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_E 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 4.810 4.340 -0.001 0.000 0.262 3 Q C -0.211 175.728 176.000 -0.102 0.000 1.050 3 Q CA -0.647 55.103 55.803 -0.089 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 1.347 121.673 120.400 -0.123 0.000 2.443 4 K HA -0.033 4.287 4.320 -0.001 0.000 0.268 4 K C -2.125 174.389 176.600 -0.143 0.000 0.971 4 K CA -0.119 56.088 56.287 -0.134 0.000 0.902 4 K CB -0.121 32.277 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 -1.661 175.560 177.300 -0.131 0.000 1.337 5 P CA -0.650 62.385 63.100 -0.109 0.000 0.889 5 P CB 0.869 32.526 31.700 -0.071 0.000 1.050 6 L N 1.076 122.222 121.223 -0.128 0.000 2.376 6 L HA 0.570 4.910 4.340 -0.001 0.000 0.275 6 L C 0.897 177.723 176.870 -0.074 0.000 0.987 6 L CA -0.794 53.973 54.840 -0.121 0.000 0.828 6 L CB 1.298 43.262 42.059 -0.159 0.000 1.249 6 L HN 0.375 nan 8.230 nan 0.000 0.409 7 S N -0.074 115.594 115.700 -0.053 0.000 2.586 7 S HA -0.077 4.393 4.470 -0.001 0.000 0.256 7 S C 0.867 175.430 174.600 -0.061 0.000 1.392 7 S CA 0.542 58.718 58.200 -0.040 0.000 0.983 7 S CB 0.268 63.459 63.200 -0.016 0.000 0.897 7 S HN 0.819 nan 8.310 nan 0.000 0.566 8 D N 0.371 120.730 120.400 -0.068 0.000 2.228 8 D HA -0.130 4.510 4.640 -0.001 0.000 0.203 8 D C 0.989 177.169 176.300 -0.201 0.000 0.988 8 D CA 1.636 55.554 54.000 -0.137 0.000 0.864 8 D CB -0.636 40.115 40.800 -0.081 0.000 0.928 8 D HN 0.607 nan 8.370 nan 0.000 0.469 9 D N 0.378 120.754 120.400 -0.039 0.000 2.137 9 D HA -0.056 4.583 4.640 -0.001 0.000 0.202 9 D C 1.674 178.033 176.300 0.099 0.000 0.970 9 D CA 0.782 54.836 54.000 0.090 0.000 0.837 9 D CB -0.279 40.596 40.800 0.124 0.000 0.981 9 D HN 0.263 nan 8.370 nan 0.000 0.475 10 E N 0.258 120.499 120.200 0.068 0.000 2.418 10 E HA -0.010 4.340 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 56.933 56.400 0.168 0.000 0.862 10 E CB 0.090 29.873 29.700 0.139 0.000 0.799 10 E HN 0.148 nan 8.360 nan 0.000 0.518 11 K N -0.290 120.069 120.400 -0.068 0.000 2.546 11 K HA 0.034 4.353 4.320 -0.001 0.000 0.198 11 K C -0.092 176.359 176.600 -0.248 0.000 1.028 11 K CA 0.146 56.330 56.287 -0.171 0.000 1.150 11 K CB 0.281 32.606 32.500 -0.292 0.000 0.876 11 K HN 0.099 nan 8.250 nan 0.000 0.508 12 F N -1.149 118.826 119.950 0.042 0.000 2.831 12 F HA 0.210 4.737 4.527 -0.001 0.000 0.334 12 F C 1.207 176.989 175.800 -0.030 0.000 1.071 12 F CA -0.174 57.829 58.000 0.005 0.000 1.172 12 F CB 0.426 39.415 39.000 -0.018 0.000 1.054 12 F HN -0.109 nan 8.300 nan 0.000 0.572 13 L N -2.035 119.263 121.223 0.124 0.000 2.453 13 L HA 0.212 4.552 4.340 -0.001 0.000 0.190 13 L C 0.395 177.131 176.870 -0.223 0.000 1.093 13 L CA 0.368 55.143 54.840 -0.109 0.000 0.834 13 L CB -0.299 41.603 42.059 -0.262 0.000 1.090 13 L HN -0.217 nan 8.230 nan 0.000 0.489 14 F N -0.268 119.685 119.950 0.006 0.000 2.291 14 F HA 0.424 4.951 4.527 -0.000 0.000 0.305 14 F C 0.437 176.214 175.800 -0.038 0.000 1.171 14 F CA -0.820 57.163 58.000 -0.027 0.000 1.090 14 F CB 0.372 39.337 39.000 -0.058 0.000 1.436 14 F HN -0.339 nan 8.300 nan 0.000 0.509 15 V N -1.619 118.393 119.914 0.164 0.000 3.166 15 V HA 0.443 4.563 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 0.029 0.000 1.035 15 V CB 1.721 33.547 31.823 0.005 0.000 1.110 15 V HN 0.433 nan 8.190 nan 0.000 0.450 16 D N 0.931 121.229 120.400 -0.170 0.000 2.467 16 D HA 0.350 4.990 4.640 -0.001 0.000 0.220 16 D C 0.413 176.373 176.300 -0.567 0.000 1.103 16 D CA 0.005 53.776 54.000 -0.383 0.000 0.886 16 D CB 1.532 42.070 40.800 -0.437 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 4.435 4.320 -0.001 0.000 0.199 17 K C 0.469 176.875 176.600 -0.323 0.000 1.061 17 K CA -0.114 55.978 56.287 -0.324 0.000 0.976 17 K CB 0.458 32.859 32.500 -0.165 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 4.680 4.740 -0.001 0.000 0.295 18 N C -1.145 174.404 175.510 0.065 0.000 1.240 18 N CA 0.815 53.795 53.050 -0.116 0.000 1.085 18 N CB -0.033 38.405 38.487 -0.081 0.000 1.465 18 N HN -0.027 nan 8.380 nan 0.000 0.496 19 F N -0.578 119.354 119.950 -0.030 0.000 2.706 19 F HA 0.300 4.827 4.527 -0.001 0.000 0.328 19 F C 0.358 176.140 175.800 -0.030 0.000 1.123 19 F CA -1.268 56.716 58.000 -0.027 0.000 0.978 19 F CB 0.359 39.347 39.000 -0.021 0.000 1.404 19 F HN -0.213 nan 8.300 nan 0.000 0.497 20 V N 3.103 123.103 119.914 0.143 0.000 2.637 20 V HA 0.143 4.263 4.120 -0.001 0.000 0.296 20 V C 0.443 176.561 176.094 0.039 0.000 1.046 20 V CA -0.516 61.807 62.300 0.038 0.000 1.066 20 V CB 0.499 32.302 31.823 -0.034 0.000 0.968 20 V HN 0.674 nan 8.190 nan 0.000 0.483 21 N N 5.356 124.063 118.700 0.011 0.000 2.926 21 N HA -0.060 4.680 4.740 -0.001 0.000 0.284 21 N C 0.299 175.793 175.510 -0.027 0.000 1.303 21 N CA 0.292 53.337 53.050 -0.009 0.000 1.062 21 N CB -0.955 37.516 38.487 -0.026 0.000 1.389 21 N HN 0.924 nan 8.380 nan 0.000 0.538 22 N N 1.254 119.943 118.700 -0.017 0.000 2.131 22 N HA -0.084 4.656 4.740 -0.001 0.000 0.276 22 N C -1.639 173.844 175.510 -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 0.969 178.232 177.300 -0.061 0.000 1.268 23 P CA -0.048 63.003 63.100 -0.082 0.000 0.833 23 P CB 0.351 32.001 31.700 -0.082 0.000 1.231 24 L N 0.456 121.657 121.223 -0.036 0.000 1.973 24 L HA -0.059 4.280 4.340 -0.001 0.000 0.208 24 L C 2.442 179.312 176.870 0.000 0.000 1.073 24 L CA 2.329 57.159 54.840 -0.016 0.000 0.746 24 L CB -1.775 40.276 42.059 -0.014 0.000 0.891 24 L HN -0.002 nan 8.230 nan 0.000 0.433 25 A N -1.347 121.478 122.820 0.007 0.000 1.972 25 A HA -0.216 4.103 4.320 -0.001 0.000 0.219 25 A C 2.149 179.756 177.584 0.037 0.000 1.169 25 A CA 1.235 53.292 52.037 0.033 0.000 0.635 25 A CB -0.342 18.684 19.000 0.044 0.000 0.810 25 A HN 0.448 nan 8.150 nan 0.000 0.446 26 Q N -0.738 119.049 119.800 -0.023 0.000 2.187 26 Q HA 0.081 4.420 4.340 -0.001 0.000 0.199 26 Q C 2.351 178.253 176.000 -0.163 0.000 0.957 26 Q CA 1.296 57.035 55.803 -0.106 0.000 0.857 26 Q CB -0.499 28.111 28.738 -0.213 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 4.128 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 -0.827 18.177 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 0.150 0.000 2.322 28 D HA -0.213 4.427 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 0.084 0.000 0.905 28 D HN 0.770 nan 8.370 nan 0.000 0.483 29 W N 1.229 122.527 121.300 -0.002 0.000 2.321 29 W HA -0.190 4.470 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 0.002 0.000 1.205 29 W CB -1.508 27.959 29.460 0.011 0.000 1.134 29 W HN -0.095 nan 8.180 nan 0.000 0.549 30 S N 1.729 117.475 115.700 0.076 0.000 2.359 30 S HA -0.041 4.429 4.470 -0.001 0.000 0.224 30 S C 1.841 176.357 174.600 -0.140 0.000 1.035 30 S CA 1.883 59.965 58.200 -0.197 0.000 1.018 30 S CB -0.982 62.247 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 -0.038 0.000 2.711 31 A HA 0.092 4.411 4.320 -0.001 0.000 0.242 31 A C 1.374 178.918 177.584 -0.068 0.000 1.607 31 A CA -0.177 51.831 52.037 -0.049 0.000 1.370 31 A CB -0.532 18.455 19.000 -0.023 0.000 0.934 31 A HN 0.452 nan 8.150 nan 0.000 0.628 32 K N 0.369 120.703 120.400 -0.109 0.000 2.520 32 K HA -0.152 4.167 4.320 -0.001 0.000 0.197 32 K C 0.363 176.913 176.600 -0.084 0.000 1.044 32 K CA 0.735 56.962 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 0.077 4.397 4.320 -0.001 0.000 0.192 33 K C 0.740 177.291 176.600 -0.082 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 -0.060 0.000 0.821 33 K HN 0.257 nan 8.250 nan 0.000 0.502 34 L N 2.056 123.217 121.223 -0.103 0.000 2.315 34 L HA 0.084 4.423 4.340 -0.001 0.000 0.283 34 L C 0.249 176.991 176.870 -0.214 0.000 1.089 34 L CA -0.386 54.360 54.840 -0.156 0.000 0.833 34 L CB 0.650 42.613 42.059 -0.160 0.000 1.170 34 L HN -0.122 nan 8.230 nan 0.000 0.442 35 V N 1.217 120.987 119.914 -0.240 0.000 3.271 35 V HA 0.601 4.721 4.120 -0.001 0.000 0.305 35 V C -0.944 174.907 176.094 -0.404 0.000 1.303 35 V CA -1.041 61.108 62.300 -0.251 0.000 1.038 35 V CB 1.431 33.220 31.823 -0.057 0.000 1.197 35 V HN 0.701 nan 8.190 nan 0.000 0.478 36 W N -0.770 120.510 121.300 -0.032 0.000 2.671 36 W HA 0.857 5.517 4.660 -0.000 0.000 0.360 36 W C -0.552 176.009 176.519 0.071 0.000 1.128 36 W CA -0.080 57.260 57.345 -0.008 0.000 1.184 36 W CB 1.904 31.302 29.460 -0.103 0.000 1.415 36 W HN 0.774 nan 8.180 nan 0.000 0.604 37 V N -2.121 118.075 119.914 0.470 0.000 3.278 37 V HA 0.454 4.574 4.120 -0.001 0.000 0.288 37 V C -2.621 173.689 176.094 0.360 0.000 1.514 37 V CA -2.599 59.907 62.300 0.343 0.000 1.051 37 V CB 0.896 32.825 31.823 0.177 0.000 1.163 37 V HN 0.362 nan 8.190 nan 0.000 0.458 38 P HA 0.226 nan 4.420 nan 0.000 0.274 38 P C -0.088 177.242 177.300 0.050 0.000 1.248 38 P CA 0.725 63.863 63.100 0.062 0.000 0.827 38 P CB 0.421 32.156 31.700 0.058 0.000 0.972 39 S N -2.167 113.546 115.700 0.022 0.000 2.678 39 S HA 0.117 4.586 4.470 -0.001 0.000 0.290 39 S C 0.075 174.777 174.600 0.169 0.000 1.047 39 S CA -0.542 57.704 58.200 0.076 0.000 0.851 39 S CB 0.563 63.815 63.200 0.087 0.000 1.058 39 S HN 0.445 nan 8.310 nan 0.000 0.451 40 E N 0.840 121.140 120.200 0.166 0.000 2.307 40 E HA 0.257 4.607 4.350 -0.001 0.000 0.195 40 E C 1.179 177.953 176.600 0.289 0.000 0.975 40 E CA -0.007 56.503 56.400 0.184 0.000 0.878 40 E CB 0.214 29.958 29.700 0.074 0.000 0.845 40 E HN 0.419 nan 8.360 nan 0.000 0.488 41 K N -0.744 119.804 120.400 0.246 0.000 2.365 41 K HA 0.077 4.397 4.320 -0.001 0.000 0.195 41 K C 0.981 177.723 176.600 0.236 0.000 1.079 41 K CA 0.515 56.950 56.287 0.246 0.000 0.979 41 K CB 0.495 33.140 32.500 0.241 0.000 0.929 41 K HN 0.086 nan 8.250 nan 0.000 0.523 42 H N -1.122 117.970 119.070 0.037 0.000 2.729 42 H HA 0.158 4.714 4.556 -0.001 0.000 0.263 42 H C 1.272 176.502 175.328 -0.162 0.000 0.961 42 H CA 0.891 56.941 56.048 0.003 0.000 1.217 42 H CB 1.078 30.886 29.762 0.076 0.000 1.447 42 H HN 0.390 nan 8.280 nan 0.000 0.496 43 G N -0.072 108.577 108.800 -0.252 0.000 2.990 43 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.225 43 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.225 43 G C 0.181 174.689 174.900 -0.653 0.000 1.304 43 G CA 0.754 45.400 45.100 -0.756 0.000 0.816 43 G HN 0.253 nan 8.290 nan 0.000 0.528 44 F N 1.316 121.306 119.950 0.068 0.000 2.650 44 F HA 0.708 5.235 4.527 -0.001 0.000 0.320 44 F C 0.002 175.988 175.800 0.311 0.000 1.091 44 F CA -0.289 57.813 58.000 0.171 0.000 0.962 44 F CB 2.189 41.225 39.000 0.060 0.000 1.363 44 F HN 0.603 nan 8.300 nan 0.000 0.482 45 E N 0.137 120.743 120.200 0.677 0.000 2.393 45 E HA 0.650 5.000 4.350 -0.001 0.000 0.282 45 E C -1.964 174.742 176.600 0.177 0.000 1.096 45 E CA -1.295 55.354 56.400 0.415 0.000 0.866 45 E CB 1.072 30.881 29.700 0.182 0.000 1.232 45 E HN 0.717 nan 8.360 nan 0.000 0.431 46 A N 1.265 123.954 122.820 -0.218 0.000 2.351 46 A HA 0.837 5.157 4.320 -0.001 0.000 0.257 46 A C -0.094 177.356 177.584 -0.223 0.000 1.087 46 A CA 0.351 52.087 52.037 -0.502 0.000 0.798 46 A CB 0.699 19.331 19.000 -0.613 0.000 1.033 46 A HN 1.232 nan 8.150 nan 0.000 0.488 47 A N 0.519 123.209 122.820 -0.216 0.000 2.594 47 A HA 0.627 4.947 4.320 -0.001 0.000 0.296 47 A C -0.505 177.012 177.584 -0.111 0.000 1.056 47 A CA -0.083 51.886 52.037 -0.114 0.000 0.693 47 A CB 0.728 19.698 19.000 -0.050 0.000 1.278 47 A HN 1.276 nan 8.150 nan 0.000 0.408 48 S N 0.651 116.303 115.700 -0.079 0.000 2.472 48 S HA 0.631 5.100 4.470 -0.001 0.000 0.303 48 S C -0.160 174.413 174.600 -0.045 0.000 1.099 48 S CA -0.451 57.708 58.200 -0.068 0.000 1.077 48 S CB 0.381 63.543 63.200 -0.064 0.000 1.031 48 S HN 0.542 nan 8.310 nan 0.000 0.487 49 I N 5.153 125.698 120.570 -0.041 0.000 2.664 49 I HA 0.042 4.211 4.170 -0.001 0.000 0.284 49 I C 1.294 177.395 176.117 -0.026 0.000 1.154 49 I CA 0.201 61.484 61.300 -0.028 0.000 1.402 49 I CB 0.541 38.525 38.000 -0.027 0.000 1.395 49 I HN 0.597 nan 8.210 nan 0.000 0.545 50 K N 5.242 125.629 120.400 -0.020 0.000 2.308 50 K HA 0.201 4.520 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 1.165 121.357 120.200 -0.013 0.000 2.522 51 E HA 0.072 4.421 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 1.405 31.099 29.700 -0.009 0.000 1.323 51 E HN -0.022 nan 8.360 nan 0.000 0.397 52 E N 4.046 124.240 120.200 -0.010 0.000 1.996 52 E HA 0.116 4.466 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 2.272 122.670 120.400 -0.004 0.000 2.745 53 K HA 0.096 4.416 4.320 -0.001 0.000 0.223 53 K C 0.794 177.392 176.600 -0.002 0.000 1.057 53 K CA 0.195 56.480 56.287 -0.003 0.000 1.217 53 K CB 0.372 32.871 32.500 -0.002 0.000 0.993 53 K HN 0.793 nan 8.250 nan 0.000 0.478 54 G N 1.827 110.625 108.800 -0.003 0.000 2.603 54 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.245 54 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.245 54 G C 0.493 175.392 174.900 -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 1.827 122.227 120.400 0.000 0.000 2.351 55 D HA 0.035 4.674 4.640 -0.001 0.000 0.216 55 D C 0.368 176.671 176.300 0.005 0.000 0.968 55 D CA 1.387 55.388 54.000 0.002 0.000 0.899 55 D CB 0.148 40.949 40.800 0.002 0.000 0.907 55 D HN 0.417 nan 8.370 nan 0.000 0.514 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 -1.165 175.438 176.600 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 1.900 121.818 119.914 0.007 0.000 2.555 57 V HA 0.490 4.610 4.120 -0.001 0.000 0.302 57 V C -0.008 176.088 176.094 0.004 0.000 1.038 57 V CA -0.966 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 5.021 4.350 -0.001 0.000 0.296 58 T C -0.523 174.175 174.700 -0.004 0.000 0.949 58 T CA -0.284 61.815 62.100 -0.001 0.000 1.101 58 T CB 0.786 69.652 68.868 -0.003 0.000 0.905 58 T HN 0.622 nan 8.240 nan 0.000 0.516 59 V N 1.888 121.801 119.914 -0.002 0.000 3.130 59 V HA 0.722 4.842 4.120 -0.001 0.000 0.310 59 V C -0.568 175.521 176.094 -0.008 0.000 1.158 59 V CA -1.153 61.143 62.300 -0.007 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 2.131 122.321 120.200 -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 -0.823 55.567 56.400 -0.018 0.000 0.798 60 E CB 1.856 31.546 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 -0.024 0.000 2.540 61 L HA 0.074 4.413 4.340 -0.001 0.000 0.276 61 L C 0.993 177.837 176.870 -0.044 0.000 1.212 61 L CA 0.142 54.961 54.840 -0.035 0.000 0.893 61 L CB 0.046 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 0.709 120.472 119.800 -0.061 0.000 2.283 62 Q HA -0.023 4.317 4.340 -0.001 0.000 0.223 62 Q C 0.567 176.540 176.000 -0.046 0.000 0.918 62 Q CA 0.587 56.356 55.803 -0.055 0.000 0.952 62 Q CB 0.135 28.830 28.738 -0.072 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 2.870 63 E HA 0.084 4.434 4.350 -0.001 0.000 0.185 63 E C 0.725 177.303 176.600 -0.037 0.000 1.084 63 E CA 0.619 56.993 56.400 -0.044 0.000 1.246 63 E CB -0.074 29.586 29.700 -0.067 0.000 1.382 63 E HN 0.374 nan 8.360 nan 0.000 0.492 64 N N 0.148 118.825 118.700 -0.038 0.000 2.251 64 N HA 0.128 4.868 4.740 -0.001 0.000 0.217 64 N C 0.259 175.757 175.510 -0.021 0.000 1.124 64 N CA 0.605 53.638 53.050 -0.028 0.000 0.843 64 N CB 0.854 39.324 38.487 -0.029 0.000 1.024 64 N HN 0.390 nan 8.380 nan 0.000 0.501 65 G N 1.429 110.215 108.800 -0.023 0.000 2.219 65 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.271 65 G HA3 -0.302 3.658 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 0.502 45.591 45.100 -0.019 0.000 0.685 65 G HN 0.200 nan 8.290 nan 0.000 0.531 66 K N 0.354 120.744 120.400 -0.017 0.000 2.451 66 K HA 0.183 4.502 4.320 -0.001 0.000 0.280 66 K C 0.500 177.094 176.600 -0.010 0.000 1.020 66 K CA -0.037 56.243 56.287 -0.012 0.000 1.008 66 K CB 0.668 33.161 32.500 -0.012 0.000 0.917 66 K HN 0.195 nan 8.250 nan 0.000 0.478 67 K N 3.077 123.472 120.400 -0.007 0.000 2.180 67 K HA 0.147 4.466 4.320 -0.001 0.000 0.250 67 K C -0.913 175.686 176.600 -0.001 0.000 1.135 67 K CA -0.220 56.064 56.287 -0.005 0.000 1.037 67 K CB 0.316 32.813 32.500 -0.005 0.000 1.624 67 K HN 0.165 nan 8.250 nan 0.000 0.382 68 V N 3.378 123.293 119.914 0.002 0.000 2.334 68 V HA 0.172 4.291 4.120 -0.001 0.000 0.267 68 V C 0.189 176.290 176.094 0.012 0.000 1.040 68 V CA -0.525 61.781 62.300 0.009 0.000 0.866 68 V CB 1.186 33.018 31.823 0.014 0.000 1.019 68 V HN 0.593 nan 8.190 nan 0.000 0.468 69 T N 6.761 121.322 114.554 0.011 0.000 2.922 69 T HA 0.803 5.153 4.350 -0.001 0.000 0.285 69 T C -0.240 174.470 174.700 0.018 0.000 1.005 69 T CA -0.084 62.023 62.100 0.012 0.000 1.061 69 T CB 1.077 69.949 68.868 0.007 0.000 1.007 69 T HN 0.383 nan 8.240 nan 0.000 0.502 70 L N 0.047 121.282 121.223 0.021 0.000 2.654 70 L HA 0.488 4.827 4.340 -0.001 0.000 0.257 70 L C 0.166 177.050 176.870 0.023 0.000 1.093 70 L CA -1.104 53.752 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 -0.201 115.514 115.700 0.025 0.000 2.580 71 S HA 0.025 4.495 4.470 -0.001 0.000 0.266 71 S C 0.651 175.265 174.600 0.024 0.000 1.354 71 S CA -0.045 58.168 58.200 0.021 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 0.978 121.389 120.400 0.017 0.000 2.591 72 K HA -0.006 4.314 4.320 -0.001 0.000 0.197 72 K C -0.392 176.220 176.600 0.020 0.000 1.026 72 K CA 0.785 57.081 56.287 0.016 0.000 1.127 72 K CB -0.573 31.932 32.500 0.008 0.000 0.871 72 K HN 0.702 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 4.710 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 -0.420 53.598 54.000 0.031 0.000 0.790 73 D CB 0.727 41.540 40.800 0.021 0.000 1.155 73 D HN -0.017 nan 8.370 nan 0.000 0.456 74 D N 0.156 120.592 120.400 0.060 0.000 2.498 74 D HA 0.207 4.846 4.640 -0.001 0.000 0.223 74 D C 0.996 177.368 176.300 0.120 0.000 1.125 74 D CA -0.213 53.838 54.000 0.085 0.000 0.835 74 D CB 1.057 41.899 40.800 0.070 0.000 1.086 74 D HN 0.482 nan 8.370 nan 0.000 0.510 75 I N -1.818 118.812 120.570 0.100 0.000 3.468 75 I HA 0.461 4.631 4.170 -0.001 0.000 0.276 75 I C -0.440 175.758 176.117 0.135 0.000 1.182 75 I CA -0.541 60.830 61.300 0.119 0.000 0.881 75 I CB 0.684 38.728 38.000 0.074 0.000 1.609 75 I HN -0.298 nan 8.210 nan 0.000 0.780 76 Q N 0.451 120.349 119.800 0.163 0.000 2.430 76 Q HA 0.282 4.622 4.340 -0.001 0.000 0.253 76 Q C -1.710 174.443 176.000 0.254 0.000 0.945 76 Q CA -0.848 55.051 55.803 0.160 0.000 0.964 76 Q CB 1.888 30.683 28.738 0.095 0.000 1.460 76 Q HN 0.590 nan 8.270 nan 0.000 0.428 77 K N 2.458 122.950 120.400 0.152 0.000 2.437 77 K HA 0.050 4.370 4.320 -0.001 0.000 0.277 77 K C -0.172 176.603 176.600 0.291 0.000 1.073 77 K CA 0.622 56.995 56.287 0.143 0.000 1.105 77 K CB 0.219 32.754 32.500 0.058 0.000 0.881 77 K HN 0.449 nan 8.250 nan 0.000 0.475 78 M N 2.734 122.470 119.600 0.227 0.000 2.274 78 M HA 0.113 4.592 4.480 -0.001 0.000 0.344 78 M C -0.173 176.252 176.300 0.209 0.000 1.161 78 M CA -0.223 55.262 55.300 0.309 0.000 1.126 78 M CB 0.813 33.301 32.600 -0.185 0.000 1.522 78 M HN 0.539 nan 8.290 nan 0.000 0.461 79 N N 3.481 122.339 118.700 0.264 0.000 2.498 79 N HA 0.468 5.208 4.740 -0.001 0.000 0.287 79 N C -2.526 173.139 175.510 0.258 0.000 1.097 79 N CA -1.358 51.783 53.050 0.151 0.000 0.973 79 N CB 0.983 39.473 38.487 0.005 0.000 1.153 79 N HN 0.365 nan 8.380 nan 0.000 0.472 80 P HA 0.023 nan 4.420 nan 0.000 0.266 80 P C -1.900 175.623 177.300 0.371 0.000 1.186 80 P CA -0.632 62.680 63.100 0.354 0.000 0.767 80 P CB 0.123 32.065 31.700 0.403 0.000 0.820 81 P HA -0.105 nan 4.420 nan 0.000 0.239 81 P C 0.921 178.310 177.300 0.148 0.000 1.184 81 P CA 0.967 64.190 63.100 0.206 0.000 0.760 81 P CB 0.074 31.864 31.700 0.150 0.000 0.884 82 K N -0.355 120.106 120.400 0.102 0.000 2.525 82 K HA -0.012 4.308 4.320 -0.001 0.000 0.192 82 K C 0.457 176.874 176.600 -0.306 0.000 1.029 82 K CA 0.563 56.774 56.287 -0.126 0.000 1.029 82 K CB -0.238 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 0.098 120.101 119.950 0.088 0.000 2.728 83 F HA 0.241 4.768 4.527 -0.001 0.000 0.314 83 F C 0.742 176.594 175.800 0.086 0.000 1.094 83 F CA -0.518 57.532 58.000 0.082 0.000 1.217 83 F CB 0.485 39.543 39.000 0.095 0.000 1.056 83 F HN -0.225 nan 8.300 nan 0.000 0.577 84 S N 1.986 117.837 115.700 0.252 0.000 2.885 84 S HA -0.056 4.413 4.470 -0.001 0.000 0.334 84 S C 0.550 175.225 174.600 0.124 0.000 1.224 84 S CA 0.401 58.711 58.200 0.184 0.000 1.080 84 S CB -0.592 62.700 63.200 0.153 0.000 0.801 84 S HN 0.445 nan 8.310 nan 0.000 0.510 85 K N 0.383 120.846 120.400 0.106 0.000 3.162 85 K HA -0.149 4.171 4.320 -0.001 0.000 0.268 85 K C -0.265 176.387 176.600 0.086 0.000 1.062 85 K CA 0.266 56.599 56.287 0.078 0.000 0.769 85 K CB -2.022 30.514 32.500 0.060 0.000 1.274 85 K HN 0.416 nan 8.250 nan 0.000 0.478 86 V N 1.190 121.182 119.914 0.131 0.000 2.740 86 V HA -0.041 4.079 4.120 -0.001 0.000 0.303 86 V C 1.701 177.843 176.094 0.080 0.000 1.054 86 V CA 0.181 62.567 62.300 0.144 0.000 1.106 86 V CB 1.109 33.096 31.823 0.274 0.000 0.957 86 V HN 0.369 nan 8.190 nan 0.000 0.486 87 E N 3.194 123.418 120.200 0.041 0.000 2.007 87 E HA -0.098 4.252 4.350 -0.001 0.000 0.194 87 E C 0.553 177.140 176.600 -0.022 0.000 0.999 87 E CA 1.240 57.615 56.400 -0.041 0.000 0.811 87 E CB -0.081 29.557 29.700 -0.104 0.000 0.762 87 E HN 0.832 nan 8.360 nan 0.000 0.450 88 D N 0.024 120.447 120.400 0.038 0.000 2.473 88 D HA 0.129 4.769 4.640 -0.001 0.000 0.226 88 D C 0.675 177.029 176.300 0.091 0.000 1.089 88 D CA -0.164 53.905 54.000 0.114 0.000 0.883 88 D CB 0.578 41.470 40.800 0.154 0.000 1.029 88 D HN -0.058 nan 8.370 nan 0.000 0.517 89 M N 2.202 121.836 119.600 0.057 0.000 2.617 89 M HA -0.174 4.306 4.480 -0.001 0.000 0.258 89 M C 1.691 177.986 176.300 -0.007 0.000 1.067 89 M CA 0.816 56.124 55.300 0.014 0.000 1.057 89 M CB 0.192 32.782 32.600 -0.017 0.000 1.397 89 M HN 0.473 nan 8.290 nan 0.000 0.499 90 A N -0.516 122.312 122.820 0.014 0.000 2.119 90 A HA -0.111 4.209 4.320 -0.001 0.000 0.217 90 A C 1.806 179.406 177.584 0.026 0.000 1.153 90 A CA 1.240 53.286 52.037 0.014 0.000 0.692 90 A CB -0.329 18.688 19.000 0.028 0.000 0.799 90 A HN 0.459 nan 8.150 nan 0.000 0.458 91 E N -0.345 119.888 120.200 0.056 0.000 2.216 91 E HA 0.075 4.424 4.350 -0.001 0.000 0.192 91 E C -0.118 176.462 176.600 -0.034 0.000 0.988 91 E CA -0.151 56.312 56.400 0.105 0.000 0.834 91 E CB -0.248 29.589 29.700 0.229 0.000 0.772 91 E HN 0.630 nan 8.360 nan 0.000 0.479 92 L N 1.736 122.836 121.223 -0.204 0.000 2.601 92 L HA -0.077 4.263 4.340 -0.001 0.000 0.277 92 L C 1.631 178.264 176.870 -0.395 0.000 1.219 92 L CA 0.258 54.768 54.840 -0.550 0.000 0.915 92 L CB 0.252 42.118 42.059 -0.322 0.000 1.160 92 L HN 0.176 nan 8.230 nan 0.000 0.494 93 T N -1.718 112.528 114.554 -0.514 0.000 2.995 93 T HA -0.028 4.322 4.350 -0.001 0.000 0.269 93 T C 0.587 175.209 174.700 -0.131 0.000 1.091 93 T CA 0.074 62.058 62.100 -0.193 0.000 1.128 93 T CB -0.282 68.541 68.868 -0.076 0.000 0.891 93 T HN 0.602 nan 8.240 nan 0.000 0.492 94 C N 1.811 121.012 119.300 -0.165 0.000 2.316 94 C HA 0.679 5.138 4.460 -0.001 0.000 0.324 94 C C -0.103 174.821 174.990 -0.110 0.000 1.226 94 C CA -1.568 57.396 59.018 -0.091 0.000 1.450 94 C CB -0.378 27.339 27.740 -0.039 0.000 2.123 94 C HN 0.515 nan 8.230 nan 0.000 0.454 95 L N 4.447 125.617 121.223 -0.088 0.000 2.257 95 L HA 0.402 4.742 4.340 -0.001 0.000 0.290 95 L C -0.461 176.346 176.870 -0.104 0.000 1.044 95 L CA 0.494 55.279 54.840 -0.092 0.000 0.810 95 L CB 0.446 42.474 42.059 -0.052 0.000 1.193 95 L HN 0.831 nan 8.230 nan 0.000 0.425 96 N N 1.474 120.073 118.700 -0.168 0.000 2.571 96 N HA 0.198 4.937 4.740 -0.001 0.000 0.273 96 N C 0.094 175.441 175.510 -0.270 0.000 1.340 96 N CA -0.825 52.093 53.050 -0.221 0.000 0.789 96 N CB 1.310 39.604 38.487 -0.322 0.000 1.514 96 N HN 0.382 nan 8.380 nan 0.000 0.499 97 E N 0.251 120.298 120.200 -0.255 0.000 2.204 97 E HA -0.085 4.264 4.350 -0.001 0.000 0.194 97 E C 1.059 177.370 176.600 -0.482 0.000 0.989 97 E CA 0.759 57.053 56.400 -0.177 0.000 0.824 97 E CB 0.090 29.815 29.700 0.042 0.000 0.756 97 E HN 0.649 nan 8.360 nan 0.000 0.477 98 A N 0.017 122.162 122.820 -1.126 0.000 1.887 98 A HA -0.005 4.315 4.320 -0.001 0.000 0.212 98 A C 2.365 179.186 177.584 -1.272 0.000 1.198 98 A CA 0.836 51.704 52.037 -1.949 0.000 0.628 98 A CB -0.389 17.090 19.000 -2.535 0.000 0.847 98 A HN 0.130 nan 8.150 nan 0.000 0.449 99 S N -0.149 114.927 115.700 -1.040 0.000 2.377 99 S HA -0.207 4.263 4.470 -0.001 0.000 0.224 99 S C 1.939 176.320 174.600 -0.365 0.000 1.042 99 S CA 1.937 59.737 58.200 -0.666 0.000 1.086 99 S CB -0.552 62.439 63.200 -0.349 0.000 0.995 99 S HN 0.316 nan 8.310 nan 0.000 0.428 100 V N 2.300 122.054 119.914 -0.266 0.000 2.380 100 V HA -0.194 3.926 4.120 -0.001 0.000 0.251 100 V C 2.250 178.278 176.094 -0.110 0.000 1.063 100 V CA 1.959 64.175 62.300 -0.139 0.000 1.055 100 V CB -0.772 30.993 31.823 -0.097 0.000 0.657 100 V HN 0.553 nan 8.190 nan 0.000 0.455 101 L N -0.681 120.445 121.223 -0.161 0.000 2.046 101 L HA -0.219 4.121 4.340 -0.001 0.000 0.208 101 L C 2.455 179.328 176.870 0.005 0.000 1.077 101 L CA 2.300 57.107 54.840 -0.056 0.000 0.747 101 L CB -0.791 41.278 42.059 0.018 0.000 0.896 101 L HN 0.435 nan 8.230 nan 0.000 0.432 102 H N -0.122 118.821 119.070 -0.211 0.000 2.274 102 H HA -0.264 4.292 4.556 -0.001 0.000 0.296 102 H C 2.119 177.474 175.328 0.044 0.000 1.061 102 H CA 2.096 58.104 56.048 -0.066 0.000 1.226 102 H CB -0.056 29.628 29.762 -0.130 0.000 1.370 102 H HN 0.471 nan 8.280 nan 0.000 0.507 103 N N 0.196 118.907 118.700 0.018 0.000 2.112 103 N HA -0.233 4.507 4.740 -0.001 0.000 0.200 103 N C 2.220 177.733 175.510 0.004 0.000 1.011 103 N CA 2.287 55.333 53.050 -0.007 0.000 0.891 103 N CB -0.411 38.090 38.487 0.023 0.000 1.060 103 N HN 0.321 nan 8.380 nan 0.000 0.478 104 L N -0.602 