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 2ja8_1_B DATA FIRST_RESID 18 DATA SEQUENCE FEDESAPITA EDSWAVISAF FREKGLVSQQ LDSFNQFVDY TLQDIICEDS DATA SEQUENCE TLIXXXXXXX XXXXXXXXXX XXISFGKIYV TKPMVNESDG VTHALYPQEA DATA SEQUENCE RLRNLTYSSG LFVDVKXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXKVFI DATA SEQUENCE GRLPIMLRSK NCYLSEATES DLYKLKECPF DMGGYFIING SEKVLIAQER DATA SEQUENCE SAGNIVQVFK KAAPSPISHV AEIRSALEKG SRFISTLQVK LYGREGSSAR DATA SEQUENCE TIKATLPYIK QDIPIVIIFR ALGIIPDGEI LEHICYDVND WQMLEMLKPC DATA SEQUENCE VEDGFVIQDR ETALDFIGRR GTALGIKKEK RIQYAKDILQ KEFLPHITQL DATA SEQUENCE EGFESRKAFF LGYMINRLLL CALDRKDQDD RDHFGKKRLD LAGPLLAQLF DATA SEQUENCE KTLFKKLTKD IFRYMQRTVE XXXXXXXXLA INAKTITSGL KYALATGNWG DATA SEQUENCE EQKKAMSSRA GVSQVLNRYT YSSTLSHLRR TNTPIXXXXX XXKPRQLHNT DATA SEQUENCE HWGLVCPAET PEGQACGLVK NLSLMSCISV GTDPMPIITF LSEWGMEPLE DATA SEQUENCE DYVPHQSPDA TRVFVNGVWH GVHRNPARLM ETLRTLRRKG DINPEVSMIR DATA SEQUENCE DIREKELKIF TDAGRVYRPL FIVEDDESLG HKELKVRKGH IAKLMATEYQ DATA SEQUENCE DXXXXXXXXX EYTWSSLLNE GLVEYIDAEE EESILIAMQP EDLEPAEAXX DATA SEQUENCE XXXXDVDPAK RIRVSHHATT FTHCEIHPSM ILGVAASIIP FPDHNQSPRN DATA SEQUENCE TYQSAMGKQA MGVFLTNYNV RMDTMANILY YPQKPLGTTR AMEYLKFREL DATA SEQUENCE PAGQNAIVAI ACYSGYNQED SMIMNQSSID RGLFRSLFFR SYMDQEKKYG DATA SEQUENCE MSITETFEKP QRTNTLRMKH GTYDKLDDDG LIAPGVRVSG EDVIIGKTTP DATA SEQUENCE ISXXXXXXXX XXXXXSKRDA STPLRSTENG IVDQVLVTTN QDGLKFVKVR DATA SEQUENCE VRTTKIPQIG DKFASRHGQK GTIGITYRRE DMPFTAEGIV PDLIINPHAI DATA SEQUENCE PSRMTVAHLI ECLLSKVAAL SGNEGDASPF TDITVEGISK LLREHGYQSR DATA SEQUENCE GFEVMYNGHT GKKLMAQIFF GPTYYQRLRH MVDDKIHARA RGPMQVLTRQ DATA SEQUENCE PVEGRSRDGG LRFGEMERDC MIAHGAASFL KERLMEASDA FRVHICGIcG DATA SEQUENCE LMTVIAKLNH NQFECKGcDN KIDIYQIHIP YAAKLLFQEL MAMNITPRLY DATA SEQUENCE TDRSRDF 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 18 F HA 0.000 nan 4.527 nan 0.000 0.279 18 F C 0.000 175.786 175.800 -0.024 0.000 0.967 18 F CA 0.000 57.989 58.000 -0.018 0.000 1.383 18 F CB 0.000 38.991 39.000 -0.015 0.000 1.145 19 E N 0.314 120.455 120.200 -0.098 0.000 2.399 19 E HA -0.350 4.001 4.350 0.001 0.000 0.231 19 E C 1.003 177.514 176.600 -0.149 0.000 1.124 19 E CA 2.253 58.583 56.400 -0.118 0.000 0.941 19 E CB -0.130 29.483 29.700 -0.144 0.000 0.790 19 E HN 0.461 nan 8.360 nan 0.000 0.461 20 D N 1.106 121.370 120.400 -0.227 0.000 2.154 20 D HA -0.163 4.477 4.640 0.001 0.000 0.190 20 D C 0.397 176.622 176.300 -0.125 0.000 1.003 20 D CA 1.234 55.124 54.000 -0.184 0.000 0.849 20 D CB -0.406 40.278 40.800 -0.193 0.000 0.942 20 D HN 0.419 nan 8.370 nan 0.000 0.446 21 E N 1.120 121.254 120.200 -0.111 0.000 2.265 21 E HA 0.212 4.562 4.350 0.001 0.000 0.272 21 E C 0.124 176.664 176.600 -0.100 0.000 1.067 21 E CA 0.059 56.390 56.400 -0.115 0.000 0.900 21 E CB 0.261 29.905 29.700 -0.092 0.000 1.017 21 E HN 0.225 nan 8.360 nan 0.000 0.431 22 S N 1.058 116.692 115.700 -0.110 0.000 3.688 22 S HA -0.050 4.420 4.470 0.001 0.000 0.561 22 S C -0.461 174.104 174.600 -0.059 0.000 0.708 22 S CA 0.110 58.265 58.200 -0.076 0.000 1.405 22 S CB -1.696 61.468 63.200 -0.060 0.000 0.887 22 S HN 0.899 nan 8.310 nan 0.000 0.801 23 A N 3.290 126.077 122.820 -0.055 0.000 2.568 23 A HA 1.024 5.344 4.320 0.001 0.000 0.291 23 A C -2.751 174.810 177.584 -0.038 0.000 1.159 23 A CA -1.147 50.862 52.037 -0.046 0.000 0.679 23 A CB 0.786 19.750 19.000 -0.060 0.000 1.285 23 A HN 0.592 nan 8.150 nan 0.000 0.428 24 P HA 0.504 nan 4.420 nan 0.000 0.282 24 P C -0.882 176.403 177.300 -0.025 0.000 1.286 24 P CA 0.030 63.115 63.100 -0.025 0.000 0.777 24 P CB 0.527 32.222 31.700 -0.008 0.000 1.184 25 I N -0.253 120.304 120.570 -0.021 0.000 2.503 25 I HA 0.171 4.341 4.170 0.001 0.000 0.282 25 I C 1.093 177.223 176.117 0.022 0.000 1.059 25 I CA -0.600 60.697 61.300 -0.004 0.000 1.081 25 I CB 1.680 39.661 38.000 -0.032 0.000 1.210 25 I HN 0.311 nan 8.210 nan 0.000 0.450 26 T N 1.968 116.545 114.554 0.037 0.000 2.715 26 T HA 0.356 4.707 4.350 0.001 0.000 0.320 26 T C 1.400 176.145 174.700 0.075 0.000 1.046 26 T CA 0.174 62.304 62.100 0.050 0.000 0.983 26 T CB 0.939 69.841 68.868 0.057 0.000 1.183 26 T HN 0.555 nan 8.240 nan 0.000 0.522 27 A N 0.224 123.097 122.820 0.089 0.000 1.825 27 A HA -0.026 4.295 4.320 0.001 0.000 0.214 27 A C 2.229 179.891 177.584 0.130 0.000 1.206 27 A CA 1.797 53.901 52.037 0.112 0.000 0.609 27 A CB -1.561 17.526 19.000 0.145 0.000 0.851 27 A HN 0.982 nan 8.150 nan 0.000 0.445 28 E N 0.450 120.762 120.200 0.186 0.000 2.352 28 E HA -0.241 4.109 4.350 0.001 0.000 0.203 28 E C 1.265 178.014 176.600 0.249 0.000 1.024 28 E CA 1.671 58.233 56.400 0.270 0.000 0.842 28 E CB -0.288 29.544 29.700 0.220 0.000 0.753 28 E HN 0.601 nan 8.360 nan 0.000 0.508 29 D N -0.818 119.681 120.400 0.165 0.000 2.077 29 D HA -0.106 4.534 4.640 0.001 0.000 0.196 29 D C 1.889 178.291 176.300 0.170 0.000 0.986 29 D CA 1.511 55.608 54.000 0.161 0.000 0.829 29 D CB -0.388 40.484 40.800 0.119 0.000 0.983 29 D HN 0.184 nan 8.370 nan 0.000 0.453 30 S N 0.892 116.651 115.700 0.097 0.000 2.425 30 S HA -0.285 4.185 4.470 0.001 0.000 0.256 30 S C 1.821 176.417 174.600 -0.006 0.000 1.101 30 S CA 1.762 59.972 58.200 0.016 0.000 1.188 30 S CB -1.293 61.770 63.200 -0.227 0.000 1.085 30 S HN 0.455 nan 8.310 nan 0.000 0.439 31 W N 1.776 123.154 121.300 0.130 0.000 2.290 31 W HA -0.261 4.399 4.660 0.001 0.000 0.323 31 W C 2.964 179.603 176.519 0.199 0.000 1.260 31 W CA 0.936 58.360 57.345 0.132 0.000 1.266 31 W CB -0.825 28.709 29.460 0.123 0.000 1.149 31 W HN 0.430 nan 8.180 nan 0.000 0.482 32 A N 0.124 123.197 122.820 0.422 0.000 1.903 32 A HA -0.288 4.032 4.320 0.001 0.000 0.219 32 A C 1.935 179.714 177.584 0.326 0.000 1.191 32 A CA 2.844 55.083 52.037 0.338 0.000 0.638 32 A CB -1.312 17.846 19.000 0.263 0.000 0.823 32 A HN 0.162 nan 8.150 nan 0.000 0.451 33 V N 0.102 120.202 119.914 0.309 0.000 2.295 33 V HA -0.294 3.827 4.120 0.001 0.000 0.246 33 V C 2.430 178.742 176.094 0.363 0.000 1.049 33 V CA 2.070 64.575 62.300 0.342 0.000 1.024 33 V CB -0.751 31.315 31.823 0.406 0.000 0.648 33 V HN 0.585 nan 8.190 nan 0.000 0.447 34 I N -0.133 120.595 120.570 0.264 0.000 2.127 34 I HA -0.259 3.912 4.170 0.001 0.000 0.241 34 I C 2.715 178.968 176.117 0.226 0.000 1.075 34 I CA 1.724 63.104 61.300 0.135 0.000 1.334 34 I CB -0.548 37.507 38.000 0.091 0.000 1.040 34 I HN 0.262 nan 8.210 nan 0.000 0.405 35 S N 0.560 116.551 115.700 0.485 0.000 2.381 35 S HA -0.317 4.154 4.470 0.001 0.000 0.230 35 S C 2.157 177.010 174.600 0.423 0.000 1.052 35 S CA 1.798 60.382 58.200 0.639 0.000 1.068 35 S CB -0.411 63.077 63.200 0.481 0.000 0.918 35 S HN 0.593 nan 8.310 nan 0.000 0.448 36 A N 0.739 123.770 122.820 0.351 0.000 1.972 36 A HA -0.065 4.255 4.320 0.001 0.000 0.219 36 A C 1.841 179.615 177.584 0.316 0.000 1.169 36 A CA 1.251 53.490 52.037 0.336 0.000 0.635 36 A CB -0.709 18.507 19.000 0.359 0.000 0.810 36 A HN 0.514 nan 8.150 nan 0.000 0.446 37 F N 0.406 120.281 119.950 -0.125 0.000 2.010 37 F HA -0.161 4.366 4.527 0.001 0.000 0.296 37 F C 1.914 177.432 175.800 -0.468 0.000 1.146 37 F CA 1.222 58.756 58.000 -0.776 0.000 1.181 37 F CB -1.352 36.889 39.000 -1.264 0.000 0.965 37 F HN 0.301 nan 8.300 nan 0.000 0.480 38 F N 0.407 120.350 119.950 -0.012 0.000 2.451 38 F HA -0.093 4.435 4.527 0.001 0.000 0.299 38 F C 2.435 178.274 175.800 0.065 0.000 1.101 38 F CA 0.524 58.475 58.000 -0.083 0.000 1.436 38 F CB -0.446 38.577 39.000 0.037 0.000 1.074 38 F HN -0.050 nan 8.300 nan 0.000 0.553 39 R N 0.365 121.034 120.500 0.281 0.000 2.081 39 R HA -0.191 4.149 4.340 0.001 0.000 0.235 39 R C 2.120 178.530 176.300 0.184 0.000 1.131 39 R CA 1.808 58.043 56.100 0.224 0.000 0.960 39 R CB -0.334 30.098 30.300 0.220 0.000 0.856 39 R HN 0.382 nan 8.270 nan 0.000 0.436 40 E N 0.295 120.609 120.200 0.190 0.000 2.216 40 E HA -0.052 4.299 4.350 0.001 0.000 0.192 40 E C 1.445 178.135 176.600 0.150 0.000 0.973 40 E CA 0.381 56.888 56.400 0.179 0.000 0.851 40 E CB 0.422 30.262 29.700 0.233 0.000 0.804 40 E HN 0.116 nan 8.360 nan 0.000 0.477 41 K N 0.163 120.638 120.400 0.125 0.000 2.063 41 K HA 0.163 4.484 4.320 0.001 0.000 0.204 41 K C 0.776 177.415 176.600 0.065 0.000 1.039 41 K CA 0.900 57.238 56.287 0.084 0.000 0.957 41 K CB 0.132 32.644 32.500 0.021 0.000 0.764 41 K HN 0.216 nan 8.250 nan 0.000 0.447 42 G N 1.007 109.861 108.800 0.089 0.000 2.705 42 G HA2 -0.200 3.760 3.960 0.001 0.000 0.686 42 G HA3 -0.200 3.760 3.960 0.001 0.000 0.686 42 G C 0.287 175.189 174.900 0.004 0.000 1.285 42 G CA -0.510 44.630 45.100 0.067 0.000 0.800 42 G HN 0.156 nan 8.290 nan 0.000 0.611 43 L N 0.555 121.737 121.223 -0.069 0.000 2.549 43 L HA 0.034 4.375 4.340 0.001 0.000 0.229 43 L C 2.467 179.295 176.870 -0.070 0.000 1.158 43 L CA 1.326 56.090 54.840 -0.126 0.000 0.842 43 L CB -0.474 41.474 42.059 -0.185 0.000 0.952 43 L HN 0.837 nan 8.230 nan 0.000 0.452 44 V N -5.286 114.608 119.914 -0.033 0.000 3.483 44 V HA 0.135 4.256 4.120 0.001 0.000 0.301 44 V C 2.043 178.132 176.094 -0.007 0.000 1.389 44 V CA 0.243 62.532 62.300 -0.020 0.000 1.101 44 V CB -0.103 31.717 31.823 -0.005 0.000 0.971 44 V HN 0.409 nan 8.190 nan 0.000 0.434 45 S N 3.056 118.754 115.700 -0.004 0.000 2.327 45 S HA -0.518 3.952 4.470 0.001 0.000 0.374 45 S C 1.929 176.540 174.600 0.019 0.000 1.025 45 S CA 2.939 61.148 58.200 0.016 0.000 2.076 45 S CB -1.501 61.703 63.200 0.006 0.000 1.611 45 S HN 0.948 nan 8.310 nan 0.000 0.473 46 Q N 0.481 120.281 119.800 -0.000 0.000 2.321 46 Q HA -0.414 3.927 4.340 0.001 0.000 0.226 46 Q C 2.132 178.154 176.000 0.036 0.000 1.090 46 Q CA 2.131 57.936 55.803 0.003 0.000 0.968 46 Q CB -1.232 27.492 28.738 -0.023 0.000 1.036 46 Q HN 0.687 nan 8.270 nan 0.000 0.505 47 Q N 0.707 120.523 119.800 0.027 0.000 2.082 47 Q HA -0.171 4.169 4.340 0.001 0.000 0.211 47 Q C 2.381 178.426 176.000 0.074 0.000 1.002 47 Q CA 2.093 57.923 55.803 0.044 0.000 0.868 47 Q CB -0.507 28.237 28.738 0.010 0.000 0.931 47 Q HN 0.537 nan 8.270 nan 0.000 0.414 48 L N 0.822 122.075 121.223 0.051 0.000 1.910 48 L HA -0.252 4.089 4.340 0.001 0.000 0.221 48 L C 2.179 179.129 176.870 0.134 0.000 1.084 48 L CA 1.517 56.407 54.840 0.083 0.000 0.779 48 L CB -0.956 41.134 42.059 0.052 0.000 0.888 48 L HN 0.191 nan 8.230 nan 0.000 0.432 49 D N -0.305 120.151 120.400 0.094 0.000 2.191 49 D HA -0.273 4.367 4.640 0.001 0.000 0.190 49 D C 2.264 178.619 176.300 0.092 0.000 1.007 49 D CA 2.107 56.156 54.000 0.082 0.000 0.865 49 D CB -0.261 40.586 40.800 0.078 0.000 0.929 49 D HN 0.282 nan 8.370 nan 0.000 0.447 50 S N -0.783 114.987 115.700 0.116 0.000 2.399 50 S HA -0.176 4.295 4.470 0.001 0.000 0.231 50 S C 1.748 176.477 174.600 0.215 0.000 1.022 50 S CA 0.666 58.948 58.200 0.137 0.000 0.983 50 S CB -0.332 62.943 63.200 0.126 0.000 0.803 50 S HN 0.230 nan 8.310 nan 0.000 0.480 51 F N 3.080 123.080 119.950 0.083 0.000 2.113 51 F HA 0.007 4.534 4.527 0.001 0.000 0.297 51 F C 2.016 177.911 175.800 0.158 0.000 1.103 51 F CA 1.564 59.642 58.000 0.130 0.000 1.248 51 F CB -0.878 38.151 39.000 0.048 0.000 0.999 51 F HN 0.222 nan 8.300 nan 0.000 0.475 52 N N 0.591 119.293 118.700 0.005 0.000 2.007 52 N HA -0.274 4.466 4.740 0.001 0.000 0.197 52 N C 1.857 177.270 175.510 -0.161 0.000 1.050 52 N CA 1.740 54.711 53.050 -0.133 0.000 0.856 52 N CB -1.164 37.300 38.487 -0.039 0.000 1.050 52 N HN 0.326 nan 8.380 nan 0.000 0.423 53 Q N 0.235 119.964 119.800 -0.118 0.000 2.389 53 Q HA -0.134 4.207 4.340 0.001 0.000 0.213 53 Q C 1.673 177.624 176.000 -0.083 0.000 0.989 53 Q CA 1.064 56.748 55.803 -0.198 0.000 0.891 53 Q CB -0.447 28.204 28.738 -0.145 0.000 0.923 53 Q HN 0.444 nan 8.270 nan 0.000 0.455 54 F N -1.282 118.574 119.950 -0.157 0.000 2.094 54 F HA -0.048 4.479 4.527 0.001 0.000 0.291 54 F C 1.651 177.350 175.800 -0.169 0.000 1.109 54 F CA 1.287 59.216 58.000 -0.119 0.000 1.221 54 F CB -0.659 38.281 39.000 -0.099 0.000 1.014 54 F HN -0.046 nan 8.300 nan 0.000 0.473 55 V N 1.317 120.916 119.914 -0.524 0.000 2.216 55 V HA -0.302 3.819 4.120 0.001 0.000 0.242 55 V C 2.231 178.108 176.094 -0.361 0.000 1.042 55 V CA 2.199 64.140 62.300 -0.599 0.000 0.991 55 V CB -0.881 30.649 31.823 -0.488 0.000 0.633 55 V HN 0.284 nan 8.190 nan 0.000 0.449 56 D N -0.810 119.474 120.400 -0.194 0.000 2.380 56 D HA -0.226 4.414 4.640 0.001 0.000 0.198 56 D C 1.956 178.354 176.300 0.164 0.000 1.027 56 D CA 2.416 56.426 54.000 0.017 0.000 0.880 56 D CB -0.496 40.379 40.800 0.125 0.000 1.064 56 D HN 0.478 nan 8.370 nan 0.000 0.465 57 Y N 0.828 121.035 120.300 -0.155 0.000 2.256 57 Y HA -0.010 4.541 4.550 0.001 0.000 0.267 57 Y C 2.885 178.687 175.900 -0.163 0.000 1.069 57 Y CA 0.727 58.753 58.100 -0.124 0.000 1.070 57 Y CB -1.372 37.050 38.460 -0.064 0.000 1.020 57 Y HN -0.050 nan 8.280 nan 0.000 0.476 58 T N 1.688 116.272 114.554 0.050 0.000 2.693 58 T HA -0.310 4.040 4.350 0.001 0.000 0.263 58 T C 1.991 176.581 174.700 -0.184 0.000 1.046 58 T CA 2.186 64.263 62.100 -0.038 0.000 1.160 58 T CB -0.944 67.946 68.868 0.036 0.000 0.853 58 T HN 0.174 nan 8.240 nan 0.000 0.462 59 L N 0.749 121.687 121.223 -0.474 0.000 2.042 59 L HA -0.123 4.218 4.340 0.001 0.000 0.210 59 L C 2.579 179.335 176.870 -0.191 0.000 1.076 59 L CA 1.964 56.519 54.840 -0.476 0.000 0.749 59 L CB -0.812 40.846 42.059 -0.669 0.000 0.893 59 L HN 0.221 nan 8.230 nan 0.000 0.432 60 Q N -0.167 119.531 119.800 -0.169 0.000 1.967 60 Q HA -0.227 4.114 4.340 0.001 0.000 0.202 60 Q C 1.757 177.708 176.000 -0.083 0.000 0.985 60 Q CA 2.267 58.000 55.803 -0.118 0.000 0.839 60 Q CB -0.416 28.255 28.738 -0.113 0.000 0.906 60 Q HN 0.533 nan 8.270 nan 0.000 0.423 61 D N -0.502 119.865 120.400 -0.055 0.000 2.362 61 D HA -0.156 4.484 4.640 0.001 0.000 0.215 61 D C 1.292 177.582 176.300 -0.018 0.000 0.978 61 D CA 1.011 54.998 54.000 -0.023 0.000 0.921 61 D CB 0.012 40.816 40.800 0.007 0.000 0.895 61 D HN 0.385 nan 8.370 nan 0.000 0.494 62 I N -0.671 119.874 120.570 -0.042 0.000 2.556 62 I HA -0.080 4.090 4.170 0.001 0.000 0.251 62 I C 1.888 177.939 176.117 -0.110 0.000 1.105 62 I CA 0.059 61.329 61.300 -0.051 0.000 1.436 62 I CB 0.043 38.019 38.000 -0.040 0.000 1.139 62 I HN -0.064 nan 8.210 nan 0.000 0.438 63 I N 0.819 121.237 120.570 -0.252 0.000 2.502 63 I HA -0.239 3.932 4.170 0.001 0.000 0.258 63 I C 0.633 176.748 176.117 -0.004 0.000 1.172 63 I CA 1.026 62.104 61.300 -0.370 0.000 1.430 63 I CB -0.272 37.519 38.000 -0.350 0.000 1.086 63 I HN 0.250 nan 8.210 nan 0.000 0.440 64 C N 1.229 120.535 119.300 0.009 0.000 2.293 64 C HA 0.514 4.974 4.460 0.001 0.000 0.323 64 C C 0.901 175.913 174.990 0.037 0.000 1.240 64 C CA -0.040 59.011 59.018 0.054 0.000 1.497 64 C CB -0.439 27.325 27.740 0.040 0.000 2.171 64 C HN 0.680 nan 8.230 nan 0.000 0.465 65 E N 1.634 121.859 120.200 0.043 0.000 2.621 65 E HA -0.045 4.306 4.350 0.001 0.000 0.286 65 E C 0.106 176.707 176.600 0.001 0.000 1.101 65 E CA 0.125 56.532 56.400 0.012 0.000 2.100 65 E CB -0.438 29.259 29.700 -0.004 0.000 2.411 65 E HN 0.454 nan 8.360 nan 0.000 1.091 66 D N 2.017 122.406 120.400 -0.019 0.000 2.431 66 D HA 0.077 4.717 4.640 0.001 0.000 0.213 66 D C 1.448 177.722 176.300 -0.042 0.000 1.130 66 D CA 0.802 54.776 54.000 -0.042 0.000 0.834 66 D CB 0.648 41.397 40.800 -0.085 0.000 0.985 66 D HN 0.239 nan 8.370 nan 0.000 0.504 67 S N 1.113 116.809 115.700 -0.007 0.000 2.389 67 S HA -0.208 4.263 4.470 0.001 0.000 0.229 67 S C 1.141 175.851 174.600 0.184 0.000 1.048 67 S CA 1.231 59.433 58.200 0.003 0.000 1.117 67 S CB -1.908 61.379 63.200 0.145 0.000 1.020 67 S HN 0.279 nan 8.310 nan 0.000 0.430 68 T N 3.691 118.376 114.554 0.219 0.000 2.819 68 T HA 0.254 4.604 4.350 0.001 0.000 0.282 68 T C 0.072 174.862 174.700 0.149 0.000 1.013 68 T CA 0.387 62.605 62.100 0.197 0.000 1.159 68 T CB -0.279 68.661 68.868 0.119 0.000 1.007 68 T HN 0.279 nan 8.240 nan 0.000 0.514 69 L N 2.764 124.098 121.223 0.185 0.000 2.341 69 L HA 0.665 5.005 4.340 0.001 0.000 0.267 69 L C 0.469 177.475 176.870 0.227 0.000 1.022 69 L CA -1.299 53.668 54.840 0.211 0.000 0.844 69 L CB 1.149 43.395 42.059 0.311 0.000 1.436 69 L HN 0.517 nan 8.230 nan 0.000 0.483 91 S N 4.012 119.583 115.700 -0.215 0.000 2.664 91 S HA 0.874 5.345 4.470 0.001 0.000 0.304 91 S C -1.010 173.401 174.600 -0.315 0.000 1.099 91 S CA -0.708 57.426 58.200 -0.110 0.000 1.003 91 S CB 2.044 65.243 63.200 -0.002 0.000 1.092 91 S HN 0.325 nan 8.310 nan 0.000 0.525 92 F N 0.245 120.243 119.950 0.080 0.000 2.507 92 F HA 0.692 5.220 4.527 0.001 0.000 0.328 92 F C 0.888 176.732 175.800 0.073 0.000 1.136 92 F CA -0.518 57.541 58.000 0.098 0.000 0.930 92 F CB 1.862 40.957 39.000 0.159 0.000 1.166 92 F HN 0.965 nan 8.300 nan 0.000 0.436 93 G N 1.819 110.746 108.800 0.211 0.000 2.695 93 G HA2 0.278 4.238 3.960 0.001 0.000 0.213 93 G HA3 0.278 4.238 3.960 0.001 0.000 0.213 93 G C -0.488 174.488 174.900 0.126 0.000 1.406 93 G CA -0.837 44.346 45.100 0.139 0.000 1.049 93 G HN 0.555 nan 8.290 nan 0.000 0.573 94 K N -0.781 119.667 120.400 0.079 0.000 2.505 94 K HA 0.056 4.376 4.320 0.001 0.000 0.272 94 K C -0.615 176.014 176.600 0.048 0.000 0.963 94 K CA 0.340 56.623 56.287 -0.007 0.000 