100 51.743 52.037 -0.325 0.000 0.714 761 A CB 0.563 19.444 19.000 -0.199 0.000 1.279 761 A HN 1.013 nan 8.150 nan 0.000 0.397 762 D N 1.066 121.448 120.400 -0.030 0.000 3.608 762 D HA -0.331 4.309 4.640 0.001 0.000 0.152 762 D C 0.917 176.749 176.300 -0.781 0.000 0.971 762 D CA 2.195 56.023 54.000 -0.287 0.000 1.072 762 D CB -0.627 39.991 40.800 -0.303 0.000 0.507 762 D HN 1.020 nan 8.370 nan 0.000 0.520 763 N N 1.354 119.231 118.700 -1.373 0.000 2.449 763 N HA -0.074 4.667 4.740 0.001 0.000 0.191 763 N C 0.556 175.802 175.510 -0.440 0.000 1.161 763 N CA 0.408 52.672 53.050 -1.309 0.000 0.863 763 N CB -0.054 37.829 38.487 -1.006 0.000 0.980 763 N HN 0.578 nan 8.380 nan 0.000 0.458 764 H N -1.422 117.418 119.070 -0.384 0.000 2.985 764 H HA 0.581 5.138 4.556 0.001 0.000 0.360 764 H C -1.628 173.461 175.328 -0.397 0.000 1.221 764 H CA -1.128 54.659 56.048 -0.435 0.000 1.121 764 H CB 1.219 30.626 29.762 -0.593 0.000 1.854 764 H HN -0.084 nan 8.280 nan 0.000 0.551 765 L N 1.420 122.466 121.223 -0.295 0.000 2.422 765 L HA 0.447 4.788 4.340 0.001 0.000 0.264 765 L C -0.567 176.112 176.870 -0.319 0.000 0.984 765 L CA -0.454 54.169 54.840 -0.362 0.000 0.819 765 L CB 2.382 44.237 42.059 -0.340 0.000 1.330 765 L HN 0.546 nan 8.230 nan 0.000 0.410 766 I N 2.447 122.748 120.570 -0.448 0.000 2.362 766 I HA 0.412 4.582 4.170 0.001 0.000 0.289 766 I C -1.074 174.734 176.117 -0.515 0.000 0.994 766 I CA -0.194 60.836 61.300 -0.450 0.000 1.158 766 I CB 0.998 38.665 38.000 -0.555 0.000 1.315 766 I HN 0.302 nan 8.210 nan 0.000 0.451 767 F N 7.392 127.063 119.950 -0.466 0.000 2.427 767 F HA 0.629 5.156 4.527 0.001 0.000 0.346 767 F C 0.237 175.918 175.800 -0.200 0.000 1.120 767 F CA -0.786 57.005 58.000 -0.349 0.000 1.033 767 F CB 1.419 39.959 39.000 -0.767 0.000 1.126 767 F HN 0.248 nan 8.300 nan 0.000 0.462 768 I N 0.071 120.641 120.570 -0.001 0.000 2.865 768 I HA 1.048 5.219 4.170 0.001 0.000 0.302 768 I C -0.637 175.171 176.117 -0.514 0.000 1.140 768 I CA -0.822 60.328 61.300 -0.250 0.000 1.021 768 I CB 2.491 40.333 38.000 -0.263 0.000 1.233 768 I HN 0.616 nan 8.210 nan 0.000 0.427 769 G N 2.154 110.324 108.800 -1.050 0.000 2.682 769 G HA2 0.688 4.649 3.960 0.001 0.000 0.300 769 G HA3 0.688 4.649 3.960 0.001 0.000 0.300 769 G C -1.310 173.321 174.900 -0.448 0.000 1.391 769 G CA -0.332 44.228 45.100 -0.899 0.000 0.990 769 G HN 1.054 nan 8.290 nan 0.000 0.501 770 S N -0.222 115.369 115.700 -0.182 0.000 2.638 770 S HA 0.581 5.051 4.470 0.001 0.000 0.274 770 S C 0.020 174.548 174.600 -0.119 0.000 1.157 770 S CA -0.597 57.530 58.200 -0.121 0.000 0.826 770 S CB 1.438 64.614 63.200 -0.039 0.000 1.139 770 S HN 1.008 nan 8.310 nan 0.000 0.474 771 N N -0.357 118.284 118.700 -0.099 0.000 2.740 771 N HA -0.134 4.606 4.740 0.001 0.000 0.248 771 N C -0.863 174.568 175.510 -0.130 0.000 1.062 771 N CA 0.978 53.963 53.050 -0.108 0.000 0.704 771 N CB -1.555 36.851 38.487 -0.136 0.000 0.968 771 N HN 0.684 nan 8.380 nan 0.000 0.547 772 I N 0.279 120.779 120.570 -0.118 0.000 2.371 772 I HA 0.231 4.401 4.170 0.001 0.000 0.290 772 I C 0.421 176.518 176.117 -0.033 0.000 1.028 772 I CA -0.055 61.177 61.300 -0.113 0.000 1.345 772 I CB 0.644 38.529 38.000 -0.191 0.000 1.407 772 I HN 0.210 nan 8.210 nan 0.000 0.501 773 N N 3.739 122.449 118.700 0.017 0.000 2.610 773 N HA 0.560 5.300 4.740 0.001 0.000 0.264 773 N C -1.242 174.378 175.510 0.183 0.000 1.348 773 N CA -0.511 52.582 53.050 0.071 0.000 0.819 773 N CB 2.437 40.940 38.487 0.027 0.000 1.521 773 N HN 0.678 nan 8.380 nan 0.000 0.497 774 S N -1.454 114.334 115.700 0.146 0.000 2.752 774 S HA 0.388 4.858 4.470 0.001 0.000 0.284 774 S C 0.254 174.914 174.600 0.100 0.000 1.189 774 S CA -0.467 57.828 58.200 0.158 0.000 0.835 774 S CB 1.180 64.436 63.200 0.093 0.000 1.192 774 S HN 0.285 nan 8.310 nan 0.000 0.506 775 S N 0.266 116.022 115.700 0.092 0.000 2.481 775 S HA 0.098 4.568 4.470 0.001 0.000 0.231 775 S C 0.273 174.905 174.600 0.053 0.000 0.996 775 S CA 1.060 59.304 58.200 0.074 0.000 0.942 775 S CB -0.426 62.822 63.200 0.080 0.000 0.768 775 S HN 0.696 nan 8.310 nan 0.000 0.520 776 D N 0.927 121.353 120.400 0.044 0.000 2.980 776 D HA 0.221 4.862 4.640 0.001 0.000 0.333 776 D C -0.557 175.764 176.300 0.035 0.000 1.356 776 D CA -0.190 53.830 54.000 0.034 0.000 0.847 776 D CB -0.412 40.401 40.800 0.023 0.000 1.122 776 D HN 0.039 nan 8.370 nan 0.000 0.475 777 K N 0.868 121.294 120.400 0.043 0.000 3.071 777 K HA -0.227 4.094 4.320 0.001 0.000 0.265 777 K C -0.045 176.589 176.600 0.056 0.000 1.060 777 K CA 0.518 56.832 56.287 0.046 0.000 0.767 777 K CB -1.221 31.301 32.500 0.037 0.000 1.241 777 K HN 0.228 nan 8.250 nan 0.000 0.486 778 N N -0.604 118.135 118.700 0.065 0.000 2.741 778 N HA -0.191 4.550 4.740 0.001 0.000 0.251 778 N C -0.047 175.503 175.510 0.068 0.000 1.112 778 N CA 1.500 54.601 53.050 0.085 0.000 0.750 778 N CB -0.536 38.025 38.487 0.124 0.000 1.119 778 N HN 0.558 nan 8.380 nan 0.000 0.561 779 K N 1.385 121.808 120.400 0.038 0.000 2.484 779 K HA -0.020 4.301 4.320 0.001 0.000 0.280 779 K C 0.705 177.309 176.600 0.006 0.000 1.013 779 K CA 0.236 56.536 56.287 0.023 0.000 1.029 779 K CB 0.284 32.791 32.500 0.012 0.000 0.902 779 K HN 0.169 nan 8.250 nan 0.000 0.481 780 N N 0.409 119.115 118.700 0.009 0.000 2.815 780 N HA -0.185 4.555 4.740 0.001 0.000 0.247 780 N C -0.715 174.793 175.510 -0.002 0.000 1.030 780 N CA 0.916 53.964 53.050 -0.003 0.000 0.881 780 N CB -1.308 37.175 38.487 -0.006 0.000 1.134 780 N HN 0.239 nan 8.380 nan 0.000 0.582 781 V N 1.162 121.099 119.914 0.038 0.000 2.488 781 V HA 0.256 4.377 4.120 0.001 0.000 0.277 781 V C 0.599 176.823 176.094 0.217 0.000 1.046 781 V CA 0.244 62.605 62.300 0.101 0.000 0.986 781 V CB 1.502 33.423 31.823 0.165 0.000 0.989 781 V HN 0.080 nan 8.190 nan 0.000 0.475 782 E N 2.066 122.396 120.200 0.216 0.000 2.356 782 E HA 0.521 4.871 4.350 0.001 0.000 0.275 782 E C -1.211 175.505 176.600 0.193 0.000 0.904 782 E CA -0.714 55.779 56.400 0.155 0.000 0.757 782 E CB 2.512 32.212 29.700 -0.001 0.000 1.232 782 E HN 0.586 nan 8.360 nan 0.000 0.442 783 T N 1.513 116.120 114.554 0.088 0.000 2.786 783 T HA 0.312 4.662 4.350 0.001 0.000 0.283 783 T C -0.555 174.103 174.700 -0.070 0.000 0.992 783 T CA -0.489 61.632 62.100 0.035 0.000 0.954 783 T CB 1.356 70.189 68.868 -0.057 0.000 0.934 783 T HN 0.237 nan 8.240 nan 0.000 0.440 784 T N 4.744 119.269 114.554 -0.049 0.000 2.749 784 T HA 0.297 4.647 4.350 0.001 0.000 0.295 784 T C 1.654 176.246 174.700 -0.180 0.000 0.936 784 T CA -0.497 61.548 62.100 -0.092 0.000 1.060 784 T CB 0.476 69.308 68.868 -0.060 0.000 0.904 784 T HN 0.403 nan 8.240 nan 0.000 0.500 785 L N 3.040 124.047 121.223 -0.361 0.000 2.068 785 L HA 0.246 4.586 4.340 0.001 0.000 0.204 785 L C 0.507 177.281 176.870 -0.159 0.000 1.076 785 L CA 1.004 55.569 54.840 -0.458 0.000 0.753 785 L CB -0.203 41.427 42.059 -0.714 0.000 0.910 785 L HN 0.685 nan 8.230 nan 0.000 0.439 786 F N -2.009 117.770 119.950 -0.285 0.000 2.741 786 F HA 0.605 5.133 4.527 0.001 0.000 0.311 786 F C -1.020 174.742 175.800 -0.062 0.000 1.149 786 F CA -1.167 56.791 58.000 -0.071 0.000 0.930 786 F CB 1.444 40.397 39.000 -0.078 0.000 1.312 786 F HN -0.196 nan 8.300 nan 0.000 0.450 787 Q N 2.097 121.995 119.800 0.163 0.000 2.281 787 Q HA 0.538 4.878 4.340 0.001 0.000 0.263 787 Q C -2.148 174.020 176.000 0.281 0.000 0.989 787 Q CA -0.656 55.107 55.803 -0.067 0.000 0.852 787 Q CB 2.236 30.626 28.738 -0.580 0.000 1.337 787 Q HN 1.055 nan 8.270 nan 0.000 0.418 788 H N 0.691 119.972 119.070 0.352 0.000 3.046 788 H HA 0.781 5.337 4.556 0.001 0.000 0.361 788 H C -1.454 174.009 175.328 0.225 0.000 1.235 788 H CA -0.393 55.843 56.048 0.313 0.000 1.146 788 H CB 1.001 30.794 29.762 0.052 0.000 1.859 788 H HN 0.631 nan 8.280 nan 0.000 0.548 789 A N 1.915 124.790 122.820 0.092 0.000 2.425 789 A HA 0.426 4.747 4.320 0.001 0.000 0.242 789 A C -0.071 177.441 177.584 -0.121 0.000 1.077 789 A CA -0.417 51.285 52.037 -0.559 0.000 0.781 789 A CB -0.228 18.453 19.000 -0.531 0.000 1.020 789 A HN 0.623 nan 8.150 nan 0.000 0.494 790 I N 1.809 122.243 120.570 -0.228 0.000 2.331 790 I HA 0.410 4.580 4.170 0.001 0.000 0.292 790 I C 0.648 176.718 176.117 -0.078 0.000 0.998 790 I CA 0.104 61.364 61.300 -0.067 0.000 1.267 790 I CB 1.492 39.450 38.000 -0.071 0.000 1.386 790 I HN 0.859 nan 8.210 nan 0.000 0.476 791 T N 2.207 116.742 114.554 -0.031 0.000 2.838 791 T HA 0.427 4.778 4.350 0.001 0.000 0.292 791 T C -2.365 172.323 174.700 -0.020 0.000 1.113 791 T CA -1.843 60.236 62.100 -0.034 0.000 1.008 791 T CB 1.837 70.686 68.868 -0.031 0.000 1.259 791 T HN 0.122 nan 8.240 nan 0.000 0.520 792 P HA -0.136 nan 4.420 nan 0.000 0.216 792 P C 1.726 179.020 177.300 -0.010 0.000 1.150 792 P CA 2.023 65.114 63.100 -0.015 0.000 0.843 792 P CB -0.187 31.505 31.700 -0.012 0.000 0.787 793 T N -3.938 110.611 114.554 -0.009 0.000 3.014 793 T HA 0.041 4.392 4.350 0.001 0.000 0.263 793 T C 0.865 175.560 174.700 -0.009 0.000 1.078 793 T CA 0.551 62.647 62.100 -0.006 0.000 1.135 793 T CB -0.698 68.167 68.868 -0.005 0.000 0.895 793 T HN 0.001 