120.628 121.223 0.011 0.000 2.083 104 L HA -0.149 4.191 4.340 -0.001 0.000 0.209 104 L C 2.555 179.469 176.870 0.073 0.000 1.083 104 L CA 1.115 55.965 54.840 0.018 0.000 0.752 104 L CB -0.512 41.531 42.059 -0.028 0.000 0.899 104 L HN 0.248 nan 8.230 nan 0.000 0.433 105 R N 0.448 121.007 120.500 0.097 0.000 2.082 105 R HA -0.192 4.148 4.340 -0.001 0.000 0.234 105 R C 2.229 178.706 176.300 0.295 0.000 1.136 105 R CA 1.523 57.764 56.100 0.234 0.000 0.935 105 R CB -0.051 30.395 30.300 0.242 0.000 0.842 105 R HN 0.160 nan 8.270 nan 0.000 0.430 106 E N 0.428 120.693 120.200 0.109 0.000 1.995 106 E HA -0.206 4.144 4.350 -0.001 0.000 0.207 106 E C 1.931 178.623 176.600 0.154 0.000 1.016 106 E CA 1.998 58.457 56.400 0.098 0.000 0.865 106 E CB -0.362 29.319 29.700 -0.032 0.000 0.797 106 E HN 0.328 nan 8.360 nan 0.000 0.491 107 R N -0.459 120.107 120.500 0.110 0.000 2.153 107 R HA -0.261 4.079 4.340 -0.001 0.000 0.252 107 R C 2.472 178.868 176.300 0.161 0.000 1.158 107 R CA 1.790 57.963 56.100 0.122 0.000 0.975 107 R CB -0.911 29.449 30.300 0.100 0.000 0.871 107 R HN 0.277 nan 8.270 nan 0.000 0.450 108 Y N 1.262 121.567 120.300 0.007 0.000 2.070 108 Y HA -0.181 4.368 4.550 -0.000 0.000 0.279 108 Y C 1.875 177.745 175.900 -0.050 0.000 1.134 108 Y CA 1.061 59.110 58.100 -0.086 0.000 1.113 108 Y CB -0.747 37.566 38.460 -0.245 0.000 0.981 108 Y HN -0.130 nan 8.280 nan 0.000 0.487 109 F N 0.282 120.171 119.950 -0.102 0.000 2.664 109 F HA -0.108 4.419 4.527 -0.000 0.000 0.297 109 F C 2.026 177.781 175.800 -0.076 0.000 1.164 109 F CA 1.431 59.321 58.000 -0.183 0.000 1.472 109 F CB -0.434 38.541 39.000 -0.042 0.000 1.108 109 F HN 0.016 nan 8.300 nan 0.000 0.596 110 S N -1.341 114.442 115.700 0.139 0.000 2.578 110 S HA 0.406 4.876 4.470 -0.001 0.000 0.231 110 S C 1.715 176.407 174.600 0.154 0.000 0.994 110 S CA 0.358 58.636 58.200 0.129 0.000 0.956 110 S CB 0.514 63.783 63.200 0.115 0.000 0.870 110 S HN 0.492 nan 8.310 nan 0.000 0.494 111 G N 1.447 110.346 108.800 0.165 0.000 2.213 111 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.236 111 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.236 111 G C -0.139 174.938 174.900 0.296 0.000 0.991 111 G CA -0.278 45.033 45.100 0.353 0.000 0.629 111 G HN 0.438 nan 8.290 nan 0.000 0.517 112 L N 2.019 123.368 121.223 0.209 0.000 2.282 112 L HA 0.659 4.999 4.340 -0.001 0.000 0.288 112 L C 1.733 178.712 176.870 0.181 0.000 1.033 112 L CA -0.885 54.067 54.840 0.186 0.000 0.807 112 L CB 1.086 43.230 42.059 0.143 0.000 1.209 112 L HN 0.266 nan 8.230 nan 0.000 0.423 113 I N -1.021 119.667 120.570 0.197 0.000 3.393 113 I HA 0.127 4.296 4.170 -0.001 0.000 0.250 113 I C 0.098 176.268 176.117 0.088 0.000 1.122 113 I CA -0.007 61.367 61.300 0.124 0.000 1.484 113 I CB -0.163 37.858 38.000 0.036 0.000 1.468 113 I HN 0.256 nan 8.210 nan 0.000 0.461 114 Y N 4.824 125.116 120.300 -0.013 0.000 2.853 114 Y HA 0.098 4.648 4.550 -0.001 0.000 0.365 114 Y C 0.767 176.699 175.900 0.052 0.000 1.310 114 Y CA 0.332 58.430 58.100 -0.002 0.000 1.703 114 Y CB -0.899 37.537 38.460 -0.040 0.000 1.238 114 Y HN 0.235 nan 8.280 nan 0.000 0.510 115 T N 1.816 116.479 114.554 0.182 0.000 2.889 115 T HA 0.503 4.852 4.350 -0.001 0.000 0.278 115 T C -1.152 173.752 174.700 0.340 0.000 0.995 115 T CA -0.832 61.370 62.100 0.169 0.000 0.966 115 T CB 1.061 69.978 68.868 0.081 0.000 1.237 115 T HN 0.185 nan 8.240 nan 0.000 0.591 116 Y N 0.955 121.239 120.300 -0.026 0.000 2.425 116 Y HA 0.532 5.082 4.550 -0.000 0.000 0.344 116 Y C -0.187 175.617 175.900 -0.160 0.000 0.969 116 Y CA -1.754 56.303 58.100 -0.072 0.000 1.052 116 Y CB 1.948 40.390 38.460 -0.031 0.000 1.215 116 Y HN 0.672 nan 8.280 nan 0.000 0.451 117 S N 1.496 117.048 115.700 -0.247 0.000 2.746 117 S HA 0.628 5.097 4.470 -0.001 0.000 0.273 117 S C 0.457 174.519 174.600 -0.896 0.000 1.172 117 S CA -0.441 57.449 58.200 -0.517 0.000 1.116 117 S CB 1.033 63.854 63.200 -0.632 0.000 1.057 117 S HN 1.289 nan 8.310 nan 0.000 0.483 118 G N 3.053 111.612 108.800 -0.402 0.000 2.622 118 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.307 118 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.307 118 G C 0.608 175.410 174.900 -0.164 0.000 1.226 118 G CA 0.519 45.483 45.100 -0.225 0.000 0.997 118 G HN 0.736 nan 8.290 nan 0.000 0.551 119 L N 0.693 121.936 121.223 0.034 0.000 2.162 119 L HA 0.256 4.595 4.340 -0.001 0.000 0.205 119 L C 2.038 178.995 176.870 0.145 0.000 1.086 119 L CA 0.958 55.872 54.840 0.122 0.000 0.778 119 L CB -0.735 41.457 42.059 0.222 0.000 0.928 119 L HN 0.470 nan 8.230 nan 0.000 0.446 120 F N 0.000 119.996 119.950 0.075 0.000 2.291 120 F HA 0.480 5.007 4.527 -0.000 0.000 0.305 120 F C 0.163 175.945 175.800 -0.030 0.000 1.171 120 F CA -2.490 55.573 58.000 0.105 0.000 1.090 120 F CB -0.197 38.942 39.000 0.233 0.000 1.436 120 F HN -0.147 nan 8.300 nan 0.000 0.509 121 C N 1.059 120.394 119.300 0.059 0.000 2.608 121 C HA 0.809 5.269 4.460 -0.001 0.000 0.325 121 C C -0.526 174.473 174.990 0.014 0.000 1.147 121 C CA -0.648 58.325 59.018 -0.076 0.000 1.359 121 C CB 0.493 28.159 27.740 -0.124 0.000 1.912 121 C HN 0.840 nan 8.230 nan 0.000 0.466 122 V N 4.520 124.429 119.914 -0.009 0.000 3.003 122 V HA 0.512 4.632 4.120 -0.001 0.000 0.305 122 V C 0.347 176.385 176.094 -0.093 0.000 1.078 122 V CA -0.085 62.194 62.300 -0.034 0.000 1.083 122 V CB 1.628 33.428 31.823 -0.038 0.000 1.039 122 V HN 0.834 nan 8.190 nan 0.000 0.481 123 V N 4.312 124.116 119.914 -0.182 0.000 3.535 123 V HA 0.214 4.333 4.120 -0.001 0.000 0.439 123 V C -0.190 175.698 176.094 -0.344 0.000 1.462 123 V CA -0.456 61.644 62.300 -0.334 0.000 1.966 123 V CB 0.415 31.941 31.823 -0.496 0.000 1.026 123 V HN 0.715 nan 8.190 nan 0.000 0.579 124 I N 2.055 122.442 120.570 -0.305 0.000 3.115 124 I HA -0.113 4.057 4.170 -0.001 0.000 0.315 124 I C 1.021 176.897 176.117 -0.403 0.000 1.211 124 I CA 1.116 62.169 61.300 -0.411 0.000 1.453 124 I CB 0.089 37.722 38.000 -0.612 0.000 1.307 124 I HN 0.419 nan 8.210 nan 0.000 0.568 125 N N 7.850 126.288 118.700 -0.436 0.000 2.488 125 N HA 0.179 4.919 4.740 -0.001 0.000 0.274 125 N C -1.791 173.618 175.510 -0.169 0.000 1.111 125 N CA -1.924 50.898 53.050 -0.380 0.000 0.974 125 N CB 1.272 39.413 38.487 -0.575 0.000 1.089 125 N HN 0.271 nan 8.380 nan 0.000 0.465 126 P HA -0.009 nan 4.420 nan 0.000 0.217 126 P C -0.214 177.218 177.300 0.221 0.000 1.153 126 P CA 0.722 63.959 63.100 0.229 0.000 0.843 126 P CB 0.446 32.197 31.700 0.084 0.000 0.794 127 Y N -1.517 118.809 120.300 0.043 0.000 4.841 127 Y HA -0.212 4.338 4.550 -0.001 0.000 0.242 127 Y C 0.581 176.490 175.900 0.015 0.000 1.002 127 Y CA 0.547 58.660 58.100 0.021 0.000 2.011 127 Y CB -2.157 36.319 38.460 0.026 0.000 1.554 127 Y HN 0.097 nan 8.280 nan 0.000 0.618 128 K N 0.018 120.503 120.400 0.142 0.000 2.346 128 K HA 0.567 4.887 4.320 -0.001 0.000 0.238 128 K C -0.443 176.179 176.600 0.036 0.000 1.039 128 K CA -0.748 55.582 56.287 0.072 0.000 0.861 128 K CB 1.234 33.748 32.500 0.024 0.000 1.278 128 K HN -0.092 nan 8.250 nan 0.000 0.460 129 Q N 2.243 122.054 119.800 0.018 0.000 2.901 129 Q HA 0.316 4.655 4.340 -0.001 0.000 0.265 129 Q C -0.756 175.207 176.000 -0.061 0.000 1.263 129 Q CA -0.103 55.712 55.803 0.020 0.000 1.088 129 Q CB 0.227 28.995 28.738 0.049 0.000 1.339 129 Q HN 0.306 nan 8.270 nan 0.000 0.546 130 L N 2.411 123.520 121.223 -0.191 0.000 2.453 130 L HA 0.241 4.581 4.340 -0.001 0.000 0.272 130 L C -1.619 175.072 176.870 -0.297 0.000 1.182 130 L CA -1.661 52.861 54.840 -0.530 0.000 0.858 130 L CB 0.080 41.657 42.059 -0.804 0.000 1.120 130 L HN 0.270 nan 8.230 nan 0.000 0.474 131 P HA 0.115 nan 4.420 nan 0.000 0.219 131 P C 0.316 177.622 177.300 0.010 0.000 1.832 131 P CA 0.095 63.215 63.100 0.033 0.000 1.014 131 P CB -0.109 31.696 31.700 0.175 0.000 1.939 132 I N -2.660 117.781 120.570 -0.214 0.000 4.102 132 I HA 0.328 4.497 4.170 -0.001 0.000 0.325 132 I C -1.199 174.704 176.117 -0.355 0.000 1.471 132 I CA -0.579 60.541 61.300 -0.301 0.000 1.133 132 I CB -0.033 37.708 38.000 -0.431 0.000 1.184 132 I HN -0.206 nan 8.210 nan 0.000 0.451 133 Y N 2.169 122.577 120.300 0.180 0.000 2.329 133 Y HA 0.687 5.236 4.550 -0.001 0.000 0.328 133 Y C 0.272 176.348 175.900 0.294 0.000 0.992 133 Y CA -0.838 57.467 58.100 0.341 0.000 1.151 133 Y CB 1.571 40.198 38.460 0.278 0.000 1.150 133 Y HN 0.308 nan 8.280 nan 0.000 0.450 134 S N 0.400 116.368 115.700 0.446 0.000 2.627 134 S HA 0.272 4.741 4.470 -0.001 0.000 0.268 134 S C 0.193 174.888 174.600 0.159 0.000 1.130 134 S CA -0.891 57.462 58.200 0.254 0.000 0.819 134 S CB 1.436 64.751 63.200 0.192 0.000 1.100 134 S HN 0.461 nan 8.310 nan 0.000 0.465 135 E N 0.923 121.194 120.200 0.118 0.000 2.171 135 E HA -0.093 4.256 4.350 -0.001 0.000 0.197 135 E C 1.677 178.313 176.600 0.060 0.000 0.997 135 E CA 1.897 58.342 56.400 0.075 0.000 0.810 135 E CB -0.121 29.657 29.700 0.130 0.000 0.738 135 E HN 0.578 nan 8.360 nan 0.000 0.467 136 K N -0.143 120.310 120.400 0.087 0.000 1.973 136 K HA -0.115 4.205 4.320 -0.001 0.000 0.210 136 K C 1.883 178.539 176.600 0.093 0.000 1.045 136 K CA 1.577 57.912 56.287 0.080 0.000 0.937 136 K CB -0.142 32.408 32.500 0.083 0.000 0.721 136 K HN 0.110 nan 8.250 nan 0.000 0.438 137 I N 1.895 122.554 120.570 0.148 0.000 2.315 137 I HA -0.285 3.884 4.170 -0.001 0.000 0.251 137 I C 2.193 178.494 176.117 0.306 0.000 1.125 137 I CA 1.240 62.683 61.300 0.237 0.000 1.392 137 I CB -1.318 36.871 38.000 0.314 0.000 1.065 137 I HN 0.225 nan 8.210 nan 0.000 0.424 138 I N 1.443 122.061 120.570 0.081 0.000 2.226 138 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 138 I C 2.229 178.337 176.117 -0.014 0.000 1.100 138 I CA 1.624 62.845 61.300 -0.132 0.000 1.374 138 I CB -1.228 36.564 38.000 -0.346 0.000 1.057 138 I HN 0.197 nan 8.210 nan 0.000 0.413 139 D N 0.735 121.136 120.400 0.002 0.000 2.078 139 D HA -0.165 4.475 4.640 -0.001 0.000 0.193 139 D C 2.332 178.666 176.300 0.055 0.000 0.990 139 D CA 1.104 55.112 54.000 0.014 0.000 0.827 139 D CB -0.307 40.505 40.800 0.021 0.000 0.975 139 D HN 0.189 nan 8.370 nan 0.000 0.451 140 M N -0.766 118.860 119.600 0.044 0.000 2.255 140 M HA -0.235 4.245 4.480 -0.001 0.000 0.259 140 M C 1.206 177.439 176.300 -0.111 0.000 1.071 140 M CA 1.446 56.715 55.300 -0.052 0.000 1.074 140 M CB -0.139 32.383 32.600 -0.130 0.000 1.384 140 M HN 0.169 nan 8.290 nan 0.000 0.415 141 Y N -0.982 119.397 120.300 0.132 0.000 2.481 141 Y HA 0.161 4.710 4.550 -0.001 0.000 0.258 141 Y C 0.896 176.920 175.900 0.206 0.000 1.103 141 Y CA -0.111 58.097 58.100 0.181 0.000 1.287 141 Y CB 0.203 38.826 38.460 0.271 0.000 1.108 141 Y HN 0.007 nan 8.280 nan 0.000 0.529 142 K N 0.770 121.349 120.400 0.298 0.000 2.437 142 K HA 0.144 4.463 4.320 -0.001 0.000 0.277 142 K C 1.243 177.945 176.600 0.170 0.000 1.073 142 K CA 1.275 57.687 56.287 0.209 0.000 1.105 142 K CB -0.361 32.176 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 -0.307 3.652 3.960 -0.001 0.000 0.257 143 G HA3 -0.307 3.652 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 0.414 45.591 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 0.153 0.000 2.412 144 K HA 0.462 4.781 4.320 -0.001 0.000 0.284 144 K C 0.934 177.614 176.600 0.133 0.000 1.046 144 K CA 0.050 56.420 56.287 0.139 0.000 0.999 144 K CB 0.772 33.359 32.500 0.144 0.000 0.941 144 K HN 0.562 nan 8.250 nan 0.000 0.474 145 K N 2.342 122.786 120.400 0.072 0.000 2.213 145 K HA -0.084 4.235 4.320 -0.001 0.000 0.243 145 K C 0.887 177.491 176.600 0.007 0.000 1.085 145 K CA 0.539 56.816 56.287 -0.017 0.000 0.818 145 K CB 0.399 32.798 32.500 -0.169 0.000 1.106 145 K HN 0.400 nan 8.250 nan 0.000 0.520 146 R N -0.304 120.144 120.500 -0.087 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 0.086 0.000 1.140 146 R CA 2.169 58.295 56.100 0.044 0.000 0.940 146 R CB -1.012 29.317 30.300 0.048 0.000 0.839 146 R HN 0.753 nan 8.270 nan 0.000 0.429 147 H N 0.159 119.294 119.070 0.108 0.000 2.512 147 H HA 0.179 4.735 4.556 -0.001 0.000 0.279 147 H C 0.603 175.966 175.328 0.057 0.000 0.999 147 H CA 0.506 56.593 56.048 0.066 0.000 1.283 147 H CB -0.547 29.253 29.762 0.063 0.000 1.421 147 H HN 0.240 nan 8.280 nan 0.000 0.554 148 E N 0.609 121.144 120.200 0.559 0.000 2.482 148 E HA 0.068 4.417 4.350 -0.001 0.000 0.200 148 E C -0.122 176.582 176.600 0.174 0.000 1.147 148 E CA 0.202 56.810 56.400 0.346 0.000 0.912 148 E CB -0.030 29.823 29.700 0.254 0.000 0.938 148 E HN 0.395 nan 8.360 nan 0.000 0.519 149 M N -0.123 119.565 119.600 0.148 0.000 3.122 149 M HA 0.178 4.658 4.480 -0.001 0.000 0.267 149 M C -2.829 173.487 176.300 0.026 0.000 0.971 149 M CA -1.550 53.780 55.300 0.050 0.000 0.788 149 M CB 1.838 34.430 32.600 -0.015 0.000 1.611 149 M HN -0.246 nan 8.290 nan 0.000 0.560 150 P HA 0.425 nan 4.420 nan 0.000 0.279 150 P C -2.790 174.488 177.300 -0.037 0.000 1.252 150 P CA -1.268 61.749 63.100 -0.139 0.000 0.811 150 P CB -0.601 30.906 31.700 -0.321 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 0.028 0.000 1.195 151 P CA 1.127 64.155 63.100 -0.119 0.000 0.762 151 P CB 0.042 31.587 31.700 -0.259 0.000 0.799 152 H N 2.586 121.542 119.070 -0.190 0.000 3.068 152 H HA 0.128 4.684 4.556 -0.001 0.000 0.342 152 H C 0.450 175.426 175.328 -0.588 0.000 1.284 152 H CA -0.650 54.971 56.048 -0.710 0.000 1.181 152 H CB 1.739 30.979 29.762 -0.871 0.000 1.898 152 H HN 0.081 nan 8.280 nan 0.000 0.540 153 I N 3.064 122.840 120.570 -1.324 0.000 2.208 153 I HA -0.273 3.897 4.170 -0.001 0.000 0.245 153 I C 1.529 177.467 176.117 -0.299 0.000 1.097 153 I CA 1.481 62.511 61.300 -0.450 0.000 1.363 153 I CB -0.784 37.043 38.000 -0.288 0.000 1.051 153 I HN 0.544 nan 8.210 nan 0.000 0.413 154 Y N 0.638 120.782 120.300 -0.259 0.000 2.333 154 Y HA -0.071 4.479 4.550 -0.001 0.000 0.290 154 Y C 2.523 178.002 175.900 -0.701 0.000 1.144 154 Y CA 0.583 58.417 58.100 -0.443 0.000 1.228 154 Y CB -1.646 36.785 38.460 -0.048 0.000 0.985 154 Y HN 0.227 nan 8.280 nan 0.000 0.542 155 A N 0.274 122.860 122.820 -0.390 0.000 1.873 155 A HA -0.141 4.178 4.320 -0.001 0.000 0.215 155 A C 2.225 179.735 177.584 -0.125 0.000 1.186 155 A CA 1.761 53.657 52.037 -0.234 0.000 0.616 155 A CB -1.026 17.907 19.000 -0.110 0.000 0.823 155 A HN 0.360 nan 8.150 nan 0.000 0.442 156 I N 0.172 120.667 120.570 -0.125 0.000 2.315 156 I HA -0.216 3.954 4.170 -0.001 0.000 0.248 156 I C 2.866 178.912 176.117 -0.119 0.000 1.117 156 I CA 1.100 62.342 61.300 -0.096 0.000 1.404 156 I CB -0.355 37.598 38.000 -0.077 0.000 1.071 156 I HN 0.306 nan 8.210 nan 0.000 0.419 157 A N 0.271 122.960 122.820 -0.218 0.000 1.883 157 A HA -0.304 4.016 4.320 -0.001 0.000 0.217 157 A C 2.055 179.555 177.584 -0.141 0.000 1.186 157 A CA 2.493 54.388 52.037 -0.237 0.000 0.624 157 A CB -0.856 17.851 19.000 -0.488 0.000 0.822 157 A HN 0.419 nan 8.150 nan 0.000 0.444 158 D N -1.437 118.825 120.400 -0.230 0.000 2.149 158 D HA -0.064 4.576 4.640 -0.001 0.000 0.201 158 D C 2.049 178.416 176.300 0.112 0.000 0.972 158 D CA 1.663 55.720 54.000 0.095 0.000 0.835 158 D CB 0.001 40.903 40.800 0.170 0.000 0.966 158 D HN 0.407 nan 8.370 nan 0.000 0.476 159 T N -0.329 114.243 114.554 0.030 0.000 2.746 159 T HA -0.145 4.205 4.350 -0.001 0.000 0.267 159 T C 1.965 176.669 174.700 0.006 0.000 1.039 159 T CA 1.364 63.474 62.100 0.017 0.000 1.142 159 T CB -0.429 68.439 68.868 -0.002 0.000 0.866 159 T HN 0.196 nan 8.240 nan 0.000 0.444 160 A N 0.733 123.561 122.820 0.012 0.000 1.873 160 A HA -0.053 4.266 4.320 -0.001 0.000 0.215 160 A C 2.139 179.759 177.584 0.060 0.000 1.186 160 A CA 1.459 53.504 52.037 0.013 0.000 0.616 160 A CB -1.020 17.983 19.000 0.004 0.000 0.823 160 A HN 0.552 nan 8.150 nan 0.000 0.442 161 Y N 0.681 120.966 120.300 -0.025 0.000 2.145 161 Y HA -0.202 4.348 4.550 -0.001 0.000 0.286 161 Y C 2.414 178.265 175.900 -0.081 0.000 1.145 161 Y CA 2.264 60.338 58.100 -0.043 0.000 1.148 161 Y CB -0.457 37.978 38.460 -0.042 0.000 0.981 161 Y HN 0.293 nan 8.280 nan 0.000 0.507 162 R N -0.353 119.987 120.500 -0.266 0.000 2.148 162 R HA -0.053 4.287 4.340 -0.001 0.000 0.223 162 R C 2.473 178.642 176.300 -0.218 0.000 1.088 162 R CA 1.297 57.186 56.100 -0.351 0.000 0.985 162 R CB -0.541 29.655 30.300 -0.172 0.000 0.880 162 R HN 0.262 nan 8.270 nan 0.000 0.451 163 S N 0.359 115.983 115.700 -0.127 0.000 2.368 163 S HA -0.173 4.297 4.470 -0.001 0.000 0.225 163 S C 1.733 176.271 174.600 -0.104 0.000 1.030 163 S CA 1.556 59.700 58.200 -0.093 0.000 0.999 163 S CB -0.223 62.940 63.200 -0.062 0.000 0.844 163 S HN 0.497 nan 8.310 nan 0.000 0.459 164 M N 0.598 120.133 119.600 -0.108 0.000 2.086 164 M HA -0.098 4.381 4.480 -0.001 0.000 0.261 164 M C 1.796 178.028 176.300 -0.114 0.000 1.067 164 M CA 1.717 56.965 55.300 -0.085 0.000 1.116 164 M CB -0.395 32.197 32.600 -0.014 0.000 1.348 164 M HN 0.259 nan 8.290 nan 0.000 0.407 165 L N 0.559 121.653 121.223 -0.215 0.000 2.201 165 L HA -0.195 4.144 4.340 -0.001 0.000 0.212 165 L C 2.819 179.588 176.870 -0.168 0.000 1.105 165 L CA 1.043 55.741 54.840 -0.237 0.000 0.775 165 L CB -0.548 41.255 42.059 -0.427 0.000 0.913 165 L HN 0.418 nan 8.230 nan 0.000 0.440 166 Q N 0.151 119.859 119.800 -0.153 0.000 1.961 166 Q HA -0.133 4.207 4.340 -0.001 0.000 0.197 166 Q C 1.401 177.351 176.000 -0.083 0.000 0.977 166 Q CA 1.680 57.416 55.803 -0.112 0.000 0.830 166 Q CB -0.415 28.262 28.738 -0.101 0.000 0.896 166 Q HN 0.616 nan 8.270 nan 0.000 0.437 167 D N -0.255 120.100 120.400 -0.075 0.000 2.319 167 D HA 0.067 4.707 4.640 -0.001 0.000 0.230 167 D C -0.588 175.680 176.300 -0.053 0.000 1.094 167 D CA -0.239 53.725 54.000 -0.059 0.000 0.856 167 D CB -0.316 40.451 40.800 -0.055 0.000 0.915 167 D HN 0.018 nan 8.370 nan 0.000 0.517 168 R N 0.240 120.706 120.500 -0.056 0.000 2.672 168 R HA -0.214 4.126 4.340 -0.001 0.000 0.268 168 R C -0.647 175.632 176.300 -0.034 0.000 0.935 168 R CA 0.754 56.830 56.100 -0.039 0.000 0.776 168 R CB -1.642 28.641 30.300 -0.029 0.000 1.954 168 R HN 0.486 nan 8.270 nan 0.000 0.523 169 E N 1.567 121.741 120.200 -0.044 0.000 2.499 169 E HA 0.051 4.400 4.350 -0.001 0.000 0.327 169 E C -1.059 175.486 176.600 -0.092 0.000 0.929 169 E CA -0.571 55.797 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 2.969 123.294 120.400 -0.125 0.000 2.563 170 D HA -0.077 4.563 4.640 -0.001 0.000 0.229 170 D C 0.001 176.101 176.300 -0.333 0.000 1.159 170 D CA 1.027 54.831 54.000 -0.325 0.000 0.869 170 D CB 0.735 41.204 40.800 -0.552 0.000 1.203 170 D HN 0.385 nan 8.370 nan 0.000 0.478 171 Q N -0.004 119.557 119.800 -0.397 0.000 2.496 171 Q HA 0.601 4.940 4.340 -0.001 0.000 0.286 171 Q C -0.597 175.246 176.000 -0.262 0.000 1.103 171 Q CA -0.919 54.730 55.803 -0.257 0.000 0.813 171 Q CB 2.118 30.774 28.738 -0.137 0.000 1.444 171 Q HN 0.496 nan 8.270 nan 0.000 0.443 172 S N -0.344 115.249 115.700 -0.178 0.000 2.572 172 S HA 0.677 5.147 4.470 -0.001 0.000 0.274 172 S C -0.968 173.518 174.600 -0.191 0.000 1.150 172 S CA -0.729 57.376 58.200 -0.158 0.000 0.944 172 S CB 0.571 63.720 63.200 -0.085 0.000 1.071 172 S HN 0.484 nan 8.310 nan 0.000 0.479 173 I N 3.318 123.782 120.570 -0.177 0.000 2.382 173 I HA 0.429 4.598 4.170 -0.001 0.000 0.286 173 I C -1.141 174.877 176.117 -0.166 0.000 1.002 173 I CA -0.778 60.419 61.300 -0.171 0.000 1.135 173 I CB 1.429 39.360 38.000 -0.115 0.000 1.288 173 I HN 0.598 nan 8.210 nan 0.000 0.448 174 L N 5.734 126.840 121.223 -0.196 0.000 2.319 174 L HA 0.569 4.909 4.340 -0.001 0.000 0.281 174 L C -0.718 176.150 176.870 -0.003 0.000 1.005 174 L CA -0.569 54.209 54.840 -0.104 0.000 0.828 174 L CB 1.195 43.182 42.059 -0.121 0.000 1.227 174 L HN 0.518 nan 8.230 nan 0.000 0.415 175 C N 1.638 120.931 119.300 -0.011 0.000 2.373 175 C HA 0.538 4.998 4.460 -0.001 0.000 0.354 175 C C 1.570 176.563 174.990 0.005 0.000 1.249 175 C CA -0.451 58.563 59.018 -0.007 0.000 1.784 175 C CB -0.376 27.333 27.740 -0.053 0.000 2.408 175 C HN 0.960 nan 8.230 nan 0.000 0.542 176 T N 1.464 116.027 114.554 0.015 0.000 3.560 176 T HA 0.693 5.042 4.350 -0.001 0.000 0.350 176 T C 0.610 175.287 174.700 -0.039 0.000 1.264 176 T CA 0.684 62.778 62.100 -0.011 0.000 0.924 176 T CB -0.014 68.810 68.868 -0.074 0.000 1.997 176 T HN 2.288 nan 8.240 nan 0.000 0.553 177 G N 0.666 109.440 108.800 -0.043 0.000 2.733 177 G HA2 0.054 4.014 3.960 -0.001 0.000 0.686 177 G HA3 0.054 4.014 3.960 -0.001 0.000 0.686 177 G C -0.540 174.363 174.900 0.005 0.000 1.373 177 G CA -0.199 44.872 45.100 -0.048 0.000 0.838 177 G HN 1.205 nan 8.290 nan 0.000 0.588 178 E N -0.299 119.909 120.200 0.014 0.000 2.342 178 E HA 0.593 4.943 4.350 -0.001 0.000 0.257 178 E C 0.811 177.434 176.600 0.038 0.000 1.150 178 E CA -0.188 56.267 56.400 0.091 0.000 0.926 178 E CB 0.833 30.619 29.700 0.143 0.000 1.074 178 E HN 1.171 nan 8.360 nan 0.000 0.449 179 S N 0.440 116.176 115.700 0.059 0.000 2.546 179 S HA 0.323 4.793 4.470 -0.001 0.000 0.290 179 S C 0.985 175.581 174.600 -0.007 0.000 1.262 179 S CA 0.614 58.821 58.200 0.011 0.000 1.083 179 S CB -0.929 62.275 63.200 0.007 0.000 0.859 179 S HN 1.086 nan 8.310 nan 0.000 0.495 180 G N 3.431 112.210 108.800 -0.035 0.000 2.231 180 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.206 180 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.206 180 G C 0.897 175.717 174.900 -0.133 0.000 0.996 180 G CA 0.169 45.245 45.100 -0.040 0.000 0.645 180 G HN 1.433 nan 8.290 nan 0.000 0.498 181 A N -0.099 122.635 122.820 -0.144 0.000 2.119 181 A HA 0.535 4.855 4.320 -0.001 0.000 0.217 181 A C 2.569 180.005 177.584 -0.246 0.000 1.153 181 A CA 2.579 54.488 52.037 -0.214 0.000 0.692 181 A CB -0.353 18.545 19.000 -0.169 0.000 0.799 181 A HN 2.409 nan 8.150 nan 0.000 0.458 182 G N -1.537 107.144 108.800 -0.199 0.000 2.705 182 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.193 182 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.193 182 G C 0.906 175.714 174.900 -0.154 0.000 1.015 182 G CA 0.637 45.618 45.100 -0.198 0.000 0.743 182 G HN 0.312 nan 8.290 nan 0.000 0.476 183 K N 0.239 120.558 120.400 -0.135 0.000 2.324 183 K HA -0.316 4.003 4.320 -0.001 0.000 0.215 183 K C 2.471 179.007 176.600 -0.106 0.000 0.924 183 K CA 3.211 59.434 56.287 -0.107 0.000 0.953 183 K CB -0.924 31.523 32.500 -0.088 0.000 1.058 183 K HN 0.496 nan 8.250 nan 0.000 0.504 184 T N 0.728 115.217 114.554 -0.108 0.000 2.545 184 T HA -0.172 4.178 4.350 -0.001 0.000 0.261 184 T C 1.475 176.114 174.700 -0.101 0.000 1.097 184 T CA 1.680 63.719 62.100 -0.102 0.000 1.189 184 T CB -0.379 68.428 68.868 -0.102 0.000 0.863 184 T HN 0.323 nan 8.240 nan 0.000 0.405 185 E N 1.564 121.697 120.200 -0.112 0.000 2.136 185 E HA -0.242 4.107 4.350 -0.001 0.000 0.208 185 E C 2.040 178.552 176.600 -0.147 0.000 1.035 185 E CA 1.419 57.740 56.400 -0.133 0.000 0.838 185 E CB -0.773 28.841 29.700 -0.143 0.000 0.748 185 E HN 0.619 nan 8.360 nan 0.000 0.459 186 N N -0.010 118.613 118.700 -0.130 0.000 2.166 186 N HA -0.101 4.639 4.740 -0.001 0.000 0.186 186 N C 1.813 177.277 175.510 -0.076 0.000 1.019 186 N CA 1.439 54.429 53.050 -0.101 0.000 0.856 186 N CB -0.151 38.270 38.487 -0.110 0.000 0.993 186 N HN 0.148 nan 8.380 nan 0.000 0.426 187 T N 1.634 116.141 114.554 -0.079 0.000 2.777 187 T HA -0.034 4.316 4.350 -0.001 0.000 0.266 187 T C 1.820 176.490 174.700 -0.049 0.000 1.040 187 T CA 0.861 62.922 62.100 -0.065 0.000 1.141 187 T CB 0.043 68.868 68.868 -0.071 0.000 0.868 187 T HN 0.221 nan 8.240 nan 0.000 0.444 188 K N 1.136 121.500 120.400 -0.060 0.000 2.097 188 K HA -0.053 4.266 4.320 -0.001 0.000 0.206 188 K C 2.339 178.929 176.600 -0.017 0.000 1.049 188 K CA 0.872 57.129 56.287 -0.049 0.000 0.933 188 K CB -0.082 32.377 32.500 -0.070 0.000 0.717 188 K HN 0.282 nan 8.250 nan 0.000 0.442 189 K N 0.822 121.204 120.400 -0.029 0.000 2.057 189 K HA -0.072 4.248 4.320 -0.001 0.000 0.206 189 K C 2.238 178.974 176.600 0.227 0.000 1.050 189 K CA 0.890 57.233 56.287 0.093 0.000 0.935 189 K CB -0.447 32.004 32.500 -0.082 0.000 0.715 189 K HN -0.027 nan 8.250 nan 0.000 0.439 190 V N 2.307 122.279 119.914 0.096 0.000 2.407 190 V HA -0.206 3.914 4.120 -0.001 0.000 0.248 190 V C 2.325 178.478 176.094 0.099 0.000 1.055 190 V CA 1.452 63.799 62.300 0.078 0.000 1.049 190 V CB -0.407 31.416 31.823 -0.001 0.000 0.662 190 V HN 0.226 nan 8.190 nan 0.000 0.455 191 I N -0.133 120.469 120.570 0.054 0.000 2.333 191 I HA -0.231 3.939 4.170 -0.001 0.000 0.246 191 I C 2.614 178.745 176.117 0.024 0.000 1.106 191 I CA 1.623 62.938 61.300 0.026 0.000 1.411 191 I CB -0.675 37.315 38.000 -0.016 0.000 1.082 191 I HN 0.403 nan 8.210 nan 0.000 0.420 192 Q N 1.149 120.972 119.800 0.038 0.000 2.096 192 Q HA -0.288 4.052 4.340 -0.001 0.000 0.204 192 Q C 2.385 178.384 176.000 -0.002 0.000 0.982 192 Q CA 2.024 57.832 55.803 0.009 0.000 0.850 192 Q CB -0.393 28.381 28.738 0.059 0.000 0.901 192 Q HN 0.566 nan 8.270 nan 0.000 0.422 193 Y N 0.676 120.919 120.300 -0.095 0.000 2.163 193 Y HA -0.125 4.425 4.550 -0.001 0.000 0.288 193 Y C 1.881 177.686 175.900 -0.157 0.000 1.136 193 Y CA 1.455 59.439 58.100 -0.193 0.000 1.147 193 Y CB -0.217 38.163 38.460 -0.134 0.000 0.987 193 Y HN 0.112 nan 8.280 nan 0.000 0.509 194 L N -0.320 121.004 121.223 0.168 0.000 2.141 194 L HA -0.130 4.210 4.340 -0.001 0.000 0.209 194 L C 2.645 179.469 176.870 -0.076 0.000 1.094 194 L CA 0.988 55.841 54.840 0.022 0.000 0.763 194 L CB -0.671 41.440 42.059 0.087 0.000 0.908 194 L HN 0.348 nan 8.230 nan 0.000 0.437 195 A N -0.570 122.214 122.820 -0.060 0.000 2.019 195 A HA -0.160 4.159 4.320 -0.001 0.000 0.219 195 A C 2.144 179.694 177.584 -0.058 0.000 1.164 195 A CA 2.018 54.013 52.037 -0.071 0.000 0.644 195 A CB -0.522 18.391 19.000 -0.145 0.000 0.805 195 A HN 