0.932 94 K CB 0.154 32.601 32.500 -0.088 0.000 0.924 94 K HN 0.335 nan 8.250 nan 0.000 0.520 95 I N 2.224 122.739 120.570 -0.091 0.000 2.647 95 I HA 0.285 4.455 4.170 0.001 0.000 0.295 95 I C -1.655 174.391 176.117 -0.118 0.000 1.078 95 I CA -1.018 60.300 61.300 0.031 0.000 1.048 95 I CB 1.108 39.102 38.000 -0.010 0.000 1.239 95 I HN 0.534 nan 8.210 nan 0.000 0.421 96 Y N 5.706 126.049 120.300 0.072 0.000 2.352 96 Y HA 0.529 5.079 4.550 0.001 0.000 0.339 96 Y C -0.269 175.594 175.900 -0.063 0.000 0.992 96 Y CA -0.897 57.229 58.100 0.044 0.000 1.100 96 Y CB 1.934 40.487 38.460 0.156 0.000 1.192 96 Y HN 0.161 nan 8.280 nan 0.000 0.458 97 V N 3.773 123.687 119.914 -0.001 0.000 2.313 97 V HA 0.279 4.400 4.120 0.001 0.000 0.278 97 V C 0.062 176.092 176.094 -0.107 0.000 1.017 97 V CA -0.841 61.396 62.300 -0.105 0.000 0.823 97 V CB 1.026 32.768 31.823 -0.134 0.000 1.010 97 V HN 0.913 nan 8.190 nan 0.000 0.443 98 T N 2.713 117.158 114.554 -0.182 0.000 2.904 98 T HA 0.446 4.797 4.350 0.001 0.000 0.290 98 T C 0.020 174.635 174.700 -0.141 0.000 1.018 98 T CA -0.739 61.269 62.100 -0.153 0.000 1.075 98 T CB 0.945 69.685 68.868 -0.213 0.000 0.986 98 T HN 0.509 nan 8.240 nan 0.000 0.523 99 K N 2.487 122.805 120.400 -0.138 0.000 2.258 99 K HA 0.252 4.572 4.320 0.001 0.000 0.264 99 K C -2.377 174.181 176.600 -0.070 0.000 1.007 99 K CA -1.529 54.658 56.287 -0.166 0.000 0.941 99 K CB -0.090 32.192 32.500 -0.363 0.000 0.966 99 K HN 0.447 nan 8.250 nan 0.000 0.480 100 P HA -0.154 nan 4.420 nan 0.000 0.266 100 P C -0.595 176.706 177.300 0.003 0.000 1.162 100 P CA 1.182 64.227 63.100 -0.092 0.000 0.758 100 P CB 0.439 31.965 31.700 -0.291 0.000 0.774 101 M N 0.811 120.401 119.600 -0.018 0.000 2.924 101 M HA 0.475 4.956 4.480 0.001 0.000 0.271 101 M C -1.382 174.922 176.300 0.006 0.000 1.280 101 M CA -0.980 54.330 55.300 0.018 0.000 0.813 101 M CB 2.360 34.967 32.600 0.011 0.000 1.658 101 M HN -0.172 nan 8.290 nan 0.000 0.467 102 V N 1.560 121.473 119.914 -0.001 0.000 2.559 102 V HA 0.244 4.364 4.120 0.001 0.000 0.289 102 V C -1.202 174.841 176.094 -0.085 0.000 1.036 102 V CA -0.648 61.623 62.300 -0.047 0.000 0.887 102 V CB 1.557 33.330 31.823 -0.084 0.000 1.022 102 V HN 0.835 nan 8.190 nan 0.000 0.442 103 N N 4.208 122.866 118.700 -0.069 0.000 2.719 103 N HA 0.269 5.010 4.740 0.001 0.000 0.243 103 N C 0.037 175.502 175.510 -0.075 0.000 1.104 103 N CA -0.347 52.658 53.050 -0.075 0.000 0.981 103 N CB 0.532 38.971 38.487 -0.080 0.000 1.290 103 N HN 0.816 nan 8.380 nan 0.000 0.513 104 E N 0.296 120.435 120.200 -0.101 0.000 2.222 104 E HA 0.407 4.757 4.350 0.001 0.000 0.272 104 E C -0.377 176.190 176.600 -0.055 0.000 0.982 104 E CA -1.094 55.255 56.400 -0.086 0.000 0.842 104 E CB 0.931 30.555 29.700 -0.127 0.000 1.144 104 E HN 0.405 nan 8.360 nan 0.000 0.397 105 S N 1.008 116.688 115.700 -0.034 0.000 2.600 105 S HA 0.058 4.528 4.470 0.001 0.000 0.265 105 S C 0.435 175.030 174.600 -0.008 0.000 1.325 105 S CA -0.396 57.795 58.200 -0.016 0.000 1.002 105 S CB 0.526 63.722 63.200 -0.006 0.000 0.921 105 S HN 0.756 nan 8.310 nan 0.000 0.554 106 D N -0.197 120.205 120.400 0.002 0.000 2.955 106 D HA -0.125 4.515 4.640 0.001 0.000 0.226 106 D C 0.259 176.570 176.300 0.017 0.000 1.178 106 D CA 1.807 55.815 54.000 0.012 0.000 0.808 106 D CB -1.287 39.523 40.800 0.018 0.000 1.099 106 D HN 0.979 nan 8.370 nan 0.000 0.421 107 G N -2.258 106.546 108.800 0.007 0.000 2.692 107 G HA2 0.537 4.498 3.960 0.001 0.000 0.291 107 G HA3 0.537 4.498 3.960 0.001 0.000 0.291 107 G C 0.603 175.510 174.900 0.010 0.000 1.423 107 G CA -0.104 45.006 45.100 0.017 0.000 0.843 107 G HN 0.020 nan 8.290 nan 0.000 0.486 108 V N -0.117 119.823 119.914 0.044 0.000 2.326 108 V HA 0.420 4.540 4.120 0.001 0.000 0.164 108 V C 0.939 177.046 176.094 0.021 0.000 0.987 108 V CA 0.832 63.159 62.300 0.045 0.000 1.308 108 V CB -0.277 31.596 31.823 0.084 0.000 0.794 108 V HN 0.770 nan 8.190 nan 0.000 0.448 109 T N 0.081 114.676 114.554 0.068 0.000 3.509 109 T HA 0.312 4.663 4.350 0.001 0.000 0.330 109 T C -0.730 174.062 174.700 0.154 0.000 0.851 109 T CA -0.434 61.693 62.100 0.044 0.000 1.057 109 T CB 0.006 68.890 68.868 0.026 0.000 1.023 109 T HN 0.531 nan 8.240 nan 0.000 0.470 110 H N 1.285 120.376 119.070 0.035 0.000 2.852 110 H HA 0.417 4.974 4.556 0.001 0.000 0.362 110 H C 0.799 176.166 175.328 0.064 0.000 1.122 110 H CA -0.654 55.425 56.048 0.053 0.000 1.419 110 H CB 0.677 30.472 29.762 0.054 0.000 1.401 110 H HN 0.701 nan 8.280 nan 0.000 0.609 111 A N 3.480 126.433 122.820 0.221 0.000 2.302 111 A HA 0.236 4.557 4.320 0.001 0.000 0.295 111 A C -0.440 177.232 177.584 0.148 0.000 1.235 111 A CA -0.495 51.651 52.037 0.180 0.000 0.876 111 A CB -0.028 19.106 19.000 0.224 0.000 1.133 111 A HN 0.412 nan 8.150 nan 0.000 0.533 112 L N 3.333 124.581 121.223 0.041 0.000 2.350 112 L HA 0.608 4.949 4.340 0.001 0.000 0.275 112 L C -0.989 175.714 176.870 -0.278 0.000 1.099 112 L CA -0.054 54.791 54.840 0.009 0.000 0.808 112 L CB 0.374 42.468 42.059 0.058 0.000 1.149 112 L HN 0.615 nan 8.230 nan 0.000 0.442 113 Y N 5.369 125.592 120.300 -0.127 0.000 2.549 113 Y HA 0.484 5.034 4.550 0.001 0.000 0.339 113 Y C -1.632 174.232 175.900 -0.060 0.000 1.053 113 Y CA -1.520 56.478 58.100 -0.169 0.000 1.105 113 Y CB 1.141 39.474 38.460 -0.210 0.000 1.258 113 Y HN 0.538 nan 8.280 nan 0.000 0.478 114 P HA -0.264 nan 4.420 nan 0.000 0.205 114 P C 1.169 178.402 177.300 -0.111 0.000 1.193 114 P CA 1.783 64.627 63.100 -0.426 0.000 0.929 114 P CB 0.298 31.625 31.700 -0.622 0.000 0.772 115 Q N 0.414 120.174 119.800 -0.067 0.000 2.388 115 Q HA -0.244 4.096 4.340 0.001 0.000 0.216 115 Q C 2.135 178.143 176.000 0.014 0.000 0.997 115 Q CA 2.246 58.038 55.803 -0.018 0.000 0.923 115 Q CB -0.914 27.807 28.738 -0.028 0.000 0.922 115 Q HN 0.511 nan 8.270 nan 0.000 0.435 116 E N -1.765 118.457 120.200 0.037 0.000 2.060 116 E HA -0.030 4.320 4.350 0.001 0.000 0.189 116 E C 1.734 178.375 176.600 0.069 0.000 0.974 116 E CA 0.665 57.100 56.400 0.058 0.000 0.808 116 E CB -0.260 29.489 29.700 0.082 0.000 0.768 116 E HN 0.399 nan 8.360 nan 0.000 0.453 117 A N 1.522 124.388 122.820 0.076 0.000 2.076 117 A HA -0.167 4.153 4.320 0.001 0.000 0.220 117 A C 2.058 179.679 177.584 0.062 0.000 1.160 117 A CA 1.131 53.212 52.037 0.074 0.000 0.653 117 A CB -0.498 18.573 19.000 0.117 0.000 0.801 117 A HN 0.190 nan 8.150 nan 0.000 0.455 118 R N -0.830 119.707 120.500 0.062 0.000 2.193 118 R HA 0.121 4.462 4.340 0.001 0.000 0.213 118 R C 1.514 177.870 176.300 0.093 0.000 1.055 118 R CA 0.824 56.967 56.100 0.072 0.000 0.995 118 R CB -0.227 30.112 30.300 0.065 0.000 0.893 118 R HN 0.513 nan 8.270 nan 0.000 0.459 119 L N -0.370 120.912 121.223 0.099 0.000 2.316 119 L HA 0.072 4.413 4.340 0.001 0.000 0.207 119 L C 1.787 178.791 176.870 0.222 0.000 1.070 119 L CA 0.692 55.621 54.840 0.149 0.000 0.820 119 L CB -0.029 42.102 42.059 0.120 0.000 0.992 119 L HN 0.051 nan 8.230 nan 0.000 0.466 120 R N 0.263 120.822 120.500 0.098 0.000 2.334 120 R HA 0.135 4.476 4.340 0.001 0.000 0.216 120 R C -0.251 175.858 176.300 -0.319 0.000 0.905 120 R CA -0.058 56.000 56.100 -0.069 0.000 1.064 120 R CB -0.040 30.230 30.300 -0.049 0.000 1.046 120 R HN 0.338 nan 8.270 nan 0.000 0.508 121 N N 1.011 119.642 118.700 -0.114 0.000 2.746 121 N HA -0.179 4.562 4.740 0.001 0.000 0.250 121 N C -0.433 175.010 175.510 -0.113 0.000 1.055 121 N CA -0.152 52.832 53.050 -0.111 0.000 0.699 121 N CB -0.818 37.547 38.487 -0.203 0.000 0.919 121 N HN 0.178 nan 8.380 nan 0.000 0.548 122 L N -0.881 120.317 121.223 -0.042 0.000 2.719 122 L HA 0.587 4.927 4.340 0.001 0.000 0.182 122 L C 0.648 177.542 176.870 0.039 0.000 1.940 122 L CA -0.376 54.455 54.840 -0.015 0.000 2.839 122 L CB 0.564 42.626 42.059 0.005 0.000 2.949 122 L HN -0.000 nan 8.230 nan 0.000 0.669 123 T N -0.776 113.822 114.554 0.074 0.000 3.566 123 T HA 0.136 4.486 4.350 0.001 0.000 0.330 123 T C -1.209 173.583 174.700 0.152 0.000 0.877 123 T CA -0.408 61.760 62.100 0.113 0.000 1.030 123 T CB 0.240 69.158 68.868 0.083 0.000 1.033 123 T HN 0.208 nan 8.240 nan 0.000 0.463 124 Y N 4.707 125.036 120.300 0.048 0.000 2.547 124 Y HA 0.312 4.863 4.550 0.001 0.000 0.338 124 Y C 0.963 176.897 175.900 0.058 0.000 1.239 124 Y CA -0.026 58.093 58.100 0.031 0.000 1.897 124 Y CB -0.629 37.834 38.460 0.005 0.000 1.808 124 Y HN 0.682 nan 8.280 nan 0.000 0.428 125 S N 1.398 117.066 115.700 -0.054 0.000 2.786 125 S HA 0.940 5.410 4.470 0.001 0.000 0.302 125 S C -0.221 174.312 174.600 -0.112 0.000 1.080 125 S CA -0.161 58.017 58.200 -0.037 0.000 0.925 125 S CB 1.526 64.749 63.200 0.039 0.000 1.325 125 S HN 0.581 nan 8.310 nan 0.000 0.576 126 S N -1.383 114.285 115.700 -0.052 0.000 2.611 126 S HA 0.699 5.170 4.470 0.001 0.000 0.268 126 S C -0.203 174.363 174.600 -0.056 0.000 1.156 126 S CA -0.639 57.514 58.200 -0.078 0.000 0.817 126 S CB 0.519 63.650 63.200 -0.115 0.000 1.122 126 S HN 1.473 nan 8.310 nan 0.000 0.466 127 G N 0.019 108.744 108.800 -0.124 0.000 2.432 127 G HA2 0.544 4.505 3.960 0.001 0.000 0.257 127 G HA3 0.544 4.505 3.960 0.001 0.000 0.257 127 G C -1.291 173.404 174.900 -0.340 0.000 1.238 127 G CA -0.420 44.581 45.100 -0.164 0.000 0.838 127 G HN 0.525 nan 8.290 nan 0.000 0.547 128 L N 2.244 123.344 121.223 -0.204 0.000 2.294 128 L HA 0.501 4.842 4.340 0.001 0.000 0.283 128 L C -0.537 176.427 176.870 0.158 0.000 1.015 128 L CA -0.553 54.204 54.840 -0.138 0.000 0.831 128 L CB 0.561 42.537 42.059 -0.138 0.000 1.217 128 L HN 0.441 nan 8.230 nan 0.000 0.420 129 F N 3.402 123.426 119.950 0.123 0.000 2.495 129 F HA 0.737 5.264 4.527 0.001 0.000 0.327 129 F C -0.196 175.732 175.800 0.213 0.000 1.103 129 F CA -1.272 56.827 58.000 0.165 0.000 0.949 129 F CB 2.238 41.331 39.000 0.156 0.000 1.142 129 F HN -0.023 nan 8.300 nan 0.000 0.457 130 V N 2.142 122.287 119.914 0.384 0.000 2.668 130 V HA 0.139 4.260 4.120 0.001 0.000 0.304 130 V C -0.826 175.429 176.094 0.269 0.000 1.071 130 V CA -1.109 61.392 62.300 0.334 0.000 0.894 130 V CB 2.064 34.074 31.823 0.310 0.000 1.008 130 V HN 0.606 nan 8.190 nan 0.000 0.425 131 D N 3.855 124.410 120.400 0.259 0.000 2.349 131 D HA 0.173 4.813 4.640 0.001 0.000 0.266 131 D C -0.002 176.353 176.300 0.091 0.000 1.293 131 D CA 0.395 54.486 54.000 0.151 0.000 0.926 131 D CB 1.561 42.464 40.800 0.171 0.000 1.090 131 D HN 0.229 nan 8.370 nan 0.000 0.502 132 V N 3.262 123.181 119.914 0.008 0.000 2.644 132 V HA 0.302 4.422 4.120 0.001 0.000 0.295 132 V C 0.691 176.703 176.094 -0.137 0.000 1.053 132 V CA -0.490 61.715 62.300 -0.157 0.000 0.987 132 V CB 1.778 33.484 31.823 -0.194 0.000 1.006 132 V HN 0.328 nan 8.190 nan 0.000 0.472 165 V N 2.679 122.515 119.914 -0.130 0.000 2.680 165 V HA 0.452 4.572 4.120 0.001 0.000 0.309 165 V C -0.690 175.453 176.094 0.081 0.000 1.052 165 V CA -0.838 61.431 62.300 -0.052 0.000 0.908 165 V CB 1.420 33.276 31.823 0.054 0.000 1.001 165 V HN 0.231 nan 8.190 nan 0.000 0.431 166 F N 5.617 125.555 119.950 -0.020 0.000 2.438 166 F HA 0.600 5.127 4.527 0.001 0.000 0.356 166 F C 0.080 176.036 175.800 0.261 0.000 1.099 166 F CA -0.713 57.460 58.000 0.288 0.000 1.185 166 F CB 0.481 39.627 39.000 0.243 0.000 1.115 166 F HN 0.357 nan 8.300 nan 0.000 0.526 167 I N 6.938 127.268 120.570 -0.400 0.000 2.871 167 I HA 0.412 4.582 4.170 0.001 0.000 0.284 167 I C 0.310 176.138 176.117 -0.482 0.000 1.390 167 I CA -0.361 60.743 61.300 -0.327 0.000 0.958 167 I CB 0.358 38.376 38.000 0.031 0.000 1.618 167 I HN 0.927 nan 8.210 nan 0.000 0.595 168 G N 3.383 111.651 108.800 -0.886 0.000 2.855 168 G HA2 -0.197 3.763 3.960 0.001 0.000 0.352 168 G HA3 -0.197 3.763 3.960 0.001 0.000 0.352 168 G C -0.578 174.164 174.900 -0.264 0.000 1.415 168 G CA -0.769 44.072 45.100 -0.433 0.000 0.871 168 G HN 0.548 nan 8.290 nan 0.000 0.543 169 R N -0.850 119.632 120.500 -0.030 0.000 2.480 169 R HA 0.530 4.870 4.340 0.001 0.000 0.306 169 R C -0.565 175.731 176.300 -0.007 0.000 0.958 169 R CA -0.913 55.206 56.100 0.031 0.000 0.861 169 R CB 1.814 32.185 30.300 0.118 0.000 1.171 169 R HN 0.648 nan 8.270 nan 0.000 0.445 170 L N 5.300 126.505 121.223 -0.031 0.000 2.255 170 L HA 0.437 4.777 4.340 0.001 0.000 0.289 170 L C -2.369 174.567 176.870 0.110 0.000 1.046 170 L CA -2.134 52.710 54.840 0.007 0.000 0.816 170 L CB 0.803 42.838 42.059 -0.040 0.000 1.197 170 L HN 0.435 nan 8.230 nan 0.000 0.427 171 P HA 0.053 nan 4.420 nan 0.000 0.262 171 P C -0.329 177.174 177.300 0.339 0.000 1.199 171 P CA 0.389 63.632 63.100 0.237 0.000 0.763 171 P CB 0.388 32.249 31.700 0.267 0.000 0.790 172 I N 4.067 124.730 120.570 0.155 0.000 2.472 172 I HA 0.233 4.404 4.170 0.001 0.000 0.290 172 I C 1.340 177.219 176.117 -0.397 0.000 1.016 172 I CA -0.744 60.593 61.300 0.061 0.000 1.348 172 I CB 0.854 38.862 38.000 0.012 0.000 1.417 172 I HN 0.271 nan 8.210 nan 0.000 0.521 173 M N 6.175 125.063 119.600 -1.187 0.000 2.162 173 M HA 0.236 4.716 4.480 0.001 0.000 0.356 173 M C -0.833 175.102 176.300 -0.608 0.000 1.303 173 M CA -0.687 53.708 55.300 -1.508 0.000 1.116 173 M CB 0.650 32.032 32.600 -2.031 0.000 1.632 173 M HN 0.339 nan 8.290 nan 0.000 0.469 174 L N 5.434 126.317 121.223 -0.567 0.000 2.514 174 L HA 0.032 4.372 4.340 0.001 0.000 0.280 174 L C 1.078 177.765 176.870 -0.305 0.000 1.223 174 L CA 1.035 55.620 54.840 -0.425 0.000 0.864 174 L CB -0.057 41.551 42.059 -0.752 0.000 1.118 174 L HN 0.912 nan 8.230 nan 0.000 0.494 175 R N -0.374 120.041 120.500 -0.141 0.000 3.878 175 R HA -0.173 4.167 4.340 0.001 0.000 0.330 175 R C 0.075 176.367 176.300 -0.012 0.000 1.186 175 R CA 0.927 56.990 56.100 -0.063 0.000 0.885 175 R CB -1.663 28.585 30.300 -0.086 0.000 1.377 175 R HN 0.915 nan 8.270 nan 0.000 0.523 176 S N -1.788 113.926 115.700 0.025 0.000 2.647 176 S HA 0.387 4.857 4.470 0.001 0.000 0.284 176 S C 1.126 175.782 174.600 0.093 0.000 1.134 176 S CA -0.536 57.730 58.200 0.109 0.000 1.027 176 S CB 1.157 64.528 63.200 0.285 0.000 1.180 176 S HN 0.227 nan 8.310 nan 0.000 0.521 177 K N 0.285 120.738 120.400 0.088 0.000 2.148 177 K HA 0.003 4.323 4.320 0.001 0.000 0.204 177 K C 1.223 177.828 176.600 0.008 0.000 1.050 177 K CA 1.385 57.691 56.287 0.031 0.000 0.942 177 K CB -0.401 32.099 32.500 -0.000 0.000 0.724 177 K HN 0.490 nan 8.250 nan 0.000 0.446 178 N N -0.321 118.399 118.700 0.034 0.000 2.412 178 N HA -0.023 4.717 4.740 0.001 0.000 0.184 178 N C -0.241 175.277 175.510 0.013 0.000 1.101 178 N CA 0.136 53.178 53.050 -0.014 0.000 0.881 178 N CB 0.299 38.784 38.487 -0.003 0.000 0.969 178 N HN 0.098 nan 8.380 nan 0.000 0.459 179 C N 1.083 120.455 119.300 0.120 0.000 2.394 179 C HA 0.174 4.635 4.460 0.001 0.000 0.362 179 C C 1.501 176.639 174.990 0.247 0.000 1.268 179 C CA -0.749 58.445 59.018 0.293 0.000 1.828 179 C CB -1.399 26.489 27.740 0.247 0.000 2.442 179 C HN 0.475 nan 8.230 nan 0.000 0.549 180 Y N 3.803 124.144 120.300 0.068 0.000 2.173 180 Y HA -0.240 4.310 4.550 0.001 0.000 0.282 180 Y C 2.127 178.064 175.900 0.061 0.000 1.192 180 Y CA 2.087 60.194 58.100 0.012 0.000 1.176 180 Y CB -0.760 37.629 38.460 -0.118 0.000 0.969 180 Y HN 0.688 nan 8.280 nan 0.000 0.519 181 L N -0.323 121.044 121.223 0.239 0.000 2.042 181 L HA -0.285 4.055 4.340 0.001 0.000 0.210 181 L C 2.613 179.538 176.870 0.092 0.000 1.076 181 L CA 1.646 56.568 54.840 0.137 0.000 0.749 181 L CB -1.245 40.853 42.059 0.065 0.000 0.893 181 L HN 0.376 nan 8.230 nan 0.000 0.432 182 S N 0.250 115.996 115.700 0.076 0.000 2.393 182 S HA -0.324 4.146 4.470 0.001 0.000 0.234 182 S C 1.719 176.350 174.600 0.053 0.000 1.064 182 S CA 2.087 60.319 58.200 0.054 0.000 1.088 182 S CB -0.541 62.687 63.200 0.046 0.000 0.939 182 S HN 0.555 nan 8.310 nan 0.000 0.448 183 E N 2.054 122.287 120.200 0.056 0.000 2.051 183 E HA 0.343 4.694 4.350 0.001 0.000 0.189 183 E C 1.286 177.923 176.600 0.062 0.000 0.979 183 E CA 0.429 56.860 56.400 0.051 0.000 0.803 183 E CB -0.391 29.332 29.700 0.039 0.000 0.761 183 E HN 0.717 nan 8.360 nan 0.000 0.451 184 A N 1.459 124.332 122.820 0.087 0.000 2.615 184 A HA 0.056 4.377 4.320 0.001 0.000 0.230 184 A C 0.652 178.272 177.584 0.060 0.000 1.062 184 A CA 0.869 52.959 52.037 0.088 0.000 0.758 184 A CB -0.151 18.922 19.000 0.122 0.000 0.995 184 A HN 0.286 nan 8.150 nan 0.000 0.511 185 T N -1.108 113.475 114.554 0.049 0.000 2.841 185 T HA 0.532 4.883 4.350 0.001 0.000 0.276 185 T C 0.905 175.622 174.700 0.028 0.000 1.003 185 T CA 0.215 62.332 62.100 0.028 0.000 0.995 185 T CB 0.892 69.769 68.868 0.014 0.000 1.260 185 T HN 0.715 nan 8.240 nan 0.000 0.581 186 E N 1.098 121.299 120.200 0.002 0.000 2.041 186 E HA -0.291 4.059 4.350 0.001 0.000 0.227 186 E C 2.269 178.880 176.600 0.018 0.000 1.039 186 E CA 3.145 59.544 56.400 -0.003 0.000 0.904 186 E CB -0.851 28.802 29.700 -0.078 0.000 0.808 186 E HN 0.778 nan 8.360 nan 0.000 0.510 187 S N 0.406 116.064 115.700 -0.071 0.000 2.381 187 S HA -0.348 4.123 4.470 0.001 0.000 0.230 187 S C 1.910 176.515 174.600 0.008 0.000 1.052 187 S CA 1.748 59.895 58.200 -0.087 0.000 1.068 187 S CB -1.012 62.138 63.200 -0.084 0.000 0.918 187 S HN 0.409 nan 8.310 nan 0.000 0.448 188 D N 1.671 122.086 120.400 0.025 0.000 