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 1br4_1_G DATA FIRST_RESID 2 DATA SEQUENCE AQKPLSDDEK FLFVDKNFVN NPLAQADWSA KKLVWVPSEK HGFEAASIKE DATA SEQUENCE EKGDEVTVEL QENGKKVTLS KDDIQKMNPP KFSKVEDMAE LTCLNEASVL DATA SEQUENCE HNLRERYFSG LIYTYSGLFC VVINPYKQLP IYSEKIIDMY KGKKRHEMPP DATA SEQUENCE HIYAIADTAY RSMLQDREDQ SILCTGESGA GKTENTKKVI QYLAVVASSX DATA SEQUENCE XXXXXXXXXX XPSFSYGELE KQLLQANPIL EAFGNAKTVK NDNSSRFGKF DATA SEQUENCE IRINFDVTGY IVGANIETYL LEKSRAIRQA KDERTFHIFY YLIAGASEQM DATA SEQUENCE RNDLLLEGFN NYTFLSNGHV PIPAQQDDEM FQETLEAMTI MGFTEEEQTS DATA SEQUENCE ILRVVSSVLQ LGNIVFKKER NTDQASMPDN TAAQKVCHLM GINVTDFTRS DATA SEQUENCE ILTPRIKVGR DVVQKAQTKE QADFAIEALA KAKFERLFRW ILTRVNKALD DATA SEQUENCE XXXXXXASFL GILDIAGFEI FEINSFEQLC INYTNEKLQQ LFNHTMFILE DATA SEQUENCE QEEYQREGIE WNFIDFGLDL QPCIELIERP TNPPGVLALL DEECWFPKAT DATA SEQUENCE DTSFVEKLIQ EQGNHAKFQK SKQLKDKTEF CILHYAGKVT YNASAWLTKN DATA SEQUENCE MDPLNDNVTS LLNQSSDKFV ADLWKDVDRI VGLXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXFRTVGQ LYKEQLTKLM TTLRNTNPNF VRCIIPNHEK RAGKLDAHLV DATA SEQUENCE LEQLRCNGVL EGIRICRQGF PNRIVFQEFR QRYEILAANA IPKGFMDGKQ DATA SEQUENCE ACILMIKALE LDPNLYRIGQ SKIFFRTGVL AHLEEERDLK ITDVIIAFQA DATA SEQUENCE QCRGYLARKA FAKRQQQLGS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.552 177.584 -0.054 0.000 1.274 2 A CA 0.000 52.012 52.037 -0.041 0.000 0.836 2 A CB 0.000 18.977 19.000 -0.038 0.000 0.831 3 Q N 0.257 120.015 119.800 -0.071 0.000 2.385 3 Q HA 0.470 4.811 4.340 0.001 0.000 0.262 3 Q C -0.211 175.727 176.000 -0.102 0.000 1.050 3 Q CA -0.648 55.102 55.803 -0.088 0.000 0.903 3 Q CB 0.788 29.462 28.738 -0.106 0.000 1.325 3 Q HN 0.378 nan 8.270 nan 0.000 0.485 4 K N 1.350 121.676 120.400 -0.123 0.000 2.443 4 K HA -0.034 4.287 4.320 0.001 0.000 0.268 4 K C -2.125 174.390 176.600 -0.142 0.000 0.971 4 K CA -0.118 56.089 56.287 -0.133 0.000 0.902 4 K CB -0.120 32.278 32.500 -0.170 0.000 0.950 4 K HN 0.323 nan 8.250 nan 0.000 0.525 5 P HA 0.304 nan 4.420 nan 0.000 0.301 5 P C -1.661 175.561 177.300 -0.131 0.000 1.337 5 P CA -0.649 62.385 63.100 -0.109 0.000 0.889 5 P CB 0.868 32.525 31.700 -0.071 0.000 1.050 6 L N 1.074 122.220 121.223 -0.128 0.000 2.376 6 L HA 0.570 4.911 4.340 0.001 0.000 0.275 6 L C 0.897 177.722 176.870 -0.074 0.000 0.987 6 L CA -0.794 53.973 54.840 -0.121 0.000 0.828 6 L CB 1.295 43.259 42.059 -0.158 0.000 1.249 6 L HN 0.375 nan 8.230 nan 0.000 0.409 7 S N -0.073 115.594 115.700 -0.054 0.000 2.586 7 S HA -0.077 4.394 4.470 0.001 0.000 0.256 7 S C 0.866 175.428 174.600 -0.063 0.000 1.392 7 S CA 0.543 58.718 58.200 -0.042 0.000 0.983 7 S CB 0.268 63.457 63.200 -0.018 0.000 0.897 7 S HN 0.819 nan 8.310 nan 0.000 0.566 8 D N 0.371 120.729 120.400 -0.070 0.000 2.228 8 D HA -0.129 4.511 4.640 0.001 0.000 0.203 8 D C 0.989 177.168 176.300 -0.203 0.000 0.988 8 D CA 1.633 55.550 54.000 -0.138 0.000 0.864 8 D CB -0.635 40.115 40.800 -0.084 0.000 0.928 8 D HN 0.607 nan 8.370 nan 0.000 0.469 9 D N 0.380 120.755 120.400 -0.042 0.000 2.137 9 D HA -0.057 4.584 4.640 0.001 0.000 0.202 9 D C 1.673 178.032 176.300 0.098 0.000 0.970 9 D CA 0.784 54.836 54.000 0.087 0.000 0.837 9 D CB -0.279 40.593 40.800 0.119 0.000 0.981 9 D HN 0.263 nan 8.370 nan 0.000 0.475 10 E N 0.257 120.497 120.200 0.067 0.000 2.418 10 E HA -0.010 4.341 4.350 0.001 0.000 0.197 10 E C 0.929 177.607 176.600 0.130 0.000 1.026 10 E CA 0.432 56.932 56.400 0.168 0.000 0.862 10 E CB 0.090 29.873 29.700 0.138 0.000 0.799 10 E HN 0.148 nan 8.360 nan 0.000 0.518 11 K N -0.291 120.068 120.400 -0.068 0.000 2.546 11 K HA 0.034 4.355 4.320 0.001 0.000 0.198 11 K C -0.091 176.360 176.600 -0.248 0.000 1.028 11 K CA 0.145 56.330 56.287 -0.171 0.000 1.150 11 K CB 0.282 32.607 32.500 -0.292 0.000 0.876 11 K HN 0.099 nan 8.250 nan 0.000 0.508 12 F N -1.146 118.832 119.950 0.046 0.000 2.831 12 F HA 0.211 4.738 4.527 0.001 0.000 0.334 12 F C 1.207 176.994 175.800 -0.022 0.000 1.071 12 F CA -0.173 57.833 58.000 0.011 0.000 1.172 12 F CB 0.426 39.422 39.000 -0.006 0.000 1.054 12 F HN -0.109 nan 8.300 nan 0.000 0.572 13 L N -2.037 119.265 121.223 0.132 0.000 2.453 13 L HA 0.212 4.553 4.340 0.001 0.000 0.190 13 L C 0.393 177.128 176.870 -0.226 0.000 1.093 13 L CA 0.367 55.145 54.840 -0.104 0.000 0.834 13 L CB -0.297 41.609 42.059 -0.255 0.000 1.090 13 L HN -0.217 nan 8.230 nan 0.000 0.489 14 F N -0.271 119.682 119.950 0.005 0.000 2.291 14 F HA 0.425 4.953 4.527 0.001 0.000 0.305 14 F C 0.436 176.213 175.800 -0.039 0.000 1.171 14 F CA -0.823 57.161 58.000 -0.027 0.000 1.090 14 F CB 0.370 39.337 39.000 -0.056 0.000 1.436 14 F HN -0.340 nan 8.300 nan 0.000 0.509 15 V N -1.618 118.394 119.914 0.164 0.000 3.166 15 V HA 0.443 4.564 4.120 0.001 0.000 0.317 15 V C -1.233 174.822 176.094 -0.066 0.000 1.136 15 V CA -1.017 61.300 62.300 0.028 0.000 1.035 15 V CB 1.722 33.547 31.823 0.004 0.000 1.110 15 V HN 0.433 nan 8.190 nan 0.000 0.450 16 D N 0.932 121.230 120.400 -0.169 0.000 2.467 16 D HA 0.350 4.991 4.640 0.001 0.000 0.220 16 D C 0.413 176.373 176.300 -0.566 0.000 1.103 16 D CA 0.005 53.776 54.000 -0.382 0.000 0.886 16 D CB 1.533 42.071 40.800 -0.436 0.000 1.025 16 D HN 0.574 nan 8.370 nan 0.000 0.514 17 K N 1.105 121.257 120.400 -0.414 0.000 2.287 17 K HA 0.115 4.436 4.320 0.001 0.000 0.199 17 K C 0.469 176.876 176.600 -0.323 0.000 1.061 17 K CA -0.114 55.979 56.287 -0.324 0.000 0.976 17 K CB 0.458 32.859 32.500 -0.164 0.000 0.898 17 K HN 0.202 nan 8.250 nan 0.000 0.492 18 N N 1.746 120.272 118.700 -0.290 0.000 2.484 18 N HA -0.059 4.682 4.740 0.001 0.000 0.295 18 N C -1.145 174.404 175.510 0.066 0.000 1.240 18 N CA 0.815 53.796 53.050 -0.115 0.000 1.085 18 N CB -0.032 38.406 38.487 -0.081 0.000 1.465 18 N HN -0.027 nan 8.380 nan 0.000 0.496 19 F N -0.577 119.356 119.950 -0.029 0.000 2.706 19 F HA 0.300 4.828 4.527 0.001 0.000 0.328 19 F C 0.357 176.140 175.800 -0.029 0.000 1.123 19 F CA -1.268 56.716 58.000 -0.026 0.000 0.978 19 F CB 0.362 39.350 39.000 -0.020 0.000 1.404 19 F HN -0.212 nan 8.300 nan 0.000 0.497 20 V N 3.104 123.104 119.914 0.144 0.000 2.637 20 V HA 0.143 4.264 4.120 0.001 0.000 0.296 20 V C 0.445 176.563 176.094 0.039 0.000 1.046 20 V CA -0.516 61.808 62.300 0.039 0.000 1.066 20 V CB 0.500 32.303 31.823 -0.033 0.000 0.968 20 V HN 0.674 nan 8.190 nan 0.000 0.483 21 N N 5.354 124.060 118.700 0.011 0.000 2.926 21 N HA -0.060 4.681 4.740 0.001 0.000 0.284 21 N C 0.300 175.794 175.510 -0.026 0.000 1.303 21 N CA 0.294 53.339 53.050 -0.009 0.000 1.062 21 N CB -0.957 37.515 38.487 -0.026 0.000 1.389 21 N HN 0.924 nan 8.380 nan 0.000 0.538 22 N N 1.256 119.946 118.700 -0.017 0.000 2.131 22 N HA -0.084 4.657 4.740 0.001 0.000 0.276 22 N C -1.637 173.846 175.510 -0.045 0.000 1.295 22 N CA -0.723 52.309 53.050 -0.031 0.000 0.818 22 N CB 0.675 39.148 38.487 -0.024 0.000 1.049 22 N HN 0.088 nan 8.380 nan 0.000 0.484 23 P HA 0.027 nan 4.420 nan 0.000 0.261 23 P C 0.970 178.233 177.300 -0.061 0.000 1.268 23 P CA -0.047 63.004 63.100 -0.082 0.000 0.833 23 P CB 0.350 32.001 31.700 -0.082 0.000 1.231 24 L N 0.456 121.658 121.223 -0.036 0.000 1.973 24 L HA -0.060 4.281 4.340 0.001 0.000 0.208 24 L C 2.443 179.312 176.870 -0.000 0.000 1.073 24 L CA 2.330 57.160 54.840 -0.016 0.000 0.746 24 L CB -1.776 40.275 42.059 -0.014 0.000 0.891 24 L HN -0.002 nan 8.230 nan 0.000 0.433 25 A N -1.347 121.477 122.820 0.006 0.000 1.972 25 A HA -0.216 4.104 4.320 0.001 0.000 0.219 25 A C 2.149 179.755 177.584 0.037 0.000 1.169 25 A CA 1.235 53.291 52.037 0.032 0.000 0.635 25 A CB -0.343 18.683 19.000 0.043 0.000 0.810 25 A HN 0.448 nan 8.150 nan 0.000 0.446 26 Q N -0.736 119.050 119.800 -0.023 0.000 2.187 26 Q HA 0.080 4.421 4.340 0.001 0.000 0.199 26 Q C 2.351 178.254 176.000 -0.163 0.000 0.957 26 Q CA 1.298 57.037 55.803 -0.106 0.000 0.857 26 Q CB -0.500 28.111 28.738 -0.212 0.000 0.929 26 Q HN 0.605 nan 8.270 nan 0.000 0.453 27 A N 1.143 123.913 122.820 -0.083 0.000 1.845 27 A HA -0.192 4.129 4.320 0.001 0.000 0.215 27 A C 1.906 179.618 177.584 0.214 0.000 1.195 27 A CA 1.803 53.838 52.037 -0.003 0.000 0.616 27 A CB -0.828 18.176 19.000 0.006 0.000 0.832 27 A HN 0.331 nan 8.150 nan 0.000 0.443 28 D N -0.400 120.090 120.400 0.149 0.000 2.322 28 D HA -0.213 4.428 4.640 0.001 0.000 0.210 28 D C 1.699 178.145 176.300 0.243 0.000 0.983 28 D CA 1.474 55.566 54.000 0.154 0.000 0.902 28 D CB -0.350 40.500 40.800 0.083 0.000 0.905 28 D HN 0.770 nan 8.370 nan 0.000 0.483 29 W N 1.228 122.526 121.300 -0.003 0.000 2.321 29 W HA -0.190 4.471 4.660 0.001 0.000 0.285 29 W C 1.660 178.177 176.519 -0.003 0.000 1.213 29 W CA 1.132 58.478 57.345 0.001 0.000 1.205 29 W CB -1.508 27.959 29.460 0.010 0.000 1.134 29 W HN -0.095 nan 8.180 nan 0.000 0.549 30 S N 1.729 117.474 115.700 0.074 0.000 2.359 30 S HA -0.041 4.430 4.470 0.001 0.000 0.224 30 S C 1.840 176.355 174.600 -0.141 0.000 1.035 30 S CA 1.884 59.965 58.200 -0.198 0.000 1.018 30 S CB -0.982 62.248 63.200 0.049 0.000 0.876 30 S HN 0.396 nan 8.310 nan 0.000 0.448 31 A N 2.267 125.063 122.820 -0.039 0.000 2.711 31 A HA 0.092 4.413 4.320 0.001 0.000 0.242 31 A C 1.374 178.917 177.584 -0.068 0.000 1.607 31 A CA -0.179 51.828 52.037 -0.049 0.000 1.370 31 A CB -0.530 18.456 19.000 -0.023 0.000 0.934 31 A HN 0.452 nan 8.150 nan 0.000 0.628 32 K N 0.368 120.703 120.400 -0.109 0.000 2.520 32 K HA -0.152 4.168 4.320 0.001 0.000 0.197 32 K C 0.363 176.912 176.600 -0.084 0.000 1.044 32 K CA 0.735 56.961 56.287 -0.101 0.000 0.938 32 K CB -0.167 32.242 32.500 -0.152 0.000 0.767 32 K HN 0.322 nan 8.250 nan 0.000 0.481 33 K N 1.193 121.545 120.400 -0.080 0.000 2.589 33 K HA 0.078 4.398 4.320 0.001 0.000 0.192 33 K C 0.740 177.292 176.600 -0.081 0.000 1.029 33 K CA 0.114 56.359 56.287 -0.070 0.000 1.031 33 K CB -0.289 32.175 32.500 -0.059 0.000 0.821 33 K HN 0.257 nan 8.250 nan 0.000 0.502 34 L N 2.053 123.215 121.223 -0.101 0.000 2.315 34 L HA 0.084 4.425 4.340 0.001 0.000 0.283 34 L C 0.248 176.992 176.870 -0.210 0.000 1.089 34 L CA -0.386 54.362 54.840 -0.153 0.000 0.833 34 L CB 0.651 42.615 42.059 -0.158 0.000 1.170 34 L HN -0.122 nan 8.230 nan 0.000 0.442 35 V N 1.215 120.988 119.914 -0.236 0.000 3.271 35 V HA 0.601 4.722 4.120 0.001 0.000 0.305 35 V C -0.945 174.910 176.094 -0.397 0.000 1.303 35 V CA -1.042 61.110 62.300 -0.247 0.000 1.038 35 V CB 1.431 33.222 31.823 -0.054 0.000 1.197 35 V HN 0.702 nan 8.190 nan 0.000 0.478 36 W N -0.768 120.516 121.300 -0.027 0.000 2.671 36 W HA 0.857 5.518 4.660 0.001 0.000 0.360 36 W C -0.550 176.013 176.519 0.073 0.000 1.128 36 W CA -0.076 57.267 57.345 -0.003 0.000 1.184 36 W CB 1.901 31.302 29.460 -0.099 0.000 1.415 36 W HN 0.775 nan 8.180 nan 0.000 0.604 37 V N -2.126 118.071 119.914 0.472 0.000 3.278 37 V HA 0.454 4.575 4.120 0.001 0.000 0.288 37 V C -2.621 173.689 176.094 0.359 0.000 1.514 37 V CA -2.596 59.910 62.300 0.343 0.000 1.051 37 V CB 0.892 32.822 31.823 0.177 0.000 1.163 37 V HN 0.363 nan 8.190 nan 0.000 0.458 38 P HA 0.227 nan 4.420 nan 0.000 0.274 38 P C -0.088 177.237 177.300 0.041 0.000 1.248 38 P CA 0.725 63.858 63.100 0.056 0.000 0.827 38 P CB 0.421 32.152 31.700 0.051 0.000 0.972 39 S N -2.171 113.529 115.700 0.001 0.000 2.678 39 S HA 0.117 4.587 4.470 0.001 0.000 0.290 39 S C 0.073 174.730 174.600 0.095 0.000 1.047 39 S CA -0.541 57.688 58.200 0.049 0.000 0.851 39 S CB 0.562 63.810 63.200 0.081 0.000 1.058 39 S HN 0.445 nan 8.310 nan 0.000 0.451 40 E N 0.840 121.105 120.200 0.109 0.000 2.307 40 E HA 0.257 4.608 4.350 0.001 0.000 0.195 40 E C 1.180 177.892 176.600 0.187 0.000 0.975 40 E CA -0.009 56.469 56.400 0.129 0.000 0.878 40 E CB 0.214 29.954 29.700 0.066 0.000 0.845 40 E HN 0.419 nan 8.360 nan 0.000 0.488 41 K N -0.741 119.768 120.400 0.183 0.000 2.365 41 K HA 0.077 4.398 4.320 0.001 0.000 0.195 41 K C 0.982 177.713 176.600 0.218 0.000 1.079 41 K CA 0.517 56.927 56.287 0.205 0.000 0.979 41 K CB 0.494 33.126 32.500 0.220 0.000 0.929 41 K HN 0.086 nan 8.250 nan 0.000 0.523 42 H N -1.124 117.969 119.070 0.038 0.000 2.729 42 H HA 0.158 4.715 4.556 0.001 0.000 0.263 42 H C 1.271 176.549 175.328 -0.083 0.000 0.961 42 H CA 0.890 56.954 56.048 0.027 0.000 1.217 42 H CB 1.079 30.891 29.762 0.082 0.000 1.447 42 H HN 0.390 nan 8.280 nan 0.000 0.496 43 G N -0.072 108.669 108.800 -0.099 0.000 2.990 43 G HA2 -0.308 3.653 3.960 0.001 0.000 0.225 43 G HA3 -0.308 3.653 3.960 0.001 0.000 0.225 43 G C 0.181 174.722 174.900 -0.598 0.000 1.304 43 G CA 0.753 45.538 45.100 -0.524 0.000 0.816 43 G HN 0.253 nan 8.290 nan 0.000 0.528 44 F N 1.316 121.324 119.950 0.097 0.000 2.650 44 F HA 0.708 5.236 4.527 0.001 0.000 0.320 44 F C 0.000 175.987 175.800 0.311 0.000 1.091 44 F CA -0.287 57.820 58.000 0.178 0.000 0.962 44 F CB 2.189 41.224 39.000 0.058 0.000 1.363 44 F HN 0.602 nan 8.300 nan 0.000 0.482 45 E N 0.138 120.743 120.200 0.675 0.000 2.393 45 E HA 0.650 5.001 4.350 0.001 0.000 0.282 45 E C -1.963 174.747 176.600 0.182 0.000 1.096 45 E CA -1.295 55.353 56.400 0.415 0.000 0.866 45 E CB 1.073 30.881 29.700 0.181 0.000 1.232 45 E HN 0.717 nan 8.360 nan 0.000 0.431 46 A N 1.267 123.962 122.820 -0.207 0.000 2.351 46 A HA 0.837 5.158 4.320 0.001 0.000 0.257 46 A C -0.093 177.360 177.584 -0.217 0.000 1.087 46 A CA 0.352 52.095 52.037 -0.489 0.000 0.798 46 A CB 0.698 19.340 19.000 -0.596 0.000 1.033 46 A HN 1.232 nan 8.150 nan 0.000 0.488 47 A N 0.516 123.209 122.820 -0.211 0.000 2.594 47 A HA 0.627 4.947 4.320 0.001 0.000 0.296 47 A C -0.505 177.014 177.584 -0.108 0.000 1.056 47 A CA -0.082 51.888 52.037 -0.111 0.000 0.693 47 A CB 0.726 19.697 19.000 -0.048 0.000 1.278 47 A HN 1.277 nan 8.150 nan 0.000 0.408 48 S N 0.648 116.302 115.700 -0.077 0.000 2.472 48 S HA 0.631 5.101 4.470 0.001 0.000 0.303 48 S C -0.161 174.413 174.600 -0.044 0.000 1.099 48 S CA -0.450 57.709 58.200 -0.067 0.000 1.077 48 S CB 0.380 63.543 63.200 -0.062 0.000 1.031 48 S HN 0.542 nan 8.310 nan 0.000 0.487 49 I N 5.153 125.699 120.570 -0.040 0.000 2.664 49 I HA 0.042 4.213 4.170 0.001 0.000 0.284 49 I C 1.294 177.396 176.117 -0.026 0.000 1.154 49 I CA 0.201 61.485 61.300 -0.028 0.000 1.402 49 I CB 0.542 38.526 38.000 -0.026 0.000 1.395 49 I HN 0.597 nan 8.210 nan 0.000 0.545 50 K N 5.240 125.628 120.400 -0.020 0.000 2.308 50 K HA 0.201 4.522 4.320 0.001 0.000 0.197 50 K C 0.324 176.915 176.600 -0.015 0.000 1.049 50 K CA 0.525 56.801 56.287 -0.018 0.000 0.991 50 K CB 0.530 33.021 32.500 -0.015 0.000 0.836 50 K HN 0.588 nan 8.250 nan 0.000 0.500 51 E N 1.164 121.357 120.200 -0.013 0.000 2.522 51 E HA 0.072 4.422 4.350 0.001 0.000 0.315 51 E C -1.456 175.138 176.600 -0.009 0.000 0.917 51 E CA -0.002 56.391 56.400 -0.011 0.000 0.796 51 E CB 1.406 31.100 29.700 -0.009 0.000 1.323 51 E HN -0.023 nan 8.360 nan 0.000 0.397 52 E N 4.047 124.241 120.200 -0.010 0.000 1.996 52 E HA 0.116 4.467 4.350 0.001 0.000 0.280 52 E C -0.069 176.527 176.600 -0.006 0.000 1.092 52 E CA -0.258 56.138 56.400 -0.008 0.000 0.862 52 E CB 0.809 30.503 29.700 -0.010 0.000 1.066 52 E HN 0.220 nan 8.360 nan 0.000 0.396 53 K N 2.271 122.669 120.400 -0.004 0.000 2.745 53 K HA 0.096 4.417 4.320 0.001 0.000 0.223 53 K C 0.795 177.393 176.600 -0.002 0.000 1.057 53 K CA 0.195 56.481 56.287 -0.003 0.000 1.217 53 K CB 0.371 32.870 32.500 -0.002 0.000 0.993 53 K HN 0.793 nan 8.250 nan 0.000 0.478 54 G N 1.828 110.627 108.800 -0.003 0.000 2.603 54 G HA2 -0.318 3.643 3.960 0.001 0.000 0.245 54 G HA3 -0.318 3.643 3.960 0.001 0.000 0.245 54 G C 0.492 175.392 174.900 -0.001 0.000 1.195 54 G CA 0.109 45.207 45.100 -0.003 0.000 0.953 54 G HN 0.370 nan 8.290 nan 0.000 0.566 55 D N 1.825 122.226 120.400 0.000 0.000 2.384 55 D HA 0.035 4.675 4.640 0.001 0.000 0.222 55 D C 0.368 176.672 176.300 0.006 0.000 0.976 55 D CA 1.387 55.388 54.000 0.003 0.000 0.915 55 D CB 0.148 40.949 40.800 0.002 0.000 0.896 55 D HN 0.417 nan 8.370 nan 0.000 0.523 56 E N -0.532 119.671 120.200 0.005 0.000 2.256 56 E HA 0.382 4.732 4.350 0.001 0.000 0.268 56 E C -1.166 175.438 176.600 0.005 0.000 0.877 56 E CA -0.656 55.748 56.400 0.007 0.000 0.757 56 E CB 2.829 32.533 29.700 0.007 0.000 1.183 56 E HN -0.208 nan 8.360 nan 0.000 0.418 57 V N 1.900 121.819 119.914 0.007 0.000 2.555 57 V HA 0.491 4.611 4.120 0.001 0.000 0.302 57 V C -0.008 176.089 176.094 0.004 0.000 1.038 57 V CA -0.965 61.337 62.300 0.004 0.000 0.887 57 V CB 1.975 33.800 31.823 0.003 0.000 0.991 57 V HN 0.825 nan 8.190 nan 0.000 0.434 58 T N 3.147 117.701 114.554 -0.000 0.000 2.794 58 T HA 0.671 5.022 4.350 0.001 0.000 0.296 58 T C -0.524 174.174 174.700 -0.003 0.000 0.949 58 T CA -0.284 61.815 62.100 -0.001 0.000 1.101 58 T CB 0.788 69.654 68.868 -0.003 0.000 0.905 58 T HN 0.623 nan 8.240 nan 0.000 0.516 59 V N 1.887 121.800 119.914 -0.002 0.000 3.130 59 V HA 0.722 4.842 4.120 0.001 0.000 0.310 59 V C -0.569 175.520 176.094 -0.008 0.000 1.158 59 V CA -1.153 61.144 62.300 -0.006 0.000 1.029 59 V CB 2.024 33.846 31.823 -0.002 0.000 1.057 59 V HN 0.993 nan 8.190 nan 0.000 0.436 60 E N 2.133 122.324 120.200 -0.016 0.000 2.283 60 E HA 0.435 4.785 4.350 0.001 0.000 0.258 60 E C -1.127 175.457 176.600 -0.027 0.000 0.893 60 E CA -0.822 55.567 56.400 -0.017 0.000 0.798 60 E CB 1.855 31.544 29.700 -0.018 0.000 1.242 60 E HN 0.829 nan 8.360 nan 0.000 0.414 61 L N 2.405 123.614 121.223 -0.023 0.000 2.540 61 L HA 0.074 4.415 4.340 0.001 0.000 0.276 61 L C 0.994 177.838 176.870 -0.043 0.000 1.212 61 L CA 0.142 54.962 54.840 -0.035 0.000 0.893 61 L CB 0.047 42.090 42.059 -0.026 0.000 1.138 61 L HN 0.535 nan 8.230 nan 0.000 0.491 62 Q N 0.708 120.472 119.800 -0.060 0.000 2.283 62 Q HA -0.023 4.317 4.340 0.001 0.000 0.223 62 Q C 0.568 176.541 176.000 -0.046 0.000 0.918 62 Q CA 0.589 56.359 55.803 -0.054 0.000 0.952 62 Q CB 0.134 28.830 28.738 -0.071 0.000 1.030 62 Q HN 0.908 nan 8.270 nan 0.000 0.452 63 E N 0.733 120.906 120.200 -0.044 0.000 2.756 63 E HA 0.084 4.435 4.350 0.001 0.000 0.192 63 E C 0.725 177.303 176.600 -0.037 0.000 1.022 63 E CA 0.620 56.993 56.400 -0.044 0.000 1.224 63 E CB -0.072 29.587 29.700 -0.068 0.000 1.252 63 E HN 0.375 nan 8.360 nan 0.000 0.494 64 N N 0.149 118.826 118.700 -0.038 0.000 2.251 64 N HA 0.128 4.869 4.740 0.001 0.000 0.217 64 N C 0.259 175.756 175.510 -0.022 0.000 1.124 64 N CA 0.604 53.637 53.050 -0.028 0.000 0.843 64 N CB 0.855 39.324 38.487 -0.030 0.000 1.024 64 N HN 0.390 nan 8.380 nan 0.000 0.501 65 G N 1.430 110.217 108.800 -0.023 0.000 2.219 65 G HA2 -0.302 3.659 3.960 0.001 0.000 0.271 65 G HA3 -0.302 3.659 3.960 0.001 0.000 0.271 65 G C 0.406 175.296 174.900 -0.016 0.000 0.991 65 G CA 0.503 45.592 45.100 -0.019 0.000 0.685 65 G HN 0.200 nan 8.290 nan 0.000 0.531 66 K N 0.353 120.742 120.400 -0.017 0.000 2.451 66 K HA 0.182 4.503 4.320 0.001 0.000 0.280 66 K C 0.501 177.094 176.600 -0.011 0.000 1.020 66 K CA -0.037 56.242 56.287 -0.013 0.000 1.008 66 K CB 0.667 33.159 32.500 -0.013 0.000 0.917 66 K HN 0.195 nan 8.250 nan 0.000 0.478 67 K N 3.076 123.472 120.400 -0.007 0.000 2.180 67 K HA 0.147 4.467 4.320 0.001 0.000 0.250 67 K C -0.913 175.687 176.600 -0.001 0.000 1.135 67 K CA -0.220 56.064 56.287 -0.006 0.000 1.037 67 K CB 0.315 32.811 32.500 -0.005 0.000 1.624 67 K HN 0.165 nan 8.250 nan 0.000 0.382 68 V N 3.376 123.291 119.914 0.001 0.000 2.334 68 V HA 0.172 4.292 4.120 0.001 0.000 0.267 68 V C 0.188 176.289 176.094 0.011 0.000 1.040 68 V CA -0.525 61.779 62.300 0.008 0.000 0.866 68 V CB 1.187 33.018 31.823 0.013 0.000 1.019 68 V HN 0.593 nan 8.190 nan 0.000 0.468 69 T N 6.765 121.325 114.554 0.010 0.000 2.922 69 T HA 0.803 5.154 4.350 0.001 0.000 0.285 69 T C -0.240 174.471 174.700 0.017 0.000 1.005 69 T CA -0.084 62.023 62.100 0.011 0.000 1.061 69 T CB 1.075 69.947 68.868 0.007 0.000 1.007 69 T HN 0.384 nan 8.240 nan 0.000 0.502 70 L N 0.047 121.283 121.223 0.020 0.000 2.654 70 L HA 0.487 4.828 4.340 0.001 0.000 0.257 70 L C 0.167 177.051 176.870 0.023 0.000 1.093 70 L CA -1.106 53.750 54.840 0.026 0.000 0.903 70 L CB 1.722 43.804 42.059 0.039 0.000 1.520 70 L HN 0.501 nan 8.230 nan 0.000 0.402 71 S N -0.199 115.516 115.700 0.025 0.000 2.580 71 S HA 0.024 4.495 4.470 0.001 0.000 0.266 71 S C 0.651 175.266 174.600 0.024 0.000 1.354 71 S CA -0.044 58.169 58.200 0.022 0.000 1.008 71 S CB 0.470 63.683 63.200 0.022 0.000 0.898 71 S HN 0.582 nan 8.310 nan 0.000 0.555 72 K N 0.976 121.386 120.400 0.017 0.000 2.591 72 K HA -0.006 4.315 4.320 0.001 0.000 0.197 72 K C -0.389 176.224 176.600 0.020 0.000 1.026 72 K CA 0.787 57.083 56.287 0.016 0.000 1.127 72 K CB -0.571 31.934 32.500 0.008 0.000 0.871 72 K HN 0.703 nan 8.250 nan 0.000 0.507 73 D N -3.077 117.339 120.400 0.027 0.000 2.712 73 D HA 0.070 4.711 4.640 0.001 0.000 0.300 73 D C -0.222 176.107 176.300 0.048 0.000 1.521 73 D CA -0.421 53.598 54.000 0.032 0.000 0.790 73 D CB 0.727 41.540 40.800 0.022 0.000 1.155 73 D HN -0.017 nan 8.370 nan 0.000 0.456 74 D N 0.153 120.589 120.400 0.060 0.000 2.498 74 D HA 0.207 4.848 4.640 0.001 0.000 0.223 74 D C 0.994 177.366 176.300 0.120 0.000 1.125 74 D CA -0.214 53.838 54.000 0.085 0.000 0.835 74 D CB 1.058 41.900 40.800 0.070 0.000 1.086 74 D HN 0.483 nan 8.370 nan 0.000 0.510 75 I N -1.821 118.809 120.570 0.100 0.000 3.468 75 I HA 0.462 4.633 4.170 0.001 0.000 0.276 75 I C -0.441 175.757 176.117 0.136 0.000 1.182 75 I CA -0.542 60.830 61.300 0.120 0.000 0.881 75 I CB 0.686 38.731 38.000 0.074 0.000 1.609 75 I HN -0.298 nan 8.210 nan 0.000 0.780 76 Q N 0.452 120.350 119.800 0.163 0.000 2.430 76 Q HA 0.282 4.623 4.340 0.001 0.000 0.253 76 Q C -1.710 174.443 176.000 0.255 0.000 0.945 76 Q CA -0.848 55.051 55.803 0.160 0.000 0.964 76 Q CB 1.887 30.682 28.738 0.095 0.000 1.460 76 Q HN 0.590 nan 8.270 nan 0.000 0.428 77 K N 2.458 122.949 120.400 0.152 0.000 2.437 77 K HA 0.050 4.371 4.320 0.001 0.000 0.277 77 K C -0.171 176.603 176.600 0.291 0.000 1.073 77 K CA 0.623 56.995 56.287 0.143 0.000 1.105 77 K CB 0.218 32.752 32.500 0.057 0.000 0.881 77 K HN 0.449 nan 8.250 nan 0.000 0.475 78 M N 2.736 122.472 119.600 0.227 0.000 2.274 78 M HA 0.112 4.593 4.480 0.001 0.000 0.344 78 M C -0.173 176.250 176.300 0.206 0.000 1.161 78 M CA -0.221 55.264 55.300 0.310 0.000 1.126 78 M CB 0.812 33.303 32.600 -0.181 0.000 1.522 78 M HN 0.539 nan 8.290 nan 0.000 0.461 79 N N 3.487 122.342 118.700 0.257 0.000 2.498 79 N HA 0.469 5.210 4.740 0.001 0.000 0.287 79 N C -2.528 173.132 175.510 0.250 0.000 1.097 79 N CA -1.362 51.775 53.050 0.144 0.000 0.973 79 N CB 0.988 39.473 38.487 -0.003 0.000 1.153 79 N HN 0.364 nan 8.380 nan 0.000 0.472 80 P HA 0.024 nan 4.420 nan 0.000 0.266 80 P C -1.900 175.619 177.300 0.365 0.000 1.186 80 P CA -0.633 62.676 63.100 0.349 0.000 0.767 80 P CB 0.125 32.065 31.700 0.400 0.000 0.820 81 P HA -0.104 nan 4.420 nan 0.000 0.239 81 P C 0.921 178.309 177.300 0.146 0.000 1.184 81 P CA 0.965 64.185 63.100 0.200 0.000 0.760 81 P CB 0.072 31.859 31.700 0.144 0.000 0.884 82 K N -0.354 120.106 120.400 0.101 0.000 2.525 82 K HA -0.012 4.309 4.320 0.001 0.000 0.192 82 K C 0.455 176.872 176.600 -0.305 0.000 1.029 82 K CA 0.564 56.776 56.287 -0.126 0.000 1.029 82 K CB -0.237 32.115 32.500 -0.246 0.000 0.814 82 K HN 0.090 nan 8.250 nan 0.000 0.503 83 F N 0.096 120.099 119.950 0.089 0.000 2.728 83 F HA 0.242 4.769 4.527 0.001 0.000 0.314 83 F C 0.744 176.599 175.800 0.092 0.000 1.094 83 F CA -0.517 57.534 58.000 0.085 0.000 1.217 83 F CB 0.485 39.542 39.000 0.096 0.000 1.056 83 F HN -0.225 nan 8.300 nan 0.000 0.577 84 S N 2.080 117.936 115.700 0.259 0.000 2.885 84 S HA -0.045 4.426 4.470 0.001 0.000 0.334 84 S C 0.395 175.075 174.600 0.133 0.000 1.224 84 S CA 0.318 58.638 58.200 0.200 0.000 1.080 84 S CB -0.643 62.657 63.200 0.168 0.000 0.801 84 S HN 0.422 nan 8.310 nan 0.000 0.510 85 K N 0.454 120.922 120.400 0.113 0.000 3.619 85 K HA -0.149 4.172 4.320 0.001 0.000 0.275 85 K C -0.437 176.213 176.600 0.083 0.000 0.993 85 K CA 0.175 56.508 56.287 0.076 0.000 0.787 85 K CB -1.854 30.680 32.500 0.057 0.000 1.431 85 K HN 0.371 nan 8.250 nan 0.000 0.451 86 V N 1.242 121.226 119.914 0.117 0.000 2.732 86 V HA 0.044 4.165 4.120 0.001 0.000 0.297 86 V C 1.611 177.745 176.094 0.066 0.000 1.060 86 V CA -0.105 62.267 62.300 0.120 0.000 1.038 86 V CB 1.374 33.329 31.823 0.220 0.000 1.003 86 V HN 0.456 nan 8.190 nan 0.000 0.481 87 E N 2.791 123.009 120.200 0.029 0.000 2.015 87 E HA -0.087 4.263 4.350 0.001 0.000 0.191 87 E C 0.448 177.031 176.600 -0.029 0.000 0.991 87 E CA 1.185 57.556 56.400 -0.049 0.000 0.802 87 E CB -0.054 29.580 29.700 -0.111 0.000 0.759 87 E HN 0.803 nan 8.360 nan 0.000 0.447 88 D N 0.055 120.473 120.400 0.030 0.000 2.473 88 D HA 0.127 4.768 4.640 0.001 0.000 0.226 88 D C 0.680 177.035 176.300 0.092 0.000 1.089 88 D CA -0.162 53.905 54.000 0.112 0.000 0.883 88 D CB 0.573 41.465 40.800 0.152 0.000 1.029 88 D HN -0.058 nan 8.370 nan 0.000 0.517 89 M N 2.201 121.838 119.600 0.062 0.000 2.617 89 M HA -0.175 4.306 4.480 0.001 0.000 0.258 89 M C 1.693 177.997 176.300 0.007 0.000 1.067 89 M CA 0.821 56.136 55.300 0.025 0.000 1.057 89 M CB 0.192 32.787 32.600 -0.008 0.000 1.397 89 M HN 0.473 nan 8.290 nan 0.000 0.499 90 A N -0.520 122.314 122.820 0.024 0.000 2.119 90 A HA -0.111 4.210 4.320 0.001 0.000 0.217 90 A C 1.807 179.416 177.584 0.042 0.000 1.153 90 A CA 1.240 53.291 52.037 0.023 0.000 0.692 90 A CB -0.329 18.692 19.000 0.034 0.000 0.799 90 A HN 0.459 nan 8.150 nan 0.000 0.458 91 E N -0.346 119.901 120.200 0.078 0.000 2.216 91 E HA 0.076 4.427 4.350 0.001 0.000 0.192 91 E C -0.116 176.523 176.600 0.065 0.000 0.988 91 E CA -0.153 56.334 56.400 0.145 0.000 0.834 91 E CB -0.248 29.593 29.700 0.236 0.000 0.772 91 E HN 0.630 nan 8.360 nan 0.000 0.479 92 L N 1.741 122.889 121.223 -0.125 0.000 2.601 92 L HA -0.078 4.263 4.340 0.001 0.000 0.277 92 L C 1.629 178.217 176.870 -0.470 0.000 1.219 92 L CA 0.261 54.774 54.840 -0.545 0.000 0.915 92 L CB 0.249 42.121 42.059 -0.312 0.000 1.160 92 L HN 0.178 nan 8.230 nan 0.000 0.494 93 T N -1.717 112.399 114.554 -0.730 0.000 2.995 93 T HA -0.027 4.323 4.350 0.001 0.000 0.269 93 T C 0.586 175.178 174.700 -0.180 0.000 1.091 93 T CA 0.072 62.009 62.100 -0.271 0.000 1.128 93 T CB -0.283 68.522 68.868 -0.105 0.000 0.891 93 T HN 0.602 nan 8.240 nan 0.000 0.492 94 C N 1.808 120.970 119.300 -0.229 0.000 2.316 94 C HA 0.679 5.140 4.460 0.001 0.000 0.324 94 C C -0.104 174.807 174.990 -0.132 0.000 1.226 94 C CA -1.570 57.375 59.018 -0.122 0.000 1.450 94 C CB -0.374 27.328 27.740 -0.064 0.000 2.123 94 C HN 0.515 nan 8.230 nan 0.000 0.454 95 L N 4.447 125.610 121.223 -0.100 0.000 2.257 95 L HA 0.403 4.743 4.340 0.001 0.000 0.290 95 L C -0.464 176.343 176.870 -0.104 0.000 1.044 95 L CA 0.495 55.278 54.840 -0.095 0.000 0.810 95 L CB 0.446 42.473 42.059 -0.053 0.000 1.193 95 L HN 0.831 nan 8.230 nan 0.000 0.425 96 N N 1.476 120.080 118.700 -0.159 0.000 2.571 96 N HA 0.198 4.939 4.740 0.001 0.000 0.273 96 N C 0.094 175.462 175.510 -0.237 0.000 1.340 96 N CA -0.825 52.100 53.050 -0.208 0.000 0.789 96 N CB 1.300 39.598 38.487 -0.316 0.000 1.514 96 N HN 0.380 nan 8.380 nan 0.000 0.499 97 E N 0.251 120.316 120.200 -0.225 0.000 2.204 97 E HA -0.085 4.266 4.350 0.001 0.000 0.194 97 E C 1.060 177.453 176.600 -0.345 0.000 0.989 97 E CA 0.760 57.068 56.400 -0.152 0.000 0.824 97 E CB 0.089 29.789 29.700 -0.000 0.000 0.756 97 E HN 0.650 nan 8.360 nan 0.000 0.477 98 A N 0.016 122.333 122.820 -0.839 0.000 1.887 98 A HA -0.005 4.316 4.320 0.001 0.000 0.212 98 A C 2.367 179.346 177.584 -1.008 0.000 1.198 98 A CA 0.840 51.985 52.037 -1.487 0.000 0.628 98 A CB -0.391 17.146 19.000 -2.438 0.000 0.847 98 A HN 0.130 nan 8.150 nan 0.000 0.449 99 S N -0.151 115.036 115.700 -0.855 0.000 2.377 99 S HA -0.207 4.264 4.470 0.001 0.000 0.224 99 S C 1.940 176.374 174.600 -0.276 0.000 1.042 99 S CA 1.936 59.813 58.200 -0.538 0.000 1.086 99 S CB -0.552 62.463 63.200 -0.309 0.000 0.995 99 S HN 0.315 nan 8.310 nan 0.000 0.428 100 V N 2.298 122.088 119.914 -0.207 0.000 2.380 100 V HA -0.194 3.927 4.120 0.001 0.000 0.251 100 V C 2.251 178.299 176.094 -0.077 0.000 1.063 100 V CA 1.959 64.197 62.300 -0.103 0.000 1.055 100 V CB -0.772 31.007 31.823 -0.074 0.000 0.657 100 V HN 0.553 nan 8.190 nan 0.000 0.455 101 L N -0.677 120.477 121.223 -0.114 0.000 2.046 101 L HA -0.219 4.122 4.340 0.001 0.000 0.208 101 L C 2.455 179.341 176.870 0.028 0.000 1.077 101 L CA 2.304 57.123 54.840 -0.034 0.000 0.747 101 L CB -0.793 41.273 42.059 0.011 0.000 0.896 101 L HN 0.435 nan 8.230 nan 0.000 0.432 102 H N -0.123 118.853 119.070 -0.156 0.000 2.274 102 H HA -0.264 4.293 4.556 0.001 0.000 0.296 102 H C 2.120 177.473 175.328 0.043 0.000 1.061 102 H CA 2.100 58.119 56.048 -0.049 0.000 1.226 102 H CB -0.058 29.635 29.762 -0.114 0.000 1.370 102 H HN 0.472 nan 8.280 nan 0.000 0.507 103 N N 0.192 118.903 118.700 0.018 0.000 2.112 103 N HA -0.233 4.508 4.740 0.001 0.000 0.200 103 N C 2.221 177.732 175.510 0.001 0.000 1.011 103 N CA 2.289 55.332 53.050 -0.010 0.000 0.891 103 N CB -0.409 38.094 38.487 0.026 0.000 1.060 103 N HN 0.321 nan 8.380 nan 0.000 0.478 104 L N -0.598 120.632 121.223 0.011 0.000 2.083 104 L HA -0.149 4.192 4.340 0.001 0.000 0.209 104 L C 2.556 179.467 176.870 0.069 0.000 1.083 104 L CA 1.117 55.966 54.840 0.016 0.000 0.752 104 L CB -0.514 41.529 42.059 -0.028 0.000 0.899 104 L HN 0.249 nan 8.230 nan 0.000 0.433 105 R N 0.447 121.002 120.500 0.092 0.000 2.082 105 R HA -0.192 4.148 4.340 0.001 0.000 0.234 105 R C 2.228 178.700 176.300 0.287 0.000 1.136 105 R CA 1.526 57.761 56.100 0.226 0.000 0.935 105 R CB -0.050 30.385 30.300 0.225 0.000 0.842 105 R HN 0.160 nan 8.270 nan 0.000 0.430 106 E N 0.424 120.683 120.200 0.099 0.000 1.995 106 E HA -0.205 4.145 4.350 0.001 0.000 0.207 106 E C 1.931 178.620 176.600 0.149 0.000 1.016 106 E CA 1.995 58.450 56.400 0.091 0.000 0.865 106 E CB -0.359 29.316 29.700 -0.042 0.000 0.797 106 E HN 0.327 nan 8.360 nan 0.000 0.491 107 R N -0.459 120.104 120.500 0.106 0.000 2.153 107 R HA -0.261 4.080 4.340 0.001 0.000 0.252 107 R C 2.472 178.866 176.300 0.157 0.000 1.158 107 R CA 1.790 57.962 56.100 0.120 0.000 0.975 107 R CB -0.913 29.445 30.300 0.097 0.000 0.871 107 R HN 0.277 nan 8.270 nan 0.000 0.450 108 Y N 1.263 121.564 120.300 0.001 0.000 2.070 108 Y HA -0.182 4.369 4.550 0.001 0.000 0.279 108 Y C 1.878 177.742 175.900 -0.059 0.000 1.134 108 Y CA 1.066 59.109 58.100 -0.095 0.000 1.113 108 Y CB -0.748 37.560 38.460 -0.253 0.000 0.981 108 Y HN -0.131 nan 8.280 nan 0.000 0.487 109 F N 0.286 120.168 119.950 -0.113 0.000 2.664 109 F HA -0.110 4.418 4.527 0.001 0.000 0.297 109 F C 2.027 177.782 175.800 -0.075 0.000 1.164 109 F CA 1.438 59.324 58.000 -0.190 0.000 1.472 109 F CB -0.436 38.535 39.000 -0.048 0.000 1.108 109 F HN 0.017 nan 8.300 nan 0.000 0.596 110 S N -1.345 114.442 115.700 0.144 0.000 2.578 110 S HA 0.407 4.878 4.470 0.001 0.000 0.231 110 S C 1.714 176.443 174.600 0.215 0.000 0.994 110 S CA 0.357 58.648 58.200 0.152 0.000 0.956 110 S CB 0.516 63.793 63.200 0.128 0.000 0.870 110 S HN 0.492 nan 8.310 nan 0.000 0.494 111 G N 1.449 110.360 108.800 0.184 0.000 2.213 111 G HA2 -0.217 3.744 3.960 0.001 0.000 0.236 111 G HA3 -0.217 3.744 3.960 0.001 0.000 0.236 111 G C -0.138 174.883 174.900 0.202 0.000 0.991 111 G CA -0.278 44.993 45.100 0.285 0.000 0.629 111 G HN 0.438 nan 8.290 nan 0.000 0.517 112 L N 2.026 123.363 121.223 0.191 0.000 2.282 112 L HA 0.658 4.998 4.340 0.001 0.000 0.288 112 L C 1.734 178.703 176.870 0.165 0.000 1.033 112 L CA -0.884 54.057 54.840 0.168 0.000 0.807 112 L CB 1.084 43.228 42.059 0.142 0.000 1.209 112 L HN 0.267 nan 8.230 nan 0.000 0.423 113 I N -1.017 119.662 120.570 0.181 0.000 3.393 113 I HA 0.126 4.297 4.170 0.001 0.000 0.250 113 I C 0.099 176.265 176.117 0.083 0.000 1.122 113 I CA -0.006 61.363 61.300 0.115 0.000 1.484 113 I CB -0.164 37.854 38.000 0.029 0.000 1.468 113 I HN 0.256 nan 8.210 nan 0.000 0.461 114 Y N 4.822 125.111 120.300 -0.018 0.000 2.853 114 Y HA 0.099 4.650 4.550 0.001 0.000 0.365 114 Y C 0.767 176.695 175.900 0.048 0.000 1.310 114 Y CA 0.332 58.429 58.100 -0.006 0.000 1.703 114 Y CB -0.896 37.538 38.460 -0.043 0.000 1.238 114 Y HN 0.235 nan 8.280 nan 0.000 0.510 115 T N 1.820 116.481 114.554 0.179 0.000 2.889 115 T HA 0.503 4.853 4.350 0.001 0.000 0.278 115 T C -1.153 173.750 174.700 0.338 0.000 0.995 115 T CA -0.832 61.367 62.100 0.166 0.000 0.966 115 T CB 1.062 69.977 68.868 0.078 0.000 1.237 115 T HN 0.185 nan 8.240 nan 0.000 0.591 116 Y N 0.959 121.242 120.300 -0.027 0.000 2.425 116 Y HA 0.532 5.083 4.550 0.001 0.000 0.344 116 Y C -0.186 175.619 175.900 -0.158 0.000 0.969 116 Y CA -1.756 56.301 58.100 -0.072 0.000 1.052 116 Y CB 1.946 40.387 38.460 -0.032 0.000 1.215 116 Y HN 0.671 nan 8.280 nan 0.000 0.451 117 S N 1.494 117.048 115.700 -0.244 0.000 2.746 117 S HA 0.627 5.098 4.470 0.001 0.000 0.273 117 S C 0.458 174.521 174.600 -0.894 0.000 1.172 117 S CA -0.442 57.450 58.200 -0.513 0.000 1.116 117 S CB 1.035 63.857 63.200 -0.630 0.000 1.057 117 S HN 1.288 nan 8.310 nan 0.000 0.483 118 G N 3.054 111.613 108.800 -0.401 0.000 2.622 118 G HA2 -0.322 3.638 3.960 0.001 0.000 0.307 118 G HA3 -0.322 3.638 3.960 0.001 0.000 0.307 118 G C 0.609 175.410 174.900 -0.164 0.000 1.226 118 G CA 0.522 45.486 45.100 -0.226 0.000 0.997 118 G HN 0.736 nan 8.290 nan 0.000 0.551 119 L N 0.691 121.935 121.223 0.034 0.000 2.162 119 L HA 0.257 4.597 4.340 0.001 0.000 0.205 119 L C 2.036 178.993 176.870 0.146 0.000 1.086 119 L CA 0.954 55.868 54.840 0.123 0.000 0.778 119 L CB -0.733 41.459 42.059 0.223 0.000 0.928 119 L HN 0.470 nan 8.230 nan 0.000 0.446 120 F N -0.003 119.993 119.950 0.076 0.000 2.291 120 F HA 0.481 5.009 4.527 0.001 0.000 0.305 120 F C 0.162 175.944 175.800 -0.030 0.000 1.171 120 F CA -2.480 55.584 58.000 0.106 0.000 1.090 120 F CB -0.189 38.951 39.000 0.234 0.000 1.436 120 F HN -0.147 nan 8.300 nan 0.000 0.509 121 C N 1.061 120.397 119.300 0.060 0.000 2.608 121 C HA 0.810 5.270 4.460 0.001 0.000 0.325 121 C C -0.527 174.471 174.990 0.015 0.000 1.147 121 C CA -0.648 58.326 59.018 -0.074 0.000 1.359 121 C CB 0.498 28.164 27.740 -0.123 0.000 1.912 121 C HN 0.841 nan 8.230 nan 0.000 0.466 122 V N 4.519 124.428 119.914 -0.009 0.000 3.003 122 V HA 0.513 4.634 4.120 0.001 0.000 0.305 122 V C 0.345 176.383 176.094 -0.094 0.000 1.078 122 V CA -0.088 62.192 62.300 -0.034 0.000 1.083 122 V CB 1.629 33.429 31.823 -0.037 0.000 1.039 122 V HN 0.833 nan 8.190 nan 0.000 0.481 123 V N 4.318 124.122 119.914 -0.184 0.000 3.535 123 V HA 0.214 4.335 4.120 0.001 0.000 0.439 123 V C -0.189 175.698 176.094 -0.345 0.000 1.462 123 V CA -0.455 61.643 62.300 -0.337 0.000 1.966 123 V CB 0.416 31.942 31.823 -0.496 0.000 1.026 123 V HN 0.715 nan 8.190 nan 0.000 0.579 124 I N 2.053 122.439 120.570 -0.308 0.000 3.115 124 I HA -0.113 4.058 4.170 0.001 0.000 0.315 124 I C 1.022 176.896 176.117 -0.404 0.000 1.211 124 I CA 1.115 62.167 61.300 -0.413 0.000 1.453 124 I CB 0.089 37.719 38.000 -0.615 0.000 1.307 124 I HN 0.418 nan 8.210 nan 0.000 0.568 125 N N 7.854 126.293 118.700 -0.436 0.000 2.488 125 N HA 0.179 4.919 4.740 0.001 0.000 0.274 125 N C -1.788 173.620 175.510 -0.169 0.000 1.111 125 N CA -1.924 50.898 53.050 -0.380 0.000 0.974 125 N CB 1.271 39.413 38.487 -0.575 0.000 1.089 125 N HN 0.273 nan 8.380 nan 0.000 0.465 126 P HA -0.010 nan 4.420 nan 0.000 0.217 126 P C -0.214 177.217 177.300 0.219 0.000 1.153 126 P CA 0.721 63.956 63.100 0.225 0.000 0.843 126 P CB 0.449 32.202 31.700 0.088 0.000 0.794 127 Y N -1.506 118.821 120.300 0.045 0.000 4.841 127 Y HA -0.211 4.340 4.550 0.001 0.000 0.242 127 Y C 0.577 176.486 175.900 0.016 0.000 1.002 127 Y CA 0.533 58.646 58.100 0.022 0.000 2.011 127 Y CB -2.159 36.316 38.460 0.025 0.000 1.554 127 Y HN 0.098 nan 8.280 nan 0.000 0.618 128 K N 0.020 120.507 120.400 0.145 0.000 2.346 128 K HA 0.567 4.888 4.320 0.001 0.000 0.238 128 K C -0.443 176.188 176.600 0.051 0.000 1.039 128 K CA -0.748 55.584 56.287 0.075 0.000 0.861 128 K CB 1.236 33.747 32.500 0.020 0.000 1.278 128 K HN -0.091 nan 8.250 nan 0.000 0.460 129 Q N 2.249 122.068 119.800 0.032 0.000 2.901 129 Q HA 0.316 4.656 4.340 0.001 0.000 0.265 129 Q C -0.756 175.233 176.000 -0.018 0.000 1.263 129 Q CA -0.103 55.724 55.803 0.040 0.000 1.088 129 Q CB 0.228 28.999 28.738 0.055 0.000 1.339 129 Q HN 0.306 nan 8.270 nan 0.000 0.546 130 L N 2.400 123.568 121.223 -0.091 0.000 2.453 130 L HA 0.244 4.584 4.340 0.001 0.000 0.272 130 L C -1.592 175.168 176.870 -0.183 0.000 1.182 130 L CA -1.652 53.013 54.840 -0.291 0.000 0.858 130 L CB 0.061 41.847 42.059 -0.455 0.000 1.120 130 L HN 0.279 nan 8.230 nan 0.000 0.474 131 P HA 0.119 nan 4.420 nan 0.000 0.219 131 P C 0.309 177.579 177.300 -0.050 0.000 1.832 131 P CA 0.084 63.177 63.100 -0.013 0.000 1.014 131 P CB -0.097 31.653 31.700 0.083 0.000 1.939 132 I N -2.659 117.772 120.570 -0.231 0.000 4.102 132 I HA 0.326 4.496 4.170 0.001 0.000 0.325 132 I C -1.202 174.699 176.117 -0.359 0.000 1.471 132 I CA -0.573 60.533 61.300 -0.324 0.000 1.133 132 I CB -0.036 37.691 38.000 -0.455 0.000 1.184 132 I HN -0.206 nan 8.210 nan 0.000 0.451 133 Y N 2.168 122.574 120.300 0.177 0.000 2.329 133 Y HA 0.687 5.238 4.550 0.001 0.000 0.328 133 Y C 0.272 176.346 175.900 0.290 0.000 0.992 133 Y CA -0.838 57.466 58.100 0.341 0.000 1.151 133 Y CB 1.572 40.201 38.460 0.281 0.000 1.150 133 Y HN 0.308 nan 8.280 nan 0.000 0.450 134 S N 0.402 116.366 115.700 0.440 0.000 2.627 134 S HA 0.272 4.742 4.470 0.001 0.000 0.268 134 S C 0.192 174.885 174.600 0.155 0.000 1.130 134 S CA -0.890 57.459 58.200 0.248 0.000 0.819 134 S CB 1.436 64.747 63.200 0.186 0.000 1.100 134 S HN 0.461 nan 8.310 nan 0.000 0.465 135 E N 0.925 121.194 120.200 0.115 0.000 2.171 135 E HA -0.093 4.258 4.350 0.001 0.000 0.197 135 E C 1.677 178.311 176.600 0.057 0.000 0.997 135 E CA 1.899 58.342 56.400 0.072 0.000 0.810 135 E CB -0.121 29.655 29.700 0.128 0.000 0.738 135 E HN 0.578 nan 8.360 nan 0.000 0.467 136 K N -0.143 120.307 120.400 0.083 0.000 1.973 136 K HA -0.115 4.206 4.320 0.001 0.000 0.210 136 K C 1.883 178.535 176.600 0.087 0.000 1.045 136 K CA 1.580 57.912 56.287 0.074 0.000 0.937 136 K CB -0.143 32.403 32.500 0.077 0.000 0.721 136 K HN 0.110 nan 8.250 nan 0.000 0.438 137 I N 1.886 122.541 120.570 0.141 0.000 2.315 137 I HA -0.285 3.886 4.170 0.001 0.000 0.251 137 I C 2.191 178.488 176.117 0.301 0.000 1.125 137 I CA 1.239 62.677 61.300 0.230 0.000 1.392 137 I CB -1.314 36.872 38.000 0.310 0.000 1.065 137 I HN 0.225 nan 8.210 nan 0.000 0.424 138 I N 1.444 122.060 120.570 0.077 0.000 2.226 138 I HA -0.261 3.910 4.170 0.001 0.000 0.245 138 I C 2.228 178.334 176.117 -0.018 0.000 1.100 138 I CA 1.622 62.840 61.300 -0.135 0.000 1.374 138 I CB -1.225 36.567 38.000 -0.348 0.000 1.057 138 I HN 0.197 nan 8.210 nan 0.000 0.413 139 D N 0.737 121.136 120.400 -0.001 0.000 2.078 139 D HA -0.165 4.476 4.640 0.001 0.000 0.193 139 D C 2.332 178.663 176.300 0.052 0.000 0.990 139 D CA 1.105 55.111 54.000 0.011 0.000 0.827 139 D CB -0.307 40.504 40.800 0.018 0.000 0.975 139 D HN 0.189 nan 8.370 nan 0.000 0.451 140 M N -0.766 118.857 119.600 0.038 0.000 2.255 140 M HA -0.235 4.246 4.480 0.001 0.000 0.259 140 M C 1.207 177.439 176.300 -0.114 0.000 1.071 140 M CA 1.447 56.712 55.300 -0.059 0.000 1.074 140 M CB -0.140 32.372 32.600 -0.147 0.000 1.384 140 M HN 0.169 nan 8.290 nan 0.000 0.415 141 Y N -0.984 119.395 120.300 0.131 0.000 2.481 141 Y HA 0.161 4.712 4.550 0.001 0.000 0.258 141 Y C 0.895 176.919 175.900 0.206 0.000 1.103 141 Y CA -0.114 58.096 58.100 0.183 0.000 1.287 141 Y CB 0.201 38.826 38.460 0.275 0.000 1.108 141 Y HN 0.007 nan 8.280 nan 0.000 0.529 142 K N 0.771 121.349 120.400 0.297 0.000 2.437 142 K HA 0.144 4.464 4.320 0.001 0.000 0.277 142 K C 1.245 177.947 176.600 0.170 0.000 1.073 142 K CA 1.275 57.687 56.287 0.208 0.000 1.105 142 K CB -0.359 32.178 32.500 0.061 0.000 0.881 142 K HN 0.504 nan 8.250 nan 0.000 0.475 143 G N 3.048 111.961 108.800 0.188 0.000 2.267 143 G HA2 -0.308 3.653 3.960 0.001 0.000 0.257 143 G HA3 -0.308 3.653 3.960 0.001 0.000 0.257 143 G C -0.104 174.868 174.900 0.121 0.000 0.998 143 G CA 0.416 45.594 45.100 0.129 0.000 0.620 143 G HN 0.559 nan 8.290 nan 0.000 0.529 144 K N 1.555 122.047 120.400 0.154 0.000 2.412 144 K HA 0.461 4.782 4.320 0.001 0.000 0.284 144 K C 0.934 177.615 176.600 0.135 0.000 1.046 144 K CA 0.049 56.420 56.287 0.140 0.000 0.999 144 K CB 0.772 33.359 32.500 0.145 0.000 0.941 144 K HN 0.563 nan 8.250 nan 0.000 0.474 145 K N 2.342 122.785 120.400 0.073 0.000 2.213 145 K HA -0.085 4.236 4.320 0.001 0.000 0.243 145 K C 0.889 177.494 176.600 0.009 0.000 1.085 145 K CA 0.540 56.818 56.287 -0.015 0.000 0.818 145 K CB 0.399 32.799 32.500 -0.168 0.000 1.106 145 K HN 0.400 nan 8.250 nan 0.000 0.520 146 R N -0.303 120.146 120.500 -0.085 0.000 2.061 146 R HA -0.082 4.258 4.340 0.001 0.000 0.230 146 R C 2.243 178.595 176.300 0.087 0.000 1.140 146 R CA 2.170 58.297 56.100 0.045 0.000 0.940 146 R CB -1.010 29.319 30.300 0.048 0.000 0.839 146 R HN 0.753 nan 8.270 nan 0.000 0.429 147 H N 0.156 119.291 119.070 0.108 0.000 2.512 147 H HA 0.179 4.736 4.556 0.001 0.000 0.279 147 H C 0.602 175.966 175.328 0.061 0.000 0.999 147 H CA 0.504 56.593 56.048 0.067 0.000 1.283 147 H CB -0.545 29.256 29.762 0.064 0.000 1.421 147 H HN 0.240 nan 8.280 nan 0.000 0.554 148 E N 0.609 121.143 120.200 0.557 0.000 2.482 148 E HA 0.069 4.419 4.350 0.001 0.000 0.200 148 E C -0.123 176.585 176.600 0.180 0.000 1.147 148 E CA 0.201 56.810 56.400 0.349 0.000 0.912 148 E CB -0.029 29.825 29.700 0.257 0.000 0.938 148 E HN 0.394 nan 8.360 nan 0.000 0.519 149 M N -0.124 119.567 119.600 0.151 0.000 3.122 149 M HA 0.178 4.659 4.480 0.001 0.000 0.267 149 M C -2.829 173.474 176.300 0.006 0.000 0.971 149 M CA -1.554 53.772 55.300 0.043 0.000 0.788 149 M CB 1.841 34.432 32.600 -0.014 0.000 1.611 149 M HN -0.246 nan 8.290 nan 0.000 0.560 150 P HA 0.424 nan 4.420 nan 0.000 0.279 150 P C -2.789 174.485 177.300 -0.044 0.000 1.252 150 P CA -1.268 61.727 63.100 -0.176 0.000 0.811 150 P CB -0.599 30.863 31.700 -0.397 0.000 1.035 151 P HA 0.049 nan 4.420 nan 0.000 0.263 151 P C -0.222 177.094 177.300 0.027 0.000 1.195 151 P CA 1.129 64.157 63.100 -0.119 0.000 0.762 151 P CB 0.042 31.584 31.700 -0.263 0.000 0.799 152 H N 2.583 121.538 119.070 -0.192 0.000 3.068 152 H HA 0.129 4.685 4.556 0.001 0.000 0.342 152 H C 0.448 175.423 175.328 -0.588 0.000 1.284 152 H CA -0.649 54.972 56.048 -0.711 0.000 1.181 152 H CB 1.741 30.985 29.762 -0.862 0.000 1.898 152 H HN 0.082 nan 8.280 nan 0.000 0.540 153 I N 3.059 122.832 120.570 -1.328 0.000 2.208 153 I HA -0.272 3.899 4.170 0.001 0.000 0.245 153 I C 1.530 177.470 176.117 -0.296 0.000 1.097 153 I CA 1.478 62.508 61.300 -0.449 0.000 1.363 153 I CB -0.782 37.046 38.000 -0.286 0.000 1.051 153 I HN 0.544 nan 8.210 nan 0.000 0.413 154 Y N 0.640 120.788 120.300 -0.253 0.000 2.333 154 Y HA -0.072 4.479 4.550 0.001 0.000 0.290 154 Y C 2.524 178.004 175.900 -0.700 0.000 1.144 154 Y CA 0.584 58.420 58.100 -0.439 0.000 1.228 154 Y CB -1.646 36.788 38.460 -0.044 0.000 0.985 154 Y HN 0.228 nan 8.280 nan 0.000 0.542 155 A N 0.272 122.860 122.820 -0.387 0.000 1.873 155 A HA -0.141 4.179 4.320 0.001 0.000 0.215 155 A C 2.224 179.734 177.584 -0.124 0.000 1.186 155 A CA 1.762 53.659 52.037 -0.233 0.000 0.616 155 A CB -1.026 17.910 19.000 -0.108 0.000 0.823 155 A HN 0.360 nan 8.150 nan 0.000 0.442 156 I N 0.175 120.670 120.570 -0.124 0.000 2.315 156 I HA -0.215 3.956 4.170 0.001 0.000 0.248 156 I C 2.865 178.911 176.117 -0.118 0.000 1.117 156 I CA 1.100 62.343 61.300 -0.096 0.000 1.404 156 I CB -0.357 37.597 38.000 -0.076 0.000 1.071 156 I HN 0.305 nan 8.210 nan 0.000 0.419 157 A N 0.274 122.963 122.820 -0.218 0.000 1.883 157 A HA -0.303 4.017 4.320 0.001 0.000 0.217 157 A C 2.056 179.556 177.584 -0.141 0.000 1.186 157 A CA 2.492 54.387 52.037 -0.236 0.000 0.624 157 A CB -0.856 17.852 19.000 -0.487 0.000 0.822 157 A HN 0.419 nan 8.150 nan 0.000 0.444 158 D N -1.432 118.830 120.400 -0.231 0.000 2.149 158 D HA -0.064 4.577 4.640 0.001 0.000 0.201 158 D C 2.050 178.418 176.300 0.113 0.000 0.972 158 D CA 1.666 55.724 54.000 0.096 0.000 0.835 158 D CB -0.001 40.902 40.800 0.171 0.000 0.966 158 D HN 0.407 nan 8.370 nan 0.000 0.476 159 T N -0.330 114.242 114.554 0.031 0.000 2.746 159 T HA -0.144 4.207 4.350 0.001 0.000 0.267 159 T C 1.965 176.669 174.700 0.007 0.000 1.039 159 T CA 1.363 63.474 62.100 0.018 0.000 1.142 159 T CB -0.428 68.439 68.868 -0.001 0.000 0.866 159 T HN 0.196 nan 8.240 nan 0.000 0.444 160 A N 0.734 123.561 122.820 0.013 0.000 1.898 160 A HA -0.053 4.268 4.320 0.001 0.000 0.216 160 A C 2.139 179.759 177.584 0.061 0.000 1.181 160 A CA 1.456 53.501 52.037 0.014 0.000 0.620 160 A CB -1.018 17.984 19.000 0.004 0.000 0.819 160 A HN 0.551 nan 8.150 nan 0.000 0.442 161 Y N 0.685 120.970 120.300 -0.025 0.000 2.145 161 Y HA -0.202 4.348 4.550 0.001 0.000 0.286 161 Y C 2.414 178.266 175.900 -0.081 0.000 1.145 161 Y CA 2.264 60.339 58.100 -0.042 0.000 1.148 161 Y CB -0.460 37.975 38.460 -0.041 0.000 0.981 161 Y HN 0.293 nan 8.280 nan 0.000 0.507 162 R N -0.348 119.991 120.500 -0.267 0.000 2.115 162 R HA -0.054 4.287 4.340 0.001 0.000 0.226 162 R C 2.474 178.643 176.300 -0.219 0.000 1.100 162 R CA 1.301 57.190 56.100 -0.352 0.000 0.980 162 R CB -0.544 29.653 30.300 -0.172 0.000 0.875 162 R HN 0.263 nan 8.270 nan 0.000 0.445 163 S N 0.354 115.978 115.700 -0.127 0.000 2.368 163 S HA -0.172 4.298 4.470 0.001 0.000 0.225 163 S C 1.733 176.270 174.600 -0.104 0.000 1.030 163 S CA 1.554 59.698 58.200 -0.092 0.000 0.999 163 S CB -0.224 62.940 63.200 -0.061 0.000 0.844 163 S HN 0.498 nan 8.310 nan 0.000 0.459 164 M N 0.597 120.133 119.600 -0.108 0.000 2.086 164 M HA -0.098 4.383 4.480 0.001 0.000 0.261 164 M C 1.797 178.028 176.300 -0.114 0.000 1.067 164 M CA 1.716 56.965 55.300 -0.085 0.000 1.116 164 M CB -0.395 32.197 32.600 -0.013 0.000 1.348 164 M HN 0.259 nan 8.290 nan 0.000 0.407 165 L N 0.558 121.652 121.223 -0.215 0.000 2.201 165 L HA -0.195 4.145 4.340 0.001 0.000 0.212 165 L C 2.820 179.589 176.870 -0.168 0.000 1.105 165 L CA 1.043 55.741 54.840 -0.238 0.000 0.775 165 L CB -0.546 41.257 42.059 -0.426 0.000 0.913 165 L HN 0.418 nan 8.230 nan 0.000 0.440 166 Q N 0.150 119.858 119.800 -0.153 0.000 1.961 166 Q HA -0.132 4.208 4.340 0.001 0.000 0.197 166 Q C 1.398 177.348 176.000 -0.083 0.000 0.977 166 Q CA 1.676 57.412 55.803 -0.111 0.000 0.830 166 Q CB -0.414 28.264 28.738 -0.100 0.000 0.896 166 Q HN 0.614 nan 8.270 nan 0.000 0.437 167 D N -0.243 120.113 120.400 -0.075 0.000 2.319 167 D HA 0.068 4.708 4.640 0.001 0.000 0.230 167 D C -0.586 175.683 176.300 -0.053 0.000 1.094 167 D CA -0.239 53.726 54.000 -0.059 0.000 0.856 167 D CB -0.319 40.448 40.800 -0.055 0.000 0.915 167 D HN 0.018 nan 8.370 nan 0.000 0.517 168 R N 0.246 120.713 120.500 -0.056 0.000 2.672 168 R HA -0.214 4.127 4.340 0.001 0.000 0.268 168 R C -0.644 175.636 176.300 -0.034 0.000 0.935 168 R CA 0.751 56.828 56.100 -0.039 0.000 0.776 168 R CB -1.638 28.645 30.300 -0.028 0.000 1.954 168 R HN 0.484 nan 8.270 nan 0.000 0.523 169 E N 1.569 121.743 120.200 -0.044 0.000 2.499 169 E HA 0.051 4.401 4.350 0.001 0.000 0.327 169 E C -1.060 175.486 176.600 -0.091 0.000 0.929 169 E CA -0.572 55.796 56.400 -0.053 0.000 0.788 169 E CB 0.808 30.474 29.700 -0.057 0.000 1.452 169 E HN 0.253 nan 8.360 nan 0.000 0.387 170 D N 2.970 123.295 120.400 -0.125 0.000 2.563 170 D HA -0.077 4.564 4.640 0.001 0.000 0.229 170 D C 0.002 176.102 176.300 -0.334 0.000 1.159 170 D CA 1.029 54.833 54.000 -0.326 0.000 0.869 170 D CB 0.734 41.203 40.800 -0.551 0.000 1.203 170 D HN 0.385 nan 8.370 nan 0.000 0.478 171 Q N -0.005 119.557 119.800 -0.398 0.000 2.552 171 Q HA 0.601 4.942 4.340 0.001 0.000 0.289 171 Q C -0.598 175.245 176.000 -0.262 0.000 1.097 171 Q CA -0.920 54.729 55.803 -0.257 0.000 0.812 171 Q CB 2.116 30.772 28.738 -0.136 0.000 1.460 171 Q HN 0.496 nan 8.270 nan 0.000 0.452 172 S N -0.346 115.247 115.700 -0.178 0.000 2.572 172 S HA 0.677 5.147 4.470 0.001 0.000 0.274 172 S C -0.970 173.516 174.600 -0.190 0.000 1.150 172 S CA -0.729 57.376 58.200 -0.158 0.000 0.944 172 S CB 0.568 63.718 63.200 -0.085 0.000 1.071 172 S HN 0.484 nan 8.310 nan 0.000 0.479 173 I N 3.317 123.781 120.570 -0.176 0.000 2.382 173 I HA 0.430 4.600 4.170 0.001 0.000 0.286 173 I C -1.139 174.879 176.117 -0.165 0.000 1.002 173 I CA -0.777 60.421 61.300 -0.170 0.000 1.135 173 I CB 1.431 39.362 38.000 -0.114 0.000 1.288 173 I HN 0.598 nan 8.210 nan 0.000 0.448 174 L N 5.735 126.842 121.223 -0.194 0.000 2.319 174 L HA 0.569 4.910 4.340 0.001 0.000 0.281 174 L C -0.719 176.149 176.870 -0.003 0.000 1.005 174 L CA -0.569 54.208 54.840 -0.104 0.000 0.828 174 L CB 1.196 43.183 42.059 -0.120 0.000 1.227 174 L HN 0.519 nan 8.230 nan 0.000 0.415 175 C N 1.633 120.927 119.300 -0.011 0.000 2.373 175 C HA 0.538 4.999 4.460 0.001 0.000 0.354 175 C C 1.569 176.562 174.990 0.005 0.000 1.249 175 C CA -0.453 58.561 59.018 -0.007 0.000 1.784 175 C CB -0.374 27.334 27.740 -0.052 0.000 2.408 175 C HN 0.959 nan 8.230 nan 0.000 0.542 176 T N 1.461 116.025 114.554 0.016 0.000 3.560 176 T HA 0.694 5.044 4.350 0.001 0.000 0.350 176 T C 0.609 175.286 174.700 -0.039 0.000 1.264 176 T CA 0.683 62.777 62.100 -0.011 0.000 0.924 176 T CB -0.008 68.816 68.868 -0.074 0.000 1.997 176 T HN 2.289 nan 8.240 nan 0.000 0.553 177 G N 0.672 109.446 108.800 -0.043 0.000 2.733 177 G HA2 0.056 4.016 3.960 0.001 0.000 0.686 177 G HA3 0.056 4.016 3.960 0.001 0.000 0.686 177 G C -0.541 174.362 174.900 0.005 0.000 1.373 177 G CA -0.201 44.871 45.100 -0.047 0.000 0.838 177 G HN 1.206 nan 8.290 nan 0.000 0.588 178 E N -0.271 119.938 120.200 0.014 0.000 2.342 178 E HA 0.588 4.939 4.350 0.001 0.000 0.257 178 E C 0.827 177.451 176.600 0.041 0.000 1.150 178 E CA -0.183 56.272 56.400 0.092 0.000 0.926 178 E CB 0.812 30.597 29.700 0.143 0.000 1.074 178 E HN 1.192 nan 8.360 nan 0.000 0.449 179 S N 0.440 116.177 115.700 0.061 0.000 2.546 179 S HA 0.323 4.793 4.470 0.001 0.000 0.290 179 S C 0.998 175.594 174.600 -0.006 0.000 1.262 179 S CA 0.606 58.813 58.200 0.012 0.000 1.083 179 S CB -0.890 62.314 63.200 0.007 0.000 0.859 179 S HN 1.106 nan 8.310 nan 0.000 0.495 180 G N 3.393 112.172 108.800 -0.034 0.000 2.218 180 G HA2 -0.172 3.789 3.960 0.001 0.000 0.216 180 G HA3 -0.172 3.789 3.960 0.001 0.000 0.216 180 G C 0.894 175.715 174.900 -0.131 0.000 0.994 180 G CA 0.197 45.274 45.100 -0.039 0.000 0.637 180 G HN 1.434 nan 8.290 nan 0.000 0.505 181 A N -0.182 122.552 122.820 -0.143 0.000 2.066 181 A HA 0.546 4.867 4.320 0.001 0.000 0.218 181 A C 2.530 179.967 177.584 -0.245 0.000 1.157 181 A CA 2.609 54.518 52.037 -0.213 0.000 0.670 181 A CB -0.315 18.584 19.000 -0.168 0.000 0.804 181 A HN 2.371 nan 8.150 nan 0.000 0.453 182 G N -1.594 107.088 108.800 -0.198 0.000 3.006 182 G HA2 -0.191 3.770 3.960 0.001 0.000 0.195 182 G HA3 -0.191 3.770 3.960 0.001 0.000 0.195 182 G C 0.909 175.717 174.900 -0.154 0.000 1.034 182 G CA 0.604 45.586 45.100 -0.198 0.000 0.807 182 G HN 0.289 nan 8.290 nan 0.000 0.469 183 K N 0.287 120.607 120.400 -0.133 0.000 2.324 183 K HA -0.314 4.006 4.320 0.001 0.000 0.215 183 K C 2.459 178.997 176.600 -0.104 0.000 0.924 183 K CA 3.218 59.441 56.287 -0.106 0.000 0.953 183 K CB -0.930 31.518 32.500 -0.087 0.000 1.058 183 K HN 0.478 nan 8.250 nan 0.000 0.504 184 T N 0.741 115.231 114.554 -0.107 0.000 2.545 184 T HA -0.172 4.179 4.350 0.001 0.000 0.261 184 T C 1.482 176.123 174.700 -0.100 0.000 1.097 184 T CA 1.683 63.723 62.100 -0.101 0.000 1.189 184 T CB -0.383 68.425 68.868 -0.101 0.000 0.863 184 T HN 0.322 nan 8.240 nan 0.000 0.405 185 E N 1.561 121.695 120.200 -0.109 0.000 2.136 185 E HA -0.242 4.108 4.350 0.001 0.000 0.208 185 E C 2.039 178.553 176.600 -0.144 0.000 1.035 185 E CA 1.423 57.745 56.400 -0.130 0.000 0.838 185 E CB -0.775 28.841 29.700 -0.140 0.000 0.748 185 E HN 0.619 nan 8.360 nan 0.000 0.459 186 N N -0.014 118.610 118.700 -0.127 0.000 2.166 186 N HA -0.101 4.640 4.740 0.001 0.000 0.186 186 N C 1.812 177.278 175.510 -0.074 0.000 1.019 186 N CA 1.440 54.430 53.050 -0.099 0.000 0.856 186 N CB -0.151 38.271 38.487 -0.108 0.000 0.993 186 N HN 0.148 nan 8.380 nan 0.000 0.426 187 T N 1.633 116.140 114.554 -0.077 0.000 2.777 187 T HA -0.034 4.317 4.350 0.001 0.000 0.266 187 T C 1.820 176.491 174.700 -0.048 0.000 1.040 187 T CA 0.859 62.921 62.100 -0.064 0.000 1.141 187 T CB 0.043 68.869 68.868 -0.070 0.000 0.868 187 T HN 0.220 nan 8.240 nan 0.000 0.444 188 K N 1.136 121.501 120.400 -0.059 0.000 2.097 188 K HA -0.053 4.267 4.320 0.001 0.000 0.206 188 K C 2.340 178.930 176.600 -0.015 0.000 1.049 188 K CA 0.872 57.130 56.287 -0.047 0.000 0.933 188 K CB -0.082 32.377 32.500 -0.068 0.000 0.717 188 K HN 0.282 nan 8.250 nan 0.000 0.442 189 K N 0.820 121.204 120.400 -0.027 0.000 2.057 189 K HA -0.072 4.249 4.320 0.001 0.000 0.206 189 K C 2.237 178.975 176.600 0.229 0.000 1.050 189 K CA 0.890 57.234 56.287 0.095 0.000 0.935 189 K CB -0.447 32.006 32.500 -0.079 0.000 0.715 189 K HN -0.027 nan 8.250 nan 0.000 0.439 190 V N 2.301 122.274 119.914 0.098 0.000 2.407 190 V HA -0.205 3.916 4.120 0.001 0.000 0.248 190 V C 2.324 178.478 176.094 0.100 0.000 1.055 190 V CA 1.448 63.795 62.300 0.080 0.000 1.049 190 V CB -0.407 31.417 31.823 0.001 0.000 0.662 190 V HN 0.226 nan 8.190 nan 0.000 0.455 191 I N -0.133 120.470 120.570 0.055 0.000 2.333 191 I HA -0.230 3.940 4.170 0.001 0.000 0.246 191 I C 2.613 178.744 176.117 0.024 0.000 1.106 191 I CA 1.619 62.935 61.300 0.026 0.000 1.411 191 I CB -0.674 37.317 38.000 -0.016 0.000 1.082 191 I HN 0.402 nan 8.210 nan 0.000 0.420 192 Q N 1.150 120.973 119.800 0.038 0.000 2.096 192 Q HA -0.288 4.053 4.340 0.001 0.000 0.204 192 Q C 2.386 178.385 176.000 -0.002 0.000 0.982 192 Q CA 2.025 57.833 55.803 0.009 0.000 0.850 192 Q CB -0.393 28.381 28.738 0.060 0.000 0.901 192 Q HN 0.565 nan 8.270 nan 0.000 0.422 193 Y N 0.673 120.916 120.300 -0.094 0.000 2.163 193 Y HA -0.125 4.425 4.550 0.001 0.000 0.288 193 Y C 1.879 177.685 175.900 -0.157 0.000 1.136 193 Y CA 1.458 59.443 58.100 -0.192 0.000 1.147 193 Y CB -0.215 38.166 38.460 -0.132 0.000 0.987 193 Y HN 0.112 nan 8.280 nan 0.000 0.509 194 L N -0.325 120.998 121.223 0.166 0.000 2.141 194 L HA -0.129 4.212 4.340 0.001 0.000 0.209 194 L C 2.645 179.470 176.870 -0.076 0.000 1.094 194 L CA 0.984 55.837 54.840 0.021 0.000 0.763 194 L CB -0.671 41.441 42.059 0.088 0.000 0.908 194 L HN 0.348 nan 8.230 nan 0.000 0.437 195 A N -0.566 122.218 122.820 -0.060 0.000 2.019 195 A HA -0.161 4.160 4.320 0.001 0.000 0.219 195 A C 2.144 179.694 177.584 -0.057 0.000 1.164 195 A CA 2.019 54.014 52.037 -0.071 0.000 0.644 195 A CB -0.523 18.390 19.000 -0.145 0.000 0.805 195 A HN 0.376 nan 8.150 nan 0.000 0.449 196 V N -4.646 115.177 119.914 -0.152 0.000 3.455 196 V HA 0.152 4.273 4.120 0.001 0.000 0.250 196 V C 1.667 177.550 176.094 -0.352 0.000 1.230 196 V CA 0.991 63.125 62.300 -0.277 0.000 1.105 196 V CB 0.017 31.585 31.823 -0.424 0.000 0.850 196 V HN 0.057 nan 8.190 nan 0.000 0.461 197 V N 1.120 120.786 119.914 -0.412 0.000 3.573 197 V HA 0.456 4.577 4.120 0.001 0.000 0.270 197 V C 1.932 177.868 176.094 -0.264 0.000 1.221 197 V CA 1.458 63.512 62.300 -0.409 0.000 1.163 197 V CB -0.059 31.356 31.823 -0.680 0.000 0.847 197 V HN 0.734 nan 8.190 nan 0.000 0.468 198 A N -1.775 120.911 122.820 -0.223 0.000 2.674 198 A HA 0.394 4.715 4.320 0.001 0.000 0.274 198 A C 0.835 178.445 177.584 0.043 0.000 1.065 198 A CA -0.020 51.954 52.037 -0.105 0.000 0.978 198 A CB 0.374 19.151 19.000 -0.372 0.000 1.242 198 A HN 0.278 nan 8.150 nan 0.000 0.583 199 S N -0.211 115.456 115.700 -0.056 0.000 2.608 199 S HA 0.661 5.131 4.470 0.001 0.000 0.261 199 S C 0.488 174.965 174.600 -0.204 0.000 1.314 199 S CA 0.169 58.326 58.200 -0.072 0.000 0.992 199 S CB 0.977 64.138 63.200 -0.064 0.000 0.935 199 S HN 0.476 nan 8.310 nan 0.000 0.564 214 S N -0.015 115.758 115.700 0.123 0.000 2.505 214 S HA 0.643 5.114 4.470 0.001 0.000 0.276 214 S C -1.016 173.637 174.600 0.088 0.000 1.274 214 S CA 0.099 58.364 58.200 0.107 0.000 1.053 214 S CB -0.591 62.638 63.200 0.049 0.000 0.919 214 S HN 0.234 nan 8.310 nan 0.000 0.490 215 F N 2.239 122.096 119.950 -0.154 0.000 2.703 215 F HA 0.334 4.862 4.527 0.001 0.000 0.308 215 F C -0.398 175.086 175.800 -0.526 0.000 1.126 215 F CA -0.769 56.994 58.000 -0.395 0.000 0.959 215 F CB 1.415 40.051 39.000 -0.607 0.000 1.297 215 F HN 0.323 nan 8.300 nan 0.000 0.441 216 S N 3.896 119.599 115.700 0.005 0.000 3.363 216 S HA 0.342 4.812 4.470 0.001 0.000 0.267 216 S C -0.646 174.063 174.600 0.181 0.000 1.288 216 S CA -0.276 57.960 58.200 0.061 0.000 0.948 216 S CB -0.785 62.373 63.200 -0.070 0.000 1.397 216 S HN 0.395 nan 8.310 nan 0.000 0.493 217 Y N 0.991 121.427 120.300 0.228 0.000 2.262 217 Y HA 0.506 5.057 4.550 0.001 0.000 0.368 217 Y C 1.642 177.565 175.900 0.038 0.000 1.352 217 Y CA -0.442 57.695 58.100 0.061 0.000 1.760 217 Y CB -0.485 37.957 38.460 -0.029 0.000 1.627 217 Y HN 0.468 nan 8.280 nan 0.000 0.606 218 G N -0.340 108.574 108.800 0.190 0.000 2.525 218 G HA2 0.096 4.056 3.960 0.001 0.000 0.276 218 G HA3 0.096 4.056 3.960 0.001 0.000 0.276 218 G C 0.485 175.439 174.900 0.089 0.000 1.388 218 G CA -0.354 44.802 45.100 0.093 0.000 1.050 218 G HN 0.633 nan 8.290 nan 0.000 0.520 219 E N -0.511 119.720 120.200 0.051 0.000 2.102 219 E HA -0.061 4.289 4.350 0.001 0.000 0.190 219 E C 2.565 179.176 176.600 0.019 0.000 0.971 219 E CA 0.687 57.110 56.400 0.038 0.000 0.821 219 E CB -0.315 29.402 29.700 0.029 0.000 0.777 219 E HN 0.398 nan 8.360 nan 0.000 0.460 220 L N 0.456 121.687 121.223 0.014 0.000 2.179 220 L HA 0.083 4.424 4.340 0.001 0.000 0.208 220 L C 1.768 178.623 176.870 -0.025 0.000 1.096 220 L CA 1.530 56.369 54.840 -0.002 0.000 0.779 220 L CB -0.464 41.598 42.059 0.007 0.000 0.922 220 L HN -0.206 nan 8.230 nan 0.000 0.443 221 E N 0.411 120.598 120.200 -0.022 0.000 2.204 221 E HA -0.127 4.223 4.350 0.001 0.000 0.194 221 E C 2.065 178.567 176.600 -0.163 0.000 0.989 221 E CA 0.909 57.262 56.400 -0.077 0.000 0.824 221 E CB -0.238 29.442 29.700 -0.032 0.000 0.756 221 E HN 0.480 nan 8.360 nan 0.000 0.477 222 K N 0.219 120.566 120.400 -0.088 0.000 2.097 222 K HA -0.135 4.186 4.320 0.001 0.000 0.205 222 K C 1.997 178.535 176.600 -0.103 0.000 1.050 222 K CA 1.229 57.458 56.287 -0.096 0.000 0.938 222 K CB 0.078 32.582 32.500 0.006 0.000 0.718 222 K HN 0.180 nan 8.250 nan 0.000 0.442 223 Q N 0.118 119.874 119.800 -0.074 0.000 2.165 223 Q HA -0.044 4.297 4.340 0.001 0.000 0.197 223 Q C 1.865 177.815 176.000 -0.084 0.000 0.952 223 Q CA 0.347 56.108 55.803 -0.071 0.000 0.848 223 Q CB -0.023 28.689 28.738 -0.043 0.000 0.931 223 Q HN 0.114 nan 8.270 nan 0.000 0.470 224 L N 0.587 121.762 121.223 -0.079 0.000 2.357 224 L HA -0.174 4.166 4.340 0.001 0.000 0.220 224 L C 1.392 178.202 176.870 -0.100 0.000 1.123 224 L CA 1.450 56.244 54.840 -0.076 0.000 0.782 224 L CB -0.187 41.831 42.059 -0.069 0.000 0.910 224 L HN 0.172 nan 8.230 nan 0.000 0.442 225 L N -1.239 119.902 121.223 -0.137 0.000 2.307 225 L HA 0.077 4.418 4.340 0.001 0.000 0.211 225 L C 1.972 178.775 176.870 -0.112 0.000 1.099 225 L CA 1.067 55.814 54.840 -0.156 0.000 0.816 225 L CB -0.742 41.170 42.059 -0.246 0.000 0.952 225 L HN 0.349 nan 8.230 nan 0.000 0.455 226 Q N -1.310 118.427 119.800 -0.105 0.000 2.222 226 Q HA 0.307 4.648 4.340 0.001 0.000 0.206 226 Q C 1.630 177.570 176.000 -0.101 0.000 0.877 226 Q CA 0.451 56.193 55.803 -0.103 0.000 0.958 226 Q CB 0.287 28.954 28.738 -0.118 0.000 1.075 226 Q HN 0.361 nan 8.270 nan 0.000 0.483 227 A N 0.331 123.106 122.820 -0.074 0.000 1.843 227 A HA -0.091 4.229 4.320 0.001 0.000 0.213 227 A C 1.780 179.352 177.584 -0.019 0.000 1.202 227 A CA 1.114 53.122 52.037 -0.049 0.000 0.607 227 A CB -0.235 18.746 19.000 -0.032 0.000 0.847 227 A HN 0.367 nan 8.150 nan 0.000 0.445 228 N N -0.281 118.414 118.700 -0.008 0.000 2.396 228 N HA -0.051 4.690 4.740 0.001 0.000 0.180 228 N C -1.185 174.334 175.510 0.015 0.000 1.028 228 N CA 0.979 54.045 53.050 0.027 0.000 0.893 228 N CB -0.458 38.038 38.487 0.015 0.000 0.967 228 N HN 0.384 nan 8.380 nan 0.000 0.440 229 P HA 0.016 nan 4.420 nan 0.000 0.237 229 P C 1.267 178.530 177.300 -0.062 0.000 1.178 229 P CA 0.682 63.767 63.100 -0.025 0.000 0.766 229 P CB 0.167 31.845 31.700 -0.036 0.000 0.876 230 I N -0.649 119.872 120.570 -0.082 0.000 2.685 230 I HA -0.035 4.135 4.170 0.001 0.000 0.251 230 I C 2.311 178.357 176.117 -0.117 0.000 1.102 230 I CA 0.441 61.644 61.300 -0.161 0.000 1.442 230 I CB -0.428 37.482 38.000 -0.151 0.000 1.194 230 I HN -0.233 nan 8.210 nan 0.000 0.448 231 L N 0.454 121.725 121.223 0.079 0.000 2.353 231 L HA -0.131 4.210 4.340 0.001 0.000 0.220 231 L C 1.996 179.105 176.870 0.399 0.000 1.133 231 L CA 1.306 56.335 54.840 0.315 0.000 0.798 231 L CB -0.848 41.459 42.059 0.413 0.000 0.922 231 L HN 0.349 nan 8.230 nan 0.000 0.445 232 E N 0.660 120.970 120.200 0.183 0.000 2.170 232 E HA -0.054 4.296 4.350 0.001 0.000 0.191 232 E C 2.265 178.853 176.600 -0.020 0.000 0.981 232 E CA 0.748 57.218 56.400 0.117 0.000 0.830 232 E CB 0.055 29.784 29.700 0.050 0.000 0.775 232 E HN 0.489 nan 8.360 nan 0.000 0.470 233 A N 1.858 124.589 122.820 -0.149 0.000 1.952 233 A HA -0.163 4.157 4.320 0.001 0.000 0.206 233 A C 0.748 178.212 177.584 -0.199 0.000 1.213 233 A CA 1.207 53.036 52.037 -0.347 0.000 0.690 233 A CB -1.083 17.515 19.000 -0.671 0.000 0.854 233 A HN 0.284 nan 8.150 nan 0.000 0.485 234 F N -1.233 118.788 119.950 0.118 0.000 2.515 234 F HA 0.607 5.134 4.527 0.001 0.000 0.353 234 F C 1.079 177.093 175.800 0.356 0.000 1.213 234 F CA -0.298 57.843 58.000 0.235 0.000 1.194 234 F CB -0.283 38.854 39.000 0.229 0.000 1.488 234 F HN 0.414 nan 8.300 nan 0.000 0.619 235 G N 2.026 111.149 108.800 0.537 0.000 3.847 235 G HA2 -0.054 3.907 3.960 0.001 0.000 0.189 235 G HA3 -0.054 3.907 3.960 0.001 0.000 0.189 235 G C -0.467 174.610 174.900 0.296 0.000 0.907 235 G CA -0.600 44.650 45.100 0.250 0.000 0.893 235 G HN 0.432 nan 8.290 nan 0.000 0.379 236 N N 0.914 119.652 118.700 0.063 0.000 2.443 236 N HA 0.792 5.533 4.740 0.001 0.000 0.295 236 N C -0.274 174.817 175.510 -0.699 0.000 1.076 236 N CA 0.636 53.530 53.050 -0.259 0.000 0.919 236 N CB 2.003 40.348 38.487 -0.237 0.000 1.176 236 N HN 0.714 nan 8.380 nan 0.000 0.487 237 A N 0.803 123.256 122.820 -0.613 0.000 2.604 237 A HA 0.418 4.739 4.320 0.001 0.000 0.295 237 A C -1.095 176.457 177.584 -0.054 0.000 1.067 237 A CA -0.878 50.885 52.037 -0.457 0.000 0.683 237 A CB 0.926 19.723 19.000 -0.339 0.000 1.281 237 A HN 0.629 nan 8.150 nan 0.000 0.407 238 K N 1.210 121.750 120.400 0.233 0.000 2.436 238 K HA 0.368 4.689 4.320 0.001 0.000 0.282 238 K C 0.326 176.957 176.600 0.052 0.000 1.044 238 K CA 0.948 57.309 56.287 0.124 0.000 1.028 238 K CB 0.215 32.750 32.500 0.058 0.000 0.919 238 K HN 0.940 nan 8.250 nan 0.000 0.474 239 T N -0.150 114.428 114.554 0.041 0.000 2.807 239 T HA 0.233 4.584 4.350 0.001 0.000 0.277 239 T C 0.676 175.391 174.700 0.025 0.000 1.006 239 T CA -0.410 61.725 62.100 0.059 0.000 1.006 239 T CB 1.126 70.045 68.868 0.086 0.000 1.274 239 T HN 0.462 nan 8.240 nan 0.000 0.569 240 V N -0.102 119.816 119.914 0.007 0.000 3.478 240 V HA 0.443 4.564 4.120 0.001 0.000 0.323 240 V C 0.400 176.441 176.094 -0.089 0.000 1.241 240 V CA 0.423 62.696 62.300 -0.044 0.000 1.274 240 V CB -2.092 29.698 31.823 -0.056 0.000 1.115 240 V HN 0.931 nan 8.190 nan 0.000 0.424 241 K N -0.082 120.279 120.400 -0.064 0.000 2.744 241 K HA 0.341 4.661 4.320 0.001 0.000 0.165 241 K C -0.245 176.359 176.600 0.007 0.000 1.171 241 K CA -0.199 56.065 56.287 -0.040 0.000 1.150 241 K CB 0.015 32.448 32.500 -0.111 0.000 0.862 241 K HN 0.281 nan 8.250 nan 0.000 0.460 242 N N 1.440 120.150 118.700 0.017 0.000 4.190 242 N HA -0.022 4.718 4.740 0.001 0.000 0.184 242 N C -0.818 174.717 175.510 0.042 0.000 1.230 242 N CA -0.066 53.005 53.050 0.034 0.000 0.927 242 N CB 1.456 39.948 38.487 0.009 0.000 1.653 242 N HN 0.062 nan 8.380 nan 0.000 0.832 243 D N 1.044 121.476 120.400 0.054 0.000 2.182 243 D HA -0.143 4.498 4.640 0.001 0.000 0.201 243 D C 0.206 176.582 176.300 0.127 0.000 0.986 243 D CA 1.360 55.393 54.000 0.055 0.000 0.847 243 D CB 0.363 41.186 40.800 0.037 0.000 0.942 243 D HN 0.528 nan 8.370 nan 0.000 0.467 244 N N -0.244 118.527 118.700 0.118 0.000 2.707 244 N HA 0.024 4.765 4.740 0.001 0.000 0.249 244 N C -1.685 173.822 175.510 -0.004 0.000 1.299 244 N CA -0.248 52.888 53.050 0.143 0.000 0.769 244 N CB 1.175 39.783 38.487 0.201 0.000 1.236 244 N HN -0.290 nan 8.380 nan 0.000 0.524 245 S N 1.428 117.094 115.700 -0.056 0.000 2.499 245 S HA 0.319 4.790 4.470 0.001 0.000 0.279 245 S C -0.082 174.416 174.600 -0.170 0.000 1.219 245 S CA -0.466 57.678 58.200 -0.093 0.000 1.062 245 S CB 0.497 63.660 63.200 -0.061 0.000 0.978 245 S HN 0.457 nan 8.310 nan 0.000 0.489 246 S N 3.893 119.474 115.700 -0.198 0.000 2.465 246 S HA 0.140 4.611 4.470 0.001 0.000 0.307 246 S C 0.614 175.022 174.600 -0.321 0.000 1.187 246 S CA -0.217 57.771 58.200 -0.352 0.000 1.141 246 S CB -0.151 62.818 63.200 -0.386 0.000 1.108 246 S HN 0.578 nan 8.310 nan 0.000 0.525 247 R N 3.188 123.562 120.500 -0.210 0.000 3.192 247 R HA 0.318 4.659 4.340 0.001 0.000 0.264 247 R C -0.663 175.790 176.300 0.255 0.000 1.464 247 R CA -0.173 55.910 56.100 -0.029 0.000 1.309 247 R CB -0.954 29.244 30.300 -0.170 0.000 1.283 247 R HN 0.607 nan 8.270 nan 0.000 0.584 248 F N -5.613 114.327 119.950 -0.017 0.000 2.878 248 F HA 0.507 5.035 4.527 0.001 0.000 0.322 248 F C -0.101 175.771 175.800 0.120 0.000 1.154 248 F CA -1.713 56.318 58.000 0.052 0.000 0.896 248 F CB 0.186 39.224 39.000 0.064 0.000 1.313 248 F HN -0.118 nan 8.300 nan 0.000 0.451 249 G N 0.706 109.728 108.800 0.370 0.000 2.476 249 G HA2 0.542 4.503 3.960 0.001 0.000 0.269 249 G HA3 0.542 4.503 3.960 0.001 0.000 0.269 249 G C -1.644 173.587 174.900 0.551 0.000 1.195 249 G CA -0.748 44.563 45.100 0.353 0.000 0.843 249 G HN 0.914 nan 8.290 nan 0.000 0.545 250 K N 0.386 121.024 120.400 0.397 0.000 2.535 250 K HA 0.499 4.820 4.320 0.001 0.000 0.251 250 K C -2.221 174.618 176.600 0.399 0.000 0.942 250 K CA -0.829 55.699 56.287 0.402 0.000 0.798 250 K CB 1.739 34.357 32.500 0.197 0.000 1.267 250 K HN 0.329 nan 8.250 nan 0.000 0.434 251 F N 6.256 126.373 119.950 0.279 0.000 2.810 251 F HA 0.426 4.954 4.527 0.001 0.000 0.373 251 F C -1.400 174.474 175.800 0.124 0.000 1.174 251 F CA -0.732 57.388 58.000 0.199 0.000 1.141 251 F CB 0.529 39.700 39.000 0.285 0.000 1.420 251 F HN 0.368 nan 8.300 nan 0.000 0.518 252 I N 4.968 125.454 120.570 -0.140 0.000 2.441 252 I HA 0.338 4.509 4.170 0.001 0.000 0.287 252 I C 0.039 176.027 176.117 -0.214 0.000 1.049 252 I CA -0.018 61.221 61.300 -0.101 0.000 1.381 252 I CB 1.065 39.013 38.000 -0.086 0.000 1.409 252 I HN 0.511 nan 8.210 nan 0.000 0.523 253 R N 6.871 127.344 120.500 -0.045 0.000 2.388 253 R HA 0.645 4.986 4.340 0.001 0.000 0.314 253 R C -1.508 174.784 176.300 -0.013 0.000 0.959 253 R CA -0.580 55.539 56.100 0.032 0.000 0.851 253 R CB 0.782 31.169 30.300 0.145 0.000 1.168 253 R HN 0.578 nan 8.270 nan 0.000 0.472 254 I N 3.589 124.110 120.570 -0.081 0.000 2.353 254 I HA 0.233 4.403 4.170 0.001 0.000 0.293 254 I C -0.179 175.704 176.117 -0.390 0.000 0.992 254 I CA -0.524 60.631 61.300 -0.241 0.000 1.268 254 I CB 1.604 39.403 38.000 -0.336 0.000 1.387 254 I HN 0.518 nan 8.210 nan 0.000 0.478 255 N N 6.695 125.224 118.700 -0.285 0.000 2.469 255 N HA 0.355 5.096 4.740 0.001 0.000 0.253 255 N C -0.996 174.427 175.510 -0.144 0.000 0.970 255 N CA -0.360 52.576 53.050 -0.190 0.000 0.940 255 N CB 1.138 39.602 38.487 -0.039 0.000 1.128 255 N HN 0.215 nan 8.380 nan 0.000 0.503 256 F N 0.886 120.921 119.950 0.141 0.000 2.378 256 F HA 0.241 4.769 4.527 0.001 0.000 0.325 256 F C 1.404 177.261 175.800 0.096 0.000 1.097 256 F CA -1.006 57.071 58.000 0.129 0.000 1.079 256 F CB 0.633 39.722 39.000 0.150 0.000 1.240 256 F HN 0.388 nan 8.300 nan 0.000 0.519 257 D N -0.399 120.174 120.400 0.288 0.000 2.539 257 D HA 0.177 4.818 4.640 0.001 0.000 0.280 257 D C 0.880 177.230 176.300 0.085 0.000 1.208 257 D CA -0.428 53.665 54.000 0.156 0.000 1.088 257 D CB 0.005 40.891 40.800 0.143 0.000 1.149 257 D HN 0.242 nan 8.370 nan 0.000 0.596 258 V N -2.017 117.919 119.914 0.035 0.000 3.444 258 V HA 0.020 4.141 4.120 0.001 0.000 0.271 258 V C 1.075 177.116 176.094 -0.088 0.000 1.188 258 V CA 1.128 63.422 62.300 -0.010 0.000 1.168 258 V CB -1.561 30.261 31.823 -0.002 0.000 0.810 258 V HN 0.637 nan 8.190 nan 0.000 0.500 259 T N -0.213 114.242 114.554 -0.165 0.000 3.331 259 T HA 0.492 4.842 4.350 0.001 0.000 0.282 259 T C 1.364 175.648 174.700 -0.693 0.000 1.010 259 T CA 0.174 62.024 62.100 -0.418 0.000 0.928 259 T CB 0.368 68.948 68.868 -0.480 0.000 1.154 259 T HN 0.737 nan 8.240 nan 0.000 0.516 260 G N 1.575 110.184 108.800 -0.318 0.000 2.337 260 G HA2 -0.288 3.673 3.960 0.001 0.000 0.290 260 G HA3 -0.288 3.673 3.960 0.001 0.000 0.290 260 G C -0.276 174.568 174.900 -0.095 0.000 1.003 260 G CA 0.310 45.274 45.100 -0.228 0.000 0.825 260 G HN 0.567 nan 8.290 nan 0.000 0.509 261 Y N -0.981 119.410 120.300 0.152 0.000 2.420 261 Y HA 0.630 5.181 4.550 0.001 0.000 0.334 261 Y C 1.123 177.213 175.900 0.317 0.000 1.094 261 Y CA -2.396 55.803 58.100 0.164 0.000 1.126 261 Y CB 0.896 39.421 38.460 0.108 0.000 1.217 261 Y HN 0.104 nan 8.280 nan 0.000 0.462 262 I N 2.042 122.899 120.570 0.478 0.000 2.634 262 I HA 0.058 4.229 4.170 0.001 0.000 0.284 262 I C 0.758 177.004 176.117 0.216 0.000 1.124 262 I CA 0.436 61.956 61.300 0.366 0.000 1.417 262 I CB 1.080 39.223 38.000 0.238 0.000 1.396 262 I HN 0.601 nan 8.210 nan 0.000 0.571 263 V N 4.444 124.441 119.914 0.140 0.000 3.221 263 V HA 0.479 4.600 4.120 0.001 0.000 0.254 263 V C 0.207 176.327 176.094 0.044 0.000 1.586 263 V CA 0.747 63.103 62.300 0.094 0.000 1.074 263 V CB 0.983 32.870 31.823 0.106 0.000 0.912 263 V HN 0.793 nan 8.190 nan 0.000 0.426 264 G N -0.124 108.687 108.800 0.018 0.000 2.704 264 G HA2 0.841 4.801 3.960 0.001 0.000 0.293 264 G HA3 0.841 4.801 3.960 0.001 0.000 0.293 264 G C -1.348 173.530 174.900 -0.037 0.000 1.421 264 G CA -0.136 44.958 45.100 -0.010 0.000 0.870 264 G HN 1.188 nan 8.290 nan 0.000 0.492 265 A N 0.610 123.407 122.820 -0.037 0.000 2.517 265 A HA 0.822 5.143 4.320 0.001 0.000 0.297 265 A C -1.288 176.276 177.584 -0.033 0.000 1.050 265 A CA -0.729 51.282 52.037 -0.044 0.000 0.694 265 A CB 2.063 21.038 19.000 -0.042 0.000 1.277 265 A HN 0.656 nan 8.150 nan 0.000 0.400 266 N N -0.085 118.603 118.700 -0.021 0.000 2.242 266 N HA 0.780 5.521 4.740 0.001 0.000 0.292 266 N C -1.436 174.099 175.510 0.042 0.000 1.125 266 N CA -0.331 52.715 53.050 -0.006 0.000 0.783 266 N CB 1.752 40.228 38.487 -0.019 0.000 1.558 266 N HN 0.574 nan 8.380 nan 0.000 0.472 267 I N 0.567 121.160 120.570 0.038 0.000 2.498 267 I HA 0.359 4.530 4.170 0.001 0.000 0.290 267 I C -0.522 175.626 176.117 0.052 0.000 1.032 267 I CA -0.826 60.527 61.300 0.087 0.000 1.073 267 I CB 2.102 40.142 38.000 0.066 0.000 1.251 267 I HN 0.443 nan 8.210 nan 0.000 0.426 268 E N 4.614 124.885 120.200 0.118 0.000 2.121 268 E HA 0.214 4.565 4.350 0.001 0.000 0.255 268 E C -0.476 175.945 176.600 -0.298 0.000 0.906 268 E CA -0.433 55.902 56.400 -0.109 0.000 0.745 268 E CB 1.135 30.794 29.700 -0.068 0.000 1.155 268 E HN 0.554 nan 8.360 nan 0.000 0.424 269 T N 4.031 118.436 114.554 -0.247 0.000 2.901 269 T HA 0.266 4.617 4.350 0.001 0.000 0.301 269 T C -1.034 173.487 174.700 -0.297 0.000 1.012 269 T CA 0.171 62.251 62.100 -0.033 0.000 1.135 269 T CB 0.067 68.959 68.868 0.041 0.000 0.936 269 T HN 0.393 nan 8.240 nan 0.000 0.539 270 Y N 3.835 124.325 120.300 0.317 0.000 2.477 270 Y HA 0.465 5.016 4.550 0.001 0.000 0.347 270 Y C 0.293 176.307 175.900 0.191 0.000 0.981 270 Y CA -1.826 56.405 58.100 0.219 0.000 1.033 270 Y CB 1.403 39.987 38.460 0.208 0.000 1.245 270 Y HN 0.673 nan 8.280 nan 0.000 0.455 271 L N 2.016 123.359 121.223 0.199 0.000 3.844 271 L HA -0.237 4.104 4.340 0.001 0.000 0.580 271 L C -0.616 176.328 176.870 0.123 0.000 1.156 271 L CA 0.107 54.975 54.840 0.046 0.000 0.848 271 L CB -1.116 40.887 42.059 -0.093 0.000 1.283 271 L HN 0.530 nan 8.230 nan 0.000 0.803 272 L N 2.455 123.731 121.223 0.088 0.000 2.454 272 L HA 0.155 4.496 4.340 0.001 0.000 0.284 272 L C 1.282 178.224 176.870 0.120 0.000 1.139 272 L CA 0.611 55.466 54.840 0.025 0.000 0.911 272 L CB 0.498 42.436 42.059 -0.201 0.000 1.262 272 L HN 0.333 nan 8.230 nan 0.000 0.453 273 E N 3.348 123.656 120.200 0.180 0.000 2.443 273 E HA -0.093 4.257 4.350 0.001 0.000 0.310 273 E C 0.510 177.332 176.600 0.369 0.000 1.202 273 E CA -0.140 56.363 56.400 0.171 0.000 1.301 273 E CB 0.294 30.044 29.700 0.082 0.000 1.104 273 E HN 0.687 nan 8.360 nan 0.000 0.487 274 K N -0.611 119.971 120.400 0.303 0.000 2.288 274 K HA -0.041 4.280 4.320 0.001 0.000 0.201 274 K C 1.537 178.206 176.600 0.116 0.000 1.048 274 K CA 0.663 57.084 56.287 0.223 0.000 0.956 274 K CB -0.081 32.526 32.500 0.180 0.000 0.746 274 K HN 0.025 nan 8.250 nan 0.000 0.461 275 S N 1.525 117.284 115.700 0.099 0.000 2.512 275 S HA -0.215 4.255 4.470 0.001 0.000 0.253 275 S C 1.663 176.294 174.600 0.051 0.000 0.984 275 S CA 1.619 59.848 58.200 0.047 0.000 0.962 275 S CB -0.482 62.741 63.200 0.038 0.000 0.747 275 S HN 0.632 nan 8.310 nan 0.000 0.525 276 R N 0.501 121.067 120.500 0.111 0.000 2.334 276 R HA 0.464 4.805 4.340 0.001 0.000 0.212 276 R C 1.930 178.290 176.300 0.100 0.000 0.897 276 R CA 0.628 56.794 56.100 0.111 0.000 1.056 276 R CB -0.274 30.101 30.300 0.125 0.000 1.046 276 R HN 0.222 nan 8.270 nan 0.000 0.513 277 A N 1.985 124.821 122.820 0.026 0.000 2.015 277 A HA -0.044 4.277 4.320 0.001 0.000 0.219 277 A C 2.085 179.397 177.584 -0.453 0.000 1.163 277 A CA 1.322 53.221 52.037 -0.231 0.000 0.646 277 A CB -0.471 18.236 19.000 -0.487 0.000 0.806 277 A HN 0.553 nan 8.150 nan 0.000 0.448 278 I N -4.212 116.204 120.570 -0.257 0.000 2.339 278 I HA 0.202 4.373 4.170 0.001 0.000 0.245 278 I C 0.740 176.912 176.117 0.091 0.000 1.096 278 I CA 0.556 61.784 61.300 -0.121 0.000 1.408 278 I CB 0.077 38.102 38.000 0.042 0.000 1.092 278 I HN 0.000 nan 8.210 nan 0.000 0.423 279 R N 1.372 121.906 120.500 0.057 0.000 2.695 279 R HA 0.328 4.669 4.340 0.001 0.000 0.288 279 R C -1.393 174.950 176.300 0.072 0.000 1.344 279 R CA -0.440 55.713 56.100 0.088 0.000 1.005 279 R CB 1.529 31.885 30.300 0.092 0.000 1.233 279 R HN 0.241 nan 8.270 nan 0.000 0.442 280 Q N 1.503 121.354 119.800 0.084 0.000 2.293 280 Q HA 0.535 4.876 4.340 0.001 0.000 0.251 280 Q C 0.381 176.434 176.000 0.088 0.000 0.930 280 Q CA -0.353 55.505 55.803 0.091 0.000 0.893 280 Q CB 1.073 29.885 28.738 0.124 0.000 1.215 280 Q HN 0.618 nan 8.270 nan 0.000 0.425 281 A N 2.383 125.251 122.820 0.080 0.000 2.339 281 A HA 0.043 4.364 4.320 0.001 0.000 0.272 281 A C 0.140 177.778 177.584 0.090 0.000 1.182 281 A CA -0.243 51.844 52.037 0.084 0.000 0.819 281 A CB 0.085 19.145 19.000 0.099 0.000 1.115 281 A HN 0.672 nan 8.150 nan 0.000 0.512 282 K N 0.362 120.814 120.400 0.087 0.000 2.412 282 K HA 0.065 4.386 4.320 0.001 0.000 0.284 282 K C -0.909 175.733 176.600 0.070 0.000 1.046 282 K CA 0.689 57.021 56.287 0.075 0.000 0.999 282 K CB -0.165 32.375 32.500 0.067 0.000 0.941 282 K HN 0.603 nan 8.250 nan 0.000 0.474 283 D N 2.594 123.029 120.400 0.058 0.000 2.746 283 D HA -0.155 4.486 4.640 0.001 0.000 0.236 283 D C -0.924 175.400 176.300 0.040 0.000 1.129 283 D CA 1.188 55.212 54.000 0.040 0.000 0.691 283 D CB -0.768 40.047 40.800 0.026 0.000 1.077 283 D HN 0.700 nan 8.370 nan 0.000 0.432 284 E N -0.902 119.334 120.200 0.059 0.000 2.456 284 E HA 0.698 5.049 4.350 0.001 0.000 0.276 284 E C 0.115 176.769 176.600 0.090 0.000 0.981 284 E CA -1.013 55.426 56.400 0.065 0.000 0.814 284 E CB 2.189 31.944 29.700 0.091 0.000 1.382 284 E HN 0.012 nan 8.360 nan 0.000 0.459 285 R N -0.376 120.187 120.500 0.104 0.000 2.888 285 R HA 0.570 4.911 4.340 0.001 0.000 0.264 285 R C -0.309 176.163 176.300 0.287 0.000 1.045 285 R CA -0.842 55.392 56.100 0.224 0.000 0.962 285 R CB 1.088 31.386 30.300 -0.003 0.000 1.210 285 R HN 0.526 nan 8.270 nan 0.000 0.479 286 T N -0.780 114.084 114.554 0.517 0.000 2.865 286 T HA 0.316 4.666 4.350 0.001 0.000 0.302 286 T C 0.193 175.232 174.700 0.564 0.000 1.078 286 T CA -0.590 61.830 62.100 0.532 0.000 0.942 286 T CB 0.076 69.297 68.868 0.589 0.000 1.387 286 T HN 0.249 nan 8.240 nan 0.000 0.557 287 F N 1.709 121.826 119.950 0.279 0.000 2.504 287 F HA 0.155 4.683 4.527 0.001 0.000 0.365 287 F C 1.981 177.819 175.800 0.062 0.000 1.140 287 F CA -0.274 57.733 58.000 0.012 0.000 1.077 287 F CB -1.567 37.284 39.000 -0.248 0.000 1.106 287 F HN 0.662 nan 8.300 nan 0.000 0.578 288 H N 1.350 120.477 119.070 0.095 0.000 2.329 288 H HA -0.357 4.200 4.556 0.001 0.000 0.272 288 H C 2.295 177.507 175.328 -0.195 0.000 1.156 288 H CA 1.777 57.794 56.048 -0.052 0.000 1.146 288 H CB -0.201 29.341 29.762 -0.366 0.000 1.396 288 H HN 0.581 nan 8.280 nan 0.000 0.480 289 I N 1.052 121.476 120.570 -0.242 0.000 2.290 289 I HA -0.308 3.863 4.170 0.001 0.000 0.253 289 I C 1.759 177.952 176.117 0.126 0.000 1.112 289 I CA 1.333 62.560 61.300 -0.121 0.000 1.377 289 I CB -0.550 37.525 38.000 0.125 0.000 1.060 289 I HN 0.108 nan 8.210 nan 0.000 0.428 290 F N 0.116 120.204 119.950 0.229 0.000 2.069 290 F HA -0.242 4.286 4.527 0.001 0.000 0.298 290 F C 2.348 178.150 175.800 0.003 0.000 1.113 290 F CA 2.097 60.111 58.000 0.024 0.000 1.214 290 F CB -1.637 37.263 39.000 -0.166 0.000 0.978 290 F HN 0.134 nan 8.300 nan 0.000 0.474 291 Y N -2.200 118.347 120.300 0.412 0.000 2.242 291 Y HA -0.204 4.346 4.550 0.001 0.000 0.291 291 Y C 2.367 178.567 175.900 0.500 0.000 1.137 291 Y CA 0.757 59.174 58.100 0.528 0.000 1.181 291 Y CB -1.418 37.423 38.460 0.634 0.000 0.989 291 Y HN -0.008 nan 8.280 nan 0.000 0.527 292 Y N -0.670 119.861 120.300 0.385 0.000 2.256 292 Y HA -0.208 4.343 4.550 0.001 0.000 0.288 292 Y C 2.298 178.121 175.900 -0.127 0.000 1.155 292 Y CA 0.463 58.740 58.100 0.295 0.000 1.203 292 Y CB -0.929 37.820 38.460 0.481 0.000 0.980 292 Y HN 0.186 nan 8.280 nan 0.000 0.530 293 L N -0.028 121.198 121.223 0.005 0.000 2.084 293 L HA -0.026 4.315 4.340 0.001 0.000 0.202 293 L C 2.090 178.744 176.870 -0.361 0.000 1.074 293 L CA 1.361 55.920 54.840 -0.468 0.000 0.757 293 L CB -0.963 41.070 42.059 -0.043 0.000 0.918 293 L HN 0.109 nan 8.230 nan 0.000 0.444 294 I N -0.079 120.364 120.570 -0.213 0.000 2.502 294 I HA -0.297 3.874 4.170 0.001 0.000 0.258 294 I C 2.112 178.167 176.117 -0.104 0.000 1.172 294 I CA 1.301 62.408 61.300 -0.323 0.000 1.430 294 I CB -0.673 36.799 38.000 -0.880 0.000 1.086 294 I HN 0.416 nan 8.210 nan 0.000 0.440 295 A N -0.046 122.795 122.820 0.035 0.000 2.127 295 A HA 0.326 4.647 4.320 0.001 0.000 0.204 295 A C 2.215 179.766 177.584 -0.055 0.000 1.243 295 A CA 0.650 52.752 52.037 0.108 0.000 0.887 295 A CB -0.420 18.745 19.000 0.275 0.000 0.933 295 A HN 0.352 nan 8.150 nan 0.000 0.479 296 G N -0.050 108.574 108.800 -0.293 0.000 2.777 296 G HA2 0.391 4.352 3.960 0.001 0.000 0.211 296 G HA3 0.391 4.352 3.960 0.001 0.000 0.211 296 G C 0.808 175.447 174.900 -0.436 0.000 1.149 296 G CA 0.759 45.639 45.100 -0.366 0.000 0.785 296 G HN 0.733 nan 8.290 nan 0.000 0.536 297 A N 0.502 123.000 122.820 -0.536 0.000 2.386 297 A HA 0.585 4.906 4.320 0.001 0.000 0.246 297 A C 0.844 178.406 177.584 -0.036 0.000 1.089 297 A CA 0.409 52.317 52.037 -0.216 0.000 0.790 297 A CB 0.340 19.228 19.000 -0.187 0.000 1.042 297 A HN 0.782 nan 8.150 nan 0.000 0.497 298 S N -0.800 114.919 115.700 0.031 0.000 2.593 298 S HA 0.335 4.805 4.470 0.001 0.000 0.297 298 S C 0.823 175.437 174.600 0.024 0.000 1.112 298 S CA 0.146 58.370 58.200 0.040 0.000 1.043 298 S CB 1.420 64.659 63.200 0.065 0.000 1.054 298 S HN 0.886 nan 8.310 nan 0.000 0.516 299 E N 0.777 120.990 120.200 0.022 0.000 2.114 299 E HA -0.321 4.029 4.350 0.001 0.000 0.199 299 E C 1.673 178.283 176.600 0.016 0.000 1.008 299 E CA 1.591 58.001 56.400 0.017 0.000 0.810 299 E CB -0.163 29.548 29.700 0.018 0.000 0.739 299 E HN 0.780 nan 8.360 nan 0.000 0.456 300 Q N 0.406 120.219 119.800 0.022 0.000 1.946 300 Q HA -0.191 4.150 4.340 0.001 0.000 0.199 300 Q C 2.611 178.623 176.000 0.021 0.000 0.979 300 Q CA 1.829 57.644 55.803 0.020 0.000 0.834 300 Q CB -0.278 28.474 28.738 0.024 0.000 0.899 300 Q HN 0.540 nan 8.270 nan 0.000 0.431 301 M N 0.521 120.140 119.600 0.033 0.000 2.108 301 M HA -0.257 4.224 4.480 0.001 0.000 0.257 301 M C 2.151 178.466 176.300 0.026 0.000 1.071 301 M CA 2.491 57.815 55.300 0.040 0.000 1.093 301 M CB -0.691 31.952 32.600 0.073 0.000 1.345 301 M HN 0.113 nan 8.290 nan 0.000 0.403 302 R N 1.394 121.904 120.500 0.016 0.000 2.105 302 R HA -0.204 4.137 4.340 0.001 0.000 0.239 302 R C 1.922 178.226 176.300 0.006 0.000 1.135 302 R CA 2.114 58.216 56.100 0.004 0.000 0.967 302 R CB -1.218 29.078 30.300 -0.006 0.000 0.861 302 R HN 0.789 nan 8.270 nan 0.000 0.442 303 N N 0.279 118.982 118.700 0.004 0.000 2.463 303 N HA -0.127 4.614 4.740 0.001 0.000 0.181 303 N C 0.053 175.553 175.510 -0.017 0.000 1.078 303 N CA 1.181 54.228 53.050 -0.005 0.000 0.902 303 N CB 0.021 38.505 38.487 -0.004 0.000 0.970 303 N HN 0.283 nan 8.380 nan 0.000 0.451 304 D N -0.212 120.182 120.400 -0.009 0.000 2.339 304 D HA 0.200 4.841 4.640 0.001 0.000 0.217 304 D C 0.728 177.017 176.300 -0.019 0.000 1.050 304 D CA 0.345 54.334 54.000 -0.018 0.000 0.856 304 D CB 0.314 41.113 40.800 -0.001 0.000 0.922 304 D HN 0.342 nan 8.370 nan 0.000 0.518 305 L N -1.015 120.206 121.223 -0.004 0.000 3.386 305 L HA 0.311 4.652 4.340 0.001 0.000 0.307 305 L C -0.236 176.647 176.870 0.023 0.000 1.235 305 L CA -0.305 54.543 