0.376 nan 8.150 nan 0.000 0.449 196 V N -4.649 115.174 119.914 -0.153 0.000 3.455 196 V HA 0.152 4.272 4.120 -0.001 0.000 0.250 196 V C 1.666 177.548 176.094 -0.353 0.000 1.230 196 V CA 0.990 63.123 62.300 -0.278 0.000 1.105 196 V CB 0.019 31.588 31.823 -0.423 0.000 0.850 196 V HN 0.057 nan 8.190 nan 0.000 0.461 197 V N 1.121 120.787 119.914 -0.414 0.000 3.573 197 V HA 0.457 4.577 4.120 -0.001 0.000 0.270 197 V C 1.931 177.866 176.094 -0.265 0.000 1.221 197 V CA 1.457 63.511 62.300 -0.411 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 -1.776 120.910 122.820 -0.224 0.000 2.674 198 A HA 0.395 4.714 4.320 -0.001 0.000 0.274 198 A C 0.836 178.445 177.584 0.043 0.000 1.065 198 A CA -0.020 51.953 52.037 -0.106 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 -0.211 115.455 115.700 -0.056 0.000 2.608 199 S HA 0.661 5.131 4.470 -0.001 0.000 0.261 199 S C 0.488 174.966 174.600 -0.204 0.000 1.314 199 S CA 0.168 58.325 58.200 -0.071 0.000 0.992 199 S CB 0.978 64.139 63.200 -0.064 0.000 0.935 199 S HN 0.476 nan 8.310 nan 0.000 0.564 214 S N -0.013 115.761 115.700 0.124 0.000 2.505 214 S HA 0.643 5.113 4.470 -0.001 0.000 0.276 214 S C -1.016 173.637 174.600 0.089 0.000 1.274 214 S CA 0.099 58.364 58.200 0.109 0.000 1.053 214 S CB -0.590 62.640 63.200 0.050 0.000 0.919 214 S HN 0.234 nan 8.310 nan 0.000 0.490 215 F N 2.237 122.095 119.950 -0.154 0.000 2.703 215 F HA 0.335 4.861 4.527 -0.000 0.000 0.308 215 F C -0.398 175.084 175.800 -0.529 0.000 1.126 215 F CA -0.770 56.993 58.000 -0.394 0.000 0.959 215 F CB 1.418 40.054 39.000 -0.607 0.000 1.297 215 F HN 0.323 nan 8.300 nan 0.000 0.441 216 S N 3.888 119.593 115.700 0.008 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 0.182 0.000 1.288 216 S CA -0.277 57.960 58.200 0.062 0.000 0.948 216 S CB -0.784 62.374 63.200 -0.069 0.000 1.397 216 S HN 0.395 nan 8.310 nan 0.000 0.493 217 Y N 0.992 121.429 120.300 0.228 0.000 2.262 217 Y HA 0.505 5.055 4.550 -0.001 0.000 0.368 217 Y C 1.644 177.567 175.900 0.038 0.000 1.352 217 Y CA -0.434 57.703 58.100 0.061 0.000 1.760 217 Y CB -0.481 37.961 38.460 -0.029 0.000 1.627 217 Y HN 0.469 nan 8.280 nan 0.000 0.606 218 G N -0.339 108.575 108.800 0.191 0.000 2.486 218 G HA2 0.095 4.054 3.960 -0.001 0.000 0.272 218 G HA3 0.095 4.054 3.960 -0.001 0.000 0.272 218 G C 0.486 175.439 174.900 0.089 0.000 1.426 218 G CA -0.353 44.803 45.100 0.094 0.000 1.058 218 G HN 0.634 nan 8.290 nan 0.000 0.531 219 E N -0.512 119.718 120.200 0.051 0.000 2.102 219 E HA -0.061 4.289 4.350 -0.001 0.000 0.190 219 E C 2.563 179.175 176.600 0.019 0.000 0.971 219 E CA 0.684 57.107 56.400 0.038 0.000 0.821 219 E CB -0.313 29.404 29.700 0.029 0.000 0.777 219 E HN 0.397 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 0.084 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 1.528 56.367 54.840 -0.002 0.000 0.779 220 L CB -0.463 41.600 42.059 0.007 0.000 0.922 220 L HN -0.206 nan 8.230 nan 0.000 0.443 221 E N 0.410 120.597 120.200 -0.022 0.000 2.204 221 E HA -0.128 4.222 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 0.912 57.266 56.400 -0.078 0.000 0.824 221 E CB -0.237 29.444 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 -0.089 0.000 2.097 222 K HA -0.135 4.184 4.320 -0.001 0.000 0.205 222 K C 1.998 178.536 176.600 -0.103 0.000 1.050 222 K CA 1.231 57.460 56.287 -0.097 0.000 0.938 222 K CB 0.078 32.581 32.500 0.006 0.000 0.718 222 K HN 0.180 nan 8.250 nan 0.000 0.442 223 Q N 0.118 119.873 119.800 -0.074 0.000 2.165 223 Q HA -0.044 4.296 4.340 -0.001 0.000 0.197 223 Q C 1.866 177.815 176.000 -0.084 0.000 0.952 223 Q CA 0.348 56.109 55.803 -0.071 0.000 0.848 223 Q CB -0.024 28.688 28.738 -0.043 0.000 0.931 223 Q HN 0.114 nan 8.270 nan 0.000 0.470 224 L N 0.589 121.765 121.223 -0.080 0.000 2.357 224 L HA -0.174 4.165 4.340 -0.001 0.000 0.220 224 L C 1.394 178.204 176.870 -0.100 0.000 1.123 224 L CA 1.449 56.243 54.840 -0.077 0.000 0.782 224 L CB -0.188 41.830 42.059 -0.069 0.000 0.910 224 L HN 0.171 nan 8.230 nan 0.000 0.442 225 L N -1.238 119.903 121.223 -0.137 0.000 2.307 225 L HA 0.076 4.416 4.340 -0.001 0.000 0.211 225 L C 1.974 178.777 176.870 -0.112 0.000 1.099 225 L CA 1.071 55.817 54.840 -0.156 0.000 0.816 225 L CB -0.740 41.171 42.059 -0.246 0.000 0.952 225 L HN 0.348 nan 8.230 nan 0.000 0.455 226 Q N -1.314 118.423 119.800 -0.105 0.000 2.222 226 Q HA 0.307 4.647 4.340 -0.001 0.000 0.206 226 Q C 1.630 177.569 176.000 -0.101 0.000 0.877 226 Q CA 0.452 56.194 55.803 -0.103 0.000 0.958 226 Q CB 0.286 28.953 28.738 -0.118 0.000 1.075 226 Q HN 0.361 nan 8.270 nan 0.000 0.483 227 A N 0.328 123.103 122.820 -0.074 0.000 1.843 227 A HA -0.090 4.229 4.320 -0.001 0.000 0.213 227 A C 1.780 179.352 177.584 -0.020 0.000 1.202 227 A CA 1.111 53.119 52.037 -0.049 0.000 0.607 227 A CB -0.233 18.747 19.000 -0.032 0.000 0.847 227 A HN 0.367 nan 8.150 nan 0.000 0.445 228 N N -0.282 118.414 118.700 -0.008 0.000 2.396 228 N HA -0.050 4.689 4.740 -0.001 0.000 0.180 228 N C -1.187 174.332 175.510 0.015 0.000 1.028 228 N CA 0.976 54.041 53.050 0.026 0.000 0.893 228 N CB -0.458 38.038 38.487 0.014 0.000 0.967 228 N HN 0.383 nan 8.380 nan 0.000 0.440 229 P HA 0.016 nan 4.420 nan 0.000 0.237 229 P C 1.265 178.528 177.300 -0.062 0.000 1.178 229 P CA 0.682 63.767 63.100 -0.025 0.000 0.766 229 P CB 0.165 31.843 31.700 -0.037 0.000 0.876 230 I N -0.654 119.867 120.570 -0.081 0.000 2.685 230 I HA -0.035 4.135 4.170 -0.001 0.000 0.251 230 I C 2.309 178.357 176.117 -0.116 0.000 1.102 230 I CA 0.440 61.643 61.300 -0.161 0.000 1.442 230 I CB -0.429 37.480 38.000 -0.151 0.000 1.194 230 I HN -0.234 nan 8.210 nan 0.000 0.448 231 L N 0.452 121.723 121.223 0.080 0.000 2.353 231 L HA -0.130 4.210 4.340 -0.001 0.000 0.220 231 L C 1.998 179.109 176.870 0.401 0.000 1.133 231 L CA 1.305 56.334 54.840 0.316 0.000 0.798 231 L CB -0.848 41.458 42.059 0.412 0.000 0.922 231 L HN 0.348 nan 8.230 nan 0.000 0.445 232 E N 0.665 120.976 120.200 0.184 0.000 2.170 232 E HA -0.055 4.294 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 0.750 57.220 56.400 0.117 0.000 0.830 232 E CB 0.054 29.783 29.700 0.049 0.000 0.775 232 E HN 0.489 nan 8.360 nan 0.000 0.470 233 A N 1.859 124.590 122.820 -0.148 0.000 1.952 233 A HA -0.164 4.156 4.320 -0.001 0.000 0.206 233 A C 0.747 178.213 177.584 -0.198 0.000 1.213 233 A CA 1.210 53.040 52.037 -0.344 0.000 0.690 233 A CB -1.082 17.516 19.000 -0.671 0.000 0.854 233 A HN 0.284 nan 8.150 nan 0.000 0.485 234 F N -1.230 118.791 119.950 0.118 0.000 2.515 234 F HA 0.607 5.134 4.527 -0.001 0.000 0.353 234 F C 1.078 177.091 175.800 0.355 0.000 1.213 234 F CA -0.315 57.827 58.000 0.235 0.000 1.194 234 F CB -0.289 38.848 39.000 0.228 0.000 1.488 234 F HN 0.414 nan 8.300 nan 0.000 0.619 235 G N 2.028 111.149 108.800 0.535 0.000 3.847 235 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.189 235 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.189 235 G C -0.467 174.611 174.900 0.296 0.000 0.907 235 G CA -0.601 44.648 45.100 0.249 0.000 0.893 235 G HN 0.432 nan 8.290 nan 0.000 0.379 236 N N 0.914 119.651 118.700 0.062 0.000 2.443 236 N HA 0.792 5.531 4.740 -0.001 0.000 0.295 236 N C -0.273 174.818 175.510 -0.698 0.000 1.076 236 N CA 0.637 53.531 53.050 -0.259 0.000 0.919 236 N CB 2.003 40.347 38.487 -0.237 0.000 1.176 236 N HN 0.715 nan 8.380 nan 0.000 0.487 237 A N 0.809 123.263 122.820 -0.610 0.000 2.604 237 A HA 0.418 4.738 4.320 -0.001 0.000 0.295 237 A C -1.097 176.454 177.584 -0.055 0.000 1.067 237 A CA -0.878 50.887 52.037 -0.454 0.000 0.683 237 A CB 0.926 19.722 19.000 -0.340 0.000 1.281 237 A HN 0.629 nan 8.150 nan 0.000 0.407 238 K N 1.208 121.746 120.400 0.230 0.000 2.412 238 K HA 0.369 4.689 4.320 -0.001 0.000 0.284 238 K C 0.327 176.958 176.600 0.051 0.000 1.046 238 K CA 0.946 57.306 56.287 0.122 0.000 0.999 238 K CB 0.216 32.751 32.500 0.058 0.000 0.941 238 K HN 0.940 nan 8.250 nan 0.000 0.474 239 T N -0.145 114.433 114.554 0.041 0.000 2.807 239 T HA 0.233 4.583 4.350 -0.001 0.000 0.277 239 T C 0.675 175.390 174.700 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 0.085 0.000 1.274 239 T HN 0.462 nan 8.240 nan 0.000 0.569 240 V N -0.098 119.819 119.914 0.006 0.000 3.478 240 V HA 0.444 4.563 4.120 -0.001 0.000 0.323 240 V C 0.399 176.439 176.094 -0.090 0.000 1.241 240 V CA 0.421 62.694 62.300 -0.045 0.000 1.274 240 V CB -2.088 29.701 31.823 -0.056 0.000 1.115 240 V HN 0.930 nan 8.190 nan 0.000 0.424 241 K N -0.075 120.287 120.400 -0.065 0.000 2.744 241 K HA 0.341 4.661 4.320 -0.001 0.000 0.165 241 K C -0.244 176.360 176.600 0.007 0.000 1.171 241 K CA -0.198 56.065 56.287 -0.040 0.000 1.150 241 K CB 0.017 32.450 32.500 -0.111 0.000 0.862 241 K HN 0.282 nan 8.250 nan 0.000 0.460 242 N N 1.441 120.151 118.700 0.017 0.000 4.190 242 N HA -0.022 4.717 4.740 -0.001 0.000 0.184 242 N C -0.818 174.717 175.510 0.041 0.000 1.230 242 N CA -0.065 53.005 53.050 0.034 0.000 0.927 242 N CB 1.454 39.946 38.487 0.008 0.000 1.653 242 N HN 0.062 nan 8.380 nan 0.000 0.832 243 D N 1.043 121.475 120.400 0.053 0.000 2.182 243 D HA -0.143 4.497 4.640 -0.001 0.000 0.201 243 D C 0.206 176.582 176.300 0.126 0.000 0.986 243 D CA 1.359 55.392 54.000 0.054 0.000 0.847 243 D CB 0.364 41.186 40.800 0.037 0.000 0.942 243 D HN 0.527 nan 8.370 nan 0.000 0.467 244 N N -0.242 118.528 118.700 0.117 0.000 2.707 244 N HA 0.024 4.763 4.740 -0.001 0.000 0.249 244 N C -1.683 173.824 175.510 -0.005 0.000 1.299 244 N CA -0.248 52.887 53.050 0.141 0.000 0.769 244 N CB 1.177 39.783 38.487 0.200 0.000 1.236 244 N HN -0.290 nan 8.380 nan 0.000 0.524 245 S N 1.427 117.093 115.700 -0.056 0.000 2.499 245 S HA 0.317 4.787 4.470 -0.001 0.000 0.279 245 S C -0.080 174.418 174.600 -0.170 0.000 1.219 245 S CA -0.465 57.679 58.200 -0.093 0.000 1.062 245 S CB 0.494 63.657 63.200 -0.061 0.000 0.978 245 S HN 0.458 nan 8.310 nan 0.000 0.489 246 S N 3.901 119.482 115.700 -0.198 0.000 2.465 246 S HA 0.140 4.610 4.470 -0.001 0.000 0.307 246 S C 0.615 175.023 174.600 -0.320 0.000 1.187 246 S CA -0.219 57.770 58.200 -0.352 0.000 1.141 246 S CB -0.147 62.821 63.200 -0.387 0.000 1.108 246 S HN 0.578 nan 8.310 nan 0.000 0.525 247 R N 3.185 123.559 120.500 -0.211 0.000 3.192 247 R HA 0.318 4.658 4.340 -0.001 0.000 0.264 247 R C -0.662 175.788 176.300 0.251 0.000 1.464 247 R CA -0.174 55.908 56.100 -0.030 0.000 1.309 247 R CB -0.957 29.241 30.300 -0.170 0.000 1.283 247 R HN 0.607 nan 8.270 nan 0.000 0.584 248 F N -5.616 114.324 119.950 -0.017 0.000 2.878 248 F HA 0.507 5.034 4.527 -0.001 0.000 0.322 248 F C -0.101 175.771 175.800 0.119 0.000 1.154 248 F CA -1.712 56.319 58.000 0.051 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 0.708 109.728 108.800 0.368 0.000 2.476 249 G HA2 0.542 4.502 3.960 -0.001 0.000 0.269 249 G HA3 0.542 4.502 3.960 -0.001 0.000 0.269 249 G C -1.643 173.586 174.900 0.549 0.000 1.195 249 G CA -0.748 44.562 45.100 0.351 0.000 0.843 249 G HN 0.914 nan 8.290 nan 0.000 0.545 250 K N 0.390 121.028 120.400 0.396 0.000 2.535 250 K HA 0.499 4.818 4.320 -0.001 0.000 0.251 250 K C -2.221 174.617 176.600 0.398 0.000 0.942 250 K CA -0.829 55.699 56.287 0.401 0.000 0.798 250 K CB 1.740 34.358 32.500 0.197 0.000 1.267 250 K HN 0.330 nan 8.250 nan 0.000 0.434 251 F N 6.257 126.374 119.950 0.278 0.000 2.810 251 F HA 0.426 4.952 4.527 -0.000 0.000 0.373 251 F C -1.397 174.477 175.800 0.123 0.000 1.174 251 F CA -0.733 57.387 58.000 0.199 0.000 1.141 251 F CB 0.530 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 4.963 125.447 120.570 -0.142 0.000 2.441 252 I HA 0.338 4.508 4.170 -0.001 0.000 0.287 252 I C 0.038 176.025 176.117 -0.216 0.000 1.049 252 I CA -0.020 61.218 61.300 -0.102 0.000 1.381 252 I CB 1.068 39.016 38.000 -0.087 0.000 1.409 252 I HN 0.511 nan 8.210 nan 0.000 0.523 253 R N 6.864 127.337 120.500 -0.046 0.000 2.388 253 R HA 0.646 4.986 4.340 -0.001 0.000 0.314 253 R C -1.507 174.785 176.300 -0.013 0.000 0.959 253 R CA -0.579 55.540 56.100 0.032 0.000 0.851 253 R CB 0.779 31.166 30.300 0.144 0.000 1.168 253 R HN 0.578 nan 8.270 nan 0.000 0.472 254 I N 3.583 124.104 120.570 -0.081 0.000 2.353 254 I HA 0.233 4.403 4.170 -0.001 0.000 0.293 254 I C -0.179 175.705 176.117 -0.390 0.000 0.992 254 I CA -0.524 60.631 61.300 -0.241 0.000 1.268 254 I CB 1.605 39.404 38.000 -0.336 0.000 1.387 254 I HN 0.519 nan 8.210 nan 0.000 0.478 255 N N 6.687 125.216 118.700 -0.286 0.000 2.469 255 N HA 0.355 5.095 4.740 -0.001 0.000 0.253 255 N C -0.996 174.427 175.510 -0.146 0.000 0.970 255 N CA -0.359 52.577 53.050 -0.191 0.000 0.940 255 N CB 1.135 39.599 38.487 -0.039 0.000 1.128 255 N HN 0.215 nan 8.380 nan 0.000 0.503 256 F N 0.884 120.919 119.950 0.141 0.000 2.378 256 F HA 0.241 4.768 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 -1.007 57.070 58.000 0.128 0.000 1.079 256 F CB 0.632 39.721 39.000 0.150 0.000 1.240 256 F HN 0.388 nan 8.300 nan 0.000 0.519 257 D N -0.403 120.170 120.400 0.288 0.000 2.539 257 D HA 0.177 4.817 4.640 -0.001 0.000 0.280 257 D C 0.878 177.229 176.300 0.084 0.000 1.208 257 D CA -0.429 53.665 54.000 0.156 0.000 1.088 257 D CB 0.007 40.892 40.800 0.143 0.000 1.149 257 D HN 0.242 nan 8.370 nan 0.000 0.596 258 V N -2.012 117.923 119.914 0.035 0.000 3.444 258 V HA 0.020 4.140 4.120 -0.001 0.000 0.271 258 V C 1.074 177.115 176.094 -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 0.638 nan 8.190 nan 0.000 0.500 259 T N -0.214 114.241 114.554 -0.165 0.000 3.331 259 T HA 0.491 4.841 4.350 -0.001 0.000 0.282 259 T C 1.365 175.650 174.700 -0.691 0.000 1.010 259 T CA 0.175 62.024 62.100 -0.417 0.000 0.928 259 T CB 0.370 68.950 68.868 -0.480 0.000 1.154 259 T HN 0.736 nan 8.240 nan 0.000 0.516 260 G N 1.575 110.185 108.800 -0.318 0.000 2.337 260 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.290 260 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.290 260 G C -0.276 174.567 174.900 -0.095 0.000 1.003 260 G CA 0.311 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 -0.979 119.412 120.300 0.152 0.000 2.420 261 Y HA 0.630 5.180 4.550 -0.001 0.000 0.334 261 Y C 1.124 177.215 175.900 0.317 0.000 1.094 261 Y CA -2.390 55.809 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 2.051 122.909 120.570 0.479 0.000 2.634 262 I HA 0.057 4.227 4.170 -0.001 0.000 0.284 262 I C 0.758 177.005 176.117 0.217 0.000 1.124 262 I CA 0.439 61.959 61.300 0.367 0.000 1.417 262 I CB 1.076 39.218 38.000 0.238 0.000 1.396 262 I HN 0.602 nan 8.210 nan 0.000 0.571 263 V N 4.447 124.445 119.914 0.140 0.000 3.221 263 V HA 0.479 4.599 4.120 -0.001 0.000 0.254 263 V C 0.208 176.328 176.094 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 4.800 3.960 -0.001 0.000 0.293 264 G HA3 0.841 4.800 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 0.610 123.408 122.820 -0.037 0.000 2.517 265 A HA 0.822 5.142 4.320 -0.001 0.000 0.297 265 A C -1.287 176.278 177.584 -0.033 0.000 1.050 265 A CA -0.730 51.281 52.037 -0.044 0.000 0.694 265 A CB 2.064 21.039 19.000 -0.042 0.000 1.277 265 A HN 0.656 nan 8.150 nan 0.000 0.400 266 N N -0.086 118.601 118.700 -0.021 0.000 2.242 266 N HA 0.780 5.520 4.740 -0.001 0.000 0.292 266 N C -1.437 174.098 175.510 0.042 0.000 1.125 266 N CA -0.331 52.715 53.050 -0.006 0.000 0.783 266 N CB 1.754 40.229 38.487 -0.020 0.000 1.558 266 N HN 0.574 nan 8.380 nan 0.000 0.472 267 I N 0.570 121.164 120.570 0.038 0.000 2.498 267 I HA 0.359 4.528 4.170 -0.001 0.000 0.290 267 I C -0.524 175.625 176.117 0.052 0.000 1.032 267 I CA -0.824 60.528 61.300 0.088 0.000 1.073 267 I CB 2.102 40.141 38.000 0.066 0.000 1.251 267 I HN 0.444 nan 8.210 nan 0.000 0.426 268 E N 4.618 124.889 120.200 0.119 0.000 2.121 268 E HA 0.214 4.564 4.350 -0.001 0.000 0.255 268 E C -0.476 175.945 176.600 -0.299 0.000 0.906 268 E CA -0.433 55.902 56.400 -0.109 0.000 0.745 268 E CB 1.136 30.795 29.700 -0.069 0.000 1.155 268 E HN 0.554 nan 8.360 nan 0.000 0.424 269 T N 4.034 118.439 114.554 -0.248 0.000 2.901 269 T HA 0.265 4.615 4.350 -0.001 0.000 0.301 269 T C -1.034 173.487 174.700 -0.298 0.000 1.012 269 T CA 0.172 62.252 62.100 -0.034 0.000 1.135 269 T CB 0.066 68.959 68.868 0.041 0.000 0.936 269 T HN 0.394 nan 8.240 nan 0.000 0.539 270 Y N 3.839 124.329 120.300 0.317 0.000 2.477 270 Y HA 0.465 5.015 4.550 -0.001 0.000 0.347 270 Y C 0.295 176.309 175.900 0.190 0.000 0.981 270 Y CA -1.822 56.409 58.100 0.218 0.000 1.033 270 Y CB 1.405 39.989 38.460 0.208 0.000 1.245 270 Y HN 0.672 nan 8.280 nan 0.000 0.455 271 L N 2.018 123.360 121.223 0.199 0.000 3.844 271 L HA -0.237 4.103 4.340 -0.001 0.000 0.580 271 L C -0.617 176.327 176.870 0.122 0.000 1.156 271 L CA 0.108 54.974 54.840 0.045 0.000 0.848 271 L CB -1.117 40.886 42.059 -0.094 0.000 1.283 271 L HN 0.530 nan 8.230 nan 0.000 0.803 272 L N 2.453 123.729 121.223 0.088 0.000 2.454 272 L HA 0.155 4.495 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 0.610 55.466 54.840 0.027 0.000 0.911 272 L CB 0.498 42.437 42.059 -0.201 0.000 1.262 272 L HN 0.333 nan 8.230 nan 0.000 0.453 273 E N 3.339 123.647 120.200 0.179 0.000 2.443 273 E HA -0.094 4.256 4.350 -0.001 0.000 0.310 273 E C 0.515 177.335 176.600 0.367 0.000 1.202 273 E CA -0.140 56.362 56.400 0.170 0.000 1.301 273 E CB 0.295 30.044 29.700 0.082 0.000 1.104 273 E HN 0.688 nan 8.360 nan 0.000 0.487 274 K N -0.607 119.974 120.400 0.303 0.000 2.288 274 K HA -0.045 4.275 4.320 -0.001 0.000 0.201 274 K C 1.544 178.215 176.600 0.118 0.000 1.048 274 K CA 0.690 57.111 56.287 0.224 0.000 0.956 274 K CB -0.107 32.501 32.500 0.179 0.000 0.746 274 K HN 0.028 nan 8.250 nan 0.000 0.461 275 S N 1.523 117.281 115.700 0.098 0.000 2.512 275 S HA -0.226 4.244 4.470 -0.001 0.000 0.253 275 S C 1.669 176.300 174.600 0.051 0.000 0.984 275 S CA 1.668 59.897 58.200 0.048 0.000 0.962 275 S CB -0.496 62.727 63.200 0.038 0.000 0.747 275 S HN 0.635 nan 8.310 nan 0.000 0.525 276 R N 0.500 121.067 120.500 0.111 0.000 2.334 276 R HA 0.466 4.805 4.340 -0.001 0.000 0.212 276 R C 1.946 178.306 176.300 0.100 0.000 0.897 276 R CA 0.630 56.796 56.100 0.111 0.000 1.056 276 R CB -0.278 30.096 30.300 0.125 0.000 1.046 276 R HN 0.224 nan 8.270 nan 0.000 0.513 277 A N 2.003 124.840 122.820 0.028 0.000 2.015 277 A HA -0.050 4.269 4.320 -0.001 0.000 0.219 277 A C 2.088 179.403 177.584 -0.449 0.000 1.163 277 A CA 1.350 53.249 52.037 -0.229 0.000 0.646 277 A CB -0.476 18.232 19.000 -0.487 0.000 0.806 277 A HN 0.554 nan 8.150 nan 0.000 0.448 278 I N -4.220 116.197 120.570 -0.255 0.000 2.339 278 I HA 0.201 4.371 4.170 -0.001 0.000 0.245 278 I C 0.741 176.912 176.117 0.091 0.000 1.096 278 I CA 0.559 61.788 61.300 -0.119 0.000 1.408 278 I CB 0.077 38.102 38.000 0.042 0.000 1.092 278 I HN 0.001 nan 8.210 nan 0.000 0.423 279 R N 1.368 121.903 120.500 0.058 0.000 2.695 279 R HA 0.328 4.668 4.340 -0.001 0.000 0.288 279 R C -1.390 174.953 176.300 0.072 0.000 1.344 279 R CA -0.440 55.713 56.100 0.088 0.000 1.005 279 R CB 1.524 31.879 30.300 0.092 0.000 1.233 279 R HN 0.240 nan 8.270 nan 0.000 0.442 280 Q N 1.501 121.351 119.800 0.084 0.000 2.293 280 Q HA 0.534 4.874 4.340 -0.001 0.000 0.251 280 Q C 0.385 176.437 176.000 0.088 0.000 0.930 280 Q CA -0.349 55.509 55.803 0.091 0.000 0.893 280 Q CB 1.064 29.876 28.738 0.124 0.000 1.215 280 Q HN 0.617 nan 8.270 nan 0.000 0.425 281 A N 2.385 125.254 122.820 0.080 0.000 2.339 281 A HA 0.043 4.363 4.320 -0.001 0.000 0.272 281 A C 0.141 177.779 177.584 0.090 0.000 1.182 281 A CA -0.243 51.845 52.037 0.084 0.000 0.819 281 A CB 0.086 19.146 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 0.088 0.000 2.412 282 K HA 0.065 4.385 4.320 -0.001 0.000 0.284 282 K C -0.908 175.734 176.600 0.070 0.000 1.046 282 K CA 0.686 57.018 56.287 0.075 0.000 0.999 282 K CB -0.162 32.378 32.500 0.067 0.000 0.941 282 K HN 0.603 nan 8.250 nan 0.000 0.474 283 D N 2.591 123.025 120.400 0.058 0.000 2.746 283 D HA -0.155 4.485 4.640 -0.001 0.000 0.236 283 D C -0.921 175.403 176.300 0.041 0.000 1.129 283 D CA 1.187 55.211 54.000 0.040 0.000 0.691 283 D CB -0.769 40.047 40.800 0.026 0.000 1.077 283 D HN 0.699 nan 8.370 nan 0.000 0.432 284 E N -0.901 119.335 120.200 0.059 0.000 2.456 284 E HA 0.699 5.048 4.350 -0.001 0.000 0.276 284 E C 0.117 176.771 176.600 0.090 0.000 0.981 284 E CA -1.014 55.425 56.400 0.065 0.000 0.814 284 E CB 2.188 31.943 29.700 0.091 0.000 1.382 284 E HN 0.012 nan 8.360 nan 0.000 0.459 285 R N -0.377 120.185 120.500 0.103 0.000 2.888 285 R HA 0.570 4.909 4.340 -0.001 0.000 0.264 285 R C -0.310 176.161 176.300 0.285 0.000 1.045 285 R CA -0.843 55.390 56.100 0.221 0.000 0.962 285 R CB 1.085 31.383 30.300 -0.003 0.000 1.210 285 R HN 0.525 nan 8.270 nan 0.000 0.479 286 T N -0.777 114.084 114.554 0.513 0.000 2.865 286 T HA 0.314 4.664 4.350 -0.001 0.000 0.302 286 T C 0.194 175.230 174.700 0.560 0.000 1.078 286 T CA -0.589 61.829 62.100 0.530 0.000 0.942 286 T CB 0.076 69.298 68.868 0.589 0.000 1.387 286 T HN 0.249 nan 8.240 nan 0.000 0.557 287 F N 1.709 121.825 119.950 0.278 0.000 2.504 287 F HA 0.154 4.681 4.527 -0.001 0.000 0.365 287 F C 1.981 177.820 175.800 0.064 0.000 1.140 287 F CA -0.269 57.738 58.000 0.013 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 1.349 120.476 119.070 0.094 0.000 2.329 288 H HA -0.357 4.199 4.556 -0.000 0.000 0.272 288 H C 2.296 177.508 175.328 -0.193 0.000 1.156 288 H CA 1.777 57.794 56.048 -0.051 0.000 1.146 288 H CB -0.201 29.342 29.762 -0.365 0.000 1.396 288 H HN 0.581 nan 8.280 nan 0.000 0.480 289 I N 1.054 121.479 120.570 -0.242 0.000 2.290 289 I HA -0.307 3.862 4.170 -0.001 0.000 0.253 289 I C 1.756 177.949 176.117 0.126 0.000 1.112 289 I CA 1.333 62.559 61.300 -0.123 0.000 1.377 289 I CB -0.549 37.527 38.000 0.126 0.000 1.060 289 I HN 0.109 nan 8.210 nan 0.000 0.428 290 F N 0.107 120.195 119.950 0.229 0.000 2.069 290 F HA -0.241 4.285 4.527 -0.001 0.000 0.298 290 F C 2.344 178.147 175.800 0.004 0.000 1.113 290 F CA 2.094 60.109 58.000 0.025 0.000 1.214 290 F CB -1.631 37.269 39.000 -0.166 0.000 0.978 290 F HN 0.133 nan 8.300 nan 0.000 0.474 291 Y N -2.197 118.351 120.300 0.414 0.000 2.242 291 Y HA -0.204 4.346 4.550 -0.001 0.000 0.291 291 Y C 2.365 178.567 175.900 0.503 0.000 1.137 291 Y CA 0.748 59.166 58.100 0.530 0.000 1.181 291 Y CB -1.421 37.420 38.460 0.634 0.000 0.989 291 Y HN -0.008 nan 8.280 nan 0.000 0.527 292 Y N -0.667 119.866 120.300 0.387 0.000 2.256 292 Y HA -0.208 4.342 4.550 -0.000 0.000 0.288 292 Y C 2.298 178.126 175.900 -0.121 0.000 1.155 292 Y CA 0.465 58.742 58.100 0.296 0.000 1.203 292 Y CB -0.929 37.819 38.460 0.481 0.000 0.980 292 Y HN 0.187 nan 8.280 nan 0.000 0.530 293 L N -0.031 121.199 121.223 0.011 0.000 2.084 293 L HA -0.025 4.315 4.340 -0.001 0.000 0.202 293 L C 2.090 178.744 176.870 -0.359 0.000 1.074 293 L CA 1.359 55.921 54.840 -0.464 0.000 0.757 293 L CB -0.959 41.074 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 -0.211 0.000 2.502 294 I HA -0.297 3.873 4.170 -0.001 0.000 0.258 294 I C 2.114 178.169 176.117 -0.102 0.000 1.172 294 I CA 1.300 62.406 61.300 -0.323 0.000 1.430 294 I CB -0.673 36.799 38.000 -0.881 0.000 1.086 294 I HN 0.415 nan 8.210 nan 0.000 0.440 295 A N -0.040 122.803 122.820 0.039 0.000 2.127 295 A HA 0.326 4.645 4.320 -0.001 0.000 0.204 295 A C 2.216 179.768 177.584 -0.054 0.000 1.243 295 A CA 0.651 52.754 52.037 0.111 0.000 0.887 295 A CB -0.422 18.743 19.000 0.275 0.000 0.933 295 A HN 0.352 nan 8.150 nan 0.000 0.479 296 G N -0.051 108.576 108.800 -0.289 0.000 2.777 296 G HA2 0.391 4.351 3.960 -0.001 0.000 0.211 296 G HA3 0.391 4.351 3.960 -0.001 0.000 0.211 296 G C 0.808 175.445 174.900 -0.438 0.000 1.149 296 G CA 0.759 45.641 45.100 -0.363 0.000 0.785 296 G HN 0.733 nan 8.290 nan 0.000 0.536 297 A N 0.501 122.998 122.820 -0.539 0.000 2.346 297 A HA 0.586 4.905 4.320 -0.001 0.000 0.252 297 A C 0.844 178.406 177.584 -0.037 0.000 1.089 297 A CA 0.408 52.314 52.037 -0.219 0.000 0.797 297 A CB 0.340 19.228 19.000 -0.187 0.000 1.047 297 A HN 0.781 nan 8.150 nan 0.000 0.494 298 S N -0.802 114.916 115.700 0.031 0.000 2.593 298 S HA 0.335 4.804 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 1.421 64.660 63.200 0.065 0.000 1.054 298 S HN 0.886 nan 8.310 nan 0.000 0.516 299 E N 0.782 120.995 120.200 0.022 0.000 2.114 299 E HA -0.322 4.028 4.350 -0.001 0.000 0.199 299 E C 1.674 178.284 176.600 0.016 0.000 1.008 299 E CA 1.594 58.004 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 0.403 120.216 119.800 0.022 0.000 1.946 300 Q HA -0.190 4.149 4.340 -0.001 0.000 0.199 300 Q C 2.610 178.622 176.000 0.021 0.000 0.979 300 Q CA 1.828 57.643 55.803 0.020 0.000 0.834 300 Q CB -0.277 28.476 28.738 0.024 0.000 0.899 300 Q HN 0.541 nan 8.270 nan 0.000 0.431 301 M N 0.517 120.137 119.600 0.033 0.000 2.108 301 M HA -0.256 4.223 4.480 -0.001 0.000 0.257 301 M C 2.151 178.467 176.300 0.026 0.000 1.071 301 M CA 2.486 57.810 55.300 0.040 0.000 1.093 301 M CB -0.688 31.955 32.600 0.073 0.000 1.345 301 M HN 0.112 nan 8.290 nan 0.000 0.403 302 R N 1.403 121.913 120.500 0.016 0.000 2.105 302 R HA -0.205 4.135 4.340 -0.001 0.000 0.239 302 R C 1.924 178.228 176.300 0.006 0.000 1.135 302 R CA 2.119 58.221 56.100 0.004 0.000 0.967 302 R CB -1.221 29.076 30.300 -0.005 0.000 0.861 302 R HN 0.788 nan 8.270 nan 0.000 0.442 303 N N 0.277 118.980 118.700 0.004 0.000 2.463 303 N HA -0.128 4.612 4.740 -0.001 0.000 0.181 303 N C 0.053 175.552 175.510 -0.017 0.000 1.078 303 N CA 1.188 54.235 53.050 -0.005 0.000 0.902 303 N CB 0.019 38.504 38.487 -0.004 0.000 0.970 303 N HN 0.284 nan 8.380 nan 0.000 0.451 304 D N -0.217 120.178 120.400 -0.008 0.000 2.339 304 D HA 0.200 4.840 4.640 -0.001 0.000 0.217 304 D C 0.725 177.014 176.300 -0.018 0.000 1.050 304 D CA 