2.160 188 D HA -0.137 4.504 4.640 0.001 0.000 0.189 188 D C 2.005 178.349 176.300 0.073 0.000 1.003 188 D CA 1.861 55.890 54.000 0.048 0.000 0.846 188 D CB -0.381 40.454 40.800 0.058 0.000 0.949 188 D HN 0.417 nan 8.370 nan 0.000 0.446 189 L N -0.299 120.985 121.223 0.103 0.000 1.943 189 L HA -0.261 4.080 4.340 0.001 0.000 0.215 189 L C 2.694 179.626 176.870 0.103 0.000 1.074 189 L CA 1.400 56.298 54.840 0.096 0.000 0.759 189 L CB -0.954 41.152 42.059 0.078 0.000 0.888 189 L HN 0.124 nan 8.230 nan 0.000 0.433 190 Y N 0.505 120.768 120.300 -0.061 0.000 2.172 190 Y HA -0.346 4.205 4.550 0.001 0.000 0.280 190 Y C 2.481 178.338 175.900 -0.072 0.000 1.209 190 Y CA 1.577 59.635 58.100 -0.070 0.000 1.171 190 Y CB -0.670 37.745 38.460 -0.075 0.000 0.965 190 Y HN 0.164 nan 8.280 nan 0.000 0.520 191 K N -0.228 120.231 120.400 0.097 0.000 2.555 191 K HA -0.015 4.305 4.320 0.001 0.000 0.193 191 K C 1.109 177.675 176.600 -0.057 0.000 1.032 191 K CA 0.590 56.882 56.287 0.007 0.000 1.004 191 K CB -0.145 32.350 32.500 -0.009 0.000 0.804 191 K HN 0.362 nan 8.250 nan 0.000 0.496 192 L N -0.552 120.640 121.223 -0.052 0.000 2.731 192 L HA 0.127 4.467 4.340 0.001 0.000 0.240 192 L C 0.485 177.301 176.870 -0.089 0.000 1.120 192 L CA 0.062 54.838 54.840 -0.106 0.000 0.913 192 L CB 0.253 42.281 42.059 -0.052 0.000 1.213 192 L HN 0.022 nan 8.230 nan 0.000 0.515 193 K N -1.098 119.252 120.400 -0.084 0.000 3.610 193 K HA -0.167 4.154 4.320 0.001 0.000 0.283 193 K C 0.225 176.737 176.600 -0.148 0.000 1.210 193 K CA 0.889 57.107 56.287 -0.114 0.000 1.026 193 K CB -0.749 31.697 32.500 -0.089 0.000 1.295 193 K HN 0.174 nan 8.250 nan 0.000 0.468 194 E N 1.471 121.600 120.200 -0.118 0.000 2.366 194 E HA 0.005 4.356 4.350 0.001 0.000 0.266 194 E C -0.116 176.367 176.600 -0.194 0.000 1.015 194 E CA 0.086 56.422 56.400 -0.107 0.000 0.906 194 E CB 0.895 30.562 29.700 -0.054 0.000 0.979 194 E HN 0.257 nan 8.360 nan 0.000 0.443 195 C N 7.837 127.032 119.300 -0.176 0.000 2.633 195 C HA 0.083 4.543 4.460 0.001 0.000 0.415 195 C C -0.584 174.316 174.990 -0.151 0.000 1.393 195 C CA -1.508 57.369 59.018 -0.235 0.000 1.700 195 C CB -0.052 27.621 27.740 -0.111 0.000 2.541 195 C HN 0.612 nan 8.230 nan 0.000 0.603 196 P HA -0.138 nan 4.420 nan 0.000 0.218 196 P C 1.364 178.572 177.300 -0.153 0.000 1.149 196 P CA 1.723 64.728 63.100 -0.159 0.000 0.817 196 P CB -0.099 31.517 31.700 -0.140 0.000 0.785 197 F N 0.343 120.253 119.950 -0.067 0.000 2.365 197 F HA -0.063 4.464 4.527 0.001 0.000 0.300 197 F C 1.366 177.214 175.800 0.079 0.000 1.090 197 F CA 0.117 58.069 58.000 -0.079 0.000 1.408 197 F CB -0.581 38.262 39.000 -0.262 0.000 1.060 197 F HN -0.057 nan 8.300 nan 0.000 0.534 198 D N 0.508 121.064 120.400 0.261 0.000 2.449 198 D HA -0.066 4.574 4.640 0.001 0.000 0.236 198 D C 0.938 177.382 176.300 0.240 0.000 1.149 198 D CA 0.322 54.496 54.000 0.290 0.000 0.878 198 D CB 0.669 41.588 40.800 0.198 0.000 1.198 198 D HN 0.036 nan 8.370 nan 0.000 0.446 199 M N 1.190 120.934 119.600 0.239 0.000 2.306 199 M HA 0.325 4.805 4.480 0.001 0.000 0.292 199 M C 0.813 177.160 176.300 0.078 0.000 1.018 199 M CA 0.294 55.683 55.300 0.149 0.000 1.007 199 M CB -0.676 32.007 32.600 0.138 0.000 1.510 199 M HN 0.394 nan 8.290 nan 0.000 0.537 200 G N 1.612 110.469 108.800 0.095 0.000 2.622 200 G HA2 0.051 4.011 3.960 0.001 0.000 0.272 200 G HA3 0.051 4.011 3.960 0.001 0.000 0.272 200 G C 0.693 175.537 174.900 -0.093 0.000 1.308 200 G CA 1.008 46.002 45.100 -0.178 0.000 0.919 200 G HN 1.784 nan 8.290 nan 0.000 0.565 201 G N -3.341 105.285 108.800 -0.290 0.000 2.179 201 G HA2 0.253 4.214 3.960 0.001 0.000 0.220 201 G HA3 0.253 4.214 3.960 0.001 0.000 0.220 201 G C 0.197 175.026 174.900 -0.118 0.000 0.990 201 G CA 1.210 46.211 45.100 -0.164 0.000 0.646 201 G HN 2.394 nan 8.290 nan 0.000 0.517 202 Y N -0.931 119.269 120.300 -0.168 0.000 2.570 202 Y HA 0.856 5.406 4.550 0.001 0.000 0.345 202 Y C -0.101 175.732 175.900 -0.111 0.000 1.014 202 Y CA -2.832 55.232 58.100 -0.061 0.000 1.063 202 Y CB 0.783 39.224 38.460 -0.033 0.000 1.272 202 Y HN -0.042 nan 8.280 nan 0.000 0.477 203 F N 1.379 121.366 119.950 0.062 0.000 2.375 203 F HA 0.598 5.125 4.527 0.001 0.000 0.317 203 F C 0.056 175.948 175.800 0.154 0.000 1.124 203 F CA -1.421 56.592 58.000 0.020 0.000 1.050 203 F CB 0.784 39.781 39.000 -0.004 0.000 1.314 203 F HN 0.381 nan 8.300 nan 0.000 0.511 204 I N 2.697 123.465 120.570 0.330 0.000 2.623 204 I HA 0.231 4.402 4.170 0.001 0.000 0.275 204 I C -1.317 174.922 176.117 0.202 0.000 1.108 204 I CA -0.261 61.184 61.300 0.241 0.000 1.120 204 I CB 0.650 38.753 38.000 0.173 0.000 1.249 204 I HN 0.221 nan 8.210 nan 0.000 0.500 205 I N 4.899 125.566 120.570 0.162 0.000 2.385 205 I HA 0.268 4.439 4.170 0.001 0.000 0.294 205 I C 1.059 177.216 176.117 0.068 0.000 0.988 205 I CA -0.298 61.067 61.300 0.107 0.000 1.265 205 I CB 0.581 38.626 38.000 0.074 0.000 1.388 205 I HN 0.385 nan 8.210 nan 0.000 0.480 206 N N 5.317 124.046 118.700 0.048 0.000 2.701 206 N HA -0.262 4.479 4.740 0.001 0.000 0.257 206 N C 1.071 176.595 175.510 0.023 0.000 0.969 206 N CA 1.223 54.284 53.050 0.019 0.000 0.786 206 N CB -0.520 37.970 38.487 0.004 0.000 0.917 206 N HN 1.122 nan 8.380 nan 0.000 0.541 207 G N -1.981 106.843 108.800 0.040 0.000 2.490 207 G HA2 -0.328 3.633 3.960 0.001 0.000 0.214 207 G HA3 -0.328 3.633 3.960 0.001 0.000 0.214 207 G C 0.114 175.055 174.900 0.068 0.000 1.151 207 G CA 0.515 45.647 45.100 0.054 0.000 0.684 207 G HN 1.092 nan 8.290 nan 0.000 0.518 208 S N 0.950 116.685 115.700 0.059 0.000 2.632 208 S HA 0.627 5.097 4.470 0.001 0.000 0.271 208 S C -0.176 174.465 174.600 0.069 0.000 1.260 208 S CA -0.255 57.974 58.200 0.048 0.000 1.010 208 S CB 1.889 65.104 63.200 0.026 0.000 0.965 208 S HN 0.500 nan 8.310 nan 0.000 0.534 209 E N 1.621 121.840 120.200 0.031 0.000 2.070 209 E HA 0.177 4.527 4.350 0.001 0.000 0.282 209 E C -0.413 176.205 176.600 0.031 0.000 1.104 209 E CA -0.289 56.130 56.400 0.032 0.000 0.876 209 E CB 0.460 30.021 29.700 -0.231 0.000 1.055 209 E HN 0.304 nan 8.360 nan 0.000 0.401 210 K N 2.306 122.787 120.400 0.134 0.000 2.159 210 K HA 0.375 4.695 4.320 0.001 0.000 0.266 210 K C -0.635 176.033 176.600 0.113 0.000 0.975 210 K CA -0.774 55.562 56.287 0.081 0.000 0.865 210 K CB 1.987 34.521 32.500 0.057 0.000 1.087 210 K HN 0.210 nan 8.250 nan 0.000 0.446 211 V N 4.714 124.617 119.914 -0.019 0.000 2.357 211 V HA 0.335 4.455 4.120 0.001 0.000 0.284 211 V C 0.267 176.300 176.094 -0.103 0.000 1.018 211 V CA -0.924 61.335 62.300 -0.067 0.000 0.841 211 V CB 1.305 32.913 31.823 -0.357 0.000 0.991 211 V HN 0.569 nan 8.190 nan 0.000 0.437 212 L N 5.643 126.831 121.223 -0.058 0.000 2.367 212 L HA 0.394 4.734 4.340 0.001 0.000 0.275 212 L C -0.296 176.491 176.870 -0.138 0.000 1.129 212 L CA -0.162 54.586 54.840 -0.153 0.000 0.839 212 L CB 0.805 42.789 42.059 -0.126 0.000 1.133 212 L HN 0.419 nan 8.230 nan 0.000 0.453 213 I N 2.699 123.162 120.570 -0.179 0.000 2.437 213 I HA 0.302 4.473 4.170 0.001 0.000 0.298 213 I C 0.750 176.794 176.117 -0.121 0.000 0.984 213 I CA -0.624 60.602 61.300 -0.124 0.000 1.214 213 I CB 1.621 39.569 38.000 -0.087 0.000 1.365 213 I HN 0.621 nan 8.210 nan 0.000 0.469 214 A N 6.579 129.355 122.820 -0.072 0.000 2.609 214 A HA 0.011 4.331 4.320 0.001 0.000 0.232 214 A C 0.249 177.792 177.584 -0.069 0.000 1.041 214 A CA 0.310 52.314 52.037 -0.055 0.000 0.753 214 A CB -0.080 18.907 19.000 -0.022 0.000 0.966 214 A HN 0.676 nan 8.150 nan 0.000 0.510 215 Q N 1.541 121.301 119.800 -0.067 0.000 2.907 215 Q HA 0.165 4.506 4.340 0.001 0.000 0.262 215 Q C -0.245 175.732 176.000 -0.038 0.000 0.997 215 Q CA -0.182 55.579 55.803 -0.070 0.000 0.797 215 Q CB 0.935 29.604 28.738 -0.115 0.000 1.228 215 Q HN 0.978 nan 8.270 nan 0.000 0.466 216 E N 2.372 122.565 120.200 -0.011 0.000 2.537 216 E HA 0.020 4.370 4.350 0.001 0.000 0.269 216 E C -0.351 176.246 176.600 -0.007 0.000 1.038 216 E CA 0.636 57.041 56.400 0.007 0.000 0.977 216 E CB 0.528 30.267 29.700 0.064 0.000 0.973 216 E HN 0.390 nan 8.360 nan 0.000 0.456 217 R N 0.741 121.231 120.500 -0.016 0.000 2.739 217 R HA 0.241 4.581 4.340 0.001 0.000 0.266 217 R C -1.478 174.801 176.300 -0.034 0.000 1.044 217 R CA -0.663 55.425 56.100 -0.019 0.000 0.885 217 R CB 0.604 30.893 30.300 -0.019 0.000 1.260 217 R HN 0.237 nan 8.270 nan 0.000 0.477 218 S N 1.014 116.699 115.700 -0.025 0.000 2.516 218 S HA 0.528 4.998 4.470 0.001 0.000 0.282 218 S C 0.409 174.976 174.600 -0.054 0.000 1.286 218 S CA 0.217 58.397 58.200 -0.034 0.000 1.066 218 S CB -0.046 63.148 63.200 -0.011 0.000 0.884 218 S HN 0.804 nan 8.310 nan 0.000 0.491 219 A N 4.204 126.970 122.820 -0.090 0.000 2.475 219 A HA 0.535 4.855 4.320 0.001 0.000 0.239 219 A C 0.871 178.394 177.584 -0.101 0.000 1.087 219 A CA 0.263 52.226 52.037 -0.124 0.000 0.779 219 A CB -0.297 18.583 19.000 -0.200 0.000 1.036 219 A HN 0.958 nan 8.150 nan 0.000 0.506 220 G N -1.110 107.622 108.800 -0.113 0.000 2.667 220 G HA2 0.469 4.429 3.960 0.001 0.000 0.310 220 G HA3 0.469 4.429 3.960 0.001 0.000 0.310 220 G C -0.289 174.533 174.900 -0.131 0.000 1.259 220 G CA -0.387 44.655 45.100 -0.096 0.000 1.019 220 G HN 1.020 nan 8.290 nan 0.000 0.496 221 N N -1.125 117.484 118.700 -0.152 0.000 2.714 221 N HA -0.158 4.583 4.740 0.001 0.000 0.253 221 N C -0.556 174.873 175.510 -0.136 0.000 1.024 221 N CA 1.135 54.029 53.050 -0.260 0.000 0.726 221 N CB -1.169 37.118 38.487 -0.333 0.000 0.908 221 N HN 0.550 nan 8.380 nan 0.000 0.542 222 I N -1.008 119.516 120.570 -0.077 0.000 2.894 222 I HA 0.373 4.543 4.170 0.001 0.000 0.302 222 I C 0.175 176.265 176.117 -0.045 0.000 1.188 222 I CA -1.352 59.922 61.300 -0.043 0.000 1.014 222 I CB 2.429 40.389 38.000 -0.066 0.000 1.242 222 I HN -0.148 nan 8.210 nan 0.000 0.430 223 V N 1.879 121.750 119.914 -0.072 0.000 2.407 223 V HA 0.596 4.716 4.120 0.001 0.000 0.278 223 V C -0.523 175.449 176.094 -0.204 0.000 1.037 223 V CA -0.389 61.824 62.300 -0.144 0.000 0.900 223 V CB 0.968 32.672 31.823 -0.199 0.000 0.983 223 V HN 0.790 nan 8.190 nan 0.000 0.459 224 Q N 2.666 122.286 119.800 -0.300 0.000 2.416 224 Q HA 0.787 5.127 4.340 0.001 0.000 0.281 224 Q C -1.285 174.251 176.000 -0.773 0.000 1.067 224 Q CA -0.982 54.550 55.803 -0.453 0.000 0.809 224 Q CB 3.232 31.750 28.738 -0.367 0.000 1.418 224 Q HN 0.907 nan 8.270 nan 0.000 0.411 225 V N -1.333 118.125 119.914 -0.759 0.000 2.604 225 V HA 0.770 4.890 4.120 0.001 0.000 0.305 225 V C -1.096 174.651 176.094 -0.579 0.000 1.043 225 V CA -0.682 61.226 62.300 -0.653 0.000 0.888 225 V CB 1.004 32.642 31.823 -0.309 0.000 0.995 225 V HN 0.681 nan 8.190 nan 0.000 0.429 226 F N 1.453 121.334 119.950 -0.117 0.000 2.557 226 F HA 0.583 5.110 4.527 0.001 0.000 0.316 226 F C 0.383 176.068 175.800 -0.191 0.000 1.141 226 F CA -1.071 56.847 58.000 -0.136 0.000 0.922 226 F CB 2.277 41.226 39.000 -0.084 0.000 1.194 226 F HN 0.411 nan 8.300 nan 0.000 0.443 227 K N 2.584 122.937 120.400 -0.078 0.000 2.276 227 K HA 0.293 4.614 4.320 0.001 0.000 0.259 227 K C -0.293 176.303 176.600 -0.006 0.000 1.001 227 K CA -0.557 55.617 56.287 -0.188 0.000 0.927 227 K CB 0.679 33.066 32.500 -0.188 0.000 0.969 227 K HN 0.381 nan 8.250 nan 0.000 0.490 228 K N 0.770 121.191 120.400 0.036 0.000 2.259 228 K HA 0.356 4.676 4.320 0.001 0.000 0.249 228 K C -0.369 176.244 176.600 0.022 0.000 0.942 228 K CA -0.663 55.642 56.287 0.031 0.000 0.816 228 K CB 1.934 34.453 32.500 0.031 0.000 1.155 228 K HN 0.762 nan 8.250 nan 0.000 0.428 229 A N 1.146 123.969 122.820 0.005 0.000 2.552 229 A HA 0.155 4.475 4.320 0.001 0.000 0.241 229 A C 1.314 178.902 177.584 0.006 0.000 1.103 229 A CA 1.047 53.084 52.037 0.001 0.000 0.789 229 A CB -0.179 18.817 19.000 -0.007 0.000 1.050 229 A HN 0.808 nan 8.150 nan 0.000 0.515 230 A N 0.420 123.243 122.820 0.005 0.000 2.125 230 A HA 0.112 4.433 4.320 0.001 0.000 0.219 230 A C -0.924 176.659 177.584 -0.001 0.000 1.156 230 A CA 1.388 53.428 52.037 0.006 0.000 0.671 230 A CB -0.976 18.027 19.000 0.005 0.000 0.794 230 A HN 0.695 nan 8.150 nan 0.000 0.459 231 P HA 0.430 nan 4.420 nan 0.000 0.231 231 P C -0.837 176.454 177.300 -0.017 0.000 1.772 231 P CA 0.105 63.199 63.100 -0.009 0.000 1.167 231 P CB 0.653 32.348 31.700 -0.008 0.000 1.691 232 S N 3.630 119.317 115.700 -0.023 0.000 2.683 232 S HA 0.382 4.853 4.470 0.001 0.000 0.278 232 S C -2.585 171.978 174.600 -0.062 0.000 1.059 232 S CA -0.724 57.450 58.200 -0.043 0.000 0.847 232 S CB 1.063 64.235 63.200 -0.047 0.000 1.078 232 S HN 0.139 nan 8.310 nan 0.000 0.456 233 P HA 0.337 nan 4.420 nan 0.000 0.245 233 P C -0.074 177.076 177.300 -0.250 0.000 1.199 233 P CA 0.204 63.218 63.100 -0.144 0.000 0.807 233 P CB -0.037 31.572 31.700 -0.151 0.000 1.002 234 I N 0.903 121.311 120.570 -0.270 0.000 2.312 234 I HA 0.113 4.284 4.170 0.001 0.000 0.291 234 I C 1.883 177.955 176.117 -0.074 0.000 1.031 234 I CA 0.055 61.200 61.300 -0.257 0.000 1.293 234 I CB 0.874 38.727 38.000 -0.246 0.000 1.403 234 I HN -0.141 nan 8.210 nan 0.000 0.484 235 S N 6.107 121.789 115.700 -0.030 0.000 2.326 235 S HA 0.063 4.534 4.470 0.001 0.000 0.211 235 S C 0.664 175.438 174.600 0.290 0.000 1.031 235 S CA 1.032 59.264 58.200 0.053 0.000 0.985 235 S CB -0.011 63.120 63.200 -0.115 0.000 0.961 235 S HN 0.656 nan 8.310 nan 0.000 0.436 236 H N -1.472 117.585 119.070 -0.021 0.000 2.797 236 H HA 0.742 5.299 4.556 0.001 0.000 0.362 236 H C -1.410 173.897 175.328 -0.035 0.000 1.183 236 H CA -1.304 54.730 56.048 -0.024 0.000 1.197 236 H CB 2.012 31.753 29.762 -0.036 0.000 1.835 236 H HN 0.187 nan 8.280 nan 0.000 0.567 237 V N 0.362 120.314 119.914 0.063 0.000 3.012 237 V HA 0.514 4.635 4.120 0.001 0.000 0.307 237 V C -1.025 174.969 176.094 -0.166 0.000 1.166 237 V CA -0.896 61.389 62.300 -0.026 0.000 0.974 237 V CB 1.923 33.744 31.823 -0.003 0.000 1.040 237 V HN 0.906 nan 8.190 nan 0.000 0.428 238 A N 2.635 125.354 122.820 -0.168 0.000 2.310 238 A HA 0.792 5.113 4.320 0.001 0.000 0.304 238 A C -0.460 177.001 177.584 -0.206 0.000 1.231 238 A CA -0.481 51.402 52.037 -0.258 0.000 0.799 238 A CB 0.590 19.463 19.000 -0.213 0.000 1.162 238 A HN 0.823 nan 8.150 nan 0.000 0.486 239 E N 1.178 121.218 120.200 -0.266 0.000 2.214 239 E HA 0.650 5.000 4.350 0.001 0.000 0.274 239 E C -1.207 175.331 176.600 -0.104 0.000 0.977 239 E CA -0.523 55.796 56.400 -0.135 0.000 0.827 239 E CB 2.518 32.184 29.700 -0.057 0.000 1.130 239 E HN 0.646 nan 8.360 nan 0.000 0.394 240 I N 1.506 122.050 120.570 -0.044 0.000 2.610 240 I HA 0.258 4.428 4.170 0.001 0.000 0.289 240 I C -1.211 174.895 176.117 -0.018 0.000 1.163 240 I CA -0.624 60.664 61.300 -0.019 0.000 1.044 240 I CB 1.170 39.200 38.000 0.050 0.000 1.251 240 I HN 0.416 nan 8.210 nan 0.000 0.424 241 R N 5.309 125.790 120.500 -0.031 0.000 2.391 241 R HA 0.280 4.621 4.340 0.001 0.000 0.310 241 R C -0.174 176.095 176.300 -0.052 0.000 1.174 241 R CA -0.365 55.720 56.100 -0.026 0.000 1.118 241 R CB 0.685 30.974 30.300 -0.018 0.000 1.134 241 R HN 0.649 nan 8.270 nan 0.000 0.524 242 S N 1.109 116.792 115.700 -0.028 0.000 2.499 242 S HA 0.608 5.078 4.470 0.001 0.000 0.275 242 S C -0.013 174.612 174.600 0.043 0.000 1.257 242 S CA -0.798 57.391 58.200 -0.018 0.000 1.050 242 S CB 1.783 65.027 63.200 0.074 0.000 0.937 242 S HN 0.587 nan 8.310 nan 0.000 0.490 243 A N 4.171 127.013 122.820 0.036 0.000 2.429 243 A HA 0.526 4.846 4.320 0.001 0.000 0.289 243 A C -0.326 177.297 177.584 0.065 0.000 1.043 243 A CA -0.840 51.239 52.037 0.071 0.000 0.722 243 A CB 0.724 19.752 19.000 0.048 0.000 1.243 243 A HN 0.904 nan 8.150 nan 0.000 0.415 244 L N 3.077 124.340 121.223 0.067 0.000 2.745 244 L HA -0.045 4.295 4.340 0.001 0.000 0.273 244 L C 1.528 178.416 176.870 0.031 0.000 1.156 244 L CA 0.112 54.972 54.840 0.032 0.000 0.982 244 L CB 0.132 42.172 42.059 -0.032 0.000 1.295 244 L HN 0.928 nan 8.230 nan 0.000 0.483 245 E N 2.890 123.114 120.200 0.041 0.000 2.301 245 E HA -0.205 4.145 4.350 0.001 0.000 0.202 245 E C -0.206 176.418 176.600 0.039 0.000 1.017 245 E CA 1.327 57.752 56.400 0.042 0.000 0.831 245 E CB 0.030 29.762 29.700 0.053 0.000 0.742 245 E HN 0.533 nan 8.360 nan 0.000 0.491 246 K N -1.211 119.203 120.400 0.024 0.000 2.571 246 K HA 0.453 4.773 4.320 0.001 0.000 0.252 246 K C -0.901 175.688 176.600 -0.018 0.000 0.956 246 K CA -0.083 56.214 56.287 0.016 0.000 0.822 246 K CB 2.330 34.845 32.500 0.025 0.000 1.286 246 K HN 0.090 nan 8.250 nan 0.000 0.439 247 G N 1.250 110.030 108.800 -0.034 0.000 2.992 247 G HA2 -0.009 3.952 3.960 0.001 0.000 0.677 247 G HA3 -0.009 3.952 3.960 0.001 0.000 0.677 247 G C 0.163 174.967 174.900 -0.159 0.000 1.191 247 G CA 0.006 45.054 45.100 -0.087 0.000 1.178 247 G HN 0.790 nan 8.290 nan 0.000 0.506 248 S N 0.985 116.604 115.700 -0.135 0.000 2.723 248 S HA -0.347 4.124 4.470 0.001 0.000 0.261 248 S C 1.539 176.104 174.600 -0.058 0.000 1.294 248 S CA 2.606 60.710 58.200 -0.160 0.000 1.467 248 S CB -0.932 62.008 63.200 -0.434 0.000 1.849 248 S HN 2.233 nan 8.310 nan 0.000 0.672 249 R N 0.041 120.513 120.500 -0.046 0.000 3.034 249 R HA -0.153 4.187 4.340 0.001 0.000 0.237 249 R