54.840 0.013 0.000 1.056 305 L CB 0.292 42.374 42.059 0.038 0.000 1.453 305 L HN -0.164 nan 8.230 nan 0.000 0.615 306 L N 1.792 123.020 121.223 0.009 0.000 3.571 306 L HA -0.186 4.155 4.340 0.001 0.000 0.630 306 L C -0.907 176.005 176.870 0.069 0.000 1.265 306 L CA 0.299 55.150 54.840 0.018 0.000 0.998 306 L CB -1.893 40.168 42.059 0.002 0.000 1.574 306 L HN 0.279 nan 8.230 nan 0.000 0.867 307 L N -1.338 119.933 121.223 0.079 0.000 2.325 307 L HA 0.762 5.103 4.340 0.001 0.000 0.281 307 L C 0.450 177.400 176.870 0.133 0.000 1.004 307 L CA -0.792 54.134 54.840 0.144 0.000 0.823 307 L CB 1.557 43.634 42.059 0.031 0.000 1.236 307 L HN 0.147 nan 8.230 nan 0.000 0.415 308 E N 1.936 122.317 120.200 0.303 0.000 3.751 308 E HA 0.579 4.930 4.350 0.001 0.000 0.281 308 E C 0.551 177.224 176.600 0.123 0.000 1.086 308 E CA -0.717 55.814 56.400 0.219 0.000 1.579 308 E CB 0.242 30.081 29.700 0.233 0.000 1.666 308 E HN 0.735 nan 8.360 nan 0.000 0.655 309 G N -0.369 108.518 108.800 0.145 0.000 2.653 309 G HA2 0.040 4.001 3.960 0.001 0.000 0.265 309 G HA3 0.040 4.001 3.960 0.001 0.000 0.265 309 G C -0.339 174.541 174.900 -0.033 0.000 1.237 309 G CA -0.252 44.894 45.100 0.076 0.000 0.946 309 G HN 0.321 nan 8.290 nan 0.000 0.522 310 F N -1.150 118.801 119.950 0.002 0.000 2.387 310 F HA 0.120 4.648 4.527 0.001 0.000 0.294 310 F C 2.417 178.256 175.800 0.066 0.000 1.093 310 F CA 0.821 58.819 58.000 -0.004 0.000 1.420 310 F CB 0.310 39.358 39.000 0.080 0.000 1.086 310 F HN 0.387 nan 8.300 nan 0.000 0.531 311 N N -0.522 118.338 118.700 0.267 0.000 2.235 311 N HA 0.043 4.783 4.740 0.001 0.000 0.209 311 N C 1.022 176.631 175.510 0.165 0.000 1.122 311 N CA -0.097 53.073 53.050 0.201 0.000 0.845 311 N CB 0.002 38.581 38.487 0.154 0.000 1.004 311 N HN 0.321 nan 8.380 nan 0.000 0.499 312 N N -0.415 118.415 118.700 0.217 0.000 2.402 312 N HA -0.024 4.717 4.740 0.001 0.000 0.174 312 N C -0.567 175.046 175.510 0.172 0.000 1.027 312 N CA 0.531 53.694 53.050 0.190 0.000 0.891 312 N CB 0.327 38.949 38.487 0.225 0.000 1.016 312 N HN 0.106 nan 8.380 nan 0.000 0.439 313 Y N 1.033 121.303 120.300 -0.050 0.000 2.316 313 Y HA 0.139 4.690 4.550 0.001 0.000 0.331 313 Y C 1.471 177.342 175.900 -0.048 0.000 1.083 313 Y CA -0.591 57.465 58.100 -0.074 0.000 1.206 313 Y CB 0.928 39.336 38.460 -0.087 0.000 1.195 313 Y HN -0.082 nan 8.280 nan 0.000 0.497 314 T N 1.652 116.211 114.554 0.009 0.000 3.148 314 T HA -0.026 4.324 4.350 0.001 0.000 0.253 314 T C 1.246 175.981 174.700 0.059 0.000 1.134 314 T CA 0.418 62.509 62.100 -0.015 0.000 1.051 314 T CB -0.210 68.582 68.868 -0.127 0.000 0.959 314 T HN 0.392 nan 8.240 nan 0.000 0.525 315 F N 1.463 121.404 119.950 -0.014 0.000 2.615 315 F HA 0.386 4.914 4.527 0.001 0.000 0.297 315 F C 0.828 176.568 175.800 -0.099 0.000 1.124 315 F CA -0.870 57.080 58.000 -0.082 0.000 1.451 315 F CB -0.090 38.826 39.000 -0.141 0.000 1.103 315 F HN 0.135 nan 8.300 nan 0.000 0.569 316 L N 0.537 121.847 121.223 0.145 0.000 2.360 316 L HA 0.278 4.619 4.340 0.001 0.000 0.265 316 L C 0.438 177.394 176.870 0.143 0.000 1.066 316 L CA -0.326 54.564 54.840 0.084 0.000 0.929 316 L CB 0.165 42.239 42.059 0.025 0.000 1.306 316 L HN -0.178 nan 8.230 nan 0.000 0.434 317 S N 1.780 117.563 115.700 0.139 0.000 2.593 317 S HA 0.130 4.601 4.470 0.001 0.000 0.269 317 S C 0.973 175.658 174.600 0.142 0.000 1.334 317 S CA -0.395 57.881 58.200 0.128 0.000 1.015 317 S CB 0.511 63.778 63.200 0.112 0.000 0.912 317 S HN 0.736 nan 8.310 nan 0.000 0.541 318 N N 0.270 119.041 118.700 0.118 0.000 2.741 318 N HA -0.219 4.521 4.740 0.001 0.000 0.251 318 N C 0.863 176.461 175.510 0.146 0.000 1.112 318 N CA 1.169 54.287 53.050 0.113 0.000 0.750 318 N CB -1.664 36.885 38.487 0.103 0.000 1.119 318 N HN 1.045 nan 8.380 nan 0.000 0.561 319 G N 0.442 109.342 108.800 0.167 0.000 2.793 319 G HA2 -0.389 3.571 3.960 0.001 0.000 0.334 319 G HA3 -0.389 3.571 3.960 0.001 0.000 0.334 319 G C -0.329 174.771 174.900 0.334 0.000 1.186 319 G CA 1.235 46.465 45.100 0.218 0.000 0.960 319 G HN 0.851 nan 8.290 nan 0.000 0.562 320 H N 0.188 119.375 119.070 0.195 0.000 2.658 320 H HA 0.645 5.201 4.556 0.001 0.000 0.337 320 H C -1.189 174.169 175.328 0.052 0.000 1.009 320 H CA -0.197 55.967 56.048 0.193 0.000 1.231 320 H CB 1.591 31.307 29.762 -0.076 0.000 1.508 320 H HN 0.426 nan 8.280 nan 0.000 0.517 321 V N 7.960 127.615 119.914 -0.431 0.000 2.435 321 V HA 0.330 4.451 4.120 0.001 0.000 0.290 321 V C -2.137 173.591 176.094 -0.610 0.000 1.030 321 V CA -1.547 60.536 62.300 -0.361 0.000 0.881 321 V CB 1.740 33.440 31.823 -0.206 0.000 0.983 321 V HN 0.705 nan 8.190 nan 0.000 0.445 322 P HA 0.470 nan 4.420 nan 0.000 0.296 322 P C -0.784 176.415 177.300 -0.167 0.000 1.306 322 P CA -0.484 62.512 63.100 -0.174 0.000 0.818 322 P CB 1.634 33.332 31.700 -0.003 0.000 0.969 323 I N 5.079 125.538 120.570 -0.184 0.000 2.321 323 I HA 0.357 4.528 4.170 0.001 0.000 0.291 323 I C -2.242 173.820 176.117 -0.091 0.000 0.998 323 I CA -3.151 58.061 61.300 -0.147 0.000 1.227 323 I CB 1.478 39.358 38.000 -0.201 0.000 1.368 323 I HN 0.177 nan 8.210 nan 0.000 0.466 324 P HA -0.018 nan 4.420 nan 0.000 0.265 324 P C 0.199 177.482 177.300 -0.029 0.000 1.187 324 P CA 0.505 63.581 63.100 -0.040 0.000 0.766 324 P CB 0.686 32.366 31.700 -0.033 0.000 0.820 325 A N 1.010 123.816 122.820 -0.023 0.000 2.798 325 A HA -0.252 4.069 4.320 0.001 0.000 0.282 325 A C 0.355 177.926 177.584 -0.022 0.000 1.464 325 A CA 1.473 53.501 52.037 -0.014 0.000 0.844 325 A CB -2.543 16.458 19.000 0.002 0.000 1.006 325 A HN 0.707 nan 8.150 nan 0.000 0.577 326 Q N -1.292 118.482 119.800 -0.043 0.000 2.289 326 Q HA 0.587 4.927 4.340 0.001 0.000 0.270 326 Q C -0.836 175.109 176.000 -0.091 0.000 1.038 326 Q CA -0.463 55.300 55.803 -0.067 0.000 0.812 326 Q CB 1.373 30.065 28.738 -0.076 0.000 1.300 326 Q HN 0.571 nan 8.270 nan 0.000 0.427 327 Q N 3.782 123.519 119.800 -0.106 0.000 2.523 327 Q HA 0.177 4.517 4.340 0.001 0.000 0.251 327 Q C -0.410 175.484 176.000 -0.177 0.000 1.033 327 Q CA -0.241 55.500 55.803 -0.103 0.000 0.746 327 Q CB 0.830 29.533 28.738 -0.058 0.000 1.189 327 Q HN 0.688 nan 8.270 nan 0.000 0.508 328 D N 2.821 123.079 120.400 -0.238 0.000 2.322 328 D HA -0.208 4.432 4.640 0.001 0.000 0.210 328 D C 0.087 176.280 176.300 -0.178 0.000 0.983 328 D CA 1.352 55.095 54.000 -0.429 0.000 0.902 328 D CB 0.376 41.108 40.800 -0.112 0.000 0.905 328 D HN 0.648 nan 8.370 nan 0.000 0.483 329 D N 1.095 121.463 120.400 -0.053 0.000 2.084 329 D HA -0.160 4.481 4.640 0.001 0.000 0.194 329 D C 2.181 178.515 176.300 0.057 0.000 0.990 329 D CA 1.191 55.207 54.000 0.027 0.000 0.826 329 D CB -0.281 40.531 40.800 0.020 0.000 0.971 329 D HN 0.557 nan 8.370 nan 0.000 0.453 330 E N -0.092 120.107 120.200 -0.001 0.000 2.250 330 E HA -0.040 4.311 4.350 0.001 0.000 0.192 330 E C 1.741 178.330 176.600 -0.019 0.000 0.986 330 E CA 0.252 56.658 56.400 0.010 0.000 0.849 330 E CB -0.154 29.542 29.700 -0.008 0.000 0.797 330 E HN 0.061 nan 8.360 nan 0.000 0.482 331 M N 0.756 120.273 119.600 -0.138 0.000 2.149 331 M HA -0.091 4.389 4.480 0.001 0.000 0.261 331 M C 2.011 178.268 176.300 -0.072 0.000 1.064 331 M CA 1.176 56.313 55.300 -0.272 0.000 1.102 331 M CB -0.981 31.103 32.600 -0.861 0.000 1.369 331 M HN 0.174 nan 8.290 nan 0.000 0.408 332 F N 1.165 121.032 119.950 -0.139 0.000 2.069 332 F HA -0.281 4.247 4.527 0.001 0.000 0.298 332 F C 2.533 178.391 175.800 0.098 0.000 1.113 332 F CA 2.058 60.130 58.000 0.121 0.000 1.214 332 F CB -0.716 38.359 39.000 0.125 0.000 0.978 332 F HN 0.151 nan 8.300 nan 0.000 0.474 333 Q N 0.883 120.720 119.800 0.062 0.000 2.112 333 Q HA -0.263 4.077 4.340 0.001 0.000 0.206 333 Q C 2.285 178.240 176.000 -0.076 0.000 0.987 333 Q CA 2.276 58.055 55.803 -0.041 0.000 0.858 333 Q CB -0.648 28.114 28.738 0.041 0.000 0.905 333 Q HN 0.696 nan 8.270 nan 0.000 0.420 334 E N -1.197 118.985 120.200 -0.029 0.000 2.031 334 E HA -0.188 4.163 4.350 0.001 0.000 0.193 334 E C 1.663 178.238 176.600 -0.041 0.000 0.994 334 E CA 2.024 58.411 56.400 -0.021 0.000 0.800 334 E CB -0.155 29.549 29.700 0.006 0.000 0.752 334 E HN 0.579 nan 8.360 nan 0.000 0.447 335 T N 0.079 114.620 114.554 -0.022 0.000 2.867 335 T HA -0.092 4.259 4.350 0.001 0.000 0.268 335 T C 2.078 176.685 174.700 -0.155 0.000 1.057 335 T CA 0.671 62.740 62.100 -0.051 0.000 1.136 335 T CB -0.186 68.717 68.868 0.058 0.000 0.874 335 T HN 0.081 nan 8.240 nan 0.000 0.466 336 L N 1.279 122.357 121.223 -0.242 0.000 2.056 336 L HA -0.037 4.303 4.340 0.001 0.000 0.207 336 L C 2.836 179.615 176.870 -0.150 0.000 1.078 336 L CA 1.887 56.569 54.840 -0.263 0.000 0.749 336 L CB -0.913 40.917 42.059 -0.381 0.000 0.901 336 L HN 0.483 nan 8.230 nan 0.000 0.433 337 E N -0.058 120.070 120.200 -0.119 0.000 2.110 337 E HA -0.200 4.151 4.350 0.001 0.000 0.193 337 E C 2.200 178.746 176.600 -0.090 0.000 0.988 337 E CA 1.168 57.521 56.400 -0.078 0.000 0.804 337 E CB -0.047 29.622 29.700 -0.052 0.000 0.745 337 E HN 0.475 nan 8.360 nan 0.000 0.458 338 A N 1.841 124.592 122.820 -0.115 0.000 1.877 338 A HA -0.202 4.119 4.320 0.001 0.000 0.216 338 A C 2.274 179.725 177.584 -0.223 0.000 1.186 338 A CA 1.504 53.455 52.037 -0.144 0.000 0.620 338 A CB -0.517 18.396 19.000 -0.145 0.000 0.822 338 A HN 0.121 nan 8.150 nan 0.000 0.443 339 M N 0.078 119.508 119.600 -0.283 0.000 2.080 339 M HA -0.178 4.303 4.480 0.001 0.000 0.260 339 M C 2.471 178.620 176.300 -0.251 0.000 1.068 339 M CA 2.293 57.305 55.300 -0.480 0.000 1.109 339 M CB -1.478 30.959 32.600 -0.272 0.000 1.342 339 M HN 0.723 nan 8.290 nan 0.000 0.405 340 T N 0.399 114.897 114.554 -0.094 0.000 2.652 340 T HA -0.142 4.209 4.350 0.001 0.000 0.267 340 T C 1.787 176.475 174.700 -0.019 0.000 1.039 340 T CA 1.468 63.561 62.100 -0.012 0.000 1.153 340 T CB -0.812 68.049 68.868 -0.011 0.000 0.863 340 T HN 0.210 nan 8.240 nan 0.000 0.428 341 I N 1.335 121.873 120.570 -0.053 0.000 2.185 341 I HA -0.180 3.991 4.170 0.001 0.000 0.246 341 I C 2.576 178.673 176.117 -0.033 0.000 1.088 341 I CA 1.474 62.749 61.300 -0.040 0.000 1.347 341 I CB -1.522 36.441 38.000 -0.061 0.000 1.041 341 I HN 0.325 nan 8.210 nan 0.000 0.415 342 M N 0.177 119.735 119.600 -0.070 0.000 2.816 342 M HA -0.015 4.465 4.480 0.001 0.000 0.271 342 M C 1.713 178.057 176.300 0.074 0.000 1.193 342 M CA 2.230 57.511 55.300 -0.032 0.000 1.060 342 M CB -1.165 31.342 32.600 -0.154 0.000 1.076 342 M HN 0.342 nan 8.290 nan 0.000 0.539 343 G N -1.678 107.252 108.800 0.217 0.000 3.934 343 G HA2 0.176 4.136 3.960 0.001 0.000 0.212 343 G HA3 0.176 4.136 3.960 0.001 0.000 0.212 343 G C -0.584 174.535 174.900 0.364 0.000 1.126 343 G CA -0.373 44.871 45.100 0.241 0.000 0.877 343 G HN 0.214 nan 8.290 nan 0.000 0.556 344 F N 4.082 124.069 119.950 0.063 0.000 2.552 344 F HA 0.258 4.786 4.527 0.001 0.000 0.342 344 F C 1.450 177.283 175.800 0.055 0.000 1.257 344 F CA -0.647 57.411 58.000 0.096 0.000 1.058 344 F CB -1.105 37.965 39.000 0.116 0.000 1.288 344 F HN -0.156 nan 8.300 nan 0.000 0.627 345 T N 2.650 117.312 114.554 0.181 0.000 2.709 345 T HA -0.093 4.257 4.350 0.001 0.000 0.345 345 T C 1.657 176.408 174.700 0.084 0.000 1.086 345 T CA -0.180 61.981 62.100 0.102 0.000 1.084 345 T CB 0.675 69.579 68.868 0.060 0.000 1.000 345 T HN 0.605 nan 8.240 nan 0.000 0.549 346 E N 2.061 122.293 120.200 0.053 0.000 2.049 346 E HA -0.302 4.048 4.350 0.001 0.000 0.198 346 E C 1.763 178.372 176.600 0.015 0.000 1.007 346 E CA 2.089 58.511 56.400 0.037 0.000 0.809 346 E CB -0.580 29.136 29.700 0.027 0.000 0.749 346 E HN 0.932 nan 8.360 nan 0.000 0.450 347 E N 1.526 121.723 120.200 -0.004 0.000 2.047 347 E HA -0.121 4.230 4.350 0.001 0.000 0.191 347 E C 2.122 178.655 176.600 -0.112 0.000 0.987 347 E CA 0.994 57.365 56.400 -0.047 0.000 0.799 347 E CB -0.420 29.257 29.700 -0.038 0.000 0.752 347 E HN 0.286 nan 8.360 nan 0.000 0.449 348 E N 0.667 120.821 120.200 -0.077 0.000 2.284 348 E HA -0.273 4.078 4.350 0.001 0.000 0.200 348 E C 2.079 178.570 176.600 -0.183 0.000 1.008 348 E CA 1.527 57.853 56.400 -0.124 0.000 0.829 348 E CB -0.076 29.627 29.700 0.005 0.000 0.744 348 E HN 0.495 nan 8.360 nan 0.000 0.491 349 Q N -0.767 119.002 119.800 -0.051 0.000 2.178 349 Q HA -0.050 4.291 4.340 0.001 0.000 0.195 349 Q C 2.342 178.299 176.000 -0.072 0.000 0.960 349 Q CA 1.490 57.307 55.803 0.023 0.000 0.843 349 Q CB 0.053 28.854 28.738 0.106 0.000 0.927 349 Q HN 0.273 nan 8.270 nan 0.000 0.487 350 T N 0.135 114.648 114.554 -0.069 0.000 2.737 350 T HA -0.152 4.199 4.350 0.001 0.000 0.269 350 T C 2.082 176.683 174.700 -0.165 0.000 1.040 350 T CA 1.515 63.580 62.100 -0.058 0.000 1.142 350 T CB -0.363 68.484 68.868 -0.036 0.000 0.861 350 T HN 0.039 nan 8.240 nan 0.000 0.456 351 S N 1.723 117.204 115.700 -0.365 0.000 2.383 351 S HA -0.004 4.467 4.470 0.001 0.000 0.229 351 S C 2.061 176.217 174.600 -0.740 0.000 1.030 351 S CA 1.323 59.135 58.200 -0.647 0.000 1.002 351 S CB -0.520 61.998 63.200 -1.136 0.000 0.829 351 S HN 0.627 nan 8.310 nan 0.000 0.467 352 I N 0.890 121.040 120.570 -0.700 0.000 2.353 352 I HA -0.091 4.080 4.170 0.001 0.000 0.248 352 I C 2.066 178.155 176.117 -0.047 0.000 1.119 352 I CA 0.865 61.991 61.300 -0.290 0.000 1.417 352 I CB -0.684 37.190 38.000 -0.210 0.000 1.078 352 I HN 0.194 nan 8.210 nan 0.000 0.421 353 L N 1.647 122.866 121.223 -0.007 0.000 1.989 353 L HA -0.224 4.117 4.340 0.001 0.000 0.211 353 L C 3.072 179.995 176.870 0.089 0.000 1.071 353 L CA 2.042 56.946 54.840 0.107 0.000 0.749 353 L CB -0.743 41.405 42.059 0.149 0.000 0.890 353 L HN 0.372 nan 8.230 nan 0.000 0.431 354 R N -0.077 120.450 120.500 0.044 0.000 2.117 354 R HA -0.146 4.195 4.340 0.001 0.000 0.243 354 R C 1.977 178.330 176.300 0.088 0.000 1.143 354 R CA 1.719 57.853 56.100 0.057 0.000 0.968 354 R CB -1.260 29.059 30.300 0.032 0.000 0.863 354 R HN 0.123 nan 8.270 nan 0.000 0.444 355 V N 1.453 121.423 119.914 0.094 0.000 2.332 355 V HA -0.246 3.875 4.120 0.001 0.000 0.248 355 V C 2.555 178.731 176.094 0.136 0.000 1.055 355 V CA 1.845 64.216 62.300 0.118 0.000 1.038 355 V CB -0.304 31.592 31.823 0.123 0.000 0.651 355 V HN 0.246 nan 8.190 nan 0.000 0.450 356 V N 0.992 120.994 119.914 0.147 0.000 2.295 356 V HA -0.252 3.869 4.120 0.001 0.000 0.246 356 V C 2.687 178.921 176.094 0.233 0.000 1.049 356 V CA 2.418 64.857 62.300 0.231 0.000 1.024 356 V CB -0.867 31.095 31.823 0.232 0.000 0.648 356 V HN 0.786 nan 8.190 nan 0.000 0.447 357 S N 0.420 116.226 115.700 0.175 0.000 2.402 357 S HA -0.201 4.269 4.470 0.001 0.000 0.229 357 S C 2.160 176.867 174.600 0.177 0.000 1.021 357 S CA 1.584 59.889 58.200 0.175 0.000 0.974 357 S CB -0.651 62.625 63.200 0.127 0.000 0.800 357 S HN 0.691 nan 8.310 nan 0.000 0.484 358 S N 1.435 117.220 115.700 0.143 0.000 2.368 358 S HA -0.033 4.438 4.470 0.001 0.000 0.224 358 S C 1.862 176.551 174.600 0.149 0.000 1.029 358 S CA 1.053 59.327 58.200 0.123 0.000 0.988 358 S CB -0.855 62.408 63.200 0.105 0.000 0.838 358 S HN 0.357 nan 8.310 nan 0.000 0.462 359 V N 1.850 121.867 119.914 0.172 0.000 2.427 359 V HA -0.068 4.053 4.120 0.001 0.000 0.248 359 V C 2.545 178.812 176.094 0.288 0.000 1.051 359 V CA 1.760 64.172 62.300 0.188 0.000 1.048 359 V CB -0.748 31.159 31.823 0.140 0.000 0.666 359 V HN 0.482 nan 8.190 nan 0.000 0.456 360 L N -0.797 120.578 121.223 0.252 0.000 2.093 360 L HA -0.199 4.142 4.340 0.001 0.000 0.208 360 L C 2.670 179.744 176.870 0.340 0.000 1.085 360 L CA 1.481 56.579 54.840 0.430 0.000 0.755 360 L CB -0.585 41.737 42.059 0.438 0.000 0.904 360 L HN 0.342 nan 8.230 nan 0.000 0.435 361 Q N 0.051 119.926 119.800 0.125 0.000 2.020 361 Q HA -0.186 4.155 4.340 0.001 0.000 0.202 361 Q C 2.398 178.325 176.000 -0.122 0.000 0.982 361 Q CA 1.385 57.128 55.803 -0.101 0.000 0.838 361 Q CB -0.266 28.449 28.738 -0.038 0.000 0.899 361 Q HN 0.517 nan 8.270 nan 0.000 0.423 362 L N 0.054 121.294 121.223 0.029 0.000 2.369 362 L HA -0.214 4.127 4.340 0.001 0.000 0.220 362 L C 2.162 178.859 176.870 -0.289 0.000 1.119 362 L CA 1.020 55.869 54.840 0.016 0.000 0.780 362 L CB -0.741 41.440 42.059 0.204 0.000 0.906 362 L HN 0.338 nan 8.230 nan 0.000 0.442 363 G N -0.226 108.148 108.800 -0.710 0.000 2.484 363 G HA2 -0.181 3.780 3.960 0.001 0.000 0.218 363 G HA3 -0.181 3.780 3.960 0.001 0.000 0.218 363 G C 1.284 175.713 174.900 -0.785 0.000 1.130 363 G CA 0.315 44.453 45.100 -1.603 0.000 0.784 363 G HN 0.436 nan 8.290 nan 0.000 0.543 364 N N 0.405 118.797 118.700 -0.514 0.000 2.422 364 N HA 0.057 4.798 4.740 0.001 0.000 0.181 364 N C 0.714 176.020 175.510 -0.340 0.000 1.080 364 N CA -0.029 52.794 53.050 -0.379 0.000 0.893 364 N CB 0.467 38.752 38.487 -0.336 0.000 0.973 364 N HN 0.258 nan 8.380 nan 0.000 0.456 365 I N 2.328 122.683 120.570 -0.360 0.000 2.460 365 I HA 0.014 4.185 4.170 0.001 0.000 0.297 365 I C -0.434 175.273 176.117 -0.683 0.000 1.139 365 I CA 0.061 61.116 61.300 -0.408 0.000 1.340 365 I CB 0.025 37.852 38.000 -0.289 0.000 1.444 365 I HN -0.277 nan 8.210 nan 0.000 0.557 366 V N 7.236 126.785 119.914 -0.608 0.000 2.581 366 V HA 0.441 4.562 4.120 0.001 0.000 0.303 366 V C -0.208 175.543 176.094 -0.570 0.000 1.041 366 V CA -0.629 61.304 62.300 -0.612 0.000 0.907 366 V CB 1.852 33.497 31.823 -0.298 0.000 0.994 366 V HN 0.262 nan 8.190 nan 0.000 0.442 367 F N 2.003 121.926 119.950 -0.044 0.000 2.458 367 F HA 0.548 5.076 4.527 0.001 0.000 0.330 367 F C 0.638 176.420 175.800 -0.030 0.000 1.082 367 F CA -1.229 56.747 58.000 -0.040 0.000 0.995 367 F CB 1.314 40.294 39.000 -0.034 0.000 1.170 367 F HN 0.238 nan 8.300 nan 0.000 0.478 368 K N 1.973 122.480 120.400 0.179 0.000 2.290 368 K HA 0.129 4.450 4.320 0.001 0.000 0.250 368 K C -0.329 176.312 176.600 0.068 0.000 1.092 368 K CA -0.667 55.671 56.287 0.085 0.000 1.006 368 K CB 0.848 33.378 32.500 0.049 0.000 1.549 368 K HN 0.561 nan 8.250 nan 0.000 0.436 369 K N 3.064 123.505 120.400 0.068 0.000 2.320 369 K HA -0.098 4.222 4.320 0.001 0.000 0.269 369 K C -0.337 176.273 176.600 0.017 0.000 1.182 369 K CA 0.422 56.731 56.287 0.037 0.000 1.190 369 K CB 0.089 32.611 32.500 0.037 0.000 0.850 369 K HN 0.338 nan 8.250 nan 0.000 0.467 370 E N 3.593 123.795 120.200 0.003 0.000 2.558 370 E HA -0.117 4.234 4.350 0.001 0.000 0.255 370 E C 0.515 177.113 176.600 -0.004 0.000 0.968 370 E CA 0.242 56.640 56.400 -0.004 0.000 0.939 370 E CB 0.576 30.267 29.700 -0.015 0.000 0.921 370 E HN 0.585 nan 8.360 nan 0.000 0.477 371 R N 2.740 123.239 120.500 -0.002 0.000 2.090 371 R HA -0.099 4.242 4.340 0.001 0.000 0.228 371 R C 1.748 178.044 176.300 -0.005 0.000 1.110 371 R CA 1.198 57.297 56.100 -0.002 0.000 0.973 371 R CB -0.061 30.239 30.300 -0.000 0.000 0.869 371 R HN 0.552 nan 8.270 nan 0.000 0.440 372 N N 0.093 118.788 118.700 -0.008 0.000 2.058 372 N HA -0.110 4.631 4.740 0.001 0.000 0.191 372 N C 1.074 176.576 175.510 -0.013 0.000 1.037 372 N CA 1.943 54.987 53.050 -0.010 0.000 0.848 372 N CB -0.192 38.289 38.487 -0.011 0.000 1.021 372 N HN 0.219 nan 8.380 nan 0.000 0.422 373 T N -1.171 113.373 114.554 -0.017 0.000 3.010 373 T HA 0.154 4.505 4.350 0.001 0.000 0.257 373 T C -0.296 174.390 174.700 -0.024 0.000 1.020 373 T CA -0.140 61.947 62.100 -0.021 0.000 0.938 373 T CB 0.593 69.445 68.868 -0.027 0.000 1.049 373 T HN 0.015 nan 8.240 nan 0.000 0.522 374 D N 0.725 121.113 120.400 -0.020 0.000 2.911 374 D HA -0.137 4.503 4.640 0.001 0.000 0.199 374 D C 0.003 176.285 176.300 -0.031 0.000 1.041 374 D CA 0.965 54.953 54.000 -0.020 0.000 1.013 374 D CB -1.363 39.426 40.800 -0.019 0.000 1.093 374 D HN 0.504 nan 8.370 nan 0.000 0.431 375 Q N 0.319 120.093 119.800 -0.043 0.000 2.274 375 Q HA 0.651 4.992 4.340 0.001 0.000 0.256 375 Q C 0.508 176.463 176.000 -0.076 0.000 0.927 375 Q CA -0.063 55.698 55.803 -0.069 0.000 0.939 375 Q CB 1.462 30.155 28.738 -0.074 0.000 1.201 375 Q HN 0.323 nan 8.270 nan 0.000 0.426 376 A N 2.476 125.225 122.820 -0.118 0.000 2.567 376 A HA 0.209 4.529 4.320 0.001 0.000 0.236 376 A C 0.143 177.669 177.584 -0.097 0.000 1.088 376 A CA 0.432 52.398 52.037 -0.118 0.000 0.776 376 A CB 0.162 18.938 19.000 -0.373 0.000 1.033 376 A HN 0.764 nan 8.150 nan 0.000 0.513 377 S N -0.233 115.470 115.700 0.006 0.000 2.546 377 S HA 0.600 5.071 4.470 0.001 0.000 0.274 377 S C -0.670 173.997 174.600 0.111 0.000 1.121 377 S CA -0.567 57.646 58.200 0.021 0.000 0.887 377 S CB 1.444 64.654 63.200 0.017 0.000 1.094 377 S HN 0.992 nan 8.310 nan 0.000 0.474 378 M N 3.570 123.208 119.600 0.063 0.000 2.741 378 M HA 0.459 4.939 4.480 0.001 0.000 0.283 378 M C -2.183 174.131 176.300 0.023 0.000 1.176 378 M CA -2.182 53.163 55.300 0.075 0.000 1.139 378 M CB 0.509 33.135 32.600 0.043 0.000 1.234 378 M HN 0.511 nan 8.290 nan 0.000 0.497 379 P HA -0.104 nan 4.420 nan 0.000 0.208 379 P C -0.196 177.099 177.300 -0.008 0.000 1.195 379 P CA 1.194 64.295 63.100 0.001 0.000 0.927 379 P CB -0.047 31.652 31.700 -0.001 0.000 0.778 380 D N -0.398 119.993 120.400 -0.015 0.000 2.411 380 D HA 0.060 4.701 4.640 0.001 0.000 0.225 380 D C 0.760 177.044 176.300 -0.026 0.000 1.156 380 D CA -0.145 53.842 54.000 -0.023 0.000 0.874 380 D CB -0.721 40.060 40.800 -0.032 0.000 1.034 380 D HN -0.053 nan 8.370 nan 0.000 0.502 381 N N 2.123 120.811 118.700 -0.019 0.000 2.550 381 N HA -0.103 4.638 4.740 0.001 0.000 0.186 381 N C 1.134 176.634 175.510 -0.017 0.000 1.110 381 N CA 0.310 53.349 53.050 -0.018 0.000 0.912 381 N CB 0.342 38.821 38.487 -0.014 0.000 0.968 381 N HN 0.428 nan 8.380 nan 0.000 0.448 382 T N 1.601 116.142 114.554 -0.023 0.000 2.635 382 T HA -0.298 4.053 4.350 0.001 0.000 0.265 382 T C 1.998 176.681 174.700 -0.029 0.000 1.058 382 T CA 1.892 63.978 62.100 -0.024 0.000 1.162 382 T CB -0.326 68.520 68.868 -0.036 0.000 0.859 382 T HN 0.413 nan 8.240 nan 0.000 0.449 383 A N 1.501 124.290 122.820 -0.052 0.000 1.842 383 A HA 0.004 4.325 4.320 0.001 0.000 0.217 383 A C 2.708 180.283 177.584 -0.016 0.000 1.206 383 A CA 2.615 54.611 52.037 -0.068 0.000 0.630 383 A CB -1.495 17.438 19.000 -0.111 0.000 0.839 383 A HN 0.597 nan 8.150 nan 0.000 0.447 384 A N -0.812 122.011 122.820 0.005 0.000 1.917 384 A HA -0.287 4.033 4.320 0.001 0.000 0.219 384 A C 2.103 179.753 177.584 0.110 0.000 1.182 384 A CA 2.059 54.141 52.037 0.076 0.000 0.633 384 A CB -0.833 18.170 19.000 0.005 0.000 0.819 384 A HN 0.720 nan 8.150 nan 0.000 0.448 385 Q N -0.638 119.199 119.800 0.063 0.000 2.112 385 Q HA -0.192 4.149 4.340 0.001 0.000 0.206 385 Q C 2.008 178.068 176.000 0.099 0.000 0.987 385 Q CA 1.838 57.686 55.803 0.074 0.000 0.858 385 Q CB -0.226 28.539 28.738 0.046 0.000 0.905 385 Q HN 0.635 nan 8.270 nan 0.000 0.420 386 K N -0.130 120.312 120.400 0.070 0.000 2.366 386 K HA -0.004 4.317 4.320 0.001 0.000 0.198 386 K C 1.629 178.277 176.600 0.081 0.000 1.044 386 K CA 0.315 56.640 56.287 0.062 0.000 0.973 386 K CB 0.382 32.886 32.500 0.007 0.000 0.767 386 K HN 0.017 nan 8.250 nan 0.000 0.475 387 V N -0.357 119.617 119.914 0.100 0.000 2.825 387 V HA -0.170 3.951 4.120 0.001 0.000 0.246 387 V C 1.880 178.034 176.094 0.100 0.000 1.068 387 V CA 0.932 63.295 62.300 0.104 0.000 1.088 387 V CB 0.250 32.154 31.823 0.135 0.000 0.733 387 V HN 0.410 nan 8.190 nan 0.000 0.468 388 C N -0.680 118.700 119.300 0.135 0.000 2.446 388 C HA -0.131 4.330 4.460 0.001 0.000 0.277 388 C C 2.605 177.642 174.990 0.079 0.000 1.275 388 C CA 0.824 59.897 59.018 0.091 0.000 1.727 388 C CB -1.203 26.620 27.740 0.139 0.000 2.010 388 C HN 0.648 nan 8.230 nan 0.000 0.486 389 H N 0.387 119.477 119.070 0.034 0.000 2.560 389 H HA 0.060 4.616 4.556 0.001 0.000 0.283 389 H C 1.694 177.036 175.328 0.023 0.000 1.028 389 H CA 0.995 57.058 56.048 0.025 0.000 1.221 389 H CB -0.027 29.750 29.762 0.025 0.000 1.363 389 H HN 0.487 nan 8.280 nan 0.000 0.594 390 L N -1.414 119.912 121.223 0.173 0.000 2.609 390 L HA 0.065 4.406 4.340 0.001 0.000 0.230 390 L C 1.964 178.886 176.870 0.086 0.000 1.087 390 L CA 0.135 55.045 54.840 0.118 0.000 0.874 390 L CB 0.129 42.243 42.059 0.092 0.000 1.114 390 L HN 0.143 nan 8.230 nan 0.000 0.488 391 M N -0.810 118.818 119.600 0.046 0.000 2.545 391 M HA 0.194 4.675 4.480 0.001 0.000 0.264 391 M C 1.374 177.671 176.300 -0.005 0.000 1.155 391 M CA 1.067 56.364 55.300 -0.005 0.000 1.162 391 M CB 0.521 33.055 32.600 -0.110 0.000 1.330 391 M HN 0.245 nan 8.290 nan 0.000 0.479 392 G N 1.083 109.881 108.800 -0.003 0.000 2.157 392 G HA2 -0.206 3.755 3.960 0.001 0.000 0.239 392 G HA3 -0.206 3.755 3.960 0.001 0.000 0.239 392 G C 0.123 174.994 174.900 -0.049 0.000 0.982 392 G CA 0.306 45.395 45.100 -0.017 0.000 0.650 392 G HN 0.500 nan 8.290 nan 0.000 0.527 393 I N -1.379 119.151 120.570 -0.067 0.000 3.078 393 I HA 0.605 4.776 4.170 0.001 0.000 0.318 393 I C 0.441 176.537 176.117 -0.035 0.000 1.016 393 I CA -1.864 59.394 61.300 -0.071 0.000 1.130 393 I CB 0.620 38.541 38.000 -0.131 0.000 1.397 393 I HN 0.069 nan 8.210 nan 0.000 0.570 394 N N 1.491 120.185 118.700 -0.009 0.000 2.514 394 N HA 0.132 4.873 4.740 0.001 0.000 0.277 394 N C 0.923 176.476 175.510 0.071 0.000 1.126 394 N CA -0.209 52.847 53.050 0.011 0.000 0.978 394 N CB 1.648 40.138 38.487 0.005 0.000 1.106 394 N HN 0.703 nan 8.380 nan 0.000 0.461 395 V N 2.503 122.450 119.914 0.054 0.000 2.231 395 V HA -0.262 3.859 4.120 0.001 0.000 0.239 395 V C 2.627 178.754 176.094 0.055 0.000 1.035 395 V CA 2.544 64.891 62.300 0.077 0.000 0.989 395 V CB -2.064 29.779 31.823 0.034 0.000 0.636 395 V HN 0.881 nan 8.190 nan 0.000 0.457 396 T N -1.423 113.140 114.554 0.015 0.000 2.649 396 T HA -0.402 3.949 4.350 0.001 0.000 0.268 396 T C 1.747 176.443 174.700 -0.006 0.000 1.036 396 T CA 2.521 64.615 62.100 -0.009 0.000 1.157 396 T CB -1.044 67.818 68.868 -0.011 0.000 0.861 396 T HN 0.631 nan 8.240 nan 0.000 0.445 397 D N 0.062 120.476 120.400 0.024 0.000 2.087 397 D HA -0.071 4.569 4.640 0.001 0.000 0.192 397 D C 1.775 178.124 176.300 0.082 0.000 0.993 397 D CA 1.547 55.569 54.000 0.036 0.000 0.828 397 D CB -0.427 40.395 40.800 0.037 0.000 0.968 397 D HN 0.477 nan 8.370 nan 0.000 0.448 398 F N 2.152 122.076 119.950 -0.042 0.000 2.171 398 F HA -0.170 4.358 4.527 0.001 0.000 0.300 398 F C 2.269 178.054 175.800 -0.025 0.000 1.090 398 F CA 1.394 59.369 58.000 -0.042 0.000 1.293 398 F CB -0.901 38.076 39.000 -0.039 0.000 1.013 398 F HN -0.140 nan 8.300 nan 0.000 0.486 399 T N 1.177 115.545 114.554 -0.310 0.000 2.708 399 T HA -0.211 4.140 4.350 0.001 0.000 0.266 399 T C 2.232 176.767 174.700 -0.275 0.000 1.037 399 T CA 1.623 63.477 62.100 -0.410 0.000 1.146 399 T CB -0.396 68.350 68.868 -0.204 0.000 0.865 399 T HN 0.244 nan 8.240 nan 0.000 0.435 400 R N 1.045 121.455 120.500 -0.150 0.000 2.090 400 R HA -0.039 4.301 4.340 0.001 0.000 0.228 400 R C 2.524 178.767 176.300 -0.095 0.000 1.110 400 R CA 1.448 57.482 56.100 -0.110 0.000 0.973 400 R CB -0.408 29.853 30.300 -0.066 0.000 0.869 400 R HN 0.387 nan 8.270 nan 0.000 0.440 401 S N 1.174 116.843 115.700 -0.053 0.000 2.356 401 S HA -0.165 4.306 4.470 0.001 0.000 0.223 401 S C 1.905 176.497 174.600 -0.013 0.000 1.032 401 S CA 1.232 59.430 58.200 -0.004 0.000 1.005 401 S CB -0.300 62.944 63.200 0.074 0.000 0.867 401 S HN 0.282 nan 8.310 nan 0.000 0.449 402 I N 0.884 121.427 120.570 -0.045 0.000 2.546 402 I HA 0.013 4.183 4.170 0.001 0.000 0.255 402 I C 1.779 177.795 176.117 -0.169 0.000 1.163 402 I CA 0.795 62.068 61.300 -0.046 0.000 1.457 402 I CB -0.069 37.874 38.000 -0.095 0.000 1.092 402 I HN 0.214 nan 8.210 nan 0.000 0.434 403 L N -0.676 120.409 121.223 -0.231 0.000 2.051 403 L HA 0.012 4.353 4.340 0.001 0.000 0.202 403 L C 1.033 177.793 176.870 -0.184 0.000 1.097 403 L CA 1.168 55.842 54.840 -0.277 0.000 0.762 403 L CB -0.586 41.320 42.059 -0.256 0.000 0.913 403 L HN 0.237 nan 8.230 nan 0.000 0.447 404 T N -0.757 113.718 114.554 -0.132 0.000 3.145 404 T HA 0.347 4.698 4.350 0.001 0.000 0.348 404 T C -2.588 172.073 174.700 -0.065 0.000 1.299 404 T CA -2.206 59.839 62.100 -0.092 0.000 1.037 404 T CB 0.400 69.221 68.868 -0.079 0.000 1.122 404 T HN -0.114 nan 8.240 nan 0.000 0.600 405 P HA 0.143 nan 4.420 nan 0.000 0.261 405 P C 0.052 177.335 177.300 -0.028 0.000 1.203 405 P CA -0.170 62.910 63.100 -0.033 0.000 0.767 405 P CB 0.318 32.003 31.700 -0.025 0.000 0.785 406 R N 4.133 124.619 120.500 -0.022 0.000 4.464 406 R HA 0.138 4.479 4.340 0.001 0.000 0.229 406 R C 0.340 176.631 176.300 -0.015 0.000 1.916 406 R CA -0.443 55.645 56.100 -0.020 0.000 1.601 406 R CB -1.450 28.839 30.300 -0.018 0.000 1.315 406 R HN 0.324 nan 8.270 nan 0.000 0.725 407 I N 0.805 121.366 120.570 -0.014 0.000 3.224 407 I HA -0.251 3.920 4.170 0.001 0.000 0.306 407 I C 0.634 176.746 176.117 -0.008 0.000 1.231 407 I CA 1.371 62.665 61.300 -0.009 0.000 1.421 407 I CB 0.271 38.265 38.000 -0.010 0.000 1.315 407 I HN 0.230 nan 8.210 nan 0.000 0.581 408 K N 3.003 123.401 120.400 -0.004 0.000 2.756 408 K HA 0.311 4.632 4.320 0.001 0.000 0.218 408 K C -0.283 176.317 176.600 0.000 0.000 1.057 408 K CA -0.269 56.016 56.287 -0.004 0.000 1.056 408 K CB 1.153 33.651 32.500 -0.004 0.000 1.235 408 K HN 0.400 nan 8.250 nan 0.000 0.547 409 V N 1.519 121.432 119.914 -0.001 0.000 3.590 409 V HA -0.035 4.086 4.120 0.001 0.000 0.272 409 V C 1.585 177.681 176.094 0.004 0.000 1.233 409 V CA 1.326 63.628 62.300 0.003 0.000 1.182 409 V CB -0.932 30.891 31.823 0.000 0.000 0.901 409 V HN 1.092 nan 8.190 nan 0.000 0.485 410 G N 2.254 111.055 108.800 0.001 0.000 4.236 410 G HA2 -0.443 3.518 3.960 0.001 0.000 0.222 410 G HA3 -0.443 3.518 3.960 0.001 0.000 0.222 410 G C 1.251 176.151 174.900 -0.002 0.000 1.354 410 G CA 0.581 45.681 45.100 0.000 0.000 0.966 410 G HN 0.604 nan 8.290 nan 0.000 0.624 411 R N 2.334 122.834 120.500 -0.001 0.000 2.357 411 R HA 0.243 4.583 4.340 0.001 0.000 0.202 411 R C 0.582 176.879 176.300 -0.004 0.000 1.047 411 R CA 1.810 57.908 56.100 -0.002 0.000 1.034 411 R CB -0.508 29.791 30.300 -0.002 0.000 0.875 411 R HN 0.693 nan 8.270 nan 0.000 0.473 412 D N -2.077 118.320 120.400 -0.005 0.000 2.992 412 D HA 0.170 4.811 4.640 0.001 0.000 0.349 412 D C -0.805 175.491 176.300 -0.007 0.000 1.393 412 D CA -0.862 53.135 54.000 -0.006 0.000 0.887 412 D CB 0.948 41.743 40.800 -0.007 0.000 1.447 412 D HN -0.180 nan 8.370 nan 0.000 0.524 413 V N 0.228 120.137 119.914 -0.009 0.000 2.719 413 V HA 0.275 4.396 4.120 0.001 0.000 0.330 413 V C -0.223 175.864 176.094 -0.012 0.000 1.224 413 V CA -0.715 61.579 62.300 -0.010 0.000 1.314 413 V CB 0.987 32.804 31.823 -0.010 0.000 1.416 413 V HN 0.544 nan 8.190 nan 0.000 0.651 414 V N 2.714 122.621 119.914 -0.012 0.000 2.416 414 V HA 0.015 4.136 4.120 0.001 0.000 0.267 414 V C 0.766 176.850 176.094 -0.017 0.000 1.007 414 V CA 0.482 62.773 62.300 -0.015 0.000 1.102 414 V CB 0.505 32.319 31.823 -0.014 0.000 1.035 414 V HN 0.957 nan 8.190 nan 0.000 0.473 415 Q N 5.543 125.332 119.800 -0.020 0.000 2.279 415 Q HA 0.513 4.853 4.340 0.001 0.000 0.256 415 Q C -0.385 175.598 176.000 -0.028 0.000 0.937 415 Q CA -0.148 55.641 55.803 -0.023 0.000 0.933 415 Q CB 1.193 29.917 28.738 -0.024 0.000 1.189 415 Q HN 0.694 nan 8.270 nan 0.000 0.417 416 K N 2.222 122.603 120.400 -0.031 0.000 2.261 416 K HA 0.893 5.214 4.320 0.001 0.000 0.242 416 K C -1.795 174.776 176.600 -0.048 0.000 1.083 416 K CA -0.734 55.531 56.287 -0.037 0.000 0.880 416 K CB 2.019 34.499 32.500 -0.034 0.000 1.353 416 K HN 0.738 nan 8.250 nan 0.000 0.486 417 A N 1.197 123.985 122.820 -0.054 0.000 2.486 417 A HA 0.493 4.813 4.320 0.001 0.000 0.300 417 A C -1.816 175.724 177.584 -0.073 0.000 1.048 417 A CA -0.777 51.217 52.037 -0.073 0.000 0.696 417 A CB 1.647 20.602 19.000 -0.075 0.000 1.278 417 A HN 0.607 nan 8.150 nan 0.000 0.405 418 Q N 0.578 120.323 119.800 -0.092 0.000 2.248 418 Q HA 0.642 4.982 4.340 0.001 0.000 0.263 418 Q C 0.448 176.390 176.000 -0.097 0.000 1.007 418 Q CA -0.781 54.973 55.803 -0.082 0.000 0.877 418 Q CB 1.054 29.749 28.738 -0.071 0.000 1.315 418 Q HN 0.747 nan 8.270 nan 0.000 0.454 419 T N -0.015 114.500 114.554 -0.064 0.000 2.718 419 T HA -0.097 4.254 4.350 0.001 0.000 0.377 419 T C 1.135 175.799 174.700 -0.060 0.000 1.072 419 T CA -0.105 61.966 62.100 -0.048 0.000 1.065 419 T CB 0.146 69.005 68.868 -0.015 0.000 1.194 419 T HN 0.753 nan 8.240 nan 0.000 0.517 420 K N 0.846 121.249 120.400 0.004 0.000 2.137 420 K HA -0.057 4.263 4.320 0.001 0.000 0.202 420 K C 1.698 178.413 176.600 0.192 0.000 1.052 420 K CA 1.035 57.374 56.287 0.088 0.000 0.961 420 K CB -0.268 32.330 32.500 0.164 0.000 0.741 420 K HN 0.622 nan 8.250 nan 0.000 0.452 421 E N 1.392 121.668 120.200 0.126 0.000 1.997 421 E HA -0.197 4.153 4.350 0.001 0.000 0.201 421 E C 1.977 178.681 176.600 0.174 0.000 1.011 421 E CA 1.356 57.843 56.400 0.145 0.000 0.847 421 E CB -0.253 29.498 29.700 0.085 0.000 0.787 421 E HN 0.364 nan 8.360 nan 0.000 0.472 422 Q N 0.103 119.954 119.800 0.085 0.000 2.308 422 Q HA -0.131 4.210 4.340 0.001 0.000 0.209 422 Q C 1.889 177.968 176.000 0.132 0.000 0.985 422 Q CA 1.292 57.137 55.803 0.069 0.000 0.881 422 Q CB -0.588 28.127 28.738 -0.038 0.000 0.917 422 Q HN 0.326 nan 8.270 nan 0.000 0.443 423 A N 0.940 123.806 122.820 0.078 0.000 1.897 423 A HA -0.147 4.174 4.320 0.001 0.000 0.215 423 A C 1.801 179.607 177.584 0.370 0.000 1.181 423 A CA 1.386 53.407 52.037 -0.027 0.000 0.620 423 A CB -0.156 18.534 19.000 -0.517 0.000 0.821 423 A HN 0.170 nan 8.150 nan 0.000 0.443 424 D N -1.041 119.658 120.400 0.498 0.000 2.110 424 D HA -0.079 4.562 4.640 0.001 0.000 0.202 424 D C 1.596 178.088 176.300 0.320 0.000 0.975 424 D CA 1.024 55.288 54.000 0.441 0.000 0.839 424 D CB -0.473 40.491 40.800 0.274 0.000 0.996 424 D HN 0.368 nan 8.370 nan 0.000 0.464 425 F N 1.558 121.597 119.950 0.149 0.000 2.287 425 F HA -0.191 4.336 4.527 0.001 0.000 0.301 425 F C 1.864 177.736 175.800 0.120 0.000 1.069 425 F CA 1.225 59.294 58.000 0.116 0.000 1.372 425 F CB 0.015 39.066 39.000 0.085 0.000 1.056 425 F HN -0.079 nan 8.300 nan 0.000 0.523 426 A N -0.178 122.876 122.820 0.390 0.000 1.956 426 A HA 0.041 4.362 4.320 0.001 0.000 0.212 426 A C 2.105 179.816 177.584 0.212 0.000 1.188 426 A CA 0.908 53.122 52.037 0.294 0.000 0.675 426 A CB -0.854 18.296 19.000 0.250 0.000 0.845 426 A HN 0.477 nan 8.150 nan 0.000 0.455 427 I N -0.482 120.236 120.570 0.248 0.000 2.761 427 I HA -0.105 4.066 4.170 0.001 0.000 0.261 427 I C 2.160 178.391 176.117 0.190 0.000 1.198 427 I CA 1.473 62.923 61.300 0.251 0.000 1.482 427 I CB 0.006 38.185 38.000 0.297 0.000 1.100 427 I HN 0.493 nan 8.210 nan 0.000 0.445 428 E N 1.546 121.826 120.200 0.133 0.000 2.051 428 E HA -0.164 4.187 4.350 0.001 0.000 0.189 428 E C 1.904 178.522 176.600 0.030 0.000 0.979 428 E CA 1.251 57.711 56.400 0.101 0.000 0.803 428 E CB -0.119 29.589 29.700 0.013 0.000 0.761 428 E HN 0.506 nan 8.360 nan 0.000 0.451 429 A N 0.981 123.764 122.820 -0.061 0.000 2.252 429 A HA 0.078 4.399 4.320 0.001 0.000 0.207 429 A C 1.827 179.455 177.584 0.074 0.000 1.194 429 A CA 0.414 52.414 52.037 -0.061 0.000 0.809 429 A CB -0.337 18.565 19.000 -0.163 0.000 0.814 429 A HN 0.373 nan 8.150 nan 0.000 0.482 430 L N -2.096 119.204 121.223 0.127 0.000 2.356 430 L HA 0.455 4.796 4.340 0.001 0.000 0.193 430 L C 2.342 179.345 176.870 0.222 0.000 1.087 430 L CA 1.603 56.560 54.840 0.195 0.000 0.817 430 L CB -0.701 41.457 42.059 0.164 0.000 1.035 430 L HN 0.105 nan 8.230 nan 0.000 0.482 431 A N 1.270 124.203 122.820 0.188 0.000 1.845 431 A HA -0.265 4.055 4.320 0.001 0.000 0.215 431 A C 2.332 179.970 177.584 0.091 0.000 1.195 431 A CA 2.401 54.540 52.037 0.170 0.000 0.616 431 A CB -0.919 18.227 19.000 0.244 0.000 0.832 431 A HN 0.658 nan 8.150 nan 0.000 0.443 432 K N -0.183 120.236 120.400 0.030 0.000 2.218 432 K HA -0.023 4.298 4.320 0.001 0.000 0.205 432 K C 1.460 178.098 176.600 0.062 0.000 1.046 432 K CA 1.875 58.153 56.287 -0.014 0.000 0.933 432 K CB -0.313 32.162 32.500 -0.042 0.000 0.728 432 K HN 0.328 nan 8.250 nan 0.000 0.454 433 A N 0.425 123.288 122.820 0.072 0.000 2.252 433 A HA 0.129 4.450 4.320 0.001 0.000 0.213 433 A C 1.793 179.316 177.584 -0.102 0.000 1.188 433 A CA 0.075 52.119 52.037 0.011 0.000 0.863 433 A CB -0.110 18.916 19.000 0.045 0.000 0.893 433 A HN 0.305 nan 8.150 nan 0.000 0.495 434 K N -0.964 119.459 120.400 0.038 0.000 2.432 434 K HA -0.007 4.313 4.320 0.001 0.000 0.196 434 K C 1.376 177.909 176.600 -0.112 0.000 1.038 434 K CA 0.942 57.210 56.287 -0.032 0.000 0.986 434 K CB -0.179 32.545 32.500 0.373 0.000 0.782 434 K HN 0.486 nan 8.250 nan 0.000 0.485 435 F N 1.153 120.991 119.950 -0.186 0.000 2.220 435 F HA 0.054 4.582 4.527 0.001 0.000 0.290 435 F C 2.013 177.658 175.800 -0.258 0.000 1.080 435 F CA 0.880 58.743 58.000 -0.228 0.000 1.318 435 F CB -0.209 38.649 39.000 -0.237 0.000 1.063 435 F HN -0.041 nan 8.300 nan 0.000 0.498 436 E N 0.513 120.372 120.200 -0.569 0.000 2.204 436 E HA -0.192 4.159 4.350 0.001 0.000 0.195 436 E C 2.189 178.519 176.600 -0.451 0.000 0.990 436 E CA 0.436 56.478 56.400 -0.598 0.000 0.821 436 E CB -0.124 29.429 29.700 -0.246 0.000 0.750 436 E HN 0.257 nan 8.360 nan 0.000 0.477 437 R N 0.450 120.668 120.500 -0.470 0.000 2.152 437 R HA -0.134 4.206 4.340 0.001 0.000 0.232 437 R C 2.374 178.402 176.300 -0.453 0.000 1.117 437 R CA 0.623 56.398 56.100 -0.541 0.000 0.981 437 R CB -0.446 29.310 30.300 -0.907 0.000 0.870 437 R HN 0.266 nan 8.270 nan 0.000 0.451 438 L N -0.594 120.342 121.223 -0.479 0.000 2.168 438 L HA 0.010 4.350 4.340 0.001 0.000 0.203 438 L C 2.073 178.742 176.870 -0.334 0.000 1.078 438 L CA 1.094 55.682 54.840 -0.420 0.000 0.780 438 L CB -0.614 41.162 42.059 -0.470 0.000 0.939 438 L HN -0.038 nan 8.230 nan 0.000 0.451 439 F N 1.321 120.847 119.950 -0.706 0.000 2.043 439 F HA -0.275 4.253 4.527 0.001 0.000 0.297 439 F C 2.427 178.067 175.800 -0.268 0.000 1.118 439 F CA 1.898 59.566 58.000 -0.553 0.000 1.202 439 F CB -0.398 38.163 39.000 -0.731 0.000 0.965 439 F HN 0.077 nan 8.300 nan 0.000 0.482 440 R N -0.768 119.524 120.500 -0.347 0.000 2.241 440 R HA -0.216 4.125 4.340 0.001 0.000 0.224 440 R C 1.989 178.136 176.300 -0.256 0.000 1.101 440 R CA 1.179 57.065 56.100 -0.358 0.000 0.995 440 R CB -1.800 28.360 30.300 -0.233 0.000 0.870 440 R HN 0.608 nan 8.270 nan 0.000 0.463 441 W N 1.905 122.985 121.300 -0.366 0.000 2.380 441 W HA -0.133 4.528 4.660 0.001 0.000 0.317 441 W C 1.777 178.153 176.519 -0.238 0.000 1.196 441 W CA 1.117 58.279 57.345 -0.305 0.000 1.307 441 W CB -0.062 29.192 29.460 -0.343 0.000 1.157 441 W HN -0.166 nan 8.180 nan 0.000 0.483 442 I N 0.905 121.663 120.570 0.314 0.000 2.076 442 I HA -0.317 3.853 4.170 0.001 0.000 0.237 442 I C 2.518 178.620 176.117 -0.025 0.000 1.059 442 I CA 1.760 63.254 61.300 0.323 0.000 1.317 442 I CB -1.927 36.364 38.000 0.484 0.000 1.037 442 I HN 0.180 nan 8.210 nan 0.000 0.398 443 L N 0.814 121.898 121.223 -0.231 0.000 2.151 443 L HA -0.265 4.076 4.340 0.001 0.000 0.215 443 L C 2.179 178.917 176.870 -0.220 0.000 1.084 443 L CA 2.212 56.880 54.840 -0.286 0.000 0.764 443 L CB -0.452 41.305 42.059 -0.504 0.000 0.891 443 L HN 0.343 nan 8.230 nan 0.000 0.435 444 T N -2.219 112.167 114.554 -0.280 0.000 3.086 444 T HA 0.057 4.408 4.350 0.001 0.000 0.250 444 T C 1.809 176.308 174.700 -0.335 0.000 1.074 444 T CA -0.116 61.815 62.100 -0.281 0.000 0.988 444 T CB 0.070 68.756 68.868 -0.303 0.000 0.988 444 T HN 0.181 nan 8.240 nan 0.000 0.530 445 R N 1.298 121.563 120.500 -0.392 0.000 2.090 445 R HA 0.230 4.571 4.340 0.001 0.000 0.219 445 R C 2.061 178.307 176.300 -0.090 0.000 1.100 445 R CA 0.563 56.386 56.100 -0.463 0.000 0.991 445 R CB -0.932 28.850 30.300 -0.863 0.000 0.893 445 R HN 0.294 nan 8.270 nan 0.000 0.443 446 V N 2.010 121.953 119.914 0.048 0.000 2.239 446 V HA -0.181 3.939 4.120 0.001 0.000 0.242 446 V C 1.910 178.001 176.094 -0.004 0.000 1.038 446 V CA 1.700 64.061 62.300 0.101 0.000 1.002 446 V CB -0.549 31.323 31.823 0.081 0.000 0.641 446 V HN 0.348 nan 8.190 nan 0.000 0.449 447 N N 0.127 118.796 118.700 -0.051 0.000 2.484 447 N HA -0.243 4.498 4.740 0.001 0.000 0.193 447 N C 1.753 177.223 175.510 -0.066 0.000 1.033 447 N CA 1.526 54.538 53.050 -0.063 0.000 0.906 447 N CB -0.240 38.194 38.487 -0.088 0.000 0.947 447 N HN 0.559 nan 8.380 nan 0.000 0.448 448 K N 0.190 120.545 120.400 -0.076 0.000 2.186 448 K HA 0.065 4.385 4.320 0.001 0.000 0.202 448 K C 1.832 178.408 176.600 -0.040 0.000 1.052 448 K CA 0.900 57.142 56.287 -0.074 0.000 0.965 448 K CB 0.092 32.528 32.500 -0.107 0.000 0.746 448 K HN 0.039 nan 8.250 nan 0.000 0.457 449 A N 1.341 124.151 122.820 -0.017 0.000 1.878 449 A HA 0.065 4.386 4.320 0.001 0.000 0.213 449 A C 1.777 179.356 177.584 -0.008 0.000 1.192 449 A CA 0.506 52.542 52.037 -0.001 0.000 0.619 449 A CB -0.451 18.565 19.000 0.026 0.000 0.837 449 A HN 0.310 nan 8.150 nan 0.000 0.446 450 L N -0.280 120.935 121.223 -0.014 0.000 2.786 450 L HA 0.194 4.535 4.340 0.001 0.000 0.250 450 L C 0.392 177.249 176.870 -0.021 0.000 1.151 450 L CA 0.466 55.294 54.840 -0.019 0.000 0.910 450 L CB -1.227 40.817 42.059 -0.025 0.000 1.082 450 L HN 0.467 nan 8.230 nan 0.000 0.433 459 S N -0.024 115.779 115.700 0.171 0.000 2.687 459 S HA 0.842 5.313 4.470 0.001 0.000 0.283 459 S C -0.515 174.216 174.600 0.219 0.000 1.170 459 S CA 0.082 58.407 58.200 0.209 0.000 1.008 459 S CB 1.480 64.844 63.200 0.273 0.000 1.026 459 S HN 1.805 nan 8.310 nan 0.000 0.541 460 F N -0.564 119.373 119.950 -0.021 0.000 2.669 460 F HA 0.655 5.182 4.527 0.001 0.000 0.315 460 F C -2.165 173.566 175.800 -0.115 0.000 1.109 460 F CA -1.226 56.659 58.000 -0.191 0.000 1.028 460 F CB 0.547 39.485 39.000 -0.103 0.000 1.287 460 F HN 0.674 nan 8.300 nan 0.000 0.452 461 L N 3.829 124.874 121.223 -0.297 0.000 2.309 461 L HA 0.925 5.265 4.340 0.001 0.000 0.282 461 L C -0.020 176.788 176.870 -0.103 0.000 1.036 461 L CA -0.269 54.443 54.840 -0.213 0.000 0.806 461 L CB 1.738 43.806 42.059 0.016 0.000 1.220 461 L HN 1.004 nan 8.230 nan 0.000 0.429 462 G N 5.900 114.600 108.800 -0.166 0.000 2.417 462 G HA2 0.583 4.544 3.960 0.001 0.000 0.320 462 G HA3 0.583 4.544 3.960 0.001 0.000 0.320 462 G C -0.857 173.809 174.900 -0.391 0.000 1.204 462 G CA -0.455 44.485 45.100 -0.268 0.000 0.923 462 G HN 0.553 nan 8.290 nan 0.000 0.466 463 I N 3.107 123.361 120.570 -0.527 0.000 2.405 463 I HA 0.217 4.387 4.170 0.001 0.000 0.280 463 I C -0.694 175.202 176.117 -0.369 0.000 1.027 463 I CA -0.754 60.341 61.300 -0.342 0.000 1.161 463 I CB 1.729 39.607 38.000 -0.205 0.000 1.300 463 I HN 0.214 nan 8.210 nan 0.000 0.463 464 L N 6.153 127.235 121.223 -0.235 0.000 2.282 464 L HA 0.295 4.636 4.340 0.001 0.000 0.287 464 L C -0.051 176.812 176.870 -0.012 0.000 1.075 464 L CA 0.254 55.069 54.840 -0.042 0.000 0.839 464 L CB 0.414 42.528 42.059 0.092 0.000 1.219 464 L HN 0.500 nan 8.230 nan 0.000 0.434 465 D N 5.097 125.503 120.400 0.010 0.000 2.557 465 D HA 0.234 4.875 4.640 0.001 0.000 0.236 465 D C 0.349 176.646 176.300 -0.005 0.000 1.154 465 D CA -0.466 53.522 54.000 -0.021 0.000 0.985 465 D CB 0.003 40.774 40.800 -0.047 0.000 1.010 465 D HN 0.493 nan 8.370 nan 0.000 0.516 466 I N -0.314 120.254 120.570 -0.004 0.000 3.488 466 I HA 0.712 4.882 4.170 0.001 0.000 0.259 466 I C 0.287 176.383 176.117 -0.035 0.000 1.247 466 I CA -1.075 60.220 61.300 -0.008 0.000 0.812 466 I CB 0.564 38.550 38.000 -0.024 0.000 1.672 466 I HN 0.180 nan 8.210 nan 0.000 0.819 467 A N 0.144 122.952 122.820 -0.019 0.000 2.337 467 A HA 0.771 5.091 4.320 0.001 0.000 0.331 467 A C 0.006 177.600 177.584 0.017 0.000 1.137 467 A CA -0.296 51.727 52.037 -0.024 0.000 0.807 467 A CB 0.628 19.617 19.000 -0.018 0.000 1.250 467 A HN 1.043 nan 8.150 nan 0.000 0.468 468 G N -0.471 108.344 108.800 0.025 0.000 2.400 468 G HA2 0.449 4.409 3.960 0.001 0.000 0.301 468 G HA3 0.449 4.409 3.960 0.001 0.000 0.301 468 G C -0.235 174.744 174.900 0.133 0.000 1.154 468 G CA -0.572 44.577 45.100 0.082 0.000 0.852 468 G HN 0.795 nan 8.290 nan 0.000 0.511 469 F N 2.272 122.252 119.950 0.050 0.000 2.392 469 F HA 0.033 4.560 4.527 0.001 0.000 0.318 469 F C 1.100 176.940 175.800 0.066 0.000 1.209 469 F CA -0.257 57.784 58.000 0.067 0.000 0.914 469 F CB -0.245 38.797 39.000 0.069 0.000 1.103 469 F HN 0.508 nan 8.300 nan 0.000 0.591 470 E N 6.766 126.809 120.200 -0.261 0.000 2.214 470 E HA 0.552 4.903 4.350 0.001 0.000 0.274 470 E C -0.632 175.808 176.600 -0.267 0.000 0.977 470 E CA -1.090 55.208 56.400 -0.170 0.000 0.827 470 E CB 2.536 32.357 29.700 0.201 0.000 1.130 470 E HN 0.633 nan 8.360 nan 0.000 0.394 471 I N 1.384 121.849 120.570 -0.176 0.000 2.599 471 I HA 0.323 4.494 4.170 0.001 0.000 0.285 471 I C -1.650 174.524 176.117 0.096 0.000 1.168 471 I CA -0.802 60.460 61.300 -0.064 0.000 1.060 471 I CB 0.559 38.373 38.000 -0.311 0.000 1.249 471 I HN 0.469 nan 8.210 nan 0.000 0.442 472 F N 4.474 124.330 119.950 -0.157 0.000 2.861 472 F HA 0.531 5.059 4.527 0.001 0.000 0.222 472 F C 1.576 177.324 175.800 -0.086 0.000 1.320 472 F CA -0.521 57.418 58.000 -0.101 0.000 0.960 472 F CB -0.295 38.666 39.000 -0.064 0.000 2.058 472 F HN 0.421 nan 8.300 nan 0.000 0.528 473 E N -0.910 119.415 120.200 0.208 0.000 2.413 473 E HA 0.257 4.607 4.350 0.001 0.000 0.203 473 E C -0.747 175.888 176.600 0.059 0.000 0.957 473 E CA 0.336 56.788 56.400 0.087 0.000 0.950 473 E CB 0.510 30.256 29.700 0.078 0.000 0.957 473 E HN 0.237 nan 8.360 nan 0.000 0.497 474 I N 1.956 122.560 120.570 0.057 0.000 2.493 474 I HA 0.145 4.316 4.170 0.001 0.000 0.279 474 I C -0.807 175.298 176.117 -0.021 0.000 1.045 474 I CA -0.427 60.892 61.300 0.031 0.000 1.106 474 I CB 1.492 39.513 38.000 0.035 0.000 1.216 474 I HN -0.159 nan 8.210 nan 0.000 0.459 475 N N 4.717 123.428 118.700 0.019 0.000 3.083 475 N HA 0.111 4.851 4.740 0.001 0.000 0.260 475 N C 0.244 175.953 175.510 0.332 0.000 1.163 475 N CA -0.166 52.901 53.050 0.030 0.000 1.060 475 N CB 1.123 39.467 38.487 -0.239 0.000 1.345 475 N HN 0.614 nan 8.380 nan 0.000 0.515 476 S N 0.788 116.624 115.700 0.226 0.000 2.614 476 S HA -0.055 4.416 4.470 0.001 0.000 0.251 476 S C 1.312 176.107 174.600 0.326 0.000 1.388 476 S CA -0.322 58.083 58.200 0.342 0.000 0.973 476 S CB 0.329 63.606 63.200 0.129 0.000 0.926 476 S HN 0.384 nan 8.310 nan 0.000 0.580 477 F N 2.004 121.828 119.950 -0.210 0.000 2.069 477 F HA -0.040 4.488 4.527 0.001 0.000 0.298 477 F C 2.033 177.609 175.800 -0.372 0.000 1.113 477 F CA 2.422 59.926 58.000 -0.826 0.000 1.214 477 F CB -1.286 37.065 39.000 -1.081 0.000 0.978 477 F HN 0.771 nan 8.300 nan 0.000 0.474 478 E N 0.170 120.184 120.200 -0.310 0.000 2.086 478 E HA -0.323 4.028 4.350 0.001 0.000 0.205 478 E C 1.995 178.447 176.600 -0.245 0.000 1.027 478 E CA 2.161 58.364 56.400 -0.328 0.000 0.830 478 E CB -0.583 29.026 29.700 -0.152 0.000 0.751 478 E HN 0.393 nan 8.360 nan 0.000 0.456 479 Q N -0.220 119.516 119.800 -0.108 0.000 2.368 479 Q HA -0.106 4.234 4.340 0.001 0.000 0.210 479 Q C 1.910 177.993 176.000 0.138 0.000 0.982 479 Q CA 0.731 56.530 55.803 -0.008 0.000 0.884 479 Q CB -0.159 28.564 28.738 -0.024 0.000 0.933 479 Q HN 0.319 nan 8.270 nan 0.000 0.460 480 L N -0.999 120.267 121.223 0.072 0.000 2.049 480 L HA -0.075 4.266 4.340 0.001 0.000 0.203 480 L C 1.676 178.575 176.870 0.049 0.000 1.074 480 L CA 1.655 56.553 54.840 0.097 0.000 0.749 480 L CB -0.747 41.185 42.059 -0.212 0.000 0.907 480 L HN 0.273 nan 8.230 nan 0.000 0.439 481 C N -0.520 118.673 119.300 -0.180 0.000 2.448 481 C HA 0.061 4.522 4.460 0.001 0.000 0.280 481 C C 2.652 177.734 174.990 0.153 0.000 1.398 481 C CA 0.063 59.112 59.018 0.052 0.000 1.774 481 C CB -1.413 26.155 27.740 -0.287 0.000 1.888 481 C HN 0.612 nan 8.230 nan 0.000 0.519 482 I N 2.129 122.712 120.570 0.021 0.000 2.110 482 I HA -0.178 3.992 4.170 0.001 0.000 0.236 482 I C 2.207 178.387 176.117 0.105 0.000 1.068 482 I CA 1.700 63.023 61.300 0.037 0.000 1.333 482 I CB -0.291 37.712 38.000 0.006 0.000 1.054 482 I HN 0.263 nan 8.210 nan 0.000 0.402 483 N N -0.067 118.721 118.700 0.148 0.000 2.289 483 N HA -0.246 4.494 4.740 0.001 0.000 0.184 483 N C 1.613 177.210 175.510 0.145 0.000 1.016 483 N CA 0.955 54.120 53.050 0.192 0.000 0.872 483 N CB -0.504 38.095 38.487 0.186 0.000 0.973 483 N HN 0.409 nan 8.380 nan 0.000 0.433 484 Y N 1.800 122.155 120.300 0.092 0.000 2.165 484 Y HA -0.203 4.348 4.550 0.001 0.000 0.286 484 Y C 1.974 177.907 175.900 0.055 0.000 1.155 484 Y CA 1.667 59.830 58.100 0.105 0.000 1.164 484 Y CB -0.932 37.610 38.460 0.138 0.000 0.978 484 Y HN 0.041 nan 8.280 nan 0.000 0.513 485 T N 0.512 114.936 114.554 -0.216 0.000 2.821 485 T HA -0.180 4.171 4.350 0.001 0.000 0.267 485 T C 1.766 176.320 174.700 -0.244 0.000 1.046 485 T CA 1.519 63.425 62.100 -0.324 0.000 1.139 485 T CB -0.501 68.327 68.868 -0.067 0.000 0.871 485 T HN 0.497 nan 8.240 nan 0.000 0.454 486 N N 0.819 119.447 118.700 -0.120 0.000 2.043 486 N HA -0.174 4.567 4.740 0.001 0.000 0.193 486 N C 2.084 177.368 175.510 -0.378 0.000 1.037 486 N CA 1.413 54.398 53.050 -0.109 0.000 0.851 486 N CB -0.154 38.409 38.487 0.126 0.000 1.027 486 N HN 0.461 nan 8.380 nan 0.000 0.422 487 E N 1.305 121.230 120.200 -0.457 0.000 2.118 487 E HA -0.153 4.198 4.350 0.001 0.000 0.195 487 E C 1.873 178.239 176.600 -0.390 0.000 0.992 487 E CA 1.113 57.144 56.400 -0.615 0.000 0.804 487 E CB 0.224 29.787 29.700 -0.229 0.000 0.741 487 E HN 0.110 nan 8.360 nan 0.000 0.458 488 K N 0.064 120.262 120.400 -0.338 0.000 2.026 488 K HA -0.135 4.186 4.320 0.001 0.000 0.208 488 K C 2.024 178.506 176.600 -0.197 0.000 1.048 488 K CA 0.751 56.868 56.287 -0.283 0.000 0.929 488 K CB -0.426 31.823 32.500 -0.418 0.000 0.713 488 K HN 0.220 nan 8.250 nan 0.000 0.439 489 L N 1.879 122.990 121.223 -0.187 0.000 2.093 489 L HA -0.164 4.177 4.340 0.001 0.000 0.208 489 L C 2.353 179.192 176.870 -0.052 0.000 1.085 489 L CA 1.770 56.566 54.840 -0.074 0.000 0.755 489 L CB -0.980 41.054 42.059 -0.042 0.000 0.904 489 L HN 0.166 nan 8.230 nan 0.000 0.435 490 Q N -0.516 119.167 119.800 -0.195 0.000 2.084 490 Q HA -0.265 4.076 4.340 0.001 0.000 0.202 490 Q C 2.252 178.205 176.000 -0.078 0.000 0.978 490 Q CA 2.015 57.697 55.803 -0.200 0.000 0.844 490 Q CB -0.369 28.049 28.738 -0.533 0.000 0.898 490 Q HN 0.510 nan 8.270 nan 0.000 0.426 491 Q N -0.228 119.510 119.800 -0.104 0.000 2.084 491 Q HA -0.115 4.226 4.340 0.001 0.000 0.202 491 Q C 1.901 177.902 176.000 0.001 0.000 0.978 491 Q CA 1.589 57.371 55.803 -0.035 0.000 0.844 491 Q CB -0.711 27.993 28.738 -0.057 0.000 0.898 491 Q HN 0.485 nan 8.270 nan 0.000 0.426 492 L N -0.080 121.150 121.223 0.012 0.000 2.013 492 L HA -0.143 4.198 4.340 0.001 0.000 0.212 492 L C 2.085 179.008 176.870 0.088 0.000 1.073 492 L CA 2.063 56.950 54.840 0.077 0.000 0.753 492 L CB -1.140 40.980 42.059 0.102 0.000 0.890 492 L HN 0.359 nan 8.230 nan 0.000 0.432 493 F N 1.051 120.929 119.950 -0.121 0.000 2.046 493 F HA -0.267 4.261 4.527 0.001 0.000 0.297 493 F C 2.161 177.594 175.800 -0.611 0.000 1.123 493 F CA 2.340 60.058 58.000 -0.469 0.000 1.199 493 F CB -0.681 37.857 39.000 -0.769 0.000 0.972 493 F HN 0.358 nan 8.300 nan 0.000 0.474 494 N N -1.348 117.117 118.700 -0.393 0.000 2.104 494 N HA -0.285 4.456 4.740 0.001 0.000 0.190 494 N C 1.766 176.828 175.510 -0.746 0.000 1.024 494 N CA 1.417 54.022 53.050 -0.741 0.000 0.853 494 N CB -0.571 37.924 38.487 0.014 0.000 1.008 494 N HN 0.366 nan 8.380 nan 0.000 0.424 495 H N 0.869 119.710 119.070 -0.382 0.000 2.253 495 H HA -0.077 4.479 4.556 0.001 0.000 0.296 495 H C 1.944 177.097 175.328 -0.292 0.000 1.074 495 H CA 2.472 58.382 56.048 -0.230 0.000 1.263 495 H CB -0.738 28.954 29.762 -0.116 0.000 1.363 495 H HN 0.263 nan 8.280 nan 0.000 0.489 496 T N -1.101 113.231 114.554 -0.370 0.000 2.881 496 T HA -0.146 4.205 4.350 0.001 0.000 0.270 496 T C 1.993 176.400 174.700 -0.489 0.000 1.068 496 T CA 1.277 63.146 62.100 -0.385 0.000 1.131 496 T CB -0.077 68.693 68.868 -0.164 0.000 0.871 496 T HN 0.104 nan 8.240 nan 0.000 0.479 497 M N 1.271 120.389 119.600 -0.802 0.000 2.136 497 M HA 0.257 4.738 4.480 0.001 0.000 0.249 497 M C 2.046 178.012 176.300 -0.557 0.000 1.146 497 M CA 0.915 55.663 55.300 -0.920 0.000 1.108 497 M CB -1.271 30.261 32.600 -1.779 0.000 1.199 497 M HN 0.284 nan 8.290 nan 0.000 0.439 498 F N 0.359 120.091 119.950 -0.362 0.000 2.074 498 F HA 0.016 4.544 4.527 0.001 0.000 0.293 498 F C 2.382 178.205 175.800 0.038 0.000 1.116 498 F CA 0.428 58.298 58.000 -0.218 0.000 1.212 498 F CB -1.968 36.887 39.000 -0.242 0.000 0.998 498 F HN 0.076 nan 8.300 nan 0.000 0.471 499 I N 0.458 121.116 120.570 0.146 0.000 2.071 499 I HA -0.347 3.824 4.170 0.001 0.000 0.214 499 I C 2.497 178.587 176.117 -0.045 0.000 1.020 499 I CA 1.354 62.729 61.300 0.125 0.000 1.334 499 I CB -1.023 37.038 38.000 0.102 0.000 1.073 499 I HN 0.102 nan 8.210 nan 0.000 0.388 500 L N 0.385 121.387 121.223 -0.368 0.000 2.056 500 L HA -0.383 3.958 4.340 0.001 0.000 0.237 500 L C 2.700 179.449 176.870 -0.201 0.000 1.106 500 L CA 2.343 56.965 54.840 -0.364 0.000 0.829 500 L CB -0.664 41.084 42.059 -0.518 0.000 0.924 500 L HN 0.437 nan 8.230 nan 0.000 0.447 501 E N -0.438 119.629 120.200 -0.220 0.000 2.086 501 E HA -0.370 3.981 4.350 0.001 0.000 0.205 501 E C 2.086 178.474 176.600 -0.354 0.000 1.027 501 E CA 2.265 58.500 56.400 -0.275 0.000 0.830 501 E CB -0.251 29.325 29.700 -0.207 0.000 0.751 501 E HN 0.414 nan 8.360 nan 0.000 0.456 502 Q N -0.094 119.715 119.800 0.015 0.000 2.173 502 Q HA -0.248 4.093 4.340 0.001 0.000 0.208 502 Q C 2.061 178.192 176.000 0.219 0.000 0.989 502 Q CA 2.234 58.268 55.803 0.385 0.000 0.872 502 Q CB -0.016 29.146 28.738 0.706 0.000 0.909 502 Q HN 0.419 nan 8.270 nan 0.000 0.420 503 E N 0.141 120.386 120.200 0.075 0.000 2.070 503 E HA -0.269 4.082 4.350 0.001 0.000 0.197 503 E C 1.883 178.489 176.600 0.010 0.000 1.004 503 E CA 1.515 57.941 56.400 0.044 0.000 0.805 503 E CB -0.270 29.424 29.700 -0.010 0.000 0.744 503 E HN 0.383 nan 8.360 nan 0.000 0.451 504 E N 0.369 120.511 120.200 -0.096 0.000 2.265 504 E HA -0.170 4.181 4.350 0.001 0.000 0.196 504 E C 1.664 178.261 176.600 -0.006 0.000 0.996 504 E CA 0.825 57.195 56.400 -0.049 0.000 0.832 504 E CB -0.204 29.459 29.700 -0.062 0.000 0.756 504 E HN 0.293 nan 8.360 nan 0.000 0.491 505 Y N 0.464 120.784 120.300 0.034 0.000 2.184 505 Y HA -0.067 4.483 4.550 0.001 0.000 0.290 505 Y C 2.323 178.208 175.900 -0.025 0.000 1.129 505 Y CA 1.356 59.374 58.100 -0.136 0.000 1.144 505 Y CB -0.730 37.619 38.460 -0.185 0.000 0.995 505 Y HN 0.136 nan 8.280 nan 0.000 0.513 506 Q N -0.314 119.640 119.800 0.258 0.000 2.050 506 Q HA -0.170 4.170 4.340 0.001 0.000 0.202 506 Q C 2.408 178.455 176.000 0.078 0.000 0.980 506 Q CA 1.415 57.322 55.803 0.174 0.000 0.840 506 Q CB -0.203 28.633 28.738 0.163 