nan 8.240 nan 0.000 0.480 794 L N 1.947 123.164 121.223 -0.010 0.000 2.719 794 L HA 0.539 4.880 4.340 0.001 0.000 0.236 794 L C 0.831 177.727 176.870 0.043 0.000 1.221 794 L CA -0.512 54.328 54.840 -0.001 0.000 1.048 794 L CB 0.270 42.313 42.059 -0.027 0.000 1.364 794 L HN 0.042 nan 8.230 nan 0.000 0.447 795 N N 0.208 118.917 118.700 0.016 0.000 2.227 795 N HA 0.015 4.755 4.740 0.001 0.000 0.196 795 N C 0.457 175.945 175.510 -0.037 0.000 1.142 795 N CA 0.253 53.299 53.050 -0.007 0.000 0.887 795 N CB 0.833 39.303 38.487 -0.030 0.000 1.022 795 N HN 0.463 nan 8.380 nan 0.000 0.500 796 T N -0.929 113.601 114.554 -0.040 0.000 2.859 796 T HA 0.593 4.943 4.350 0.001 0.000 0.281 796 T C -0.593 174.061 174.700 -0.077 0.000 1.005 796 T CA -0.798 61.220 62.100 -0.136 0.000 1.025 796 T CB 1.879 70.615 68.868 -0.220 0.000 0.977 796 T HN -0.025 nan 8.240 nan 0.000 0.458 797 L N 2.722 123.846 121.223 -0.164 0.000 2.385 797 L HA 0.730 5.070 4.340 0.001 0.000 0.273 797 L C -1.823 174.957 176.870 -0.151 0.000 0.990 797 L CA -1.106 53.703 54.840 -0.051 0.000 0.821 797 L CB 1.444 43.493 42.059 -0.018 0.000 1.279 797 L HN 0.854 nan 8.230 nan 0.000 0.412 798 W N 6.034 127.361 121.300 0.045 0.000 2.390 798 W HA 0.646 5.306 4.660 0.001 0.000 0.312 798 W C -0.396 176.090 176.519 -0.054 0.000 1.123 798 W CA -0.158 57.206 57.345 0.031 0.000 1.202 798 W CB 1.143 30.723 29.460 0.199 0.000 1.251 798 W HN 0.289 nan 8.180 nan 0.000 0.511 799 I N 5.065 125.633 120.570 -0.002 0.000 2.411 799 I HA 0.129 4.300 4.170 0.001 0.000 0.284 799 I C -0.320 175.493 176.117 -0.506 0.000 1.012 799 I CA -0.912 60.264 61.300 -0.207 0.000 1.119 799 I CB 1.211 39.145 38.000 -0.110 0.000 1.261 799 I HN 0.493 nan 8.210 nan 0.000 0.448 800 N N 5.074 123.039 118.700 -1.226 0.000 2.740 800 N HA -0.190 4.550 4.740 0.001 0.000 0.248 800 N C 0.876 176.041 175.510 -0.574 0.000 1.062 800 N CA 1.417 53.770 53.050 -1.161 0.000 0.704 800 N CB -0.885 37.301 38.487 -0.502 0.000 0.968 800 N HN 1.153 nan 8.380 nan 0.000 0.547 801 G N -1.090 107.392 108.800 -0.530 0.000 2.179 801 G HA2 -0.353 3.607 3.960 0.001 0.000 0.260 801 G HA3 -0.353 3.607 3.960 0.001 0.000 0.260 801 G C -0.155 174.957 174.900 0.354 0.000 0.977 801 G CA 0.637 45.855 45.100 0.196 0.000 0.641 801 G HN 0.693 nan 8.290 nan 0.000 0.533 802 Q N 0.163 120.078 119.800 0.191 0.000 2.322 802 Q HA 0.572 4.912 4.340 0.001 0.000 0.265 802 Q C -0.129 175.788 176.000 -0.137 0.000 0.985 802 Q CA -0.821 55.021 55.803 0.064 0.000 0.849 802 Q CB 0.799 29.507 28.738 -0.050 0.000 1.274 802 Q HN 0.235 nan 8.270 nan 0.000 0.449 803 K N 4.548 124.657 120.400 -0.484 0.000 2.312 803 K HA 0.261 4.582 4.320 0.001 0.000 0.287 803 K C -0.703 175.579 176.600 -0.530 0.000 1.062 803 K CA -0.295 55.441 56.287 -0.917 0.000 0.934 803 K CB 0.541 32.430 32.500 -1.017 0.000 1.027 803 K HN 0.559 nan 8.250 nan 0.000 0.478 804 I N 4.221 124.482 120.570 -0.514 0.000 2.378 804 I HA 0.156 4.327 4.170 0.001 0.000 0.291 804 I C 0.442 176.324 176.117 -0.392 0.000 0.992 804 I CA -0.056 60.949 61.300 -0.491 0.000 1.154 804 I CB 1.614 39.182 38.000 -0.720 0.000 1.315 804 I HN 0.807 nan 8.210 nan 0.000 0.448 805 E N 2.584 122.598 120.200 -0.310 0.000 2.541 805 E HA 0.103 4.454 4.350 0.001 0.000 0.219 805 E C -0.035 176.479 176.600 -0.144 0.000 0.922 805 E CA -0.283 55.994 56.400 -0.205 0.000 1.095 805 E CB 0.556 30.155 29.700 -0.168 0.000 1.112 805 E HN 0.511 nan 8.360 nan 0.000 0.516 806 N N 1.520 120.131 118.700 -0.148 0.000 2.353 806 N HA -0.002 4.738 4.740 0.001 0.000 0.248 806 N C -0.545 174.969 175.510 0.006 0.000 1.240 806 N CA 0.841 53.863 53.050 -0.048 0.000 0.862 806 N CB 0.384 38.880 38.487 0.015 0.000 1.086 806 N HN 0.031 nan 8.380 nan 0.000 0.453 807 M N 3.594 123.208 119.600 0.023 0.000 2.183 807 M HA 0.362 4.843 4.480 0.001 0.000 0.277 807 M C -2.572 173.751 176.300 0.039 0.000 0.995 807 M CA -1.547 53.779 55.300 0.044 0.000 0.969 807 M CB 1.349 33.964 32.600 0.024 0.000 1.659 807 M HN 0.422 nan 8.290 nan 0.000 0.462 808 P HA 0.519 nan 4.420 nan 0.000 0.281 808 P C -2.048 175.328 177.300 0.127 0.000 1.264 808 P CA -0.171 62.973 63.100 0.073 0.000 0.824 808 P CB 1.360 33.086 31.700 0.044 0.000 1.092 809 Y N -0.280 120.004 120.300 -0.027 0.000 2.479 809 Y HA 0.445 4.996 4.550 0.001 0.000 0.338 809 Y C -1.266 174.602 175.900 -0.053 0.000 1.055 809 Y CA -0.626 57.448 58.100 -0.043 0.000 1.023 809 Y CB 2.304 40.734 38.460 -0.050 0.000 1.287 809 Y HN 0.305 nan 8.280 nan 0.000 0.447 810 Q N 2.708 122.093 119.800 -0.692 0.000 2.397 810 Q HA 0.751 5.092 4.340 0.001 0.000 0.275 810 Q C -1.216 174.307 176.000 -0.797 0.000 1.090 810 Q CA -0.745 54.717 55.803 -0.568 0.000 0.809 810 Q CB 2.732 31.292 28.738 -0.298 0.000 1.362 810 Q HN 0.750 nan 8.270 nan 0.000 0.431 811 T N -0.345 113.901 114.554 -0.513 0.000 2.769 811 T HA 0.740 5.091 4.350 0.001 0.000 0.306 811 T C -1.628 172.905 174.700 -0.279 0.000 1.400 811 T CA -0.413 61.473 62.100 -0.357 0.000 1.007 811 T CB 1.328 70.040 68.868 -0.260 0.000 1.392 811 T HN 0.702 nan 8.240 nan 0.000 0.500 812 T N 1.251 115.674 114.554 -0.219 0.000 2.841 812 T HA 0.822 5.173 4.350 0.001 0.000 0.283 812 T C -0.694 173.910 174.700 -0.160 0.000 1.000 812 T CA -0.730 61.237 62.100 -0.222 0.000 0.977 812 T CB 0.870 69.619 68.868 -0.199 0.000 0.979 812 T HN 0.473 nan 8.240 nan 0.000 0.446 813 L N 1.798 122.922 121.223 -0.165 0.000 2.235 813 L HA 0.766 5.106 4.340 0.001 0.000 0.260 813 L C -0.088 176.732 176.870 -0.083 0.000 1.025 813 L CA -1.257 53.519 54.840 -0.107 0.000 0.836 813 L CB 2.155 44.155 42.059 -0.098 0.000 1.395 813 L HN 0.952 nan 8.230 nan 0.000 0.443 814 Q N -0.714 119.067 119.800 -0.032 0.000 2.814 814 Q HA 0.296 4.636 4.340 0.001 0.000 0.322 814 Q C -1.248 174.785 176.000 0.055 0.000 0.888 814 Q CA -0.977 54.829 55.803 0.005 0.000 0.768 814 Q CB 1.544 30.289 28.738 0.011 0.000 1.443 814 Q HN 0.473 nan 8.270 nan 0.000 0.497 815 Q N -0.415 119.441 119.800 0.093 0.000 2.368 815 Q HA 0.182 4.523 4.340 0.001 0.000 0.331 815 Q C 0.581 176.701 176.000 0.201 0.000 1.086 815 Q CA 2.261 58.158 55.803 0.156 0.000 1.031 815 Q CB -0.374 28.485 28.738 0.203 0.000 1.125 815 Q HN 0.986 nan 8.270 nan 0.000 0.389 816 G N 3.393 112.335 108.800 0.235 0.000 2.217 816 G HA2 -0.203 3.758 3.960 0.001 0.000 0.246 816 G HA3 -0.203 3.758 3.960 0.001 0.000 0.246 816 G C -0.397 174.644 174.900 0.235 0.000 0.990 816 G CA 0.102 45.391 45.100 0.316 0.000 0.627 816 G HN 0.702 nan 8.290 nan 0.000 0.522 817 D N 0.639 121.131 120.400 0.153 0.000 2.313 817 D HA 0.579 5.219 4.640 0.001 0.000 0.247 817 D C 0.768 177.197 176.300 0.215 0.000 1.094 817 D CA 0.429 54.490 54.000 0.101 0.000 0.925 817 D CB 0.570 41.378 40.800 0.013 0.000 1.188 817 D HN 0.585 nan 8.370 nan 0.000 0.430 818 W N 0.455 121.813 121.300 0.096 0.000 3.033 818 W HA 0.616 5.277 4.660 0.001 0.000 0.336 818 W C -2.136 174.480 176.519 0.161 0.000 1.173 818 W CA -0.987 56.435 57.345 0.130 0.000 1.185 818 W CB 0.231 29.759 29.460 0.112 0.000 1.425 818 W HN 0.062 nan 8.180 nan 0.000 0.536 819 L N 2.555 124.126 121.223 0.580 0.000 2.350 819 L HA 0.648 4.988 4.340 0.001 0.000 0.260 819 L C -0.355 176.900 176.870 0.640 0.000 1.015 819 L CA -1.084 54.056 54.840 0.500 0.000 0.821 819 L CB 2.214 44.511 42.059 0.396 0.000 1.370 819 L HN 0.362 nan 8.230 nan 0.000 0.416 820 I N 0.890 121.782 120.570 0.536 0.000 2.466 820 I HA 0.352 4.523 4.170 0.001 0.000 0.289 820 I C -0.842 175.424 176.117 0.249 0.000 1.026 820 I CA -0.806 60.735 61.300 0.402 0.000 1.078 820 I CB 1.894 40.121 38.000 0.378 0.000 1.249 820 I HN 0.701 nan 8.210 nan 0.000 0.429 821 D N 3.426 123.866 120.400 0.067 0.000 2.447 821 D HA 0.137 4.778 4.640 0.001 0.000 0.265 821 D C 0.716 177.061 176.300 0.075 0.000 1.250 821 D CA -0.543 53.393 54.000 -0.108 0.000 1.046 821 D CB 0.649 41.105 40.800 -0.573 0.000 1.095 821 D HN 0.338 nan 8.370 nan 0.000 0.555 822 S N -1.278 114.466 115.700 0.073 0.000 2.561 822 S HA -0.034 4.437 4.470 0.001 0.000 0.225 822 S C 0.748 175.281 174.600 -0.113 0.000 0.977 822 S CA 0.184 58.361 58.200 -0.039 0.000 0.926 822 S CB -0.710 62.443 63.200 -0.078 0.000 0.769 822 S HN 0.482 nan 8.310 nan 0.000 0.533 823 N N 0.578 119.189 118.700 -0.148 0.000 2.235 823 N HA 0.291 5.032 4.740 0.001 0.000 0.209 823 N C 0.941 176.465 175.510 0.024 0.000 1.122 823 N CA 0.263 53.272 53.050 -0.069 0.000 0.845 823 N CB 0.640 39.085 38.487 -0.070 0.000 1.004 823 N HN 0.366 nan 8.380 nan 0.000 0.499 824 G N 0.592 109.421 108.800 0.048 0.000 2.143 824 G HA2 -0.258 3.702 3.960 0.001 0.000 0.249 824 G HA3 -0.258 3.702 3.960 0.001 0.000 0.249 824 G C -0.549 174.386 174.900 0.059 0.000 0.981 824 G CA -0.425 44.716 45.100 0.069 0.000 0.665 824 G HN 0.307 nan 8.290 nan 0.000 0.528 825 N N 0.841 119.568 118.700 0.044 0.000 2.455 825 N HA 0.528 5.269 4.740 0.001 0.000 0.280 825 N C 0.482 175.902 175.510 -0.150 0.000 1.055 825 N CA 0.576 53.588 53.050 -0.064 0.000 0.961 825 N CB 1.623 40.054 38.487 -0.095 0.000 1.121 825 N HN 0.439 nan 8.380 nan 0.000 0.476 826 G N 1.215 109.922 108.800 -0.155 0.000 2.348 826 G HA2 0.477 4.438 3.960 0.001 