0.343 54.332 54.000 -0.018 0.000 0.856 304 D CB 0.313 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 -1.023 120.198 121.223 -0.003 0.000 3.386 305 L HA 0.311 4.651 4.340 -0.001 0.000 0.307 305 L C -0.236 176.648 176.870 0.023 0.000 1.235 305 L CA -0.306 54.542 54.840 0.013 0.000 1.056 305 L CB 0.287 42.369 42.059 0.038 0.000 1.453 305 L HN -0.165 nan 8.230 nan 0.000 0.615 306 L N 1.788 123.016 121.223 0.009 0.000 3.571 306 L HA -0.186 4.154 4.340 -0.001 0.000 0.630 306 L C -0.909 176.003 176.870 0.070 0.000 1.265 306 L CA 0.299 55.150 54.840 0.019 0.000 0.998 306 L CB -1.894 40.167 42.059 0.002 0.000 1.574 306 L HN 0.279 nan 8.230 nan 0.000 0.867 307 L N -1.339 119.932 121.223 0.080 0.000 2.325 307 L HA 0.764 5.103 4.340 -0.001 0.000 0.281 307 L C 0.450 177.400 176.870 0.134 0.000 1.004 307 L CA -0.791 54.136 54.840 0.145 0.000 0.823 307 L CB 1.557 43.635 42.059 0.031 0.000 1.236 307 L HN 0.147 nan 8.230 nan 0.000 0.415 308 E N 1.935 122.319 120.200 0.305 0.000 3.751 308 E HA 0.581 4.931 4.350 -0.001 0.000 0.281 308 E C 0.549 177.223 176.600 0.123 0.000 1.086 308 E CA -0.719 55.814 56.400 0.220 0.000 1.579 308 E CB 0.240 30.079 29.700 0.233 0.000 1.666 308 E HN 0.735 nan 8.360 nan 0.000 0.655 309 G N -0.370 108.517 108.800 0.145 0.000 2.653 309 G HA2 0.041 4.001 3.960 -0.001 0.000 0.265 309 G HA3 0.041 4.001 3.960 -0.001 0.000 0.265 309 G C -0.342 174.538 174.900 -0.032 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 0.121 4.648 4.527 -0.001 0.000 0.294 310 F C 2.417 178.257 175.800 0.067 0.000 1.093 310 F CA 0.815 58.813 58.000 -0.004 0.000 1.420 310 F CB 0.309 39.357 39.000 0.080 0.000 1.086 310 F HN 0.387 nan 8.300 nan 0.000 0.531 311 N N -0.519 118.342 118.700 0.268 0.000 2.235 311 N HA 0.042 4.782 4.740 -0.001 0.000 0.209 311 N C 1.023 176.631 175.510 0.165 0.000 1.122 311 N CA -0.096 53.075 53.050 0.201 0.000 0.845 311 N CB 0.000 38.580 38.487 0.154 0.000 1.004 311 N HN 0.322 nan 8.380 nan 0.000 0.499 312 N N -0.418 118.412 118.700 0.217 0.000 2.402 312 N HA -0.024 4.716 4.740 -0.001 0.000 0.174 312 N C -0.569 175.044 175.510 0.172 0.000 1.027 312 N CA 0.529 53.693 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 1.028 121.299 120.300 -0.049 0.000 2.316 313 Y HA 0.140 4.690 4.550 -0.001 0.000 0.331 313 Y C 1.470 177.341 175.900 -0.048 0.000 1.083 313 Y CA -0.598 57.458 58.100 -0.074 0.000 1.206 313 Y CB 0.929 39.337 38.460 -0.087 0.000 1.195 313 Y HN -0.083 nan 8.280 nan 0.000 0.497 314 T N 1.647 116.207 114.554 0.010 0.000 3.148 314 T HA -0.027 4.323 4.350 -0.001 0.000 0.253 314 T C 1.247 175.982 174.700 0.060 0.000 1.134 314 T CA 0.419 62.511 62.100 -0.014 0.000 1.051 314 T CB -0.209 68.583 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 4.913 4.527 -0.001 0.000 0.297 315 F C 0.827 176.567 175.800 -0.099 0.000 1.124 315 F CA -0.870 57.081 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 0.539 121.848 121.223 0.144 0.000 2.360 316 L HA 0.278 4.618 4.340 -0.001 0.000 0.265 316 L C 0.437 177.393 176.870 0.143 0.000 1.066 316 L CA -0.325 54.566 54.840 0.085 0.000 0.929 316 L CB 0.172 42.246 42.059 0.025 0.000 1.306 316 L HN -0.179 nan 8.230 nan 0.000 0.434 317 S N 1.778 117.561 115.700 0.139 0.000 2.593 317 S HA 0.130 4.600 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 -0.394 57.882 58.200 0.128 0.000 1.015 317 S CB 0.512 63.779 63.200 0.112 0.000 0.912 317 S HN 0.736 nan 8.310 nan 0.000 0.541 318 N N 0.269 119.039 118.700 0.118 0.000 2.741 318 N HA -0.219 4.520 4.740 -0.001 0.000 0.251 318 N C 0.863 176.460 175.510 0.146 0.000 1.112 318 N CA 1.171 54.289 53.050 0.113 0.000 0.750 318 N CB -1.663 36.886 38.487 0.104 0.000 1.119 318 N HN 1.046 nan 8.380 nan 0.000 0.561 319 G N 0.439 109.339 108.800 0.166 0.000 2.793 319 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.334 319 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.334 319 G C -0.329 174.770 174.900 0.333 0.000 1.186 319 G CA 1.235 46.465 45.100 0.217 0.000 0.960 319 G HN 0.853 nan 8.290 nan 0.000 0.562 320 H N 0.189 119.376 119.070 0.194 0.000 2.658 320 H HA 0.645 5.201 4.556 -0.001 0.000 0.337 320 H C -1.190 174.169 175.328 0.052 0.000 1.009 320 H CA -0.195 55.968 56.048 0.193 0.000 1.231 320 H CB 1.589 31.305 29.762 -0.076 0.000 1.508 320 H HN 0.427 nan 8.280 nan 0.000 0.517 321 V N 7.971 127.629 119.914 -0.427 0.000 2.435 321 V HA 0.330 4.450 4.120 -0.001 0.000 0.290 321 V C -2.135 173.597 176.094 -0.603 0.000 1.030 321 V CA -1.544 60.542 62.300 -0.356 0.000 0.881 321 V CB 1.740 33.440 31.823 -0.205 0.000 0.983 321 V HN 0.704 nan 8.190 nan 0.000 0.445 322 P HA 0.469 nan 4.420 nan 0.000 0.296 322 P C -0.784 176.416 177.300 -0.166 0.000 1.306 322 P CA -0.484 62.512 63.100 -0.174 0.000 0.818 322 P CB 1.639 33.338 31.700 -0.002 0.000 0.969 323 I N 5.093 125.553 120.570 -0.183 0.000 2.321 323 I HA 0.356 4.526 4.170 -0.001 0.000 0.291 323 I C -2.242 173.821 176.117 -0.090 0.000 0.998 323 I CA -3.149 58.063 61.300 -0.146 0.000 1.227 323 I CB 1.475 39.355 38.000 -0.200 0.000 1.368 323 I HN 0.177 nan 8.210 nan 0.000 0.466 324 P HA -0.017 nan 4.420 nan 0.000 0.265 324 P C 0.200 177.483 177.300 -0.029 0.000 1.187 324 P CA 0.504 63.580 63.100 -0.039 0.000 0.766 324 P CB 0.687 32.368 31.700 -0.032 0.000 0.820 325 A N 1.010 123.817 122.820 -0.022 0.000 2.798 325 A HA -0.252 4.067 4.320 -0.001 0.000 0.282 325 A C 0.356 177.927 177.584 -0.021 0.000 1.464 325 A CA 1.475 53.504 52.037 -0.013 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 -1.296 118.479 119.800 -0.042 0.000 2.289 326 Q HA 0.587 4.926 4.340 -0.001 0.000 0.270 326 Q C -0.834 175.112 176.000 -0.090 0.000 1.038 326 Q CA -0.465 55.299 55.803 -0.066 0.000 0.812 326 Q CB 1.372 30.065 28.738 -0.076 0.000 1.300 326 Q HN 0.569 nan 8.270 nan 0.000 0.427 327 Q N 3.778 123.515 119.800 -0.105 0.000 2.523 327 Q HA 0.176 4.516 4.340 -0.001 0.000 0.251 327 Q C -0.411 175.483 176.000 -0.176 0.000 1.033 327 Q CA -0.240 55.502 55.803 -0.102 0.000 0.746 327 Q CB 0.826 29.530 28.738 -0.058 0.000 1.189 327 Q HN 0.688 nan 8.270 nan 0.000 0.508 328 D N 2.813 123.070 120.400 -0.238 0.000 2.322 328 D HA -0.209 4.431 4.640 -0.001 0.000 0.210 328 D C 0.088 176.281 176.300 -0.180 0.000 0.983 328 D CA 1.351 55.094 54.000 -0.430 0.000 0.902 328 D CB 0.375 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 1.094 121.461 120.400 -0.054 0.000 2.097 329 D HA -0.160 4.479 4.640 -0.001 0.000 0.195 329 D C 2.180 178.514 176.300 0.057 0.000 0.989 329 D CA 1.190 55.206 54.000 0.027 0.000 0.827 329 D CB -0.284 40.528 40.800 0.021 0.000 0.966 329 D HN 0.558 nan 8.370 nan 0.000 0.456 330 E N -0.093 120.106 120.200 -0.002 0.000 2.250 330 E HA -0.039 4.310 4.350 -0.001 0.000 0.192 330 E C 1.743 178.331 176.600 -0.020 0.000 0.986 330 E CA 0.250 56.656 56.400 0.010 0.000 0.849 330 E CB -0.154 29.541 29.700 -0.008 0.000 0.797 330 E HN 0.060 nan 8.360 nan 0.000 0.482 331 M N 0.757 120.273 119.600 -0.139 0.000 2.149 331 M HA -0.092 4.388 4.480 -0.001 0.000 0.261 331 M C 2.012 178.266 176.300 -0.075 0.000 1.064 331 M CA 1.177 56.314 55.300 -0.273 0.000 1.102 331 M CB -0.981 31.102 32.600 -0.861 0.000 1.369 331 M HN 0.175 nan 8.290 nan 0.000 0.408 332 F N 1.163 121.028 119.950 -0.142 0.000 2.069 332 F HA -0.280 4.247 4.527 -0.001 0.000 0.298 332 F C 2.532 178.390 175.800 0.098 0.000 1.113 332 F CA 2.056 60.128 58.000 0.120 0.000 1.214 332 F CB -0.718 38.357 39.000 0.125 0.000 0.978 332 F HN 0.151 nan 8.300 nan 0.000 0.474 333 Q N 0.879 120.717 119.800 0.063 0.000 2.112 333 Q HA -0.262 4.077 4.340 -0.001 0.000 0.206 333 Q C 2.285 178.240 176.000 -0.075 0.000 0.987 333 Q CA 2.272 58.051 55.803 -0.040 0.000 0.858 333 Q CB -0.644 28.118 28.738 0.041 0.000 0.905 333 Q HN 0.696 nan 8.270 nan 0.000 0.420 334 E N -1.197 118.986 120.200 -0.028 0.000 2.031 334 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 334 E C 1.662 178.238 176.600 -0.041 0.000 0.994 334 E CA 2.019 58.407 56.400 -0.021 0.000 0.800 334 E CB -0.154 29.550 29.700 0.006 0.000 0.752 334 E HN 0.578 nan 8.360 nan 0.000 0.447 335 T N 0.087 114.629 114.554 -0.021 0.000 2.867 335 T HA -0.092 4.258 4.350 -0.001 0.000 0.268 335 T C 2.078 176.686 174.700 -0.154 0.000 1.057 335 T CA 0.674 62.743 62.100 -0.050 0.000 1.136 335 T CB -0.188 68.715 68.868 0.058 0.000 0.874 335 T HN 0.081 nan 8.240 nan 0.000 0.466 336 L N 1.278 122.356 121.223 -0.241 0.000 2.056 336 L HA -0.038 4.301 4.340 -0.001 0.000 0.207 336 L C 2.836 179.615 176.870 -0.151 0.000 1.078 336 L CA 1.888 56.570 54.840 -0.263 0.000 0.749 336 L CB -0.910 40.920 42.059 -0.381 0.000 0.901 336 L HN 0.483 nan 8.230 nan 0.000 0.433 337 E N -0.054 120.074 120.200 -0.119 0.000 2.110 337 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 337 E C 2.202 178.747 176.600 -0.090 0.000 0.988 337 E CA 1.164 57.517 56.400 -0.078 0.000 0.804 337 E CB -0.048 29.621 29.700 -0.052 0.000 0.745 337 E HN 0.475 nan 8.360 nan 0.000 0.458 338 A N 1.847 124.598 122.820 -0.114 0.000 1.877 338 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 338 A C 2.275 179.725 177.584 -0.223 0.000 1.186 338 A CA 1.505 53.456 52.037 -0.144 0.000 0.620 338 A CB -0.518 18.395 19.000 -0.145 0.000 0.822 338 A HN 0.121 nan 8.150 nan 0.000 0.443 339 M N 0.077 119.507 119.600 -0.283 0.000 2.082 339 M HA -0.178 4.302 4.480 -0.001 0.000 0.258 339 M C 2.471 178.619 176.300 -0.252 0.000 1.069 339 M CA 2.296 57.308 55.300 -0.481 0.000 1.102 339 M CB -1.478 30.959 32.600 -0.272 0.000 1.336 339 M HN 0.724 nan 8.290 nan 0.000 0.404 340 T N 0.390 114.887 114.554 -0.095 0.000 2.652 340 T HA -0.141 4.208 4.350 -0.001 0.000 0.267 340 T C 1.787 176.475 174.700 -0.020 0.000 1.039 340 T CA 1.464 63.557 62.100 -0.013 0.000 1.153 340 T CB -0.811 68.051 68.868 -0.011 0.000 0.863 340 T HN 0.210 nan 8.240 nan 0.000 0.428 341 I N 1.333 121.871 120.570 -0.053 0.000 2.185 341 I HA -0.180 3.990 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 1.473 62.748 61.300 -0.041 0.000 1.347 341 I CB -1.521 36.443 38.000 -0.061 0.000 1.041 341 I HN 0.324 nan 8.210 nan 0.000 0.415 342 M N 0.178 119.736 119.600 -0.070 0.000 2.816 342 M HA -0.016 4.464 4.480 -0.001 0.000 0.271 342 M C 1.712 178.056 176.300 0.074 0.000 1.193 342 M CA 2.232 57.512 55.300 -0.032 0.000 1.060 342 M CB -1.165 31.343 32.600 -0.154 0.000 1.076 342 M HN 0.342 nan 8.290 nan 0.000 0.539 343 G N -1.677 107.252 108.800 0.216 0.000 3.934 343 G HA2 0.176 4.135 3.960 -0.001 0.000 0.212 343 G HA3 0.176 4.135 3.960 -0.001 0.000 0.212 343 G C -0.583 174.536 174.900 0.366 0.000 1.126 343 G CA -0.373 44.871 45.100 0.242 0.000 0.877 343 G HN 0.214 nan 8.290 nan 0.000 0.556 344 F N 4.081 124.069 119.950 0.063 0.000 2.552 344 F HA 0.258 4.785 4.527 -0.001 0.000 0.342 344 F C 1.449 177.282 175.800 0.055 0.000 1.257 344 F CA -0.652 57.406 58.000 0.096 0.000 1.058 344 F CB -1.108 37.961 39.000 0.116 0.000 1.288 344 F HN -0.156 nan 8.300 nan 0.000 0.627 345 T N 2.653 117.316 114.554 0.182 0.000 2.709 345 T HA -0.093 4.257 4.350 -0.001 0.000 0.345 345 T C 1.657 176.407 174.700 0.084 0.000 1.086 345 T CA -0.183 61.978 62.100 0.103 0.000 1.084 345 T CB 0.677 69.581 68.868 0.060 0.000 1.000 345 T HN 0.604 nan 8.240 nan 0.000 0.549 346 E N 2.066 122.298 120.200 0.053 0.000 2.049 346 E HA -0.303 4.047 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 2.090 58.512 56.400 0.037 0.000 0.809 346 E CB -0.582 29.135 29.700 0.027 0.000 0.749 346 E HN 0.932 nan 8.360 nan 0.000 0.450 347 E N 1.528 121.725 120.200 -0.004 0.000 2.047 347 E HA -0.121 4.228 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 0.997 57.368 56.400 -0.047 0.000 0.799 347 E CB -0.421 29.256 29.700 -0.038 0.000 0.752 347 E HN 0.286 nan 8.360 nan 0.000 0.449 348 E N 0.666 120.820 120.200 -0.077 0.000 2.284 348 E HA -0.273 4.077 4.350 -0.001 0.000 0.200 348 E C 2.081 178.571 176.600 -0.182 0.000 1.008 348 E CA 1.529 57.854 56.400 -0.124 0.000 0.829 348 E CB -0.077 29.626 29.700 0.005 0.000 0.744 348 E HN 0.496 nan 8.360 nan 0.000 0.491 349 Q N -0.765 119.005 119.800 -0.050 0.000 2.178 349 Q HA -0.050 4.290 4.340 -0.001 0.000 0.195 349 Q C 2.342 178.300 176.000 -0.071 0.000 0.960 349 Q CA 1.489 57.307 55.803 0.025 0.000 0.843 349 Q CB 0.053 28.855 28.738 0.106 0.000 0.927 349 Q HN 0.273 nan 8.270 nan 0.000 0.487 350 T N 0.146 114.658 114.554 -0.069 0.000 2.737 350 T HA -0.153 4.197 4.350 -0.001 0.000 0.269 350 T C 2.082 176.683 174.700 -0.164 0.000 1.040 350 T CA 1.518 63.583 62.100 -0.057 0.000 1.142 350 T CB -0.363 68.484 68.868 -0.036 0.000 0.861 350 T HN 0.040 nan 8.240 nan 0.000 0.456 351 S N 1.718 117.199 115.700 -0.364 0.000 2.382 351 S HA -0.002 4.467 4.470 -0.001 0.000 0.228 351 S C 2.061 176.219 174.600 -0.738 0.000 1.027 351 S CA 1.318 59.129 58.200 -0.647 0.000 0.991 351 S CB -0.519 61.999 63.200 -1.136 0.000 0.823 351 S HN 0.626 nan 8.310 nan 0.000 0.469 352 I N 0.889 121.042 120.570 -0.695 0.000 2.353 352 I HA -0.090 4.079 4.170 -0.001 0.000 0.248 352 I C 2.067 178.157 176.117 -0.046 0.000 1.119 352 I CA 0.863 61.990 61.300 -0.287 0.000 1.417 352 I CB -0.683 37.191 38.000 -0.210 0.000 1.078 352 I HN 0.194 nan 8.210 nan 0.000 0.421 353 L N 1.649 122.869 121.223 -0.005 0.000 1.989 353 L HA -0.224 4.115 4.340 -0.001 0.000 0.211 353 L C 3.073 179.996 176.870 0.089 0.000 1.071 353 L CA 2.048 56.953 54.840 0.108 0.000 0.749 353 L CB -0.744 41.405 42.059 0.149 0.000 0.890 353 L HN 0.373 nan 8.230 nan 0.000 0.431 354 R N -0.079 120.448 120.500 0.045 0.000 2.117 354 R HA -0.146 4.193 4.340 -0.001 0.000 0.243 354 R C 1.976 178.329 176.300 0.088 0.000 1.143 354 R CA 1.723 57.857 56.100 0.058 0.000 0.968 354 R CB -1.259 29.060 30.300 0.032 0.000 0.863 354 R HN 0.124 nan 8.270 nan 0.000 0.444 355 V N 1.450 121.420 119.914 0.095 0.000 2.332 355 V HA -0.245 3.875 4.120 -0.001 0.000 0.248 355 V C 2.556 178.732 176.094 0.136 0.000 1.055 355 V CA 1.843 64.214 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 0.994 120.997 119.914 0.147 0.000 2.295 356 V HA -0.252 3.868 4.120 -0.001 0.000 0.246 356 V C 2.688 178.922 176.094 0.234 0.000 1.049 356 V CA 2.421 64.860 62.300 0.232 0.000 1.024 356 V CB -0.866 31.096 31.823 0.232 0.000 0.648 356 V HN 0.786 nan 8.190 nan 0.000 0.447 357 S N 0.417 116.223 115.700 0.176 0.000 2.402 357 S HA -0.202 4.268 4.470 -0.001 0.000 0.229 357 S C 2.160 176.867 174.600 0.178 0.000 1.021 357 S CA 1.586 59.891 58.200 0.176 0.000 0.974 357 S CB -0.652 62.624 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 4.437 4.470 -0.001 0.000 0.224 358 S C 1.862 176.552 174.600 0.150 0.000 1.029 358 S CA 1.054 59.328 58.200 0.123 0.000 0.988 358 S CB -0.855 62.408 63.200 0.106 0.000 0.838 358 S HN 0.357 nan 8.310 nan 0.000 0.462 359 V N 1.848 121.865 119.914 0.172 0.000 2.427 359 V HA -0.067 4.053 4.120 -0.001 0.000 0.248 359 V C 2.546 178.814 176.094 0.288 0.000 1.051 359 V CA 1.757 64.170 62.300 0.188 0.000 1.048 359 V CB -0.747 31.160 31.823 0.140 0.000 0.666 359 V HN 0.482 nan 8.190 nan 0.000 0.456 360 L N -0.794 120.580 121.223 0.252 0.000 2.083 360 L HA -0.199 4.140 4.340 -0.001 0.000 0.209 360 L C 2.672 179.748 176.870 0.343 0.000 1.083 360 L CA 1.482 56.581 54.840 0.431 0.000 0.752 360 L CB -0.583 41.739 42.059 0.438 0.000 0.899 360 L HN 0.343 nan 8.230 nan 0.000 0.433 361 Q N 0.048 119.923 119.800 0.126 0.000 2.020 361 Q HA -0.186 4.154 4.340 -0.001 0.000 0.202 361 Q C 2.397 178.323 176.000 -0.122 0.000 0.982 361 Q CA 1.384 57.126 55.803 -0.102 0.000 0.838 361 Q CB -0.264 28.451 28.738 -0.038 0.000 0.899 361 Q HN 0.517 nan 8.270 nan 0.000 0.423 362 L N 0.051 121.291 121.223 0.028 0.000 2.369 362 L HA -0.213 4.127 4.340 -0.001 0.000 0.220 362 L C 2.162 178.857 176.870 -0.292 0.000 1.119 362 L CA 1.016 55.866 54.840 0.015 0.000 0.780 362 L CB -0.740 41.442 42.059 0.204 0.000 0.906 362 L HN 0.337 nan 8.230 nan 0.000 0.442 363 G N -0.224 108.144 108.800 -0.720 0.000 2.484 363 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.218 363 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.218 363 G C 1.284 175.712 174.900 -0.787 0.000 1.130 363 G CA 0.313 44.444 45.100 -1.615 0.000 0.784 363 G HN 0.435 nan 8.290 nan 0.000 0.543 364 N N 0.407 118.798 118.700 -0.515 0.000 2.422 364 N HA 0.057 4.796 4.740 -0.001 0.000 0.181 364 N C 0.715 176.021 175.510 -0.340 0.000 1.080 364 N CA -0.026 52.796 53.050 -0.379 0.000 0.893 364 N CB 0.461 38.747 38.487 -0.336 0.000 0.973 364 N HN 0.259 nan 8.380 nan 0.000 0.456 365 I N 2.323 122.676 120.570 -0.361 0.000 2.460 365 I HA 0.015 4.184 4.170 -0.001 0.000 0.297 365 I C -0.432 175.276 176.117 -0.683 0.000 1.139 365 I CA 0.058 61.112 61.300 -0.410 0.000 1.340 365 I CB 0.026 37.853 38.000 -0.289 0.000 1.444 365 I HN -0.277 nan 8.210 nan 0.000 0.557 366 V N 7.234 126.784 119.914 -0.607 0.000 2.581 366 V HA 0.442 4.561 4.120 -0.001 0.000 0.303 366 V C -0.209 175.543 176.094 -0.570 0.000 1.041 366 V CA -0.627 61.307 62.300 -0.610 0.000 0.907 366 V CB 1.852 33.496 31.823 -0.298 0.000 0.994 366 V HN 0.263 nan 8.190 nan 0.000 0.442 367 F N 1.995 121.919 119.950 -0.044 0.000 2.458 367 F HA 0.548 5.075 4.527 -0.001 0.000 0.330 367 F C 0.635 176.417 175.800 -0.030 0.000 1.082 367 F CA -1.221 56.755 58.000 -0.039 0.000 0.995 367 F CB 1.318 40.297 39.000 -0.033 0.000 1.170 367 F HN 0.236 nan 8.300 nan 0.000 0.478 368 K N 1.974 122.481 120.400 0.179 0.000 2.290 368 K HA 0.129 4.448 4.320 -0.001 0.000 0.250 368 K C -0.330 176.311 176.600 0.068 0.000 1.092 368 K CA -0.665 55.673 56.287 0.085 0.000 1.006 368 K CB 0.851 33.381 32.500 0.049 0.000 1.549 368 K HN 0.563 nan 8.250 nan 0.000 0.436 369 K N 3.060 123.501 120.400 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 0.421 56.730 56.287 0.037 0.000 1.190 369 K CB 0.091 32.613 32.500 0.037 0.000 0.850 369 K HN 0.338 nan 8.250 nan 0.000 0.467 370 E N 3.597 123.799 120.200 0.003 0.000 2.558 370 E HA -0.116 4.233 4.350 -0.001 0.000 0.255 370 E C 0.516 177.114 176.600 -0.003 0.000 0.968 370 E CA 0.241 56.639 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 2.738 123.237 120.500 -0.002 0.000 2.090 371 R HA -0.100 4.240 4.340 -0.001 0.000 0.228 371 R C 1.749 178.045 176.300 -0.005 0.000 1.110 371 R CA 1.200 57.299 56.100 -0.002 0.000 0.973 371 R CB -0.060 30.240 30.300 -0.000 0.000 0.869 371 R HN 0.552 nan 8.270 nan 0.000 0.440 372 N N 0.088 118.784 118.700 -0.007 0.000 2.058 372 N HA -0.110 4.630 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 1.945 54.989 53.050 -0.010 0.000 0.848 372 N CB -0.192 38.288 38.487 -0.011 0.000 1.021 372 N HN 0.219 nan 8.380 nan 0.000 0.422 373 T N -1.176 113.368 114.554 -0.017 0.000 3.010 373 T HA 0.155 4.505 4.350 -0.001 0.000 0.257 373 T C -0.296 174.389 174.700 -0.024 0.000 1.020 373 T CA -0.141 61.946 62.100 -0.021 0.000 0.938 373 T CB 0.594 69.446 68.868 -0.027 0.000 1.049 373 T HN 0.015 nan 8.240 nan 0.000 0.522 374 D N 0.728 121.116 120.400 -0.020 0.000 2.911 374 D HA -0.138 4.502 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 0.967 54.955 54.000 -0.020 0.000 1.013 374 D CB -1.360 39.429 40.800 -0.019 0.000 1.093 374 D HN 0.504 nan 8.370 nan 0.000 0.431 375 Q N 0.320 120.094 119.800 -0.042 0.000 2.274 375 Q HA 0.651 4.990 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 -0.062 55.699 55.803 -0.069 0.000 0.939 375 Q CB 1.461 30.154 28.738 -0.074 0.000 1.201 375 Q HN 0.323 nan 8.270 nan 0.000 0.426 376 A N 2.482 125.231 122.820 -0.118 0.000 2.567 376 A HA 0.207 4.527 4.320 -0.001 0.000 0.236 376 A C 0.145 177.671 177.584 -0.097 0.000 1.088 376 A CA 0.437 52.404 52.037 -0.117 0.000 0.776 376 A CB 0.160 18.936 19.000 -0.373 0.000 1.033 376 A HN 0.764 nan 8.150 nan 0.000 0.513 377 S N -0.227 115.478 115.700 0.007 0.000 2.546 377 S HA 0.600 5.070 4.470 -0.001 0.000 0.274 377 S C -0.669 173.998 174.600 0.112 0.000 1.121 377 S CA -0.568 57.645 58.200 0.021 0.000 0.887 377 S CB 1.446 64.656 63.200 0.018 0.000 1.094 377 S HN 0.993 nan 8.310 nan 0.000 0.474 378 M N 3.563 123.201 119.600 0.064 0.000 2.741 378 M HA 0.459 4.939 4.480 -0.001 0.000 0.283 378 M C -2.184 174.130 176.300 0.024 0.000 1.176 378 M CA -2.187 53.159 55.300 0.076 0.000 1.139 378 M CB 0.508 33.133 32.600 0.043 0.000 1.234 378 M HN 0.510 nan 8.290 nan 0.000 0.497 379 P HA -0.103 nan 4.420 nan 0.000 0.208 379 P C -0.197 177.098 177.300 -0.008 0.000 1.195 379 P CA 1.192 64.293 63.100 0.001 0.000 0.927 379 P CB -0.046 31.653 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 4.700 4.640 -0.001 0.000 0.225 380 D C 0.759 177.043 176.300 -0.027 0.000 1.156 380 D CA -0.146 53.841 54.000 -0.023 0.000 0.874 380 D CB -0.719 40.062 40.800 -0.032 0.000 1.034 380 D HN -0.053 nan 8.370 nan 0.000 0.502 381 N N 2.124 120.813 118.700 -0.019 0.000 2.550 381 N HA -0.103 4.637 4.740 -0.001 0.000 0.186 381 N C 1.132 176.631 175.510 -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 -0.013 0.000 0.968 381 N HN 0.429 nan 8.380 nan 0.000 0.448 382 T N 1.600 116.141 114.554 -0.023 0.000 2.635 382 T HA -0.297 4.053 4.350 -0.001 0.000 0.265 382 T C 1.999 176.682 174.700 -0.029 0.000 1.058 382 T CA 1.887 63.973 62.100 -0.024 0.000 1.162 382 T CB -0.325 68.521 68.868 -0.036 0.000 0.859 382 T HN 0.412 nan 8.240 nan 0.000 0.449 383 A N 1.507 124.296 122.820 -0.052 0.000 1.842 383 A HA 0.003 4.323 4.320 -0.001 0.000 0.217 383 A C 2.708 180.282 177.584 -0.016 0.000 1.206 383 A CA 2.617 54.613 52.037 -0.068 0.000 0.630 383 A CB -1.497 17.436 19.000 -0.111 0.000 0.839 383 A HN 0.596 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 -0.288 4.032 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 2.062 54.145 52.037 0.076 0.000 0.633 384 A CB -0.834 18.169 19.000 0.005 0.000 0.819 384 A HN 0.721 nan 8.150 nan 0.000 0.448 385 Q N -0.635 119.202 119.800 0.062 0.000 2.112 385 Q HA -0.190 4.149 4.340 -0.001 0.000 0.206 385 Q C 2.007 178.066 176.000 0.099 0.000 0.987 385 Q CA 1.836 57.683 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 -0.129 120.312 120.400 0.069 0.000 2.366 386 K HA -0.003 4.317 4.320 -0.001 0.000 0.198 386 K C 1.628 178.276 176.600 0.081 0.000 1.044 386 K CA 0.314 56.639 56.287 0.062 0.000 0.973 386 K CB 0.381 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 -0.351 119.622 119.914 0.099 0.000 2.825 387 V HA -0.171 3.949 4.120 -0.001 0.000 0.246 387 V C 1.881 178.036 176.094 0.101 0.000 1.068 387 V CA 0.937 63.299 62.300 0.104 0.000 1.088 387 V CB 0.248 32.152 31.823 0.135 0.000 0.733 387 V HN 0.411 nan 8.190 nan 0.000 0.468 388 C N -0.682 118.699 119.300 0.135 0.000 2.446 388 C HA -0.130 4.329 4.460 -0.001 0.000 0.277 388 C C 2.604 177.642 174.990 0.080 0.000 1.275 388 C CA 0.821 59.894 59.018 0.092 0.000 1.727 388 C CB -1.204 26.619 27.740 0.139 0.000 2.010 388 C HN 0.648 nan 8.230 nan 0.000 0.486 389 H N 0.387 119.478 119.070 0.034 0.000 2.560 389 H HA 0.061 4.617 4.556 -0.001 0.000 0.283 389 H C 1.694 177.036 175.328 0.024 0.000 1.028 389 H CA 0.992 57.055 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 -1.415 119.911 121.223 0.172 0.000 2.609 390 L HA 0.065 4.405 4.340 -0.001 0.000 0.230 390 L C 1.963 178.885 176.870 0.086 0.000 1.087 390 L CA 0.135 55.046 54.840 0.118 0.000 0.874 390 L CB 0.128 42.242 42.059 0.092 0.000 1.114 390 L HN 0.143 nan 8.230 nan 0.000 0.488 391 M N -0.806 118.822 119.600 0.047 0.000 2.545 391 M HA 0.194 4.674 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 1.068 56.366 55.300 -0.004 0.000 1.162 391 M CB 0.519 33.053 32.600 -0.109 0.000 1.330 391 M HN 0.245 nan 8.290 nan 0.000 0.479 392 G N 1.080 109.879 108.800 -0.003 0.000 2.157 392 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.239 392 G HA3 -0.206 3.754 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 0.305 45.395 45.100 -0.017 0.000 0.650 392 G HN 0.501 nan 8.290 nan 0.000 0.527 393 I N -1.387 119.143 120.570 -0.067 0.000 3.078 393 I HA 0.606 4.776 4.170 -0.001 0.000 0.318 393 I C 0.440 176.536 176.117 -0.034 0.000 1.016 393 I CA -1.865 59.392 61.300 -0.071 0.000 1.130 393 I CB 0.619 38.541 38.000 -0.130 0.000 1.397 393 I HN 0.069 nan 8.210 nan 0.000 0.570 394 N N 1.487 120.181 118.700 -0.009 0.000 2.514 394 N HA 0.132 4.872 4.740 -0.001 0.000 0.277 394 N C 0.922 176.475 175.510 0.072 0.000 1.126 394 N CA -0.210 52.847 53.050 0.012 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 2.509 122.456 119.914 0.054 0.000 2.232 395 V HA -0.263 3.857 4.120 -0.001 0.000 0.241 395 V C 2.626 178.753 176.094 0.056 0.000 1.036 395 V CA 2.549 64.895 62.300 0.078 0.000 0.993 395 V CB -2.066 29.778 31.823 0.034 0.000 0.639 395 V HN 0.880 nan 8.190 nan 0.000 0.459 396 T N -1.428 113.135 114.554 0.015 0.000 2.653 396 T HA -0.402 3.948 4.350 -0.001 0.000 0.267 396 T C 1.747 176.443 174.700 -0.006 0.000 1.037 396 T CA 2.521 64.615 62.100 -0.009 0.000 1.159 396 T CB -1.043 67.819 68.868 -0.011 0.000 0.859 396 T HN 0.631 nan 8.240 nan 0.000 0.449 397 D N 0.060 120.475 120.400 0.024 0.000 2.087 397 D HA -0.071 4.569 4.640 -0.001 0.000 0.192 397 D C 1.774 178.124 176.300 0.082 0.000 0.993 397 D CA 1.544 55.566 54.000 0.036 0.000 0.828 397 D CB -0.427 40.396 40.800 0.037 0.000 0.968 397 D HN 0.478 nan 8.370 nan 0.000 0.448 398 F N 2.151 122.075 119.950 -0.042 0.000 2.171 398 F HA -0.169 4.358 4.527 -0.001 0.000 0.300 398 F C 2.268 178.053 175.800 -0.025 0.000 1.090 398 F CA 1.391 59.367 58.000 -0.042 0.000 1.293 398 F CB -0.900 38.078 39.000 -0.038 0.000 1.013 398 F HN -0.141 nan 8.300 nan 0.000 0.486 399 T N 1.179 115.545 114.554 -0.314 0.000 2.708 399 T HA -0.211 4.139 4.350 -0.001 0.000 0.266 399 T C 2.232 176.766 174.700 -0.276 0.000 1.037 399 T CA 1.625 63.478 62.100 -0.412 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 1.045 121.454 120.500 -0.151 0.000 2.090 400 R HA -0.040 4.300 4.340 -0.001 0.000 0.228 400 R C 2.524 178.768 176.300 -0.095 0.000 1.110 400 R CA 1.451 57.485 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 0.388 nan 8.270 nan 0.000 0.440 401 S N 1.172 116.841 115.700 -0.053 0.000 2.356 401 S HA -0.164 4.305 4.470 -0.001 0.000 0.223 401 S C 1.906 176.498 174.600 -0.013 0.000 1.032 401 S CA 1.231 59.428 58.200 -0.004 0.000 1.005 401 S CB -0.301 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 0.883 121.426 120.570 -0.045 0.000 2.546 402 I HA 0.013 4.183 4.170 -0.001 0.000 0.255 402 I C 1.780 177.796 176.117 -0.169 0.000 1.163 402 I CA 0.795 62.067 61.300 -0.046 0.000 1.457 402 I CB -0.068 37.875 38.000 -0.094 0.000 1.092 402 I HN 0.214 nan 8.210 nan 0.000 0.434 403 L N -0.674 120.411 121.223 -0.231 0.000 2.051 403 L HA 0.012 4.352 4.340 -0.001 0.000 0.202 403 L C 1.032 177.792 176.870 -0.184 0.000 1.097 403 L CA 1.168 55.841 54.840 -0.278 0.000 0.762 403 L CB -0.584 41.322 42.059 -0.256 0.000 0.913 403 L HN 0.237 nan 8.230 nan 0.000 0.447 404 T N -0.756 113.719 114.554 -0.132 0.000 3.145 404 T HA 0.347 4.697 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 -2.205 59.840 62.100 -0.092 0.000 1.037 404 T CB 0.401 69.222 68.868 -0.079 0.000 1.122 404 T HN -0.114 nan 8.240 nan 0.000 0.600 405 P HA 0.144 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 -0.173 62.908 63.100 -0.033 0.000 0.767 405 P CB 0.319 32.004 31.700 -0.025 0.000 0.785 406 R N 4.134 124.621 120.500 -0.023 0.000 4.464 406 R HA 0.138 4.478 4.340 -0.001 0.000 0.229 406 R C 0.339 176.630 176.300 -0.015 0.000 1.916 406 R CA -0.442 55.647 56.100 -0.020 0.000 1.601 406 R CB -1.453 28.836 30.300 -0.018 0.000 1.315 406 R HN 0.324 nan 8.270 nan 0.000 0.725 407 I N 0.804 121.365 120.570 -0.014 0.000 3.224 407 I HA -0.252 3.918 4.170 -0.001 0.000 0.306 407 I C 0.633 176.745 176.117 -0.008 0.000 1.231 407 I CA 1.372 62.667 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 0.231 nan 8.210 nan 0.000 0.581 408 K N 3.006 123.403 120.400 -0.004 0.000 2.756 408 K HA 0.311 4.631 4.320 -0.001 0.000 0.218 408 K C -0.285 176.315 176.600 0.000 0.000 1.057 408 K CA -0.269 56.015 56.287 -0.004 0.000 1.056 408 K CB 1.154 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 1.521 121.435 119.914 -0.001 0.000 3.590 409 V HA -0.034 4.086 4.120 -0.001 0.000 0.272 409 V C 1.585 177.681 176.094 0.003 0.000 1.233 409 V CA 1.325 63.627 62.300 0.003 0.000 1.182 409 V CB -0.930 30.894 31.823 0.000 0.000 0.901 409 V HN 1.092 nan 8.190 nan 0.000 0.485 410 G N 2.256 111.057 108.800 0.001 0.000 4.236 410 G HA2 -0.442 3.517 3.960 -0.001 0.000 0.222 410 G HA3 -0.442 3.517 3.960 -0.001 0.000 0.222 410 G C 1.251 176.150 174.900 -0.002 0.000 1.354 410 G CA 0.580 45.680 45.100 0.000 0.000 0.966 410 G HN 0.604 nan 8.290 nan 0.000 0.624 411 R N 2.335 122.834 120.500 -0.001 0.000 2.357 411 R HA 0.243 4.583 4.340 -0.001 0.000 0.202 411 R C 0.583 176.881 176.300 -0.004 0.000 1.047 411 R CA 1.809 57.907 56.100 -0.002 0.000 1.034 411 R CB -0.507 29.792 30.300 -0.002 0.000 0.875 411 R HN 0.693 nan 8.270 nan 0.000 0.473 412 D N -2.074 118.323 120.400 -0.005 0.000 2.992 412 D HA 0.170 4.810 4.640 -0.001 0.000 0.349 412 D C -0.804 175.492 176.300 -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 41.744 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 4.395 4.120 -0.001 0.000 0.330 413 V C -0.225 175.862 176.094 -0.012 0.000 1.224 413 V CA -0.715 61.579 62.300 -0.010 0.000 1.314 413 V CB 0.988 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 2.712 122.619 119.914 -0.012 0.000 2.416 414 V HA 0.016 4.135 4.120 -0.001 0.000 0.267 414 V C 0.765 176.848 176.094 -0.017 0.000 1.007 414 V CA 0.482 62.773 62.300 -0.015 0.000 1.102 414 V CB 0.509 32.324 31.823 -0.014 0.000 1.035 414 V HN 0.956 nan 8.190 nan 0.000 0.473 415 Q N 5.547 125.336 119.800 -0.020 0.000 2.279 415 Q HA 0.513 4.853 4.340 -0.001 0.000 0.256 415 Q C -0.386 175.598 176.000 -0.028 0.000 0.937 415 Q CA -0.150 55.639 55.803 -0.023 0.000 0.933 415 Q CB 1.195 29.919 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 5.213 4.320 -0.001 0.000 0.242 416 K C -1.794 174.778 176.600 -0.048 0.000 1.083 416 K CA -0.735 55.530 56.287 -0.037 0.000 0.880 416 K CB 2.018 34.497 32.500 -0.034 0.000 1.353 416 K HN 0.738 nan 8.250 nan 0.000 0.486 417 A N 1.194 123.982 122.820 -0.054 0.000 2.486 417 A HA 0.492 4.812 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 1.648 20.603 19.000 -0.075 0.000 1.278 417 A HN 0.607 nan 8.150 nan 0.000 0.405 418 Q N 0.576 120.321 119.800 -0.092 0.000 2.248 418 Q HA 0.642 4.981 4.340 -0.001 0.000 0.263 418 Q C 0.447 176.389 176.000 -0.096 0.000 1.007 418 Q CA -0.782 54.972 55.803 -0.082 0.000 0.877 418 Q CB 1.057 29.753 28.738 -0.071 0.000 1.315 418 Q HN 0.747 nan 8.270 nan 0.000 0.454 419 T N -0.015 114.501 114.554 -0.064 0.000 2.905 419 T HA -0.097 4.253 4.350 -0.001 0.000 0.400 419 T C 1.135 175.799 174.700 -0.059 0.000 1.098 419 T CA -0.107 61.965 62.100 -0.047 0.000 1.095 419 T CB 0.145 69.004 68.868 -0.015 0.000 1.281 419 T HN 0.752 nan 8.240 nan 0.000 0.515 420 K N 0.846 121.249 120.400 0.005 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 1.032 57.372 56.287 0.089 0.000 0.961 420 K CB -0.270 32.329 32.500 0.164 0.000 0.741 420 K HN 0.622 nan 8.250 nan 0.000 0.452 421 E N 1.394 121.670 120.200 0.126 0.000 1.997 421 E HA -0.198 4.152 4.350 -0.001 0.000 0.201 421 E C 1.975 178.680 176.600 0.174 0.000 1.011 421 E CA 1.357 57.844 56.400 0.145 0.000 0.847 421 E CB -0.254 29.497 29.700 0.086 0.000 0.787 421 E HN 0.363 nan 8.360 nan 0.000 0.472 422 Q N 0.098 119.949 119.800 0.085 0.000 2.308 422 Q HA -0.131 4.209 4.340 -0.001 0.000 0.209 422 Q C 1.887 177.967 176.000 0.132 0.000 0.985 422 Q CA 1.293 57.137 55.803 0.069 0.000 0.881 422 Q CB -0.589 28.127 28.738 -0.038 0.000 0.917 422 Q HN 0.327 nan 8.270 nan 0.000 0.443 423 A N 0.930 123.797 122.820 0.079 0.000 1.897 423 A HA -0.146 4.173 4.320 -0.001 0.000 0.215 423 A C 1.800 179.606 177.584 0.370 0.000 1.181 423 A CA 1.382 53.404 52.037 -0.025 0.000 0.620 423 A CB -0.154 18.536 19.000 -0.517 0.000 0.821 423 A HN 0.169 nan 8.150 nan 0.000 0.443 424 D N -1.038 119.660 120.400 0.497 0.000 2.110 424 D HA -0.079 4.561 4.640 -0.001 0.000 0.202 424 D C 1.595 178.087 176.300 0.320 0.000 0.975 424 D CA 1.023 55.286 54.000 0.439 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 1.559 121.599 119.950 0.149 0.000 2.287 425 F HA -0.192 4.335 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 1.227 59.296 58.000 0.115 0.000 1.372 425 F CB 0.014 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 -0.182 122.873 122.820 0.391 0.000 1.956 426 A HA 0.042 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 0.906 53.120 52.037 0.295 0.000 0.675 426 A CB -0.852 18.298 19.000 0.251 0.000 0.845 426 A HN 0.478 nan 8.150 nan 0.000 0.455 427 I N -0.490 120.229 120.570 0.247 0.000 2.761 427 I HA -0.104 4.066 4.170 -0.001 0.000 0.261 427 I C 2.159 178.390 176.117 0.190 0.000 1.198 427 I CA 1.467 62.917 61.300 0.250 0.000 1.482 427 I CB 0.007 38.185 38.000 0.297 0.000 1.100 427 I HN 0.492 nan 8.210 nan 0.000 0.445 428 E N 1.549 121.829 120.200 0.132 0.000 2.051 428 E HA -0.164 4.186 4.350 -0.001 0.000 0.189 428 E C 1.904 178.522 176.600 0.029 0.000 0.979 428 E CA 1.251 57.711 56.400 0.100 0.000 0.803 428 E CB -0.119 29.589 29.700 0.013 0.000 0.761 428 E HN 0.505 nan 8.360 nan 0.000 0.451 429 A N 0.982 123.765 122.820 -0.062 0.000 2.252 429 A HA 0.077 4.397 4.320 -0.001 0.000 0.207 429 A C 1.828 179.456 177.584 0.073 0.000 1.194 429 A CA 0.416 52.416 52.037 -0.062 0.000 0.809 429 A CB -0.339 18.563 19.000 -0.164 0.000 0.814 429 A HN 0.373 nan 8.150 nan 0.000 0.482 430 L N -2.104 119.195 121.223 0.127 0.000 2.347 430 L HA 0.456 4.795 4.340 -0.001 0.000 0.196 430 L C 2.341 179.344 176.870 0.221 0.000 1.072 430 L CA 1.601 56.558 54.840 0.195 0.000 0.817 430 L CB -0.697 41.461 42.059 0.164 0.000 1.029 430 L HN 0.105 nan 8.230 nan 0.000 0.478 431 A N 1.271 124.203 122.820 0.188 0.000 1.845 431 A HA -0.264 4.055 4.320 -0.001 0.000 0.215 431 A C 2.331 179.969 177.584 0.090 0.000 1.195 431 A CA 2.394 54.533 52.037 0.170 0.000 0.616 431 A CB -0.917 18.230 19.000 0.244 0.000 0.832 431 A HN 0.657 nan 8.150 nan 0.000 0.443 432 K N -0.179 120.239 120.400 0.029 0.000 2.218 432 K HA -0.023 4.297 4.320 -0.001 0.000 0.205 432 K C 1.459 178.096 176.600 0.061 0.000 1.046 432 K CA 1.875 58.154 56.287 -0.015 0.000 0.933 432 K CB -0.313 32.162 32.500 -0.042 0.000 0.728 432 K HN 0.327 nan 8.250 nan 0.000 0.454 433 A N 0.421 123.284 122.820 0.072 0.000 2.252 433 A HA 0.130 4.449 4.320 -0.001 0.000 0.213 433 A C 1.792 179.315 177.584 -0.102 0.000 1.188 433 A CA 0.074 52.117 52.037 0.011 0.000 0.863 433 A CB -0.111 18.916 19.000 0.044 0.000 0.893 433 A HN 0.305 nan 8.150 nan 0.000 0.495 434 K N -0.963 119.459 120.400 0.037 0.000 2.432 434 K HA -0.007 4.313 4.320 -0.001 0.000 0.196 434 K C 1.376 177.908 176.600 -0.113 0.000 1.038 434 K CA 0.940 57.206 56.287 -0.035 0.000 0.986 434 K CB -0.178 32.545 32.500 0.372 0.000 0.782 434 K HN 0.487 nan 8.250 nan 0.000 0.485 435 F N 1.151 120.989 119.950 -0.187 0.000 2.220 435 F HA 0.054 4.581 4.527 -0.000 0.000 0.290 435 F C 2.014 177.658 175.800 -0.259 0.000 1.080 435 F CA 0.880 58.742 58.000 -0.229 0.000 1.318 435 F CB -0.207 38.651 39.000 -0.238 0.000 1.063 435 F HN -0.041 nan 8.300 nan 0.000 0.498 436 E N 0.513 120.371 120.200 -0.571 0.000 2.204 436 E HA -0.192 4.158 4.350 -0.001 0.000 0.195 436 E C 2.189 178.518 176.600 -0.452 0.000 0.990 436 E CA 0.438 56.479 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 0.258 nan 8.360 nan 0.000 0.477 437 R N 0.448 120.666 120.500 -0.471 0.000 2.152 437 R HA -0.134 4.205 4.340 -0.001 0.000 0.232 437 R C 2.374 178.402 176.300 -0.454 0.000 1.117 437 R CA 0.621 56.396 56.100 -0.541 0.000 0.981 437 R CB -0.441 29.314 30.300 -0.909 0.000 0.870 437 R HN 0.266 nan 8.270 nan 0.000 0.451 438 L N -0.595 120.340 121.223 -0.481 0.000 2.168 438 L HA 0.010 4.349 4.340 -0.001 0.000 0.203 438 L C 2.073 178.742 176.870 -0.335 0.000 1.078 438 L CA 1.091 55.678 54.840 -0.421 0.000 0.780 438 L CB -0.612 41.165 42.059 -0.471 0.000 0.939 438 L HN -0.039 nan 8.230 nan 0.000 0.451 439 F N 1.319 120.844 119.950 -0.708 0.000 2.043 439 F HA -0.275 4.251 4.527 -0.001 0.000 0.297 439 F C 2.428 178.067 175.800 -0.269 0.000 1.118 439 F CA 1.897 59.565 58.000 -0.554 0.000 1.202 439 F CB -0.398 38.163 39.000 -0.732 0.000 0.965 439 F HN 0.077 nan 8.300 nan 0.000 0.482 440 R N -0.765 119.526 120.500 -0.348 0.000 2.241 440 R HA -0.216 4.124 4.340 -0.001 0.000 0.224 440 R C 1.989 178.135 176.300 -0.257 0.000 1.101 440 R CA 1.181 57.066 56.100 -0.359 0.000 0.995 440 R CB -1.801 28.359 30.300 -0.233 0.000 0.870 440 R HN 0.608 nan 8.270 nan 0.000 0.463 441 W N 1.902 122.982 121.300 -0.367 0.000 2.380 441 W HA -0.133 4.527 4.660 -0.001 0.000 0.317 441 W C 1.776 178.152 176.519 -0.238 0.000 1.196 441 W CA 1.116 58.278 57.345 -0.305 0.000 1.307 441 W CB -0.061 29.193 29.460 -0.343 0.000 1.157 441 W HN -0.165 nan 8.180 nan 0.000 0.483 442 I N 0.902 121.658 120.570 0.311 0.000 2.076 442 I HA -0.317 3.853 4.170 -0.001 0.000 0.237 442 I C 2.517 178.619 176.117 -0.025 0.000 1.059 442 I CA 1.758 63.250 61.300 0.321 0.000 1.317 442 I CB -1.926 36.365 38.000 0.484 0.000 1.037 442 I HN 0.180 nan 8.210 nan 0.000 0.398 443 L N 0.817 121.901 121.223 -0.232 0.000 2.151 443 L HA -0.265 4.075 4.340 -0.001 0.000 0.215 443 L C 2.180 178.918 176.870 -0.220 0.000 1.084 443 L CA 2.213 56.881 54.840 -0.287 0.000 0.764 443 L CB -0.453 41.303 42.059 -0.504 0.000 0.891 443 L HN 0.343 nan 8.230 nan 0.000 0.435 444 T N -2.212 112.174 114.554 -0.280 0.000 3.086 444 T HA 0.057 4.406 4.350 -0.001 0.000 0.250 444 T C 1.810 176.309 174.700 -0.334 0.000 1.074 444 T CA -0.114 61.817 62.100 -0.280 0.000 0.988 444 T CB 0.069 68.755 68.868 -0.303 0.000 0.988 444 T HN 0.181 nan 8.240 nan 0.000 0.530 445 R N 1.296 121.561 120.500 -0.391 0.000 2.090 445 R HA 0.230 4.570 4.340 -0.001 0.000 0.219 445 R C 2.060 178.307 176.300 -0.089 0.000 1.100 445 R CA 0.561 56.385 56.100 -0.461 0.000 0.991 445 R CB -0.931 28.851 30.300 -0.862 0.000 0.893 445 R HN 0.294 nan 8.270 nan 0.000 0.443 446 V N 2.007 121.950 119.914 0.048 0.000 2.239 446 V HA -0.181 3.938 4.120 -0.001 0.000 0.242 446 V C 1.909 178.001 176.094 -0.004 0.000 1.038 446 V CA 1.698 64.058 62.300 0.100 0.000 1.002 446 V CB -0.548 31.323 31.823 0.080 0.000 0.641 446 V HN 0.348 nan 8.190 nan 0.000 0.449 447 N N 0.128 118.797 118.700 -0.051 0.000 2.484 447 N HA -0.243 4.497 4.740 -0.001 0.000 0.193 447 N C 1.754 177.224 175.510 -0.066 0.000 1.033 447 N CA 1.529 54.541 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 0.189 120.544 120.400 -0.076 0.000 2.186 448 K HA 0.065 4.385 4.320 -0.001 0.000 0.202 448 K C 1.831 178.407 176.600 -0.040 0.000 1.052 448 K CA 0.898 57.141 56.287 -0.075 0.000 0.965 448 K CB 0.093 32.529 32.500 -0.107 0.000 0.746 448 K HN 0.039 nan 8.250 nan 0.000 0.457 449 A N 1.339 124.149 122.820 -0.017 0.000 1.878 449 A HA 0.066 4.386 4.320 -0.001 0.000 0.213 449 A C 1.776 179.355 177.584 -0.008 0.000 1.192 449 A CA 0.502 52.538 52.037 -0.001 0.000 0.619 449 A CB -0.449 18.567 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 4.534 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 55.295 54.840 -0.019 0.000 0.910 450 L CB -1.226 40.818 42.059 -0.025 0.000 1.082 450 L HN 0.466 nan 8.230 nan 0.000 0.433 459 S N -0.022 115.781 115.700 0.171 0.000 2.687 459 S HA 0.842 5.312 4.470 -0.001 0.000 0.283 459 S C -0.517 174.214 174.600 0.218 0.000 1.170 459 S CA 0.083 58.408 58.200 0.208 0.000 1.008 459 S CB 1.486 64.849 63.200 0.273 0.000 1.026 459 S HN 1.806 nan 8.310 nan 0.000 0.541 460 F N -0.567 119.371 119.950 -0.020 0.000 2.669 460 F HA 0.655 5.182 4.527 -0.001 0.000 0.315 460 F C -2.168 173.563 175.800 -0.114 0.000 1.109 460 F CA -1.230 56.656 58.000 -0.190 0.000 1.028 460 F CB 0.539 39.477 39.000 -0.103 0.000 1.287 460 F HN 0.674 nan 8.300 nan 0.000 0.452 461 L N 3.823 124.868 121.223 -0.298 0.000 2.309 461 L HA 0.925 5.265 4.340 -0.001 0.000 0.282 461 L C -0.017 176.791 176.870 -0.103 0.000 1.036 461 L CA -0.266 54.446 54.840 -0.213 0.000 0.806 461 L CB 1.737 43.806 42.059 0.015 0.000 1.220 461 L HN 1.006 nan 8.230 nan 0.000 0.429 462 G N 5.902 114.603 108.800 -0.167 0.000 2.417 462 G HA2 0.583 4.542 3.960 -0.001 0.000 0.320 462 G HA3 0.583 4.542 3.960 -0.001 0.000 0.320 462 G C -0.855 173.811 174.900 -0.391 0.000 1.204 462 G CA -0.455 44.484 45.100 -0.268 0.000 0.923 462 G HN 0.553 nan 8.290 nan 0.000 0.466 463 I N 3.113 123.367 120.570 -0.528 0.000 2.405 463 I HA 0.216 4.386 4.170 -0.001 0.000 0.280 463 I C -0.694 175.201 176.117 -0.370 0.000 1.027 463 I CA -0.752 60.343 61.300 -0.342 0.000 1.161 463 I CB 1.727 39.604 38.000 -0.205 0.000 1.300 463 I HN 0.214 nan 8.210 nan 0.000 0.463 464 L N 6.154 127.236 121.223 -0.235 0.000 2.282 464 L HA 0.295 4.635 4.340 -0.001 0.000 0.287 464 L C -0.050 176.813 176.870 -0.013 0.000 1.075 464 L CA 0.254 55.068 54.840 -0.043 0.000 0.839 464 L CB 0.418 42.531 42.059 0.091 0.000 1.219 464 L HN 0.500 nan 8.230 nan 0.000 0.434 465 D N 5.103 125.508 120.400 0.009 0.000 2.557 465 D HA 0.234 4.873 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 53.521 54.000 -0.021 0.000 0.985 465 D CB 0.002 40.773 40.800 -0.048 0.000 1.010 465 D HN 0.493 nan 8.370 nan 0.000 0.516 466 I N -0.316 120.251 120.570 -0.005 0.000 3.488 466 I HA 0.712 4.881 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 -1.074 60.221 61.300 -0.009 0.000 0.812 466 I CB 0.561 38.546 38.000 -0.025 0.000 1.672 466 I HN 0.179 nan 8.210 nan 0.000 0.819 467 A N 0.139 122.947 122.820 -0.020 0.000 2.337 467 A HA 0.771 5.091 4.320 -0.001 0.000 0.331 467 A C 0.005 177.598 177.584 0.017 0.000 1.137 467 A CA -0.296 51.727 52.037 -0.024 0.000 0.807 467 A CB 0.629 19.617 19.000 -0.019 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 4.408 3.960 -0.001 0.000 0.301 468 G HA3 0.449 4.408 3.960 -0.001 0.000 0.301 468 G C -0.237 174.743 174.900 0.133 0.000 1.154 468 G CA -0.572 44.577 45.100 0.082 0.000 0.852 468 G HN 0.794 nan 8.290 nan 0.000 0.511 469 F N 2.268 122.248 119.950 0.049 0.000 2.392 469 F HA 0.033 4.560 4.527 -0.001 0.000 0.318 469 F C 1.099 176.939 175.800 0.066 0.000 1.209 469 F CA -0.257 57.783 58.000 0.067 0.000 0.914 469 F CB -0.243 38.798 39.000 0.069 0.000 1.103 469 F HN 0.508 nan 8.300 nan 0.000 0.591 470 E N 6.773 126.814 120.200 -0.265 0.000 2.214 470 E HA 0.552 4.902 4.350 -0.001 0.000 0.274 470 E C -0.634 175.803 176.600 -0.272 0.000 0.977 470 E CA -1.090 55.206 56.400 -0.174 0.000 0.827 470 E CB 2.536 32.356 29.700 0.200 0.000 1.130 470 E HN 0.634 nan 8.360 nan 0.000 0.394 471 I N 1.391 121.853 120.570 -0.180 0.000 2.599 471 I HA 0.324 4.494 4.170 -0.001 0.000 0.285 471 I C -1.650 174.523 176.117 0.094 0.000 1.168 471 I CA -0.803 60.457 61.300 -0.068 0.000 1.060 471 I CB 0.562 38.375 38.000 -0.311 0.000 1.249 471 I HN 0.469 nan 8.210 nan 0.000 0.442 472 F N 4.473 124.328 119.950 -0.157 0.000 2.861 472 F HA 0.531 5.058 4.527 -0.001 0.000 0.222 472 F C 1.575 177.323 175.800 -0.087 0.000 1.320 472 F CA -0.524 57.415 58.000 -0.101 0.000 0.960 472 F CB -0.296 38.666 39.000 -0.064 0.000 2.058 472 F HN 0.422 nan 8.300 nan 0.000 0.528 473 E N -0.910 119.414 120.200 0.207 0.000 2.413 473 E HA 0.257 4.606 4.350 -0.001 0.000 0.203 473 E C -0.746 175.889 176.600 0.059 0.000 0.957 473 E CA 0.338 56.790 56.400 0.086 0.000 0.950 473 E CB 0.510 30.256 29.700 0.078 0.000 0.957 473 E HN 0.238 nan 8.360 nan 0.000 0.497 474 I N 1.958 122.562 120.570 0.057 0.000 2.493 474 I HA 0.145 4.314 4.170 -0.001 0.000 0.279 474 I C -0.809 175.296 176.117 -0.020 0.000 1.045 474 I CA -0.426 60.893 61.300 0.031 0.000 1.106 474 I CB 1.492 39.512 38.000 0.035 0.000 1.216 474 I HN -0.159 nan 8.210 nan 0.000 0.459 475 N N 4.715 123.426 118.700 0.018 0.000 3.083 475 N HA 0.111 4.850 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 -0.167 52.901 53.050 0.029 0.000 1.060 475 N CB 1.123 39.467 38.487 -0.239 0.000 1.345 475 N HN 0.613 nan 8.380 nan 0.000 0.515 476 S N 0.792 116.629 115.700 0.227 0.000 2.614 476 S HA -0.055 4.414 4.470 -0.001 0.000 0.251 476 S C 1.312 176.108 174.600 0.327 0.000 1.388 476 S CA -0.323 58.083 58.200 0.343 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 2.012 121.835 119.950 -0.211 0.000 2.069 477 F HA -0.040 4.486 4.527 -0.001 0.000 0.298 477 F C 2.032 177.608 175.800 -0.373 0.000 1.113 477 F CA 2.424 59.926 58.000 -0.829 0.000 1.214 477 F CB -1.290 37.061 39.000 -1.082 0.000 0.978 477 F HN 0.771 nan 8.300 nan 0.000 0.474 478 E N 0.171 120.184 120.200 -0.311 0.000 2.086 478 E HA -0.323 4.027 4.350 -0.001 0.000 0.205 478 E C 1.994 178.447 176.600 -0.245 0.000 1.027 478 E CA 2.162 58.365 56.400 -0.329 0.000 0.830 478 E CB -0.584 29.025 29.700 -0.152 0.000 0.751 478 E HN 0.393 nan 8.360 nan 0.000 0.456 479 Q N -0.222 119.513 119.800 -0.108 0.000 2.368 479 Q HA -0.105 4.235 4.340 -0.001 0.000 0.210 479 Q C 1.908 177.992 176.000 0.140 0.000 0.982 479 Q CA 0.727 56.526 55.803 -0.007 0.000 0.884 479 Q CB -0.157 28.566 28.738 -0.024 0.000 0.933 479 Q HN 0.318 nan 8.270 nan 0.000 0.460 480 L N -0.997 120.271 121.223 0.074 0.000 2.049 480 L HA -0.075 4.265 4.340 -0.001 0.000 0.203 480 L C 1.676 178.575 176.870 0.050 0.000 1.074 480 L CA 1.656 56.555 54.840 0.098 0.000 0.749 480 L CB -0.752 41.180 42.059 -0.212 0.000 0.907 480 L HN 0.273 nan 8.230 nan 0.000 0.439 481 C N -0.514 118.679 119.300 -0.178 0.000 2.448 481 C HA 0.060 4.520 4.460 -0.001 0.000 0.280 481 C C 2.654 177.736 174.990 0.155 0.000 1.398 481 C CA 0.067 59.118 59.018 0.054 0.000 1.774 481 C CB -1.412 26.156 27.740 -0.287 0.000 1.888 481 C HN 0.612 nan 8.230 nan 0.000 0.519 482 I N 2.126 122.709 120.570 0.022 0.000 2.110 482 I HA -0.178 3.991 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 -0.292 37.712 38.000 0.005 0.000 1.054 482 I HN 0.264 nan 8.210 nan 0.000 0.402 483 N N -0.068 118.721 118.700 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 0.144 0.000 1.016 483 N CA 0.953 54.117 53.050 0.192 0.000 0.872 483 N CB -0.503 38.096 38.487 0.185 0.000 0.973 483 N HN 0.408 nan 8.380 nan 0.000 0.433 484 Y N 1.801 122.156 120.300 0.092 0.000 2.128 484 Y HA -0.204 4.346 4.550 -0.001 0.000 0.284 484 Y C 1.974 177.906 175.900 0.054 0.000 1.154 484 Y CA 1.670 59.833 58.100 0.105 0.000 1.149 484 Y CB -0.934 37.608 38.460 0.138 0.000 0.976 484 Y HN 0.041 nan 8.280 nan 0.000 0.505 485 T N 0.516 114.939 114.554 -0.219 0.000 2.821 485 T HA -0.180 4.170 4.350 -0.001 0.000 0.267 485 T C 1.767 176.320 174.700 -0.245 0.000 1.046 485 T CA 1.519 63.423 62.100 -0.326 0.000 1.139 485 T CB -0.500 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 -0.121 0.000 2.043 486 N HA -0.173 4.567 4.740 -0.001 0.000 0.193 486 N C 2.085 177.366 175.510 -0.381 0.000 1.037 486 N CA 1.412 54.396 53.050 -0.110 0.000 0.851 486 N CB -0.153 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 1.305 121.229 120.200 -0.460 0.000 2.118 487 E HA -0.153 4.197 4.350 -0.001 0.000 0.195 487 E C 1.874 178.240 176.600 -0.390 0.000 0.992 487 E CA 1.114 57.144 56.400 -0.616 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 0.066 120.264 120.400 -0.337 0.000 2.026 488 K HA -0.135 4.185 4.320 -0.001 0.000 0.208 488 K C 2.025 178.506 176.600 -0.197 0.000 1.048 488 K CA 0.751 56.869 56.287 -0.283 0.000 0.929 488 K CB -0.427 31.822 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 4.176 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 56.565 54.840 -0.075 0.000 0.755 489 L CB -0.978 41.055 42.059 -0.042 0.000 0.904 489 L HN 0.167 nan 8.230 nan 0.000 0.435 490 Q N -0.520 119.162 119.800 -0.195 0.000 2.084 490 Q HA -0.265 4.075 4.340 -0.001 0.000 0.202 490 Q C 2.252 178.206 176.000 -0.078 0.000 0.978 490 Q CA 2.012 57.695 55.803 -0.200 0.000 0.844 490 Q CB -0.367 28.051 28.738 -0.533 0.000 0.898 490 Q HN 0.509 nan 8.270 nan 0.000 0.426 491 Q N -0.227 119.511 119.800 -0.103 0.000 2.084 491 Q HA -0.115 4.225 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 -0.712 27.992 28.738 -0.057 0.000 0.898 491 Q HN 0.485 nan 8.270 nan 0.000 0.426 492 L N -0.078 121.152 121.223 0.012 0.000 2.013 492 L HA -0.143 4.196 4.340 -0.001 0.000 0.212 492 L C 2.086 179.008 176.870 0.087 0.000 1.073 492 L CA 2.065 56.951 54.840 0.077 0.000 0.753 492 L CB -1.142 40.978 42.059 0.102 0.000 0.890 492 L HN 0.360 nan 8.230 nan 0.000 0.432 493 F N 1.046 120.922 119.950 -0.122 0.000 2.046 493 F HA -0.268 4.259 4.527 -0.001 0.000 0.297 493 F C 2.161 177.594 175.800 -0.612 0.000 1.123 493 F CA 2.342 60.060 58.000 -0.469 0.000 1.199 493 F CB -0.675 37.864 39.000 -0.769 0.000 0.972 493 F HN 0.358 nan 8.300 nan 0.000 0.474 494 N N -1.349 117.114 118.700 -0.396 0.000 2.104 494 N HA -0.285 4.455 4.740 -0.001 0.000 0.190 494 N C 1.765 176.828 175.510 -0.744 0.000 1.024 494 N CA 1.414 54.018 53.050 -0.743 0.000 0.853 494 N CB -0.570 37.925 38.487 0.014 0.000 1.008 494 N HN 0.366 nan 8.380 nan 0.000 0.424 495 H N 0.873 119.715 119.070 -0.381 0.000 2.253 495 H HA -0.078 4.478 4.556 -0.001 0.000 0.296 495 H C 1.946 177.099 175.328 -0.291 0.000 1.074 495 H CA 2.473 58.383 56.048 -0.229 0.000 1.263 495 H CB -0.739 28.953 29.762 -0.116 0.000 1.363 495 H HN 0.263 nan 8.280 nan 0.000 0.489 496 T N -1.099 113.232 114.554 -0.372 0.000 2.881 496 T HA -0.147 4.203 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 1.281 63.149 62.100 -0.386 0.000 1.131 496 T CB -0.078 68.692 68.868 -0.164 0.000 0.871 496 T HN 0.104 nan 8.240 nan 0.000 0.479 497 M N 1.271 120.390 119.600 -0.802 0.000 2.136 497 M HA 0.257 4.736 4.480 -0.001 0.000 0.249 497 M C 2.047 178.014 176.300 -0.554 0.000 1.146 497 M CA 0.916 55.666 55.300 -0.918 0.000 1.108 497 M CB -1.273 30.259 32.600 -1.779 0.000 1.199 497 M HN 0.284 nan 8.290 nan 0.000 0.439 498 F N 0.360 120.093 119.950 -0.361 0.000 2.074 498 F HA 0.016 4.543 4.527 -0.001 0.000 0.293 498 F C 2.384 178.207 175.800 0.039 0.000 1.116 498 F CA 0.426 58.296 58.000 -0.216 0.000 1.212 498 F CB -1.968 36.886 39.000 -0.242 0.000 0.998 498 F HN 0.076 nan 8.300 nan 0.000 0.471 499 I N 0.458 121.117 120.570 0.148 0.000 2.139 499 I HA -0.347 3.822 4.170 -0.001 0.000 0.211 499 I C 2.498 178.588 176.117 -0.044 0.000 1.000 499 I CA 1.355 62.730 61.300 0.125 0.000 1.327 499 I CB -1.023 37.038 38.000 0.102 0.000 1.052 499 I HN 0.102 nan 8.210 nan 0.000 0.385 500 L N 0.384 121.387 121.223 -0.366 0.000 2.056 500 L HA -0.383 3.956 4.340 -0.001 0.000 0.237 500 L C 2.699 179.449 176.870 -0.201 0.000 1.106 500 L CA 2.345 56.967 54.840 -0.363 0.000 0.829 500 L CB -0.665 41.083 42.059 -0.518 0.000 0.924 500 L HN 0.438 nan 8.230 nan 0.000 0.447 501 E N -0.440 119.628 120.200 -0.220 0.000 2.086 501 E HA -0.370 3.980 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 2.266 58.501 56.400 -0.275 0.000 0.830 501 E CB -0.251 29.324 29.700 -0.207 0.000 0.751 501 E HN 0.415 nan 8.360 nan 0.000 0.456 502 Q N -0.097 119.713 119.800 0.016 0.000 2.173 502 Q HA -0.248 4.092 4.340 -0.001 0.000 0.208 502 Q C 2.062 178.194 176.000 0.220 0.000 0.989 502 Q CA 2.233 58.268 55.803 0.387 0.000 0.872 502 Q CB -0.016 29.146 28.738 0.706 0.000 0.909 502 Q HN 0.418 nan 8.270 nan 0.000 0.420 503 E N 0.144 120.390 120.200 0.076 0.000 2.070 503 E HA -0.269 4.081 4.350 -0.001 0.000 0.197 503 E C 1.883 178.489 176.600 0.011 0.000 1.004 503 E CA 1.516 57.943 56.400 0.044 0.000 0.805 503 E CB -0.271 29.422 29.700 -0.010 0.000 0.744 503 E HN 0.382 nan 8.360 nan 