C 0.301 176.709 176.300 0.181 0.000 0.861 249 R CA 1.036 57.166 56.100 0.050 0.000 0.588 249 R CB -2.323 28.015 30.300 0.063 0.000 1.035 249 R HN 0.596 nan 8.270 nan 0.000 0.488 250 F N 0.238 120.208 119.950 0.032 0.000 2.586 250 F HA -0.010 4.518 4.527 0.001 0.000 0.344 250 F C 1.689 177.511 175.800 0.036 0.000 1.188 250 F CA -0.072 57.951 58.000 0.039 0.000 1.359 250 F CB 0.486 39.510 39.000 0.039 0.000 1.129 250 F HN 0.184 nan 8.300 nan 0.000 0.609 251 I N 2.444 123.135 120.570 0.201 0.000 2.917 251 I HA 0.044 4.215 4.170 0.001 0.000 0.292 251 I C -0.699 175.449 176.117 0.052 0.000 1.510 251 I CA -0.194 61.169 61.300 0.105 0.000 0.858 251 I CB 0.587 38.634 38.000 0.078 0.000 1.862 251 I HN 0.339 nan 8.210 nan 0.000 0.615 252 S N 0.662 116.394 115.700 0.053 0.000 2.525 252 S HA 0.583 5.054 4.470 0.001 0.000 0.278 252 S C 0.083 174.692 174.600 0.016 0.000 1.234 252 S CA -0.486 57.726 58.200 0.020 0.000 1.058 252 S CB 1.654 64.863 63.200 0.015 0.000 0.983 252 S HN 0.245 nan 8.310 nan 0.000 0.495 253 T N 3.089 117.644 114.554 0.002 0.000 2.907 253 T HA 0.509 4.859 4.350 0.001 0.000 0.284 253 T C -0.695 173.984 174.700 -0.035 0.000 1.004 253 T CA -0.534 61.560 62.100 -0.009 0.000 1.063 253 T CB 0.930 69.798 68.868 -0.000 0.000 0.992 253 T HN 0.568 nan 8.240 nan 0.000 0.483 254 L N 3.230 124.423 121.223 -0.051 0.000 2.298 254 L HA 0.418 4.758 4.340 0.001 0.000 0.284 254 L C -0.524 176.305 176.870 -0.068 0.000 1.013 254 L CA -0.127 54.654 54.840 -0.099 0.000 0.824 254 L CB 1.211 43.180 42.059 -0.150 0.000 1.221 254 L HN 0.576 nan 8.230 nan 0.000 0.418 255 Q N 4.190 123.956 119.800 -0.056 0.000 2.307 255 Q HA 0.544 4.885 4.340 0.001 0.000 0.262 255 Q C -1.229 174.757 176.000 -0.022 0.000 0.961 255 Q CA -0.749 55.036 55.803 -0.030 0.000 0.882 255 Q CB 2.650 31.387 28.738 -0.001 0.000 1.264 255 Q HN 0.481 nan 8.270 nan 0.000 0.446 256 V N 3.994 123.894 119.914 -0.024 0.000 2.266 256 V HA 0.204 4.324 4.120 0.001 0.000 0.271 256 V C 0.201 176.305 176.094 0.017 0.000 1.032 256 V CA -0.551 61.744 62.300 -0.008 0.000 0.806 256 V CB 0.571 32.375 31.823 -0.032 0.000 1.052 256 V HN 0.667 nan 8.190 nan 0.000 0.449 257 K N 2.751 123.192 120.400 0.068 0.000 2.916 257 K HA 0.597 4.917 4.320 0.001 0.000 0.320 257 K C -0.423 176.252 176.600 0.124 0.000 1.032 257 K CA -0.483 55.871 56.287 0.112 0.000 1.074 257 K CB 0.274 32.910 32.500 0.225 0.000 1.192 257 K HN 0.361 nan 8.250 nan 0.000 0.468 258 L N 0.361 121.703 121.223 0.198 0.000 2.986 258 L HA 0.166 4.507 4.340 0.001 0.000 0.224 258 L C -1.553 175.427 176.870 0.184 0.000 1.096 258 L CA -0.137 54.797 54.840 0.155 0.000 1.139 258 L CB -0.867 41.214 42.059 0.036 0.000 1.347 258 L HN 0.412 nan 8.230 nan 0.000 0.651 259 Y N 1.862 122.151 120.300 -0.019 0.000 2.341 259 Y HA 0.433 4.983 4.550 0.001 0.000 0.357 259 Y C 1.666 177.549 175.900 -0.028 0.000 1.261 259 Y CA 1.142 59.233 58.100 -0.014 0.000 1.547 259 Y CB 0.020 38.477 38.460 -0.005 0.000 1.363 259 Y HN 0.896 nan 8.280 nan 0.000 0.692 260 G N 1.641 110.521 108.800 0.133 0.000 3.320 260 G HA2 -0.199 3.762 3.960 0.001 0.000 0.430 260 G HA3 -0.199 3.762 3.960 0.001 0.000 0.430 260 G C 0.009 174.911 174.900 0.002 0.000 0.806 260 G CA -0.775 44.359 45.100 0.057 0.000 0.746 260 G HN 0.470 nan 8.290 nan 0.000 0.414 261 R N 1.162 121.659 120.500 -0.006 0.000 2.896 261 R HA 0.177 4.517 4.340 0.001 0.000 0.283 261 R C 1.129 177.413 176.300 -0.027 0.000 1.201 261 R CA -0.361 55.728 56.100 -0.018 0.000 1.178 261 R CB 0.062 30.360 30.300 -0.004 0.000 1.152 261 R HN 0.817 nan 8.270 nan 0.000 0.590 262 E N 0.232 120.417 120.200 -0.025 0.000 2.271 262 E HA 0.100 4.450 4.350 0.001 0.000 0.255 262 E C 0.357 176.949 176.600 -0.013 0.000 1.177 262 E CA 0.720 57.104 56.400 -0.027 0.000 0.946 262 E CB -0.272 29.420 29.700 -0.012 0.000 1.009 262 E HN 0.650 nan 8.360 nan 0.000 0.451 263 G N 3.201 111.992 108.800 -0.015 0.000 1.676 263 G HA2 -0.279 3.681 3.960 0.001 0.000 0.199 263 G HA3 -0.279 3.681 3.960 0.001 0.000 0.199 263 G C -0.099 174.801 174.900 -0.001 0.000 1.990 263 G CA -0.283 44.814 45.100 -0.005 0.000 1.393 263 G HN 1.063 nan 8.290 nan 0.000 0.449 264 S N 1.213 116.915 115.700 0.005 0.000 3.805 264 S HA 0.245 4.715 4.470 0.001 0.000 0.456 264 S C 0.711 175.318 174.600 0.012 0.000 1.125 264 S CA 0.970 59.176 58.200 0.011 0.000 0.905 264 S CB -0.256 62.955 63.200 0.018 0.000 0.653 264 S HN 2.292 nan 8.310 nan 0.000 0.483 265 S N 2.725 118.433 115.700 0.012 0.000 2.546 265 S HA 0.440 4.910 4.470 0.001 0.000 0.290 265 S C 0.762 175.370 174.600 0.014 0.000 1.290 265 S CA -0.359 57.848 58.200 0.011 0.000 1.069 265 S CB 0.128 63.334 63.200 0.011 0.000 0.846 265 S HN 2.519 nan 8.310 nan 0.000 0.495 266 A N 2.427 125.252 122.820 0.009 0.000 3.241 266 A HA -0.104 4.216 4.320 0.001 0.000 0.269 266 A C 0.301 177.895 177.584 0.015 0.000 1.343 266 A CA -0.080 51.962 52.037 0.008 0.000 0.742 266 A CB -2.041 16.964 19.000 0.010 0.000 1.041 266 A HN 0.850 nan 8.150 nan 0.000 0.450 267 R N 1.190 121.695 120.500 0.008 0.000 2.878 267 R HA 0.185 4.525 4.340 0.001 0.000 0.239 267 R C 0.810 177.117 176.300 0.012 0.000 1.515 267 R CA 0.761 56.870 56.100 0.015 0.000 1.210 267 R CB 0.065 30.356 30.300 -0.015 0.000 1.209 267 R HN 0.740 nan 8.270 nan 0.000 0.610 268 T N 1.799 116.361 114.554 0.014 0.000 2.899 268 T HA 0.307 4.658 4.350 0.001 0.000 0.295 268 T C 0.419 175.112 174.700 -0.012 0.000 1.033 268 T CA -0.350 61.731 62.100 -0.033 0.000 1.084 268 T CB 0.539 69.337 68.868 -0.117 0.000 0.979 268 T HN 0.356 nan 8.240 nan 0.000 0.532 269 I N 4.434 124.989 120.570 -0.025 0.000 2.354 269 I HA 0.402 4.573 4.170 0.001 0.000 0.286 269 I C 0.241 176.344 176.117 -0.024 0.000 1.007 269 I CA -0.702 60.604 61.300 0.010 0.000 1.167 269 I CB 1.244 39.258 38.000 0.022 0.000 1.320 269 I HN 0.560 nan 8.210 nan 0.000 0.458 270 K N 4.769 125.164 120.400 -0.008 0.000 2.328 270 K HA 0.896 5.216 4.320 0.001 0.000 0.246 270 K C -0.907 175.723 176.600 0.050 0.000 0.955 270 K CA -0.792 55.476 56.287 -0.031 0.000 0.817 270 K CB 2.916 35.324 32.500 -0.153 0.000 1.208 270 K HN 0.600 nan 8.250 nan 0.000 0.432 271 A N 0.956 123.792 122.820 0.026 0.000 2.454 271 A HA 0.634 4.955 4.320 0.001 0.000 0.302 271 A C -0.898 176.705 177.584 0.032 0.000 1.079 271 A CA -0.661 51.393 52.037 0.028 0.000 0.731 271 A CB 1.541 20.543 19.000 0.002 0.000 1.299 271 A HN 0.557 nan 8.150 nan 0.000 0.413 272 T N 2.056 116.623 114.554 0.022 0.000 2.824 272 T HA 0.609 4.960 4.350 0.001 0.000 0.280 272 T C -0.350 174.346 174.700 -0.007 0.000 0.995 272 T CA -0.126 61.990 62.100 0.026 0.000 1.009 272 T CB 0.527 69.415 68.868 0.034 0.000 0.955 272 T HN 0.444 nan 8.240 nan 0.000 0.452 273 L N 4.360 125.595 121.223 0.019 0.000 2.342 273 L HA 0.511 4.851 4.340 0.001 0.000 0.271 273 L C -2.090 174.808 176.870 0.047 0.000 1.008 273 L CA -2.771 52.076 54.840 0.011 0.000 0.818 273 L CB 1.938 44.034 42.059 0.062 0.000 1.296 273 L HN 0.375 nan 8.230 nan 0.000 0.427 274 P HA -0.038 nan 4.420 nan 0.000 0.263 274 P C -0.899 176.602 177.300 0.335 0.000 1.195 274 P CA 0.363 63.569 63.100 0.177 0.000 0.762 274 P CB 0.272 32.058 31.700 0.144 0.000 0.799 275 Y N 0.242 120.523 120.300 -0.033 0.000 4.644 275 Y HA -0.169 4.381 4.550 0.001 0.000 0.241 275 Y C 0.405 176.301 175.900 -0.007 0.000 1.077 275 Y CA 0.219 58.317 58.100 -0.003 0.000 2.080 275 Y CB -2.473 35.992 38.460 0.007 0.000 1.613 275 Y HN 0.385 nan 8.280 nan 0.000 0.686 276 I N 0.148 120.786 120.570 0.112 0.000 2.495 276 I HA 0.154 4.324 4.170 0.001 0.000 0.277 276 I C 1.201 177.361 176.117 0.071 0.000 1.045 276 I CA -0.806 60.542 61.300 0.081 0.000 1.135 276 I CB 1.368 39.410 38.000 0.070 0.000 1.241 276 I HN 0.010 nan 8.210 nan 0.000 0.469 277 K N 2.880 123.319 120.400 0.066 0.000 2.144 277 K HA -0.215 4.106 4.320 0.001 0.000 0.209 277 K C 0.966 177.604 176.600 0.063 0.000 1.047 277 K CA 1.605 57.923 56.287 0.051 0.000 0.927 277 K CB 0.057 32.585 32.500 0.046 0.000 0.716 277 K HN 0.570 nan 8.250 nan 0.000 0.454 278 Q N -0.012 119.839 119.800 0.086 0.000 2.576 278 Q HA 0.107 4.447 4.340 0.001 0.000 0.249 278 Q C -0.856 175.213 176.000 0.114 0.000 1.041 278 Q CA -0.874 54.992 55.803 0.105 0.000 0.928 278 Q CB 1.541 30.356 28.738 0.129 0.000 1.302 278 Q HN -0.030 nan 8.270 nan 0.000 0.504 279 D N 0.004 120.473 120.400 0.114 0.000 2.529 279 D HA 0.526 5.166 4.640 0.001 0.000 0.273 279 D C -0.541 175.797 176.300 0.062 0.000 1.197 279 D CA -0.140 53.913 54.000 0.088 0.000 1.070 279 D CB 0.917 41.770 40.800 0.089 0.000 1.134 279 D HN 0.397 nan 8.370 nan 0.000 0.590 280 I N 0.905 121.479 120.570 0.007 0.000 2.644 280 I HA 0.159 4.329 4.170 0.001 0.000 0.291 280 I C -2.599 173.464 176.117 -0.090 0.000 1.180 280 I CA -2.006 59.256 61.300 -0.064 0.000 1.040 280 I CB 3.059 41.047 38.000 -0.019 0.000 1.255 280 I HN -0.038 nan 8.210 nan 0.000 0.422 281 P HA 0.142 nan 4.420 nan 0.000 0.276 281 P C 1.258 178.525 177.300 -0.055 0.000 1.253 281 P CA -0.115 62.921 63.100 -0.107 0.000 0.766 281 P CB 0.642 32.263 31.700 -0.132 0.000 0.845 282 I N 1.731 122.291 120.570 -0.017 0.000 2.244 282 I HA -0.364 3.807 4.170 0.001 0.000 0.252 282 I C 1.481 177.634 176.117 0.059 0.000 1.062 282 I CA 1.741 63.035 61.300 -0.010 0.000 1.342 282 I CB -1.589 36.448 38.000 0.060 0.000 1.031 282 I HN 0.019 nan 8.210 nan 0.000 0.433 283 V N 2.224 122.209 119.914 0.118 0.000 2.223 283 V HA -0.339 3.782 4.120 0.001 0.000 0.246 283 V C 2.591 178.753 176.094 0.113 0.000 1.045 283 V CA 2.774 65.175 62.300 0.168 0.000 1.004 283 V CB -0.929 30.945 31.823 0.085 0.000 0.641 283 V HN 0.476 nan 8.190 nan 0.000 0.457 284 I N -0.096 120.475 120.570 0.002 0.000 2.182 284 I HA -0.352 3.819 4.170 0.001 0.000 0.248 284 I C 2.373 178.491 176.117 0.002 0.000 1.073 284 I CA 2.081 63.363 61.300 -0.030 0.000 1.335 284 I CB -0.589 37.317 38.000 -0.156 0.000 1.031 284 I HN 0.310 nan 8.210 nan 0.000 0.420 285 I N -0.000 120.555 120.570 -0.024 0.000 2.142 285 I HA -0.316 3.855 4.170 0.001 0.000 0.240 285 I C 2.520 178.598 176.117 -0.065 0.000 1.078 285 I CA 1.792 63.053 61.300 -0.065 0.000 1.343 285 I CB -0.499 37.434 38.000 -0.111 0.000 1.046 285 I HN 0.090 nan 8.210 nan 0.000 0.405 286 F N 0.948 120.889 119.950 -0.014 0.000 2.161 286 F HA -0.245 4.282 4.527 0.001 0.000 0.300 286 F C 2.812 178.592 175.800 -0.033 0.000 1.089 286 F CA 1.259 59.239 58.000 -0.033 0.000 1.282 286 F CB -0.180 38.820 39.000 0.000 0.000 1.010 286 F HN -0.059 nan 8.300 nan 0.000 0.485 287 R N -0.287 120.324 120.500 0.185 0.000 2.090 287 R HA -0.053 4.287 4.340 0.001 0.000 0.228 287 R C 2.326 178.662 176.300 0.061 0.000 1.110 287 R CA 0.942 57.105 56.100 0.104 0.000 0.973 287 R CB -0.558 29.788 30.300 0.077 0.000 0.869 287 R HN 0.209 nan 8.270 nan 0.000 0.440 288 A N 0.787 123.630 122.820 0.038 0.000 2.125 288 A HA -0.061 4.260 4.320 0.001 0.000 0.219 288 A C 1.766 179.340 177.584 -0.016 0.000 1.156 288 A CA 0.949 52.993 52.037 0.010 0.000 0.671 288 A CB -0.256 18.744 19.000 -0.001 0.000 0.794 288 A HN 0.199 nan 8.150 nan 0.000 0.459 289 L N -1.112 120.104 121.223 -0.012 0.000 2.611 289 L HA 0.229 4.569 4.340 0.001 0.000 0.229 289 L C 1.316 178.194 176.870 0.012 0.000 1.137 289 L CA 0.424 55.244 54.840 -0.034 0.000 0.901 289 L CB -0.145 41.882 42.059 -0.054 0.000 1.098 289 L HN 0.544 nan 8.230 nan 0.000 0.456 290 G N 1.457 110.275 108.800 0.031 0.000 2.248 290 G HA2 -0.256 3.705 3.960 0.001 0.000 0.263 290 G HA3 -0.256 3.705 3.960 0.001 0.000 0.263 290 G C 0.047 174.978 174.900 0.052 0.000 1.082 290 G CA -0.181 44.940 45.100 0.036 0.000 0.863 290 G HN 0.366 nan 8.290 nan 0.000 0.495 291 I N 0.364 120.975 120.570 0.070 0.000 2.948 291 I HA 0.251 4.421 4.170 0.001 0.000 0.308 291 I C 1.738 177.892 176.117 0.061 0.000 1.478 291 I CA -0.718 60.624 61.300 0.071 0.000 0.843 291 I CB 0.132 38.173 38.000 0.069 0.000 2.100 291 I HN 0.138 nan 8.210 nan 0.000 0.625 292 I N 2.908 123.509 120.570 0.050 0.000 2.118 292 I HA -0.102 4.069 4.170 0.001 0.000 0.241 292 I C -0.909 175.231 176.117 0.039 0.000 1.070 292 I CA 1.131 62.458 61.300 0.045 0.000 1.327 292 I CB -1.033 36.989 38.000 0.037 0.000 1.034 292 I HN 0.302 nan 8.210 nan 0.000 0.405 293 P HA 0.089 nan 4.420 nan 0.000 0.275 293 P C -0.987 176.316 177.300 0.004 0.000 1.227 293 P CA -0.047 63.065 63.100 0.019 0.000 0.781 293 P CB 0.646 32.353 31.700 0.011 0.000 0.906 294 D N 1.062 121.469 120.400 0.013 0.000 2.349 294 D HA 0.196 4.837 4.640 0.001 0.000 0.239 294 D C 1.809 178.094 176.300 -0.026 0.000 1.315 294 D CA 0.969 54.968 54.000 -0.001 0.000 0.937 294 D CB -0.494 40.314 40.800 0.012 0.000 1.133 294 D HN 0.670 nan 8.370 nan 0.000 0.489 295 G N -0.050 108.728 108.800 -0.037 0.000 2.746 295 G HA2 -0.479 3.481 3.960 0.001 0.000 0.236 295 G HA3 -0.479 3.481 3.960 0.001 0.000 0.236 295 G C 1.097 175.949 174.900 -0.081 0.000 1.172 295 G CA 0.992 46.064 45.100 -0.047 0.000 0.736 295 G HN 0.596 nan 8.290 nan 0.000 0.519 296 E N 0.200 120.348 120.200 -0.087 0.000 2.285 296 E HA 0.183 4.533 4.350 0.001 0.000 0.194 296 E C 2.567 179.037 176.600 -0.217 0.000 0.997 296 E CA 0.722 57.042 56.400 -0.134 0.000 0.845 296 E CB -0.099 29.561 29.700 -0.066 0.000 0.782 296 E HN 0.698 nan 8.360 nan 0.000 0.491 297 I N 0.530 120.991 120.570 -0.182 0.000 2.339 297 I HA -0.200 3.971 4.170 0.001 0.000 0.245 297 I C 1.909 177.855 176.117 -0.285 0.000 1.096 297 I CA 0.341 61.438 61.300 -0.338 0.000 1.408 297 I CB -0.026 37.804 38.000 -0.284 0.000 1.092 297 I HN 0.205 nan 8.210 nan 0.000 0.423 298 L N 0.709 121.848 121.223 -0.140 0.000 2.261 298 L HA -0.196 4.145 4.340 0.001 0.000 0.216 298 L C 2.309 179.166 176.870 -0.023 0.000 1.114 298 L CA 1.701 56.508 54.840 -0.056 0.000 0.777 298 L CB -1.128 40.915 42.059 -0.026 0.000 0.910 298 L HN 0.411 nan 8.230 nan 0.000 0.440 299 E N -1.084 119.057 120.200 -0.100 0.000 2.158 299 E HA -0.143 4.208 4.350 0.001 0.000 0.191 299 E C 1.841 178.455 176.600 0.023 0.000 0.982 299 E CA 0.479 56.851 56.400 -0.047 0.000 0.823 299 E CB 0.028 29.632 29.700 -0.159 0.000 0.766 299 E HN 0.608 nan 8.360 nan 0.000 0.468 300 H N -0.138 118.891 119.070 -0.068 0.000 2.546 300 H HA 0.063 4.620 4.556 0.001 0.000 0.277 300 H C 1.872 177.389 175.328 0.316 0.000 1.004 300 H CA 0.717 56.719 56.048 -0.076 0.000 1.231 300 H CB 0.430 29.900 29.762 -0.486 0.000 1.382 300 H HN 0.212 nan 8.280 nan 0.000 0.580 301 I N -1.088 119.662 120.570 0.299 0.000 3.194 301 I HA -0.010 4.160 4.170 0.001 0.000 0.271 301 I C 0.786 176.925 176.117 0.037 0.000 1.150 301 I CA 0.204 61.624 61.300 0.200 0.000 1.440 301 I CB 0.796 38.875 38.000 0.131 0.000 1.276 301 I HN 0.031 nan 8.210 nan 0.000 0.457 302 C N 1.312 120.683 119.300 0.120 0.000 2.281 302 C HA 0.325 4.785 4.460 0.001 0.000 0.325 302 C C 0.903 176.105 174.990 0.354 0.000 1.282 302 C CA -0.375 58.694 59.018 0.085 0.000 1.640 302 C CB -0.655 27.120 27.740 0.059 0.000 2.288 302 C HN 0.441 nan 8.230 nan 0.000 0.507 303 Y N 2.971 123.375 120.300 0.172 0.000 2.495 303 Y HA 0.256 4.807 4.550 0.001 0.000 0.293 303 Y C 0.917 176.913 175.900 0.159 0.000 1.186 303 Y CA -0.387 57.841 58.100 0.213 0.000 1.266 303 Y CB 0.224 38.852 38.460 0.281 0.000 1.101 303 Y HN 0.646 nan 8.280 nan 0.000 0.517 304 D N 0.098 120.648 120.400 0.250 0.000 2.591 304 D HA 0.087 4.727 4.640 0.001 0.000 0.222 304 D C 0.174 176.546 176.300 0.121 0.000 1.360 304 D CA -0.134 53.968 54.000 0.171 0.000 0.967 304 D CB 1.979 42.867 40.800 0.146 0.000 1.456 304 D HN -0.074 nan 8.370 nan 0.000 0.588 305 V N 3.087 123.058 119.914 0.095 0.000 3.383 305 V HA -0.054 4.066 4.120 0.001 0.000 0.272 305 V C 1.235 177.381 176.094 0.086 0.000 1.181 305 V CA 0.801 63.138 62.300 0.063 0.000 1.171 305 V CB -0.667 31.157 31.823 0.003 0.000 0.800 305 V HN 0.476 nan 8.190 nan 0.000 0.515 306 N N 0.841 119.605 118.700 0.106 0.000 2.451 306 N HA 0.086 4.827 4.740 0.001 0.000 0.264 306 N C 0.253 175.886 175.510 0.204 0.000 1.167 306 N CA 0.145 53.281 53.050 0.143 0.000 0.898 306 N CB 0.402 38.956 38.487 0.111 0.000 1.176 306 N HN 0.385 nan 8.380 nan 0.000 0.507 307 D N 0.656 121.157 120.400 0.169 0.000 2.980 307 D HA 0.019 4.660 4.640 0.001 0.000 0.333 307 D C 1.531 177.841 176.300 0.015 0.000 1.356 307 D CA -0.601 53.444 54.000 0.074 0.000 0.847 307 D CB -0.003 40.804 40.800 0.012 0.000 1.122 307 D HN 0.202 nan 8.370 nan 0.000 0.475 308 W N 0.946 122.246 121.300 0.001 0.000 2.274 308 W HA -0.306 4.354 4.660 0.001 0.000 0.314 308 W C 1.236 177.751 176.519 -0.006 0.000 1.254 308 W CA 0.723 58.065 57.345 -0.005 0.000 1.265 308 W CB -1.120 28.337 29.460 -0.006 0.000 1.141 308 W HN 0.182 nan 8.180 nan 0.000 0.505 309 Q N 0.607 119.798 119.800 -1.016 0.000 1.956 309 Q HA -0.286 4.055 4.340 0.001 0.000 0.208 309 Q C 2.506 178.285 176.000 -0.368 0.000 0.998 309 Q CA 2.716 57.992 55.803 -0.879 0.000 0.855 309 Q CB -0.836 27.323 28.738 -0.966 0.000 0.928 309 Q HN 0.478 nan 8.270 nan 0.000 0.418 310 M N 0.641 120.074 119.600 -0.279 0.000 2.106 310 M HA -0.222 4.258 4.480 0.001 0.000 0.259 310 M C 2.025 178.269 176.300 -0.093 0.000 1.068 310 M CA 1.462 56.668 55.300 -0.156 0.000 1.100 310 M CB -0.095 32.432 32.600 -0.122 0.000 1.351 310 M HN 0.170 nan 8.290 nan 0.000 0.404 311 L N 0.054 121.241 121.223 -0.060 0.000 1.955 311 L HA -0.262 4.079 4.340 0.001 0.000 0.213 311 L C 2.538 179.407 176.870 -0.001 0.000 1.072 311 L CA 1.940 56.779 54.840 -0.002 0.000 0.755 311 L CB -1.125 40.965 42.059 0.052 0.000 0.888 311 L HN 0.350 nan 8.230 nan 0.000 0.432 312 E N 0.387 120.592 120.200 0.008 0.000 2.086 312 E HA -0.301 4.049 4.350 0.001 0.000 0.205 312 E C 2.159 178.750 176.600 -0.014 0.000 1.027 312 E CA 1.969 58.381 56.400 0.019 0.000 0.830 312 E CB -0.281 29.435 29.700 0.027 0.000 0.751 312 E HN 0.216 nan 8.360 nan 0.000 0.456 313 M N -0.488 119.082 119.600 -0.050 0.000 2.255 313 M HA -0.197 4.283 4.480 0.001 0.000 0.259 313 M C 2.196 178.480 176.300 -0.026 0.000 1.071 313 M CA 1.306 56.576 55.300 -0.050 0.000 1.074 313 M CB -0.617 31.938 32.600 -0.075 0.000 1.384 313 M HN 0.243 nan 8.290 nan 0.000 0.415 314 L N -1.341 119.873 121.223 -0.014 0.000 2.307 314 L HA -0.088 4.252 4.340 0.001 0.000 0.211 314 L C 2.382 179.254 176.870 0.003 0.000 1.099 314 L CA 0.272 55.113 54.840 0.002 0.000 0.816 314 L CB -0.370 41.695 42.059 0.011 0.000 0.952 314 L HN 0.215 nan 8.230 nan 0.000 0.455 315 K N 0.689 121.089 120.400 -0.000 0.000 2.015 315 K HA -0.205 4.116 4.320 0.001 0.000 0.216 315 K C -0.414 176.180 176.600 -0.010 0.000 1.052 315 K CA 2.143 58.427 56.287 -0.005 0.000 0.937 315 K CB -1.170 31.329 32.500 -0.001 0.000 0.719 315 K HN 0.263 nan 8.250 nan 0.000 0.446 316 P HA -0.208 nan 4.420 nan 0.000 0.218 316 P C 1.704 178.998 177.300 -0.009 0.000 1.148 316 P CA 1.284 64.378 63.100 -0.011 0.000 0.822 316 P CB -0.152 31.542 31.700 -0.010 0.000 0.784 317 C N 0.043 119.341 119.300 -0.004 0.000 2.455 317 C HA -0.120 4.341 4.460 0.001 0.000 0.281 317 C C 2.829 177.826 174.990 0.013 0.000 1.237 317 C CA 1.062 60.081 59.018 0.002 0.000 1.726 317 C CB -1.429 26.321 27.740 0.017 0.000 2.068 317 C HN 0.077 nan 8.230 nan 0.000 0.466 318 V N 1.192 121.118 119.914 0.020 0.000 2.277 318 V HA -0.323 3.797 4.120 0.001 0.000 0.253 318 V C 2.411 178.529 176.094 0.040 0.000 1.067 318 V CA 2.671 64.990 62.300 0.032 0.000 1.047 318 V CB -1.062 30.770 31.823 0.015 0.000 0.649 318 V HN 0.634 nan 8.190 nan 0.000 0.447 319 E N -0.586 119.619 120.200 0.008 0.000 2.273 319 E HA -0.290 4.060 4.350 0.001 0.000 0.198 319 E C 1.888 178.531 176.600 0.071 0.000 1.002 319 E CA 1.407 57.812 56.400 0.008 0.000 0.828 319 E CB -0.192 29.489 29.700 -0.031 0.000 0.747 319 E HN 0.702 nan 8.360 nan 0.000 0.491 320 D N -0.286 120.137 120.400 0.038 0.000 2.077 320 D HA -0.093 4.547 4.640 0.001 0.000 0.196 320 D C 1.972 178.293 176.300 0.035 0.000 0.986 320 D CA 1.520 55.531 54.000 0.018 0.000 0.829 320 D CB -0.375 40.405 40.800 -0.033 0.000 0.983 320 D HN 0.175 nan 8.370 nan 0.000 0.453 321 G N -0.861 107.959 108.800 0.034 0.000 2.625 321 G HA2 -0.231 3.729 3.960 0.001 0.000 0.214 321 G HA3 -0.231 3.729 3.960 0.001 0.000 0.214 321 G C 1.263 176.221 174.900 0.097 0.000 1.132 321 G CA 0.122 45.237 45.100 0.026 0.000 0.782 321 G HN 0.289 nan 8.290 nan 0.000 0.538 322 F N 1.994 121.936 119.950 -0.015 0.000 2.204 322 F HA -0.212 4.315 4.527 0.001 0.000 0.301 322 F C 2.180 177.982 175.800 0.005 0.000 1.058 322 F CA 1.278 59.276 58.000 -0.002 0.000 1.313 322 F CB -0.108 38.892 39.000 -0.001 0.000 1.051 322 F HN 0.053 nan 8.300 nan 0.000 0.505 323 V N 0.448 120.287 119.914 -0.126 0.000 3.510 323 V HA -0.006 4.114 4.120 0.001 0.000 0.270 323 V C 1.051 177.063 176.094 -0.136 0.000 1.201 323 V CA 0.499 62.671 62.300 -0.214 0.000 1.166 323 V CB -1.044 30.734 31.823 -0.075 0.000 0.825 323 V HN 0.127 nan 8.190 nan 0.000 0.484 324 I N -0.264 120.253 120.570 -0.088 0.000 2.846 324 I HA 0.489 4.660 4.170 0.001 0.000 0.307 324 I C 0.352 176.452 176.117 -0.030 0.000 1.053 324 I CA -0.368 60.910 61.300 -0.037 0.000 1.050 324 I CB 2.364 40.360 38.000 -0.007 0.000 1.239 324 I HN -0.037 nan 8.210 nan 0.000 0.439 325 Q N 2.301 122.096 119.800 -0.009 0.000 1.798 325 Q HA 0.131 4.471 4.340 0.001 0.000 0.173 325 Q C -1.860 174.150 176.000 0.018 0.000 0.780 325 Q CA -0.162 55.645 55.803 0.007 0.000 0.866 325 Q CB 0.570 29.300 28.738 -0.014 0.000 1.234 325 Q HN 0.747 nan 8.270 nan 0.000 0.390 326 D N -2.389 118.024 120.400 0.021 0.000 2.769 326 D HA 0.149 4.789 4.640 0.001 0.000 0.219 326 D C 0.137 176.455 176.300 0.030 0.000 1.245 326 D CA -0.643 53.372 54.000 0.024 0.000 0.801 326 D CB 0.593 41.404 40.800 0.018 0.000 1.598 326 D HN 0.007 nan 8.370 nan 0.000 0.485 327 R N 0.884 121.402 120.500 0.030 0.000 2.153 327 R HA -0.244 4.096 4.340 0.001 0.000 0.252 327 R C 1.335 177.655 176.300 0.033 0.000 1.158 327 R CA 2.271 58.390 56.100 0.031 0.000 0.975 327 R CB 0.065 30.380 30.300 0.026 0.000 0.871 327 R HN 0.625 nan 8.270 nan 0.000 0.450 328 E N -1.029 119.189 120.200 0.030 0.000 2.000 328 E HA -0.184 4.166 4.350 0.001 0.000 0.199 328 E C 1.899 178.525 176.600 0.043 0.000 1.011 328 E CA 2.168 58.588 56.400 0.032 0.000 0.836 328 E CB -0.202 29.513 29.700 0.025 0.000 0.778 328 E HN 0.377 nan 8.360 nan 0.000 0.462 329 T N 1.227 115.807 114.554 0.042 0.000 2.803 329 T HA -0.184 4.166 4.350 0.001 0.000 0.269 329 T C 1.800 176.552 174.700 0.087 0.000 1.052 329 T CA 1.020 63.156 62.100 0.058 0.000 1.136 329 T CB -0.291 68.603 68.868 0.044 0.000 0.864 329 T HN 0.278 nan 8.240 nan 0.000 0.467 330 A N 1.854 124.715 122.820 0.068 0.000 1.834 330 A HA -0.059 4.261 4.320 0.001 0.000 0.216 330 A C 2.142 179.786 177.584 0.099 0.000 1.203 330 A CA 1.484 53.565 52.037 0.073 0.000 0.621 330 A CB -1.028 18.001 19.000 0.049 0.000 0.841 330 A HN 0.374 nan 8.150 nan 0.000 0.446 331 L N 0.311 121.578 121.223 0.073 0.000 2.187 331 L HA -0.186 4.155 4.340 0.001 0.000 0.213 331 L C 2.083 179.013 176.870 0.099 0.000 1.100 331 L CA 2.113 56.997 54.840 0.073 0.000 0.765 331 L CB -0.975 41.113 42.059 0.049 0.000 0.904 331 L HN 0.589 nan 8.230 nan 0.000 0.437 332 D N -0.767 119.692 120.400 0.100 0.000 2.133 332 D HA -0.298 4.343 4.640 0.001 0.000 0.195 332 D C 2.113 178.476 176.300 0.104 0.000 0.997 332 D CA 1.359 55.413 54.000 0.089 0.000 0.840 332 D CB -0.114 40.732 40.800 0.077 0.000 0.947 332 D HN 0.263 nan 8.370 nan 0.000 0.452 333 F N 0.619 120.583 119.950 0.023 0.000 2.014 333 F HA -0.077 4.450 4.527 0.001 0.000 0.295 333 F C 2.315 178.131 175.800 0.027 0.000 1.145 333 F CA 1.474 59.488 58.000 0.023 0.000 1.178 333 F CB -0.323 38.687 39.000 0.017 0.000 0.972 333 F HN -0.050 nan 8.300 nan 0.000 0.476 334 I N 0.234 121.015 120.570 0.351 0.000 2.182 334 I HA -0.394 3.776 4.170 0.001 0.000 0.248 334 I C 2.557 178.722 176.117 0.079 0.000 1.073 334 I CA 1.708 63.129 61.300 0.201 0.000 1.335 334 I CB -1.429 36.639 38.000 0.112 0.000 1.031 334 I HN 0.398 nan 8.210 nan 0.000 0.420 335 G N 0.404 109.248 108.800 0.074 0.000 2.396 335 G HA2 -0.138 3.822 3.960 0.001 0.000 0.214 335 G HA3 -0.138 3.822 3.960 0.001 0.000 0.214 335 G C 1.793 176.777 174.900 0.140 0.000 1.166 335 G CA 0.173 45.341 45.100 0.114 0.000 0.793 335 G HN 0.306 nan 8.290 nan 0.000 0.533 336 R N -0.283 120.234 120.500 0.028 0.000 2.073 336 R HA 0.061 4.401 4.340 0.001 0.000 0.229 336 R C 2.597 178.855 176.300 -0.071 0.000 1.120 336 R CA 0.871 56.952 56.100 -0.032 0.000 0.967 336 R CB -0.289 29.939 30.300 -0.120 0.000 0.862 336 R HN 0.093 nan 8.270 nan 0.000 0.436 337 R N 0.709 121.109 120.500 -0.167 0.000 2.117 337 R HA -0.112 4.229 4.340 0.001 0.000 0.243 337 R C 2.039 178.341 176.300 0.002 0.000 1.143 337 R CA 1.869 57.878 56.100 -0.150 0.000 0.968 337 R CB -0.936 29.294 30.300 -0.117 0.000 0.863 337 R HN 0.387 nan 8.270 nan 0.000 0.444 338 G N -2.652 106.230 108.800 0.135 0.000 2.473 338 G HA2 -0.095 3.866 3.960 0.001 0.000 0.212 338 G HA3 -0.095 3.866 3.960 0.001 0.000 0.212 338 G C 0.599 175.631 174.900 0.220 0.000 1.211 338 G CA 0.915 46.115 45.100 0.167 0.000 0.813 338 G HN 0.389 nan 8.290 nan 0.000 0.541 339 T N 1.040 115.819 114.554 0.375 0.000 3.266 339 T HA 0.664 5.014 4.350 0.001 0.000 0.278 339 T C 0.377 175.113 174.700 0.059 0.000 1.010 339 T CA 0.126 62.335 62.100 0.182 0.000 0.909 339 T CB 0.736 69.698 68.868 0.157 0.000 1.122 339 T HN 0.449 nan 8.240 nan 0.000 0.536 340 A N 0.697 123.562 122.820 0.075 0.000 2.293 340 A HA 0.893 5.214 4.320 0.001 0.000 0.302 340 A C 0.484 178.068 177.584 -0.001 0.000 1.119 340 A CA -0.410 51.639 52.037 0.019 0.000 0.823 340 A CB 0.706 19.729 19.000 0.039 0.000 1.097 340 A HN 0.471 nan 8.150 nan 0.000 0.491 341 L N 0.449 121.665 121.223 -0.013 0.000 1.589 341 L HA 0.172 4.512 4.340 0.001 0.000 0.161 341 L C 1.826 178.687 176.870 -0.015 0.000 1.300 341 L CA 0.702 55.534 54.840 -0.014 0.000 1.196 341 L CB -0.007 42.044 42.059 -0.013 0.000 2.497 341 L HN 0.816 nan 8.230 nan 0.000 0.492 342 G N 0.494 109.283 108.800 -0.018 0.000 3.126 342 G HA2 0.270 4.231 3.960 0.001 0.000 0.224 342 G HA3 0.270 4.231 3.960 0.001 0.000 0.224 342 G C 0.577 175.467 174.900 -0.016 0.000 1.142 342 G CA -0.165 44.925 45.100 -0.017 0.000 0.759 342 G HN 0.060 nan 8.290 nan 0.000 0.550 343 I N 0.950 121.510 120.570 -0.018 0.000 2.648 343 I HA 0.024 4.194 4.170 0.001 0.000 0.284 343 I C 1.030 177.144 176.117 -0.004 0.000 1.153 343 I CA 0.250 61.542 61.300 -0.012 0.000 1.426 343 I CB 1.230 39.226 38.000 -0.006 0.000 1.381 343 I HN 0.046 nan 8.210 nan 0.000 0.571 344 K N 5.360 125.759 120.400 -0.001 0.000 2.444 344 K HA 0.123 4.443 4.320 0.001 0.000 0.193 344 K C 0.512 177.115 176.600 0.007 0.000 1.024 344 K CA 0.137 56.424 56.287 0.001 0.000 1.077 344 K CB 0.288 32.789 32.500 0.001 0.000 0.833 344 K HN 0.599 nan 8.250 nan 0.000 0.517 345 K N -1.118 119.289 120.400 0.012 0.000 2.770 345 K HA -0.166 4.154 4.320 0.001 0.000 0.442 345 K C 1.076 177.693 176.600 0.028 0.000 0.349 345 K CA 0.842 57.141 56.287 0.019 0.000 1.961 345 K CB -0.907 31.602 32.500 0.015 0.000 0.522 345 K HN 0.010 nan 8.250 nan 0.000 0.370 346 E N 1.722 121.936 120.200 0.023 0.000 2.153 346 E HA -0.130 4.220 4.350 0.001 0.000 0.194 346 E C 1.539 178.161 176.600 0.036 0.000 0.988 346 E CA 1.317 57.734 56.400 0.028 0.000 0.811 346 E CB 0.040 29.752 29.700 0.020 0.000 0.746 346 E HN 0.269 nan 8.360 nan 0.000 0.466 347 K N 0.232 120.650 120.400 0.030 0.000 2.116 347 K HA -0.039 4.281 4.320 0.001 0.000 0.203 347 K C 2.186 178.827 176.600 0.068 0.000 1.052 347 K CA 0.587 56.892 56.287 0.031 0.000 0.952 347 K CB -0.012 32.488 32.500 0.000 0.000 0.729 347 K HN -0.041 nan 8.250 nan 0.000 0.446 348 R N 0.952 121.495 120.500 0.071 0.000 2.080 348 R HA -0.071 4.269 4.340 0.001 0.000 0.236 348 R C 2.327 178.710 176.300 0.139 0.000 1.137 348 R CA 1.485 57.655 56.100 0.116 0.000 0.943 348 R CB -0.390 29.953 30.300 0.071 0.000 0.846 348 R HN 0.153 nan 8.270 nan 0.000 0.431 349 I N 0.309 120.934 120.570 0.091 0.000 2.286 349 I HA -0.276 3.894 4.170 0.001 0.000 0.248 349 I C 2.477 178.649 176.117 0.092 0.000 1.115 349 I CA 1.103 62.451 61.300 0.080 0.000 1.392 349 I CB -0.209 37.825 38.000 0.056 0.000 1.065 349 I HN 0.172 nan 8.210 nan 0.000 0.418 350 Q N 0.175 120.034 119.800 0.098 0.000 2.119 350 Q HA -0.241 4.099 4.340 0.001 0.000 0.201 350 Q C 2.046 178.145 176.000 0.166 0.000 0.972 350 Q CA 1.663 57.527 55.803 0.102 0.000 0.847 350 Q CB -0.462 28.324 28.738 0.080 0.000 0.903 350 Q HN 0.491 nan 8.270 nan 0.000 0.433 351 Y N 0.092 120.408 120.300 0.026 0.000 2.128 351 Y HA -0.201 4.349 4.550 0.001 0.000 0.284 351 Y C 1.988 177.908 175.900 0.034 0.000 1.154 351 Y CA 1.482 59.600 58.100 0.030 0.000 1.149 351 Y CB -0.979 37.504 38.460 0.037 0.000 0.976 351 Y HN 0.155 nan 8.280 nan 0.000 0.505 352 A N 0.284 123.131 122.820 0.044 0.000 1.858 352 A HA -0.211 4.110 4.320 0.001 0.000 0.216 352 A C 2.350 179.924 177.584 -0.018 0.000 1.190 352 A CA 1.928 53.934 52.037 -0.052 0.000 0.617 352 A CB -0.737 18.267 19.000 0.006 0.000 0.827 352 A HN 0.467 nan 8.150 nan 0.000 0.443 353 K N -0.290 120.124 120.400 0.023 0.000 2.001 353 K HA -0.252 4.068 4.320 0.001 0.000 0.223 353 K C 1.781 178.392 176.600 0.019 0.000 1.055 353 K CA 2.017 58.317 56.287 0.021 0.000 0.965 353 K CB -0.535 31.988 32.500 0.037 0.000 0.730 353 K HN 0.527 nan 8.250 nan 0.000 0.449 354 D N 0.663 121.086 120.400 0.039 0.000 2.126 354 D HA -0.214 4.426 4.640 0.001 0.000 0.190 354 D C 2.029 178.333 176.300 0.008 0.000 1.001 354 D CA 1.522 55.545 54.000 0.039 0.000 0.841 354 D CB -0.449 40.395 40.800 0.074 0.000 0.949 354 D HN 0.266 nan 8.370 nan 0.000 0.446 355 I N 0.838 121.384 120.570 -0.040 0.000 2.151 355 I HA -0.276 3.894 4.170 0.001 0.000 0.243 355 I C 2.494 178.625 176.117 0.024 0.000 1.080 355 I CA 0.965 62.218 61.300 -0.079 0.000 1.339 355 I CB -0.297 37.587 38.000 -0.194 0.000 1.039 355 I HN -0.014 nan 8.210 nan 0.000 0.409 356 L N -0.365 120.871 121.223 0.022 0.000 2.291 356 L HA -0.157 4.183 4.340 0.001 0.000 0.214 356 L C 2.420 179.307 176.870 0.029 0.000 1.120 356 L CA 0.978 55.835 54.840 0.029 0.000 0.799 356 L CB -0.426 41.583 42.059 -0.084 0.000 0.925 356 L HN 0.344 nan 8.230 nan 0.000 0.446 357 Q N -0.420 119.399 119.800 0.032 0.000 2.287 357 Q HA -0.020 4.320 4.340 0.001 0.000 0.201 357 Q C 1.777 177.808 176.000 0.052 0.000 0.946 357 Q CA 0.688 56.513 55.803 0.038 0.000 0.868 357 Q CB 0.382 29.140 28.738 0.034 0.000 0.967 357 Q HN 0.364 nan 8.270 nan 0.000 0.516 358 K N -0.335 120.097 120.400 0.053 0.000 2.354 358 K HA 0.064 4.384 4.320 0.001 0.000 0.194 358 K C 1.190 177.852 176.600 0.103 0.000 1.045 358 K CA 0.374 56.700 56.287 0.065 0.000 1.026 358 K CB 0.708 33.243 32.500 0.058 0.000 0.866 358 K HN 0.035 nan 8.250 nan 0.000 0.530 359 E N -0.103 120.146 120.200 0.082 0.000 2.367 359 E HA 0.066 4.416 4.350 0.001 0.000 0.204 359 E C -0.083 176.593 176.600 0.126 0.000 0.840 359 E CA -0.133 56.309 56.400 0.070 0.000 1.051 359 E CB 0.228 29.884 29.700 -0.073 0.000 1.051 359 E HN 0.078 nan 8.360 nan 0.000 0.509 360 F N 2.795 122.747 119.950 0.003 0.000 2.502 360 F HA 0.086 4.614 4.527 0.001 0.000 0.371 360 F C 0.784 176.608 175.800 0.039 0.000 1.083 360 F CA -0.559 57.453 58.000 0.020 0.000 1.174 360 F CB 0.423 39.425 39.000 0.003 0.000 1.096 360 F HN -0.101 nan 8.300 nan 0.000 0.545 361 L N 8.861 130.055 121.223 -0.048 0.000 3.833 361 L HA -0.233 4.107 4.340 0.001 0.000 0.447 361 L C -1.492 175.474 176.870 0.159 0.000 1.213 361 L CA 0.250 55.158 54.840 0.112 0.000 0.801 361 L CB -1.047 41.164 42.059 0.253 0.000 1.676 361 L HN 0.584 nan 8.230 nan 0.000 0.883 362 P HA -0.228 nan 4.420 nan 0.000 0.219 362 P C 0.765 178.107 177.300 0.071 0.000 1.144 362 P CA 1.951 65.121 63.100 0.117 0.000 0.806 362 P CB -0.465 31.334 31.700 0.165 0.000 0.771 363 H N -1.017 118.041 119.070 -0.020 0.000 2.581 363 H HA 0.209 4.766 4.556 0.001 0.000 0.369 363 H C 1.532 176.796 175.328 -0.106 0.000 1.351 363 H CA -0.126 55.889 56.048 -0.055 0.000 1.434 363 H CB 0.728 30.457 29.762 -0.056 0.000 1.558 363 H HN -0.018 nan 8.280 nan 0.000 0.608 364 I N -1.755 118.575 120.570 -0.399 0.000 4.665 364 I HA -0.345 3.826 4.170 0.001 0.000 0.045 364 I C -0.168 175.737 176.117 -0.353 0.000 0.626 364 I CA 1.681 62.701 61.300 -0.467 0.000 0.809 364 I CB -1.199 36.398 38.000 -0.672 0.000 0.743 364 I HN 0.834 nan 8.210 nan 0.000 0.157 365 T N -0.165 114.202 114.554 -0.312 0.000 3.247 365 T HA 0.231 4.581 4.350 0.001 0.000 0.395 365 T C -0.776 173.824 174.700 -0.167 0.000 1.772 365 T CA -0.429 61.485 62.100 -0.310 0.000 1.117 365 T CB 1.511 69.980 68.868 -0.665 0.000 1.626 365 T HN 0.352 nan 8.240 nan 0.000 0.481 366 Q N 2.247 121.984 119.800 -0.104 0.000 2.171 366 Q HA 0.367 4.707 4.340 0.001 0.000 0.218 366 Q C 1.435 177.430 176.000 -0.008 0.000 0.822 366 Q CA -0.184 55.600 55.803 -0.031 0.000 0.987 366 Q CB 0.572 29.299 28.738 -0.018 0.000 1.144 366 Q HN 0.563 nan 8.270 nan 0.000 0.494 367 L N 0.280 121.490 121.223 -0.022 0.000 1.845 367 L HA -0.120 4.220 4.340 0.001 0.000 0.239 367 L C 1.597 178.527 176.870 0.100 0.000 1.068 367 L CA 1.515 56.383 54.840 0.047 0.000 1.094 367 L CB -0.236 41.873 42.059 0.084 0.000 0.996 367 L HN 0.214 nan 8.230 nan 0.000 0.528 368 E N -1.577 118.740 120.200 0.196 0.000 3.730 368 E HA 0.103 4.453 4.350 0.001 0.000 0.233 368 E C 1.036 177.749 176.600 0.188 0.000 1.281 368 E CA 0.347 56.839 56.400 0.153 0.000 1.519 368 E CB 0.144 29.901 29.700 0.095 0.000 2.292 368 E HN 0.424 nan 8.360 nan 0.000 0.655 369 G N 0.798 109.672 108.800 0.124 0.000 2.990 369 G HA2 0.086 4.047 3.960 0.001 0.000 0.256 369 G HA3 0.086 4.047 3.960 0.001 0.000 0.256 369 G C -0.438 174.251 174.900 -0.350 0.000 0.798 369 G CA 0.429 45.476 45.100 -0.089 0.000 2.012 369 G HN 0.119 nan 8.290 nan 0.000 0.598 370 F N -0.897 119.048 119.950 -0.009 0.000 2.802 370 F HA 0.254 4.782 4.527 0.001 0.000 0.346 370 F C 1.246 177.040 175.800 -0.009 0.000 1.229 370 F CA -0.528 57.466 58.000 -0.009 0.000 1.142 370 F CB 0.828 39.817 39.000 -0.018 0.000 1.146 370 F HN 0.113 nan 8.300 nan 0.000 0.510 371 E N 0.225 120.479 120.200 0.089 0.000 2.209 371 E HA -0.169 4.182 4.350 0.001 0.000 0.196 371 E C 2.201 178.837 176.600 0.060 0.000 0.993 371 E CA 1.621 58.042 56.400 0.035 0.000 0.819 371 E CB -0.285 29.417 29.700 0.003 0.000 0.745 371 E HN 