0.000 0.312 826 G HA3 0.477 4.438 3.960 0.001 0.000 0.312 826 G C -1.253 173.541 174.900 -0.176 0.000 1.126 826 G CA -0.298 44.795 45.100 -0.012 0.000 0.865 826 G HN 0.415 nan 8.290 nan 0.000 0.474 827 Y N 1.468 121.954 120.300 0.310 0.000 2.328 827 Y HA 0.414 4.964 4.550 0.001 0.000 0.333 827 Y C -0.104 175.999 175.900 0.338 0.000 0.958 827 Y CA -1.008 57.273 58.100 0.303 0.000 1.167 827 Y CB 2.122 40.703 38.460 0.202 0.000 1.151 827 Y HN 0.449 nan 8.280 nan 0.000 0.470 828 L N 5.291 126.783 121.223 0.448 0.000 2.280 828 L HA 0.594 4.935 4.340 0.001 0.000 0.287 828 L C -0.857 176.163 176.870 0.250 0.000 1.023 828 L CA -0.457 54.594 54.840 0.352 0.000 0.819 828 L CB 0.403 42.654 42.059 0.319 0.000 1.212 828 L HN 0.544 nan 8.230 nan 0.000 0.420 829 I N 5.195 125.871 120.570 0.178 0.000 2.379 829 I HA 0.166 4.337 4.170 0.001 0.000 0.290 829 I C 0.986 177.094 176.117 -0.014 0.000 1.063 829 I CA 0.255 61.630 61.300 0.125 0.000 1.351 829 I CB 0.919 38.970 38.000 0.084 0.000 1.410 829 I HN 0.838 nan 8.210 nan 0.000 0.505 830 T N 1.311 115.871 114.554 0.011 0.000 2.969 830 T HA 0.095 4.445 4.350 0.001 0.000 0.250 830 T C 0.529 175.326 174.700 0.162 0.000 1.021 830 T CA -0.089 61.891 62.100 -0.200 0.000 1.003 830 T CB 0.520 69.257 68.868 -0.217 0.000 1.040 830 T HN 0.530 nan 8.240 nan 0.000 0.492 831 Q N 0.707 120.639 119.800 0.220 0.000 2.406 831 Q HA 0.608 4.948 4.340 0.001 0.000 0.244 831 Q C -2.203 173.932 176.000 0.226 0.000 0.884 831 Q CA -0.412 55.527 55.803 0.227 0.000 0.813 831 Q CB 1.710 30.582 28.738 0.224 0.000 1.368 831 Q HN 0.514 nan 8.270 nan 0.000 0.439 832 A N 3.307 126.229 122.820 0.170 0.000 2.580 832 A HA 0.255 4.576 4.320 0.001 0.000 0.301 832 A C -0.370 177.261 177.584 0.079 0.000 1.054 832 A CA -0.392 51.726 52.037 0.135 0.000 0.751 832 A CB 1.206 20.266 19.000 0.099 0.000 1.275 832 A HN 0.752 nan 8.150 nan 0.000 0.403 833 E N 0.332 120.568 120.200 0.060 0.000 2.170 833 E HA 0.052 4.403 4.350 0.001 0.000 0.191 833 E C 0.376 176.968 176.600 -0.014 0.000 0.981 833 E CA 0.798 57.216 56.400 0.031 0.000 0.830 833 E CB 0.176 29.898 29.700 0.036 0.000 0.775 833 E HN 0.446 nan 8.360 nan 0.000 0.470 834 K N 0.479 120.849 120.400 -0.049 0.000 2.652 834 K HA 0.266 4.587 4.320 0.001 0.000 0.249 834 K C -1.893 174.589 176.600 -0.197 0.000 0.986 834 K CA -0.336 55.883 56.287 -0.112 0.000 0.867 834 K CB 1.832 34.273 32.500 -0.098 0.000 1.201 834 K HN -0.176 nan 8.250 nan 0.000 0.450 835 V N 3.841 123.609 119.914 -0.243 0.000 2.378 835 V HA 0.307 4.428 4.120 0.001 0.000 0.288 835 V C -0.498 175.292 176.094 -0.506 0.000 1.016 835 V CA -0.997 61.083 62.300 -0.367 0.000 0.840 835 V CB 1.446 33.104 31.823 -0.276 0.000 0.994 835 V HN 0.761 nan 8.190 nan 0.000 0.431 836 N N 2.789 120.971 118.700 -0.864 0.000 2.518 836 N HA 0.630 5.371 4.740 0.001 0.000 0.283 836 N C -0.905 173.947 175.510 -1.097 0.000 1.119 836 N CA -0.383 52.024 53.050 -1.072 0.000 0.983 836 N CB 1.947 39.479 38.487 -1.592 0.000 1.139 836 N HN 0.454 nan 8.380 nan 0.000 0.465 837 V N 0.769 120.268 119.914 -0.692 0.000 2.656 837 V HA 0.631 4.752 4.120 0.001 0.000 0.307 837 V C -0.541 175.379 176.094 -0.290 0.000 1.051 837 V CA -0.622 61.422 62.300 -0.427 0.000 0.893 837 V CB 1.639 33.371 31.823 -0.152 0.000 0.999 837 V HN 0.677 nan 8.190 nan 0.000 0.426 838 S N 4.557 120.179 115.700 -0.130 0.000 2.572 838 S HA 0.664 5.134 4.470 0.001 0.000 0.274 838 S C -1.044 173.605 174.600 0.081 0.000 1.150 838 S CA -0.800 57.411 58.200 0.018 0.000 0.944 838 S CB 1.372 64.657 63.200 0.142 0.000 1.071 838 S HN 0.725 nan 8.310 nan 0.000 0.479 839 R N 3.111 123.685 120.500 0.122 0.000 2.337 839 R HA 0.496 4.837 4.340 0.001 0.000 0.319 839 R C -0.827 175.528 176.300 0.093 0.000 0.954 839 R CA -0.516 55.646 56.100 0.104 0.000 0.840 839 R CB 1.543 31.913 30.300 0.116 0.000 1.164 839 R HN 0.789 nan 8.270 nan 0.000 0.472 840 Q N 0.409 120.261 119.800 0.086 0.000 2.435 840 Q HA 0.245 4.586 4.340 0.001 0.000 0.282 840 Q C -1.309 174.765 176.000 0.124 0.000 1.020 840 Q CA -1.165 54.693 55.803 0.092 0.000 0.820 840 Q CB 1.487 30.263 28.738 0.063 0.000 1.436 840 Q HN 0.538 nan 8.270 nan 0.000 0.395 841 H N 1.118 120.211 119.070 0.039 0.000 2.886 841 H HA 0.193 4.749 4.556 0.001 0.000 0.329 841 H C -1.042 174.311 175.328 0.043 0.000 1.044 841 H CA 0.840 56.917 56.048 0.047 0.000 1.456 841 H CB 0.880 30.655 29.762 0.022 0.000 1.464 841 H HN 0.481 nan 8.280 nan 0.000 0.573 842 Q N 3.614 123.171 119.800 -0.405 0.000 2.356 842 Q HA 0.460 4.800 4.340 0.001 0.000 0.270 842 Q C -1.161 174.606 176.000 -0.388 0.000 1.058 842 Q CA -1.264 54.356 55.803 -0.304 0.000 0.802 842 Q CB 3.001 31.588 28.738 -0.251 0.000 1.303 842 Q HN 0.396 nan 8.270 nan 0.000 0.444 843 V N 1.396 121.171 119.914 -0.231 0.000 2.427 843 V HA 0.578 4.699 4.120 0.001 0.000 0.286 843 V C -0.161 175.859 176.094 -0.123 0.000 1.034 843 V CA -0.111 62.107 62.300 -0.137 0.000 0.893 843 V CB 1.513 33.311 31.823 -0.042 0.000 0.982 843 V HN 0.820 nan 8.190 nan 0.000 0.452 844 S N 2.578 118.228 115.700 -0.085 0.000 2.998 844 S HA 0.971 5.441 4.470 0.001 0.000 0.321 844 S C -0.968 173.638 174.600 0.011 0.000 1.171 844 S CA 0.136 58.298 58.200 -0.064 0.000 0.882 844 S CB 1.936 65.076 63.200 -0.101 0.000 1.301 844 S HN 1.251 nan 8.310 nan 0.000 0.629 845 A N 1.064 123.943 122.820 0.097 0.000 2.549 845 A HA 0.718 5.038 4.320 0.001 0.000 0.297 845 A C -1.311 176.505 177.584 0.386 0.000 1.061 845 A CA -0.710 51.429 52.037 0.169 0.000 0.690 845 A CB 1.280 20.349 19.000 0.115 0.000 1.287 845 A HN 0.788 nan 8.150 nan 0.000 0.402 846 E N 0.099 120.489 120.200 0.317 0.000 2.345 846 E HA 0.325 4.676 4.350 0.001 0.000 0.259 846 E C 0.393 177.181 176.600 0.313 0.000 1.117 846 E CA 0.047 56.663 56.400 0.359 0.000 0.913 846 E CB 0.298 30.129 29.700 0.218 0.000 1.057 846 E HN 0.677 nan 8.360 nan 0.000 0.432 847 N N 0.484 119.342 118.700 0.265 0.000 2.463 847 N HA -0.073 4.667 4.740 0.001 0.000 0.181 847 N C 0.817 176.281 175.510 -0.077 0.000 1.078 847 N CA 0.285 53.335 53.050 -0.001 0.000 0.902 847 N CB 0.236 38.691 38.487 -0.054 0.000 0.970 847 N HN 0.200 nan 8.380 nan 0.000 0.451 848 K N 0.453 120.867 120.400 0.023 0.000 2.108 848 K HA 0.142 4.462 4.320 0.001 0.000 0.204 848 K C 0.585 177.171 176.600 -0.024 0.000 1.036 848 K CA 0.776 57.064 56.287 0.002 0.000 0.965 848 K CB -0.130 32.404 32.500 0.057 0.000 0.804 848 K HN 0.240 nan 8.250 nan 0.000 0.454 849 N N 0.706 119.414 118.700 0.013 0.000 2.200 849 N HA 0.109 4.849 4.740 0.001 0.000 0.224 849 N C -0.620 174.905 175.510 0.026 0.000 1.179 849 N CA -0.022 53.032 53.050 0.006 0.000 0.877 849 N CB 0.938 39.439 38.487 0.022 0.000 1.072 849 N HN 0.135 nan 8.380 nan 0.000 0.519 850 R N 0.098 120.636 120.500 0.063 0.000 3.770 850 R HA -0.149 4.191 4.340 0.001 0.000 0.305 850 R C -0.495 175.886 176.300 0.136 0.000 1.184 850 R CA 0.646 56.840 56.100 0.157 0.000 0.823 850 R CB -1.467 28.897 30.300 0.106 0.000 1.285 850 R HN 0.216 nan 8.270 nan 0.000 0.499 851 Q N 0.976 120.842 119.800 0.110 0.000 2.299 851 Q HA 0.280 4.621 4.340 0.001 0.000 0.246 851 Q C -2.030 174.026 176.000 0.094 0.000 0.935 851 Q CA -2.175 53.679 55.803 0.086 0.000 0.887 851 Q CB 0.429 29.208 28.738 0.068 0.000 1.223 851 Q HN 0.016 nan 8.270 nan 0.000 0.439 852 P HA 0.034 nan 4.420 nan 0.000 0.268 852 P C -0.410 176.927 177.300 0.063 0.000 1.205 852 P CA 0.145 63.281 63.100 0.060 0.000 0.771 852 P CB 0.590 32.319 31.700 0.047 0.000 0.858 853 T N -0.606 113.981 114.554 0.055 0.000 2.864 853 T HA 0.697 5.047 4.350 0.001 0.000 0.289 853 T C -0.740 173.973 174.700 0.022 0.000 1.082 853 T CA -0.767 61.362 62.100 0.049 0.000 1.009 853 T CB 2.122 71.023 68.868 0.057 0.000 1.234 853 T HN 0.374 nan 8.240 nan 0.000 0.526 854 E N -1.418 118.798 120.200 0.026 0.000 2.412 854 E HA 0.645 4.996 4.350 0.001 0.000 0.279 854 E C -0.902 175.713 176.600 0.026 0.000 0.984 854 E CA -1.223 55.160 56.400 -0.027 0.000 0.788 854 E CB 2.331 32.072 29.700 0.068 0.000 1.277 854 E HN 1.166 nan 8.360 nan 0.000 0.455 855 G N 1.106 109.900 108.800 -0.010 0.000 2.466 855 G HA2 0.260 4.221 3.960 0.001 0.000 0.291 855 G HA3 0.260 4.221 3.960 0.001 0.000 0.291 855 G C -1.721 173.206 174.900 0.045 0.000 1.460 855 G CA -0.838 44.301 45.100 0.065 0.000 0.791 855 G HN 0.314 nan 8.290 nan 0.000 0.505 856 N N -0.190 118.431 118.700 -0.132 0.000 2.419 856 N HA 0.705 5.445 4.740 0.001 0.000 0.277 856 N C -1.457 173.840 175.510 -0.355 0.000 1.006 856 N CA -0.026 52.974 53.050 -0.083 0.000 0.923 856 N CB 1.573 40.036 38.487 -0.041 0.000 1.140 856 N HN 0.263 nan 8.380 nan 0.000 0.488 857 F N -0.252 119.652 119.950 -0.076 0.000 2.576 857 F HA 0.360 4.888 4.527 0.001 0.000 0.313 857 F C 0.395 176.118 175.800 -0.129 0.000 1.078 857 F CA -0.707 57.221 58.000 -0.120 0.000 0.921 857 F CB 1.744 40.620 39.000 -0.208 0.000 1.232 857 F HN 0.133 nan 8.300 nan 0.000 0.459 858 S N 1.329 117.010 115.700 -0.031 0.000 2.462 858 S HA 0.765 5.235 4.470 0.001 0.000 0.294 858 S C -0.643 173.894 174.600 -0.104 0.000 1.144 858 S CA -0.662 57.509 58.200 -0.048 0.000 1.088 858 S CB 1.320 64.465 63.200 -0.092 0.000 1.009 858 S HN 0.678 nan 8.310 nan 0.000 0.484 859 S N 1.122 116.686 115.700 -0.227 0.000 2.596 859 S HA 0.900 5.371 4.470 0.001 0.000 0.270 859 S C -1.204 172.959 174.600 -0.729 0.000 1.155 859 S CA -0.958 56.836 58.200 -0.678 0.000 0.827 859 S CB 1.566 64.563 63.200 -0.338 0.000 1.130 859 S HN 1.053 nan 8.310 nan 0.000 0.467 860 A N 0.801 123.000 122.820 -1.034 0.000 2.515 860 A HA 0.896 5.216 4.320 0.001 0.000 0.298 860 A C -1.495 175.868 177.584 -0.368 0.000 1.059 860 A CA -0.861 50.778 52.037 -0.664 0.000 0.698 860 A CB 0.831 19.446 19.000 -0.641 0.000 1.289 860 A HN 1.832 nan 8.150 nan 0.000 0.404 861 W N 0.805 121.838 121.300 -0.445 0.000 3.167 861 W HA 0.744 5.404 4.660 0.001 0.000 0.324 861 W C -1.604 174.705 176.519 -0.350 0.000 1.230 861 W CA -1.037 56.072 57.345 -0.394 0.000 1.184 861 W CB 0.562 29.826 29.460 -0.326 0.000 1.414 861 W HN 0.548 nan 8.180 nan 0.000 0.551 862 I N 2.904 123.333 120.570 -0.236 0.000 2.441 862 I HA 0.071 4.241 4.170 0.001 0.000 0.287 862 I C -0.032 175.900 176.117 -0.308 0.000 1.049 862 I CA -0.091 61.001 61.300 -0.348 0.000 1.381 862 I CB 0.657 38.412 38.000 -0.409 0.000 1.409 862 I HN 0.398 nan 8.210 nan 0.000 0.523 863 D N 5.788 126.036 120.400 -0.254 0.000 2.380 863 D HA 0.104 4.744 4.640 0.001 0.000 0.230 863 D C 0.811 177.031 176.300 -0.134 0.000 1.154 863 D CA -0.118 53.821 54.000 -0.101 0.000 0.859 863 D CB 0.551 41.323 40.800 -0.045 0.000 1.045 863 D HN 0.390 nan 8.370 nan 0.000 0.495 864 H N 1.706 120.836 119.070 0.100 0.000 2.551 864 H HA -0.028 4.528 4.556 0.001 0.000 0.266 864 H C 1.814 177.188 175.328 0.076 0.000 0.977 864 H CA 0.703 56.812 56.048 0.102 0.000 1.163 864 H CB 0.180 30.024 29.762 0.137 0.000 1.381 864 H HN 0.441 nan 8.280 nan 0.000 0.581 865 S N 0.566 116.353 115.700 0.145 0.000 2.500 865 S HA -0.134 4.336 4.470 0.001 0.000 0.239 865 S C 2.089 176.732 174.600 0.072 0.000 0.989 865 S CA 1.196 59.452 58.200 0.094 0.000 0.951 865 S CB -0.677 62.559 63.200 0.060 0.000 0.759 865 S HN 0.512 nan 8.310 nan 0.000 0.523 866 T N -1.118 113.479 114.554 0.071 0.000 3.007 866 T HA 0.067 4.417 4.350 0.001 0.000 0.270 866 T C 0.833 175.573 174.700 0.066 0.000 1.107 866 T CA 0.507 62.640 62.100 0.055 0.000 1.118 866 T CB -0.321 68.574 68.868 0.045 0.000 0.889 866 T HN 0.423 nan 8.240 nan 0.000 0.506 867 R N 1.673 122.227 120.500 0.091 0.000 2.467 867 R HA 0.349 4.689 4.340 0.001 0.000 0.299 867 R C -2.218 174.128 176.300 0.076 0.000 1.120 867 R CA -2.020 54.129 56.100 0.082 0.000 0.940 867 R CB 1.566 31.926 30.300 0.100 0.000 1.161 867 R HN -0.025 nan 8.270 nan 0.000 0.506 868 P HA -0.139 nan 4.420 nan 0.000 0.222 868 P C -0.586 176.742 177.300 0.046 0.000 1.147 868 P CA 1.062 64.192 63.100 0.051 0.000 0.790 868 P CB 0.313 32.036 31.700 0.039 0.000 0.780 869 K N 0.203 120.626 120.400 0.039 0.000 2.482 869 K HA 0.204 4.524 4.320 0.001 0.000 0.251 869 K C -0.858 175.753 176.600 0.019 0.000 0.936 869 K CA -0.507 55.797 56.287 0.027 0.000 0.791 869 K CB 1.010 33.522 32.500 0.021 0.000 1.213 869 K HN -0.315 nan 8.250 nan 0.000 0.428 870 D N 1.409 121.812 120.400 0.004 0.000 2.697 870 D HA -0.194 4.446 4.640 0.001 0.000 0.238 870 D C -0.282 176.014 176.300 -0.007 0.000 1.152 870 D CA 1.277 55.267 54.000 -0.015 0.000 0.666 870 D CB -1.080 39.710 40.800 -0.017 0.000 1.037 870 D HN 0.727 nan 8.370 nan 0.000 0.423 871 A N 0.461 123.281 122.820 -0.000 0.000 2.475 871 A HA 0.543 4.863 4.320 0.001 0.000 0.239 871 A C 0.972 178.540 177.584 -0.027 0.000 1.087 871 A CA 0.745 52.795 52.037 0.022 0.000 0.779 871 A CB 0.591 19.619 19.000 0.047 0.000 1.036 871 A HN 0.726 nan 8.150 nan 0.000 0.506 872 S N -1.130 114.609 115.700 0.066 0.000 2.588 872 S HA 0.776 5.246 4.470 0.001 0.000 0.269 872 S C -0.917 173.839 174.600 0.260 0.000 1.157 872 S CA -0.268 57.950 58.200 0.030 0.000 0.824 872 S CB 1.168 64.362 63.200 -0.009 0.000 1.126 872 S HN 1.862 nan 8.310 nan 0.000 0.464 873 Y N -1.443 118.973 120.300 0.194 0.000 2.638 873 Y HA 0.886 5.436 4.550 0.001 0.000 0.335 873 Y C -1.332 174.691 175.900 0.206 0.000 1.155 873 Y CA -1.021 57.234 58.100 0.260 0.000 1.046 873 Y CB 0.979 39.678 38.460 0.398 0.000 1.303 873 Y HN 0.811 nan 8.280 nan 0.000 0.460 874 E N 1.060 121.543 120.200 0.472 0.000 2.343 874 E HA 0.514 4.864 4.350 0.001 0.000 0.278 874 E C -2.025 174.864 176.600 0.482 0.000 0.910 874 E CA -0.993 55.629 56.400 0.370 0.000 0.757 874 E CB 3.138 32.995 29.700 0.262 0.000 1.218 874 E HN 0.710 nan 8.360 nan 0.000 0.435 875 Y N -0.505 119.963 120.300 0.281 0.000 2.689 875 Y HA 0.697 5.247 4.550 0.001 0.000 0.333 875 Y C -1.610 174.404 175.900 0.191 0.000 1.208 875 Y CA -1.285 56.931 58.100 0.194 0.000 1.055 875 Y CB 1.568 40.124 38.460 0.160 0.000 1.304 875 Y HN 0.522 nan 8.280 nan 0.000 0.455 876 M N 2.350 122.144 119.600 0.323 0.000 2.386 876 M HA 0.733 5.214 4.480 0.001 0.000 0.293 876 M C -2.240 174.111 176.300 0.085 0.000 1.120 876 M CA -0.843 54.505 55.300 0.081 0.000 0.909 876 M CB 2.235 34.825 32.600 -0.018 0.000 1.661 876 M HN 0.640 nan 8.290 nan 0.000 0.452 877 V N 4.652 124.524 119.914 -0.070 0.000 2.435 877 V HA 0.525 4.646 4.120 0.001 0.000 0.290 877 V C -1.164 174.632 176.094 -0.497 0.000 1.030 877 V CA -0.349 61.858 62.300 -0.154 0.000 0.881 877 V CB 1.630 33.513 31.823 0.099 0.000 0.983 877 V HN 0.673 nan 8.190 nan 0.000 0.445 878 F N 4.507 124.414 119.950 -0.071 0.000 2.426 878 F HA 0.477 5.004 4.527 0.001 0.000 0.348 878 F C 0.878 176.642 175.800 -0.059 0.000 1.124 878 F CA -0.582 57.384 58.000 -0.057 0.000 1.008 878 F CB 1.502 40.448 39.000 -0.089 0.000 1.139 878 F HN 0.277 nan 8.300 nan 0.000 0.452 879 L N 1.819 123.101 121.223 0.098 0.000 2.478 879 L HA -0.021 4.320 4.340 0.001 0.000 0.223 879 L C 0.554 177.545 176.870 0.202 0.000 1.140 879 L CA 0.640 55.566 54.840 0.143 0.000 0.842 879 L CB -0.253 41.925 42.059 0.197 0.000 0.953 879 L HN 0.597 nan 8.230 nan 0.000 0.452 880 D N -0.563 119.957 120.400 0.200 0.000 2.891 880 D HA 0.224 4.865 4.640 0.001 0.000 0.312 880 D C 0.254 176.608 176.300 0.090 0.000 1.354 880 D CA -0.348 53.768 54.000 0.193 0.000 0.838 880 D CB 0.145 41.133 40.800 0.314 0.000 1.117 880 D HN -0.029 nan 8.370 nan 0.000 0.473 881 A N 0.679 123.531 122.820 0.054 0.000 2.407 881 A HA 0.602 4.922 4.320 0.001 0.000 0.248 881 A C 0.673 178.196 177.584 -0.103 0.000 1.082 881 A CA -0.012 51.998 52.037 -0.046 0.000 0.785 881 A CB 0.344 19.323 19.000 -0.034 0.000 1.020 881 A HN 0.438 nan 8.150 nan 0.000 0.489 882 T N -0.761 113.666 114.554 -0.212 0.000 2.901 882 T HA 0.625 4.975 4.350 0.001 0.000 0.293 882 T C -2.461 171.980 174.700 -0.432 0.000 1.084 882 T CA -1.618 60.318 62.100 -0.272 0.000 1.008 882 T CB 1.586 70.332 68.868 -0.203 0.000 1.170 882 T HN 0.194 nan 8.240 nan 0.000 0.509 883 P HA -0.144 nan 4.420 nan 0.000 0.216 883 P C 1.432 178.491 177.300 -0.403 0.000 1.153 883 P CA 1.458 64.256 63.100 -0.504 0.000 0.858 883 P CB 0.157 31.434 31.700 -0.705 0.000 0.789 884 E N 0.574 120.585 120.200 -0.315 0.000 2.007 884 E HA -0.228 4.123 4.350 0.001 0.000 0.194 884 E C 1.836 178.259 176.600 -0.295 0.000 0.999 884 E CA 1.548 57.807 56.400 -0.234 0.000 0.811 884 E CB -0.481 29.121 29.700 -0.165 0.000 0.762 884 E HN 0.043 nan 8.360 nan 0.000 0.450 885 K N -0.496 119.715 120.400 -0.314 0.000 2.103 885 K HA -0.150 4.170 4.320 0.001 0.000 0.207 885 K C 2.199 178.473 176.600 -0.545 0.000 1.048 885 K CA 1.590 57.666 56.287 -0.353 0.000 0.930 885 K CB -0.123 32.205 32.500 -0.286 0.000 0.716 885 K HN 0.300 nan 8.250 nan 0.000 0.444 886 M N -0.250 118.910 119.600 -0.734 0.000 2.175 886 M HA -0.050 4.430 4.480 0.001 0.000 0.264 886 M C 2.356 178.061 176.300 -0.991 0.000 1.063 886 M CA 1.393 56.029 55.300 -1.107 0.000 1.119 886 M CB -1.399 30.080 32.600 -1.868 0.000 1.377 886 M HN 0.266 nan 8.290 nan 0.000 0.415 887 G N 0.193 108.593 108.800 -0.666 0.000 2.440 887 G HA2 -0.221 3.740 3.960 0.001 0.000 0.218 887 G HA3 -0.221 3.740 3.960 0.001 0.000 0.218 887 G C 1.510 176.290 174.900 -0.199 0.000 1.154 887 G CA 0.822 45.772 45.100 -0.250 0.000 0.767 887 G HN 0.518 nan 8.290 nan 0.000 0.552 888 E N -0.252 119.803 120.200 -0.243 0.000 2.058 888 E HA -0.127 4.224 4.350 0.001 0.000 0.194 888 E C 2.690 179.168 176.600 -0.203 0.000 0.997 888 E CA 1.064 57.351 56.400 -0.189 0.000 0.801 888 E CB -0.163 29.422 29.700 -0.192 0.000 0.746 888 E HN 0.269 nan 8.360 nan 0.000 0.450 889 M N 0.298 119.689 119.600 -0.348 0.000 2.117 889 M HA -0.101 4.380 4.480 0.001 0.000 0.262 889 M C 2.476 178.717 176.300 -0.099 0.000 1.065 889 M CA 1.295 56.397 55.300 -0.330 0.000 1.114 889 M CB -1.111 31.019 32.600 -0.784 0.000 1.361 889 M HN 0.120 nan 8.290 nan 0.000 0.408 890 A N -0.464 122.299 122.820 -0.095 0.000 1.933 890 A HA -0.209 4.111 4.320 0.001 0.000 0.218 890 A C 2.192 179.878 177.584 0.170 0.000 1.175 890 A CA 1.714 53.829 52.037 0.130 0.000 0.628 890 A CB -0.764 18.362 19.000 0.209 0.000 0.814 890 A HN 0.608 nan 8.150 nan 0.000 0.444 891 Q N -0.278 119.560 119.800 0.063 0.000 2.046 891 Q HA -0.182 4.159 4.340 0.001 0.000 0.200 891 Q C 1.995 178.013 176.000 0.030 0.000 0.975 