0.000 0.451 504 E N 0.366 120.509 120.200 -0.096 0.000 2.265 504 E HA -0.170 4.180 4.350 -0.001 0.000 0.196 504 E C 1.666 178.262 176.600 -0.006 0.000 0.996 504 E CA 0.826 57.197 56.400 -0.048 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 0.463 120.782 120.300 0.033 0.000 2.184 505 Y HA -0.067 4.483 4.550 -0.001 0.000 0.290 505 Y C 2.324 178.209 175.900 -0.025 0.000 1.129 505 Y CA 1.354 59.372 58.100 -0.136 0.000 1.144 505 Y CB -0.731 37.617 38.460 -0.186 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 0.257 0.000 2.050 506 Q HA -0.171 4.169 4.340 -0.001 0.000 0.202 506 Q C 2.409 178.456 176.000 0.078 0.000 0.980 506 Q CA 1.415 57.322 55.803 0.173 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 0.322 120.855 120.500 0.056 0.000 2.083 507 R HA -0.153 4.187 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 -0.023 30.292 30.300 0.025 0.000 0.851 507 R HN 0.222 nan 8.270 nan 0.000 0.434 508 E N -1.223 118.974 120.200 -0.006 0.000 2.208 508 E HA -0.059 4.290 4.350 -0.001 0.000 0.193 508 E C 1.298 177.859 176.600 -0.065 0.000 0.988 508 E CA 1.098 57.474 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 1.399 110.164 108.800 -0.058 0.000 2.213 509 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.236 509 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.236 509 G C 0.612 175.469 174.900 -0.071 0.000 0.991 509 G CA 0.177 45.256 45.100 -0.035 0.000 0.629 509 G HN 0.336 nan 8.290 nan 0.000 0.517 510 I N -0.191 120.265 120.570 -0.190 0.000 3.115 510 I HA 0.167 4.336 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 0.662 61.804 61.300 -0.264 0.000 1.453 510 I CB 0.440 38.076 38.000 -0.606 0.000 1.307 510 I HN 0.262 nan 8.210 nan 0.000 0.568 511 E N 6.958 127.102 120.200 -0.093 0.000 1.954 511 E HA -0.071 4.278 4.350 -0.001 0.000 0.272 511 E C -0.842 175.845 176.600 0.145 0.000 1.170 511 E CA -0.056 56.348 56.400 0.006 0.000 1.101 511 E CB 0.094 29.784 29.700 -0.018 0.000 1.076 511 E HN 0.704 nan 8.360 nan 0.000 0.449 512 W N 3.761 125.008 121.300 -0.090 0.000 3.207 512 W HA 0.369 5.029 4.660 -0.001 0.000 0.340 512 W C -0.954 175.572 176.519 0.011 0.000 1.336 512 W CA -0.717 56.594 57.345 -0.057 0.000 1.097 512 W CB 1.530 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 1.307 119.331 118.700 -1.126 0.000 2.555 513 N HA 0.146 4.886 4.740 -0.001 0.000 0.265 513 N C -1.914 173.037 175.510 -0.933 0.000 1.135 513 N CA -0.579 52.014 53.050 -0.760 0.000 0.925 513 N CB 1.683 39.829 38.487 -0.570 0.000 1.662 513 N HN 0.239 nan 8.380 nan 0.000 0.489 514 F N 1.849 121.564 119.950 -0.391 0.000 2.459 514 F HA 0.574 5.101 4.527 -0.000 0.000 0.346 514 F C -0.678 175.044 175.800 -0.129 0.000 1.128 514 F CA -0.238 57.691 58.000 -0.119 0.000 1.268 514 F CB 0.521 39.540 39.000 0.032 0.000 1.161 514 F HN 0.474 nan 8.300 nan 0.000 0.583 515 I N 4.955 124.854 120.570 -1.119 0.000 2.500 515 I HA 0.159 4.328 4.170 -0.001 0.000 0.286 515 I C -1.167 174.192 176.117 -1.263 0.000 1.063 515 I CA -0.587 60.121 61.300 -0.987 0.000 1.062 515 I CB 1.548 39.256 38.000 -0.488 0.000 1.223 515 I HN 0.412 nan 8.210 nan 0.000 0.435 516 D N 5.615 125.384 120.400 -1.051 0.000 2.339 516 D HA 0.202 4.842 4.640 -0.001 0.000 0.241 516 D C 0.475 176.598 176.300 -0.295 0.000 1.183 516 D CA 0.058 53.817 54.000 -0.402 0.000 0.859 516 D CB 0.711 41.499 40.800 -0.019 0.000 1.067 516 D HN 0.287 nan 8.370 nan 0.000 0.484 517 F N 1.177 121.012 119.950 -0.193 0.000 2.804 517 F HA 0.158 4.685 4.527 -0.001 0.000 0.303 517 F C 1.976 177.661 175.800 -0.191 0.000 1.154 517 F CA 0.117 57.924 58.000 -0.322 0.000 1.401 517 F CB -0.177 38.316 39.000 -0.846 0.000 1.106 517 F HN 0.574 nan 8.300 nan 0.000 0.568 518 G N 1.645 110.489 108.800 0.073 0.000 2.372 518 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.297 518 G HA3 -0.279 3.681 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 0.866 122.232 121.223 0.239 0.000 2.573 519 L HA 0.555 4.895 4.340 -0.001 0.000 0.260 519 L C -0.875 176.181 176.870 0.309 0.000 0.997 519 L CA -0.610 54.414 54.840 0.306 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 2.774 123.307 120.400 0.223 0.000 2.931 520 D HA 0.405 5.045 4.640 -0.001 0.000 0.215 520 D C -0.438 175.953 176.300 0.151 0.000 1.297 520 D CA -0.430 53.678 54.000 0.180 0.000 0.892 520 D CB 1.564 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 2.272 123.567 121.223 0.120 0.000 2.959 521 L HA 0.338 4.677 4.340 -0.001 0.000 0.259 521 L C 1.762 178.701 176.870 0.114 0.000 1.185 521 L CA -0.517 54.396 54.840 0.121 0.000 0.998 521 L CB 0.208 42.314 42.059 0.079 0.000 1.337 521 L HN 0.294 nan 8.230 nan 0.000 0.555 522 Q N 2.073 121.931 119.800 0.097 0.000 2.082 522 Q HA -0.161 4.179 4.340 -0.001 0.000 0.211 522 Q C -0.519 175.560 176.000 0.131 0.000 1.002 522 Q CA 2.615 58.470 55.803 0.086 0.000 0.868 522 Q CB -1.227 27.551 28.738 0.065 0.000 0.931 522 Q HN 0.327 nan 8.270 nan 0.000 0.414 523 P HA -0.191 nan 4.420 nan 0.000 0.212 523 P C 1.260 178.722 177.300 0.271 0.000 1.178 523 P CA 1.548 64.803 63.100 0.259 0.000 0.915 523 P CB -0.562 31.317 31.700 0.299 0.000 0.788 524 C N -1.170 118.254 119.300 0.206 0.000 2.402 524 C HA -0.075 4.384 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 0.331 59.433 59.018 0.140 0.000 1.787 524 C CB -2.209 25.650 27.740 0.199 0.000 1.726 524 C HN 0.112 nan 8.230 nan 0.000 0.565 525 I N -0.254 120.428 120.570 0.187 0.000 2.499 525 I HA -0.006 4.164 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 62.062 61.300 0.215 0.000 1.422 525 I CB -0.704 37.402 38.000 0.177 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 -0.271 4.079 4.350 -0.001 0.000 0.196 526 E C 2.189 178.861 176.600 0.120 0.000 0.998 526 E CA 1.220 57.696 56.400 0.126 0.000 0.806 526 E CB -0.726 29.053 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 0.145 0.000 2.450 527 L HA -0.140 4.200 4.340 -0.001 0.000 0.225 527 L C 1.828 178.709 176.870 0.018 0.000 1.145 527 L CA 0.846 55.715 54.840 0.049 0.000 0.801 527 L CB 0.105 42.045 42.059 -0.199 0.000 0.924 527 L HN 0.082 nan 8.230 nan 0.000 0.447 528 I N -2.752 117.844 120.570 0.044 0.000 4.620 528 I HA 0.085 4.255 4.170 -0.001 0.000 0.347 528 I C 1.147 177.225 176.117 -0.065 0.000 1.302 528 I CA 0.084 61.384 61.300 0.000 0.000 1.277 528 I CB 0.420 38.418 38.000 -0.004 0.000 1.566 528 I HN 0.121 nan 8.210 nan 0.000 0.547 529 E N 0.799 121.005 120.200 0.011 0.000 2.357 529 E HA 0.266 4.616 4.350 -0.001 0.000 0.190 529 E C 0.759 177.375 176.600 0.027 0.000 1.022 529 E CA -0.522 55.889 56.400 0.018 0.000 1.068 529 E CB 0.165 29.922 29.700 0.095 0.000 1.465 529 E HN 0.132 nan 8.360 nan 0.000 0.503 530 R N 1.760 122.285 120.500 0.042 0.000 2.486 530 R HA -0.052 4.288 4.340 -0.001 0.000 0.304 530 R C -1.903 174.413 176.300 0.026 0.000 0.913 530 R CA -0.351 55.768 56.100 0.032 0.000 1.124 530 R CB 0.585 30.905 30.300 0.035 0.000 0.891 530 R HN 0.220 nan 8.270 nan 0.000 0.410 531 P HA -0.007 nan 4.420 nan 0.000 0.212 531 P C 0.085 177.394 177.300 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 31.494 31.700 0.020 0.000 0.766 532 T N -1.503 113.057 114.554 0.010 0.000 2.748 532 T HA 0.166 4.516 4.350 -0.001 0.000 0.304 532 T C 0.663 175.366 174.700 0.006 0.000 1.041 532 T CA -0.354 61.749 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 0.183 nan 8.240 nan 0.000 0.536 533 N N -0.257 118.445 118.700 0.003 0.000 5.925 533 N HA -0.129 4.611 4.740 -0.001 0.000 0.361 533 N C -2.877 172.635 175.510 0.003 0.000 0.922 533 N CA 0.143 53.194 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 0.054 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 0.027 63.128 63.100 0.001 0.000 0.762 534 P CB -0.048 31.653 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 0.938 32.646 31.700 0.013 0.000 1.006 536 G N -0.051 108.764 108.800 0.025 0.000 2.417 536 G HA2 0.336 4.296 3.960 -0.001 0.000 0.334 536 G HA3 0.336 4.296 3.960 -0.001 0.000 0.334 536 G C 0.990 175.926 174.900 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 1.075 121.026 119.914 0.061 0.000 2.353 537 V HA -0.267 3.853 4.120 -0.001 0.000 0.260 537 V C 2.620 178.932 176.094 0.363 0.000 1.091 537 V CA 2.143 64.561 62.300 0.198 0.000 1.088 537 V CB -0.625 31.378 31.823 0.299 0.000 0.672 537 V HN 0.615 nan 8.190 nan 0.000 0.455 538 L N -1.202 120.157 121.223 0.226 0.000 2.168 538 L HA 0.033 4.373 4.340 -0.001 0.000 0.203 538 L C 2.576 179.527 176.870 0.134 0.000 1.078 538 L CA 1.196 56.151 54.840 0.193 0.000 0.780 538 L CB -0.495 41.644 42.059 0.133 0.000 0.939 538 L HN 0.341 nan 8.230 nan 0.000 0.451 539 A N 0.515 123.400 122.820 0.108 0.000 1.873 539 A HA -0.264 4.056 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 1.961 54.053 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 -1.378 119.940 121.223 0.157 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 -0.784 41.408 42.059 0.221 0.000 0.888 540 L HN 0.485 nan 8.230 nan 0.000 0.432 541 L N 0.040 121.426 121.223 0.271 0.000 2.021 541 L HA -0.316 4.023 4.340 -0.001 0.000 0.215 541 L C 2.040 178.837 176.870 -0.122 0.000 1.074 541 L CA 1.960 56.617 54.840 -0.306 0.000 0.760 541 L CB -0.628 40.984 42.059 -0.745 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 -0.010 0.000 2.564 542 D HA -0.301 4.338 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 2.083 56.133 54.000 0.082 0.000 0.922 542 D CB -0.597 40.291 40.800 0.145 0.000 1.186 542 D HN 0.650 nan 8.370 nan 0.000 0.487 543 E N 1.074 121.471 120.200 0.328 0.000 2.072 543 E HA -0.216 4.134 4.350 -0.001 0.000 0.191 543 E C 1.832 178.668 176.600 0.392 0.000 0.985 543 E CA 1.114 57.823 56.400 0.514 0.000 0.801 543 E CB -0.512 29.327 29.700 0.232 0.000 0.750 543 E HN 0.304 nan 8.360 nan 0.000 0.452 544 E N 1.084 121.414 120.200 0.218 0.000 2.284 544 E HA -0.198 4.152 4.350 -0.001 0.000 0.200 544 E C 2.123 178.825 176.600 0.169 0.000 1.008 544 E CA 1.476 57.975 56.400 0.165 0.000 0.829 544 E CB -0.493 29.296 29.700 0.149 0.000 0.744 544 E HN 0.518 nan 8.360 nan 0.000 0.491 545 C N -1.485 117.875 119.300 0.100 0.000 2.533 545 C HA 0.108 4.567 4.460 -0.001 0.000 0.272 545 C C 2.210 177.210 174.990 0.017 0.000 1.371 545 C CA -0.324 58.684 59.018 -0.016 0.000 1.758 545 C CB -1.826 25.796 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 0.082 0.000 2.595 546 W HA 0.214 4.874 4.660 -0.000 0.000 0.257 546 W C 1.233 177.809 176.519 0.094 0.000 1.267 546 W CA -0.312 57.077 57.345 0.074 0.000 1.300 546 W CB -0.441 29.058 29.460 0.066 0.000 1.120 546 W HN 0.225 nan 8.180 nan 0.000 0.618 547 F N 3.466 123.534 119.950 0.197 0.000 2.471 547 F HA 0.091 4.618 4.527 -0.001 0.000 0.353 547 F C -0.618 175.224 175.800 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 -0.294 nan 8.300 nan 0.000 0.578 548 P HA -0.208 nan 4.420 nan 0.000 0.214 548 P C 0.302 177.600 177.300 -0.004 0.000 1.162 548 P CA 1.435 64.360 63.100 -0.292 0.000 0.879 548 P CB -0.030 31.407 31.700 -0.437 0.000 0.786 549 K N 0.348 120.873 120.400 0.209 0.000 3.100 549 K HA 0.344 4.664 4.320 -0.001 0.000 0.256 549 K C -0.443 176.445 176.600 0.480 0.000 1.146 549 K CA -0.372 56.172 56.287 0.427 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 0.425 0.000 2.305 550 A HA 0.531 4.851 4.320 -0.001 0.000 0.322 550 A C -0.344 177.315 177.584 0.125 0.000 1.187 550 A CA -0.439 51.749 52.037 0.252 0.000 0.825 550 A CB 0.874 20.040 19.000 0.276 0.000 1.164 550 A HN 0.419 nan 8.150 nan 0.000 0.498 551 T N -0.443 114.163 114.554 0.087 0.000 2.864 551 T HA 0.417 4.766 4.350 -0.001 0.000 0.299 551 T C 0.041 174.784 174.700 0.071 0.000 1.166 551 T CA -0.533 61.605 62.100 0.063 0.000 1.007 551 T CB 1.246 70.145 68.868 0.051 0.000 1.219 551 T HN 0.501 nan 8.240 nan 0.000 0.506 552 D N 1.397 121.834 120.400 0.062 0.000 2.154 552 D HA -0.205 4.435 4.640 -0.001 0.000 0.190 552 D C 1.937 178.289 176.300 0.085 0.000 1.003 552 D CA 2.209 56.252 54.000 0.071 0.000 0.849 552 D CB -1.194 39.641 40.800 0.058 0.000 0.942 552 D HN 0.705 nan 8.370 nan 0.000 0.446 553 T N 1.709 116.287 114.554 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 -0.003 0.000 1.247 553 T CA 2.761 64.863 62.100 0.004 0.000 1.261 553 T CB -1.023 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 2.593 118.296 115.700 0.005 0.000 2.509 554 S HA -0.355 4.115 4.470 -0.001 0.000 0.285 554 S C 1.609 176.199 174.600 -0.015 0.000 1.185 554 S CA 2.017 60.208 58.200 -0.014 0.000 1.152 554 S CB -1.592 61.606 63.200 -0.003 0.000 1.088 554 S HN 0.471 nan 8.310 nan 0.000 0.446 555 F N 4.036 123.917 119.950 -0.115 0.000 2.025 555 F HA -0.197 4.329 4.527 -0.001 0.000 0.297 555 F C 2.324 178.004 175.800 -0.199 0.000 1.132 555 F CA 1.715 59.630 58.000 -0.141 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 1.762 121.286 119.914 -0.650 0.000 2.277 556 V HA -0.401 3.718 4.120 -0.001 0.000 0.255 556 V C 2.511 178.295 176.094 -0.517 0.000 1.074 556 V CA 2.470 64.297 62.300 -0.789 0.000 1.058 556 V CB -1.484 30.077 31.823 -0.438 0.000 0.656 556 V HN 0.522 nan 8.190 nan 0.000 0.449 557 E N 1.007 121.027 120.200 -0.300 0.000 2.110 557 E HA -0.273 4.076 4.350 -0.001 0.000 0.193 557 E C 2.066 178.551 176.600 -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 0.666 nan 8.360 nan 0.000 0.458 558 K N 0.670 120.930 120.400 -0.233 0.000 2.026 558 K HA -0.122 4.198 4.320 -0.001 0.000 0.208 558 K C 2.292 178.752 176.600 -0.233 0.000 1.048 558 K CA 0.732 56.907 56.287 -0.188 0.000 0.929 558 K CB -0.229 32.187 32.500 -0.139 0.000 0.713 558 K HN -0.008 nan 8.250 nan 0.000 0.439 559 L N 0.974 121.952 121.223 -0.409 0.000 2.043 559 L HA -0.218 4.122 4.340 -0.001 0.000 0.212 559 L C 1.911 178.607 176.870 -0.290 0.000 1.075 559 L CA 1.729 56.300 54.840 -0.449 0.000 0.752 559 L CB -0.264 41.358 42.059 -0.728 0.000 0.891 559 L HN 0.264 nan 8.230 nan 0.000 0.432 560 I N -2.402 118.091 120.570 -0.128 0.000 2.500 560 I HA -0.203 3.967 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 0.066 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 0.907 120.672 119.800 -0.059 0.000 2.449 561 Q HA -0.222 4.118 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 1.459 57.233 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 -2.421 117.748 120.200 -0.053 0.000 2.661 562 E HA -0.002 4.347 4.350 -0.001 0.000 0.202 562 E C 0.975 177.553 176.600 -0.038 0.000 0.911 562 E CA 0.024 56.398 56.400 -0.043 0.000 1.581 562 E CB 0.230 29.897 29.700 -0.055 0.000 1.667 562 E HN -0.044 nan 8.360 nan 0.000 0.911 563 Q N 0.363 120.103 119.800 -0.099 0.000 2.319 563 Q HA 0.177 4.517 4.340 -0.001 0.000 0.202 563 Q C 1.643 177.714 176.000 0.117 0.000 0.896 563 Q CA 0.688 56.421 55.803 -0.117 0.000 0.942 563 Q CB 0.408 28.859 28.738 -0.479 0.000 1.083 563 Q HN 0.313 nan 8.270 nan 0.000 0.510 564 G N 0.666 109.597 108.800 0.218 0.000 2.591 564 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.218 564 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.218 564 G C 0.942 176.016 174.900 0.291 0.000 1.113 564 G CA 0.644 45.971 45.100 0.379 0.000 0.740 564 G HN 0.263 nan 8.290 nan 0.000 0.569 565 N N -0.538 118.297 118.700 0.226 0.000 2.458 565 N HA 0.101 4.840 4.740 -0.001 0.000 0.274 565 N C -1.010 174.616 175.510 0.193 0.000 1.242 565 N CA -0.150 52.998 53.050 0.163 0.000 0.904 565 N CB 0.316 38.852 38.487 0.081 0.000 1.206 565 N HN 0.501 nan 8.380 nan 0.000 0.510 566 H N -0.383 118.815 119.070 0.213 0.000 2.481 566 H HA 0.403 4.959 4.556 -0.001 0.000 0.333 566 H C 1.000 176.451 175.328 0.205 0.000 1.066 566 H CA -0.445 55.717 56.048 0.191 0.000 1.209 566 H CB 1.721 31.594 29.762 0.185 0.000 1.445 566 H HN 0.138 nan 8.280 nan 0.000 0.488 567 A N 4.426 127.537 122.820 0.486 0.000 1.849 567 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 567 A C 1.954 179.698 177.584 0.268 0.000 1.202 567 A CA 1.346 53.569 52.037 0.310 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 -1.186 119.377 120.400 0.271 0.000 2.589 568 K HA 0.031 4.351 4.320 -0.001 0.000 0.195 568 K C -0.197 176.437 176.600 0.057 0.000 1.040 568 K CA 0.118 56.436 56.287 0.052 0.000 0.950 568 K CB -0.771 31.682 32.500 -0.079 0.000 0.781 568 K HN 0.458 nan 8.250 nan 0.000 0.486 569 F N 0.598 120.513 119.950 -0.058 0.000 2.492 569 F HA 0.369 4.896 4.527 -0.000 0.000 0.327 569 F C -0.622 175.214 175.800 0.059 0.000 1.079 569 F CA -1.101 56.901 58.000 0.003 0.000 0.967 569 F CB 1.302 40.327 39.000 0.041 0.000 1.169 569 F HN -0.159 nan 8.300 nan 0.000 0.472 570 Q N 3.985 123.354 119.800 -0.718 0.000 2.320 570 Q HA 0.196 4.535 4.340 -0.001 0.000 0.272 570 Q C -1.311 174.306 176.000 -0.639 0.000 1.023 570 Q CA -1.024 54.452 55.803 -0.545 0.000 0.855 570 Q CB 2.746 31.362 28.738 -0.203 0.000 1.367 570 Q HN 0.604 nan 8.270 nan 0.000 0.406 571 K N 1.413 121.541 120.400 -0.452 0.000 2.412 571 K HA 0.119 4.439 4.320 -0.001 0.000 0.284 571 K C 0.075 176.594 176.600 -0.134 0.000 1.046 571 K CA 0.173 56.297 56.287 -0.272 0.000 0.999 571 K CB 0.774 33.177 32.500 -0.163 0.000 0.941 571 K HN 0.523 nan 8.250 nan 0.000 0.474 572 S N 3.043 118.705 115.700 -0.064 0.000 2.599 572 S HA -0.088 4.381 4.470 -0.001 0.000 0.303 572 S C 0.829 175.414 174.600 -0.025 0.000 1.267 572 S CA 0.389 58.582 58.200 -0.012 0.000 1.055 572 S CB 0.436 63.659 63.200 0.037 0.000 0.790 572 S HN 0.558 nan 8.310 nan 0.000 0.500 573 K N 2.265 122.654 120.400 -0.019 0.000 2.067 573 K HA 0.065 4.385 4.320 -0.001 0.000 0.203 573 K C 0.396 176.991 176.600 -0.008 0.000 1.048 573 K CA 0.893 57.169 56.287 -0.018 0.000 0.954 573 K CB 0.060 32.550 32.500 -0.017 0.000 0.737 573 K HN 0.655 nan 8.250 nan 0.000 0.444 574 Q N 0.831 120.630 119.800 -0.001 0.000 2.322 574 Q HA 0.271 4.611 4.340 -0.001 0.000 0.265 574 Q C -0.343 175.663 176.000 0.011 0.000 0.985 574 Q CA -0.141 55.665 55.803 0.004 0.000 0.849 574 Q CB 1.950 30.691 28.738 0.006 0.000 1.274 574 Q HN 0.142 nan 8.270 nan 0.000 0.449 575 L N 3.495 124.723 121.223 0.008 0.000 3.154 575 L HA 0.079 4.419 4.340 -0.001 0.000 0.266 575 L C 1.439 178.316 176.870 0.012 0.000 1.300 575 L CA -0.012 54.835 54.840 0.011 0.000 1.028 575 L CB 0.062 42.124 42.059 0.004 0.000 1.412 575 L HN 0.729 nan 8.230 nan 0.000 0.564 576 K N -0.570 119.838 120.400 0.014 0.000 2.113 576 K HA -0.304 4.016 4.320 -0.001 0.000 0.224 576 K C 0.246 176.855 176.600 0.015 0.000 0.975 576 K CA 2.479 58.775 56.287 0.015 0.000 0.973 576 K CB -0.149 32.362 32.500 0.019 0.000 0.867 576 K HN 0.310 nan 8.250 nan 0.000 0.470 577 D N -0.915 119.497 120.400 0.019 0.000 2.097 577 D HA 0.154 4.794 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 -0.011 54.001 54.000 0.019 0.000 0.917 577 D CB 0.506 41.319 40.800 0.023 0.000 1.784 577 D HN 0.117 nan 8.370 nan 0.000 0.532 578 K N 0.552 120.967 120.400 0.026 0.000 2.720 578 K HA 0.494 4.813 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 -0.263 56.041 56.287 0.027 0.000 1.088 578 K CB 1.128 33.652 32.500 0.039 0.000 1.449 578 K HN 0.002 nan 8.250 nan 0.000 0.542 579 T N -0.870 113.696 114.554 0.021 0.000 2.841 579 T HA 0.583 4.932 4.350 -0.001 0.000 0.283 579 T C -1.056 173.673 174.700 0.048 0.000 1.000 579 T CA -0.853 61.255 62.100 0.013 0.000 0.977 579 T CB 1.474 70.327 68.868 -0.026 0.000 0.979 579 T HN 0.610 nan 8.240 nan 0.000 0.446 580 E N 1.724 121.984 120.200 0.100 0.000 2.460 580 E HA 0.805 5.154 4.350 -0.001 0.000 0.277 580 E C -1.444 175.389 176.600 0.388 0.000 1.010 580 E CA -1.236 55.311 56.400 0.245 0.000 0.838 580 E CB 1.640 31.428 29.700 0.146 0.000 1.448 580 E HN 0.656 nan 8.360 nan 0.000 0.462 581 F N -1.580 118.395 119.950 0.040 0.000 2.678 581 F HA 0.748 5.275 4.527 -0.001 0.000 0.308 581 F C -1.392 174.518 175.800 0.183 0.000 1.118 581 F CA -2.004 56.034 58.000 0.065 0.000 0.959 581 F CB 0.483 39.552 39.000 0.114 0.000 1.305 581 F HN 0.727 nan 8.300 nan 0.000 0.443 582 C N 1.776 121.107 119.300 0.051 0.000 2.561 582 C HA 0.908 5.367 4.460 -0.001 0.000 0.319 582 C C -0.178 174.856 174.990 0.074 0.000 1.198 582 C CA -0.994 58.029 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 0.812 nan 8.230 nan 0.000 0.493 583 I N 1.355 121.983 120.570 0.096 0.000 2.603 583 I HA 0.348 4.517 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 -0.617 60.703 61.300 0.034 0.000 1.098 583 I CB 1.407 39.355 38.000 -0.087 0.000 1.279 583 I HN 0.506 nan 8.210 nan 0.000 0.437 584 L N 5.489 126.709 121.223 -0.004 0.000 2.536 584 L HA 0.242 4.582 4.340 -0.001 0.000 0.242 584 L C 0.416 177.357 176.870 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 40.843 42.059 0.073 0.000 1.449 584 L HN 0.584 nan 8.230 nan 0.000 0.405 585 H N 0.390 119.592 119.070 0.220 0.000 2.765 585 H HA -0.117 4.439 4.556 -0.001 0.000 0.385 585 H C 0.933 176.376 175.328 0.192 0.000 1.562 585 H CA 0.595 56.806 56.048 0.272 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 -1.088 119.288 120.300 0.127 0.000 2.395 586 Y HA 0.213 4.762 4.550 -0.000 0.000 0.293 586 Y C 1.829 177.637 175.900 -0.153 0.000 1.123 586 Y CA 0.669 58.764 58.100 -0.008 0.000 1.227 586 Y CB -0.603 37.839 38.460 -0.030 0.000 1.012 586 Y HN 0.411 nan 8.280 nan 0.000 0.552 587 A N 0.084 122.166 122.820 -1.229 0.000 2.238 587 A HA 0.644 4.964 4.320 -0.001 0.000 0.210 587 A C 1.358 178.472 177.584 -0.782 0.000 1.179 587 A CA 0.674 51.721 52.037 -1.650 0.000 0.827 587 A CB -0.761 16.372 19.000 -3.112 0.000 0.856 587 A HN 0.859 nan 8.150 nan 0.000 0.488 588 G N -0.784 107.882 108.800 -0.223 0.000 2.302 588 G HA2 0.287 4.246 3.960 -0.001 0.000 0.264 588 G HA3 0.287 4.246 3.960 -0.001 0.000 0.264 588 G C -1.339 173.712 174.900 0.250 0.000 1.335 588 G CA -0.237 44.916 45.100 0.088 0.000 0.982 588 G HN 0.341 nan 8.290 nan 0.000 0.473 589 K N -0.038 120.488 120.400 0.211 0.000 2.324 589 K HA 0.714 5.034 4.320 -0.001 0.000 0.253 589 K C -1.233 175.430 176.600 0.104 0.000 0.932 589 K CA -0.557 55.813 56.287 0.138 0.000 0.799 589 K CB 1.982 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 2.095 122.017 119.914 0.014 0.000 2.569 590 V HA 0.267 4.386 4.120 -0.001 0.000 0.301 590 V C -0.332 175.531 176.094 -0.386 0.000 1.044 590 V CA -0.990 61.172 62.300 -0.231 0.000 0.874 590 V CB 1.611 33.162 31.823 -0.453 0.000 1.002 590 V HN 0.795 nan 8.190 nan 0.000 0.424 591 T N 4.315 118.702 114.554 -0.279 0.000 3.414 591 T HA 0.407 4.757 4.350 -0.001 0.000 0.304 591 T C -0.215 174.365 174.700 -0.201 0.000 1.241 591 T CA -0.058 61.933 62.100 -0.182 0.000 1.076 591 T CB -0.908 67.917 68.868 -0.071 0.000 1.134 591 T HN 0.435 nan 8.240 nan 0.000 0.759 592 Y N 1.696 121.865 120.300 -0.217 0.000 2.379 592 Y HA 0.151 4.700 4.550 -0.000 0.000 0.337 592 Y C 1.235 177.136 175.900 0.002 0.000 1.238 592 Y CA -0.851 57.200 58.100 -0.082 0.000 1.405 592 Y CB 0.470 38.873 38.460 -0.095 0.000 1.310 592 Y HN 0.461 nan 8.280 nan 0.000 0.569 593 N N 1.519 120.404 118.700 0.308 0.000 2.621 593 N HA 0.279 5.018 4.740 -0.001 0.000 0.237 593 N C 0.218 175.742 175.510 0.024 0.000 0.997 593 N CA -0.095 53.067 53.050 0.186 0.000 0.918 593 N CB 0.988 39.579 38.487 0.173 0.000 1.122 593 N HN 0.881 nan 8.380 nan 0.000 0.510 594 A N 2.601 125.223 122.820 -0.329 0.000 2.245 594 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 594 A C 1.152 178.452 177.584 -0.475 0.000 1.171 594 A CA 0.568 51.924 52.037 -1.135 0.000 0.688 594 A CB -0.423 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 -0.368 115.294 115.700 -0.064 0.000 2.596 595 S HA 0.302 4.772 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 0.649 58.912 58.200 0.104 0.000 1.083 595 S CB -0.172 63.099 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 4.163 4.320 -0.001 0.000 0.260 596 A C 0.871 178.628 177.584 0.287 0.000 1.398 596 A CA 1.303 53.478 52.037 0.231 0.000 0.840 596 A CB -2.630 16.511 19.000 0.236 0.000 1.059 596 A HN 0.972 nan 8.150 nan 0.000 0.647 597 W N -0.286 120.973 121.300 -0.068 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 -0.379 0.000 1.183 597 W CA 2.010 59.204 57.345 -0.252 0.000 1.327 597 W CB -1.107 28.146 29.460 -0.345 0.000 1.163 597 W HN 0.610 nan 8.180 nan 0.000 0.479 598 L N -0.767 120.386 121.223 -0.117 0.000 2.353 598 L HA -0.068 4.272 4.340 -0.001 0.000 0.220 598 L C 1.703 178.505 176.870 -0.112 0.000 1.133 598 L CA 1.804 56.519 54.840 -0.208 0.000 0.798 598 L CB -2.235 39.717 42.059 -0.179 0.000 0.922 598 L HN -0.185 nan 8.230 nan 0.000 0.445 599 T N -0.375 114.174 114.554 -0.008 0.000 2.962 599 T HA -0.070 4.280 4.350 -0.001 0.000 0.270 599 T C 1.629 176.392 174.700 0.104 0.000 1.088 599 T CA 1.560 63.709 62.100 0.081 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 0.235 120.641 120.400 0.010 0.000 2.435 600 K HA 0.227 4.547 4.320 -0.001 0.000 0.199 600 K C 1.856 178.425 176.600 -0.052 0.000 1.153 600 K CA -0.146 56.147 56.287 0.010 0.000 0.974 600 K CB 0.058 32.577 32.500 0.032 0.000 0.997 600 K HN -0.070 nan 8.250 nan 0.000 0.547 601 N N 1.380 119.976 118.700 -0.173 0.000 2.430 601 N HA -0.139 4.600 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 1.299 54.230 53.050 -0.197 0.000 0.893 601 N CB 0.160 38.432 38.487 -0.359 0.000 0.957 601 N HN 0.169 nan 8.380 nan 0.000 0.442 602 M N -0.522 118.977 119.600 -0.170 0.000 2.461 602 M HA 0.097 4.576 4.480 -0.001 0.000 0.255 602 M C -0.552 175.697 176.300 -0.085 0.000 1.137 602 M CA 0.281 55.454 55.300 -0.212 0.000 1.086 602 M CB 0.442 32.851 32.600 -0.319 0.000 1.356 602 M HN -0.086 nan 8.290 nan 0.000 0.487 603 D N 0.907 121.295 120.400 -0.020 0.000 2.718 603 D HA -0.100 4.539 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 0.260 54.279 54.000 0.032 0.000 0.690 603 D CB -0.419 40.401 40.800 0.034 0.000 1.059 603 D HN 0.206 nan 8.370 nan 0.000 0.429 604 P HA 0.311 nan 4.420 nan 0.000 0.267 604 P