0.000 0.898 506 Q HN 0.344 nan 8.270 nan 0.000 0.424 507 R N 0.322 120.856 120.500 0.057 0.000 2.083 507 R HA -0.153 4.188 4.340 0.001 0.000 0.237 507 R C 2.083 178.389 176.300 0.011 0.000 1.137 507 R CA 1.223 57.340 56.100 0.028 0.000 0.951 507 R CB -0.022 30.293 30.300 0.025 0.000 0.851 507 R HN 0.222 nan 8.270 nan 0.000 0.434 508 E N -1.222 118.974 120.200 -0.005 0.000 2.208 508 E HA -0.059 4.291 4.350 0.001 0.000 0.193 508 E C 1.297 177.858 176.600 -0.066 0.000 0.988 508 E CA 1.099 57.475 56.400 -0.040 0.000 0.828 508 E CB 0.329 29.980 29.700 -0.082 0.000 0.763 508 E HN 0.623 nan 8.360 nan 0.000 0.478 509 G N 1.400 110.166 108.800 -0.058 0.000 2.213 509 G HA2 -0.299 3.662 3.960 0.001 0.000 0.236 509 G HA3 -0.299 3.662 3.960 0.001 0.000 0.236 509 G C 0.611 175.469 174.900 -0.071 0.000 0.991 509 G CA 0.178 45.257 45.100 -0.035 0.000 0.629 509 G HN 0.336 nan 8.290 nan 0.000 0.517 510 I N -0.198 120.258 120.570 -0.191 0.000 3.115 510 I HA 0.168 4.339 4.170 0.001 0.000 0.315 510 I C 0.889 176.945 176.117 -0.101 0.000 1.211 510 I CA 0.656 61.797 61.300 -0.265 0.000 1.453 510 I CB 0.442 38.078 38.000 -0.606 0.000 1.307 510 I HN 0.261 nan 8.210 nan 0.000 0.568 511 E N 6.950 127.094 120.200 -0.093 0.000 1.954 511 E HA -0.071 4.280 4.350 0.001 0.000 0.272 511 E C -0.846 175.842 176.600 0.147 0.000 1.170 511 E CA -0.057 56.347 56.400 0.007 0.000 1.101 511 E CB 0.094 29.783 29.700 -0.017 0.000 1.076 511 E HN 0.704 nan 8.360 nan 0.000 0.449 512 W N 3.765 125.011 121.300 -0.089 0.000 3.207 512 W HA 0.369 5.030 4.660 0.001 0.000 0.340 512 W C -0.950 175.576 176.519 0.012 0.000 1.336 512 W CA -0.717 56.594 57.345 -0.056 0.000 1.097 512 W CB 1.529 30.937 29.460 -0.087 0.000 1.671 512 W HN 0.416 nan 8.180 nan 0.000 0.636 513 N N 1.304 119.319 118.700 -1.141 0.000 2.555 513 N HA 0.146 4.886 4.740 0.001 0.000 0.265 513 N C -1.916 173.032 175.510 -0.937 0.000 1.135 513 N CA -0.580 52.010 53.050 -0.766 0.000 0.925 513 N CB 1.681 39.826 38.487 -0.570 0.000 1.662 513 N HN 0.240 nan 8.380 nan 0.000 0.489 514 F N 1.852 121.567 119.950 -0.392 0.000 2.459 514 F HA 0.575 5.103 4.527 0.001 0.000 0.346 514 F C -0.680 175.044 175.800 -0.127 0.000 1.128 514 F CA -0.234 57.696 58.000 -0.117 0.000 1.268 514 F CB 0.523 39.542 39.000 0.032 0.000 1.161 514 F HN 0.474 nan 8.300 nan 0.000 0.583 515 I N 4.952 124.851 120.570 -1.118 0.000 2.500 515 I HA 0.159 4.330 4.170 0.001 0.000 0.286 515 I C -1.170 174.194 176.117 -1.255 0.000 1.063 515 I CA -0.589 60.121 61.300 -0.985 0.000 1.062 515 I CB 1.550 39.258 38.000 -0.487 0.000 1.223 515 I HN 0.412 nan 8.210 nan 0.000 0.435 516 D N 5.611 125.383 120.400 -1.046 0.000 2.339 516 D HA 0.203 4.843 4.640 0.001 0.000 0.241 516 D C 0.473 176.597 176.300 -0.294 0.000 1.183 516 D CA 0.059 53.819 54.000 -0.399 0.000 0.859 516 D CB 0.710 41.499 40.800 -0.020 0.000 1.067 516 D HN 0.287 nan 8.370 nan 0.000 0.484 517 F N 1.178 121.012 119.950 -0.194 0.000 2.804 517 F HA 0.158 4.686 4.527 0.001 0.000 0.303 517 F C 1.975 177.660 175.800 -0.192 0.000 1.154 517 F CA 0.117 57.922 58.000 -0.324 0.000 1.401 517 F CB -0.173 38.319 39.000 -0.847 0.000 1.106 517 F HN 0.574 nan 8.300 nan 0.000 0.568 518 G N 1.649 110.492 108.800 0.073 0.000 2.372 518 G HA2 -0.279 3.682 3.960 0.001 0.000 0.297 518 G HA3 -0.279 3.682 3.960 0.001 0.000 0.297 518 G C -0.444 174.544 174.900 0.145 0.000 1.005 518 G CA -0.013 45.144 45.100 0.095 0.000 1.173 518 G HN 0.378 nan 8.290 nan 0.000 0.511 519 L N 0.867 122.233 121.223 0.239 0.000 2.573 519 L HA 0.555 4.895 4.340 0.001 0.000 0.260 519 L C -0.876 176.179 176.870 0.309 0.000 0.997 519 L CA -0.612 54.412 54.840 0.307 0.000 0.890 519 L CB 2.042 44.397 42.059 0.494 0.000 1.179 519 L HN 0.337 nan 8.230 nan 0.000 0.439 520 D N 2.781 123.314 120.400 0.223 0.000 2.931 520 D HA 0.405 5.046 4.640 0.001 0.000 0.215 520 D C -0.439 175.952 176.300 0.151 0.000 1.297 520 D CA -0.430 53.678 54.000 0.180 0.000 0.892 520 D CB 1.563 42.468 40.800 0.174 0.000 1.642 520 D HN 0.312 nan 8.370 nan 0.000 0.560 521 L N 2.273 123.567 121.223 0.120 0.000 2.959 521 L HA 0.338 4.678 4.340 0.001 0.000 0.259 521 L C 1.762 178.700 176.870 0.114 0.000 1.185 521 L CA -0.517 54.395 54.840 0.121 0.000 0.998 521 L CB 0.209 42.315 42.059 0.078 0.000 1.337 521 L HN 0.294 nan 8.230 nan 0.000 0.555 522 Q N 2.074 121.932 119.800 0.097 0.000 2.082 522 Q HA -0.161 4.180 4.340 0.001 0.000 0.211 522 Q C -0.518 175.561 176.000 0.131 0.000 1.002 522 Q CA 2.615 58.470 55.803 0.086 0.000 0.868 522 Q CB -1.226 27.551 28.738 0.066 0.000 0.931 522 Q HN 0.328 nan 8.270 nan 0.000 0.414 523 P HA -0.190 nan 4.420 nan 0.000 0.212 523 P C 1.260 178.722 177.300 0.270 0.000 1.178 523 P CA 1.546 64.802 63.100 0.259 0.000 0.915 523 P CB -0.561 31.319 31.700 0.299 0.000 0.788 524 C N -1.166 118.257 119.300 0.206 0.000 2.402 524 C HA -0.075 4.385 4.460 0.001 0.000 0.301 524 C C 2.704 177.802 174.990 0.180 0.000 1.455 524 C CA 0.330 59.432 59.018 0.140 0.000 1.787 524 C CB -2.209 25.651 27.740 0.199 0.000 1.726 524 C HN 0.112 nan 8.230 nan 0.000 0.565 525 I N -0.255 120.428 120.570 0.187 0.000 2.499 525 I HA -0.005 4.165 4.170 0.001 0.000 0.243 525 I C 2.372 178.591 176.117 0.170 0.000 1.085 525 I CA 0.632 62.061 61.300 0.216 0.000 1.422 525 I CB -0.704 37.402 38.000 0.178 0.000 1.165 525 I HN 0.106 nan 8.210 nan 0.000 0.440 526 E N 1.442 121.733 120.200 0.152 0.000 2.130 526 E HA -0.270 4.080 4.350 0.001 0.000 0.196 526 E C 2.189 178.860 176.600 0.119 0.000 0.998 526 E CA 1.219 57.695 56.400 0.127 0.000 0.806 526 E CB -0.724 29.055 29.700 0.131 0.000 0.738 526 E HN 0.459 nan 8.360 nan 0.000 0.459 527 L N 0.288 121.598 121.223 0.144 0.000 2.450 527 L HA -0.139 4.202 4.340 0.001 0.000 0.225 527 L C 1.826 178.707 176.870 0.018 0.000 1.145 527 L CA 0.842 55.711 54.840 0.048 0.000 0.801 527 L CB 0.105 42.045 42.059 -0.199 0.000 0.924 527 L HN 0.081 nan 8.230 nan 0.000 0.447 528 I N -2.751 117.845 120.570 0.044 0.000 4.620 528 I HA 0.085 4.255 4.170 0.001 0.000 0.347 528 I C 1.148 177.226 176.117 -0.066 0.000 1.302 528 I CA 0.085 61.385 61.300 -0.000 0.000 1.277 528 I CB 0.422 38.420 38.000 -0.004 0.000 1.566 528 I HN 0.120 nan 8.210 nan 0.000 0.547 529 E N 0.800 121.006 120.200 0.010 0.000 2.357 529 E HA 0.266 4.617 4.350 0.001 0.000 0.190 529 E C 0.760 177.376 176.600 0.027 0.000 1.022 529 E CA -0.521 55.890 56.400 0.018 0.000 1.068 529 E CB 0.164 29.921 29.700 0.096 0.000 1.465 529 E HN 0.132 nan 8.360 nan 0.000 0.503 530 R N 1.757 122.282 120.500 0.042 0.000 2.486 530 R HA -0.052 4.289 4.340 0.001 0.000 0.304 530 R C -1.904 174.412 176.300 0.026 0.000 0.913 530 R CA -0.351 55.768 56.100 0.032 0.000 1.124 530 R CB 0.583 30.904 30.300 0.035 0.000 0.891 530 R HN 0.220 nan 8.270 nan 0.000 0.410 531 P HA -0.006 nan 4.420 nan 0.000 0.212 531 P C 0.084 177.393 177.300 0.016 0.000 1.163 531 P CA 0.592 63.705 63.100 0.022 0.000 0.892 531 P CB -0.217 31.495 31.700 0.020 0.000 0.766 532 T N -1.500 113.060 114.554 0.010 0.000 2.748 532 T HA 0.166 4.517 4.350 0.001 0.000 0.304 532 T C 0.661 175.365 174.700 0.006 0.000 1.041 532 T CA -0.355 61.748 62.100 0.005 0.000 1.033 532 T CB -0.395 68.474 68.868 0.001 0.000 0.995 532 T HN 0.184 nan 8.240 nan 0.000 0.536 533 N N -0.262 118.440 118.700 0.003 0.000 5.925 533 N HA -0.129 4.612 4.740 0.001 0.000 0.361 533 N C -2.878 172.634 175.510 0.003 0.000 0.922 533 N CA 0.140 53.191 53.050 0.002 0.000 1.177 533 N CB -1.833 36.656 38.487 0.003 0.000 0.806 533 N HN 0.514 nan 8.380 nan 0.000 0.456 534 P HA 0.053 nan 4.420 nan 0.000 0.257 534 P C -2.178 175.126 177.300 0.007 0.000 1.162 534 P CA 0.029 63.129 63.100 0.001 0.000 0.762 534 P CB -0.050 31.651 31.700 0.001 0.000 0.753 535 P HA 0.223 nan 4.420 nan 0.000 0.276 535 P C 0.168 177.472 177.300 0.007 0.000 1.244 535 P CA -0.058 63.048 63.100 0.010 0.000 0.801 535 P CB 0.939 32.647 31.700 0.013 0.000 1.006 536 G N -0.049 108.765 108.800 0.025 0.000 2.417 536 G HA2 0.336 4.297 3.960 0.001 0.000 0.334 536 G HA3 0.336 4.297 3.960 0.001 0.000 0.334 536 G C 0.991 175.926 174.900 0.059 0.000 1.150 536 G CA -0.755 44.360 45.100 0.024 0.000 0.923 536 G HN 0.263 nan 8.290 nan 0.000 0.485 537 V N 1.076 121.027 119.914 0.062 0.000 2.353 537 V HA -0.267 3.854 4.120 0.001 0.000 0.260 537 V C 2.620 178.932 176.094 0.364 0.000 1.091 537 V CA 2.144 64.564 62.300 0.199 0.000 1.088 537 V CB -0.625 31.378 31.823 0.300 0.000 0.672 537 V HN 0.615 nan 8.190 nan 0.000 0.455 538 L N -1.204 120.155 121.223 0.227 0.000 2.168 538 L HA 0.034 4.375 4.340 0.001 0.000 0.203 538 L C 2.576 179.526 176.870 0.134 0.000 1.078 538 L CA 1.194 56.150 54.840 0.193 0.000 0.780 538 L CB -0.494 41.645 42.059 0.133 0.000 0.939 538 L HN 0.341 nan 8.230 nan 0.000 0.451 539 A N 0.517 123.402 122.820 0.108 0.000 1.873 539 A HA -0.264 4.057 4.320 0.001 0.000 0.218 539 A C 2.125 179.781 177.584 0.119 0.000 1.193 539 A CA 1.962 54.054 52.037 0.092 0.000 0.629 539 A CB -0.951 18.087 19.000 0.064 0.000 0.826 539 A HN 0.425 nan 8.150 nan 0.000 0.447 540 L N -1.376 119.941 121.223 0.158 0.000 1.955 540 L HA -0.226 4.114 4.340 0.001 0.000 0.213 540 L C 2.600 179.621 176.870 0.251 0.000 1.072 540 L CA 1.666 56.631 54.840 0.208 0.000 0.755 540 L CB -0.785 41.407 42.059 0.221 0.000 0.888 540 L HN 0.486 nan 8.230 nan 0.000 0.432 541 L N 0.040 121.424 121.223 0.268 0.000 2.021 541 L HA -0.316 4.024 4.340 0.001 0.000 0.215 541 L C 2.039 178.835 176.870 -0.123 0.000 1.074 541 L CA 1.961 56.616 54.840 -0.308 0.000 0.760 541 L CB -0.627 40.985 42.059 -0.744 0.000 0.889 541 L HN 0.279 nan 8.230 nan 0.000 0.433 542 D N -0.221 120.172 120.400 -0.011 0.000 2.564 542 D HA -0.302 4.339 4.640 0.001 0.000 0.209 542 D C 2.060 178.498 176.300 0.230 0.000 1.075 542 D CA 2.085 56.135 54.000 0.082 0.000 0.922 542 D CB -0.598 40.289 40.800 0.145 0.000 1.186 542 D HN 0.650 nan 8.370 nan 0.000 0.487 543 E N 1.070 121.467 120.200 0.329 0.000 2.072 543 E HA -0.216 4.135 4.350 0.001 0.000 0.191 543 E C 1.832 178.667 176.600 0.393 0.000 0.985 543 E CA 1.114 57.824 56.400 0.517 0.000 0.801 543 E CB -0.509 29.330 29.700 0.232 0.000 0.750 543 E HN 0.303 nan 8.360 nan 0.000 0.452 544 E N 1.086 121.416 120.200 0.218 0.000 2.284 544 E HA -0.198 4.153 4.350 0.001 0.000 0.200 544 E C 2.122 178.824 176.600 0.169 0.000 1.008 544 E CA 1.471 57.970 56.400 0.166 0.000 0.829 544 E CB -0.494 29.295 29.700 0.149 0.000 0.744 544 E HN 0.517 nan 8.360 nan 0.000 0.491 545 C N -1.486 117.873 119.300 0.100 0.000 2.533 545 C HA 0.109 4.569 4.460 0.001 0.000 0.272 545 C C 2.210 177.209 174.990 0.016 0.000 1.371 545 C CA -0.327 58.681 59.018 -0.016 0.000 1.758 545 C CB -1.825 25.797 27.740 -0.197 0.000 1.972 545 C HN 0.461 nan 8.230 nan 0.000 0.522 546 W N 0.006 121.355 121.300 0.081 0.000 2.595 546 W HA 0.215 4.875 4.660 0.001 0.000 0.257 546 W C 1.233 177.808 176.519 0.094 0.000 1.267 546 W CA -0.312 57.077 57.345 0.073 0.000 1.300 546 W CB -0.439 29.061 29.460 0.066 0.000 1.120 546 W HN 0.225 nan 8.180 nan 0.000 0.618 547 F N 3.461 123.530 119.950 0.198 0.000 2.471 547 F HA 0.091 4.619 4.527 0.001 0.000 0.353 547 F C -0.621 175.220 175.800 0.069 0.000 1.113 547 F CA -2.389 55.682 58.000 0.118 0.000 1.262 547 F CB 0.793 39.849 39.000 0.092 0.000 1.146 547 F HN -0.293 nan 8.300 nan 0.000 0.578 548 P HA -0.208 nan 4.420 nan 0.000 0.214 548 P C 0.301 177.599 177.300 -0.005 0.000 1.162 548 P CA 1.435 64.360 63.100 -0.291 0.000 0.879 548 P CB -0.031 31.407 31.700 -0.437 0.000 0.786 549 K N 0.347 120.870 120.400 0.205 0.000 3.100 549 K HA 0.345 4.666 4.320 0.001 0.000 0.256 549 K C -0.444 176.444 176.600 0.480 0.000 1.146 549 K CA -0.372 56.170 56.287 0.425 0.000 1.233 549 K CB -0.541 32.268 32.500 0.515 0.000 1.226 549 K HN -0.004 nan 8.250 nan 0.000 0.442 550 A N 0.972 124.047 122.820 0.424 0.000 2.305 550 A HA 0.532 4.852 4.320 0.001 0.000 0.322 550 A C -0.346 177.313 177.584 0.125 0.000 1.187 550 A CA -0.440 51.749 52.037 0.252 0.000 0.825 550 A CB 0.876 20.041 19.000 0.276 0.000 1.164 550 A HN 0.418 nan 8.150 nan 0.000 0.498 551 T N -0.437 114.169 114.554 0.087 0.000 2.864 551 T HA 0.416 4.767 4.350 0.001 0.000 0.299 551 T C 0.041 174.783 174.700 0.071 0.000 1.166 551 T CA -0.534 61.603 62.100 0.063 0.000 1.007 551 T CB 1.249 70.147 68.868 0.051 0.000 1.219 551 T HN 0.501 nan 8.240 nan 0.000 0.506 552 D N 1.400 121.837 120.400 0.061 0.000 2.154 552 D HA -0.205 4.436 4.640 0.001 0.000 0.190 552 D C 1.938 178.290 176.300 0.085 0.000 1.003 552 D CA 2.210 56.253 54.000 0.071 0.000 0.849 552 D CB -1.195 39.639 40.800 0.058 0.000 0.942 552 D HN 0.705 nan 8.370 nan 0.000 0.446 553 T N 1.708 116.286 114.554 0.041 0.000 2.443 553 T HA -0.228 4.122 4.350 0.001 0.000 0.248 553 T C 2.225 176.923 174.700 -0.002 0.000 1.247 553 T CA 2.763 64.865 62.100 0.004 0.000 1.261 553 T CB -1.024 67.846 68.868 0.002 0.000 0.867 553 T HN 0.326 nan 8.240 nan 0.000 0.394 554 S N 2.592 118.296 115.700 0.005 0.000 2.509 554 S HA -0.355 4.116 4.470 0.001 0.000 0.285 554 S C 1.609 176.200 174.600 -0.015 0.000 1.185 554 S CA 2.016 60.207 58.200 -0.014 0.000 1.152 554 S CB -1.590 61.608 63.200 -0.003 0.000 1.088 554 S HN 0.471 nan 8.310 nan 0.000 0.446 555 F N 4.034 123.915 119.950 -0.115 0.000 2.025 555 F HA -0.198 4.330 4.527 0.001 0.000 0.297 555 F C 2.323 178.004 175.800 -0.199 0.000 1.132 555 F CA 1.715 59.631 58.000 -0.140 0.000 1.191 555 F CB -1.177 37.742 39.000 -0.135 0.000 0.963 555 F HN 0.102 nan 8.300 nan 0.000 0.481 556 V N 1.762 121.287 119.914 -0.647 0.000 2.277 556 V HA -0.402 3.719 4.120 0.001 0.000 0.255 556 V C 2.512 178.295 176.094 -0.517 0.000 1.074 556 V CA 2.472 64.299 62.300 -0.788 0.000 1.058 556 V CB -1.484 30.076 31.823 -0.438 0.000 0.656 556 V HN 0.523 nan 8.190 nan 0.000 0.449 557 E N 1.003 121.023 120.200 -0.300 0.000 2.110 557 E HA -0.273 4.077 4.350 0.001 0.000 0.193 557 E C 2.066 178.550 176.600 -0.193 0.000 0.988 557 E CA 1.568 57.855 56.400 -0.188 0.000 0.804 557 E CB -0.390 29.237 29.700 -0.121 0.000 0.745 557 E HN 0.667 nan 8.360 nan 0.000 0.458 558 K N 0.667 120.927 120.400 -0.233 0.000 2.026 558 K HA -0.122 4.199 4.320 0.001 0.000 0.208 558 K C 2.291 178.751 176.600 -0.234 0.000 1.048 558 K CA 0.728 56.902 56.287 -0.188 0.000 0.929 558 K CB -0.228 32.188 32.500 -0.139 0.000 0.713 558 K HN -0.008 nan 8.250 nan 0.000 0.439 559 L N 0.975 121.951 121.223 -0.411 0.000 2.043 559 L HA -0.217 4.124 4.340 0.001 0.000 0.212 559 L C 1.911 178.606 176.870 -0.290 0.000 1.075 559 L CA 1.729 56.299 54.840 -0.450 0.000 0.752 559 L CB -0.265 41.358 42.059 -0.727 0.000 0.891 559 L HN 0.263 nan 8.230 nan 0.000 0.432 560 I N -2.400 118.093 120.570 -0.129 0.000 2.500 560 I HA -0.203 3.968 4.170 0.001 0.000 0.252 560 I C 2.222 178.340 176.117 0.001 0.000 1.142 560 I CA 0.595 61.934 61.300 0.065 0.000 1.451 560 I CB -0.619 37.437 38.000 0.094 0.000 1.093 560 I HN 0.233 nan 8.210 nan 0.000 0.430 561 Q N 0.906 120.671 119.800 -0.059 0.000 2.449 561 Q HA -0.222 4.119 4.340 0.001 0.000 0.214 561 Q C 1.129 177.105 176.000 -0.040 0.000 0.986 561 Q CA 1.457 57.231 55.803 -0.048 0.000 0.893 561 Q CB 0.137 28.834 28.738 -0.068 0.000 0.940 561 Q HN 0.650 nan 8.270 nan 0.000 0.477 562 E N -2.420 117.748 120.200 -0.053 0.000 2.661 562 E HA -0.002 4.348 4.350 0.001 0.000 0.202 562 E C 0.974 177.551 176.600 -0.038 0.000 0.911 562 E CA 0.025 56.399 56.400 -0.043 0.000 1.581 562 E CB 0.231 29.898 29.700 -0.055 0.000 1.667 562 E HN -0.043 nan 8.360 nan 0.000 0.911 563 Q N 0.361 120.101 119.800 -0.100 0.000 2.356 563 Q HA 0.178 4.519 4.340 0.001 0.000 0.205 563 Q C 1.644 177.714 176.000 0.117 0.000 0.901 563 Q CA 0.688 56.419 55.803 -0.119 0.000 0.938 563 Q CB 0.409 28.859 28.738 -0.480 0.000 1.081 563 Q HN 0.313 nan 8.270 nan 0.000 0.517 564 G N 0.666 109.597 108.800 0.218 0.000 2.591 564 G HA2 -0.242 3.719 3.960 0.001 0.000 0.218 564 G HA3 -0.242 3.719 3.960 0.001 0.000 0.218 564 G C 0.940 176.016 174.900 0.292 0.000 1.113 564 G CA 0.643 45.973 45.100 0.382 0.000 0.740 564 G HN 0.263 nan 8.290 nan 0.000 0.569 565 N N -0.540 118.297 118.700 0.227 0.000 2.458 565 N HA 0.101 4.841 4.740 0.001 0.000 0.274 565 N C -1.010 174.617 175.510 0.194 0.000 1.242 565 N CA -0.150 52.998 53.050 0.164 0.000 0.904 565 N CB 0.317 38.853 38.487 0.081 0.000 1.206 565 N HN 0.501 nan 8.380 nan 0.000 0.510 566 H N -0.381 118.818 119.070 0.215 0.000 2.481 566 H HA 0.403 4.959 4.556 0.001 0.000 0.333 566 H C 1.001 176.452 175.328 0.206 0.000 1.066 566 H CA -0.445 55.718 56.048 0.192 0.000 1.209 566 H CB 1.722 31.595 29.762 0.185 0.000 1.445 566 H HN 0.138 nan 8.280 nan 0.000 0.488 567 A N 4.426 127.538 122.820 0.488 0.000 1.849 567 A HA -0.199 4.122 4.320 0.001 0.000 0.217 567 A C 1.955 179.699 177.584 0.267 0.000 1.202 567 A CA 1.348 53.571 52.037 0.311 0.000 0.629 567 A CB -0.277 18.870 19.000 0.245 0.000 0.834 567 A HN 0.642 nan 8.150 nan 0.000 0.447 568 K N -1.186 119.375 120.400 0.269 0.000 2.589 568 K HA 0.031 4.352 4.320 0.001 0.000 0.195 568 K C -0.195 176.440 176.600 0.058 0.000 1.040 568 K CA 0.118 56.436 56.287 0.051 0.000 0.950 568 K CB -0.772 31.681 32.500 -0.079 0.000 0.781 568 K HN 0.458 nan 8.250 nan 0.000 0.486 569 F N 0.596 120.511 119.950 -0.058 0.000 2.492 569 F HA 0.369 4.897 4.527 0.001 0.000 0.327 569 F C -0.623 175.212 175.800 0.059 0.000 1.079 569 F CA -1.102 56.900 58.000 0.003 0.000 0.967 569 F CB 1.302 40.326 39.000 0.041 0.000 1.169 569 F HN -0.159 nan 8.300 nan 0.000 0.472 570 Q N 3.984 123.353 119.800 -0.719 0.000 2.320 570 Q HA 0.196 4.536 4.340 0.001 0.000 0.272 570 Q C -1.312 174.306 176.000 -0.637 0.000 1.023 570 Q CA -1.024 54.451 55.803 -0.547 0.000 0.855 570 Q CB 2.748 31.364 28.738 -0.203 0.000 1.367 570 Q HN 0.604 nan 8.270 nan 0.000 0.406 571 K N 1.415 121.544 120.400 -0.452 0.000 2.412 571 K HA 0.120 4.440 4.320 0.001 0.000 0.284 571 K C 0.074 176.594 176.600 -0.134 0.000 1.046 571 K CA 0.173 56.297 56.287 -0.272 0.000 0.999 571 K CB 0.776 33.178 32.500 -0.163 0.000 0.941 571 K HN 0.524 nan 8.250 nan 0.000 0.474 572 S N 3.045 118.708 115.700 -0.063 0.000 2.599 572 S HA -0.089 4.382 4.470 0.001 0.000 0.303 572 S C 0.828 175.413 174.600 -0.024 0.000 1.267 572 S CA 0.391 58.584 58.200 -0.011 0.000 1.055 572 S CB 0.436 63.658 63.200 0.037 0.000 0.790 572 S HN 0.558 nan 8.310 nan 0.000 0.500 573 K N 2.267 122.656 120.400 -0.019 0.000 2.067 573 K HA 0.066 4.386 4.320 0.001 0.000 0.203 573 K C 0.397 176.992 176.600 -0.008 0.000 1.048 573 K CA 0.892 57.168 56.287 -0.018 0.000 0.954 573 K CB 0.061 32.551 32.500 -0.017 0.000 0.737 573 K HN 0.656 nan 8.250 nan 0.000 0.444 574 Q N 0.829 120.629 119.800 -0.001 0.000 2.322 574 Q HA 0.272 4.613 4.340 0.001 0.000 0.265 574 Q C -0.344 175.662 176.000 0.011 0.000 0.985 574 Q CA -0.143 55.662 55.803 0.004 0.000 0.849 574 Q CB 1.951 30.693 28.738 0.006 0.000 1.274 574 Q HN 0.140 nan 8.270 nan 0.000 0.449 575 L N 3.491 124.719 121.223 0.008 0.000 3.154 575 L HA 0.080 4.420 4.340 0.001 0.000 0.266 575 L C 1.438 178.315 176.870 0.012 0.000 1.300 575 L CA -0.010 54.837 54.840 0.011 0.000 1.028 575 L CB 0.064 42.126 42.059 0.004 0.000 1.412 575 L HN 0.730 nan 8.230 nan 0.000 0.564 576 K N -0.573 119.836 120.400 0.014 0.000 2.113 576 K HA -0.304 4.017 4.320 0.001 0.000 0.224 576 K C 0.247 176.857 176.600 0.015 0.000 0.975 576 K CA 2.480 58.776 56.287 0.015 0.000 0.973 576 K CB -0.147 32.364 32.500 0.019 0.000 0.867 576 K HN 0.309 nan 8.250 nan 0.000 0.470 577 D N -0.914 119.498 120.400 0.019 0.000 2.097 577 D HA 0.154 4.795 4.640 0.001 0.000 0.325 577 D C 0.457 176.769 176.300 0.020 0.000 1.087 577 D CA -0.010 54.001 54.000 0.019 0.000 0.917 577 D CB 0.504 41.318 40.800 0.023 0.000 1.784 577 D HN 0.117 nan 8.370 nan 0.000 0.532 578 K N 0.551 120.967 120.400 0.026 0.000 2.720 578 K HA 0.493 4.814 4.320 0.001 0.000 0.281 578 K C -0.318 176.295 176.600 0.022 0.000 1.019 578 K CA -0.262 56.041 56.287 0.027 0.000 1.088 578 K CB 1.126 33.649 32.500 0.039 0.000 1.449 578 K HN 0.002 nan 8.250 nan 0.000 0.542 579 T N -0.874 113.693 114.554 0.021 0.000 2.841 579 T HA 0.582 4.933 4.350 0.001 0.000 0.283 579 T C -1.055 173.674 174.700 0.047 0.000 1.000 579 T CA -0.854 61.254 62.100 0.013 0.000 0.977 579 T CB 1.472 70.324 68.868 -0.025 0.000 0.979 579 T HN 0.609 nan 8.240 nan 0.000 0.446 580 E N 1.727 121.988 120.200 0.100 0.000 2.460 580 E HA 0.805 5.156 4.350 0.001 0.000 0.277 580 E C -1.443 175.390 176.600 0.388 0.000 1.010 580 E CA -1.236 55.311 56.400 0.245 0.000 0.838 580 E CB 1.647 31.434 29.700 0.146 0.000 1.448 580 E HN 0.655 nan 8.360 nan 0.000 0.462 581 F N -1.581 118.393 119.950 0.041 0.000 2.678 581 F HA 0.747 5.274 4.527 0.001 0.000 0.308 581 F C -1.392 174.518 175.800 0.184 0.000 1.118 581 F CA -2.009 56.030 58.000 0.065 0.000 0.959 581 F CB 0.476 39.545 39.000 0.114 0.000 1.305 581 F HN 0.724 nan 8.300 nan 0.000 0.443 582 C N 1.781 121.112 119.300 0.051 0.000 2.561 582 C HA 0.908 5.369 4.460 0.001 0.000 0.319 582 C C -0.175 174.860 174.990 0.074 0.000 1.198 582 C CA -0.992 58.030 59.018 0.008 0.000 1.665 582 C CB 0.990 28.713 27.740 -0.028 0.000 2.258 582 C HN 0.811 nan 8.230 nan 0.000 0.493 583 I N 1.353 121.981 120.570 0.097 0.000 2.603 583 I HA 0.348 4.519 4.170 0.001 0.000 0.300 583 I C -0.156 175.933 176.117 -0.047 0.000 1.017 583 I CA -0.616 60.704 61.300 0.034 0.000 1.098 583 I CB 1.403 39.351 38.000 -0.086 0.000 1.279 583 I HN 0.505 nan 8.210 nan 0.000 0.437 584 L N 5.485 126.705 121.223 -0.004 0.000 2.536 584 L HA 0.242 4.583 4.340 0.001 0.000 0.242 584 L C 0.415 177.356 176.870 0.118 0.000 1.280 584 L CA -0.384 54.489 54.840 0.055 0.000 1.221 584 L CB -1.259 40.844 42.059 0.073 0.000 1.449 584 L HN 0.584 nan 8.230 nan 0.000 0.405 585 H N 0.389 119.591 119.070 0.221 0.000 2.765 585 H HA -0.116 4.440 4.556 0.001 0.000 0.385 585 H C 0.932 176.375 175.328 0.192 0.000 1.562 585 H CA 0.594 56.806 56.048 0.273 0.000 1.473 585 H CB 0.593 30.582 29.762 0.379 0.000 1.536 585 H HN 0.419 nan 8.280 nan 0.000 0.610 586 Y N -1.093 119.284 120.300 0.127 0.000 2.395 586 Y HA 0.214 4.765 4.550 0.001 0.000 0.293 586 Y C 1.828 177.635 175.900 -0.155 0.000 1.123 586 Y CA 0.668 58.763 58.100 -0.009 0.000 1.227 586 Y CB -0.602 37.840 38.460 -0.030 0.000 1.012 586 Y HN 0.411 nan 8.280 nan 0.000 0.552 587 A N 0.084 122.161 122.820 -1.238 0.000 2.238 587 A HA 0.644 4.965 4.320 0.001 0.000 0.210 587 A C 1.358 178.471 177.584 -0.786 0.000 1.179 587 A CA 0.675 51.719 52.037 -1.656 0.000 0.827 587 A CB -0.760 16.372 19.000 -3.112 0.000 0.856 587 A HN 0.858 nan 8.150 nan 0.000 0.488 588 G N -0.784 107.881 108.800 -0.225 0.000 2.302 588 G HA2 0.288 4.248 3.960 0.001 0.000 0.264 588 G HA3 0.288 4.248 3.960 0.001 0.000 0.264 588 G C -1.342 173.709 174.900 0.252 0.000 1.335 588 G CA -0.236 44.918 45.100 0.090 0.000 0.982 588 G HN 0.341 nan 8.290 nan 0.000 0.473 589 K N -0.035 120.492 120.400 0.212 0.000 2.324 589 K HA 0.714 5.035 4.320 0.001 0.000 0.253 589 K C -1.236 175.426 176.600 0.104 0.000 0.932 589 K CA -0.556 55.815 56.287 0.139 0.000 0.799 589 K CB 1.981 34.517 32.500 0.060 0.000 1.154 589 K HN 0.862 nan 8.250 nan 0.000 0.425 590 V N 2.098 122.019 119.914 0.013 0.000 2.569 590 V HA 0.268 4.388 4.120 0.001 0.000 0.301 590 V C -0.333 175.528 176.094 -0.389 0.000 1.044 590 V CA -0.989 61.171 62.300 -0.233 0.000 0.874 590 V CB 1.614 33.165 31.823 -0.454 0.000 1.002 590 V HN 0.795 nan 8.190 nan 0.000 0.424 591 T N 4.303 118.689 114.554 -0.280 0.000 3.414 591 T HA 0.408 4.759 4.350 0.001 0.000 0.304 591 T C -0.216 174.364 174.700 -0.200 0.000 1.241 591 T CA -0.061 61.930 62.100 -0.182 0.000 1.076 591 T CB -0.906 67.919 68.868 -0.071 0.000 1.134 591 T HN 0.435 nan 8.240 nan 0.000 0.759 592 Y N 1.699 121.870 120.300 -0.215 0.000 2.379 592 Y HA 0.150 4.701 4.550 0.001 0.000 0.337 592 Y C 1.236 177.138 175.900 0.004 0.000 1.238 592 Y CA -0.843 57.210 58.100 -0.078 0.000 1.405 592 Y CB 0.471 38.875 38.460 -0.094 0.000 1.310 592 Y HN 0.461 nan 8.280 nan 0.000 0.569 593 N N 1.522 120.407 118.700 0.309 0.000 2.621 593 N HA 0.278 5.019 4.740 0.001 0.000 0.237 593 N C 0.216 175.740 175.510 0.025 0.000 0.997 593 N CA -0.095 53.066 53.050 0.186 0.000 0.918 593 N CB 0.992 39.583 38.487 0.172 0.000 1.122 593 N HN 0.881 nan 8.380 nan 0.000 0.510 594 A N 2.602 125.223 122.820 -0.331 0.000 2.245 594 A HA -0.112 4.209 4.320 0.001 0.000 0.217 594 A C 1.152 178.453 177.584 -0.472 0.000 1.171 594 A CA 0.566 51.920 52.037 -1.138 0.000 0.688 594 A CB -0.422 18.217 19.000 -0.600 0.000 0.781 594 A HN 0.668 nan 8.150 nan 0.000 0.479 595 S N -0.369 115.294 115.700 -0.062 0.000 2.596 595 S HA 0.303 4.774 4.470 0.001 0.000 0.298 595 S C 0.990 175.745 174.600 0.258 0.000 1.255 595 S CA 0.648 58.912 58.200 0.105 0.000 1.083 595 S CB -0.168 63.103 63.200 0.119 0.000 0.837 595 S HN 2.086 nan 8.310 nan 0.000 0.499 596 A N 3.666 126.613 122.820 0.211 0.000 2.905 596 A HA -0.157 4.164 4.320 0.001 0.000 0.260 596 A C 0.871 178.627 177.584 0.286 0.000 1.398 596 A CA 1.303 53.478 52.037 0.230 0.000 0.840 596 A CB -2.631 16.511 19.000 0.236 0.000 1.059 596 A HN 0.971 nan 8.150 nan 0.000 0.647 597 W N -0.283 120.977 121.300 -0.067 0.000 2.418 597 W HA 0.101 4.761 4.660 0.001 0.000 0.319 597 W C 2.170 178.462 176.519 -0.378 0.000 1.183 597 W CA 2.013 59.207 57.345 -0.251 0.000 1.327 597 W CB -1.106 28.147 29.460 -0.345 0.000 1.163 597 W HN 0.611 nan 8.180 nan 0.000 0.479 598 L N -0.772 120.381 121.223 -0.117 0.000 2.353 598 L HA -0.067 4.274 4.340 0.001 0.000 0.220 598 L C 1.702 178.505 176.870 -0.112 0.000 1.133 598 L CA 1.804 56.520 54.840 -0.207 0.000 0.798 598 L CB -2.238 39.714 42.059 -0.179 0.000 0.922 598 L HN -0.185 nan 8.230 nan 0.000 0.445 599 T N -0.373 114.176 114.554 -0.008 0.000 2.962 599 T HA -0.070 4.281 4.350 0.001 0.000 0.270 599 T C 1.630 176.393 174.700 0.105 0.000 1.088 599 T CA 1.563 63.712 62.100 0.082 0.000 1.127 599 T CB -0.102 68.876 68.868 0.183 0.000 0.883 599 T HN 0.516 nan 8.240 nan 0.000 0.493 600 K N 0.233 120.639 120.400 0.011 0.000 2.435 600 K HA 0.227 4.548 4.320 0.001 0.000 0.199 600 K C 1.856 178.425 176.600 -0.051 0.000 1.153 600 K CA -0.146 56.147 56.287 0.010 0.000 0.974 600 K CB 0.059 32.578 32.500 0.033 0.000 0.997 600 K HN -0.069 nan 8.250 nan 0.000 0.547 601 N N 1.382 119.978 118.700 -0.172 0.000 2.430 601 N HA -0.139 4.602 4.740 0.001 0.000 0.186 601 N C 1.328 176.748 175.510 -0.151 0.000 1.032 601 N CA 1.297 54.230 53.050 -0.196 0.000 0.893 601 N CB 0.161 38.433 38.487 -0.358 0.000 0.957 601 N HN 0.169 nan 8.380 nan 0.000 0.442 602 M N -0.527 118.972 119.600 -0.169 0.000 2.461 602 M HA 0.097 4.577 4.480 0.001 0.000 0.255 602 M C -0.553 175.696 176.300 -0.085 0.000 1.137 602 M CA 0.281 55.454 55.300 -0.211 0.000 1.086 602 M CB 0.444 32.852 32.600 -0.319 0.000 1.356 602 M HN -0.085 nan 8.290 nan 0.000 0.487 603 D N 0.908 121.296 120.400 -0.020 0.000 2.718 603 D HA -0.100 4.540 4.640 0.001 0.000 0.242 603 D C -2.370 173.969 176.300 0.064 0.000 1.123 603 D CA 0.261 54.280 54.000 0.032 0.000 0.690 603 D CB -0.418 40.402 40.800 0.034 0.000 1.059 603 D HN 0.206 nan 8.370 nan 0.000 0.429 604 P HA 0.310 nan 4.420 nan 0.000 0.267 604 P C -0.054 177.362 177.300 0.194 0.000 1.200 604 P CA -0.040 63.153 63.100 0.154 0.000 0.772 604 P CB 0.723 32.562 31.700 0.232 0.000 0.855 605 L N -0.793 120.529 121.223 0.165 0.000 2.781 605 L HA 0.372 4.713 4.340 0.001 0.000 0.256 605 L C -0.813 176.131 176.870 0.123 0.000 0.930 605 L CA -0.869 54.067 54.840 0.161 0.000 0.967 605 L CB 1.382 43.528 42.059 0.145 0.000 1.551 605 L HN 0.139 nan 8.230 nan 0.000 0.445 606 N N 3.112 121.887 118.700 0.124 0.000 2.383 606 N HA -0.078 4.663 4.740 0.001 0.000 0.295 606 N C 0.266 175.804 175.510 0.046 0.000 1.281 606 N CA 0.699 53.800 53.050 0.086 0.000 1.048 606 N CB 0.401 38.950 38.487 0.104 0.000 1.455 606 N HN 0.893 nan 8.380 nan 0.000 0.488 607 D N 2.168 122.590 120.400 0.036 0.000 2.371 607 D HA -0.146 4.495 4.640 0.001 0.000 0.221 607 D C 1.068 177.356 176.300 -0.019 0.000 0.986 607 D CA 0.370 54.376 54.000 0.008 0.000 0.899 607 D CB -0.300 40.514 40.800 0.024 0.000 0.902 607 D HN 0.476 nan 8.370 nan 0.000 0.530 608 N N 0.348 119.046 118.700 -0.002 0.000 2.025 608 N HA -0.163 4.578 4.740 0.001 0.000 0.194 608 N C 1.860 177.358 175.510 -0.021 0.000 1.044 608 N CA 1.667 54.715 53.050 -0.004 0.000 0.851 608 N CB 0.047 38.542 38.487 0.013 0.000 1.036 608 N HN 0.108 nan 8.380 nan 0.000 0.422 609 V N 0.933 120.841 119.914 -0.010 0.000 2.548 609 V HA -0.139 3.982 4.120 0.001 0.000 0.249 609 V C 2.089 178.030 176.094 -0.254 0.000 1.055 609 V CA 1.780 64.046 62.300 -0.058 0.000 1.065 609 V CB -0.692 31.152 31.823 0.034 0.000 0.681 609 V HN 0.314 nan 8.190 nan 0.000 0.462 610 T N 1.006 115.400 114.554 -0.267 0.000 2.592 610 T HA -0.223 4.128 4.350 0.001 0.000 0.267 610 T C 1.858 176.368 174.700 -0.317 0.000 1.060 610 T CA 2.538 64.399 62.100 -0.397 0.000 1.167 610 T CB -0.420 68.351 68.868 -0.162 0.000 0.863 610 T HN 0.691 nan 8.240 nan 0.000 0.431 611 S N 1.075 116.680 115.700 -0.159 0.000 2.522 611 S HA 0.100 4.571 4.470 0.001 0.000 0.227 611 S C 1.823 176.350 174.600 -0.121 0.000 0.986 611 S CA 0.272 58.408 58.200 -0.106 0.000 0.929 611 S CB -0.262 62.905 63.200 -0.055 0.000 0.769 611 S HN 0.425 nan 8.310 nan 0.000 0.529 612 L N 0.567 121.699 121.223 -0.153 0.000 2.313 612 L HA 0.233 4.573 4.340 0.001 0.000 0.214 612 L C 1.759 178.516 176.870 -0.188 0.000 1.119 612 L CA 1.204 55.966 54.840 -0.130 0.000 0.809 612 L CB -0.139 41.863 42.059 -0.095 0.000 0.933 612 L HN 0.226 nan 8.230 nan 0.000 0.449 613 L N -0.393 120.642 121.223 -0.313 0.000 2.145 613 L HA -0.069 4.272 4.340 0.001 0.000 0.201 613 L C 2.215 178.950 176.870 -0.225 0.000 1.075 613 L CA 1.262 55.866 54.840 -0.393 0.000 0.773 613 L CB -0.421 41.116 42.059 -0.871 0.000 0.936 613 L HN 0.397 nan 8.230 nan 0.000 0.451 614 N N 0.021 118.614 118.700 -0.179 0.000 2.242 614 N HA -0.283 4.458 4.740 0.001 0.000 0.191 614 N C 1.081 176.573 175.510 -0.029 0.000 1.005 614 N CA 1.256 54.283 53.050 -0.038 0.000 0.877 614 N CB 0.137 38.612 38.487 -0.021 0.000 0.983 614 N HN 0.267 nan 8.380 nan 0.000 0.439 615 Q N -0.166 119.600 119.800 -0.056 0.000 2.324 615 Q HA 0.210 4.551 4.340 0.001 0.000 0.373 615 Q C -1.172 174.801 176.000 -0.045 0.000 0.909 615 Q CA -0.463 55.318 55.803 -0.037 0.000 1.135 615 Q CB 0.861 29.579 28.738 -0.033 0.000 1.313 615 Q HN 0.260 nan 8.270 nan 0.000 0.417 616 S N -1.386 114.284 115.700 -0.050 0.000 2.672 616 S HA 0.268 4.739 4.470 0.001 0.000 0.276 616 S C 1.301 175.890 174.600 -0.018 0.000 1.207 616 S CA 0.078 58.247 58.200 -0.051 0.000 1.002 616 S CB 1.602 64.756 63.200 -0.076 0.000 0.998 616 S HN 0.380 nan 8.310 nan 0.000 0.542 617 S N 0.938 116.629 115.700 -0.015 0.000 2.406 617 S HA -0.076 4.395 4.470 0.001 0.000 0.228 617 S C 0.673 175.288 174.600 0.025 0.000 1.020 617 S CA 0.878 59.079 58.200 0.002 0.000 0.965 617 S CB -0.679 62.517 63.200 -0.007 0.000 0.798 617 S HN 0.804 nan 8.310 nan 0.000 0.488 618 D N 2.500 122.920 120.400 0.033 0.000 2.482 618 D HA 0.077 4.717 4.640 0.001 0.000 0.244 618 D C 1.148 177.503 176.300 0.091 0.000 1.242 618 D CA 0.081 54.124 54.000 0.072 0.000 1.097 618 D CB 0.124 40.974 40.800 0.084 0.000 1.109 618 D HN 0.314 nan 8.370 nan 0.000 0.510 619 K N 2.847 123.301 120.400 0.091 0.000 2.071 619 K HA -0.266 4.054 4.320 0.001 0.000 0.217 619 K C 1.772 178.451 176.600 0.130 0.000 1.054 619 K CA 1.228 57.573 56.287 0.097 0.000 0.937 619 K CB -0.390 32.169 32.500 0.098 0.000 0.719 619 K HN 0.423 nan 8.250 nan 0.000 0.454 620 F N 1.406 121.353 119.950 -0.006 0.000 2.087 620 F HA -0.243 4.285 4.527 0.001 0.000 0.299 620 F C 2.050 177.822 175.800 -0.046 0.000 1.100 620 F CA 1.631 59.600 58.000 -0.051 0.000 1.226 620 F CB -0.405 38.519 39.000 -0.127 0.000 0.983 620 F HN -0.157 nan 8.300 nan 0.000 0.479 621 V N -0.031 119.880 119.914 -0.006 0.000 2.871 621 V HA -0.108 4.013 4.120 0.001 0.000 0.256 621 V C 2.503 178.670 176.094 0.121 0.000 1.082 621 V CA 1.169 63.468 62.300 -0.001 0.000 1.105 621 V CB -1.310 30.577 31.823 0.108 0.000 0.713 621 V HN 0.468 nan 8.190 nan 0.000 0.473 622 A N 0.422 123.283 122.820 0.067 0.000 1.897 622 A HA -0.153 4.168 4.320 0.001 0.000 0.215 622 A C 1.899 179.522 177.584 0.066 0.000 1.181 622 A CA 1.688 53.768 52.037 0.072 0.000 0.620 622 A CB -0.457 18.571 19.000 0.046 0.000 0.821 622 A HN 0.502 nan 8.150 nan 0.000 0.443 623 D N -0.334 120.078 120.400 0.020 0.000 2.269 623 D HA -0.035 4.606 4.640 0.001 0.000 0.208 623 D C 1.693 177.968 176.300 -0.041 0.000 0.963 623 D CA 0.485 54.490 54.000 0.009 0.000 0.864 623 D CB -0.226 40.605 40.800 0.051 0.000 0.936 623 D HN 0.341 nan 8.370 nan 0.000 0.505 624 L N -1.058 120.080 121.223 -0.141 0.000 2.005 624 L HA -0.090 4.250 4.340 0.001 0.000 0.207 624 L C 1.116 177.825 176.870 -0.270 0.000 1.072 624 L CA 1.335 55.997 54.840 -0.297 0.000 0.744 624 L CB -0.072 41.699 42.059 -0.480 0.000 0.895 624 L HN 0.123 nan 8.230 nan 0.000 0.433 625 W N -1.298 119.929 121.300 -0.122 0.000 3.123 625 W HA 0.218 4.879 4.660 0.001 0.000 0.383 625 W C 2.036 178.515 176.519 -0.067 0.000 1.102 625 W CA -0.321 56.971 57.345 -0.087 0.000 1.865 625 W CB -0.328 29.081 29.460 -0.085 0.000 1.111 625 W HN 0.009 nan 8.180 nan 0.000 0.621 626 K N 1.491 121.963 120.400 0.120 0.000 2.127 626 K HA -0.207 4.114 4.320 0.001 0.000 0.208 626 K C -0.430 176.197 176.600 0.045 0.000 1.047 626 K CA 1.943 58.268 56.287 0.064 0.000 0.927 626 K CB -0.244 32.273 32.500 0.028 0.000 0.716 626 K HN 0.042 nan 8.250 nan 0.000 0.450 627 D N 0.717 121.136 120.400 0.032 0.000 2.493 627 D HA 0.083 4.723 4.640 0.001 0.000 0.235 627 D C -1.113 175.208 176.300 0.035 0.000 1.117 627 D CA -0.231 53.778 54.000 0.014 0.000 0.930 627 D CB 1.840 42.632 40.800 -0.014 0.000 1.010 627 D HN 0.081 nan 8.370 nan 0.000 0.514 628 V N 1.012 120.960 119.914 0.056 0.000 2.737 628 V HA 0.219 4.339 4.120 0.001 0.000 0.320 628 V C -0.395 175.722 176.094 0.038 0.000 1.174 628 V CA -0.378 61.971 62.300 0.081 0.000 1.355 628 V CB 0.372 32.277 31.823 0.136 0.000 1.558 628 V HN 0.186 nan 8.190 nan 0.000 0.618 629 D N 1.042 121.445 120.400 0.005 0.000 2.388 629 D HA 0.295 4.936 4.640 0.001 0.000 0.221 629 D C 1.510 177.780 176.300 -0.049 0.000 1.133 629 D CA 0.139 54.123 54.000 -0.027 0.000 0.831 629 D CB 0.370 41.141 40.800 -0.048 0.000 0.962 629 D HN 0.395 nan 8.370 nan 0.000 0.502 630 R N 0.091 120.584 120.500 -0.012 0.000 2.487 630 R HA 0.145 4.486 4.340 0.001 0.000 0.272 630 R C 0.299 176.627 176.300 0.047 0.000 0.928 630 R CA -0.288 55.810 56.100 -0.004 0.000 1.077 630 R CB 0.948 31.260 30.300 0.019 0.000 1.265 630 R HN 0.055 nan 8.270 nan 0.000 0.537 631 I N 2.155 122.761 120.570 0.060 0.000 3.161 631 I HA -0.054 4.117 4.170 0.001 0.000 0.284 631 I C 0.692 176.850 176.117 0.069 0.000 1.252 631 I CA 0.292 61.642 61.300 0.082 0.000 1.374 631 I CB 0.339 38.395 38.000 0.093 0.000 1.359 631 I HN -0.263 nan 8.210 nan 0.000 0.606 632 V N 3.123 123.081 119.914 0.074 0.000 2.407 632 V HA 0.590 4.711 4.120 0.001 0.000 0.278 632 V C 0.879 177.006 176.094 0.055 0.000 1.037 632 V CA -0.223 62.115 62.300 0.064 0.000 0.900 632 V CB 0.794 32.651 31.823 0.058 0.000 0.983 632 V HN 1.014 nan 8.190 nan 0.000 0.459 633 G N 3.214 112.042 108.800 0.046 0.000 2.801 633 G HA2 0.224 4.185 3.960 0.001 0.000 0.213 633 G HA3 0.224 4.185 3.960 0.001 0.000 0.213 633 G C 0.117 175.035 174.900 0.030 0.000 1.052 633 G CA -0.075 45.045 45.100 0.034 0.000 0.868 633 G HN 0.507 nan 8.290 nan 0.000 0.589 657 R N 0.816 121.455 120.500 0.231 0.000 2.664 657 R HA 0.522 4.863 4.340 0.001 0.000 0.286 657 R C -0.850 175.548 176.300 0.164 0.000 0.967 657 R CA -0.168 55.995 56.100 0.106 0.000 0.933 657 R CB 1.540 31.831 30.300 -0.017 0.000 1.146 657 R HN 0.319 nan 8.270 nan 0.000 0.468 658 T N 1.708 116.360 114.554 0.164 0.000 2.869 658 T HA 0.104 4.455 4.350 0.001 0.000 0.295 658 T C 1.406 176.169 174.700 0.104 0.000 0.987 658 T CA -0.347 61.816 62.100 0.105 0.000 1.109 658 T CB 0.707 69.657 68.868 0.136 0.000 0.932 658 T HN 0.304 nan 8.240 nan 0.000 0.518 659 V N 5.557 125.524 119.914 0.089 0.000 2.250 659 V HA -0.191 3.929 4.120 0.001 0.000 0.253 659 V C 2.612 178.825 176.094 0.198 0.000 1.065 659 V CA 2.809 65.190 62.300 0.136 0.000 1.039 659 V CB -1.275 30.639 31.823 0.152 0.000 0.647 659 V HN 1.117 nan 8.190 nan 0.000 0.446 660 G N -1.446 107.487 108.800 0.222 0.000 2.631 660 G HA2 -0.449 3.512 3.960 0.001 0.000 0.219 660 G HA3 -0.449 3.512 3.960 0.001 0.000 0.219 660 G C 1.469 176.493 174.900 0.206 0.000 1.214 660 G CA 1.450 46.704 45.100 0.257 0.000 0.785 660 G HN 0.553 nan 8.290 nan 0.000 0.596 661 Q N -0.433 119.452 119.800 0.141 0.000 2.172 661 Q HA 0.104 4.445 4.340 0.001 0.000 0.200 661 Q C 2.358 178.419 176.000 0.102 0.000 0.964 661 Q CA 0.834 56.695 55.803 0.096 0.000 0.855 661 Q CB -0.394 28.384 28.738 0.068 0.000 0.918 661 Q HN 0.376 nan 8.270 nan 0.000 0.444 662 L N -0.199 121.101 121.223 0.129 0.000 2.079 662 L HA -0.161 4.180 4.340 0.001 0.000 0.210 662 L C 1.968 178.953 176.870 0.191 0.000 1.081 662 L CA 1.766 56.684 54.840 0.130 0.000 0.752 662 L CB -0.782 41.356 42.059 0.132 0.000 0.896 662 L HN 0.417 nan 8.230 nan 0.000 0.433 663 Y N 0.608 120.960 120.300 0.086 0.000 2.109 663 Y HA -0.196 4.355 4.550 0.001 0.000 0.281 663 Y C 2.509 178.478 175.900 0.116 0.000 1.113 663 Y CA 1.928 60.092 58.100 0.108 0.000 1.098 663 Y CB -0.775 37.747 38.460 0.104 0.000 0.996 663 Y HN 0.097 nan 8.280 nan 0.000 0.485 664 K N 1.139 121.447 120.400 -0.154 0.000 2.520 664 K HA -0.248 4.072 4.320 0.001 0.000 0.197 664 K C 1.583 178.121 176.600 -0.103 0.000 1.044 664 K CA 1.693 57.845 56.287 -0.225 0.000 0.938 664 K CB -0.264 32.200 32.500 -0.061 0.000 0.767 664 K HN 0.652 nan 8.250 nan 0.000 0.481 665 E N -0.096 120.088 120.200 -0.027 0.000 2.400 665 E HA -0.115 4.236 4.350 0.001 0.000 0.195 665 E C 1.805 178.406 176.600 0.001 0.000 1.012 665 E CA 0.253 56.651 56.400 -0.005 0.000 0.875 665 E CB 0.289 30.002 29.700 0.022 0.000 0.859 665 E HN 0.500 nan 8.360 nan 0.000 0.498 666 Q N -0.238 119.577 119.800 0.024 0.000 2.431 666 Q HA 0.030 4.371 4.340 0.001 0.000 0.244 666 Q C 1.655 177.680 176.000 0.040 0.000 0.880 666 Q CA 0.005 55.853 55.803 0.074 0.000 0.954 666 Q CB 0.058 28.903 28.738 0.180 0.000 1.105 666 Q HN 0.226 nan 8.270 nan 0.000 0.558 667 L N 1.801 122.963 121.223 -0.102 0.000 2.650 667 L HA 0.116 4.457 4.340 0.001 0.000 0.235 667 L C 1.056 177.796 176.870 -0.216 0.000 1.149 667 L CA 1.364 56.049 54.840 -0.258 0.000 0.887 667 L CB 0.137 41.769 42.059 -0.713 0.000 1.021 667 L HN 0.450 nan 8.230 nan 0.000 0.441 668 T N -5.173 109.301 114.554 -0.134 0.000 3.000 668 T HA 0.032 4.383 4.350 0.001 0.000 0.248 668 T C 1.808 176.459 174.700 -0.083 0.000 1.034 668 T CA 0.064 62.103 62.100 -0.101 0.000 1.060 668 T CB 0.046 68.873 68.868 -0.069 0.000 0.983 668 T HN 0.128 nan 8.240 nan 0.000 0.482 669 K N 0.519 120.878 120.400 -0.068 0.000 2.002 669 K HA -0.009 4.312 4.320 0.001 0.000 0.209 669 K C 2.050 178.585 176.600 -0.108 0.000 1.048 669 K CA 0.927 57.174 56.287 -0.067 0.000 0.930 669 K CB -0.384 32.091 32.500 -0.041 0.000 0.714 669 K HN 0.094 nan 8.250 nan 0.000 0.438 670 L N 1.268 122.410 121.223 -0.136 0.000 1.952 670 L HA -0.262 4.079 4.340 0.001 0.000 0.231 670 L C 2.219 178.992 176.870 -0.162 0.000 1.088 670 L CA 1.976 56.682 54.840 -0.224 0.000 0.802 670 L CB -0.720 41.178 42.059 -0.267 0.000 0.903 670 L HN 0.277 nan 8.230 nan 0.000 0.439 671 M N -1.176 118.346 119.600 -0.130 0.000 2.617 671 M HA -0.186 4.294 4.480 0.001 0.000 0.258 671 M C 1.675 177.941 176.300 -0.056 0.000 1.067 671 M CA 1.516 56.766 55.300 -0.084 0.000 1.057 671 M CB -0.459 32.084 32.600 -0.094 0.000 1.397 671 M HN 0.370 nan 8.290 nan 0.000 0.499 672 T N -1.940 112.577 114.554 -0.062 0.000 2.939 672 T HA -0.050 4.301 4.350 0.001 0.000 0.254 672 T C 1.823 176.512 174.700 -0.019 0.000 1.041 672 T CA 1.641 63.718 62.100 -0.039 0.000 1.142 672 T CB -0.125 68.716 68.868 -0.044 0.000 0.874 672 T HN 0.559 nan 8.240 nan 0.000 0.452 673 T N 1.687 116.223 114.554 -0.030 0.000 2.937 673 T HA 0.110 4.460 4.350 0.001 0.000 0.260 673 T C 2.041 176.791 174.700 0.083 0.000 1.051 673 T CA 0.389 62.505 62.100 0.026 0.000 1.141 673 T CB -0.472 68.392 68.868 -0.006 0.000 0.879 673 T HN 0.197 nan 8.240 nan 0.000 0.459 674 L N 0.280 121.533 121.223 0.050 0.000 1.990 674 L HA -0.076 4.264 4.340 0.001 0.000 0.213 674 L C 3.127 180.021 176.870 0.040 0.000 1.072 674 L CA 1.911 56.796 54.840 0.074 0.000 0.755 674 L CB -0.627 41.458 42.059 0.043 0.000 0.889 674 L HN 0.248 nan 8.230 nan 0.000 0.432 675 R N -0.020 120.494 120.500 0.024 0.000 2.293 675 R HA -0.095 4.246 4.340 0.001 0.000 0.219 675 R C 1.465 177.777 176.300 0.020 0.000 1.091 675 R CA 0.646 56.760 56.100 0.022 0.000 1.004 675 R CB -0.144 30.171 30.300 0.025 0.000 0.865 675 R HN 0.382 nan 8.270 nan 0.000 0.469 676 N N -0.343 118.378 118.700 0.036 0.000 2.236 676 N HA -0.015 4.726 4.740 0.001 0.000 0.196 676 N C 0.090 175.630 175.510 0.049 0.000 1.114 676 N CA 0.565 53.642 53.050 0.045 0.000 0.859 676 N CB 0.852 39.378 38.487 0.064 0.000 0.982 676 N HN 0.266 nan 8.380 nan 0.000 0.493 677 T N -2.782 111.791 114.554 0.031 0.000 2.762 677 T HA 0.350 4.701 4.350 0.001 0.000 0.272 677 T C -0.470 174.193 174.700 -0.062 0.000 0.982 677 T CA -0.825 61.260 62.100 -0.026 0.000 1.013 677 T CB 1.696 70.547 68.868 -0.028 0.000 1.309 677 T HN -0.100 nan 8.240 nan 0.000 0.572 678 N N 2.120 120.757 118.700 -0.106 0.000 2.469 678 N HA 0.405 5.146 4.740 0.001 0.000 0.253 678 N C -2.649 172.770 175.510 -0.152 0.000 0.970 678 N CA -2.208 50.775 53.050 -0.111 0.000 0.940 678 N CB 1.366 39.791 38.487 -0.103 0.000 1.128 678 N HN 0.415 nan 8.380 nan 0.000 0.503 679 P HA 0.064 nan 4.420 nan 0.000 0.271 679 P C -1.403 175.677 177.300 -0.367 0.000 1.218 679 P CA -0.035 62.844 63.100 -0.368 0.000 0.780 679 P CB 0.765 32.187 31.700 -0.464 0.000 0.901 680 N N 2.375 120.794 118.700 -0.468 0.000 2.653 680 N HA 0.201 4.942 4.740 0.001 0.000 0.261 680 N C -1.011 174.342 175.510 -0.261 0.000 1.216 680 N CA -0.259 52.641 53.050 -0.250 0.000 0.784 680 N CB 0.545 38.943 38.487 -0.148 0.000 1.327 680 N HN 0.258 nan 8.380 nan 0.000 0.539 681 F N 0.730 120.722 119.950 0.070 0.000 2.412 681 F HA 0.248 4.776 4.527 0.001 0.000 0.348 681 F C 1.030 176.858 175.800 0.046 0.000 1.102 681 F CA -0.530 57.515 58.000 0.076 0.000 1.196 681 F CB 1.000 40.101 39.000 0.168 0.000 1.144 681 F HN 0.024 nan 8.300 nan 0.000 0.541 682 V N 4.793 124.809 119.914 0.170 0.000 2.266 682 V HA 0.266 4.387 4.120 0.001 0.000 0.266 682 V C -0.013 176.093 176.094 0.020 0.000 1.036 682 V CA -0.940 61.394 62.300 0.056 0.000 0.828 682 V CB 0.424 32.240 31.823 -0.012 0.000 1.081 682 V HN 0.617 nan 8.190 nan 0.000 0.449 683 R N 2.138 122.656 120.500 0.030 0.000 2.853 683 R HA 0.171 4.511 4.340 0.001 0.000 0.238 683 R C -0.126 176.112 176.300 -0.104 0.000 1.538 683 R CA -0.202 55.869 56.100 -0.048 0.000 1.166 683 R CB -0.275 30.001 30.300 -0.039 0.000 1.201 683 R HN 0.626 nan 8.270 nan 0.000 0.606 684 C N 3.542 122.765 119.300 -0.128 0.000 2.632 684 C HA 0.389 4.850 4.460 0.001 0.000 0.415 684 C C 0.995 175.878 174.990 -0.178 0.000 1.332 684 C CA -0.793 58.115 59.018 -0.183 0.000 1.874 684 C CB -0.570 27.062 27.740 -0.181 0.000 2.596 684 C HN 0.624 nan 8.230 nan 0.000 0.590 685 I N 4.249 124.689 120.570 -0.217 0.000 2.418 685 I HA 0.274 4.445 4.170 0.001 0.000 0.287 685 I C 0.121 176.078 176.117 -0.267 0.000 1.008 685 I CA -0.475 60.696 61.300 -0.215 0.000 1.104 685 I CB 1.182 39.057 38.000 -0.208 0.000 1.264 685 I HN 0.573 nan 8.210 nan 0.000 0.438 686 I N 9.311 129.739 120.570 -0.237 0.000 2.692 686 I HA 0.080 4.251 4.170 0.001 0.000 0.284 686 I C -1.314 174.636 176.117 -0.277 0.000 1.159 686 I CA -1.208 59.936 61.300 -0.260 0.000 1.423 686 I CB 1.675 39.544 38.000 -0.217 0.000 1.380 686 I HN 0.412 nan 8.210 nan 0.000 0.580 687 P HA 0.014 nan 4.420 nan 0.000 0.216 687 P C -0.846 176.371 177.300 -0.139 0.000 1.151 687 P CA 0.773 63.717 63.100 -0.261 0.000 0.863 687 P CB 0.417 31.957 31.700 -0.267 0.000 0.790 688 N N -3.074 115.585 118.700 -0.068 0.000 2.823 688 N HA 0.150 4.891 4.740 0.001 0.000 0.251 688 N C -0.529 174.922 175.510 -0.098 0.000 1.392 688 N CA -0.759 52.246 53.050 -0.075 0.000 0.864 688 N CB -0.173 38.331 38.487 0.027 0.000 1.481 688 N HN -0.238 nan 8.380 nan 0.000 0.508 689 H N -1.140 117.949 119.070 0.032 0.000 2.526 689 H HA 0.249 4.806 4.556 0.001 0.000 0.274 689 H C 0.234 175.549 175.328 -0.021 0.000 0.999 689 H CA -0.028 56.024 56.048 0.007 0.000 1.157 689 H CB 0.540 30.296 29.762 -0.010 0.000 1.407 689 H HN 0.569 nan 8.280 nan 0.000 0.568 690 E N 0.757 120.990 120.200 0.055 0.000 2.478 690 E HA -0.040 4.311 4.350 0.001 0.000 0.194 690 E C 0.402 176.938 176.600 -0.107 0.000 1.045 690 E CA 0.091 56.486 56.400 -0.009 0.000 0.868 690 E CB 0.353 30.050 29.700 -0.005 0.000 0.885 690 E HN 0.294 nan 8.360 nan 0.000 0.505 691 K N 0.406 120.690 120.400 -0.192 0.000 3.274 691 K HA -0.189 4.131 4.320 0.001 0.000 0.300 691 K C -0.149 176.068 176.600 -0.639 0.000 1.230 691 K CA 0.604 56.595 56.287 -0.494 0.000 0.884 691 K CB -0.674 31.671 32.500 -0.259 0.000 1.242 691 K HN 0.087 nan 8.250 nan 0.000 0.467 692 R N 0.004 120.270 120.500 -0.390 0.000 2.393 692 R HA 0.491 4.831 4.340 0.001 0.000 0.310 692 R C 0.152 176.366 176.300 -0.143 0.000 0.968 692 R CA 0.128 56.087 56.100 -0.235 0.000 0.867 692 R CB 1.605 31.853 30.300 -0.087 0.000 1.124 692 R HN 0.200 nan 8.270 nan 0.000 0.450 693 A N 0.860 123.643 122.820 -0.062 0.000 2.259 693 A HA 0.529 4.849 4.320 0.001 0.000 0.278 693 A C 1.136 178.773 177.584 0.089 0.000 1.107 693 A CA 0.478 52.578 52.037 0.104 0.000 0.828 693 A CB 0.107 19.177 19.000 0.117 0.000 1.111 693 A HN 0.872 nan 8.150 nan 0.000 0.498 694 G N -0.906 107.934 108.800 0.066 0.000 2.257 694 G HA2 -0.287 3.674 3.960 0.001 0.000 0.267 694 G HA3 -0.287 3.674 3.960 0.001 0.000 0.267 694 G C 0.412 175.443 174.900 0.219 0.000 0.984 694 G CA 1.145 46.287 45.100 0.070 0.000 0.626 694 G HN 1.020 nan 8.290 nan 0.000 0.540 695 K N -0.016 120.500 120.400 0.193 0.000 2.159 695 K HA 0.726 5.047 4.320 0.001 0.000 0.266 695 K C -1.009 175.720 176.600 0.216 0.000 0.975 695 K CA -1.004 55.425 56.287 0.236 0.000 0.865 695 K CB 1.134 33.722 32.500 0.147 0.000 1.087 695 K HN 0.371 nan 8.250 nan 0.000 0.446 696 L N 4.387 125.752 121.223 0.237 0.000 2.427 696 L HA 0.274 4.615 4.340 0.001 0.000 0.264 696 L C -0.909 176.018 176.870 0.094 0.000 0.989 696 L CA -0.556 54.340 54.840 0.095 0.000 0.865 696 L CB 1.363 43.418 42.059 -0.006 0.000 1.209 696 L HN 0.719 nan 8.230 nan 0.000 0.430 697 D N 3.426 123.842 120.400 0.028 0.000 2.487 697 D HA 0.110 4.750 4.640 0.001 0.000 0.243 697 D C 0.820 177.125 176.300 0.008 0.000 1.154 697 D CA 0.866 54.885 54.000 0.032 0.000 0.876 697 D CB 1.951 42.758 40.800 0.012 0.000 1.161 697 D HN 0.748 nan 8.370 nan 0.000 0.478 698 A N 4.894 127.719 122.820 0.009 0.000 1.904 698 A HA -0.216 4.105 4.320 0.001 0.000 0.207 698 A C 1.778 179.296 177.584 -0.109 0.000 1.231 698 A CA 1.699 53.681 52.037 -0.091 0.000 0.655 698 A CB -1.096 17.764 19.000 -0.233 0.000 0.875 698 A HN 0.858 nan 8.150 nan 0.000 0.478 699 H N -0.336 118.726 119.070 -0.014 0.000 2.289 699 H HA -0.182 4.374 4.556 0.001 0.000 0.294 699 H C 1.981 177.299 175.328 -0.017 0.000 1.095 699 H CA 1.891 57.925 56.048 -0.024 0.000 1.256 699 H CB -0.546 29.197 29.762 -0.033 0.000 1.359 699 H HN 0.465 nan 8.280 nan 0.000 0.487 700 L N 0.198 121.492 121.223 0.119 0.000 2.010 700 L HA -0.262 4.079 4.340 0.001 0.000 0.219 700 L C 2.176 179.036 176.870 -0.017 0.000 1.077 700 L CA 1.676 56.544 54.840 0.045 0.000 0.773 700 L CB -0.620 41.450 42.059 0.020 0.000 0.892 700 L HN 0.169 nan 8.230 nan 0.000 0.436 701 V N -0.386 119.501 119.914 -0.045 0.000 2.407 701 V HA -0.258 3.862 4.120 0.001 0.000 0.248 701 V C 2.432 178.495 176.094 -0.052 0.000 1.055 701 V CA 1.775 64.024 62.300 -0.085 0.000 1.049 701 V CB -0.289 31.469 31.823 -0.109 0.000 0.662 701 V HN 0.532 nan 8.190 nan 0.000 0.455 702 L N -0.141 121.072 121.223 -0.015 0.000 2.056 702 L HA -0.094 4.246 4.340 0.001 0.000 0.207 702 L C 2.433 179.316 176.870 0.023 0.000 1.078 702 L CA 2.002 56.853 54.840 0.019 0.000 0.749 702 L CB -0.706 41.375 42.059 0.037 0.000 0.901 702 L HN 0.242 nan 8.230 nan 0.000 0.433 703 E N -0.506 119.706 120.200 0.021 0.000 2.107 703 E HA -0.200 4.150 4.350 0.001 0.000 0.191 703 E C 2.102 178.677 176.600 -0.041 0.000 0.982 703 E CA 1.076 57.478 56.400 0.003 0.000 0.809 703 E CB -0.052 29.653 29.700 0.007 0.000 0.756 703 E HN 0.637 nan 8.360 nan 0.000 0.459 704 Q N 0.048 119.813 119.800 -0.059 0.000 2.152 704 Q HA -0.160 4.181 4.340 0.001 0.000 0.206 704 Q C 2.476 178.425 176.000 -0.086 0.000 0.985 704 Q CA 1.244 56.988 55.803 -0.097 0.000 0.863 704 Q CB -0.142 28.533 28.738 -0.105 0.000 0.904 704 Q HN 0.262 nan 8.270 nan 0.000 0.422 705 L N -0.054 121.136 121.223 -0.054 0.000 2.083 705 L HA -0.198 4.143 4.340 0.001 0.000 0.209 705 L C 2.423 179.288 176.870 -0.008 0.000 1.083 705 L CA 1.320 56.142 54.840 -0.029 0.000 0.752 705 L CB -0.122 41.931 42.059 -0.010 0.000 0.899 705 L HN 0.101 nan 8.230 nan 0.000 0.433 706 R N -0.795 119.700 120.500 -0.007 0.000 2.075 706 R HA -0.080 4.261 4.340 0.001 0.000 0.226 706 R C 2.105 178.405 176.300 -0.001 0.000 1.114 706 R CA 1.404 57.510 56.100 0.010 0.000 0.972 706 R CB -0.503 29.807 30.300 0.016 0.000 0.869 706 R HN 0.540 nan 8.270 nan 0.000 0.437 707 C N 0.270 119.541 119.300 -0.048 0.000 2.454 707 C HA 0.314 4.775 4.460 0.001 0.000 0.321 707 C C 0.815 175.767 174.990 -0.064 0.000 1.299 707 C CA -0.525 58.445 59.018 -0.081 0.000 1.683 707 C CB -0.986 26.622 27.740 -0.221 0.000 1.772 707 C HN 0.292 nan 8.230 nan 0.000 0.596 708 N N 0.043 118.705 118.700 -0.063 0.000 2.118 708 N HA 0.174 4.914 4.740 0.001 0.000 0.226 708 N C 1.186 176.581 175.510 -0.192 0.000 1.305 708 N CA 0.898 53.856 53.050 -0.154 0.000 0.890 708 N CB 0.878 39.251 38.487 -0.190 0.000 1.118 708 N HN 0.695 nan 8.380 nan 0.000 0.511 709 G N 1.597 110.402 108.800 0.009 0.000 2.393 709 G HA2 -0.257 3.704 3.960 0.001 0.000 0.299 709 G HA3 -0.257 3.704 3.960 0.001 0.000 0.299 709 G C 1.033 176.030 174.900 0.161 0.000 0.990 709 G CA 0.758 45.954 45.100 0.159 0.000 1.118 709 G HN 0.153 nan 8.290 nan 0.000 0.513 710 V N 1.053 121.045 119.914 0.129 0.000 2.231 710 V HA -0.125 3.996 4.120 0.001 0.000 0.240 710 V C 2.848 179.165 176.094 0.372 0.000 1.039 710 V CA 1.626 64.113 62.300 0.312 0.000 0.998 710 V CB -0.701 31.245 31.823 0.206 0.000 0.639 710 V HN 0.428 nan 8.190 nan 0.000 0.451 711 L N 0.248 121.595 121.223 0.206 0.000 2.034 711 L HA -0.261 4.080 4.340 0.001 0.000 0.217 711 L C 2.632 179.630 176.870 0.212 0.000 1.077 711 L CA 2.304 57.240 54.840 0.161 0.000 0.769 711 L CB -1.581 40.528 42.059 0.084 0.000 0.890 711 L HN 0.472 nan 8.230 nan 0.000 0.435 712 E N -0.367 119.957 120.200 0.207 0.000 2.110 712 E HA -0.117 4.234 4.350 0.001 0.000 0.193 712 E C 2.239 178.928 176.600 0.148 0.000 0.988 712 E CA 1.020 57.557 56.400 0.227 0.000 0.804 712 E CB -0.671 29.023 29.700 -0.011 0.000 0.745 712 E HN 0.512 nan 8.360 nan 0.000 0.458 713 G N 0.898 109.909 108.800 0.352 0.000 2.418 713 G HA2 -0.226 3.735 3.960 0.001 0.000 0.217 713 G HA3 -0.226 3.735 3.960 0.001 0.000 0.217 713 G C 1.600 176.842 174.900 0.571 0.000 1.158 713 G CA 0.745 46.154 45.100 0.515 0.000 0.771 713 G HN 0.215 nan 8.290 nan 0.000 0.545 714 I N -0.225 120.633 120.570 0.479 0.000 2.394 714 I HA -0.072 4.098 4.170 0.001 0.000 0.251 714 I C 2.874 179.110 176.117 0.198 0.000 1.136 714 I CA 0.601 62.038 61.300 0.229 0.000 1.425 714 I CB -0.233 37.839 38.000 0.120 0.000 1.079 714 I HN 0.105 nan 8.210 nan 0.000 0.425 715 R N 1.160 121.810 120.500 0.251 0.000 2.070 715 R HA -0.169 4.172 4.340 0.001 0.000 0.233 715 R C 2.327 178.811 176.300 0.307 0.000 1.137 715 R CA 1.764 58.036 56.100 0.288 0.000 0.945 715 R CB -0.222 30.368 30.300 0.483 0.000 0.845 715 R HN 0.232 nan 8.270 nan 0.000 0.430 716 I N -0.091 120.648 120.570 0.283 0.000 2.286 716 I HA -0.330 3.840 4.170 0.001 0.000 0.248 716 I C 2.470 178.691 176.117 0.174 0.000 1.115 716 I CA 0.948 62.389 61.300 0.235 0.000 1.392 716 I CB -0.448 37.585 38.000 0.055 0.000 1.065 716 I HN 0.237 nan 8.210 nan 0.000 0.418 717 C N 0.906 120.304 119.300 0.163 0.000 2.413 717 C HA -0.163 4.298 4.460 0.001 0.000 0.276 717 C C 2.896 177.934 174.990 0.079 0.000 1.236 717 C CA 1.590 60.684 59.018 0.127 0.000 1.735 717 C CB -1.291 26.528 27.740 0.131 0.000 2.031 717 C HN 0.584 nan 8.230 nan 0.000 0.474 718 R N -0.017 120.530 120.500 0.079 0.000 2.265 718 R HA 0.085 4.425 4.340 0.001 0.000 0.194 718 R C 1.863 178.166 176.300 0.005 0.000 0.931 718 R CA 0.576 56.697 56.100 0.036 0.000 1.032 718 R CB -0.371 29.955 30.300 0.045 0.000 0.980 718 R HN 0.466 nan 8.270 nan 0.000 0.497 719 Q N 0.990 120.830 119.800 0.067 0.000 2.033 719 Q HA 0.104 4.445 4.340 0.001 0.000 0.196 719 Q C 1.055 177.055 176.000 0.000 0.000 0.970 719 Q CA 1.591 57.458 55.803 0.106 0.000 0.828 719 Q CB 0.058 28.962 28.738 0.277 0.000 0.895 719 Q HN 0.437 nan 8.270 nan 0.000 0.440 720 G N -0.571 108.170 108.800 -0.098 0.000 2.606 720 G HA2 0.388 4.349 3.960 0.001 0.000 0.262 720 G HA3 0.388 4.349 3.960 0.001 0.000 0.262 720 G C -0.907 173.666 174.900 -0.546 0.000 1.394 720 G CA -0.571 44.214 45.100 -0.525 0.000 1.044 720 G HN 0.091 nan 8.290 nan 0.000 0.553 721 F N 0.503 120.379 119.950 -0.123 0.000 2.366 721 F HA 0.344 4.872 4.527 0.001 0.000 0.328 721 F C -1.600 174.344 175.800 0.241 0.000 1.180 721 F CA -2.400 55.677 58.000 0.128 0.000 1.232 721 F CB 1.762 40.883 39.000 0.202 0.000 1.513 721 F HN 0.128 nan 8.300 nan 0.000 0.540 722 P HA -0.104 nan 4.420 nan 0.000 0.261 722 P C -0.311 177.067 177.300 0.129 0.000 1.288 722 P CA 0.858 64.065 63.100 0.179 0.000 0.751 722 P CB 0.017 31.793 31.700 0.126 0.000 1.103 723 N N 0.677 119.478 118.700 0.169 0.000 2.264 723 N HA 0.333 5.073 4.740 0.001 0.000 0.288 723 N C -0.603 174.894 175.510 -0.022 0.000 1.094 723 N CA -0.522 52.588 53.050 0.100 0.000 0.817 723 N CB 2.543 41.151 38.487 0.201 0.000 1.604 723 N HN -0.008 nan 8.380 nan 0.000 0.473 724 R N 1.225 121.640 120.500 -0.142 0.000 2.739 724 R HA 0.702 5.043 4.340 0.001 0.000 0.271 724 R C -1.292 174.963 176.300 -0.074 0.000 1.010 724 R CA -0.842 55.052 56.100 -0.343 0.000 0.897 724 R CB 1.871 31.613 30.300 -0.929 0.000 1.236 724 R HN 0.522 nan 8.270 nan 0.000 0.466 725 I N 1.102 121.678 120.570 0.011 0.000 