891 Q CA 1.612 57.440 55.803 0.041 0.000 0.836 891 Q CB -0.140 28.599 28.738 0.003 0.000 0.896 891 Q HN 0.627 nan 8.270 nan 0.000 0.428 892 K N -0.141 120.273 120.400 0.023 0.000 2.063 892 K HA -0.189 4.132 4.320 0.001 0.000 0.208 892 K C 1.976 178.616 176.600 0.067 0.000 1.048 892 K CA 1.344 57.646 56.287 0.024 0.000 0.928 892 K CB -0.344 32.163 32.500 0.012 0.000 0.713 892 K HN 0.205 nan 8.250 nan 0.000 0.442 893 F N 2.188 122.128 119.950 -0.018 0.000 2.102 893 F HA -0.160 4.367 4.527 0.001 0.000 0.298 893 F C 2.028 177.817 175.800 -0.019 0.000 1.105 893 F CA 1.452 59.446 58.000 -0.011 0.000 1.239 893 F CB -0.161 38.868 39.000 0.047 0.000 0.991 893 F HN -0.136 nan 8.300 nan 0.000 0.474 894 R N 0.363 120.761 120.500 -0.171 0.000 2.237 894 R HA -0.085 4.255 4.340 0.001 0.000 0.219 894 R C 0.363 176.537 176.300 -0.209 0.000 1.080 894 R CA 0.977 56.920 56.100 -0.260 0.000 0.995 894 R CB -0.486 29.772 30.300 -0.069 0.000 0.875 894 R HN 0.424 nan 8.270 nan 0.000 0.462 895 E N 1.551 121.663 120.200 -0.146 0.000 2.110 895 E HA 0.017 4.367 4.350 0.001 0.000 0.300 895 E C -0.609 175.911 176.600 -0.133 0.000 1.278 895 E CA -0.202 56.132 56.400 -0.110 0.000 1.365 895 E CB -0.439 29.224 29.700 -0.063 0.000 1.283 895 E HN 0.225 nan 8.360 nan 0.000 0.490 896 N N 3.076 121.668 118.700 -0.179 0.000 2.721 896 N HA -0.258 4.483 4.740 0.001 0.000 0.249 896 N C -0.605 174.790 175.510 -0.192 0.000 1.072 896 N CA 0.010 52.956 53.050 -0.174 0.000 0.710 896 N CB -0.650 37.771 38.487 -0.110 0.000 0.993 896 N HN 0.431 nan 8.380 nan 0.000 0.547 897 N N -0.871 117.661 118.700 -0.279 0.000 2.607 897 N HA -0.160 4.580 4.740 0.001 0.000 0.285 897 N C 0.780 176.225 175.510 -0.109 0.000 1.151 897 N CA 1.188 54.117 53.050 -0.203 0.000 0.749 897 N CB -1.094 37.251 38.487 -0.236 0.000 0.923 897 N HN 0.580 nan 8.380 nan 0.000 0.552 898 G N 0.942 109.710 108.800 -0.053 0.000 2.848 898 G HA2 0.047 4.008 3.960 0.001 0.000 0.208 898 G HA3 0.047 4.008 3.960 0.001 0.000 0.208 898 G C 1.527 176.431 174.900 0.007 0.000 1.152 898 G CA 0.455 45.541 45.100 -0.024 0.000 0.789 898 G HN 0.535 nan 8.290 nan 0.000 0.531 899 L N -1.424 119.818 121.223 0.033 0.000 2.200 899 L HA 0.306 4.647 4.340 0.001 0.000 0.200 899 L C 0.806 177.761 176.870 0.143 0.000 1.072 899 L CA 0.346 55.247 54.840 0.103 0.000 0.787 899 L CB -0.028 42.177 42.059 0.243 0.000 0.957 899 L HN 0.442 nan 8.230 nan 0.000 0.459 900 Y N -2.340 117.985 120.300 0.042 0.000 2.713 900 Y HA 0.594 5.144 4.550 0.001 0.000 0.335 900 Y C -1.181 174.731 175.900 0.020 0.000 1.222 900 Y CA -1.486 56.617 58.100 0.006 0.000 1.061 900 Y CB 1.051 39.501 38.460 -0.017 0.000 1.314 900 Y HN -0.141 nan 8.280 nan 0.000 0.453 901 Q N 1.460 121.348 119.800 0.147 0.000 2.315 901 Q HA 0.678 5.019 4.340 0.001 0.000 0.273 901 Q C -2.189 173.901 176.000 0.149 0.000 1.053 901 Q CA -1.058 54.772 55.803 0.045 0.000 0.817 901 Q CB 2.888 31.622 28.738 -0.007 0.000 1.326 901 Q HN 0.784 nan 8.270 nan 0.000 0.423 902 V N 6.345 126.339 119.914 0.133 0.000 2.368 902 V HA 0.130 4.250 4.120 0.001 0.000 0.266 902 V C 0.903 176.989 176.094 -0.013 0.000 1.045 902 V CA 0.086 62.420 62.300 0.058 0.000 0.899 902 V CB 0.833 32.689 31.823 0.056 0.000 1.006 902 V HN 0.869 nan 8.190 nan 0.000 0.470 903 L N 3.843 125.037 121.223 -0.048 0.000 2.307 903 L HA 0.287 4.627 4.340 0.001 0.000 0.211 903 L C 1.161 178.000 176.870 -0.051 0.000 1.099 903 L CA 0.757 55.568 54.840 -0.048 0.000 0.816 903 L CB -0.010 42.016 42.059 -0.055 0.000 0.952 903 L HN 0.525 nan 8.230 nan 0.000 0.455 904 R N 0.118 120.573 120.500 -0.076 0.000 2.604 904 R HA 0.326 4.667 4.340 0.001 0.000 0.270 904 R C -1.108 175.128 176.300 -0.105 0.000 1.052 904 R CA -0.578 55.481 56.100 -0.067 0.000 0.902 904 R CB 1.562 31.830 30.300 -0.054 0.000 1.233 904 R HN -0.214 nan 8.270 nan 0.000 0.455 905 K N 3.157 123.497 120.400 -0.101 0.000 3.088 905 K HA 0.162 4.482 4.320 0.001 0.000 0.193 905 K C -1.764 174.799 176.600 -0.063 0.000 1.176 905 K CA -0.395 55.760 56.287 -0.220 0.000 0.907 905 K CB 0.318 32.654 32.500 -0.272 0.000 1.139 905 K HN 0.706 nan 8.250 nan 0.000 0.597 906 D N 0.111 120.563 120.400 0.087 0.000 2.732 906 D HA 0.079 4.719 4.640 0.001 0.000 0.292 906 D C 0.729 177.064 176.300 0.059 0.000 1.135 906 D CA -0.725 53.307 54.000 0.053 0.000 1.071 906 D CB 0.710 41.517 40.800 0.012 0.000 1.457 906 D HN 0.187 nan 8.370 nan 0.000 0.547 907 K N -0.622 119.764 120.400 -0.023 0.000 2.281 907 K HA -0.135 4.186 4.320 0.001 0.000 0.203 907 K C 0.139 176.708 176.600 -0.053 0.000 1.046 907 K CA 1.398 57.630 56.287 -0.093 0.000 0.938 907 K CB -0.112 32.339 32.500 -0.082 0.000 0.737 907 K HN 0.224 nan 8.250 nan 0.000 0.458 908 D N 0.569 120.977 120.400 0.012 0.000 2.338 908 D HA 0.064 4.705 4.640 0.001 0.000 0.224 908 D C 0.245 176.577 176.300 0.053 0.000 0.967 908 D CA 0.579 54.602 54.000 0.038 0.000 0.896 908 D CB 0.645 41.459 40.800 0.024 0.000 1.028 908 D HN 0.051 nan 8.370 nan 0.000 0.493 909 V N 0.335 120.269 119.914 0.034 0.000 2.888 909 V HA 0.318 4.438 4.120 0.001 0.000 0.309 909 V C -0.843 175.347 176.094 0.159 0.000 1.114 909 V CA -0.854 61.399 62.300 -0.080 0.000 0.940 909 V CB 2.595 34.187 31.823 -0.385 0.000 1.021 909 V HN 0.085 nan 8.190 nan 0.000 0.426 910 H N 3.809 122.856 119.070 -0.039 0.000 2.481 910 H HA 0.680 5.236 4.556 0.001 0.000 0.333 910 H C -1.112 174.118 175.328 -0.162 0.000 1.066 910 H CA -0.663 55.357 56.048 -0.047 0.000 1.209 910 H CB 2.196 32.001 29.762 0.072 0.000 1.445 910 H HN 0.476 nan 8.280 nan 0.000 0.488 911 I N 5.389 125.896 120.570 -0.104 0.000 2.447 911 I HA 0.267 4.438 4.170 0.001 0.000 0.287 911 I C -0.620 175.364 176.117 -0.223 0.000 1.023 911 I CA -0.421 60.721 61.300 -0.263 0.000 1.083 911 I CB 1.863 39.685 38.000 -0.297 0.000 1.245 911 I HN 0.396 nan 8.210 nan 0.000 0.434 912 I N 6.948 127.364 120.570 -0.257 0.000 2.410 912 I HA 0.279 4.450 4.170 0.001 0.000 0.286 912 I C -0.730 175.284 176.117 -0.171 0.000 1.009 912 I CA -0.753 60.443 61.300 -0.172 0.000 1.111 912 I CB 1.914 39.797 38.000 -0.195 0.000 1.262 912 I HN 0.351 nan 8.210 nan 0.000 0.443 913 L N 6.780 127.959 121.223 -0.073 0.000 2.260 913 L HA 0.428 4.769 4.340 0.001 0.000 0.289 913 L C -0.345 176.538 176.870 0.021 0.000 1.057 913 L CA 0.173 54.991 54.840 -0.037 0.000 0.811 913 L CB 0.820 42.886 42.059 0.011 0.000 1.184 913 L HN 0.440 nan 8.230 nan 0.000 0.429 914 D N 3.835 124.216 120.400 -0.032 0.000 2.347 914 D HA 0.164 4.804 4.640 0.001 0.000 0.235 914 D C 0.499 176.801 176.300 0.003 0.000 1.149 914 D CA -0.033 53.966 54.000 -0.001 0.000 0.850 914 D CB 1.070 41.835 40.800 -0.059 0.000 1.061 914 D HN 0.635 nan 8.370 nan 0.000 0.487 915 K N 2.774 123.197 120.400 0.038 0.000 2.366 915 K HA 0.083 4.403 4.320 0.001 0.000 0.198 915 K C 1.730 178.333 176.600 0.004 0.000 1.044 915 K CA 0.400 56.700 56.287 0.022 0.000 0.973 915 K CB 0.421 32.936 32.500 0.026 0.000 0.767 915 K HN 0.451 nan 8.250 nan 0.000 0.475 916 L N 0.549 121.758 121.223 -0.023 0.000 2.072 916 L HA -0.131 4.210 4.340 0.001 0.000 0.205 916 L C 2.317 179.203 176.870 0.026 0.000 1.079 916 L CA 1.438 56.260 54.840 -0.030 0.000 0.752 916 L CB -0.358 41.580 42.059 -0.202 0.000 0.906 916 L HN 0.222 nan 8.230 nan 0.000 0.436 917 S N -2.305 113.398 115.700 0.006 0.000 2.512 917 S HA 0.042 4.512 4.470 0.001 0.000 0.216 917 S C 0.897 175.367 174.600 -0.217 0.000 1.006 917 S CA 0.146 58.289 58.200 -0.096 0.000 0.915 917 S CB 0.040 63.109 63.200 -0.218 0.000 0.824 917 S HN 0.459 nan 8.310 nan 0.000 0.497 918 N N 0.232 118.859 118.700 -0.122 0.000 2.780 918 N HA -0.138 4.602 4.740 0.001 0.000 0.248 918 N C -1.079 174.336 175.510 -0.160 0.000 1.102 918 N CA 0.730 53.743 53.050 -0.060 0.000 0.697 918 N CB -1.805 36.723 38.487 0.068 0.000 1.028 918 N HN 0.397 nan 8.380 nan 0.000 0.554 919 V N 0.094 119.826 119.914 -0.304 0.000 2.769 919 V HA 0.637 4.757 4.120 0.001 0.000 0.312 919 V C 0.470 176.442 176.094 -0.204 0.000 1.061 919 V CA -0.461 61.611 62.300 -0.379 0.000 0.931 919 V CB 2.217 33.592 31.823 -0.747 0.000 1.010 919 V HN 0.204 nan 8.190 nan 0.000 0.433 920 T N 2.662 117.141 114.554 -0.125 0.000 2.807 920 T HA 0.674 5.025 4.350 0.001 0.000 0.279 920 T C 0.117 174.722 174.700 -0.158 0.000 0.993 920 T CA -0.421 61.597 62.100 -0.138 0.000 0.970 920 T CB 1.634 70.475 68.868 -0.045 0.000 0.950 920 T HN 0.983 nan 8.240 nan 0.000 0.441 921 G N 1.501 110.135 108.800 -0.276 0.000 2.416 921 G HA2 0.623 4.583 3.960 0.001 0.000 0.329 921 G HA3 0.623 4.583 3.960 0.001 0.000 0.329 921 G C -1.754 172.978 174.900 -0.279 0.000 1.173 921 G CA -0.534 44.463 45.100 -0.172 0.000 0.929 921 G HN 0.613 nan 8.290 nan 0.000 0.475 922 Y N 0.649 120.928 120.300 -0.035 0.000 2.363 922 Y HA 0.554 5.104 4.550 0.001 0.000 0.325 922 Y C 0.395 176.265 175.900 -0.051 0.000 0.984 922 Y CA -1.102 56.970 58.100 -0.048 0.000 1.248 922 Y CB 2.130 40.658 38.460 0.113 0.000 1.116 922 Y HN 0.728 nan 8.280 nan 0.000 0.470 923 A N 4.141 126.928 122.820 -0.054 0.000 2.366 923 A HA 0.544 4.865 4.320 0.001 0.000 0.322 923 A C -1.074 176.300 177.584 -0.349 0.000 1.397 923 A CA -0.429 51.492 52.037 -0.193 0.000 0.984 923 A CB -0.609 18.172 19.000 -0.363 0.000 1.149 923 A HN 0.633 nan 8.150 nan 0.000 0.540 924 F N 2.820 122.629 119.950 -0.235 0.000 2.509 924 F HA 0.212 4.739 4.527 0.001 0.000 0.350 924 F C 0.690 176.129 175.800 -0.602 0.000 1.220 924 F CA 0.237 58.072 58.000 -0.275 0.000 1.151 924 F CB 0.009 38.886 39.000 -0.204 0.000 1.379 924 F HN 0.722 nan 8.300 nan 0.000 0.610 925 Y N -0.042 120.093 120.300 -0.275 0.000 2.421 925 Y HA -0.082 4.468 4.550 0.001 0.000 0.292 925 Y C 1.038 176.703 175.900 -0.392 0.000 1.136 925 Y CA 0.617 58.457 58.100 -0.433 0.000 1.255 925 Y CB 0.068 38.395 38.460 -0.220 0.000 0.991 925 Y HN 0.323 nan 8.280 nan 0.000 0.552 926 Q N -0.918 118.831 119.800 -0.084 0.000 2.416 926 Q HA 0.341 4.681 4.340 0.001 0.000 0.281 926 Q C -2.865 173.155 176.000 0.034 0.000 1.067 926 Q CA -2.607 53.163 55.803 -0.055 0.000 0.809 926 Q CB 1.695 30.430 28.738 -0.005 0.000 1.418 926 Q HN -0.160 nan 8.270 nan 0.000 0.411 927 P HA 0.274 nan 4.420 nan 0.000 0.266 927 P C -1.279 176.082 177.300 0.102 0.000 1.195 927 P CA 0.246 63.351 63.100 0.008 0.000 0.768 927 P CB 0.520 32.197 31.700 -0.038 0.000 0.838 928 A N 1.933 124.856 122.820 0.173 0.000 2.604 928 A HA 0.577 4.898 4.320 0.001 0.000 0.295 928 A C -0.688 177.014 177.584 0.197 0.000 1.067 928 A CA -0.463 51.696 52.037 0.204 0.000 0.683 928 A CB 0.937 20.096 19.000 0.265 0.000 1.281 928 A HN 0.309 nan 8.150 nan 0.000 0.407 929 S N 0.380 116.158 115.700 0.130 0.000 2.562 929 S HA 0.716 5.186 4.470 0.001 0.000 0.275 929 S C 0.086 174.771 174.600 0.143 0.000 1.281 929 S CA -0.157 58.113 58.200 0.117 0.000 1.045 929 S CB 0.277 63.517 63.200 0.066 0.000 0.962 929 S HN 0.953 nan 8.310 nan 0.000 0.503 930 I N -0.695 119.968 120.570 0.155 0.000 3.174 930 I HA 0.697 4.868 4.170 0.001 0.000 0.313 930 I C -0.810 175.366 176.117 0.099 0.000 1.155 930 I CA -0.964 60.415 61.300 0.131 0.000 0.977 930 I CB 1.817 39.924 38.000 0.178 0.000 1.248 930 I HN 0.323 nan 8.210 nan 0.000 0.453 931 E N 2.165 122.410 120.200 0.074 0.000 2.133 931 E HA 0.478 4.828 4.350 0.001 0.000 0.274 931 E C -1.971 174.665 176.600 0.060 0.000 0.930 931 E CA -0.015 56.417 56.400 0.052 0.000 0.770 931 E CB 1.592 31.308 29.700 0.027 0.000 1.104 931 E HN 0.813 nan 8.360 nan 0.000 0.403 932 D N 2.510 122.941 120.400 0.052 0.000 2.683 932 D HA 0.091 4.732 4.640 0.001 0.000 0.246 932 D C 0.436 176.704 176.300 -0.052 0.000 1.238 932 D CA -0.481 53.551 54.000 0.053 0.000 0.759 932 D CB 1.156 42.080 40.800 0.206 0.000 1.349 932 D HN 0.296 nan 8.370 nan 0.000 0.426 933 K N 0.931 121.196 120.400 -0.225 0.000 2.057 933 K HA -0.049 4.271 4.320 0.001 0.000 0.206 933 K C 0.845 177.158 176.600 -0.478 0.000 1.050 933 K CA 1.441 57.408 56.287 -0.533 0.000 0.935 933 K CB 0.051 31.935 32.500 -1.027 0.000 0.715 933 K HN 0.581 nan 8.250 nan 0.000 0.439 934 W N 0.525 121.904 121.300 0.132 0.000 2.780 934 W HA 0.256 4.916 4.660 0.001 0.000 0.272 934 W C 0.422 176.939 176.519 -0.003 0.000 1.116 934 W CA -0.906 56.480 57.345 0.067 0.000 1.600 934 W CB 0.293 29.773 29.460 0.033 0.000 1.086 934 W HN -0.185 nan 8.180 nan 0.000 0.584 935 I N 2.400 123.070 120.570 0.165 0.000 2.353 935 I HA 0.159 4.329 4.170 0.001 0.000 0.293 935 I C 0.989 177.153 176.117 0.078 0.000 0.992 935 I CA -0.309 60.995 61.300 0.006 0.000 1.268 935 I CB 1.389 39.218 38.000 -0.286 0.000 1.387 935 I HN 0.128 nan 8.210 nan 0.000 0.478 936 K N 4.984 125.418 120.400 0.058 0.000 2.262 936 K HA 0.163 4.484 4.320 0.001 0.000 0.200 936 K C 0.432 177.072 176.600 0.068 0.000 1.058 936 K CA 0.580 56.910 56.287 0.071 0.000 0.974 936 K CB 0.929 33.465 32.500 0.060 0.000 0.910 936 K HN 0.589 nan 8.250 nan 0.000 0.484 937 K N 0.256 120.658 120.400 0.003 0.000 2.562 937 K HA 0.305 4.625 4.320 0.001 0.000 0.267 937 K C -2.033 174.437 176.600 -0.216 0.000 0.938 937 K CA -0.792 55.470 56.287 -0.042 0.000 0.840 937 K CB 2.422 34.913 32.500 -0.015 0.000 1.390 937 K HN -0.107 nan 8.250 nan 0.000 0.428 938 V N 3.740 123.429 119.914 -0.376 0.000 2.733 938 V HA 0.246 4.366 4.120 0.001 0.000 0.306 938 V C 0.004 175.900 176.094 -0.331 0.000 1.084 938 V CA -0.877 61.102 62.300 -0.536 0.000 0.905 938 V CB 1.713 32.774 31.823 -1.270 0.000 1.010 938 V HN 0.941 nan 8.190 nan 0.000 0.424 939 N N 2.378 120.955 118.700 -0.205 0.000 2.270 939 N HA 0.163 4.904 4.740 0.001 0.000 0.198 939 N C -0.070 175.379 175.510 -0.102 0.000 1.117 939 N CA -0.188 52.793 53.050 -0.115 0.000 0.845 939 N CB 0.646 39.092 38.487 -0.067 0.000 0.980 939 N HN 0.657 nan 8.380 nan 0.000 0.486 940 K N -0.172 120.143 120.400 -0.142 0.000 2.509 940 K HA 0.500 4.821 4.320 0.001 0.000 0.266 940 K C -2.995 173.504 176.600 -0.169 0.000 0.987 940 K CA -2.096 54.123 56.287 -0.112 0.000 0.868 940 K CB 2.225 34.684 32.500 -0.068 0.000 1.421 940 K HN -0.171 nan 8.250 nan 0.000 0.444 941 P HA 0.082 nan 4.420 nan 0.000 0.264 941 P C -1.507 175.631 177.300 -0.271 0.000 1.193 941 P CA 0.182 63.003 63.100 -0.464 0.000 0.763 941 P CB 0.775 32.080 31.700 -0.660 0.000 0.810 942 A N 3.594 126.308 122.820 -0.178 0.000 2.599 942 A HA 0.713 5.033 4.320 0.001 0.000 0.290 942 A C -1.450 176.276 177.584 0.238 0.000 1.101 942 A CA -0.582 51.517 52.037 0.104 0.000 0.674 942 A CB 1.001 19.940 19.000 -0.101 0.000 1.277 942 A HN 0.381 nan 8.150 nan 0.000 0.419 943 I N 1.014 121.678 120.570 0.157 0.000 2.406 943 I HA 0.541 4.711 4.170 0.001 0.000 0.290 943 I C -0.818 175.298 176.117 -0.002 0.000 0.999 943 I CA -0.900 60.459 61.300 0.098 0.000 1.124 943 I CB 1.782 39.793 38.000 0.019 0.000 1.289 943 I HN 0.330 nan 8.210 nan 0.000 0.441 944 V N 6.957 126.919 119.914 0.081 0.000 2.769 944 V HA 0.577 4.697 4.120 0.001 0.000 0.312 944 V C -0.131 176.038 176.094 0.125 0.000 1.061 944 V CA -0.571 61.714 62.300 -0.024 0.000 0.931 944 V CB 2.184 33.944 31.823 -0.105 0.000 1.010 944 V HN 0.662 nan 8.190 nan 0.000 0.433 945 M N 3.329 122.948 119.600 0.030 0.000 2.446 945 M HA 0.633 5.113 4.480 0.001 0.000 0.294 945 M C -0.705 175.622 176.300 0.044 0.000 1.158 945 M CA -0.420 54.934 55.300 0.089 0.000 0.899 945 M CB 2.810 35.402 32.600 -0.013 0.000 1.687 945 M HN 0.807 nan 8.290 nan 0.000 0.455 946 T N -2.210 112.390 114.554 0.077 0.000 2.906 946 T HA 0.561 4.912 4.350 0.001 0.000 0.295 946 T C -1.286 173.355 174.700 -0.099 0.000 1.061 946 T CA -0.709 61.347 62.100 -0.072 0.000 1.000 946 T CB 1.946 70.716 68.868 -0.162 0.000 1.103 946 T HN 0.851 nan 8.240 nan 0.000 0.486 947 H N 1.088 119.975 119.070 -0.305 0.000 3.108 947 H HA 0.477 5.033 4.556 0.001 0.000 0.329 947 H C -0.958 174.158 175.328 -0.353 0.000 0.978 947 H CA -0.863 55.012 56.048 -0.289 0.000 1.413 947 H CB 1.188 30.842 29.762 -0.179 0.000 1.670 947 H HN 0.519 nan 8.280 nan 0.000 0.512 948 R N 4.154 124.420 120.500 -0.390 0.000 2.248 948 R HA 0.158 4.498 4.340 0.001 0.000 0.337 948 R C -0.479 175.606 176.300 -0.359 0.000 1.106 948 R CA -0.121 55.709 56.100 -0.451 0.000 0.959 948 R CB 0.224 30.281 30.300 -0.405 0.000 1.075 948 R HN 0.644 nan 8.270 nan 0.000 0.480 949 Q N 2.532 122.078 119.800 -0.423 0.000 2.171 949 Q HA 0.107 4.448 4.340 0.001 0.000 0.217 949 Q C 0.714 176.639 176.000 -0.125 0.000 0.995 949 Q CA -0.646 54.961 55.803 -0.326 0.000 0.979 949 Q CB 0.897 29.431 28.738 -0.339 0.000 1.152 949 Q HN 0.477 nan 8.270 nan 0.000 0.525 950 K N 0.988 121.349 120.400 -0.066 0.000 2.005 950 K HA -0.281 4.039 4.320 0.001 0.000 0.229 950 K C 0.905 177.510 176.600 0.008 0.000 1.050 950 K CA 2.835 59.115 56.287 -0.011 0.000 0.994 950 K CB -0.177 32.322 32.500 -0.002 0.000 0.736 950 K HN 0.742 nan 8.250 nan 0.000 0.448 951 D N -1.588 118.813 120.400 0.003 0.000 2.398 951 D HA 0.044 4.685 4.640 0.001 0.000 0.210 951 D C -0.132 176.198 176.300 0.050 0.000 1.094 951 D CA 0.018 54.036 54.000 0.029 0.000 0.839 951 D CB 0.611 41.423 40.800 0.021 0.000 0.963 951 D HN 0.307 nan 8.370 nan 0.000 0.506 952 T N -1.930 112.628 114.554 0.006 0.000 2.916 952 T HA 0.579 4.930 4.350 0.001 0.000 0.292 952 T C -1.026 173.613 174.700 -0.102 0.000 1.064 952 T CA -1.127 60.973 62.100 -0.001 0.000 1.011 952 T CB 2.132 70.970 68.868 -0.050 0.000 1.152 952 T HN 0.029 nan 8.240 nan 0.000 0.510 953 L N 1.606 122.719 121.223 -0.183 0.000 2.319 953 L HA 0.673 5.013 4.340 0.001 0.000 0.281 953 L C -1.212 175.442 176.870 -0.360 0.000 1.005 953 L CA -0.949 53.620 54.840 -0.451 0.000 0.828 953 L CB 0.662 42.192 42.059 -0.880 0.000 1.227 953 L HN 0.735 nan 8.230 nan 0.000 0.415 954 I N 5.590 125.990 120.570 -0.282 0.000 2.353 954 I HA 0.473 4.644 4.170 0.001 0.000 0.293 954 I C -0.657 175.369 176.117 -0.151 0.000 0.992 954 I CA -0.627 60.577 61.300 -0.160 0.000 1.268 954 I CB 1.633 39.596 38.000 -0.061 0.000 1.387 954 I HN 0.271 nan 8.210 nan 0.000 0.478 955 V N 4.997 124.858 119.914 -0.088 0.000 2.588 955 V HA 0.483 4.603 4.120 0.001 0.000 0.304 955 V C -0.122 176.025 176.094 0.088 0.000 1.042 955 V CA -0.548 61.733 62.300 -0.031 0.000 0.877 955 V CB 1.862 33.684 31.823 -0.001 0.000 0.996 955 V HN 0.845 nan 8.190 nan 0.000 0.425 956 S N 3.380 119.075 115.700 -0.009 0.000 2.532 956 S HA 0.981 5.451 4.470 