0.333 nan 8.360 nan 0.000 0.477 372 S N -0.933 114.825 115.700 0.097 0.000 2.558 372 S HA 0.107 4.578 4.470 0.001 0.000 0.217 372 S C 1.802 176.580 174.600 0.297 0.000 0.975 372 S CA 0.047 58.359 58.200 0.186 0.000 0.912 372 S CB 0.275 63.584 63.200 0.182 0.000 0.776 372 S HN 0.063 nan 8.310 nan 0.000 0.526 373 R N 0.905 121.540 120.500 0.225 0.000 2.175 373 R HA 0.294 4.634 4.340 0.001 0.000 0.202 373 R C 2.045 178.509 176.300 0.273 0.000 1.018 373 R CA 0.472 56.704 56.100 0.220 0.000 1.029 373 R CB 0.075 30.527 30.300 0.252 0.000 0.959 373 R HN 0.318 nan 8.270 nan 0.000 0.480 374 K N -0.205 120.322 120.400 0.211 0.000 2.116 374 K HA 0.072 4.393 4.320 0.001 0.000 0.203 374 K C 1.917 178.692 176.600 0.292 0.000 1.052 374 K CA 0.981 57.404 56.287 0.226 0.000 0.952 374 K CB 0.128 32.651 32.500 0.039 0.000 0.729 374 K HN 0.077 nan 8.250 nan 0.000 0.446 375 A N 0.676 123.602 122.820 0.177 0.000 1.933 375 A HA -0.118 4.203 4.320 0.001 0.000 0.218 375 A C 1.806 179.570 177.584 0.301 0.000 1.175 375 A CA 1.192 53.330 52.037 0.168 0.000 0.628 375 A CB -0.596 18.390 19.000 -0.023 0.000 0.814 375 A HN 0.197 nan 8.150 nan 0.000 0.444 376 F N -2.267 117.852 119.950 0.282 0.000 2.407 376 F HA 0.029 4.557 4.527 0.001 0.000 0.299 376 F C 1.839 178.127 175.800 0.814 0.000 1.097 376 F CA 0.868 59.148 58.000 0.467 0.000 1.422 376 F CB -0.180 38.886 39.000 0.110 0.000 1.067 376 F HN 0.319 nan 8.300 nan 0.000 0.539 377 F N -0.258 120.124 119.950 0.719 0.000 2.118 377 F HA -0.112 4.416 4.527 0.001 0.000 0.293 377 F C 2.258 178.386 175.800 0.547 0.000 1.102 377 F CA 0.866 59.280 58.000 0.689 0.000 1.247 377 F CB -0.698 38.621 39.000 0.532 0.000 1.017 377 F HN -0.117 nan 8.300 nan 0.000 0.475 378 L N 0.783 122.366 121.223 0.600 0.000 2.051 378 L HA -0.147 4.193 4.340 0.001 0.000 0.214 378 L C 2.285 179.335 176.870 0.301 0.000 1.076 378 L CA 2.400 57.447 54.840 0.345 0.000 0.758 378 L CB -1.696 40.440 42.059 0.129 0.000 0.890 378 L HN 0.226 nan 8.230 nan 0.000 0.433 379 G N -1.806 107.303 108.800 0.515 0.000 2.433 379 G HA2 -0.390 3.570 3.960 0.001 0.000 0.216 379 G HA3 -0.390 3.570 3.960 0.001 0.000 0.216 379 G C 1.589 176.700 174.900 0.351 0.000 1.186 379 G CA 0.863 46.288 45.100 0.541 0.000 0.779 379 G HN 0.571 nan 8.290 nan 0.000 0.543 380 Y N 0.911 121.379 120.300 0.281 0.000 2.298 380 Y HA -0.113 4.438 4.550 0.001 0.000 0.287 380 Y C 2.687 178.503 175.900 -0.139 0.000 1.164 380 Y CA 1.596 59.711 58.100 0.024 0.000 1.229 380 Y CB -0.095 38.262 38.460 -0.172 0.000 0.977 380 Y HN 0.182 nan 8.280 nan 0.000 0.538 381 M N -0.952 118.538 119.600 -0.183 0.000 2.171 381 M HA -0.107 4.373 4.480 0.001 0.000 0.260 381 M C 2.097 178.282 176.300 -0.191 0.000 1.087 381 M CA 1.522 56.660 55.300 -0.269 0.000 1.154 381 M CB -0.320 32.209 32.600 -0.118 0.000 1.331 381 M HN 0.160 nan 8.290 nan 0.000 0.431 382 I N 0.627 121.167 120.570 -0.050 0.000 2.399 382 I HA -0.326 3.844 4.170 0.001 0.000 0.254 382 I C 2.019 178.089 176.117 -0.079 0.000 1.146 382 I CA 1.172 62.461 61.300 -0.018 0.000 1.412 382 I CB -0.846 37.211 38.000 0.095 0.000 1.076 382 I HN 0.432 nan 8.210 nan 0.000 0.432 383 N N 1.143 119.758 118.700 -0.142 0.000 2.048 383 N HA -0.155 4.585 4.740 0.001 0.000 0.193 383 N C 2.019 177.378 175.510 -0.252 0.000 1.061 383 N CA 1.255 54.172 53.050 -0.221 0.000 0.849 383 N CB -0.007 38.282 38.487 -0.330 0.000 1.044 383 N HN -0.025 nan 8.380 nan 0.000 0.429 384 R N 0.442 120.713 120.500 -0.382 0.000 2.162 384 R HA -0.219 4.122 4.340 0.001 0.000 0.245 384 R C 2.215 178.383 176.300 -0.220 0.000 1.129 384 R CA 1.528 57.415 56.100 -0.356 0.000 0.940 384 R CB -1.690 28.312 30.300 -0.497 0.000 0.875 384 R HN 0.442 nan 8.270 nan 0.000 0.437 385 L N 1.118 122.223 121.223 -0.195 0.000 1.997 385 L HA -0.266 4.074 4.340 0.001 0.000 0.227 385 L C 2.400 179.236 176.870 -0.057 0.000 1.087 385 L CA 1.969 56.745 54.840 -0.107 0.000 0.797 385 L CB -0.694 41.316 42.059 -0.081 0.000 0.902 385 L HN 0.176 nan 8.230 nan 0.000 0.441 386 L N -1.703 119.473 121.223 -0.079 0.000 1.955 386 L HA -0.270 4.071 4.340 0.001 0.000 0.213 386 L C 2.543 179.372 176.870 -0.069 0.000 1.072 386 L CA 1.356 56.152 54.840 -0.073 0.000 0.755 386 L CB -0.916 41.091 42.059 -0.087 0.000 0.888 386 L HN 0.283 nan 8.230 nan 0.000 0.432 387 L N -0.256 120.908 121.223 -0.097 0.000 2.186 387 L HA -0.380 3.961 4.340 0.001 0.000 0.221 387 L C 2.755 179.594 176.870 -0.051 0.000 1.087 387 L CA 1.980 56.767 54.840 -0.088 0.000 0.794 387 L CB -1.133 40.861 42.059 -0.109 0.000 0.893 387 L HN 0.511 nan 8.230 nan 0.000 0.442 388 C N -1.146 118.138 119.300 -0.027 0.000 2.508 388 C HA 0.015 4.475 4.460 0.001 0.000 0.280 388 C C 2.932 177.991 174.990 0.116 0.000 1.262 388 C CA 0.504 59.538 59.018 0.027 0.000 1.706 388 C CB -1.118 26.632 27.740 0.017 0.000 2.078 388 C HN 0.597 nan 8.230 nan 0.000 0.480 389 A N 0.012 122.933 122.820 0.168 0.000 2.245 389 A HA -0.005 4.315 4.320 0.001 0.000 0.217 389 A C 1.580 179.151 177.584 -0.022 0.000 1.171 389 A CA 1.354 53.410 52.037 0.031 0.000 0.688 389 A CB -0.622 18.237 19.000 -0.235 0.000 0.781 389 A HN 0.756 nan 8.150 nan 0.000 0.479 390 L N -1.514 119.696 121.223 -0.020 0.000 3.014 390 L HA 0.186 4.527 4.340 0.001 0.000 0.263 390 L C -0.647 176.202 176.870 -0.034 0.000 1.207 390 L CA -0.251 54.555 54.840 -0.056 0.000 1.017 390 L CB -0.353 41.648 42.059 -0.097 0.000 1.360 390 L HN 0.233 nan 8.230 nan 0.000 0.560 391 D N 1.113 121.514 120.400 0.001 0.000 2.737 391 D HA -0.198 4.443 4.640 0.001 0.000 0.238 391 D C 1.066 177.359 176.300 -0.013 0.000 1.157 391 D CA 0.572 54.573 54.000 0.001 0.000 0.694 391 D CB -0.396 40.405 40.800 0.001 0.000 1.021 391 D HN 0.383 nan 8.370 nan 0.000 0.420 392 R N -0.486 120.002 120.500 -0.019 0.000 2.383 392 R HA 0.178 4.519 4.340 0.001 0.000 0.205 392 R C 0.359 176.647 176.300 -0.019 0.000 0.875 392 R CA 0.035 56.121 56.100 -0.023 0.000 1.039 392 R CB 0.688 30.965 30.300 -0.038 0.000 1.267 392 R HN -0.083 nan 8.270 nan 0.000 0.635 393 K N 1.394 121.779 120.400 -0.024 0.000 2.427 393 K HA 0.247 4.568 4.320 0.001 0.000 0.252 393 K C -1.210 175.377 176.600 -0.021 0.000 0.931 393 K CA -0.528 55.744 56.287 -0.025 0.000 0.793 393 K CB 2.168 34.641 32.500 -0.045 0.000 1.211 393 K HN -0.021 nan 8.250 nan 0.000 0.426 394 D N 1.606 122.000 120.400 -0.010 0.000 2.361 394 D HA -0.045 4.595 4.640 0.001 0.000 0.239 394 D C 0.489 176.784 176.300 -0.009 0.000 1.200 394 D CA 0.158 54.156 54.000 -0.003 0.000 0.915 394 D CB 0.896 41.705 40.800 0.015 0.000 1.170 394 D HN 0.320 nan 8.370 nan 0.000 0.444 395 Q N 0.684 120.483 119.800 -0.002 0.000 2.392 395 Q HA -0.019 4.321 4.340 0.001 0.000 0.262 395 Q C -0.438 175.618 176.000 0.092 0.000 1.003 395 Q CA -0.258 55.559 55.803 0.024 0.000 0.888 395 Q CB 0.741 29.497 28.738 0.031 0.000 1.260 395 Q HN 0.286 nan 8.270 nan 0.000 0.435 396 D N 2.186 122.691 120.400 0.175 0.000 2.414 396 D HA -0.031 4.609 4.640 0.001 0.000 0.242 396 D C -0.757 175.685 176.300 0.236 0.000 1.129 396 D CA 0.370 54.502 54.000 0.219 0.000 0.885 396 D CB 0.721 41.677 40.800 0.260 0.000 1.198 396 D HN 0.512 nan 8.370 nan 0.000 0.437 397 D N 2.252 122.745 120.400 0.155 0.000 2.295 397 D HA 0.040 4.681 4.640 0.001 0.000 0.248 397 D C 0.816 177.158 176.300 0.069 0.000 1.154 397 D CA -0.267 53.796 54.000 0.105 0.000 0.857 397 D CB 0.672 41.562 40.800 0.150 0.000 1.117 397 D HN 0.278 nan 8.370 nan 0.000 0.468 398 R N 2.148 122.632 120.500 -0.028 0.000 2.307 398 R HA -0.011 4.329 4.340 0.001 0.000 0.199 398 R C 0.036 176.303 176.300 -0.056 0.000 1.000 398 R CA 0.619 56.681 56.100 -0.064 0.000 1.023 398 R CB 0.437 30.625 30.300 -0.188 0.000 0.908 398 R HN 0.436 nan 8.270 nan 0.000 0.473 399 D N -0.438 119.899 120.400 -0.104 0.000 2.559 399 D HA -0.014 4.626 4.640 0.001 0.000 0.234 399 D C -0.258 175.713 176.300 -0.548 0.000 1.226 399 D CA -0.026 53.830 54.000 -0.240 0.000 0.830 399 D CB 0.163 40.833 40.800 -0.217 0.000 1.028 399 D HN 0.122 nan 8.370 nan 0.000 0.492 400 H N 1.182 120.046 119.070 -0.343 0.000 3.067 400 H HA -0.012 4.545 4.556 0.001 0.000 0.265 400 H C 0.861 176.128 175.328 -0.101 0.000 1.234 400 H CA -0.465 55.424 56.048 -0.265 0.000 1.452 400 H CB -0.143 29.580 29.762 -0.065 0.000 1.527 400 H HN -0.045 nan 8.280 nan 0.000 0.486 401 F N 3.733 123.537 119.950 -0.244 0.000 2.204 401 F HA -0.214 4.313 4.527 0.001 0.000 0.301 401 F C 2.235 178.079 175.800 0.074 0.000 1.058 401 F CA 1.920 59.870 58.000 -0.085 0.000 1.313 401 F CB -0.415 38.523 39.000 -0.105 0.000 1.051 401 F HN 0.672 nan 8.300 nan 0.000 0.505 402 G N -0.886 108.085 108.800 0.285 0.000 2.776 402 G HA2 -0.158 3.803 3.960 0.001 0.000 0.209 402 G HA3 -0.158 3.803 3.960 0.001 0.000 0.209 402 G C 1.269 176.142 174.900 -0.044 0.000 1.145 402 G CA 0.180 45.353 45.100 0.123 0.000 0.791 402 G HN 0.358 nan 8.290 nan 0.000 0.530 403 K N 0.180 120.549 120.400 -0.052 0.000 2.618 403 K HA 0.228 4.548 4.320 0.001 0.000 0.207 403 K C -0.123 176.400 176.600 -0.129 0.000 1.058 403 K CA -0.077 56.142 56.287 -0.114 0.000 1.086 403 K CB 0.707 33.167 32.500 -0.067 0.000 0.827 403 K HN 0.092 nan 8.250 nan 0.000 0.481 404 K N 1.091 121.373 120.400 -0.198 0.000 2.385 404 K HA 0.467 4.787 4.320 0.001 0.000 0.248 404 K C -0.538 175.897 176.600 -0.276 0.000 0.955 404 K CA -1.082 55.082 56.287 -0.205 0.000 0.816 404 K CB 2.180 34.565 32.500 -0.191 0.000 1.250 404 K HN -0.143 nan 8.250 nan 0.000 0.434 405 R N 1.942 122.328 120.500 -0.190 0.000 2.532 405 R HA 0.376 4.716 4.340 0.001 0.000 0.297 405 R C -0.588 175.645 176.300 -0.111 0.000 0.984 405 R CA -0.697 55.303 56.100 -0.166 0.000 0.884 405 R CB 1.157 31.384 30.300 -0.121 0.000 1.182 405 R HN 0.566 nan 8.270 nan 0.000 0.442 406 L N 3.672 124.834 121.223 -0.102 0.000 2.358 406 L HA 0.217 4.557 4.340 0.001 0.000 0.274 406 L C -0.042 176.808 176.870 -0.033 0.000 1.136 406 L CA -0.596 54.214 54.840 -0.050 0.000 0.970 406 L CB 0.126 42.169 42.059 -0.028 0.000 1.314 406 L HN 0.278 nan 8.230 nan 0.000 0.427 407 D N 2.267 122.650 120.400 -0.028 0.000 2.525 407 D HA 0.135 4.776 4.640 0.001 0.000 0.235 407 D C 0.025 176.317 176.300 -0.014 0.000 1.137 407 D CA 0.422 54.417 54.000 -0.008 0.000 0.868 407 D CB 1.925 42.724 40.800 -0.001 0.000 1.180 407 D HN 0.131 nan 8.370 nan 0.000 0.465 408 L N 1.180 122.409 121.223 0.010 0.000 2.293 408 L HA 0.473 4.813 4.340 0.001 0.000 0.264 408 L C 1.524 178.412 176.870 0.031 0.000 1.029 408 L CA -0.477 54.369 54.840 0.010 0.000 0.897 408 L CB 0.770 42.845 42.059 0.027 0.000 1.497 408 L HN 0.396 nan 8.230 nan 0.000 0.495 409 A N 0.172 123.023 122.820 0.052 0.000 1.971 409 A HA -0.164 4.156 4.320 0.001 0.000 0.222 409 A C 1.748 179.411 177.584 0.132 0.000 1.182 409 A CA 2.358 54.460 52.037 0.108 0.000 0.649 409 A CB -1.557 17.556 19.000 0.188 0.000 0.818 409 A HN 0.894 nan 8.150 nan 0.000 0.458 410 G N -0.455 108.424 108.800 0.130 0.000 2.605 410 G HA2 -0.036 3.925 3.960 0.001 0.000 0.215 410 G HA3 -0.036 3.925 3.960 0.001 0.000 0.215 410 G C -0.281 174.584 174.900 -0.057 0.000 1.279 410 G CA 1.011 46.145 45.100 0.058 0.000 0.831 410 G HN 0.442 nan 8.290 nan 0.000 0.560 411 P HA -0.142 nan 4.420 nan 0.000 0.219 411 P C 1.915 179.276 177.300 0.102 0.000 1.149 411 P CA 0.912 64.071 63.100 0.099 0.000 0.835 411 P CB -0.086 31.669 31.700 0.091 0.000 0.778 412 L N -1.857 119.435 121.223 0.116 0.000 1.988 412 L HA -0.160 4.180 4.340 0.001 0.000 0.207 412 L C 2.454 179.490 176.870 0.277 0.000 1.071 412 L CA 1.403 56.441 54.840 0.329 0.000 0.744 412 L CB -1.015 41.240 42.059 0.328 0.000 0.893 412 L HN -0.057 nan 8.230 nan 0.000 0.433 413 L N -0.474 120.746 121.223 -0.004 0.000 2.079 413 L HA -0.234 4.107 4.340 0.001 0.000 0.210 413 L C 2.844 179.603 176.870 -0.184 0.000 1.081 413 L CA 1.025 55.704 54.840 -0.269 0.000 0.752 413 L CB -0.876 40.772 42.059 -0.686 0.000 0.896 413 L HN 0.279 nan 8.230 nan 0.000 0.433 414 A N -0.136 122.586 122.820 -0.163 0.000 1.849 414 A HA -0.344 3.976 4.320 0.001 0.000 0.217 414 A C 2.290 180.005 177.584 0.218 0.000 1.202 414 A CA 2.216 54.419 52.037 0.277 0.000 0.629 414 A CB -0.873 18.295 19.000 0.281 0.000 0.834 414 A HN 0.490 nan 8.150 nan 0.000 0.447 415 Q N -0.706 119.184 119.800 0.150 0.000 2.152 415 Q HA -0.197 4.143 4.340 0.001 0.000 0.206 415 Q C 2.104 178.130 176.000 0.043 0.000 0.985 415 Q CA 1.716 57.589 55.803 0.117 0.000 0.863 415 Q CB -0.218 28.615 28.738 0.158 0.000 0.904 415 Q HN 0.704 nan 8.270 nan 0.000 0.422 416 L N -0.405 120.792 121.223 -0.043 0.000 1.973 416 L HA -0.177 4.163 4.340 0.001 0.000 0.208 416 L C 2.376 179.268 176.870 0.037 0.000 1.073 416 L CA 1.215 55.953 54.840 -0.169 0.000 0.746 416 L CB -0.559 41.235 42.059 -0.443 0.000 0.891 416 L HN 0.292 nan 8.230 nan 0.000 0.433 417 F N 0.990 120.917 119.950 -0.038 0.000 2.115 417 F HA -0.317 4.211 4.527 0.001 0.000 0.300 417 F C 2.492 178.342 175.800 0.084 0.000 1.092 417 F CA 1.698 59.727 58.000 0.049 0.000 1.245 417 F CB -0.386 38.711 39.000 0.161 0.000 0.995 417 F HN -0.031 nan 8.300 nan 0.000 0.481 418 K N -0.722 119.718 120.400 0.067 0.000 1.991 418 K HA -0.161 4.159 4.320 0.001 0.000 0.212 418 K C 1.832 178.410 176.600 -0.037 0.000 1.049 418 K CA 2.135 58.409 56.287 -0.021 0.000 0.932 418 K CB -0.580 31.941 32.500 0.036 0.000 0.717 418 K HN 0.212 nan 8.250 nan 0.000 0.441 419 T N 1.574 116.116 114.554 -0.019 0.000 3.025 419 T HA -0.050 4.300 4.350 0.001 0.000 0.270 419 T C 1.635 176.304 174.700 -0.051 0.000 1.126 419 T CA 0.748 62.825 62.100 -0.039 0.000 1.105 419 T CB 0.022 68.866 68.868 -0.039 0.000 0.884 419 T HN 0.120 nan 8.240 nan 0.000 0.522 420 L N -0.944 120.260 121.223 -0.031 0.000 2.262 420 L HA 0.272 4.612 4.340 0.001 0.000 0.197 420 L C 2.080 178.937 176.870 -0.023 0.000 1.073 420 L CA 0.331 55.166 54.840 -0.009 0.000 0.800 420 L CB -0.449 41.651 42.059 0.068 0.000 0.987 420 L HN 0.111 nan 8.230 nan 0.000 0.470 421 F N 1.727 121.504 119.950 -0.288 0.000 2.236 421 F HA -0.228 4.299 4.527 0.001 0.000 0.302 421 F C 2.193 177.818 175.800 -0.291 0.000 1.073 421 F CA 1.558 59.313 58.000 -0.408 0.000 1.336 421 F CB -0.234 38.259 39.000 -0.845 0.000 1.040 421 F HN -0.088 nan 8.300 nan 0.000 0.507 422 K N -0.129 120.069 120.400 -0.337 0.000 2.167 422 K HA -0.117 4.203 4.320 0.001 0.000 0.203 422 K C 2.109 178.554 176.600 -0.257 0.000 1.052 422 K CA 0.893 56.959 56.287 -0.367 0.000 0.956 422 K CB -0.141 32.228 32.500 -0.218 0.000 0.735 422 K HN 0.194 nan 8.250 nan 0.000 0.451 423 K N 0.855 121.155 120.400 -0.167 0.000 2.217 423 K HA -0.081 4.240 4.320 0.001 0.000 0.202 423 K C 1.917 178.456 176.600 -0.101 0.000 1.051 423 K CA 0.509 56.733 56.287 -0.105 0.000 0.952 423 K CB 0.148 32.609 32.500 -0.065 0.000 0.736 423 K HN -0.015 nan 8.250 nan 0.000 0.453 424 L N 0.621 121.759 121.223 -0.141 0.000 2.095 424 L HA -0.050 4.290 4.340 0.001 0.000 0.204 424 L C 1.951 178.722 176.870 -0.165 0.000 1.080 424 L CA 1.740 56.515 54.840 -0.109 0.000 0.759 424 L CB -0.592 41.426 42.059 -0.067 0.000 0.914 424 L HN 0.046 nan 8.230 nan 0.000 0.439 425 T N 0.464 114.802 114.554 -0.360 0.000 2.684 425 T HA -0.228 4.123 4.350 0.001 0.000 0.267 425 T C 1.267 175.889 174.700 -0.129 0.000 1.036 425 T CA 1.892 63.781 62.100 -0.351 0.000 1.148 425 T CB -0.280 68.246 68.868 -0.569 0.000 0.863 425 T HN 0.477 nan 8.240 nan 0.000 0.436 426 K N 0.722 121.047 120.400 -0.126 0.000 2.862 426 K HA 0.190 4.510 4.320 0.001 0.000 0.229 426 K C 0.458 177.082 176.600 0.040 0.000 1.107 426 K CA 0.175 56.436 56.287 -0.043 0.000 1.222 426 K CB 0.359 32.800 32.500 -0.098 0.000 1.067 426 K HN 0.144 nan 8.250 nan 0.000 0.464 427 D N 0.390 120.823 120.400 0.055 0.000 2.461 427 D HA 0.163 4.803 4.640 0.001 0.000 0.266 427 D C 1.610 177.990 176.300 0.132 0.000 1.085 427 D CA 0.181 54.229 54.000 0.079 0.000 0.887 427 D CB 0.412 41.234 40.800 0.038 0.000 1.309 427 D HN 0.243 nan 8.370 nan 0.000 0.498 428 I N 0.770 121.416 120.570 0.127 0.000 2.493 428 I HA -0.209 3.962 4.170 0.001 0.000 0.254 428 I C 2.143 178.402 176.117 0.236 0.000 1.160 428 I CA 0.728 62.122 61.300 0.156 0.000 1.445 428 I CB -0.129 37.968 38.000 0.161 0.000 1.086 428 I HN -0.068 nan 8.210 nan 0.000 0.433 429 F N 1.741 121.730 119.950 0.065 0.000 2.163 429 F HA -0.092 4.435 4.527 0.001 0.000 0.297 429 F C 2.647 178.489 175.800 0.069 0.000 1.094 429 F CA 1.416 59.451 58.000 0.058 0.000 1.290 429 F CB -0.211 38.805 39.000 0.026 0.000 1.017 429 F HN -0.129 nan 8.300 nan 0.000 0.483 430 R N -1.557 119.071 120.500 0.214 0.000 2.092 430 R HA -0.219 4.122 4.340 0.001 0.000 0.231 430 R C 2.109 178.458 176.300 0.081 0.000 1.119 430 R CA 1.645 57.817 56.100 0.121 0.000 0.970 430 R CB -1.034 29.341 30.300 0.124 0.000 0.864 430 R HN 0.335 nan 8.270 nan 0.000 0.440 431 Y N 1.683 121.986 120.300 0.006 0.000 2.097 431 Y HA -0.274 4.276 4.550 0.001 0.000 0.282 431 Y C 2.331 178.203 175.900 -0.048 0.000 1.152 431 Y CA 1.892 59.986 58.100 -0.009 0.000 1.136 431 Y CB -0.193 38.273 38.460 0.010 0.000 0.975 431 Y HN -0.076 nan 8.280 nan 0.000 0.498 432 M N -0.334 119.296 119.600 0.050 0.000 2.086 432 M HA -0.312 4.168 4.480 0.001 0.000 0.261 432 M C 2.235 178.429 176.300 -0.177 0.000 1.067 432 M CA 2.075 57.324 55.300 -0.086 0.000 1.116 432 M CB -0.589 31.935 32.600 -0.126 0.000 1.348 432 M HN 0.311 nan 8.290 nan 0.000 0.407 433 Q N -0.007 119.673 119.800 -0.200 0.000 2.112 433 Q HA -0.193 4.148 4.340 0.001 0.000 0.206 433 Q C 2.143 178.063 176.000 -0.133 0.000 0.987 433 Q CA 1.601 57.303 55.803 -0.168 0.000 0.858 433 Q CB -0.195 28.462 28.738 -0.134 0.000 0.905 433 Q HN 0.514 nan 8.270 nan 0.000 0.420 434 R N -0.701 119.713 120.500 -0.143 0.000 2.119 434 R HA 0.000 4.341 4.340 0.001 0.000 0.222 434 R C 2.247 178.424 176.300 -0.204 0.000 1.088 434 R CA 1.330 57.341 56.100 -0.149 0.000 0.984 434 R CB -0.028 30.191 30.300 -0.134 0.000 0.884 434 R HN 0.179 nan 8.270 nan 0.000 0.447 435 T N 0.735 115.104 114.554 -0.309 0.000 2.770 435 T HA -0.052 4.299 4.350 0.001 0.000 0.258 435 T C 1.938 176.532 174.700 -0.176 0.000 1.039 435 T CA 1.015 62.927 62.100 -0.313 0.000 1.143 435 T CB -0.070 68.510 68.868 -0.481 0.000 0.866 435 T HN -0.048 nan 8.240 nan 0.000 0.428 436 V N 1.512 121.336 119.914 -0.150 0.000 2.688 436 V HA -0.110 4.011 4.120 0.001 0.000 0.256 436 V C 1.432 177.474 176.094 -0.087 0.000 1.084 436 V CA 1.124 63.363 62.300 -0.102 0.000 1.103 436 V CB -0.751 31.014 31.823 -0.097 0.000 0.688 436 V HN 0.531 nan 8.190 nan 0.000 0.480 447 A N 0.042 122.647 122.820 -0.358 0.000 3.528 447 A HA -0.174 4.146 4.320 0.001 0.000 0.246 447 A C 0.258 177.645 177.584 -0.328 0.000 1.115 447 A CA 1.281 52.882 52.037 -0.726 0.000 1.486 447 A CB -2.157 15.810 19.000 -1.721 0.000 1.018 447 A HN 0.517 nan 8.150 nan 0.000 0.877 448 I N 1.582 122.066 120.570 -0.145 0.000 2.395 448 I HA 0.177 4.347 4.170 0.001 0.000 0.282 448 I C 0.375 176.505 176.117 0.022 0.000 1.107 448 I CA -0.388 60.893 61.300 -0.031 0.000 1.210 448 I CB 0.554 38.570 38.000 0.027 0.000 1.456 448 I HN 0.385 nan 8.210 nan 0.000 0.504 449 N N 4.533 123.246 118.700 0.021 0.000 2.670 449 N HA 0.071 4.811 4.740 0.001 0.000 0.296 449 N C 1.260 176.807 175.510 0.062 0.000 1.216 449 N CA 0.036 53.118 53.050 0.054 0.000 1.123 449 N CB 0.605 39.121 38.487 0.048 0.000 1.459 449 N HN 0.651 nan 8.380 nan 0.000 0.509 450 A N 2.738 125.606 122.820 0.080 0.000 2.253 450 A HA -0.112 4.209 4.320 0.001 0.000 0.203 450 A C 1.933 179.547 177.584 0.051 0.000 1.272 450 A CA 0.597 52.631 52.037 -0.005 0.000 0.847 450 A CB -0.444 18.435 19.000 -0.202 0.000 0.772 450 A HN 0.714 nan 8.150 nan 0.000 0.494 451 K N -1.046 119.409 120.400 0.091 0.000 2.323 451 K HA -0.025 4.296 4.320 0.001 0.000 0.197 451 K C 1.587 178.227 176.600 0.066 0.000 1.043 451 K CA 1.113 57.458 56.287 0.096 0.000 0.997 451 K CB -0.045 32.512 32.500 0.095 0.000 0.807 451 K HN 0.382 nan 8.250 nan 0.000 0.497 452 T N 2.117 116.703 114.554 0.052 0.000 2.580 452 T HA -0.179 4.171 4.350 0.001 0.000 0.265 452 T C 1.828 176.558 174.700 0.050 0.000 1.063 452 T CA 1.919 64.045 62.100 0.043 0.000 1.170 452 T CB -0.232 68.656 68.868 0.035 0.000 0.863 452 T HN 0.165 nan 8.240 nan 0.000 0.418 453 I N 1.182 121.793 120.570 0.067 0.000 2.113 453 I HA -0.199 3.971 4.170 0.001 0.000 0.238 453 I C 2.808 178.962 176.117 0.062 0.000 1.070 453 I CA 1.366 62.725 61.300 0.099 0.000 1.332 453 I CB -1.277 36.818 38.000 0.157 0.000 1.044 453 I HN 0.257 nan 8.210 nan 0.000 0.402 454 T N 1.008 115.590 114.554 0.046 0.000 2.620 454 T HA -0.257 4.093 4.350 0.001 0.000 0.267 454 T C 2.077 176.813 174.700 0.060 0.000 1.044 454 T CA 2.395 64.529 62.100 0.056 0.000 1.161 454 T CB -0.545 68.380 68.868 0.095 0.000 0.862 454 T HN 0.607 nan 8.240 nan 0.000 0.438 455 S N 1.397 117.136 115.700 0.065 0.000 2.335 455 S HA 0.005 4.475 4.470 0.001 0.000 0.216 455 S C 2.445 177.091 174.600 0.076 0.000 1.032 455 S CA 1.199 59.442 58.200 0.072 0.000 1.000 455 S CB -1.450 61.794 63.200 0.073 0.000 0.928 455 S HN 0.547 nan 8.310 nan 0.000 0.434 456 G N 2.511 111.341 108.800 0.049 0.000 2.574 456 G HA2 -0.232 3.728 3.960 0.001 0.000 0.220 456 G HA3 -0.232 3.728 3.960 0.001 0.000 0.220 456 G C 1.473 176.375 174.900 0.003 0.000 1.173 456 G CA 1.323 46.432 45.100 0.016 0.000 0.772 456 G HN 0.476 nan 8.290 nan 0.000 0.585 457 L N -0.096 121.117 121.223 -0.018 0.000 2.043 457 L HA -0.167 4.173 4.340 0.001 0.000 0.212 457 L C 3.089 179.941 176.870 -0.031 0.000 1.075 457 L CA 1.753 56.553 54.840 -0.067 0.000 0.752 457 L CB -0.339 41.699 42.059 -0.036 0.000 0.891 457 L HN 0.276 nan 8.230 nan 0.000 0.432 458 K N -0.922 119.496 120.400 0.029 0.000 1.973 458 K HA -0.252 4.069 4.320 0.001 0.000 0.212 458 K C 2.072 178.710 176.600 0.064 0.000 1.047 458 K CA 1.910 58.221 56.287 0.041 0.000 0.937 458 K CB -0.568 31.962 32.500 0.050 0.000 0.721 458 K HN 0.146 nan 8.250 nan 0.000 0.440 459 Y N 1.545 121.834 120.300 -0.019 0.000 2.062 459 Y HA -0.423 4.127 4.550 0.001 0.000 0.273 459 Y C 2.198 178.101 175.900 0.004 0.000 1.206 459 Y CA 1.908 60.004 58.100 -0.007 0.000 1.125 459 Y CB -0.349 38.102 38.460 -0.015 0.000 0.951 459 Y HN 0.178 nan 8.280 nan 0.000 0.501 460 A N 0.156 123.149 122.820 0.288 0.000 1.837 460 A HA -0.240 4.081 4.320 0.001 0.000 0.216 460 A C 1.873 179.625 177.584 0.280 0.000 1.210 460 A CA 2.136 54.295 52.037 0.203 0.000 0.632 460 A CB -1.323 17.473 19.000 -0.340 0.000 0.843 460 A HN 0.449 nan 8.150 nan 0.000 0.448 461 L N -0.418 120.893 121.223 0.147 0.000 2.642 461 L HA -0.013 4.327 4.340 0.001 0.000 0.236 461 L C 2.453 179.340 176.870 0.028 0.000 1.169 461 L CA 1.272 56.161 54.840 0.082 0.000 0.851 461 L CB -0.644 41.337 42.059 -0.130 0.000 0.968 461 L HN 0.469 nan 8.230 nan 0.000 0.453 462 A N -2.095 120.735 122.820 0.016 0.000 2.014 462 A HA 0.067 4.388 4.320 0.001 0.000 0.210 462 A C 2.096 179.636 177.584 -0.072 0.000 1.188 462 A CA 1.255 53.265 52.037 -0.044 0.000 0.731 462 A CB -0.102 18.840 19.000 -0.098 0.000 0.858 462 A HN 0.369 nan 8.150 nan 0.000 0.464 463 T N -2.621 111.892 114.554 -0.068 0.000 3.151 463 T HA 0.451 4.802 4.350 0.001 0.000 0.239 463 T C 1.448 176.168 174.700 0.033 0.000 0.979 463 T CA 1.008 63.071 62.100 -0.062 0.000 1.194 463 T CB 0.344 69.126 68.868 -0.143 0.000 0.982 463 T HN 1.275 nan 8.240 nan 0.000 0.428 464 G N 1.598 110.476 108.800 0.130 0.000 2.318 464 G HA2 -0.147 3.813 3.960 0.001 0.000 0.172 464 G HA3 -0.147 3.813 3.960 0.001 0.000 0.172 464 G C -0.167 174.855 174.900 0.202 0.000 1.002 464 G CA -0.632 44.537 45.100 0.114 0.000 0.697 464 G HN 0.482 nan 8.290 nan 0.000 0.483 465 N N 1.118 119.989 118.700 0.285 0.000 2.555 465 N HA 0.173 4.913 4.740 0.001 0.000 0.244 465 N C 0.988 176.749 175.510 0.419 0.000 1.114 465 N CA -0.571 52.669 53.050 0.316 0.000 0.963 465 N CB 0.582 39.287 38.487 0.363 0.000 1.276 465 N HN 0.481 nan 8.380 nan 0.000 0.510 466 W N 2.551 123.883 121.300 0.053 0.000 2.207 466 W HA -0.150 4.510 4.660 0.001 0.000 0.321 466 W C 1.633 178.156 176.519 0.007 0.000 1.202 466 W CA 0.454 57.814 57.345 0.026 0.000 1.151 466 W CB -0.165 29.298 29.460 0.005 0.000 1.175 466 W HN 0.474 nan 8.180 nan 0.000 0.461 467 G N 2.232 111.132 108.800 0.167 0.000 2.435 467 G HA2 -0.070 3.891 3.960 0.001 0.000 0.277 467 G HA3 -0.070 3.891 3.960 0.001 0.000 0.277 467 G C -0.037 174.806 174.900 -0.095 0.000 0.612 467 G CA 1.088 46.189 45.100 0.002 0.000 2.058 467 G HN 0.565 nan 8.290 nan 0.000 0.554 468 E N -0.971 119.115 120.200 -0.190 0.000 3.303 468 E HA -0.322 4.028 4.350 0.001 0.000 0.309 468 E C 1.082 177.384 176.600 -0.497 0.000 1.470 468 E CA 1.919 58.136 56.400 -0.304 0.000 1.869 468 E CB -0.660 28.916 29.700 -0.207 0.000 1.914 468 E HN 0.633 nan 8.360 nan 0.000 0.498 469 Q N 0.284 119.837 119.800 -0.412 0.000 3.047 469 Q HA 0.489 4.829 4.340 0.001 0.000 0.211 469 Q C -0.581 175.322 176.000 -0.162 0.000 1.151 469 Q CA -0.700 54.869 55.803 -0.389 0.000 0.364 469 Q CB 0.558 29.047 28.738 -0.414 0.000 5.593 469 Q HN 0.372 nan 8.270 nan 0.000 0.295 470 K N 0.363 120.697 120.400 -0.111 0.000 1.016 470 K HA -0.184 4.137 4.320 0.001 0.000 0.786 470 K C -0.921 175.662 176.600 -0.028 0.000 1.947 470 K CA 0.810 57.065 56.287 -0.054 0.000 1.330 470 K CB -0.328 32.141 32.500 -0.051 0.000 2.468 470 K HN 0.320 nan 8.250 nan 0.000 0.366 471 K N 0.973 121.365 120.400 -0.014 0.000 2.978 471 K HA 0.221 4.541 4.320 0.001 0.000 0.261 471 K C -0.353 176.246 176.600 -0.001 0.000 1.181 471 K CA 0.408 56.694 56.287 -0.002 0.000 1.164 471 K CB -0.101 32.399 32.500 0.001 0.000 1.331 471 K HN 0.439 nan 8.250 nan 0.000 0.266 472 A N 0.874 123.693 122.820 -0.002 0.000 2.540 472 A HA 0.350 4.670 4.320 0.001 0.000 0.297 472 A C 0.158 177.751 177.584 0.014 0.000 1.056 472 A CA -0.758 51.281 52.037 0.003 0.000 0.700 472 A CB 1.001 19.999 19.000 -0.004 0.000 1.280 472 A HN 0.368 nan 8.150 nan 0.000 0.398 473 M N 1.853 121.467 119.600 0.023 0.000 2.561 473 M HA -0.024 4.456 4.480 0.001 0.000 0.238 473 M C 2.027 178.350 176.300 0.037 0.000 1.131 473 M CA 0.877 56.198 55.300 0.035 0.000 1.046 473 M CB -0.406 32.212 32.600 0.030 0.000 1.532 473 M HN 1.052 nan 8.290 nan 0.000 0.497 474 S N 0.647 116.363 115.700 0.026 0.000 2.570 474 S HA -0.298 4.173 4.470 0.001 0.000 0.328 474 S C 1.320 175.948 174.600 0.047 0.000 1.282 474 S CA 2.067 60.283 58.200 0.027 0.000 1.204 474 S CB -1.575 61.633 63.200 0.012 0.000 1.271 474 S HN 0.684 nan 8.310 nan 0.000 0.449 475 S N 3.108 118.850 115.700 0.070 0.000 2.549 475 S HA 0.418 4.888 4.470 0.001 0.000 0.260 475 S C 0.206 174.860 174.600 0.090 0.000 1.217 475 S CA -0.846 57.420 58.200 0.111 0.000 1.001 475 S CB 0.114 63.427 63.200 0.188 0.000 1.059 475 S HN 0.825 nan 8.310 nan 0.000 0.537 476 R N 0.151 120.710 120.500 0.097 0.000 2.310 476 R HA 0.696 5.036 4.340 0.001 0.000 0.316 476 R C -0.485 175.835 176.300 0.034 0.000 1.004 476 R CA -0.596 55.530 56.100 0.042 0.000 0.900 476 R CB 0.675 30.979 30.300 0.005 0.000 1.152 476 R HN 0.658 nan 8.270 nan 0.000 0.513 477 A N 1.866 124.712 122.820 0.043 0.000 2.477 477 A HA 0.547 4.867 4.320 0.001 0.000 0.246 477 A C 1.209 178.785 177.584 -0.014 0.000 1.078 477 A CA 0.723 52.783 52.037 0.038 0.000 0.770 477 A CB 0.259 19.287 19.000 0.047 0.000 1.011 477 A HN 1.039 nan 8.150 nan 0.000 0.494 478 G N 0.735 109.512 108.800 -0.039 0.000 3.876 478 G HA2 -0.026 3.935 3.960 0.001 0.000 0.203 478 G HA3 -0.026 3.935 3.960 0.001 0.000 0.203 478 G C 0.130 174.957 174.900 -0.123 0.000 1.162 478 G CA -0.016 45.044 45.100 -0.068 0.000 0.903 478 G HN 1.292 nan 8.290 nan 0.000 0.390 479 V N 2.206 121.983 119.914 -0.228 0.000 2.694 479 V HA 0.397 4.517 4.120 0.001 0.000 0.306 479 V C 1.155 177.074 176.094 -0.293 0.000 1.054 479 V CA 1.163 63.222 62.300 -0.401 0.000 1.161 479 V CB 0.748 32.038 31.823 -0.887 0.000 0.916 479 V HN 2.093 nan 8.190 nan 0.000 0.490 480 S N 3.093 118.646 115.700 -0.246 0.000 3.530 480 S HA -0.133 4.337 4.470 0.001 0.000 0.618 480 S C -0.437 174.128 174.600 -0.059 0.000 0.591 480 S CA 0.931 59.051 58.200 -0.134 0.000 1.420 480 S CB -0.630 62.528 63.200 -0.071 0.000 0.954 480 S HN 0.927 nan 8.310 nan 0.000 0.956 481 Q N 2.157 121.935 119.800 -0.036 0.000 3.226 481 Q HA 0.805 5.146 4.340 0.001 0.000 0.276 481 Q C -0.661 175.355 176.000 0.026 0.000 1.029 481 Q CA -1.073 54.742 55.803 0.019 0.000 0.854 481 Q CB 0.985 29.779 28.738 0.093 0.000 1.567 481 Q HN 0.468 nan 8.270 nan 0.000 0.481 482 V N 1.990 121.946 119.914 0.070 0.000 2.313 482 V HA 0.163 4.283 4.120 0.001 0.000 0.278 482 V C -0.560 175.583 176.094 0.081 0.000 1.017 482 V CA -0.646 61.675 62.300 0.036 0.000 0.823 482 V CB 0.992 32.818 31.823 0.004 0.000 1.010 482 V HN 0.517 nan 8.190 nan 0.000 0.443 483 L N 5.880 127.088 121.223 -0.026 0.000 2.822 483 L HA -0.084 4.257 4.340 0.001 0.000 0.288 483 L C 0.509 177.394 176.870 0.026 0.000 1.182 483 L CA 0.868 55.680 54.840 -0.047 0.000 0.936 483 L CB -0.142 41.715 42.059 -0.336 0.000 1.269 483 L HN 0.630 nan 8.230 nan 0.000 0.476 484 N N 4.708 123.513 118.700 0.174 0.000 2.416 484 N HA 0.089 4.830 4.740 0.001 0.000 0.265 484 N C 0.142 175.623 175.510 -0.048 0.000 1.195 484 N CA 0.043 53.095 53.050 0.004 0.000 0.943 484 N CB 0.407 38.864 38.487 -0.049 0.000 1.115 484 N HN 0.381 nan 8.380 nan 0.000 0.481 485 R N 1.967 122.377 120.500 -0.150 0.000 3.039 485 R HA 0.167 4.508 4.340 0.001 0.000 0.336 485 R C 0.465 176.522 176.300 -0.406 0.000 1.258 485 R CA -0.343 55.573 56.100 -0.307 0.000 1.125 485 R CB -0.685 29.272 30.300 -0.572 0.000 1.427 485 R HN 0.547 nan 8.270 nan 0.000 0.588 486 Y N -1.108 119.066 120.300 -0.210 0.000 2.153 486 Y HA 0.130 4.681 4.550 0.001 0.000 0.289 486 Y C 0.418 176.327 175.900 0.015 0.000 1.119 486 Y CA 1.199 59.213 58.100 -0.143 0.000 1.116 486 Y CB 0.714 39.106 38.460 -0.112 0.000 1.004 486 Y HN -0.058 nan 8.280 nan 0.000 0.501 487 T N -1.145 113.508 114.554 0.165 0.000 2.900 487 T HA 0.130 4.480 4.350 0.001 0.000 0.303 487 T C -0.314 174.523 174.700 0.228 0.000 1.142 487 T CA -0.596 61.624 62.100 0.200 0.000 1.007 487 T CB 1.302 70.297 68.868 0.212 0.000 1.156 487 T HN 0.142 nan 8.240 nan 0.000 0.490 488 Y N 2.861 123.230 120.300 0.114 0.000 2.002 488 Y HA -0.279 4.271 4.550 0.001 0.000 0.268 488 Y C 2.824 178.783 175.900 0.098 0.000 1.177 488 Y CA 2.890 61.041 58.100 0.086 0.000 1.111 488 Y CB -0.753 37.709 38.460 0.003 0.000 0.952 488 Y HN 0.753 nan 8.280 nan 0.000 0.491 489 S N -1.395 114.397 115.700 0.154 0.000 2.413 489 S HA -0.307 4.163 4.470 0.001 0.000 0.237 489 S C 2.271 176.859 174.600 -0.020 0.000 1.044 489 S CA 1.684 59.923 58.200 0.065 0.000 1.024 489 S CB -1.222 62.085 63.200 0.178 0.000 0.829 489 S HN 0.547 nan 8.310 nan 0.000 0.475 490 S N 1.452 117.163 115.700 0.019 0.000 2.329 490 S HA -0.111 4.359 4.470 0.001 0.000 0.215 490 S C 2.033 176.617 174.600 -0.027 0.000 1.031 490 S CA 1.799 60.001 58.200 0.002 0.000 0.985 490 S CB -1.379 61.849 63.200 0.047 0.000 0.917 490 S HN 0.693 nan 8.310 nan 0.000 0.441 491 T N 3.730 118.257 114.554 -0.046 0.000 2.649 491 T HA -0.159 4.192 4.350 0.001 0.000 0.268 491 T C 1.729 176.364 174.700 -0.108 0.000 1.036 491 T CA 1.831 63.891 62.100 -0.067 0.000 1.157 491 T CB -0.722 68.084 68.868 -0.104 0.000 0.861 491 T HN 0.312 nan 8.240 nan 0.000 0.445 492 L N 0.631 121.716 121.223 -0.229 0.000 1.944 492 L HA -0.185 4.156 4.340 0.001 0.000 0.218 492 L C 2.893 179.705 176.870 -0.097 0.000 1.075 492 L CA 1.759 56.472 54.840 -0.211 0.000 0.767 492 L CB -1.086 40.810 42.059 -0.271 0.000 0.890 492 L HN 0.292 nan 8.230 nan 0.000 0.434 493 S N -1.323 114.332 115.700 -0.075 0.000 2.400 493 S HA -0.344 4.126 4.470 0.001 0.000 0.234 493 S C 2.000 176.616 174.600 0.026 0.000 1.049 493 S CA 1.939 60.116 58.200 -0.037 0.000 1.039 493 S CB -0.567 62.607 63.200 -0.042 0.000 0.856 493 S HN 0.531 nan 8.310 nan 0.000 0.465 494 H N -0.326 118.693 119.070 -0.086 0.000 2.423 494 H HA 0.047 4.603 4.556 0.001 0.000 0.297 494 H C 1.959 177.251 175.328 -0.061 0.000 1.075 494 H CA 1.311 57.313 56.048 -0.075 0.000 1.342 494 H CB -0.019 29.694 29.762 -0.082 0.000 1.395 494 H HN 0.384 nan 8.280 nan 0.000 0.530 495 L N 0.129 121.341 121.223 -0.018 0.000 2.240 495 L HA -0.048 4.292 4.340 0.001 0.000 0.211 495 L C 1.603 178.447 176.870 -0.044 0.000 1.106 495 L CA 0.800 55.596 54.840 -0.073 0.000 0.793 495 L CB 0.033 42.062 42.059 -0.049 0.000 0.927 495 L HN 0.186 nan 8.230 nan 0.000 0.446 496 R N -0.015 120.466 120.500 -0.031 0.000 2.568 496 R HA 0.150 4.491 4.340 0.001 0.000 0.288 496 R C 0.325 176.613 176.300 -0.020 0.000 1.077 496 R CA -0.222 55.858 56.100 -0.033 0.000 1.102 496 R CB -0.033 30.238 30.300 -0.048 0.000 1.278 496 R HN 0.144 nan 8.270 nan 0.000 0.560 497 R N 0.666 121.165 120.500 -0.001 0.000 2.410 497 R HA 0.185 4.525 4.340 0.001 0.000 0.288 497 R C -0.569 175.729 176.300 -0.005 0.000 1.051 497 R CA 0.164 56.270 56.100 0.011 0.000 1.021 497 R CB 1.112 31.459 30.300 0.079 0.000 1.032 497 R HN -0.129 nan 8.270 nan 0.000 0.481 498 T N 2.348 116.896 114.554 -0.010 0.000 2.918 498 T HA 0.362 4.712 4.350 0.001 0.000 0.286 498 T C -0.905 173.785 174.700 -0.017 0.000 1.026 498 T CA -0.602 61.494 62.100 -0.007 0.000 1.031 498 T CB 1.342 70.217 68.868 0.011 0.000 1.046 498 T HN 0.647 nan 8.240 nan 0.000 0.479 499 N N -0.360 118.329 118.700 -0.018 0.000 2.629 499 N HA 0.707 5.447 4.740 0.001 0.000 0.279 499 N C -1.820 173.682 175.510 -0.013 0.000 1.344 499 N CA -0.491 52.543 53.050 -0.027 0.000 0.789 499 N CB 2.184 40.641 38.487 -0.051 0.000 1.508 499 N HN 0.492 nan 8.380 nan 0.000 0.516 500 T N 1.533 116.077 114.554 -0.017 0.000 3.483 500 T HA 0.360 4.711 4.350 0.001 0.000 0.329 500 T C -2.944 171.748 174.700 -0.013 0.000 1.014 500 T CA -0.625 61.472 62.100 -0.004 0.000 1.056 500 T CB 1.767 70.642 68.868 0.011 0.000 1.090 500 T HN 0.423 nan 8.240 nan 0.000 0.460 501 P HA 0.457 nan 4.420 nan 0.000 0.282 501 P C -0.713 176.581 177.300 -0.011 0.000 1.274 501 P CA -0.520 62.571 63.100 -0.015 0.000 0.770 501 P CB 0.448 32.139 31.700 -0.015 0.000 0.867 511 P HA -0.015 nan 4.420 nan 0.000 0.213 511 P C 1.099 178.434 177.300 0.060 0.000 1.170 511 P CA 1.389 64.517 63.100 0.048 0.000 0.898 511 P CB -0.075 31.640 31.700 0.024 0.000 0.787 512 R N -0.678 119.840 120.500 0.029 0.000 2.119 512 R HA -0.142 4.198 4.340 0.001 0.000 0.246 512 R C 1.253 177.569 