2.715 725 I HA 0.147 4.318 4.170 0.001 0.000 0.288 725 I C -1.105 175.098 176.117 0.143 0.000 1.371 725 I CA -1.000 60.366 61.300 0.110 0.000 1.056 725 I CB 2.220 40.374 38.000 0.256 0.000 1.339 725 I HN 0.581 nan 8.210 nan 0.000 0.425 726 V N 8.279 128.237 119.914 0.073 0.000 2.763 726 V HA 0.033 4.154 4.120 0.001 0.000 0.306 726 V C 0.910 177.148 176.094 0.241 0.000 1.059 726 V CA 0.512 62.834 62.300 0.038 0.000 1.138 726 V CB 0.599 32.408 31.823 -0.024 0.000 0.940 726 V HN 0.759 nan 8.190 nan 0.000 0.489 727 F N 3.494 123.487 119.950 0.072 0.000 2.052 727 F HA -0.286 4.242 4.527 0.001 0.000 0.297 727 F C 2.368 178.250 175.800 0.137 0.000 1.166 727 F CA 2.508 60.570 58.000 0.103 0.000 1.218 727 F CB -1.800 37.240 39.000 0.066 0.000 0.943 727 F HN 0.774 nan 8.300 nan 0.000 0.521 728 Q N 0.536 120.524 119.800 0.313 0.000 2.094 728 Q HA -0.329 4.012 4.340 0.001 0.000 0.217 728 Q C 1.783 177.845 176.000 0.104 0.000 1.046 728 Q CA 2.697 58.599 55.803 0.165 0.000 0.911 728 Q CB -0.875 27.922 28.738 0.099 0.000 1.038 728 Q HN 0.384 nan 8.270 nan 0.000 0.422 729 E N -0.676 119.575 120.200 0.085 0.000 2.077 729 E HA -0.078 4.273 4.350 0.001 0.000 0.193 729 E C 1.655 178.218 176.600 -0.062 0.000 0.989 729 E CA 1.187 57.587 56.400 -0.001 0.000 0.800 729 E CB -0.708 28.988 29.700 -0.006 0.000 0.746 729 E HN 0.550 nan 8.360 nan 0.000 0.452 730 F N 1.621 121.520 119.950 -0.085 0.000 2.095 730 F HA -0.238 4.290 4.527 0.001 0.000 0.298 730 F C 2.293 177.985 175.800 -0.180 0.000 1.104 730 F CA 2.020 59.928 58.000 -0.153 0.000 1.232 730 F CB -0.089 38.966 39.000 0.093 0.000 0.987 730 F HN -0.032 nan 8.300 nan 0.000 0.475 731 R N 0.681 121.196 120.500 0.025 0.000 2.148 731 R HA -0.125 4.216 4.340 0.001 0.000 0.223 731 R C 1.987 178.188 176.300 -0.165 0.000 1.088 731 R CA 1.663 57.719 56.100 -0.072 0.000 0.985 731 R CB -1.009 29.352 30.300 0.102 0.000 0.880 731 R HN 0.425 nan 8.270 nan 0.000 0.451 732 Q N 0.061 119.770 119.800 -0.151 0.000 2.167 732 Q HA -0.062 4.278 4.340 0.001 0.000 0.202 732 Q C 1.871 177.741 176.000 -0.218 0.000 0.970 732 Q CA 1.677 57.391 55.803 -0.148 0.000 0.855 732 Q CB -0.027 28.647 28.738 -0.108 0.000 0.911 732 Q HN 0.364 nan 8.270 nan 0.000 0.438 733 R N -1.184 119.089 120.500 -0.378 0.000 2.039 733 R HA 0.075 4.416 4.340 0.001 0.000 0.218 733 R C 0.014 176.126 176.300 -0.313 0.000 1.220 733 R CA 0.826 56.668 56.100 -0.431 0.000 0.993 733 R CB -0.116 29.718 30.300 -0.777 0.000 0.881 733 R HN 0.170 nan 8.270 nan 0.000 0.450 734 Y N 1.456 121.518 120.300 -0.397 0.000 2.623 734 Y HA 0.243 4.793 4.550 0.001 0.000 0.341 734 Y C 0.670 176.347 175.900 -0.373 0.000 1.292 734 Y CA -0.385 57.454 58.100 -0.434 0.000 1.840 734 Y CB -0.216 37.848 38.460 -0.660 0.000 1.865 734 Y HN 0.398 nan 8.280 nan 0.000 0.440 735 E N 0.805 120.941 120.200 -0.107 0.000 2.489 735 E HA 0.098 4.449 4.350 0.001 0.000 0.208 735 E C 1.647 178.208 176.600 -0.064 0.000 0.814 735 E CA 0.109 56.453 56.400 -0.093 0.000 1.348 735 E CB 0.130 29.769 29.700 -0.102 0.000 1.334 735 E HN 0.567 nan 8.360 nan 0.000 0.672 736 I N 1.483 122.017 120.570 -0.060 0.000 2.700 736 I HA -0.132 4.038 4.170 0.001 0.000 0.261 736 I C 1.115 177.204 176.117 -0.047 0.000 1.219 736 I CA 0.853 62.123 61.300 -0.050 0.000 1.463 736 I CB 0.247 38.219 38.000 -0.047 0.000 1.092 736 I HN 0.270 nan 8.210 nan 0.000 0.452 737 L N 0.434 121.626 121.223 -0.052 0.000 2.585 737 L HA 0.248 4.588 4.340 0.001 0.000 0.226 737 L C 0.744 177.587 176.870 -0.045 0.000 1.113 737 L CA 0.202 55.005 54.840 -0.062 0.000 0.876 737 L CB -0.047 41.952 42.059 -0.101 0.000 1.072 737 L HN 0.209 nan 8.230 nan 0.000 0.468 738 A N -0.551 122.246 122.820 -0.038 0.000 3.307 738 A HA 0.645 4.965 4.320 0.001 0.000 0.289 738 A C 0.769 178.337 177.584 -0.027 0.000 1.138 738 A CA 0.146 52.170 52.037 -0.022 0.000 0.860 738 A CB 0.399 19.395 19.000 -0.008 0.000 1.318 738 A HN 0.116 nan 8.150 nan 0.000 0.551 739 A N 1.102 123.905 122.820 -0.027 0.000 1.854 739 A HA 0.009 4.330 4.320 0.001 0.000 0.214 739 A C 0.929 178.498 177.584 -0.025 0.000 1.192 739 A CA 0.968 52.986 52.037 -0.031 0.000 0.611 739 A CB -0.256 18.727 19.000 -0.029 0.000 0.832 739 A HN 0.555 nan 8.150 nan 0.000 0.442 740 N N 0.276 118.966 118.700 -0.017 0.000 3.124 740 N HA 0.498 5.239 4.740 0.001 0.000 0.284 740 N C 0.244 175.751 175.510 -0.006 0.000 1.209 740 N CA 0.735 53.778 53.050 -0.012 0.000 1.149 740 N CB 0.931 39.414 38.487 -0.007 0.000 1.434 740 N HN 0.492 nan 8.380 nan 0.000 0.529 741 A N 0.869 123.684 122.820 -0.009 0.000 1.808 741 A HA 0.260 4.580 4.320 0.001 0.000 0.190 741 A C 0.255 177.835 177.584 -0.007 0.000 1.822 741 A CA 0.071 52.107 52.037 -0.002 0.000 1.090 741 A CB 0.389 19.392 19.000 0.005 0.000 1.004 741 A HN 0.226 nan 8.150 nan 0.000 0.602 742 I N 3.002 123.562 120.570 -0.017 0.000 2.441 742 I HA 0.279 4.449 4.170 0.001 0.000 0.287 742 I C -1.788 174.310 176.117 -0.033 0.000 1.049 742 I CA -1.795 59.489 61.300 -0.025 0.000 1.381 742 I CB -0.224 37.751 38.000 -0.042 0.000 1.409 742 I HN 0.223 nan 8.210 nan 0.000 0.523 743 P HA 0.094 nan 4.420 nan 0.000 0.286 743 P C 0.685 177.960 177.300 -0.043 0.000 1.278 743 P CA -0.283 62.805 63.100 -0.020 0.000 0.785 743 P CB 0.892 32.590 31.700 -0.004 0.000 1.269 744 K N -1.245 119.137 120.400 -0.030 0.000 2.314 744 K HA 0.127 4.448 4.320 0.001 0.000 0.198 744 K C 1.144 177.711 176.600 -0.056 0.000 1.045 744 K CA 0.278 56.537 56.287 -0.048 0.000 0.988 744 K CB -0.426 32.069 32.500 -0.008 0.000 0.783 744 K HN 0.566 nan 8.250 nan 0.000 0.484 745 G N 0.087 108.892 108.800 0.008 0.000 2.539 745 G HA2 0.199 4.160 3.960 0.001 0.000 0.258 745 G HA3 0.199 4.160 3.960 0.001 0.000 0.258 745 G C -0.783 174.149 174.900 0.054 0.000 1.202 745 G CA -0.580 44.586 45.100 0.109 0.000 0.851 745 G HN 0.064 nan 8.290 nan 0.000 0.556 746 F N 1.673 121.630 119.950 0.012 0.000 2.464 746 F HA 0.361 4.888 4.527 0.001 0.000 0.353 746 F C 0.568 176.381 175.800 0.021 0.000 1.191 746 F CA -0.403 57.607 58.000 0.016 0.000 1.147 746 F CB 0.498 39.507 39.000 0.015 0.000 1.294 746 F HN -0.040 nan 8.300 nan 0.000 0.583 747 M N 0.556 120.236 119.600 0.132 0.000 2.849 747 M HA 0.245 4.726 4.480 0.001 0.000 0.299 747 M C -0.138 176.218 176.300 0.093 0.000 1.223 747 M CA -1.457 53.903 55.300 0.099 0.000 0.856 747 M CB 0.634 33.269 32.600 0.058 0.000 1.680 747 M HN 0.227 nan 8.290 nan 0.000 0.506 748 D N 0.931 121.381 120.400 0.083 0.000 2.586 748 D HA 0.015 4.656 4.640 0.001 0.000 0.234 748 D C 1.217 177.574 176.300 0.095 0.000 1.132 748 D CA 0.742 54.801 54.000 0.098 0.000 0.860 748 D CB 0.762 41.613 40.800 0.084 0.000 1.159 748 D HN 0.746 nan 8.370 nan 0.000 0.490 749 G N 4.397 113.300 108.800 0.172 0.000 2.479 749 G HA2 -0.280 3.681 3.960 0.001 0.000 0.220 749 G HA3 -0.280 3.681 3.960 0.001 0.000 0.220 749 G C 1.388 176.284 174.900 -0.008 0.000 1.115 749 G CA 0.634 45.859 45.100 0.208 0.000 0.757 749 G HN 0.525 nan 8.290 nan 0.000 0.560 750 K N -0.040 120.357 120.400 -0.005 0.000 2.021 750 K HA -0.048 4.273 4.320 0.001 0.000 0.205 750 K C 2.414 178.799 176.600 -0.359 0.000 1.047 750 K CA 1.163 57.145 56.287 -0.509 0.000 0.943 750 K CB -0.284 32.282 32.500 0.111 0.000 0.725 750 K HN 0.356 nan 8.250 nan 0.000 0.439 751 Q N 0.285 120.011 119.800 -0.124 0.000 2.230 751 Q HA -0.082 4.259 4.340 0.001 0.000 0.202 751 Q C 1.660 177.616 176.000 -0.073 0.000 0.963 751 Q CA 1.196 56.952 55.803 -0.079 0.000 0.866 751 Q CB 0.069 28.796 28.738 -0.019 0.000 0.931 751 Q HN 0.358 nan 8.270 nan 0.000 0.452 752 A N 0.554 123.335 122.820 -0.066 0.000 1.897 752 A HA -0.163 4.157 4.320 0.001 0.000 0.215 752 A C 2.437 180.007 177.584 -0.024 0.000 1.181 752 A CA 1.337 53.355 52.037 -0.031 0.000 0.620 752 A CB -1.284 17.712 19.000 -0.007 0.000 0.821 752 A HN 0.693 nan 8.150 nan 0.000 0.443 753 C N -0.844 118.402 119.300 -0.090 0.000 2.435 753 C HA 0.018 4.479 4.460 0.001 0.000 0.279 753 C C 2.395 177.333 174.990 -0.087 0.000 1.321 753 C CA 0.973 59.969 59.018 -0.036 0.000 1.752 753 C CB -1.423 26.118 27.740 -0.331 0.000 1.959 753 C HN 0.502 nan 8.230 nan 0.000 0.500 754 I N 0.603 121.070 120.570 -0.172 0.000 2.226 754 I HA -0.102 4.069 4.170 0.001 0.000 0.245 754 I C 2.359 178.456 176.117 -0.033 0.000 1.100 754 I CA 1.332 62.558 61.300 -0.122 0.000 1.374 754 I CB -0.348 37.590 38.000 -0.104 0.000 1.057 754 I HN 0.237 nan 8.210 nan 0.000 0.413 755 L N -0.587 120.629 121.223 -0.013 0.000 2.131 755 L HA -0.181 4.160 4.340 0.001 0.000 0.210 755 L C 2.344 179.238 176.870 0.041 0.000 1.092 755 L CA 1.782 56.630 54.840 0.013 0.000 0.759 755 L CB -0.745 41.318 42.059 0.006 0.000 0.903 755 L HN 0.231 nan 8.230 nan 0.000 0.435 756 M N -1.566 118.079 119.600 0.075 0.000 2.077 756 M HA -0.208 4.273 4.480 0.001 0.000 0.261 756 M C 2.384 178.770 176.300 0.143 0.000 1.070 756 M CA 1.829 57.203 55.300 0.122 0.000 1.125 756 M CB -0.619 32.117 32.600 0.226 0.000 1.339 756 M HN 0.138 nan 8.290 nan 0.000 0.409 757 I N 0.629 121.293 120.570 0.157 0.000 2.264 757 I HA -0.322 3.848 4.170 0.001 0.000 0.248 757 I C 2.730 178.889 176.117 0.071 0.000 1.111 757 I CA 1.326 62.677 61.300 0.085 0.000 1.382 757 I CB -0.428 37.459 38.000 -0.189 0.000 1.060 757 I HN 0.337 nan 8.210 nan 0.000 0.418 758 K N 1.625 122.062 120.400 0.062 0.000 2.148 758 K HA -0.163 4.157 4.320 0.001 0.000 0.204 758 K C 2.091 178.734 176.600 0.071 0.000 1.050 758 K CA 1.503 57.835 56.287 0.075 0.000 0.942 758 K CB -0.086 32.447 32.500 0.055 0.000 0.724 758 K HN 0.284 nan 8.250 nan 0.000 0.446 759 A N 1.653 124.510 122.820 0.062 0.000 1.898 759 A HA -0.072 4.249 4.320 0.001 0.000 0.216 759 A C 1.974 179.593 177.584 0.058 0.000 1.181 759 A CA 1.254 53.321 52.037 0.051 0.000 0.620 759 A CB -0.474 18.550 19.000 0.039 0.000 0.819 759 A HN 0.347 nan 8.150 nan 0.000 0.442 760 L N -0.741 120.526 121.223 0.073 0.000 2.645 760 L HA 0.202 4.543 4.340 0.001 0.000 0.235 760 L C 0.076 177.009 176.870 0.105 0.000 1.150 760 L CA 0.191 55.080 54.840 0.081 0.000 0.911 760 L CB -0.963 41.146 42.059 0.085 0.000 1.077 760 L HN 0.363 nan 8.230 nan 0.000 0.438 761 E N 0.706 120.968 120.200 0.103 0.000 2.202 761 E HA -0.214 4.136 4.350 0.001 0.000 0.214 761 E C -0.170 176.525 176.600 0.158 0.000 1.303 761 E CA 0.172 56.641 56.400 0.115 0.000 0.714 761 E CB -1.043 28.710 29.700 0.089 0.000 1.130 761 E HN 0.425 nan 8.360 nan 0.000 0.356 762 L N 1.046 122.394 121.223 0.209 0.000 2.499 762 L HA 0.026 4.367 4.340 0.001 0.000 0.273 762 L C 0.841 177.936 176.870 0.374 0.000 1.195 762 L CA 0.276 55.304 54.840 0.314 0.000 0.882 762 L CB 0.255 42.521 42.059 0.345 0.000 1.133 762 L HN 0.208 nan 8.230 nan 0.000 0.483 763 D N 6.260 126.830 120.400 0.285 0.000 2.382 763 D HA 0.054 4.694 4.640 0.001 0.000 0.259 763 D C -1.512 174.836 176.300 0.081 0.000 1.224 763 D CA -1.146 52.956 54.000 0.170 0.000 0.894 763 D CB 0.945 41.816 40.800 0.118 0.000 1.127 763 D HN 0.237 nan 8.370 nan 0.000 0.487 764 P HA -0.116 nan 4.420 nan 0.000 0.280 764 P C -0.191 176.932 177.300 -0.294 0.000 1.359 764 P CA 0.772 63.672 63.100 -0.333 0.000 0.744 764 P CB -0.079 31.537 31.700 -0.141 0.000 1.236 765 N N -1.054 117.562 118.700 -0.140 0.000 2.113 765 N HA 0.130 4.871 4.740 0.001 0.000 0.223 765 N C 1.275 176.845 175.510 0.100 0.000 1.310 765 N CA -0.107 52.939 53.050 -0.005 0.000 0.896 765 N CB 0.529 39.029 38.487 0.020 0.000 1.097 765 N HN 0.053 nan 8.380 nan 0.000 0.507 766 L N 0.531 121.832 121.223 0.130 0.000 2.249 766 L HA 0.101 4.442 4.340 0.001 0.000 0.207 766 L C 0.472 177.621 176.870 0.465 0.000 1.090 766 L CA 0.552 55.555 54.840 0.271 0.000 0.802 766 L CB -0.228 42.029 42.059 0.329 0.000 0.947 766 L HN 0.174 nan 8.230 nan 0.000 0.453 767 Y N -1.418 119.047 120.300 0.274 0.000 2.549 767 Y HA 0.780 5.330 4.550 0.001 0.000 0.339 767 Y C -0.421 175.394 175.900 -0.141 0.000 1.053 767 Y CA -1.688 56.427 58.100 0.026 0.000 1.105 767 Y CB 1.062 39.247 38.460 -0.458 0.000 1.258 767 Y HN -0.254 nan 8.280 nan 0.000 0.478 768 R N 2.851 123.130 120.500 -0.369 0.000 2.502 768 R HA 0.458 4.799 4.340 0.001 0.000 0.300 768 R C -1.620 174.521 176.300 -0.265 0.000 0.984 768 R CA -1.042 54.694 56.100 -0.607 0.000 0.882 768 R CB 0.788 30.215 30.300 -1.454 0.000 1.180 768 R HN 0.831 nan 8.270 nan 0.000 0.444 769 I N 2.752 123.245 120.570 -0.130 0.000 2.519 769 I HA 0.446 4.616 4.170 0.001 0.000 0.287 769 I C 1.047 177.142 176.117 -0.036 0.000 1.047 769 I CA 0.344 61.632 61.300 -0.021 0.000 1.381 769 I CB 1.151 39.164 38.000 0.021 0.000 1.417 769 I HN 0.750 nan 8.210 nan 0.000 0.540 770 G N 3.955 112.815 108.800 0.099 0.000 3.222 770 G HA2 0.307 4.268 3.960 0.001 0.000 0.263 770 G HA3 0.307 4.268 3.960 0.001 0.000 0.263 770 G C 0.202 175.188 174.900 0.142 0.000 1.312 770 G CA -0.028 45.103 45.100 0.050 0.000 0.934 770 G HN 0.430 nan 8.290 nan 0.000 0.577 771 Q N -0.102 119.715 119.800 0.030 0.000 1.967 771 Q HA -0.016 4.325 4.340 0.001 0.000 0.202 771 Q C 1.407 177.288 176.000 -0.198 0.000 0.985 771 Q CA 2.288 58.083 55.803 -0.013 0.000 0.839 771 Q CB -0.246 28.465 28.738 -0.045 0.000 0.906 771 Q HN 0.607 nan 8.270 nan 0.000 0.423 772 S N -0.466 114.947 115.700 -0.479 0.000 2.440 772 S HA 0.530 5.000 4.470 0.001 0.000 0.142 772 S C -1.211 172.854 174.600 -0.891 0.000 1.578 772 S CA -0.641 56.860 58.200 -1.165 0.000 1.260 772 S CB -0.151 62.704 63.200 -0.574 0.000 1.407 772 S HN 0.296 nan 8.310 nan 0.000 0.392 773 K N 2.540 122.458 120.400 -0.804 0.000 3.035 773 K HA 0.196 4.517 4.320 0.001 0.000 0.330 773 K C -2.010 174.805 176.600 0.359 0.000 1.164 773 K CA -0.580 55.683 56.287 -0.040 0.000 0.919 773 K CB 0.414 32.920 32.500 0.010 0.000 1.368 773 K HN 0.469 nan 8.250 nan 0.000 0.385 774 I N 2.438 123.175 120.570 0.278 0.000 2.530 774 I HA 0.411 4.582 4.170 0.001 0.000 0.297 774 I C -0.592 175.605 176.117 0.133 0.000 1.011 774 I CA -0.826 60.559 61.300 0.142 0.000 1.107 774 I CB 1.140 38.986 38.000 -0.258 0.000 1.285 774 I HN 0.444 nan 8.210 nan 0.000 0.436 775 F N 4.927 124.765 119.950 -0.186 0.000 2.319 775 F HA 0.428 4.955 4.527 0.001 0.000 0.356 775 F C 0.035 175.859 175.800 0.040 0.000 1.100 775 F CA -0.682 57.298 58.000 -0.033 0.000 1.220 775 F CB 0.095 39.013 39.000 -0.137 0.000 1.506 775 F HN 0.186 nan 8.300 nan 0.000 0.512 776 F N 1.048 121.203 119.950 0.341 0.000 2.406 776 F HA 0.423 4.951 4.527 0.001 0.000 0.327 776 F C 1.194 177.240 175.800 0.409 0.000 1.153 776 F CA -0.392 57.842 58.000 0.390 0.000 1.218 776 F CB 0.546 39.710 39.000 0.275 0.000 1.215 776 F HN 0.201 nan 8.300 nan 0.000 0.570 777 R N 0.052 120.885 120.500 0.556 0.000 2.574 777 R HA 0.305 4.646 4.340 0.001 0.000 0.266 777 R C -0.520 175.935 176.300 0.259 0.000 1.157 777 R CA -0.355 55.929 56.100 0.307 0.000 1.187 777 R CB 0.279 30.697 30.300 0.197 0.000 1.179 777 R HN 0.740 nan 8.270 nan 0.000 0.600 778 T N -0.192 114.460 114.554 0.163 0.000 2.940 778 T HA 0.285 4.635 4.350 0.001 0.000 0.309 778 T C 1.221 176.010 174.700 0.148 0.000 1.056 778 T CA 0.088 62.276 62.100 0.145 0.000 1.137 778 T CB 0.651 69.585 68.868 0.110 0.000 0.976 778 T HN 0.792 nan 8.240 nan 0.000 0.547 779 G N 1.255 110.140 108.800 0.141 0.000 2.238 779 G HA2 -0.333 3.628 3.960 0.001 0.000 0.270 779 G HA3 -0.333 3.628 3.960 0.001 0.000 0.270 779 G C 0.931 175.915 174.900 0.140 0.000 0.977 779 G CA 0.441 45.624 45.100 0.139 0.000 0.639 779 G HN 0.792 nan 8.290 nan 0.000 0.544 780 V N -0.094 119.920 119.914 0.166 0.000 3.078 780 V HA 0.000 4.121 4.120 0.001 0.000 0.265 780 V C 2.456 178.589 176.094 0.066 0.000 1.122 780 V CA 1.708 64.121 62.300 0.188 0.000 1.141 780 V CB -0.078 31.951 31.823 0.343 0.000 0.735 780 V HN 0.374 nan 8.190 nan 0.000 0.498 781 L N -0.334 120.901 121.223 0.020 0.000 2.357 781 L HA 0.343 4.684 4.340 0.001 0.000 0.211 781 L C 2.465 179.292 176.870 -0.072 0.000 1.075 781 L CA 1.655 56.432 54.840 -0.105 0.000 0.830 781 L CB -1.083 40.965 42.059 -0.018 0.000 0.996 781 L HN 0.256 nan 8.230 nan 0.000 0.467 782 A N -1.062 121.777 122.820 0.031 0.000 1.933 782 A HA -0.287 4.034 4.320 0.001 0.000 0.218 782 A C 2.219 179.840 177.584 0.062 0.000 1.175 782 A CA 1.855 53.932 52.037 0.066 0.000 0.628 782 A CB -0.756 18.332 19.000 0.146 0.000 0.814 782 A HN 0.569 nan 8.150 nan 0.000 0.444 783 H N -0.219 118.830 119.070 -0.036 0.000 2.321 783 H HA -0.050 4.507 4.556 0.001 0.000 0.300 783 H C 1.771 177.002 175.328 -0.163 0.000 1.087 783 H CA 1.690 57.701 56.048 -0.061 0.000 1.319 783 H CB -0.182 29.556 29.762 -0.040 0.000 1.379 783 H HN 0.242 nan 8.280 nan 0.000 0.501 784 L N 0.641 121.617 121.223 -0.411 0.000 2.083 784 L HA -0.128 4.213 4.340 0.001 0.000 0.209 784 L C 2.433 178.877 176.870 -0.710 0.000 1.083 784 L CA 1.833 56.216 54.840 -0.760 0.000 0.752 784 L CB -1.247 40.086 42.059 -1.209 0.000 0.899 784 L HN 0.385 nan 8.230 nan 0.000 0.433 785 E N 0.269 120.202 120.200 -0.445 0.000 2.051 785 E HA -0.219 4.131 4.350 0.001 0.000 0.192 785 E C 2.153 178.693 176.600 -0.099 0.000 0.991 785 E CA 1.416 57.727 56.400 -0.148 0.000 0.799 785 E CB 0.050 29.738 29.700 -0.021 0.000 0.748 785 E HN 0.402 nan 8.360 nan 0.000 0.449 786 E N -0.324 119.815 120.200 -0.101 0.000 2.072 786 E HA -0.145 4.206 4.350 0.001 0.000 0.190 786 E C 1.958 178.492 176.600 -0.110 0.000 0.982 786 E CA 0.818 57.186 56.400 -0.052 0.000 0.803 786 E CB 0.064 29.772 29.700 0.013 0.000 0.755 786 E HN 0.237 nan 8.360 nan 0.000 0.453 787 E N 0.348 120.408 120.200 -0.233 0.000 2.077 787 E HA -0.215 4.135 4.350 0.001 0.000 0.193 787 E C 2.129 178.636 176.600 -0.155 0.000 0.989 787 E CA 0.762 57.020 56.400 -0.237 0.000 0.800 787 E CB -0.138 29.320 29.700 -0.404 0.000 0.746 787 E HN 0.175 nan 8.360 nan 0.000 0.452 788 R N 0.957 121.363 120.500 -0.157 0.000 2.092 788 R HA -0.151 4.190 4.340 0.001 0.000 0.231 788 R C 1.458 177.733 176.300 -0.043 0.000 1.119 788 R CA 1.739 57.792 56.100 -0.078 0.000 0.970 788 R CB 0.006 30.298 30.300 -0.013 0.000 0.864 788 R HN -0.015 nan 8.270 nan 0.000 0.440 789 D N 0.467 120.845 120.400 -0.037 0.000 2.144 789 D HA -0.130 4.511 4.640 0.001 0.000 0.200 789 D C 1.784 178.074 176.300 -0.016 0.000 0.978 789 D CA 0.837 54.827 54.000 -0.015 0.000 0.833 789 D CB -0.043 40.755 40.800 -0.003 0.000 0.961 789 D HN 0.127 nan 8.370 nan 0.000 0.470 790 L N 0.594 121.800 121.223 -0.028 0.000 2.046 790 L HA -0.081 4.260 4.340 0.001 0.000 0.208 790 L C 1.740 178.596 176.870 -0.023 0.000 1.077 790 L CA 1.482 56.308 54.840 -0.024 0.000 0.747 790 L CB -0.287 41.752 42.059 -0.034 0.000 0.896 790 L HN -0.083 nan 8.230 nan 0.000 0.432 791 K N -0.295 120.085 120.400 -0.033 0.000 2.630 791 K HA 0.042 4.363 4.320 0.001 0.000 0.204 791 K C 0.564 177.150 176.600 -0.023 0.000 1.024 791 K CA 0.476 56.745 56.287 -0.030 0.000 1.157 791 K CB -0.025 32.451 32.500 -0.041 0.000 0.899 791 K HN 0.435 nan 8.250 nan 0.000 0.501 792 I N -6.089 114.471 120.570 -0.015 0.000 5.008 792 I HA -0.046 4.125 4.170 0.001 0.000 0.374 792 I C 1.470 177.589 176.117 0.005 0.000 1.184 792 I CA -0.308 60.986 61.300 -0.010 0.000 1.455 792 I CB 0.027 38.018 38.000 -0.015 0.000 1.902 792 I HN -0.177 nan 8.210 nan 0.000 0.629 793 T N 0.589 115.147 114.554 0.006 0.000 2.565 793 T HA -0.270 4.081 4.350 0.001 0.000 0.265 793 T C 1.301 176.015 174.700 0.023 0.000 1.082 793 T CA 2.502 64.611 62.100 0.015 0.000 1.173 793 T CB -1.179 67.694 68.868 0.009 0.000 0.864 793 T HN 0.428 nan 8.240 nan 0.000 0.425 794 D N 1.707 122.117 120.400 0.016 0.000 2.230 794 D HA -0.144 4.497 4.640 0.001 0.000 0.189 794 D C 2.293 178.613 176.300 0.034 0.000 1.006 794 D CA 1.569 55.580 54.000 0.019 0.000 0.853 794 D CB -1.141 39.666 40.800 0.011 0.000 0.959 794 D HN 0.371 nan 8.370 nan 0.000 0.449 795 V N 1.006 120.939 119.914 0.030 0.000 2.324 795 V HA -0.251 3.870 4.120 0.001 0.000 0.250 795 V C 2.367 178.516 176.094 0.091 0.000 1.060 795 V CA 1.260 63.586 62.300 0.043 0.000 1.042 795 V CB -0.546 31.284 31.823 0.011 0.000 0.650 795 V HN 0.259 nan 8.190 nan 0.000 0.450 796 I N -0.569 120.049 120.570 0.080 0.000 2.394 796 I HA -0.162 4.009 4.170 0.001 0.000 0.251 796 I C 2.320 178.508 176.117 0.117 0.000 1.136 796 I CA 1.829 63.203 61.300 0.123 0.000 1.425 796 I CB -0.669 37.377 38.000 0.077 0.000 1.079 796 I HN 0.310 nan 8.210 nan 0.000 0.425 797 I N 0.895 121.507 120.570 0.070 0.000 2.286 797 I HA -0.179 3.992 4.170 0.001 0.000 0.245 797 I C 2.778 178.920 176.117 0.042 0.000 1.104 797 I CA 1.092 62.417 61.300 0.041 0.000 1.397 797 I CB -0.328 37.687 38.000 0.025 0.000 1.072 797 I HN 0.078 nan 8.210 nan 0.000 0.417 798 A N 0.715 123.575 122.820 0.067 0.000 1.858 798 A HA -0.270 4.051 4.320 0.001 0.000 0.216 798 A C 2.244 179.889 177.584 0.102 0.000 1.190 798 A CA 1.687 53.767 52.037 0.071 0.000 0.617 798 A CB -1.036 18.010 19.000 0.077 0.000 0.827 798 A HN 0.459 nan 8.150 nan 0.000 0.443 799 F N 0.498 120.445 119.950 -0.005 0.000 2.234 799 F HA -0.097 4.430 4.527 0.001 0.000 0.299 799 F C 2.311 178.110 175.800 -0.003 0.000 1.087 799 F CA 1.871 59.866 58.000 -0.008 0.000 1.340 799 F CB -0.514 38.477 39.000 -0.015 0.000 1.031 799 F HN 0.322 nan 8.300 nan 0.000 0.500 800 Q N 0.010 119.732 119.800 -0.130 0.000 2.096 800 Q HA -0.178 4.163 4.340 0.001 0.000 0.204 800 Q C 2.417 178.296 176.000 -0.201 0.000 0.982 800 Q CA 1.786 57.464 55.803 -0.208 0.000 0.850 800 Q CB -0.406 28.302 28.738 -0.051 0.000 0.901 800 Q HN 0.527 nan 8.270 nan 0.000 0.422 801 A N 0.240 122.991 122.820 -0.115 0.000 1.930 801 A HA -0.194 4.127 4.320 0.001 0.000 0.217 801 A C 1.949 179.477 177.584 -0.093 0.000 1.175 801 A CA 1.079 53.071 52.037 -0.077 0.000 0.627 801 A CB -0.312 18.669 19.000 -0.031 0.000 0.815 801 A HN 0.301 nan 8.150 nan 0.000 0.443 802 Q N -0.650 119.074 119.800 -0.126 0.000 2.079 802 Q HA -0.164 4.177 4.340 0.001 0.000 0.200 802 Q C 2.384 178.292 176.000 -0.154 0.000 0.974 802 Q CA 1.687 57.431 55.803 -0.098 0.000 0.840 802 Q CB -0.558 28.157 28.738 -0.039 0.000 0.898 802 Q HN 0.751 nan 8.270 nan 0.000 0.430 803 C N 0.349 119.421 119.300 -0.379 0.000 2.440 803 C HA -0.074 4.387 4.460 0.001 0.000 0.278 803 C C 2.725 177.656 174.990 -0.097 0.000 1.295 803 C CA 0.375 59.190 59.018 -0.339 0.000 1.738 803 C CB -0.847 26.544 27.740 -0.582 0.000 1.987 803 C HN 0.471 nan 8.230 nan 0.000 0.492 804 R N 0.763 121.201 120.500 -0.103 0.000 2.073 804 R HA -0.057 4.284 4.340 0.001 0.000 0.234 804 R C 2.531 178.830 176.300 -0.002 0.000 1.134 804 R CA 1.677 57.752 56.100 -0.041 0.000 0.952 804 R CB -0.815 29.455 30.300 -0.051 0.000 0.850 804 R HN 0.614 nan 8.270 nan 0.000 0.433 805 G N 0.277 109.077 108.800 0.001 0.000 2.446 805 G HA2 -0.342 3.619 3.960 0.001 0.000 0.217 805 G HA3 -0.342 3.619 3.960 0.001 0.000 0.217 805 G C 1.256 176.189 174.900 0.055 0.000 1.168 805 G CA 0.804 45.916 45.100 0.020 0.000 0.771 805 G HN 0.331 nan 8.290 nan 0.000 0.551 806 Y N 0.588 120.865 120.300 -0.038 0.000 2.145 806 Y HA -0.042 4.509 4.550 0.001 0.000 0.286 806 Y C 2.614 178.511 175.900 -0.004 0.000 1.145 806 Y CA 1.621 59.711 58.100 -0.016 0.000 1.148 806 Y CB -0.300 38.144 38.460 -0.028 0.000 0.981 806 Y HN 0.147 nan 8.280 nan 0.000 0.507 807 L N -0.319 120.982 121.223 0.130 0.000 2.017 807 L HA -0.196 4.145 4.340 0.001 0.000 0.208 807 L C 2.627 179.500 176.870 0.005 0.000 1.073 807 L CA 1.802 56.680 54.840 0.062 0.000 0.745 807 L CB -0.897 41.198 42.059 0.060 0.000 0.894 807 L HN 0.312 nan 8.230 nan 0.000 0.432 808 A N 0.087 122.910 122.820 0.005 0.000 1.865 808 A HA -0.219 4.102 4.320 0.001 0.000 0.217 808 A C 2.243 179.844 177.584 0.028 0.000 1.191 808 A CA 1.888 53.926 52.037 0.003 0.000 0.623 808 A CB -0.590 18.397 19.000 -0.022 0.000 0.826 808 A HN 0.502 nan 8.150 nan 0.000 0.444 809 R N -0.574 119.925 120.500 -0.000 0.000 2.189 809 R HA 0.010 4.351 4.340 0.001 0.000 0.218 809 R C 1.489 177.804 176.300 0.025 0.000 1.074 809 R CA 0.972 57.100 56.100 0.048 0.000 0.991 809 R CB -0.381 29.910 30.300 -0.015 0.000 0.883 809 R HN 0.360 nan 8.270 nan 0.000 0.457 810 K N 1.171 121.511 120.400 -0.100 0.000 2.098 810 K HA 0.122 4.443 4.320 0.001 0.000 0.203 810 K C 2.161 178.726 176.600 -0.059 0.000 1.051 810 K CA 1.166 57.360 56.287 -0.155 0.000 0.957 810 K CB -0.138 32.193 32.500 -0.283 0.000 0.738 810 K HN 0.158 nan 8.250 nan 0.000 0.447 811 A N 0.990 123.808 122.820 -0.004 0.000 1.898 811 A HA -0.147 4.174 4.320 0.001 0.000 0.216 811 A C 1.984 179.590 177.584 0.036 0.000 1.181 811 A CA 1.093 53.139 52.037 0.016 0.000 0.620 811 A CB -0.696 18.326 19.000 0.036 0.000 0.819 811 A HN 0.338 nan 8.150 nan 0.000 0.442 812 F N 1.143 121.062 119.950 -0.052 0.000 2.333 812 F HA 0.036 4.564 4.527 0.001 0.000 0.300 812 F C 2.151 177.924 175.800 -0.044 0.000 1.083 812 F CA 0.873 58.847 58.000 -0.044 0.000 1.395 812 F CB -0.247 38.727 39.000 -0.044 0.000 1.056 812 F HN 0.213 nan 8.300 nan 0.000 0.529 813 A N 0.901 123.518 122.820 -0.338 0.000 2.016 813 A HA -0.094 4.226 4.320 0.001 0.000 0.217 813 A C 2.254 179.662 177.584 -0.293 0.000 1.162 813 A CA 1.329 53.123 52.037 -0.404 0.000 0.662 813 A CB -0.647 18.240 19.000 -0.188 0.000 0.812 813 A HN 0.570 nan 8.150 nan 0.000 0.450 814 K N -0.833 119.453 120.400 -0.191 0.000 2.116 814 K HA -0.019 4.302 4.320 0.001 0.000 0.203 814 K C 2.011 178.534 176.600 -0.130 0.000 1.052 814 K CA 1.210 57.420 56.287 -0.128 0.000 0.952 814 K CB -0.181 32.274 32.500 -0.076 0.000 0.729 814 K HN 0.148 nan 8.250 nan 0.000 0.446 815 R N 1.037 121.453 120.500 -0.141 0.000 2.092 815 R HA 0.021 4.362 4.340 0.001 0.000 0.231 815 R C 2.340 178.554 176.300 -0.144 0.000 1.119 815 R CA 1.538 57.575 56.100 -0.105 0.000 0.970 815 R CB -0.170 30.099 30.300 -0.052 0.000 0.864 815 R HN 0.385 nan 8.270 nan 0.000 0.440 816 Q N -0.254 119.384 119.800 -0.270 0.000 2.170 816 Q HA -0.249 4.092 4.340 0.001 0.000 0.203 816 Q C 1.890 177.790 176.000 -0.168 0.000 0.976 816 Q CA 1.850 57.488 55.803 -0.274 0.000 0.858 816 Q CB 0.067 28.514 28.738 -0.485 0.000 0.907 816 Q HN 0.452 nan 8.270 nan 0.000 0.433 817 Q N 0.162 119.870 119.800 -0.154 0.000 2.123 817 Q HA -0.181 4.159 4.340 0.001 0.000 0.199 817 Q C 1.716 177.673 176.000 -0.072 0.000 0.966 817 Q CA 1.447 57.189 55.803 -0.103 0.000 0.845 817 Q CB -0.460 28.221 28.738 -0.094 0.000 0.907 817 Q HN 0.355 nan 8.270 nan 0.000 0.439 818 Q N 0.998 120.757 119.800 -0.069 0.000 2.050 818 Q HA -0.131 4.210 4.340 0.001 0.000 0.202 818 Q C 2.258 178.234 176.000 -0.040 0.000 0.980 818 Q CA 1.733 57.507 55.803 -0.047 0.000 0.840 818 Q CB -0.698 28.015 28.738 -0.041 0.000 0.898 818 Q HN 0.574 nan 8.270 nan 0.000 0.424 819 L N 0.076 121.273 121.223 -0.044 0.000 2.013 819 L HA -0.000 4.340 4.340 0.001 0.000 0.212 819 L C 2.300 179.151 176.870 -0.031 0.000 1.073 819 L CA 2.467 57.287 54.840 -0.033 0.000 0.753 819 L CB -1.439 40.600 42.059 -0.034 0.000 0.890 819 L HN 0.123 nan 8.230 nan 0.000 0.432 820 G N -0.719 108.057 108.800 -0.039 0.000 2.443 820 G HA2 -0.104 3.857 3.960 0.001 0.000 0.219 820 G HA3 -0.104 3.857 3.960 0.001 0.000 0.219 820 G C 0.931 175.815 174.900 -0.028 0.000 1.131 820 G CA 0.655 45.735 45.100 -0.034 0.000 0.775 820 G HN 0.491 nan 8.290 nan 0.000 0.547 821 S N 0.000 115.683 115.700 -0.029 0.000 2.498 821 S HA 0.000 4.471 4.470 0.001 0.000 0.327 821 S CA 0.000 58.186 58.200 -0.024 0.000 1.107 821 S CB 0.000 63.185 63.200 -0.025 0.000 0.593 821 S HN 0.000 nan 8.310 nan 0.000 0.517