0.001 0.000 0.301 956 S C -0.474 173.900 174.600 -0.377 0.000 1.083 956 S CA -0.179 57.986 58.200 -0.058 0.000 1.025 956 S CB 2.234 65.417 63.200 -0.029 0.000 1.056 956 S HN 1.565 nan 8.310 nan 0.000 0.494 957 A N 1.163 123.579 122.820 -0.674 0.000 2.587 957 A HA 0.943 5.264 4.320 0.001 0.000 0.293 957 A C -1.010 176.319 177.584 -0.424 0.000 1.087 957 A CA -0.810 50.745 52.037 -0.803 0.000 0.692 957 A CB 1.627 19.620 19.000 -1.678 0.000 1.291 957 A HN 1.740 nan 8.150 nan 0.000 0.407 958 V N -0.524 119.239 119.914 -0.251 0.000 3.278 958 V HA 0.734 4.855 4.120 0.001 0.000 0.288 958 V C -0.803 175.269 176.094 -0.038 0.000 1.514 958 V CA 0.264 62.507 62.300 -0.096 0.000 1.051 958 V CB 2.344 34.130 31.823 -0.062 0.000 1.163 958 V HN 1.498 nan 8.190 nan 0.000 0.458 959 T N 4.061 118.624 114.554 0.015 0.000 2.797 959 T HA 0.572 4.922 4.350 0.001 0.000 0.279 959 T C -1.982 172.718 174.700 -0.000 0.000 0.991 959 T CA -1.668 60.481 62.100 0.081 0.000 0.979 959 T CB 1.914 70.864 68.868 0.137 0.000 0.943 959 T HN 0.645 nan 8.240 nan 0.000 0.444 960 P HA 0.052 nan 4.420 nan 0.000 0.237 960 P C 0.162 177.376 177.300 -0.143 0.000 1.178 960 P CA 0.122 63.121 63.100 -0.168 0.000 0.766 960 P CB 0.038 31.551 31.700 -0.312 0.000 0.876 961 D N 0.668 121.039 120.400 -0.049 0.000 2.382 961 D HA 0.010 4.651 4.640 0.001 0.000 0.259 961 D C 1.333 177.590 176.300 -0.071 0.000 1.224 961 D CA 0.082 54.073 54.000 -0.014 0.000 0.894 961 D CB 0.459 41.317 40.800 0.097 0.000 1.127 961 D HN 0.006 nan 8.370 nan 0.000 0.487 962 L N 3.439 124.576 121.223 -0.144 0.000 2.465 962 L HA -0.082 4.258 4.340 0.001 0.000 0.224 962 L C 0.919 177.720 176.870 -0.117 0.000 1.145 962 L CA 0.051 54.728 54.840 -0.273 0.000 0.834 962 L CB -0.606 41.177 42.059 -0.459 0.000 0.944 962 L HN 0.546 nan 8.230 nan 0.000 0.451 963 N N 1.210 119.894 118.700 -0.026 0.000 2.708 963 N HA -0.203 4.537 4.740 0.001 0.000 0.255 963 N C -0.419 175.123 175.510 0.052 0.000 1.046 963 N CA 0.962 54.032 53.050 0.033 0.000 0.715 963 N CB -0.576 37.946 38.487 0.058 0.000 0.895 963 N HN 0.560 nan 8.380 nan 0.000 0.545 964 M N -2.979 116.651 119.600 0.051 0.000 3.213 964 M HA 0.680 5.160 4.480 0.001 0.000 0.278 964 M C -0.241 176.111 176.300 0.086 0.000 1.332 964 M CA -0.513 54.833 55.300 0.076 0.000 0.810 964 M CB 1.795 34.443 32.600 0.080 0.000 1.676 964 M HN 0.116 nan 8.290 nan 0.000 0.463 965 T N -2.583 112.031 114.554 0.101 0.000 2.693 965 T HA 0.544 4.894 4.350 0.001 0.000 0.278 965 T C 0.472 175.258 174.700 0.143 0.000 0.994 965 T CA -0.856 61.312 62.100 0.113 0.000 1.033 965 T CB 1.806 70.730 68.868 0.093 0.000 1.342 965 T HN 0.792 nan 8.240 nan 0.000 0.538 966 R N -0.019 120.573 120.500 0.152 0.000 2.193 966 R HA -0.014 4.327 4.340 0.001 0.000 0.229 966 R C 2.429 178.816 176.300 0.144 0.000 1.110 966 R CA 1.634 57.840 56.100 0.177 0.000 0.988 966 R CB -0.153 30.246 30.300 0.165 0.000 0.871 966 R HN 0.631 nan 8.270 nan 0.000 0.458 967 Q N -0.641 119.226 119.800 0.112 0.000 2.387 967 Q HA 0.079 4.419 4.340 0.001 0.000 0.212 967 Q C 0.358 176.407 176.000 0.082 0.000 0.925 967 Q CA 0.289 56.146 55.803 0.089 0.000 0.901 967 Q CB 0.466 29.247 28.738 0.072 0.000 1.020 967 Q HN 0.005 nan 8.270 nan 0.000 0.545 968 K N 1.002 121.452 120.400 0.084 0.000 2.143 968 K HA 0.458 4.779 4.320 0.001 0.000 0.272 968 K C -0.884 175.768 176.600 0.086 0.000 1.001 968 K CA -0.342 55.992 56.287 0.077 0.000 0.915 968 K CB 1.146 33.690 32.500 0.074 0.000 1.047 968 K HN 0.045 nan 8.250 nan 0.000 0.458 969 A N 2.481 125.351 122.820 0.083 0.000 2.498 969 A HA 0.336 4.656 4.320 0.001 0.000 0.239 969 A C -0.089 177.579 177.584 0.140 0.000 1.068 969 A CA 0.066 52.165 52.037 0.104 0.000 0.766 969 A CB 0.139 19.195 19.000 0.094 0.000 1.003 969 A HN 0.845 nan 8.150 nan 0.000 0.497 970 A N 2.454 125.391 122.820 0.194 0.000 2.520 970 A HA 0.520 4.840 4.320 0.001 0.000 0.245 970 A C 0.859 178.633 177.584 0.316 0.000 1.072 970 A CA 0.652 52.826 52.037 0.228 0.000 0.761 970 A CB -0.465 18.700 19.000 0.275 0.000 1.004 970 A HN 1.592 nan 8.150 nan 0.000 0.499 971 T N 0.712 115.411 114.554 0.241 0.000 2.932 971 T HA 0.728 5.079 4.350 0.001 0.000 0.289 971 T C -3.062 171.796 174.700 0.264 0.000 1.039 971 T CA -2.186 60.058 62.100 0.240 0.000 1.024 971 T CB 1.508 70.453 68.868 0.128 0.000 1.090 971 T HN 0.351 nan 8.240 nan 0.000 0.496 972 P HA 0.363 nan 4.420 nan 0.000 0.271 972 P C -0.922 176.463 177.300 0.142 0.000 1.216 972 P CA -0.537 62.702 63.100 0.232 0.000 0.776 972 P CB 0.496 32.281 31.700 0.143 0.000 0.881 973 V N 3.427 123.419 119.914 0.131 0.000 2.398 973 V HA 0.228 4.348 4.120 0.001 0.000 0.286 973 V C 0.343 176.490 176.094 0.087 0.000 1.026 973 V CA -0.212 62.142 62.300 0.090 0.000 0.868 973 V CB 1.390 33.258 31.823 0.076 0.000 0.982 973 V HN 0.501 nan 8.190 nan 0.000 0.443 974 T N 7.018 121.612 114.554 0.067 0.000 2.749 974 T HA 0.562 4.913 4.350 0.001 0.000 0.295 974 T C -0.122 174.613 174.700 0.058 0.000 0.936 974 T CA 0.155 62.295 62.100 0.066 0.000 1.060 974 T CB 0.126 69.020 68.868 0.043 0.000 0.904 974 T HN 0.391 nan 8.240 nan 0.000 0.500 975 I N 4.093 124.716 120.570 0.089 0.000 2.389 975 I HA 0.309 4.479 4.170 0.001 0.000 0.288 975 I C 0.067 176.243 176.117 0.100 0.000 0.999 975 I CA -0.873 60.463 61.300 0.060 0.000 1.129 975 I CB 1.285 39.301 38.000 0.027 0.000 1.288 975 I HN 0.466 nan 8.210 nan 0.000 0.444 976 N N 6.344 125.062 118.700 0.030 0.000 2.414 976 N HA 0.306 5.046 4.740 0.001 0.000 0.256 976 N C -0.867 174.641 175.510 -0.003 0.000 1.029 976 N CA -0.251 52.819 53.050 0.033 0.000 0.948 976 N CB 2.476 40.965 38.487 0.004 0.000 1.102 976 N HN 0.217 nan 8.380 nan 0.000 0.496 977 V N 2.535 122.488 119.914 0.065 0.000 2.350 977 V HA 0.224 4.344 4.120 0.001 0.000 0.285 977 V C 0.320 176.425 176.094 0.019 0.000 1.014 977 V CA -0.598 61.701 62.300 -0.002 0.000 0.831 977 V CB 1.413 33.279 31.823 0.072 0.000 1.000 977 V HN 0.524 nan 8.190 nan 0.000 0.433 978 T N 7.025 121.568 114.554 -0.019 0.000 2.780 978 T HA 0.617 4.967 4.350 0.001 0.000 0.294 978 T C -0.030 174.687 174.700 0.027 0.000 0.949 978 T CA 0.008 62.120 62.100 0.019 0.000 1.074 978 T CB 0.599 69.477 68.868 0.016 0.000 0.910 978 T HN 0.654 nan 8.240 nan 0.000 0.501 979 I N 0.537 121.147 120.570 0.066 0.000 2.603 979 I HA 0.612 4.782 4.170 0.001 0.000 0.300 979 I C -0.308 175.924 176.117 0.192 0.000 1.017 979 I CA -1.239 60.116 61.300 0.091 0.000 1.098 979 I CB 1.527 39.528 38.000 0.002 0.000 1.279 979 I HN 0.247 nan 8.210 nan 0.000 0.437 980 N N 3.584 122.420 118.700 0.227 0.000 2.513 980 N HA 0.486 5.227 4.740 0.001 0.000 0.268 980 N C 0.340 176.097 175.510 0.412 0.000 1.180 980 N CA 1.065 54.258 53.050 0.239 0.000 0.948 980 N CB 1.272 39.851 38.487 0.153 0.000 1.083 980 N HN 1.130 nan 8.380 nan 0.000 0.455 981 G N 1.205 110.159 108.800 0.257 0.000 2.710 981 G HA2 -0.185 3.776 3.960 0.001 0.000 0.668 981 G HA3 -0.185 3.776 3.960 0.001 0.000 0.668 981 G C -1.091 173.857 174.900 0.080 0.000 1.320 981 G CA -0.790 44.390 45.100 0.134 0.000 0.860 981 G HN 0.526 nan 8.290 nan 0.000 0.538 982 K N -0.148 120.102 120.400 -0.250 0.000 2.265 982 K HA 0.529 4.849 4.320 0.001 0.000 0.267 982 K C -1.009 175.352 176.600 -0.399 0.000 0.994 982 K CA -0.285 55.901 56.287 -0.168 0.000 0.860 982 K CB 1.302 33.727 32.500 -0.124 0.000 1.099 982 K HN 0.436 nan 8.250 nan 0.000 0.448 983 W N 1.846 123.160 121.300 0.023 0.000 2.864 983 W HA 0.301 4.961 4.660 0.001 0.000 0.343 983 W C -0.242 176.227 176.519 -0.084 0.000 1.109 983 W CA -0.662 56.663 57.345 -0.034 0.000 1.192 983 W CB 1.431 30.858 29.460 -0.056 0.000 1.426 983 W HN 0.467 nan 8.180 nan 0.000 0.529 984 Q N -0.120 119.718 119.800 0.064 0.000 2.496 984 Q HA 0.697 5.038 4.340 0.001 0.000 0.286 984 Q C -0.595 175.203 176.000 -0.337 0.000 1.103 984 Q CA -1.143 54.584 55.803 -0.126 0.000 0.813 984 Q CB 1.926 30.679 28.738 0.026 0.000 1.444 984 Q HN 0.334 nan 8.270 nan 0.000 0.443 985 S N -0.051 115.356 115.700 -0.488 0.000 2.439 985 S HA 0.475 4.945 4.470 0.001 0.000 0.282 985 S C 0.274 174.810 174.600 -0.107 0.000 1.170 985 S CA -0.179 57.799 58.200 -0.369 0.000 1.054 985 S CB 0.711 63.739 63.200 -0.286 0.000 0.956 985 S HN 0.749 nan 8.310 nan 0.000 0.490 986 A N 4.193 126.963 122.820 -0.083 0.000 2.604 986 A HA 0.411 4.731 4.320 0.001 0.000 0.248 986 A C 0.603 178.176 177.584 -0.019 0.000 1.466 986 A CA 0.206 52.224 52.037 -0.032 0.000 1.222 986 A CB -1.154 17.832 19.000 -0.023 0.000 0.945 986 A HN 1.056 nan 8.150 nan 0.000 0.600 987 D N -2.912 117.483 120.400 -0.008 0.000 5.224 987 D HA 0.099 4.740 4.640 0.001 0.000 0.369 987 D C 0.084 176.401 176.300 0.027 0.000 1.833 987 D CA 0.061 54.066 54.000 0.008 0.000 1.037 987 D CB -0.265 40.537 40.800 0.004 0.000 1.515 987 D HN -0.061 nan 8.370 nan 0.000 0.686 988 K N -1.636 118.782 120.400 0.029 0.000 2.014 988 K HA 0.222 4.542 4.320 0.001 0.000 0.138 988 K C -1.261 175.357 176.600 0.029 0.000 2.057 988 K CA 0.019 56.330 56.287 0.040 0.000 1.047 988 K CB -0.333 32.189 32.500 0.036 0.000 2.102 988 K HN 0.248 nan 8.250 nan 0.000 0.436 989 N N 1.078 119.791 118.700 