C -0.053 177.364 177.300 0.194 0.000 1.200 604 P CA -0.040 63.152 63.100 0.154 0.000 0.772 604 P CB 0.721 32.560 31.700 0.232 0.000 0.855 605 L N -0.803 120.518 121.223 0.165 0.000 2.781 605 L HA 0.372 4.712 4.340 -0.001 0.000 0.256 605 L C -0.811 176.132 176.870 0.123 0.000 0.930 605 L CA -0.870 54.067 54.840 0.161 0.000 0.967 605 L CB 1.380 43.526 42.059 0.144 0.000 1.551 605 L HN 0.139 nan 8.230 nan 0.000 0.445 606 N N 3.110 121.884 118.700 0.124 0.000 2.383 606 N HA -0.078 4.662 4.740 -0.001 0.000 0.295 606 N C 0.265 175.802 175.510 0.046 0.000 1.281 606 N CA 0.698 53.800 53.050 0.086 0.000 1.048 606 N CB 0.402 38.951 38.487 0.104 0.000 1.455 606 N HN 0.893 nan 8.380 nan 0.000 0.488 607 D N 2.164 122.586 120.400 0.036 0.000 2.371 607 D HA -0.146 4.494 4.640 -0.001 0.000 0.221 607 D C 1.069 177.357 176.300 -0.019 0.000 0.986 607 D CA 0.371 54.376 54.000 0.008 0.000 0.899 607 D CB -0.301 40.513 40.800 0.023 0.000 0.902 607 D HN 0.476 nan 8.370 nan 0.000 0.530 608 N N 0.344 119.042 118.700 -0.002 0.000 2.025 608 N HA -0.163 4.577 4.740 -0.001 0.000 0.194 608 N C 1.859 177.356 175.510 -0.021 0.000 1.044 608 N CA 1.661 54.708 53.050 -0.004 0.000 0.851 608 N CB 0.050 38.544 38.487 0.013 0.000 1.036 608 N HN 0.107 nan 8.380 nan 0.000 0.422 609 V N 0.930 120.838 119.914 -0.010 0.000 2.548 609 V HA -0.139 3.981 4.120 -0.001 0.000 0.249 609 V C 2.088 178.029 176.094 -0.254 0.000 1.055 609 V CA 1.778 64.043 62.300 -0.058 0.000 1.065 609 V CB -0.690 31.154 31.823 0.035 0.000 0.681 609 V HN 0.314 nan 8.190 nan 0.000 0.462 610 T N 1.009 115.402 114.554 -0.268 0.000 2.592 610 T HA -0.223 4.127 4.350 -0.001 0.000 0.267 610 T C 1.858 176.367 174.700 -0.319 0.000 1.060 610 T CA 2.540 64.400 62.100 -0.399 0.000 1.167 610 T CB -0.421 68.349 68.868 -0.164 0.000 0.863 610 T HN 0.691 nan 8.240 nan 0.000 0.431 611 S N 1.080 116.684 115.700 -0.160 0.000 2.522 611 S HA 0.099 4.569 4.470 -0.001 0.000 0.227 611 S C 1.824 176.351 174.600 -0.122 0.000 0.986 611 S CA 0.277 58.412 58.200 -0.108 0.000 0.929 611 S CB -0.264 62.903 63.200 -0.056 0.000 0.769 611 S HN 0.426 nan 8.310 nan 0.000 0.529 612 L N 0.561 121.692 121.223 -0.154 0.000 2.313 612 L HA 0.232 4.572 4.340 -0.001 0.000 0.214 612 L C 1.761 178.517 176.870 -0.189 0.000 1.119 612 L CA 1.201 55.963 54.840 -0.130 0.000 0.809 612 L CB -0.138 41.864 42.059 -0.095 0.000 0.933 612 L HN 0.226 nan 8.230 nan 0.000 0.449 613 L N -0.386 120.649 121.223 -0.314 0.000 2.145 613 L HA -0.070 4.270 4.340 -0.001 0.000 0.201 613 L C 2.216 178.950 176.870 -0.227 0.000 1.075 613 L CA 1.264 55.867 54.840 -0.395 0.000 0.773 613 L CB -0.422 41.114 42.059 -0.872 0.000 0.936 613 L HN 0.397 nan 8.230 nan 0.000 0.451 614 N N 0.022 118.613 118.700 -0.181 0.000 2.242 614 N HA -0.283 4.457 4.740 -0.001 0.000 0.191 614 N C 1.080 176.572 175.510 -0.029 0.000 1.005 614 N CA 1.257 54.283 53.050 -0.040 0.000 0.877 614 N CB 0.137 38.611 38.487 -0.022 0.000 0.983 614 N HN 0.267 nan 8.380 nan 0.000 0.439 615 Q N -0.171 119.595 119.800 -0.057 0.000 2.324 615 Q HA 0.210 4.550 4.340 -0.001 0.000 0.373 615 Q C -1.169 174.804 176.000 -0.046 0.000 0.909 615 Q CA -0.462 55.318 55.803 -0.037 0.000 1.135 615 Q CB 0.861 29.579 28.738 -0.034 0.000 1.313 615 Q HN 0.260 nan 8.270 nan 0.000 0.417 616 S N -1.385 114.285 115.700 -0.050 0.000 2.672 616 S HA 0.268 4.738 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 0.079 58.248 58.200 -0.051 0.000 1.002 616 S CB 1.600 64.754 63.200 -0.076 0.000 0.998 616 S HN 0.380 nan 8.310 nan 0.000 0.542 617 S N 0.929 116.620 115.700 -0.015 0.000 2.406 617 S HA -0.075 4.395 4.470 -0.001 0.000 0.228 617 S C 0.671 175.286 174.600 0.025 0.000 1.020 617 S CA 0.871 59.072 58.200 0.002 0.000 0.965 617 S CB -0.676 62.520 63.200 -0.007 0.000 0.798 617 S HN 0.804 nan 8.310 nan 0.000 0.488 618 D N 2.503 122.923 120.400 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 0.080 54.123 54.000 0.072 0.000 1.097 618 D CB 0.127 40.978 40.800 0.084 0.000 1.109 618 D HN 0.312 nan 8.370 nan 0.000 0.510 619 K N 2.856 123.310 120.400 0.091 0.000 2.071 619 K HA -0.266 4.053 4.320 -0.001 0.000 0.217 619 K C 1.773 178.451 176.600 0.131 0.000 1.054 619 K CA 1.228 57.573 56.287 0.097 0.000 0.937 619 K CB -0.392 32.167 32.500 0.098 0.000 0.719 619 K HN 0.424 nan 8.250 nan 0.000 0.454 620 F N 1.406 121.352 119.950 -0.006 0.000 2.087 620 F HA -0.243 4.283 4.527 -0.000 0.000 0.299 620 F C 2.051 177.824 175.800 -0.046 0.000 1.100 620 F CA 1.634 59.603 58.000 -0.052 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 -0.029 119.880 119.914 -0.007 0.000 2.871 621 V HA -0.108 4.011 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 1.170 63.469 62.300 -0.002 0.000 1.105 621 V CB -1.306 30.581 31.823 0.108 0.000 0.713 621 V HN 0.469 nan 8.190 nan 0.000 0.473 622 A N 0.419 123.279 122.820 0.067 0.000 1.897 622 A HA -0.153 4.166 4.320 -0.001 0.000 0.215 622 A C 1.898 179.522 177.584 0.066 0.000 1.181 622 A CA 1.689 53.770 52.037 0.072 0.000 0.620 622 A CB -0.455 18.572 19.000 0.046 0.000 0.821 622 A HN 0.503 nan 8.150 nan 0.000 0.443 623 D N -0.338 120.074 120.400 0.020 0.000 2.269 623 D HA -0.034 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 0.480 54.486 54.000 0.009 0.000 0.864 623 D CB -0.224 40.607 40.800 0.051 0.000 0.936 623 D HN 0.342 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 1.115 177.823 176.870 -0.269 0.000 1.072 624 L CA 1.334 55.995 54.840 -0.297 0.000 0.744 624 L CB -0.071 41.701 42.059 -0.479 0.000 0.895 624 L HN 0.123 nan 8.230 nan 0.000 0.433 625 W N -1.289 119.938 121.300 -0.122 0.000 3.123 625 W HA 0.218 4.877 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 -0.320 56.973 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 0.010 nan 8.180 nan 0.000 0.621 626 K N 1.485 121.957 120.400 0.121 0.000 2.127 626 K HA -0.207 4.113 4.320 -0.001 0.000 0.208 626 K C -0.430 176.197 176.600 0.046 0.000 1.047 626 K CA 1.941 58.267 56.287 0.065 0.000 0.927 626 K CB -0.242 32.274 32.500 0.028 0.000 0.716 626 K HN 0.041 nan 8.250 nan 0.000 0.450 627 D N 0.726 121.145 120.400 0.032 0.000 2.493 627 D HA 0.083 4.722 4.640 -0.001 0.000 0.235 627 D C -1.111 175.210 176.300 0.035 0.000 1.117 627 D CA -0.232 53.776 54.000 0.014 0.000 0.930 627 D CB 1.842 42.633 40.800 -0.014 0.000 1.010 627 D HN 0.080 nan 8.370 nan 0.000 0.514 628 V N 1.010 120.957 119.914 0.056 0.000 2.737 628 V HA 0.219 4.338 4.120 -0.001 0.000 0.320 628 V C -0.397 175.720 176.094 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 32.276 31.823 0.136 0.000 1.558 628 V HN 0.185 nan 8.190 nan 0.000 0.618 629 D N 1.040 121.443 120.400 0.005 0.000 2.388 629 D HA 0.296 4.935 4.640 -0.001 0.000 0.221 629 D C 1.509 177.780 176.300 -0.049 0.000 1.133 629 D CA 0.137 54.121 54.000 -0.027 0.000 0.831 629 D CB 0.371 41.142 40.800 -0.048 0.000 0.962 629 D HN 0.395 nan 8.370 nan 0.000 0.502 630 R N 0.093 120.586 120.500 -0.012 0.000 2.487 630 R HA 0.145 4.485 4.340 -0.001 0.000 0.272 630 R C 0.299 176.628 176.300 0.047 0.000 0.928 630 R CA -0.288 55.810 56.100 -0.004 0.000 1.077 630 R CB 0.947 31.258 30.300 0.019 0.000 1.265 630 R HN 0.055 nan 8.270 nan 0.000 0.537 631 I N 2.160 122.766 120.570 0.060 0.000 3.161 631 I HA -0.055 4.114 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 0.297 61.646 61.300 0.082 0.000 1.374 631 I CB 0.333 38.389 38.000 0.093 0.000 1.359 631 I HN -0.263 nan 8.210 nan 0.000 0.606 632 V N 3.143 123.101 119.914 0.074 0.000 2.407 632 V HA 0.590 4.710 4.120 -0.001 0.000 0.278 632 V C 0.880 177.007 176.094 0.055 0.000 1.037 632 V CA -0.221 62.117 62.300 0.064 0.000 0.900 632 V CB 0.793 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 4.184 3.960 -0.001 0.000 0.213 633 G HA3 0.224 4.184 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 -0.076 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 0.817 121.455 120.500 0.230 0.000 2.664 657 R HA 0.522 4.862 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 31.830 30.300 -0.017 0.000 1.146 657 R HN 0.319 nan 8.270 nan 0.000 0.468 658 T N 1.702 116.355 114.554 0.164 0.000 2.869 658 T HA 0.105 4.454 4.350 -0.001 0.000 0.295 658 T C 1.405 176.168 174.700 0.104 0.000 0.987 658 T CA -0.349 61.814 62.100 0.105 0.000 1.109 658 T CB 0.709 69.659 68.868 0.136 0.000 0.932 658 T HN 0.304 nan 8.240 nan 0.000 0.518 659 V N 5.551 125.518 119.914 0.089 0.000 2.250 659 V HA -0.190 3.929 4.120 -0.001 0.000 0.253 659 V C 2.611 178.824 176.094 0.199 0.000 1.065 659 V CA 2.808 65.189 62.300 0.136 0.000 1.039 659 V CB -1.274 30.641 31.823 0.152 0.000 0.647 659 V HN 1.116 nan 8.190 nan 0.000 0.446 660 G N -1.442 107.491 108.800 0.222 0.000 2.631 660 G HA2 -0.449 3.511 3.960 -0.001 0.000 0.219 660 G HA3 -0.449 3.511 3.960 -0.001 0.000 0.219 660 G C 1.469 176.492 174.900 0.206 0.000 1.214 660 G CA 1.447 46.701 45.100 0.257 0.000 0.785 660 G HN 0.552 nan 8.290 nan 0.000 0.596 661 Q N -0.429 119.456 119.800 0.141 0.000 2.172 661 Q HA 0.102 4.442 4.340 -0.001 0.000 0.200 661 Q C 2.359 178.420 176.000 0.101 0.000 0.964 661 Q CA 0.841 56.701 55.803 0.095 0.000 0.855 661 Q CB -0.396 28.382 28.738 0.068 0.000 0.918 661 Q HN 0.376 nan 8.270 nan 0.000 0.444 662 L N -0.203 121.097 121.223 0.129 0.000 2.079 662 L HA -0.160 4.179 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 1.767 56.685 54.840 0.130 0.000 0.752 662 L CB -0.782 41.357 42.059 0.132 0.000 0.896 662 L HN 0.418 nan 8.230 nan 0.000 0.433 663 Y N 0.603 120.955 120.300 0.086 0.000 2.109 663 Y HA -0.195 4.355 4.550 -0.000 0.000 0.281 663 Y C 2.508 178.478 175.900 0.116 0.000 1.113 663 Y CA 1.926 60.090 58.100 0.108 0.000 1.098 663 Y CB -0.772 37.751 38.460 0.104 0.000 0.996 663 Y HN 0.096 nan 8.280 nan 0.000 0.485 664 K N 1.138 121.444 120.400 -0.155 0.000 2.520 664 K HA -0.249 4.071 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 1.695 57.847 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 -0.098 120.086 120.200 -0.027 0.000 2.400 665 E HA -0.115 4.235 4.350 -0.001 0.000 0.195 665 E C 1.806 178.407 176.600 0.001 0.000 1.012 665 E CA 0.254 56.651 56.400 -0.005 0.000 0.875 665 E CB 0.288 30.001 29.700 0.022 0.000 0.859 665 E HN 0.500 nan 8.360 nan 0.000 0.498 666 Q N -0.237 119.578 119.800 0.023 0.000 2.431 666 Q HA 0.030 4.370 4.340 -0.001 0.000 0.244 666 Q C 1.656 177.679 176.000 0.039 0.000 0.880 666 Q CA 0.005 55.853 55.803 0.074 0.000 0.954 666 Q CB 0.058 28.904 28.738 0.179 0.000 1.105 666 Q HN 0.226 nan 8.270 nan 0.000 0.558 667 L N 1.801 122.962 121.223 -0.103 0.000 2.650 667 L HA 0.116 4.456 4.340 -0.001 0.000 0.235 667 L C 1.054 177.794 176.870 -0.216 0.000 1.149 667 L CA 1.360 56.045 54.840 -0.259 0.000 0.887 667 L CB 0.138 41.769 42.059 -0.714 0.000 1.021 667 L HN 0.450 nan 8.230 nan 0.000 0.441 668 T N -5.166 109.307 114.554 -0.135 0.000 3.000 668 T HA 0.032 4.381 4.350 -0.001 0.000 0.248 668 T C 1.808 176.458 174.700 -0.083 0.000 1.034 668 T CA 0.065 62.104 62.100 -0.101 0.000 1.060 668 T CB 0.046 68.873 68.868 -0.070 0.000 0.983 668 T HN 0.127 nan 8.240 nan 0.000 0.482 669 K N 0.520 120.879 120.400 -0.068 0.000 2.002 669 K HA -0.009 4.311 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 0.928 57.175 56.287 -0.067 0.000 0.930 669 K CB -0.385 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 1.267 122.408 121.223 -0.137 0.000 1.952 670 L HA -0.262 4.078 4.340 -0.001 0.000 0.231 670 L C 2.219 178.993 176.870 -0.161 0.000 1.088 670 L CA 1.977 56.682 54.840 -0.224 0.000 0.802 670 L CB -0.719 41.180 42.059 -0.267 0.000 0.903 670 L HN 0.277 nan 8.230 nan 0.000 0.439 671 M N -1.178 118.344 119.600 -0.130 0.000 2.617 671 M HA -0.187 4.293 4.480 -0.001 0.000 0.258 671 M C 1.675 177.942 176.300 -0.056 0.000 1.067 671 M CA 1.519 56.769 55.300 -0.084 0.000 1.057 671 M CB -0.458 32.085 32.600 -0.094 0.000 1.397 671 M HN 0.370 nan 8.290 nan 0.000 0.499 672 T N -1.939 112.578 114.554 -0.062 0.000 2.939 672 T HA -0.050 4.300 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 68.717 68.868 -0.044 0.000 0.874 672 T HN 0.559 nan 8.240 nan 0.000 0.452 673 T N 1.686 116.222 114.554 -0.030 0.000 2.937 673 T HA 0.110 4.459 4.350 -0.001 0.000 0.260 673 T C 2.041 176.791 174.700 0.082 0.000 1.051 673 T CA 0.390 62.505 62.100 0.026 0.000 1.141 673 T CB -0.471 68.393 68.868 -0.007 0.000 0.879 673 T HN 0.197 nan 8.240 nan 0.000 0.459 674 L N 0.278 121.531 121.223 0.050 0.000 1.990 674 L HA -0.075 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 1.907 56.792 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 -0.020 120.495 120.500 0.024 0.000 2.293 675 R HA -0.094 4.246 4.340 -0.001 0.000 0.219 675 R C 1.463 177.775 176.300 0.019 0.000 1.091 675 R CA 0.644 56.757 56.100 0.022 0.000 1.004 675 R CB -0.143 30.172 30.300 0.025 0.000 0.865 675 R HN 0.382 nan 8.270 nan 0.000 0.469 676 N N -0.341 118.380 118.700 0.036 0.000 2.236 676 N HA -0.015 4.725 4.740 -0.001 0.000 0.196 676 N C 0.088 175.628 175.510 0.049 0.000 1.114 676 N CA 0.563 53.640 53.050 0.045 0.000 0.859 676 N CB 0.853 39.379 38.487 0.064 0.000 0.982 676 N HN 0.266 nan 8.380 nan 0.000 0.493 677 T N -2.783 111.789 114.554 0.031 0.000 2.762 677 T HA 0.350 4.700 4.350 -0.001 0.000 0.272 677 T C -0.472 174.190 174.700 -0.063 0.000 0.982 677 T CA -0.825 61.259 62.100 -0.026 0.000 1.013 677 T CB 1.697 70.549 68.868 -0.027 0.000 1.309 677 T HN -0.100 nan 8.240 nan 0.000 0.572 678 N N 2.122 120.758 118.700 -0.106 0.000 2.469 678 N HA 0.405 5.145 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 1.365 39.790 38.487 -0.104 0.000 1.128 678 N HN 0.415 nan 8.380 nan 0.000 0.503 679 P HA 0.063 nan 4.420 nan 0.000 0.271 679 P C -1.402 175.678 177.300 -0.367 0.000 1.218 679 P CA -0.033 62.846 63.100 -0.368 0.000 0.780 679 P CB 0.764 32.186 31.700 -0.464 0.000 0.901 680 N N 2.375 120.793 118.700 -0.470 0.000 2.653 680 N HA 0.201 4.941 4.740 -0.001 0.000 0.261 680 N C -1.011 174.342 175.510 -0.262 0.000 1.216 680 N CA -0.259 52.641 53.050 -0.251 0.000 0.784 680 N CB 0.543 38.941 38.487 -0.149 0.000 1.327 680 N HN 0.258 nan 8.380 nan 0.000 0.539 681 F N 0.728 120.720 119.950 0.070 0.000 2.412 681 F HA 0.248 4.775 4.527 -0.001 0.000 0.348 681 F C 1.031 176.859 175.800 0.046 0.000 1.102 681 F CA -0.531 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 4.789 124.805 119.914 0.171 0.000 2.266 682 V HA 0.266 4.385 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 0.422 32.237 31.823 -0.013 0.000 1.081 682 V HN 0.618 nan 8.190 nan 0.000 0.449 683 R N 2.133 122.651 120.500 0.030 0.000 2.853 683 R HA 0.170 4.509 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 -0.201 55.870 56.100 -0.048 0.000 1.166 683 R CB -0.278 29.999 30.300 -0.039 0.000 1.201 683 R HN 0.626 nan 8.270 nan 0.000 0.606 684 C N 3.544 122.767 119.300 -0.128 0.000 2.632 684 C HA 0.390 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 -0.795 58.113 59.018 -0.183 0.000 1.874 684 C CB -0.568 27.064 27.740 -0.181 0.000 2.596 684 C HN 0.624 nan 8.230 nan 0.000 0.590 685 I N 4.249 124.690 120.570 -0.216 0.000 2.418 685 I HA 0.275 4.445 4.170 -0.001 0.000 0.287 685 I C 0.121 176.078 176.117 -0.266 0.000 1.008 685 I CA -0.474 60.697 61.300 -0.214 0.000 1.104 685 I CB 1.183 39.058 38.000 -0.207 0.000 1.264 685 I HN 0.572 nan 8.210 nan 0.000 0.438 686 I N 9.309 129.737 120.570 -0.237 0.000 2.692 686 I HA 0.081 4.251 4.170 -0.001 0.000 0.284 686 I C -1.317 174.634 176.117 -0.277 0.000 1.159 686 I CA -1.218 59.926 61.300 -0.260 0.000 1.423 686 I CB 1.678 39.547 38.000 -0.218 0.000 1.380 686 I HN 0.411 nan 8.210 nan 0.000 0.580 687 P HA 0.015 nan 4.420 nan 0.000 0.216 687 P C -0.850 176.366 177.300 -0.140 0.000 1.151 687 P CA 0.771 63.715 63.100 -0.262 0.000 0.863 687 P CB 0.416 31.957 31.700 -0.266 0.000 0.790 688 N N -3.077 115.581 118.700 -0.070 0.000 2.823 688 N HA 0.151 4.890 4.740 -0.001 0.000 0.251 688 N C -0.529 174.922 175.510 -0.100 0.000 1.392 688 N CA -0.758 52.246 53.050 -0.077 0.000 0.864 688 N CB -0.171 38.332 38.487 0.027 0.000 1.481 688 N HN -0.239 nan 8.380 nan 0.000 0.508 689 H N -1.134 117.955 119.070 0.032 0.000 2.526 689 H HA 0.249 4.804 4.556 -0.001 0.000 0.274 689 H C 0.236 175.552 175.328 -0.020 0.000 0.999 689 H CA -0.025 56.027 56.048 0.008 0.000 1.157 689 H CB 0.538 30.294 29.762 -0.010 0.000 1.407 689 H HN 0.570 nan 8.280 nan 0.000 0.568 690 E N 0.759 120.993 120.200 0.056 0.000 2.478 690 E HA -0.040 4.309 4.350 -0.001 0.000 0.194 690 E C 0.401 176.937 176.600 -0.105 0.000 1.045 690 E CA 0.091 56.487 56.400 -0.007 0.000 0.868 690 E CB 0.352 30.049 29.700 -0.004 0.000 0.885 690 E HN 0.295 nan 8.360 nan 0.000 0.505 691 K N 0.401 120.687 120.400 -0.190 0.000 3.274 691 K HA -0.189 4.130 4.320 -0.001 0.000 0.300 691 K C -0.151 176.067 176.600 -0.637 0.000 1.230 691 K CA 0.605 56.597 56.287 -0.491 0.000 0.884 691 K CB -0.673 31.672 32.500 -0.258 0.000 1.242 691 K HN 0.087 nan 8.250 nan 0.000 0.467 692 R N 0.003 120.271 120.500 -0.387 0.000 2.393 692 R HA 0.492 4.831 4.340 -0.001 0.000 0.310 692 R C 0.149 176.366 176.300 -0.138 0.000 0.968 692 R CA 0.125 56.086 56.100 -0.231 0.000 0.867 692 R CB 1.608 31.857 30.300 -0.084 0.000 1.124 692 R HN 0.199 nan 8.270 nan 0.000 0.450 693 A N 0.853 123.639 122.820 -0.057 0.000 2.259 693 A HA 0.529 4.848 4.320 -0.001 0.000 0.278 693 A C 1.135 178.776 177.584 0.095 0.000 1.107 693 A CA 0.478 52.581 52.037 0.110 0.000 0.828 693 A CB 0.109 19.183 19.000 0.123 0.000 1.111 693 A HN 0.872 nan 8.150 nan 0.000 0.498 694 G N -0.903 107.941 108.800 0.073 0.000 2.257 694 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.267 694 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.267 694 G C 0.411 175.446 174.900 0.226 0.000 0.984 694 G CA 1.144 46.291 45.100 0.078 0.000 0.626 694 G HN 1.020 nan 8.290 nan 0.000 0.540 695 K N -0.017 120.502 120.400 0.198 0.000 2.159 695 K HA 0.726 5.046 4.320 -0.001 0.000 0.266 695 K C -1.008 175.722 176.600 0.217 0.000 0.975 695 K CA -1.005 55.426 56.287 0.239 0.000 0.865 695 K CB 1.133 33.723 32.500 0.149 0.000 1.087 695 K HN 0.371 nan 8.250 nan 0.000 0.446 696 L N 4.383 125.748 121.223 0.235 0.000 2.427 696 L HA 0.274 4.614 4.340 -0.001 0.000 0.264 696 L C -0.912 176.010 176.870 0.085 0.000 0.989 696 L CA -0.559 54.335 54.840 0.091 0.000 0.865 696 L CB 1.363 43.417 42.059 -0.009 0.000 1.209 696 L HN 0.719 nan 8.230 nan 0.000 0.430 697 D N 3.428 123.841 120.400 0.022 0.000 2.487 697 D HA 0.110 4.750 4.640 -0.001 0.000 0.243 697 D C 0.820 177.120 176.300 -0.000 0.000 1.154 697 D CA 0.867 54.882 54.000 0.025 0.000 0.876 697 D CB 1.950 42.755 40.800 0.008 0.000 1.161 697 D HN 0.747 nan 8.370 nan 0.000 0.478 698 A N 4.895 127.712 122.820 -0.004 0.000 1.904 698 A HA -0.216 4.104 4.320 -0.001 0.000 0.207 698 A C 1.778 179.291 177.584 -0.118 0.000 1.231 698 A CA 1.700 53.675 52.037 -0.103 0.000 0.655 698 A CB -1.098 17.759 19.000 -0.239 0.000 0.875 698 A HN 0.858 nan 8.150 nan 0.000 0.478 699 H N -0.342 118.714 119.070 -0.024 0.000 2.289 699 H HA -0.184 4.372 4.556 -0.001 0.000 0.294 699 H C 1.982 177.296 175.328 -0.025 0.000 1.095 699 H CA 1.900 57.926 56.048 -0.038 0.000 1.256 699 H CB -0.544 29.192 29.762 -0.044 0.000 1.359 699 H HN 0.465 nan 8.280 nan 0.000 0.487 700 L N 0.199 121.491 121.223 0.115 0.000 2.010 700 L HA -0.262 4.077 4.340 -0.001 0.000 0.219 700 L C 2.177 179.036 176.870 -0.019 0.000 1.077 700 L CA 1.678 56.543 54.840 0.043 0.000 0.773 700 L CB -0.619 41.450 42.059 0.018 0.000 0.892 700 L HN 0.169 nan 8.230 nan 0.000 0.436 701 V N -0.390 119.496 119.914 -0.046 0.000 2.407 701 V HA -0.258 3.862 4.120 -0.001 0.000 0.248 701 V C 2.430 178.494 176.094 -0.050 0.000 1.055 701 V CA 1.772 64.021 62.300 -0.084 0.000 1.049 701 V CB -0.286 31.471 31.823 -0.109 0.000 0.662 701 V HN 0.532 nan 8.190 nan 0.000 0.455 702 L N -0.141 121.074 121.223 -0.013 0.000 2.056 702 L HA -0.094 4.246 4.340 -0.001 0.000 0.207 702 L C 2.433 179.320 176.870 0.028 0.000 1.078 702 L CA 2.001 56.857 54.840 0.026 0.000 0.749 702 L CB -0.705 41.374 42.059 0.033 0.000 0.901 702 L HN 0.242 nan 8.230 nan 0.000 0.433 703 E N -0.503 119.709 120.200 0.020 0.000 2.107 703 E HA -0.201 4.149 4.350 -0.001 0.000 0.191 703 E C 2.102 178.678 176.600 -0.040 0.000 0.982 703 E CA 1.082 57.484 56.400 0.002 0.000 0.809 703 E CB -0.053 29.650 29.700 0.004 0.000 0.756 703 E HN 0.638 nan 8.360 nan 0.000 0.459 704 Q N 0.048 119.812 119.800 -0.059 0.000 2.152 704 Q HA -0.160 4.180 4.340 -0.001 0.000 0.206 704 Q C 2.477 178.426 176.000 -0.085 0.000 0.985 704 Q CA 1.242 56.987 55.803 -0.097 0.000 0.863 704 Q CB -0.142 28.534 28.738 -0.105 0.000 0.904 704 Q HN 0.262 nan 8.270 nan 0.000 0.422 705 L N -0.057 121.135 121.223 -0.052 0.000 2.131 705 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 705 L C 2.424 179.291 176.870 -0.006 0.000 1.092 705 L CA 1.315 56.140 54.840 -0.026 0.000 0.759 705 L CB -0.122 41.933 42.059 -0.006 0.000 0.903 705 L HN 0.101 nan 8.230 nan 0.000 0.435 706 R N -0.792 119.705 120.500 -0.004 0.000 2.075 706 R HA -0.080 4.260 4.340 -0.001 0.000 0.226 706 R C 2.107 178.407 176.300 0.001 0.000 1.114 706 R CA 1.405 57.513 56.100 0.014 0.000 0.972 706 R CB -0.500 29.812 30.300 0.020 0.000 0.869 706 R HN 0.540 nan 8.270 nan 0.000 0.437 707 C N 0.270 119.542 119.300 -0.047 0.000 2.454 707 C HA 0.313 4.773 4.460 -0.001 0.000 0.321 707 C C 0.816 175.769 174.990 -0.063 0.000 1.299 707 C CA -0.522 58.449 59.018 -0.079 0.000 1.683 707 C CB -0.985 26.623 27.740 -0.220 0.000 1.772 707 C HN 0.292 nan 8.230 nan 0.000 0.596 708 N N 0.041 118.704 118.700 -0.061 0.000 2.118 708 N HA 0.174 4.913 4.740 -0.001 0.000 0.226 708 N C 1.183 176.579 175.510 -0.190 0.000 1.305 708 N CA 0.897 53.856 53.050 -0.153 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 1.597 110.403 108.800 0.011 0.000 2.393 709 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.299 709 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.299 709 G C 1.032 176.030 174.900 0.163 0.000 0.990 709 G CA 0.758 45.955 45.100 0.161 0.000 1.118 709 G HN 0.153 nan 8.290 nan 0.000 0.513 710 V N 1.056 121.048 119.914 0.130 0.000 2.231 710 V HA -0.124 3.996 4.120 -0.001 0.000 0.240 710 V C 2.847 179.163 176.094 0.370 0.000 1.039 710 V CA 1.622 64.108 62.300 0.311 0.000 0.998 710 V CB -0.700 31.246 31.823 0.205 0.000 0.639 710 V HN 0.428 nan 8.190 nan 0.000 0.451 711 L N 0.249 121.595 121.223 0.205 0.000 2.034 711 L HA -0.261 4.079 4.340 -0.001 0.000 0.217 711 L C 2.632 179.629 176.870 0.212 0.000 1.077 711 L CA 2.302 57.237 54.840 0.159 0.000 0.769 711 L CB -1.581 40.528 42.059 0.083 0.000 0.890 711 L HN 0.472 nan 8.230 nan 0.000 0.435 712 E N -0.370 119.954 120.200 0.206 0.000 2.110 712 E HA -0.117 4.233 4.350 -0.001 0.000 0.193 712 E C 2.239 178.927 176.600 0.146 0.000 0.988 712 E CA 1.022 57.559 56.400 0.228 0.000 0.804 712 E CB -0.668 29.026 29.700 -0.011 0.000 0.745 712 E HN 0.512 nan 8.360 nan 0.000 0.458 713 G N 0.892 109.901 108.800 0.349 0.000 2.418 713 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.217 713 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.217 713 G C 1.599 176.838 174.900 0.566 0.000 1.158 713 G CA 0.743 46.150 45.100 0.511 0.000 0.771 713 G HN 0.215 nan 8.290 nan 0.000 0.545 714 I N -0.228 120.627 120.570 0.475 0.000 2.394 714 I HA -0.072 4.098 4.170 -0.001 0.000 0.251 714 I C 2.873 179.108 176.117 0.196 0.000 1.136 714 I CA 0.598 62.034 61.300 0.226 0.000 1.425 714 I CB -0.233 37.837 38.000 0.117 0.000 1.079 714 I HN 0.105 nan 8.210 nan 0.000 0.425 715 R N 1.162 121.812 120.500 0.250 0.000 2.070 715 R HA -0.168 4.172 4.340 -0.001 0.000 0.233 715 R C 2.328 178.812 176.300 0.307 0.000 1.137 715 R CA 1.761 58.033 56.100 0.288 0.000 0.945 715 R CB -0.222 30.368 30.300 0.482 0.000 0.845 715 R HN 0.232 nan 8.270 nan 0.000 0.430 716 I N -0.087 120.652 120.570 0.283 0.000 2.286 716 I HA -0.331 3.839 4.170 -0.001 0.000 0.248 716 I C 2.472 178.693 176.117 0.173 0.000 1.115 716 I CA 0.950 62.391 61.300 0.235 0.000 1.392 716 I CB -0.446 37.586 38.000 0.054 0.000 1.065 716 I HN 0.237 nan 8.210 nan 0.000 0.418 717 C N 0.900 120.297 119.300 0.162 0.000 2.413 717 C HA -0.163 4.297 4.460 -0.001 0.000 0.276 717 C C 2.895 177.931 174.990 0.077 0.000 1.236 717 C CA 1.591 60.684 59.018 0.125 0.000 1.735 717 C CB -1.292 26.526 27.740 0.129 0.000 2.031 717 C HN 0.584 nan 8.230 nan 0.000 0.474 718 R N -0.028 120.518 120.500 0.076 0.000 2.265 718 R HA 0.085 4.425 4.340 -0.001 0.000 0.194 718 R C 1.863 178.165 176.300 0.003 0.000 0.931 718 R CA 0.572 56.691 56.100 0.033 0.000 1.032 718 R CB -0.371 29.954 30.300 0.041 0.000 0.980 718 R HN 0.464 nan 8.270 nan 0.000 0.497 719 Q N 0.989 120.828 119.800 0.065 0.000 2.033 719 Q HA 0.105 4.445 4.340 -0.001 0.000 0.196 719 Q C 1.053 177.052 176.000 -0.001 0.000 0.970 719 Q CA 1.592 57.459 55.803 0.105 0.000 0.828 719 Q CB 0.058 28.961 28.738 0.276 0.000 0.895 719 Q HN 0.436 nan 8.270 nan 0.000 0.440 720 G N -0.575 108.165 108.800 -0.100 0.000 2.606 720 G HA2 0.389 4.348 3.960 -0.001 0.000 0.262 720 G HA3 0.389 4.348 3.960 -0.001 0.000 0.262 720 G C -0.909 173.660 174.900 -0.551 0.000 1.394 720 G CA -0.571 44.210 45.100 -0.531 0.000 1.044 720 G HN 0.091 nan 8.290 nan 0.000 0.553 721 F N 0.503 120.377 119.950 -0.127 0.000 2.366 721 F HA 0.344 4.871 4.527 -0.000 0.000 0.328 721 F C -1.599 174.345 175.800 0.240 0.000 1.180 721 F CA -2.409 55.667 58.000 0.127 0.000 1.232 721 F CB 1.756 40.877 39.000 0.201 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 -0.310 177.067 177.300 0.128 0.000 1.288 722 P CA 0.859 64.066 63.100 0.179 0.000 0.751 722 P CB 0.017 31.791 31.700 0.125 0.000 1.103 723 N N 0.672 119.473 118.700 0.169 0.000 2.264 723 N HA 0.333 5.073 