0.021 0.000 2.663 989 N HA 0.359 5.100 4.740 0.001 0.000 0.250 989 N C -1.518 174.002 175.510 0.018 0.000 1.129 989 N CA 0.055 53.116 53.050 0.018 0.000 0.995 989 N CB 1.408 39.904 38.487 0.016 0.000 1.324 989 N HN 0.178 nan 8.380 nan 0.000 0.512 990 S N 0.517 116.228 115.700 0.018 0.000 2.756 990 S HA 0.091 4.562 4.470 0.001 0.000 0.295 990 S C -0.723 173.882 174.600 0.009 0.000 0.945 990 S CA -0.712 57.497 58.200 0.015 0.000 0.838 990 S CB 0.346 63.550 63.200 0.007 0.000 1.042 990 S HN 0.435 nan 8.310 nan 0.000 0.467 991 E N 1.772 121.973 120.200 0.001 0.000 2.498 991 E HA 0.179 4.529 4.350 0.001 0.000 0.203 991 E C -0.025 176.545 176.600 -0.049 0.000 1.013 991 E CA 0.022 56.416 56.400 -0.010 0.000 0.927 991 E CB 0.871 30.575 29.700 0.007 0.000 1.012 991 E HN 0.456 nan 8.360 nan 0.000 0.482 992 V N 2.312 122.166 119.914 -0.099 0.000 2.637 992 V HA 0.041 4.162 4.120 0.001 0.000 0.296 992 V C 0.462 176.467 176.094 -0.149 0.000 1.046 992 V CA 0.158 62.305 62.300 -0.254 0.000 1.066 992 V CB 0.863 32.380 31.823 -0.510 0.000 0.968 992 V HN 0.046 nan 8.190 nan 0.000 0.483 993 K N 3.800 124.100 120.400 -0.166 0.000 2.118 993 K HA 0.563 4.884 4.320 0.001 0.000 0.267 993 K C -1.020 175.551 176.600 -0.048 0.000 0.991 993 K CA -0.451 55.771 56.287 -0.108 0.000 0.916 993 K CB 1.451 33.878 32.500 -0.122 0.000 1.041 993 K HN 0.752 nan 8.250 nan 0.000 0.455 994 Y N -0.853 119.385 120.300 -0.103 0.000 2.524 994 Y HA 0.501 5.051 4.550 0.001 0.000 0.347 994 Y C -1.585 174.300 175.900 -0.026 0.000 1.005 994 Y CA -1.218 56.841 58.100 -0.069 0.000 1.025 994 Y CB 1.619 40.047 38.460 -0.053 0.000 1.275 994 Y HN 0.405 nan 8.280 nan 0.000 0.460 995 Q N 2.325 122.166 119.800 0.069 0.000 2.275 995 Q HA 0.478 4.819 4.340 0.001 0.000 0.258 995 Q C -1.524 174.542 176.000 0.110 0.000 0.960 995 Q CA -0.812 54.999 55.803 0.014 0.000 0.801 995 Q CB 2.536 31.256 28.738 -0.029 0.000 1.302 995 Q HN 0.702 nan 8.270 nan 0.000 0.433 996 V N 1.835 121.832 119.914 0.137 0.000 2.540 996 V HA 0.249 4.370 4.120 0.001 0.000 0.297 996 V C 0.103 176.238 176.094 0.069 0.000 1.024 996 V CA 0.401 62.773 62.300 0.120 0.000 1.105 996 V CB 1.150 33.040 31.823 0.111 0.000 0.938 996 V HN 0.778 nan 8.190 nan 0.000 0.482 997 S N 3.889 119.630 115.700 0.067 0.000 2.652 997 S HA 0.624 5.094 4.470 0.001 0.000 0.252 997 S C 0.371 174.996 174.600 0.042 0.000 1.219 997 S CA 0.450 58.677 58.200 0.044 0.000 1.151 997 S CB 0.307 63.530 63.200 0.038 0.000 1.080 997 S HN 1.665 nan 8.310 nan 0.000 0.481 998 G N 4.632 113.451 108.800 0.032 0.000 2.536 998 G HA2 -0.273 3.688 3.960 0.001 0.000 0.280 998 G HA3 -0.273 3.688 3.960 0.001 0.000 0.280 998 G C 0.319 175.236 174.900 0.028 0.000 1.152 998 G CA 0.561 45.676 45.100 0.025 0.000 0.970 998 G HN 0.601 nan 8.290 nan 0.000 0.549 999 D N 2.027 122.445 120.400 0.029 0.000 2.347 999 D HA 0.082 4.722 4.640 0.001 0.000 0.213 999 D C 0.970 177.302 176.300 0.054 0.000 0.985 999 D CA 0.786 54.803 54.000 0.028 0.000 0.879 999 D CB -0.023 40.790 40.800 0.022 0.000 0.919 999 D HN 0.311 nan 8.370 nan 0.000 0.526 1000 N N -0.398 118.348 118.700 0.077 0.000 2.619 1000 N HA 0.336 5.076 4.740 0.001 0.000 0.294 1000 N C -0.579 175.020 175.510 0.148 0.000 1.279 1000 N CA -0.253 52.872 53.050 0.124 0.000 0.867 1000 N CB 1.501 40.050 38.487 0.103 0.000 1.329 1000 N HN -0.297 nan 8.380 nan 0.000 0.557 1001 T N 0.701 115.373 114.554 0.196 0.000 2.841 1001 T HA 0.306 4.656 4.350 0.001 0.000 0.285 1001 T C -0.845 173.937 174.700 0.137 0.000 0.991 1001 T CA -0.659 61.563 62.100 0.204 0.000 0.966 1001 T CB 1.463 70.526 68.868 0.324 0.000 0.962 1001 T HN 0.171 nan 8.240 nan 0.000 0.438 1002 E N 3.376 123.641 120.200 0.108 0.000 2.115 1002 E HA 0.352 4.702 4.350 0.001 0.000 0.282 1002 E C -0.425 176.210 176.600 0.059 0.000 0.987 1002 E CA -0.348 56.092 56.400 0.066 0.000 0.797 1002 E CB 1.411 31.135 29.700 0.040 0.000 1.086 1002 E HN 0.518 nan 8.360 nan 0.000 0.397 1003 L N 1.942 123.189 121.223 0.041 0.000 2.325 1003 L HA 0.422 4.762 4.340 0.001 0.000 0.279 1003 L C 0.348 177.189 176.870 -0.047 0.000 1.054 1003 L CA -0.516 54.300 54.840 -0.040 0.000 0.804 1003 L CB 1.338 43.360 42.059 -0.062 0.000 1.200 1003 L HN 0.251 nan 8.230 nan 0.000 0.436 1004 T N 2.572 117.028 114.554 -0.163 0.000 2.833 1004 T HA 0.508 4.859 4.350 0.001 0.000 0.297 1004 T C -0.597 173.993 174.700 -0.183 0.000 1.015 1004 T CA -0.282 61.769 62.100 -0.082 0.000 0.963 1004 T CB 0.290 69.123 68.868 -0.058 0.000 0.955 1004 T HN 0.097 nan 8.240 nan 0.000 0.449 1005 F N 1.697 121.641 119.950 -0.009 0.000 2.425 1005 F HA 0.485 5.012 4.527 0.001 0.000 0.331 1005 F C 1.070 176.877 175.800 0.011 0.000 1.085 1005 F CA -0.707 57.293 58.000 -0.001 0.000 1.028 1005 F CB 1.651 40.643 39.000 -0.014 0.000 1.177 1005 F HN 0.275 nan 8.300 nan 0.000 0.487 1006 T N 1.331 116.008 114.554 0.205 0.000 2.788 1006 T HA 0.205 4.555 4.350 0.001 0.000 0.296 1006 T C -0.379 174.431 174.700 0.183 0.000 1.009 1006 T CA -0.612 61.580 62.100 0.154 0.000 0.949 1006 T CB 1.014 69.941 68.868 0.098 0.000 0.946 1006 T HN 0.493 nan 8.240 nan 0.000 0.453 1007 S N 3.896 119.697 115.700 0.167 0.000 2.434 1007 S HA 0.402 4.872 4.470 0.001 0.000 0.318 1007 S C -0.977 173.746 174.600 0.205 0.000 1.062 1007 S CA -0.653 57.639 58.200 0.152 0.000 1.116 1007 S CB -0.157 63.097 63.200 0.090 0.000 0.977 1007 S HN 0.612 nan 8.310 nan 0.000 0.480 1008 Y N 5.318 125.676 120.300 0.096 0.000 2.331 1008 Y HA 0.464 5.015 4.550 0.001 0.000 0.338 1008 Y C -0.062 175.962 175.900 0.206 0.000 0.976 1008 Y CA -1.654 56.522 58.100 0.127 0.000 1.137 1008 Y CB 0.266 38.793 38.460 0.110 0.000 1.172 1008 Y HN 0.768 nan 8.280 nan 0.000 0.478 1009 F N 4.726 124.372 119.950 -0.506 0.000 3.090 1009 F HA -0.226 4.301 4.527 0.001 0.000 0.282 1009 F C 1.299 176.979 175.800 -0.201 0.000 0.923 1009 F CA 1.466 59.184 58.000 -0.469 0.000 0.977 1009 F CB -0.777 37.767 39.000 -0.760 0.000 0.954 1009 F HN 1.036 nan 8.300 nan 0.000 0.695 1010 G N 1.179 109.910 108.800 -0.116 0.000 2.225 1010 G HA2 -0.328 3.633 3.960 0.001 0.000 0.267 1010 G HA3 -0.328 3.633 3.960 0.001 0.000 0.267 1010 G C 0.246 175.133 174.900 -0.022 0.000 1.024 1010 G CA 0.124 45.174 45.100 -0.083 0.000 0.784 1010 G HN 0.646 nan 8.290 nan 0.000 0.507 1011 I N 1.504 122.093 120.570 0.032 0.000 2.301 1011 I HA 0.242 4.412 4.170 0.001 0.000 0.292 1011 I C -1.708 174.439 176.117 0.049 0.000 1.046 1011 I CA -2.261 59.068 61.300 0.047 0.000 1.282 1011 I CB 1.249 39.307 38.000 0.096 0.000 1.409 1011 I HN -0.106 nan 8.210 nan 0.000 0.484 1012 P HA 0.113 nan 4.420 nan 0.000 0.269 1012 P C -1.068 176.275 177.300 0.072 0.000 1.215 1012 P CA -0.184 62.927 63.100 0.019 0.000 0.780 1012 P CB 0.507 32.199 31.700 -0.013 0.000 0.898 1013 Q N 0.767 120.643 119.800 0.127 0.000 2.413 1013 Q HA 0.490 4.830 4.340 0.001 0.000 0.276 1013 Q C -0.444 175.722 176.000 0.276 0.000 1.099 1013 Q CA -0.811 55.116 55.803 0.207 0.000 0.814 1013 Q CB 2.742 31.670 28.738 0.317 0.000 1.379 1013 Q HN 0.506 nan 8.270 nan 0.000 0.436 1014 E N 1.391 121.720 120.200 0.215 0.000 2.433 1014 E HA 0.730 5.081 4.350 0.001 0.000 0.278 1014 E C -1.495 175.170 176.600 0.108 0.000 0.976 1014 E CA -0.857 55.671 56.400 0.213 0.000 0.793 1014 E CB 2.209 31.973 29.700 0.107 0.000 1.311 1014 E HN 0.556 nan 8.360 nan 0.000 0.460 1015 I N 0.794 121.402 120.570 0.063 0.000 2.656 1015 I HA 0.391 4.562 4.170 0.001 0.000 0.292 1015 I C -1.615 174.464 176.117 -0.064 0.000 1.144 1015 I CA -0.934 60.348 61.300 -0.030 0.000 1.038 1015 I CB 2.059 39.997 38.000 -0.104 0.000 1.244 1015 I HN 0.616 nan 8.210 nan 0.000 0.420 1016 K N 7.435 127.792 120.400 -0.073 0.000 2.262 1016 K HA 0.596 4.916 4.320 0.001 0.000 0.282 1016 K C -1.602 174.927 176.600 -0.118 0.000 1.066 1016 K CA -0.328 55.906 56.287 -0.089 0.000 0.901 1016 K CB 0.798 33.266 32.500 -0.053 0.000 1.089 1016 K HN 0.542 nan 8.250 nan 0.000 0.476 1017 L N 2.241 123.378 121.223 -0.142 0.000 2.334 1017 L HA 0.482 4.823 4.340 0.001 0.000 0.273 1017 L C -0.239 176.694 176.870 0.106 0.000 1.013 1017 L CA -0.875 53.909 54.840 -0.093 0.000 0.816 1017 L CB 2.167 44.094 42.059 -0.221 0.000 1.278 1017 L HN 0.581 nan 8.230 nan 0.000 0.431 1018 S N 1.301 117.121 115.700 0.199 0.000 2.566 1018 S HA 0.581 5.051 4.470 0.001 0.000 0.298 1018 S C -2.566 172.190 174.600 0.260 0.000 1.083 1018 S CA -1.238 57.108 58.200 0.244 0.000 0.978 1018 S CB 2.292 65.542 63.200 0.083 0.000 1.073 1018 S HN 0.296 nan 8.310 nan 0.000 0.491 1019 P HA 0.216 nan 4.420 nan 0.000 0.271 1019 P C -0.971 176.181 177.300 -0.246 0.000 1.218 1019 P CA -0.231 62.592 63.100 -0.462 0.000 0.780 1019 P CB 0.400 31.824 31.700 -0.459 0.000 0.901 1020 L N 4.837 125.884 121.223 -0.293 0.000 2.307 1020 L HA 0.388 4.729 4.340 0.001 0.000 0.282 1020 L C -1.316 175.457 176.870 -0.161 0.000 1.051 1020 L CA -1.875 52.872 54.840 -0.156 0.000 0.804 1020 L CB 0.915 42.916 42.059 -0.097 0.000 1.197 1020 L HN 0.376 nan 8.230 nan 0.000 0.431 1021 P HA 0.000 nan 4.420 nan 0.000 0.216 1021 P CA 0.000 63.050 63.100 -0.083 0.000 0.800 1021 P CB 0.000 31.669 31.700 -0.052 0.000 0.726