4.740 -0.001 0.000 0.288 723 N C -0.603 174.893 175.510 -0.024 0.000 1.094 723 N CA -0.523 52.587 53.050 0.100 0.000 0.817 723 N CB 2.542 41.149 38.487 0.201 0.000 1.604 723 N HN -0.008 nan 8.380 nan 0.000 0.473 724 R N 1.224 121.637 120.500 -0.144 0.000 2.739 724 R HA 0.702 5.042 4.340 -0.001 0.000 0.271 724 R C -1.291 174.964 176.300 -0.075 0.000 1.010 724 R CA -0.843 55.050 56.100 -0.345 0.000 0.897 724 R CB 1.873 31.615 30.300 -0.930 0.000 1.236 724 R HN 0.522 nan 8.270 nan 0.000 0.466 725 I N 1.104 121.680 120.570 0.011 0.000 2.715 725 I HA 0.146 4.316 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 2.219 40.373 38.000 0.256 0.000 1.339 725 I HN 0.581 nan 8.210 nan 0.000 0.425 726 V N 8.278 128.235 119.914 0.072 0.000 2.763 726 V HA 0.032 4.152 4.120 -0.001 0.000 0.306 726 V C 0.909 177.148 176.094 0.241 0.000 1.059 726 V CA 0.514 62.836 62.300 0.037 0.000 1.138 726 V CB 0.599 32.407 31.823 -0.024 0.000 0.940 726 V HN 0.759 nan 8.190 nan 0.000 0.489 727 F N 3.495 123.488 119.950 0.072 0.000 2.052 727 F HA -0.286 4.241 4.527 -0.000 0.000 0.297 727 F C 2.368 178.250 175.800 0.136 0.000 1.166 727 F CA 2.507 60.569 58.000 0.103 0.000 1.218 727 F CB -1.799 37.240 39.000 0.066 0.000 0.943 727 F HN 0.775 nan 8.300 nan 0.000 0.521 728 Q N 0.538 120.526 119.800 0.314 0.000 2.094 728 Q HA -0.329 4.011 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 2.698 58.600 55.803 0.165 0.000 0.911 728 Q CB -0.878 27.919 28.738 0.099 0.000 1.038 728 Q HN 0.384 nan 8.270 nan 0.000 0.422 729 E N -0.674 119.577 120.200 0.086 0.000 2.077 729 E HA -0.078 4.271 4.350 -0.001 0.000 0.193 729 E C 1.657 178.220 176.600 -0.061 0.000 0.989 729 E CA 1.189 57.589 56.400 -0.001 0.000 0.800 729 E CB -0.709 28.987 29.700 -0.007 0.000 0.746 729 E HN 0.550 nan 8.360 nan 0.000 0.452 730 F N 1.619 121.518 119.950 -0.084 0.000 2.095 730 F HA -0.238 4.289 4.527 -0.001 0.000 0.298 730 F C 2.293 177.986 175.800 -0.178 0.000 1.104 730 F CA 2.018 59.927 58.000 -0.152 0.000 1.232 730 F CB -0.087 38.969 39.000 0.093 0.000 0.987 730 F HN -0.032 nan 8.300 nan 0.000 0.475 731 R N 0.681 121.197 120.500 0.028 0.000 2.148 731 R HA -0.125 4.215 4.340 -0.001 0.000 0.223 731 R C 1.986 178.187 176.300 -0.165 0.000 1.088 731 R CA 1.661 57.719 56.100 -0.071 0.000 0.985 731 R CB -1.008 29.353 30.300 0.102 0.000 0.880 731 R HN 0.425 nan 8.270 nan 0.000 0.451 732 Q N 0.064 119.774 119.800 -0.151 0.000 2.167 732 Q HA -0.062 4.277 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 1.679 57.393 55.803 -0.148 0.000 0.855 732 Q CB -0.027 28.646 28.738 -0.108 0.000 0.911 732 Q HN 0.364 nan 8.270 nan 0.000 0.438 733 R N -1.185 119.088 120.500 -0.378 0.000 2.039 733 R HA 0.075 4.415 4.340 -0.001 0.000 0.218 733 R C 0.014 176.126 176.300 -0.314 0.000 1.220 733 R CA 0.825 56.666 56.100 -0.432 0.000 0.993 733 R CB -0.115 29.719 30.300 -0.777 0.000 0.881 733 R HN 0.170 nan 8.270 nan 0.000 0.450 734 Y N 1.455 121.516 120.300 -0.398 0.000 2.623 734 Y HA 0.243 4.793 4.550 -0.000 0.000 0.341 734 Y C 0.669 176.346 175.900 -0.373 0.000 1.292 734 Y CA -0.387 57.452 58.100 -0.435 0.000 1.840 734 Y CB -0.217 37.847 38.460 -0.660 0.000 1.865 734 Y HN 0.397 nan 8.280 nan 0.000 0.440 735 E N 0.806 120.942 120.200 -0.107 0.000 2.489 735 E HA 0.098 4.448 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 0.129 29.768 29.700 -0.102 0.000 1.334 735 E HN 0.567 nan 8.360 nan 0.000 0.672 736 I N 1.481 122.015 120.570 -0.060 0.000 2.700 736 I HA -0.133 4.037 4.170 -0.001 0.000 0.261 736 I C 1.114 177.203 176.117 -0.047 0.000 1.219 736 I CA 0.854 62.124 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 0.743 177.586 176.870 -0.045 0.000 1.113 737 L CA 0.200 55.003 54.840 -0.062 0.000 0.876 737 L CB -0.048 41.951 42.059 -0.101 0.000 1.072 737 L HN 0.209 nan 8.230 nan 0.000 0.468 738 A N -0.549 122.248 122.820 -0.038 0.000 3.307 738 A HA 0.645 4.964 4.320 -0.001 0.000 0.289 738 A C 0.768 178.336 177.584 -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 1.103 123.907 122.820 -0.027 0.000 1.854 739 A HA 0.010 4.329 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 0.969 52.987 52.037 -0.031 0.000 0.611 739 A CB -0.257 18.726 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 0.499 5.238 4.740 -0.001 0.000 0.284 740 N C 0.244 175.750 175.510 -0.006 0.000 1.209 740 N CA 0.735 53.778 53.050 -0.011 0.000 1.149 740 N CB 0.929 39.412 38.487 -0.007 0.000 1.434 740 N HN 0.492 nan 8.380 nan 0.000 0.529 741 A N 0.865 123.680 122.820 -0.009 0.000 1.808 741 A HA 0.259 4.579 4.320 -0.001 0.000 0.190 741 A C 0.253 177.833 177.584 -0.007 0.000 1.822 741 A CA 0.070 52.106 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 3.007 123.567 120.570 -0.017 0.000 2.441 742 I HA 0.279 4.448 4.170 -0.001 0.000 0.287 742 I C -1.787 174.311 176.117 -0.033 0.000 1.049 742 I CA -1.799 59.486 61.300 -0.025 0.000 1.381 742 I CB -0.227 37.748 38.000 -0.042 0.000 1.409 742 I HN 0.223 nan 8.210 nan 0.000 0.523 743 P HA 0.093 nan 4.420 nan 0.000 0.286 743 P C 0.685 177.959 177.300 -0.043 0.000 1.278 743 P CA -0.282 62.806 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 -1.247 119.135 120.400 -0.030 0.000 2.314 744 K HA 0.127 4.447 4.320 -0.001 0.000 0.198 744 K C 1.143 177.710 176.600 -0.055 0.000 1.045 744 K CA 0.275 56.534 56.287 -0.047 0.000 0.988 744 K CB -0.423 32.073 32.500 -0.008 0.000 0.783 744 K HN 0.566 nan 8.250 nan 0.000 0.484 745 G N 0.088 108.893 108.800 0.009 0.000 2.539 745 G HA2 0.201 4.160 3.960 -0.001 0.000 0.258 745 G HA3 0.201 4.160 3.960 -0.001 0.000 0.258 745 G C -0.784 174.150 174.900 0.056 0.000 1.202 745 G CA -0.581 44.585 45.100 0.110 0.000 0.851 745 G HN 0.063 nan 8.290 nan 0.000 0.556 746 F N 1.667 121.624 119.950 0.012 0.000 2.464 746 F HA 0.361 4.888 4.527 -0.000 0.000 0.353 746 F C 0.566 176.379 175.800 0.021 0.000 1.191 746 F CA -0.407 57.603 58.000 0.016 0.000 1.147 746 F CB 0.502 39.511 39.000 0.015 0.000 1.294 746 F HN -0.040 nan 8.300 nan 0.000 0.583 747 M N 0.559 120.239 119.600 0.133 0.000 2.849 747 M HA 0.245 4.725 4.480 -0.001 0.000 0.299 747 M C -0.135 176.221 176.300 0.093 0.000 1.223 747 M CA -1.459 53.901 55.300 0.099 0.000 0.856 747 M CB 0.633 33.268 32.600 0.058 0.000 1.680 747 M HN 0.228 nan 8.290 nan 0.000 0.506 748 D N 0.928 121.378 120.400 0.083 0.000 2.586 748 D HA 0.015 4.654 4.640 -0.001 0.000 0.234 748 D C 1.216 177.573 176.300 0.095 0.000 1.132 748 D CA 0.741 54.800 54.000 0.098 0.000 0.860 748 D CB 0.764 41.614 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 3.680 3.960 -0.001 0.000 0.220 749 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.220 749 G C 1.388 176.284 174.900 -0.007 0.000 1.115 749 G CA 0.633 45.858 45.100 0.208 0.000 0.757 749 G HN 0.525 nan 8.290 nan 0.000 0.560 750 K N -0.040 120.359 120.400 -0.002 0.000 2.021 750 K HA -0.047 4.273 4.320 -0.001 0.000 0.205 750 K C 2.414 178.800 176.600 -0.357 0.000 1.047 750 K CA 1.161 57.145 56.287 -0.504 0.000 0.943 750 K CB -0.285 32.281 32.500 0.110 0.000 0.725 750 K HN 0.356 nan 8.250 nan 0.000 0.439 751 Q N 0.287 120.014 119.800 -0.123 0.000 2.230 751 Q HA -0.082 4.258 4.340 -0.001 0.000 0.202 751 Q C 1.661 177.617 176.000 -0.073 0.000 0.963 751 Q CA 1.197 56.953 55.803 -0.078 0.000 0.866 751 Q CB 0.068 28.795 28.738 -0.019 0.000 0.931 751 Q HN 0.358 nan 8.270 nan 0.000 0.452 752 A N 0.557 123.337 122.820 -0.066 0.000 1.897 752 A HA -0.164 4.156 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 1.340 53.358 52.037 -0.031 0.000 0.620 752 A CB -1.286 17.710 19.000 -0.007 0.000 0.821 752 A HN 0.693 nan 8.150 nan 0.000 0.443 753 C N -0.845 118.400 119.300 -0.091 0.000 2.435 753 C HA 0.018 4.478 4.460 -0.001 0.000 0.279 753 C C 2.395 177.332 174.990 -0.088 0.000 1.321 753 C CA 0.972 59.967 59.018 -0.038 0.000 1.752 753 C CB -1.423 26.118 27.740 -0.332 0.000 1.959 753 C HN 0.502 nan 8.230 nan 0.000 0.500 754 I N 0.601 121.068 120.570 -0.173 0.000 2.226 754 I HA -0.101 4.069 4.170 -0.001 0.000 0.245 754 I C 2.360 178.457 176.117 -0.033 0.000 1.100 754 I CA 1.331 62.557 61.300 -0.122 0.000 1.374 754 I CB -0.348 37.589 38.000 -0.104 0.000 1.057 754 I HN 0.237 nan 8.210 nan 0.000 0.413 755 L N -0.584 120.631 121.223 -0.013 0.000 2.131 755 L HA -0.182 4.158 4.340 -0.001 0.000 0.210 755 L C 2.344 179.238 176.870 0.040 0.000 1.092 755 L CA 1.784 56.632 54.840 0.013 0.000 0.759 755 L CB -0.747 41.316 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 4.271 4.480 -0.001 0.000 0.261 756 M C 2.384 178.769 176.300 0.143 0.000 1.070 756 M CA 1.830 57.203 55.300 0.122 0.000 1.125 756 M CB -0.618 32.117 32.600 0.225 0.000 1.339 756 M HN 0.138 nan 8.290 nan 0.000 0.409 757 I N 0.628 121.292 120.570 0.156 0.000 2.264 757 I HA -0.322 3.848 4.170 -0.001 0.000 0.248 757 I C 2.729 178.888 176.117 0.071 0.000 1.111 757 I CA 1.325 62.676 61.300 0.084 0.000 1.382 757 I CB -0.429 37.457 38.000 -0.190 0.000 1.060 757 I HN 0.336 nan 8.210 nan 0.000 0.418 758 K N 1.626 122.063 120.400 0.062 0.000 2.148 758 K HA -0.163 4.156 4.320 -0.001 0.000 0.204 758 K C 2.092 178.734 176.600 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 1.651 124.508 122.820 0.062 0.000 1.898 759 A HA -0.072 4.248 4.320 -0.001 0.000 0.216 759 A C 1.972 179.591 177.584 0.058 0.000 1.181 759 A CA 1.252 53.319 52.037 0.051 0.000 0.620 759 A CB -0.473 18.551 19.000 0.039 0.000 0.819 759 A HN 0.348 nan 8.150 nan 0.000 0.442 760 L N -0.743 120.524 121.223 0.073 0.000 2.645 760 L HA 0.203 4.543 4.340 -0.001 0.000 0.235 760 L C 0.078 177.011 176.870 0.105 0.000 1.150 760 L CA 0.189 55.078 54.840 0.081 0.000 0.911 760 L CB -0.964 41.146 42.059 0.085 0.000 1.077 760 L HN 0.362 nan 8.230 nan 0.000 0.438 761 E N 0.713 120.975 120.200 0.103 0.000 2.202 761 E HA -0.214 4.135 4.350 -0.001 0.000 0.214 761 E C -0.171 176.524 176.600 0.158 0.000 1.303 761 E CA 0.171 56.640 56.400 0.115 0.000 0.714 761 E CB -1.039 28.714 29.700 0.089 0.000 1.130 761 E HN 0.426 nan 8.360 nan 0.000 0.356 762 L N 1.043 122.392 121.223 0.209 0.000 2.499 762 L HA 0.027 4.367 4.340 -0.001 0.000 0.273 762 L C 0.841 177.935 176.870 0.374 0.000 1.195 762 L CA 0.268 55.297 54.840 0.314 0.000 0.882 762 L CB 0.257 42.523 42.059 0.345 0.000 1.133 762 L HN 0.207 nan 8.230 nan 0.000 0.483 763 D N 6.256 126.827 120.400 0.284 0.000 2.382 763 D HA 0.053 4.693 4.640 -0.001 0.000 0.259 763 D C -1.511 174.837 176.300 0.080 0.000 1.224 763 D CA -1.146 52.955 54.000 0.169 0.000 0.894 763 D CB 0.943 41.814 40.800 0.117 0.000 1.127 763 D HN 0.236 nan 8.370 nan 0.000 0.487 764 P HA -0.117 nan 4.420 nan 0.000 0.280 764 P C -0.190 176.933 177.300 -0.295 0.000 1.359 764 P CA 0.775 63.675 63.100 -0.334 0.000 0.744 764 P CB -0.079 31.535 31.700 -0.143 0.000 1.236 765 N N -1.060 117.556 118.700 -0.141 0.000 2.113 765 N HA 0.130 4.870 4.740 -0.001 0.000 0.223 765 N C 1.276 176.846 175.510 0.100 0.000 1.310 765 N CA -0.108 52.938 53.050 -0.006 0.000 0.896 765 N CB 0.528 39.026 38.487 0.020 0.000 1.097 765 N HN 0.052 nan 8.380 nan 0.000 0.507 766 L N 0.533 121.833 121.223 0.129 0.000 2.249 766 L HA 0.101 4.441 4.340 -0.001 0.000 0.207 766 L C 0.469 177.618 176.870 0.464 0.000 1.090 766 L CA 0.551 55.553 54.840 0.271 0.000 0.802 766 L CB -0.227 42.029 42.059 0.328 0.000 0.947 766 L HN 0.175 nan 8.230 nan 0.000 0.453 767 Y N -1.418 119.045 120.300 0.272 0.000 2.549 767 Y HA 0.780 5.329 4.550 -0.001 0.000 0.339 767 Y C -0.422 175.392 175.900 -0.144 0.000 1.053 767 Y CA -1.690 56.424 58.100 0.023 0.000 1.105 767 Y CB 1.063 39.247 38.460 -0.460 0.000 1.258 767 Y HN -0.254 nan 8.280 nan 0.000 0.478 768 R N 2.844 123.122 120.500 -0.371 0.000 2.502 768 R HA 0.458 4.798 4.340 -0.001 0.000 0.300 768 R C -1.623 174.518 176.300 -0.265 0.000 0.984 768 R CA -1.037 54.699 56.100 -0.606 0.000 0.882 768 R CB 0.789 30.216 30.300 -1.455 0.000 1.180 768 R HN 0.831 nan 8.270 nan 0.000 0.444 769 I N 2.756 123.248 120.570 -0.129 0.000 2.519 769 I HA 0.447 4.616 4.170 -0.001 0.000 0.287 769 I C 1.046 177.141 176.117 -0.036 0.000 1.047 769 I CA 0.344 61.631 61.300 -0.021 0.000 1.381 769 I CB 1.150 39.163 38.000 0.021 0.000 1.417 769 I HN 0.751 nan 8.210 nan 0.000 0.540 770 G N 3.956 112.815 108.800 0.099 0.000 3.222 770 G HA2 0.307 4.267 3.960 -0.001 0.000 0.263 770 G HA3 0.307 4.267 3.960 -0.001 0.000 0.263 770 G C 0.201 175.187 174.900 0.142 0.000 1.312 770 G CA -0.027 45.103 45.100 0.050 0.000 0.934 770 G HN 0.429 nan 8.290 nan 0.000 0.577 771 Q N -0.099 119.719 119.800 0.029 0.000 1.967 771 Q HA -0.016 4.324 4.340 -0.001 0.000 0.202 771 Q C 1.407 177.289 176.000 -0.197 0.000 0.985 771 Q CA 2.289 58.084 55.803 -0.013 0.000 0.839 771 Q CB -0.247 28.464 28.738 -0.045 0.000 0.906 771 Q HN 0.608 nan 8.270 nan 0.000 0.423 772 S N -0.464 114.950 115.700 -0.478 0.000 2.440 772 S HA 0.530 5.000 4.470 -0.001 0.000 0.142 772 S C -1.210 172.854 174.600 -0.894 0.000 1.578 772 S CA -0.641 56.861 58.200 -1.163 0.000 1.260 772 S CB -0.150 62.706 63.200 -0.574 0.000 1.407 772 S HN 0.296 nan 8.310 nan 0.000 0.392 773 K N 2.542 122.456 120.400 -0.811 0.000 3.035 773 K HA 0.195 4.515 4.320 -0.001 0.000 0.330 773 K C -2.011 174.804 176.600 0.359 0.000 1.164 773 K CA -0.580 55.682 56.287 -0.041 0.000 0.919 773 K CB 0.414 32.919 32.500 0.010 0.000 1.368 773 K HN 0.469 nan 8.250 nan 0.000 0.385 774 I N 2.448 123.186 120.570 0.279 0.000 2.530 774 I HA 0.410 4.580 4.170 -0.001 0.000 0.297 774 I C -0.591 175.606 176.117 0.134 0.000 1.011 774 I CA -0.824 60.562 61.300 0.143 0.000 1.107 774 I CB 1.137 38.982 38.000 -0.258 0.000 1.285 774 I HN 0.444 nan 8.210 nan 0.000 0.436 775 F N 4.938 124.776 119.950 -0.187 0.000 2.319 775 F HA 0.427 4.954 4.527 -0.001 0.000 0.356 775 F C 0.036 175.858 175.800 0.036 0.000 1.100 775 F CA -0.685 57.294 58.000 -0.036 0.000 1.220 775 F CB 0.092 39.010 39.000 -0.137 0.000 1.506 775 F HN 0.186 nan 8.300 nan 0.000 0.512 776 F N 1.051 121.205 119.950 0.341 0.000 2.406 776 F HA 0.422 4.949 4.527 -0.001 0.000 0.327 776 F C 1.196 177.242 175.800 0.409 0.000 1.153 776 F CA -0.389 57.845 58.000 0.390 0.000 1.218 776 F CB 0.544 39.708 39.000 0.274 0.000 1.215 776 F HN 0.202 nan 8.300 nan 0.000 0.570 777 R N 0.058 120.891 120.500 0.556 0.000 2.574 777 R HA 0.304 4.644 4.340 -0.001 0.000 0.266 777 R C -0.518 175.937 176.300 0.259 0.000 1.157 777 R CA -0.354 55.930 56.100 0.306 0.000 1.187 777 R CB 0.274 30.692 30.300 0.196 0.000 1.179 777 R HN 0.740 nan 8.270 nan 0.000 0.600 778 T N -0.196 114.456 114.554 0.162 0.000 2.940 778 T HA 0.285 4.635 4.350 -0.001 0.000 0.309 778 T C 1.221 176.009 174.700 0.148 0.000 1.056 778 T CA 0.087 62.274 62.100 0.144 0.000 1.137 778 T CB 0.652 69.585 68.868 0.109 0.000 0.976 778 T HN 0.791 nan 8.240 nan 0.000 0.547 779 G N 1.254 110.138 108.800 0.140 0.000 2.238 779 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.270 779 G HA3 -0.333 3.627 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 0.138 0.000 0.639 779 G HN 0.792 nan 8.290 nan 0.000 0.544 780 V N -0.091 119.923 119.914 0.166 0.000 3.078 780 V HA -0.000 4.119 4.120 -0.001 0.000 0.265 780 V C 2.456 178.590 176.094 0.066 0.000 1.122 780 V CA 1.709 64.122 62.300 0.189 0.000 1.141 780 V CB -0.079 31.949 31.823 0.342 0.000 0.735 780 V HN 0.374 nan 8.190 nan 0.000 0.498 781 L N -0.333 120.901 121.223 0.019 0.000 2.357 781 L HA 0.342 4.682 4.340 -0.001 0.000 0.211 781 L C 2.466 179.292 176.870 -0.073 0.000 1.075 781 L CA 1.657 56.433 54.840 -0.106 0.000 0.830 781 L CB -1.084 40.964 42.059 -0.019 0.000 0.996 781 L HN 0.257 nan 8.230 nan 0.000 0.467 782 A N -1.063 121.775 122.820 0.031 0.000 1.933 782 A HA -0.287 4.033 4.320 -0.001 0.000 0.218 782 A C 2.218 179.839 177.584 0.062 0.000 1.175 782 A CA 1.855 53.931 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 -0.223 118.825 119.070 -0.037 0.000 2.321 783 H HA -0.049 4.506 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 1.687 57.698 56.048 -0.061 0.000 1.319 783 H CB -0.181 29.557 29.762 -0.040 0.000 1.379 783 H HN 0.242 nan 8.280 nan 0.000 0.501 784 L N 0.642 121.618 121.223 -0.412 0.000 2.083 784 L HA -0.128 4.212 4.340 -0.001 0.000 0.209 784 L C 2.432 178.874 176.870 -0.713 0.000 1.083 784 L CA 1.831 56.215 54.840 -0.761 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 0.271 120.202 120.200 -0.448 0.000 2.051 785 E HA -0.220 4.130 4.350 -0.001 0.000 0.192 785 E C 2.153 178.693 176.600 -0.100 0.000 0.991 785 E CA 1.418 57.728 56.400 -0.149 0.000 0.799 785 E CB 0.050 29.737 29.700 -0.021 0.000 0.748 785 E HN 0.402 nan 8.360 nan 0.000 0.449 786 E N -0.327 119.812 120.200 -0.102 0.000 2.072 786 E HA -0.144 4.205 4.350 -0.001 0.000 0.190 786 E C 1.957 178.491 176.600 -0.110 0.000 0.982 786 E CA 0.815 57.183 56.400 -0.053 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 0.347 120.407 120.200 -0.234 0.000 2.077 787 E HA -0.215 4.135 4.350 -0.001 0.000 0.193 787 E C 2.128 178.635 176.600 -0.155 0.000 0.989 787 E CA 0.760 57.017 56.400 -0.237 0.000 0.800 787 E CB -0.136 29.322 29.700 -0.403 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 4.189 4.340 -0.001 0.000 0.231 788 R C 1.457 177.732 176.300 -0.043 0.000 1.119 788 R CA 1.738 57.791 56.100 -0.078 0.000 0.970 788 R CB 0.007 30.299 30.300 -0.013 0.000 0.864 788 R HN -0.016 nan 8.270 nan 0.000 0.440 789 D N 0.467 120.844 120.400 -0.037 0.000 2.144 789 D HA -0.130 4.510 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 0.593 121.799 121.223 -0.028 0.000 2.046 790 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 790 L C 1.741 178.597 176.870 -0.023 0.000 1.077 790 L CA 1.481 56.307 54.840 -0.023 0.000 0.747 790 L CB -0.287 41.752 42.059 -0.033 0.000 0.896 790 L HN -0.083 nan 8.230 nan 0.000 0.432 791 K N -0.294 120.087 120.400 -0.033 0.000 2.630 791 K HA 0.043 4.363 4.320 -0.001 0.000 0.204 791 K C 0.564 177.151 176.600 -0.023 0.000 1.024 791 K CA 0.475 56.744 56.287 -0.030 0.000 1.157 791 K CB -0.024 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 -6.081 114.480 120.570 -0.015 0.000 5.008 792 I HA -0.046 4.124 4.170 -0.001 0.000 0.374 792 I C 1.470 177.590 176.117 0.005 0.000 1.184 792 I CA -0.308 60.986 61.300 -0.010 0.000 1.455 792 I CB 0.028 38.020 38.000 -0.015 0.000 1.902 792 I HN -0.177 nan 8.210 nan 0.000 0.629 793 T N 0.587 115.144 114.554 0.006 0.000 2.565 793 T HA -0.269 4.080 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 2.501 64.609 62.100 0.015 0.000 1.173 793 T CB -1.177 67.697 68.868 0.010 0.000 0.864 793 T HN 0.427 nan 8.240 nan 0.000 0.425 794 D N 1.710 122.119 120.400 0.016 0.000 2.230 794 D HA -0.144 4.496 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 1.567 55.578 54.000 0.019 0.000 0.853 794 D CB -1.143 39.664 40.800 0.011 0.000 0.959 794 D HN 0.371 nan 8.370 nan 0.000 0.449 795 V N 1.008 120.940 119.914 0.030 0.000 2.324 795 V HA -0.251 3.869 4.120 -0.001 0.000 0.250 795 V C 2.368 178.517 176.094 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 -0.568 120.050 120.570 0.080 0.000 2.394 796 I HA -0.162 4.007 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 1.830 63.204 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 0.897 121.510 120.570 0.070 0.000 2.286 797 I HA -0.178 3.991 4.170 -0.001 0.000 0.245 797 I C 2.778 178.920 176.117 0.043 0.000 1.104 797 I CA 1.093 62.418 61.300 0.042 0.000 1.397 797 I CB -0.329 37.686 38.000 0.026 0.000 1.072 797 I HN 0.078 nan 8.210 nan 0.000 0.417 798 A N 0.713 123.573 122.820 0.067 0.000 1.858 798 A HA -0.270 4.050 4.320 -0.001 0.000 0.216 798 A C 2.244 179.890 177.584 0.103 0.000 1.190 798 A CA 1.685 53.765 52.037 0.072 0.000 0.617 798 A CB -1.035 18.011 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 2.310 178.109 175.800 -0.003 0.000 1.087 799 F CA 1.870 59.865 58.000 -0.008 0.000 1.340 799 F CB -0.513 38.477 39.000 -0.015 0.000 1.031 799 F HN 0.321 nan 8.300 nan 0.000 0.500 800 Q N 0.011 119.734 119.800 -0.127 0.000 2.096 800 Q HA -0.177 4.163 4.340 -0.001 0.000 0.204 800 Q C 2.416 178.296 176.000 -0.201 0.000 0.982 800 Q CA 1.785 57.465 55.803 -0.207 0.000 0.850 800 Q CB -0.405 28.303 28.738 -0.051 0.000 0.901 800 Q HN 0.527 nan 8.270 nan 0.000 0.422 801 A N 0.238 122.990 122.820 -0.114 0.000 1.930 801 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 801 A C 1.948 179.477 177.584 -0.093 0.000 1.175 801 A CA 1.078 53.069 52.037 -0.076 0.000 0.627 801 A CB -0.311 18.670 19.000 -0.031 0.000 0.815 801 A HN 0.301 nan 8.150 nan 0.000 0.443 802 Q N -0.650 119.075 119.800 -0.126 0.000 2.079 802 Q HA -0.164 4.176 4.340 -0.001 0.000 0.200 802 Q C 2.384 178.291 176.000 -0.155 0.000 0.974 802 Q CA 1.688 57.432 55.803 -0.099 0.000 0.840 802 Q CB -0.557 28.158 28.738 -0.039 0.000 0.898 802 Q HN 0.751 nan 8.270 nan 0.000 0.430 803 C N 0.349 119.420 119.300 -0.381 0.000 2.440 803 C HA -0.073 4.386 4.460 -0.001 0.000 0.278 803 C C 2.724 177.655 174.990 -0.098 0.000 1.295 803 C CA 0.375 59.189 59.018 -0.340 0.000 1.738 803 C CB -0.847 26.543 27.740 -0.582 0.000 1.987 803 C HN 0.471 nan 8.230 nan 0.000 0.492 804 R N 0.765 121.203 120.500 -0.104 0.000 2.073 804 R HA -0.057 4.283 4.340 -0.001 0.000 0.234 804 R C 2.532 178.830 176.300 -0.002 0.000 1.134 804 R CA 1.675 57.750 56.100 -0.042 0.000 0.952 804 R CB -0.814 29.456 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 3.618 3.960 -0.001 0.000 0.217 805 G HA3 -0.342 3.618 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 0.586 120.863 120.300 -0.038 0.000 2.145 806 Y HA -0.040 4.510 4.550 -0.001 0.000 0.286 806 Y C 2.613 178.511 175.900 -0.004 0.000 1.145 806 Y CA 1.616 59.706 58.100 -0.017 0.000 1.148 806 Y CB -0.298 38.145 38.460 -0.028 0.000 0.981 806 Y HN 0.147 nan 8.280 nan 0.000 0.507 807 L N -0.318 120.984 121.223 0.130 0.000 2.017 807 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 807 L C 2.628 179.501 176.870 0.005 0.000 1.073 807 L CA 1.803 56.680 54.840 0.063 0.000 0.745 807 L CB -0.898 41.197 42.059 0.060 0.000 0.894 807 L HN 0.311 nan 8.230 nan 0.000 0.432 808 A N 0.085 122.908 122.820 0.005 0.000 1.865 808 A HA -0.219 4.101 4.320 -0.001 0.000 0.217 808 A C 2.243 179.843 177.584 0.027 0.000 1.191 808 A CA 1.886 53.925 52.037 0.002 0.000 0.623 808 A CB -0.589 18.397 19.000 -0.023 0.000 0.826 808 A HN 0.501 nan 8.150 nan 0.000 0.444 809 R N -0.569 119.931 120.500 -0.001 0.000 2.189 809 R HA 0.010 4.350 4.340 -0.001 0.000 0.218 809 R C 1.488 177.803 176.300 0.025 0.000 1.074 809 R CA 0.971 57.099 56.100 0.047 0.000 0.991 809 R CB -0.381 29.910 30.300 -0.015 0.000 0.883 809 R HN 0.362 nan 8.270 nan 0.000 0.457 810 K N 1.169 121.509 120.400 -0.100 0.000 2.098 810 K HA 0.123 4.442 4.320 -0.001 0.000 0.203 810 K C 2.162 178.726 176.600 -0.059 0.000 1.051 810 K CA 1.163 57.357 56.287 -0.155 0.000 0.957 810 K CB -0.136 32.195 32.500 -0.282 0.000 0.738 810 K HN 0.157 nan 8.250 nan 0.000 0.447 811 A N 0.998 123.816 122.820 -0.003 0.000 1.898 811 A HA -0.147 4.173 4.320 -0.001 0.000 0.216 811 A C 1.984 179.591 177.584 0.037 0.000 1.181 811 A CA 1.095 53.142 52.037 0.017 0.000 0.620 811 A CB -0.697 18.325 19.000 0.036 0.000 0.819 811 A HN 0.339 nan 8.150 nan 0.000 0.442 812 F N 1.145 121.064 119.950 -0.052 0.000 2.333 812 F HA 0.036 4.562 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 0.874 58.847 58.000 -0.044 0.000 1.395 812 F CB -0.248 38.726 39.000 -0.044 0.000 1.056 812 F HN 0.213 nan 8.300 nan 0.000 0.529 813 A N 0.902 123.521 122.820 -0.335 0.000 2.016 813 A HA -0.095 4.225 4.320 -0.001 0.000 0.217 813 A C 2.255 179.663 177.584 -0.293 0.000 1.162 813 A CA 1.329 53.123 52.037 -0.404 0.000 0.662 813 A CB -0.648 18.240 19.000 -0.188 0.000 0.812 813 A HN 0.571 nan 8.150 nan 0.000 0.450 814 K N -0.835 119.450 120.400 -0.191 0.000 2.116 814 K HA -0.018 4.301 4.320 -0.001 0.000 0.203 814 K C 2.012 178.534 176.600 -0.130 0.000 1.052 814 K CA 1.207 57.417 56.287 -0.128 0.000 0.952 814 K CB -0.181 32.274 32.500 -0.075 0.000 0.729 814 K HN 0.148 nan 8.250 nan 0.000 0.446 815 R N 1.043 121.458 120.500 -0.141 0.000 2.092 815 R HA 0.021 4.360 4.340 -0.001 0.000 0.231 815 R C 2.340 178.553 176.300 -0.144 0.000 1.119 815 R CA 1.541 57.578 56.100 -0.105 0.000 0.970 815 R CB -0.172 30.097 30.300 -0.051 0.000 0.864 815 R HN 0.386 nan 8.270 nan 0.000 0.440 816 Q N -0.255 119.383 119.800 -0.271 0.000 2.170 816 Q HA -0.249 4.090 4.340 -0.001 0.000 0.203 816 Q C 1.892 177.791 176.000 -0.168 0.000 0.976 816 Q CA 1.853 57.491 55.803 -0.276 0.000 0.858 816 Q CB 0.065 28.511 28.738 -0.486 0.000 0.907 816 Q HN 0.453 nan 8.270 nan 0.000 0.433 817 Q N 0.163 119.870 119.800 -0.155 0.000 2.123 817 Q HA -0.182 4.158 4.340 -0.001 0.000 0.199 817 Q C 1.716 177.672 176.000 -0.072 0.000 0.966 817 Q CA 1.449 57.191 55.803 -0.103 0.000 0.845 817 Q CB -0.458 28.223 28.738 -0.094 0.000 0.907 817 Q HN 0.356 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 -0.130 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 1.731 57.505 55.803 -0.047 0.000 0.840 818 Q CB -0.697 28.017 28.738 -0.041 0.000 0.898 818 Q HN 0.574 nan 8.270 nan 0.000 0.424 819 L N 0.072 121.268 121.223 -0.044 0.000 2.013 819 L HA 0.000 4.340 4.340 -0.001 0.000 0.212 819 L C 2.300 179.152 176.870 -0.031 0.000 1.073 819 L CA 2.463 57.283 54.840 -0.033 0.000 0.753 819 L CB -1.438 40.601 42.059 -0.034 0.000 0.890 819 L HN 0.122 nan 8.230 nan 0.000 0.432 820 G N -0.717 108.059 108.800 -0.039 0.000 2.443 820 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.219 820 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.219 820 G C 0.931 175.814 174.900 -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 0.000 115.682 115.700 -0.029 0.000 2.498 821 S HA 0.000 4.470 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