176.300 0.027 0.000 1.146 512 R CA 0.875 56.984 56.100 0.015 0.000 0.962 512 R CB -0.993 29.308 30.300 0.002 0.000 0.863 512 R HN 0.294 nan 8.270 nan 0.000 0.442 513 Q N 0.660 120.488 119.800 0.047 0.000 2.427 513 Q HA -0.054 4.287 4.340 0.001 0.000 0.310 513 Q C -0.777 175.286 176.000 0.105 0.000 1.167 513 Q CA 0.361 56.200 55.803 0.061 0.000 0.991 513 Q CB 0.338 29.116 28.738 0.067 0.000 1.287 513 Q HN 0.058 nan 8.270 nan 0.000 0.443 514 L N 3.106 124.383 121.223 0.089 0.000 2.261 514 L HA 0.274 4.615 4.340 0.001 0.000 0.289 514 L C -0.967 176.027 176.870 0.206 0.000 1.059 514 L CA 0.027 54.952 54.840 0.142 0.000 0.816 514 L CB 0.305 42.395 42.059 0.052 0.000 1.191 514 L HN 0.658 nan 8.230 nan 0.000 0.431 515 H N 2.962 122.222 119.070 0.317 0.000 2.505 515 H HA 0.337 4.894 4.556 0.001 0.000 0.355 515 H C 1.007 176.324 175.328 -0.019 0.000 1.179 515 H CA 0.555 56.599 56.048 -0.007 0.000 1.343 515 H CB 1.009 30.545 29.762 -0.377 0.000 1.501 515 H HN 0.783 nan 8.280 nan 0.000 0.569 516 N N 0.320 118.792 118.700 -0.381 0.000 2.084 516 N HA -0.191 4.549 4.740 0.001 0.000 0.190 516 N C 1.526 177.083 175.510 0.079 0.000 1.030 516 N CA 1.534 54.514 53.050 -0.117 0.000 0.849 516 N CB -0.132 38.215 38.487 -0.233 0.000 1.012 516 N HN 0.733 nan 8.380 nan 0.000 0.423 517 T N -0.537 114.121 114.554 0.173 0.000 2.869 517 T HA -0.203 4.148 4.350 0.001 0.000 0.270 517 T C 1.493 176.252 174.700 0.099 0.000 1.082 517 T CA 1.178 63.328 62.100 0.083 0.000 1.123 517 T CB -0.536 68.266 68.868 -0.109 0.000 0.856 517 T HN 0.287 nan 8.240 nan 0.000 0.499 518 H N -0.549 118.552 119.070 0.051 0.000 2.491 518 H HA 0.058 4.615 4.556 0.001 0.000 0.290 518 H C 1.077 176.389 175.328 -0.026 0.000 1.050 518 H CA 0.393 56.331 56.048 -0.183 0.000 1.309 518 H CB -0.638 28.984 29.762 -0.233 0.000 1.392 518 H HN 0.581 nan 8.280 nan 0.000 0.554 519 W N 2.283 123.617 121.300 0.057 0.000 2.480 519 W HA -0.006 4.654 4.660 0.001 0.000 0.337 519 W C 1.199 177.747 176.519 0.050 0.000 1.201 519 W CA 1.975 59.343 57.345 0.038 0.000 1.309 519 W CB 0.067 29.540 29.460 0.021 0.000 1.168 519 W HN 0.529 nan 8.180 nan 0.000 0.566 520 G N 4.011 112.379 108.800 -0.720 0.000 2.480 520 G HA2 -0.387 3.573 3.960 0.001 0.000 0.246 520 G HA3 -0.387 3.573 3.960 0.001 0.000 0.246 520 G C 0.994 175.821 174.900 -0.121 0.000 1.073 520 G CA 0.858 45.704 45.100 -0.423 0.000 0.643 520 G HN 0.583 nan 8.290 nan 0.000 0.525 521 L N -0.345 120.872 121.223 -0.009 0.000 2.168 521 L HA 0.315 4.655 4.340 0.001 0.000 0.203 521 L C 1.140 178.002 176.870 -0.012 0.000 1.078 521 L CA 0.811 55.691 54.840 0.066 0.000 0.780 521 L CB -0.170 42.055 42.059 0.277 0.000 0.939 521 L HN 0.197 nan 8.230 nan 0.000 0.451 522 V N -0.947 118.900 119.914 -0.112 0.000 2.864 522 V HA 0.208 4.328 4.120 0.001 0.000 0.314 522 V C -0.321 175.662 176.094 -0.185 0.000 1.073 522 V CA -1.199 60.996 62.300 -0.175 0.000 0.956 522 V CB 2.678 34.295 31.823 -0.344 0.000 1.023 522 V HN 0.225 nan 8.190 nan 0.000 0.435 523 C N 6.213 125.418 119.300 -0.159 0.000 2.644 523 C HA 0.337 4.797 4.460 0.001 0.000 0.417 523 C C -0.287 174.615 174.990 -0.146 0.000 1.304 523 C CA -0.772 58.161 59.018 -0.141 0.000 2.035 523 C CB 0.590 28.265 27.740 -0.108 0.000 2.673 523 C HN 0.861 nan 8.230 nan 0.000 0.602 524 P HA 0.089 nan 4.420 nan 0.000 0.230 524 P C 0.607 177.868 177.300 -0.065 0.000 1.168 524 P CA 1.452 64.500 63.100 -0.086 0.000 0.793 524 P CB 0.238 31.907 31.700 -0.050 0.000 0.851 525 A N -0.074 122.710 122.820 -0.061 0.000 2.259 525 A HA 0.101 4.421 4.320 0.001 0.000 0.213 525 A C 1.178 178.740 177.584 -0.036 0.000 1.209 525 A CA -0.078 51.934 52.037 -0.041 0.000 0.910 525 A CB -0.372 18.607 19.000 -0.036 0.000 0.946 525 A HN 0.168 nan 8.150 nan 0.000 0.497 526 E N 1.188 121.355 120.200 -0.055 0.000 1.996 526 E HA 0.396 4.746 4.350 0.001 0.000 0.280 526 E C -0.759 175.806 176.600 -0.058 0.000 1.092 526 E CA 0.111 56.480 56.400 -0.051 0.000 0.862 526 E CB 0.140 29.803 29.700 -0.061 0.000 1.066 526 E HN 0.150 nan 8.360 nan 0.000 0.396 527 T N 4.379 118.909 114.554 -0.041 0.000 2.957 527 T HA 0.336 4.687 4.350 0.001 0.000 0.336 527 T C -2.849 171.829 174.700 -0.036 0.000 1.462 527 T CA -1.432 60.638 62.100 -0.049 0.000 1.073 527 T CB 1.509 70.344 68.868 -0.055 0.000 1.319 527 T HN 0.339 nan 8.240 nan 0.000 0.485 528 P HA 0.247 nan 4.420 nan 0.000 0.269 528 P C -0.509 176.761 177.300 -0.049 0.000 1.209 528 P CA -0.125 62.939 63.100 -0.059 0.000 0.776 528 P CB 0.635 32.294 31.700 -0.069 0.000 0.876 529 E N 0.751 120.909 120.200 -0.069 0.000 2.373 529 E HA 0.360 4.710 4.350 0.001 0.000 0.263 529 E C 1.086 177.649 176.600 -0.062 0.000 1.073 529 E CA -0.308 56.052 56.400 -0.067 0.000 0.894 529 E CB 0.147 29.762 29.700 -0.142 0.000 1.008 529 E HN 0.715 nan 8.360 nan 0.000 0.420 530 G N 1.708 110.481 108.800 -0.044 0.000 2.566 530 G HA2 -0.451 3.509 3.960 0.001 0.000 0.308 530 G HA3 -0.451 3.509 3.960 0.001 0.000 0.308 530 G C 0.521 175.396 174.900 -0.042 0.000 1.317 530 G CA 0.939 46.014 45.100 -0.041 0.000 0.930 530 G HN 0.961 nan 8.290 nan 0.000 0.547 531 Q N -2.663 117.112 119.800 -0.042 0.000 2.443 531 Q HA -0.286 4.054 4.340 0.001 0.000 0.445 531 Q C 1.514 177.492 176.000 -0.036 0.000 0.566 531 Q CA 2.716 58.495 55.803 -0.040 0.000 0.976 531 Q CB -1.703 27.007 28.738 -0.047 0.000 2.346 531 Q HN 2.461 nan 8.270 nan 0.000 1.001 532 A N 0.837 123.633 122.820 -0.040 0.000 3.168 532 A HA 0.448 4.769 4.320 0.001 0.000 0.260 532 A C -0.042 177.519 177.584 -0.039 0.000 1.598 532 A CA 0.046 52.061 52.037 -0.037 0.000 1.285 532 A CB -0.288 18.688 19.000 -0.039 0.000 1.149 532 A HN 0.554 nan 8.150 nan 0.000 0.630 533 C N 0.938 120.217 119.300 -0.034 0.000 2.347 533 C HA 0.599 5.060 4.460 0.001 0.000 0.353 533 C C 1.602 176.574 174.990 -0.030 0.000 1.273 533 C CA 1.015 60.014 59.018 -0.032 0.000 1.861 533 C CB -0.920 26.807 27.740 -0.022 0.000 2.420 533 C HN 1.847 nan 8.230 nan 0.000 0.542 534 G N 4.732 113.507 108.800 -0.042 0.000 2.179 534 G HA2 -0.256 3.705 3.960 0.001 0.000 0.260 534 G HA3 -0.256 3.705 3.960 0.001 0.000 0.260 534 G C 0.472 175.343 174.900 -0.049 0.000 0.977 534 G CA 0.694 45.763 45.100 -0.052 0.000 0.641 534 G HN 0.761 nan 8.290 nan 0.000 0.533 535 L N -0.300 120.900 121.223 -0.039 0.000 2.253 535 L HA 0.331 4.672 4.340 0.001 0.000 0.205 535 L C 1.260 178.109 176.870 -0.035 0.000 1.078 535 L CA 0.495 55.318 54.840 -0.028 0.000 0.805 535 L CB 0.362 42.406 42.059 -0.024 0.000 0.963 535 L HN 0.141 nan 8.230 nan 0.000 0.459 536 V N 1.154 121.040 119.914 -0.047 0.000 2.407 536 V HA 0.232 4.353 4.120 0.001 0.000 0.278 536 V C -0.214 175.840 176.094 -0.067 0.000 1.037 536 V CA -0.433 61.837 62.300 -0.049 0.000 0.900 536 V CB 1.280 33.072 31.823 -0.051 0.000 0.983 536 V HN 0.166 nan 8.190 nan 0.000 0.459 537 K N 3.883 124.243 120.400 -0.067 0.000 2.395 537 K HA 0.590 4.910 4.320 0.001 0.000 0.247 537 K C -1.021 175.536 176.600 -0.071 0.000 0.973 537 K CA -1.017 55.211 56.287 -0.098 0.000 0.828 537 K CB 1.938 34.349 32.500 -0.148 0.000 1.272 537 K HN 0.481 nan 8.250 nan 0.000 0.439 538 N N 1.722 120.370 118.700 -0.086 0.000 2.346 538 N HA 0.314 5.054 4.740 0.001 0.000 0.289 538 N C -0.732 174.735 175.510 -0.072 0.000 1.027 538 N CA -0.552 52.458 53.050 -0.065 0.000 0.864 538 N CB 1.511 39.960 38.487 -0.063 0.000 1.370 538 N HN 0.371 nan 8.380 nan 0.000 0.481 539 L N 1.274 122.467 121.223 -0.049 0.000 2.506 539 L HA 0.076 4.417 4.340 0.001 0.000 0.281 539 L C 1.383 178.218 176.870 -0.057 0.000 1.228 539 L CA 0.242 55.057 54.840 -0.042 0.000 0.850 539 L CB 0.157 42.198 42.059 -0.031 0.000 1.110 539 L HN 0.403 nan 8.230 nan 0.000 0.496 540 S N 1.662 117.326 115.700 -0.059 0.000 2.634 540 S HA 0.151 4.622 4.470 0.001 0.000 0.254 540 S C 1.335 175.917 174.600 -0.030 0.000 1.299 540 S CA -0.582 57.582 58.200 -0.060 0.000 0.974 540 S CB 0.514 63.667 63.200 -0.079 0.000 1.001 540 S HN 0.462 nan 8.310 nan 0.000 0.584 541 L N 0.381 121.607 121.223 0.005 0.000 2.068 541 L HA -0.069 4.272 4.340 0.001 0.000 0.204 541 L C 2.444 179.371 176.870 0.096 0.000 1.076 541 L CA 0.930 55.810 54.840 0.068 0.000 0.753 541 L CB -0.383 41.771 42.059 0.158 0.000 0.910 541 L HN 0.565 nan 8.230 nan 0.000 0.439 542 M N 0.059 119.723 119.600 0.107 0.000 2.175 542 M HA -0.037 4.444 4.480 0.001 0.000 0.264 542 M C 1.411 177.814 176.300 0.171 0.000 1.063 542 M CA 0.638 56.078 55.300 0.234 0.000 1.119 542 M CB -1.187 31.535 32.600 0.203 0.000 1.377 542 M HN 0.271 nan 8.290 nan 0.000 0.415 543 S N 0.379 116.095 115.700 0.027 0.000 2.558 543 S HA 0.203 4.674 4.470 0.001 0.000 0.287 543 S C 0.190 174.682 174.600 -0.179 0.000 1.321 543 S CA -0.736 57.416 58.200 -0.081 0.000 1.048 543 S CB 0.402 63.566 63.200 -0.059 0.000 0.844 543 S HN 0.440 nan 8.310 nan 0.000 0.512 544 C N 1.394 120.422 119.300 -0.454 0.000 3.285 544 C HA 0.678 5.138 4.460 0.001 0.000 0.320 544 C C -0.428 174.109 174.990 -0.755 0.000 1.411 544 C CA -1.012 57.684 59.018 -0.536 0.000 1.429 544 C CB 0.834 28.224 27.740 -0.583 0.000 1.812 544 C HN 0.918 nan 8.230 nan 0.000 0.454 545 I N 1.854 122.158 120.570 -0.444 0.000 2.436 545 I HA 0.314 4.484 4.170 0.001 0.000 0.289 545 I C 0.413 176.569 176.117 0.066 0.000 1.010 545 I CA 0.051 61.215 61.300 -0.226 0.000 1.098 545 I CB 1.918 39.865 38.000 -0.088 0.000 1.266 545 I HN 0.823 nan 8.210 nan 0.000 0.434 546 S N 4.599 120.478 115.700 0.298 0.000 2.626 546 S HA -0.011 4.459 4.470 0.001 0.000 0.303 546 S C 0.647 175.353 174.600 0.176 0.000 1.256 546 S CA -0.393 58.024 58.200 0.360 0.000 1.069 546 S CB 1.211 64.559 63.200 0.245 0.000 0.807 546 S HN 0.574 nan 8.310 nan 0.000 0.500 547 V N 3.751 123.760 119.914 0.159 0.000 3.354 547 V HA 0.448 4.569 4.120 0.001 0.000 0.258 547 V C 1.110 177.251 176.094 0.078 0.000 1.159 547 V CA 1.390 63.748 62.300 0.098 0.000 1.125 547 V CB -0.873 30.995 31.823 0.075 0.000 0.774 547 V HN 1.765 nan 8.190 nan 0.000 0.464 548 G N 0.038 108.889 108.800 0.085 0.000 2.911 548 G HA2 -0.034 3.926 3.960 0.001 0.000 0.686 548 G HA3 -0.034 3.926 3.960 0.001 0.000 0.686 548 G C -0.413 174.531 174.900 0.072 0.000 1.136 548 G CA -0.264 44.882 45.100 0.076 0.000 0.764 548 G HN 0.523 nan 8.290 nan 0.000 0.626 549 T N 0.955 115.555 114.554 0.077 0.000 2.678 549 T HA 0.729 5.079 4.350 0.001 0.000 0.260 549 T C -0.643 174.107 174.700 0.084 0.000 0.932 549 T CA -0.420 61.727 62.100 0.078 0.000 1.043 549 T CB 1.760 70.665 68.868 0.061 0.000 1.413 549 T HN 0.711 nan 8.240 nan 0.000 0.568 550 D N 0.908 121.353 120.400 0.075 0.000 2.248 550 D HA 0.345 4.985 4.640 0.001 0.000 0.246 550 D C -1.488 174.842 176.300 0.051 0.000 1.027 550 D CA -2.259 51.781 54.000 0.067 0.000 0.853 550 D CB 2.207 43.045 40.800 0.063 0.000 1.243 550 D HN 0.075 nan 8.370 nan 0.000 0.462 551 P HA -0.089 nan 4.420 nan 0.000 0.213 551 P C 1.836 179.139 177.300 0.005 0.000 1.169 551 P CA 0.866 63.991 63.100 0.042 0.000 0.885 551 P CB 0.530 32.274 31.700 0.073 0.000 0.779 552 M N 0.598 120.201 119.600 0.007 0.000 2.204 552 M HA -0.154 4.327 4.480 0.001 0.000 0.255 552 M C -0.384 175.925 176.300 0.015 0.000 1.073 552 M CA 3.427 58.727 55.300 -0.001 0.000 1.084 552 M CB -2.513 30.094 32.600 0.012 0.000 1.289 552 M HN 0.033 nan 8.290 nan 0.000 0.419 553 P HA -0.142 nan 4.420 nan 0.000 0.227 553 P C 0.936 178.263 177.300 0.045 0.000 1.145 553 P CA 1.561 64.691 63.100 0.049 0.000 0.769 553 P CB -0.304 31.419 31.700 0.038 0.000 0.769 554 I N -2.793 117.770 120.570 -0.012 0.000 4.288 554 I HA 0.112 4.283 4.170 0.001 0.000 0.331 554 I C 2.256 178.343 176.117 -0.050 0.000 1.322 554 I CA -0.049 61.193 61.300 -0.096 0.000 1.149 554 I CB 0.227 38.140 38.000 -0.146 0.000 1.112 554 I HN -0.190 nan 8.210 nan 0.000 0.403 555 I N 0.655 121.198 120.570 -0.046 0.000 2.385 555 I HA -0.151 4.019 4.170 0.001 0.000 0.244 555 I C 2.425 178.538 176.117 -0.007 0.000 1.089 555 I CA 1.219 62.449 61.300 -0.117 0.000 1.410 555 I CB -0.058 37.802 38.000 -0.233 0.000 1.117 555 I HN 0.095 nan 8.210 nan 0.000 0.429 556 T N 1.316 115.890 114.554 0.033 0.000 2.699 556 T HA -0.268 4.083 4.350 0.001 0.000 0.268 556 T C 1.691 176.480 174.700 0.149 0.000 1.036 556 T CA 1.831 63.972 62.100 0.070 0.000 1.147 556 T CB -0.520 68.386 68.868 0.065 0.000 0.862 556 T HN 0.323 nan 8.240 nan 0.000 0.446 557 F N 1.187 121.136 119.950 -0.001 0.000 2.095 557 F HA -0.101 4.427 4.527 0.001 0.000 0.298 557 F C 2.004 177.837 175.800 0.055 0.000 1.104 557 F CA 1.092 59.105 58.000 0.022 0.000 1.232 557 F CB -0.212 38.751 39.000 -0.061 0.000 0.987 557 F HN 0.058 nan 8.300 nan 0.000 0.475 558 L N 0.358 121.871 121.223 0.483 0.000 1.955 558 L HA -0.294 4.046 4.340 0.001 0.000 0.213 558 L C 2.870 179.871 176.870 0.218 0.000 1.072 558 L CA 1.812 56.845 54.840 0.322 0.000 0.755 558 L CB -1.107 41.017 42.059 0.108 0.000 0.888 558 L HN 0.329 nan 8.230 nan 0.000 0.432 559 S N -0.615 115.161 115.700 0.127 0.000 2.428 559 S HA -0.274 4.197 4.470 0.001 0.000 0.240 559 S C 1.300 175.952 174.600 0.086 0.000 1.036 559 S CA 1.607 59.858 58.200 0.084 0.000 1.009 559 S CB -0.608 62.621 63.200 0.048 0.000 0.803 559 S HN 0.522 nan 8.310 nan 0.000 0.486 560 E N -0.971 119.301 120.200 0.121 0.000 2.370 560 E HA 0.160 4.511 4.350 0.001 0.000 0.194 560 E C -0.613 176.016 176.600 0.049 0.000 1.057 560 E CA -0.230 56.202 56.400 0.054 0.000 1.011 560 E CB 0.080 29.791 29.700 0.018 0.000 1.132 560 E HN 0.757 nan 8.360 nan 0.000 0.450 561 W N -0.853 120.403 121.300 -0.072 0.000 1.497 561 W HA 0.251 4.912 4.660 0.001 0.000 0.221 561 W C 1.016 177.508 176.519 -0.046 0.000 0.795 561 W CA -0.018 57.287 57.345 -0.067 0.000 1.057 561 W CB 1.387 30.823 29.460 -0.041 0.000 0.935 561 W HN 0.171 nan 8.180 nan 0.000 0.468 562 G N 0.248 109.135 108.800 0.145 0.000 2.672 562 G HA2 -0.171 3.789 3.960 0.001 0.000 0.197 562 G HA3 -0.171 3.789 3.960 0.001 0.000 0.197 562 G C 0.097 175.193 174.900 0.326 0.000 0.995 562 G CA -0.313 44.932 45.100 0.242 0.000 0.754 562 G HN 0.027 nan 8.290 nan 0.000 0.505 563 M N 2.745 122.426 119.600 0.134 0.000 2.266 563 M HA 0.405 4.886 4.480 0.001 0.000 0.340 563 M C -0.046 176.313 176.300 0.099 0.000 1.486 563 M CA 0.120 55.499 55.300 0.132 0.000 1.209 563 M CB 0.034 32.681 32.600 0.078 0.000 1.714 563 M HN 0.166 nan 8.290 nan 0.000 0.459 564 E N 8.019 128.279 120.200 0.100 0.000 2.029 564 E HA 0.172 4.522 4.350 0.001 0.000 0.276 564 E C -2.118 174.471 176.600 -0.018 0.000 1.163 564 E CA -1.717 54.705 56.400 0.036 0.000 0.909 564 E CB -0.081 29.639 29.700 0.034 0.000 1.046 564 E HN 0.499 nan 8.360 nan 0.000 0.406 565 P HA -0.167 nan 4.420 nan 0.000 0.264 565 P C 0.639 177.840 177.300 -0.165 0.000 1.173 565 P CA 0.050 63.111 63.100 -0.066 0.000 0.761 565 P CB 0.848 32.527 31.700 -0.034 0.000 0.794 566 L N 3.312 124.369 121.223 -0.277 0.000 2.127 566 L HA -0.198 4.142 4.340 0.001 0.000 0.211 566 L C 2.317 178.932 176.870 -0.426 0.000 1.089 566 L CA 1.826 56.339 54.840 -0.545 0.000 0.757 566 L CB -0.921 40.717 42.059 -0.702 0.000 0.899 566 L HN 0.298 nan 8.230 nan 0.000 0.434 567 E N 0.108 120.179 120.200 -0.215 0.000 2.086 567 E HA -0.212 4.139 4.350 0.001 0.000 0.205 567 E C 0.276 176.810 176.600 -0.110 0.000 1.027 567 E CA 1.536 57.855 56.400 -0.135 0.000 0.830 567 E CB -0.565 29.067 29.700 -0.112 0.000 0.751 567 E HN 0.619 nan 8.360 nan 0.000 0.456 568 D N 0.081 120.412 120.400 -0.116 0.000 2.499 568 D HA 0.130 4.771 4.640 0.001 0.000 0.225 568 D C -0.786 175.461 176.300 -0.088 0.000 1.124 568 D CA -0.149 53.804 54.000 -0.078 0.000 0.938 568 D CB -0.054 40.706 40.800 -0.067 0.000 1.014 568 D HN 0.038 nan 8.370 nan 0.000 0.517 569 Y N 1.398 121.531 120.300 -0.278 0.000 2.376 569 Y HA 0.363 4.914 4.550 0.001 0.000 0.340 569 Y C -0.663 175.166 175.900 -0.118 0.000 0.965 569 Y CA -1.148 56.750 58.100 -0.337 0.000 1.078 569 Y CB 1.578 39.549 38.460 -0.816 0.000 1.193 569 Y HN 0.074 nan 8.280 nan 0.000 0.452 570 V N 6.956 126.426 119.914 -0.740 0.000 2.380 570 V HA 0.418 4.539 4.120 0.001 0.000 0.272 570 V C -2.094 173.497 176.094 -0.839 0.000 1.011 570 V CA -1.796 60.143 62.300 -0.602 0.000 0.826 570 V CB 0.908 32.472 31.823 -0.431 0.000 1.040 570 V HN 0.694 nan 8.190 nan 0.000 0.441 571 P HA -0.311 nan 4.420 nan 0.000 0.212 571 P C 1.406 178.571 177.300 -0.226 0.000 1.128 571 P CA 2.723 65.594 63.100 -0.380 0.000 0.961 571 P CB -0.244 31.470 31.700 0.023 0.000 0.782 572 H N -0.716 118.296 119.070 -0.098 0.000 2.545 572 H HA -0.016 4.541 4.556 0.001 0.000 0.282 572 H C 2.000 177.284 175.328 -0.072 0.000 1.020 572 H CA 1.115 57.134 56.048 -0.049 0.000 1.243 572 H CB -0.911 28.837 29.762 -0.024 0.000 1.377 572 H HN 0.336 nan 8.280 nan 0.000 0.581 573 Q N 1.326 120.872 119.800 -0.423 0.000 2.245 573 Q HA 0.029 4.369 4.340 0.001 0.000 0.201 573 Q C -0.009 175.881 176.000 -0.182 0.000 0.955 573 Q CA 0.517 56.158 55.803 -0.271 0.000 0.870 573 Q CB 0.552 29.092 28.738 -0.331 0.000 0.945 573 Q HN 0.227 nan 8.270 nan 0.000 0.461 574 S N 1.603 117.172 115.700 -0.218 0.000 2.395 574 S HA 0.222 4.692 4.470 0.001 0.000 0.207 574 S C -2.151 172.421 174.600 -0.045 0.000 1.454 574 S CA -1.080 57.044 58.200 -0.127 0.000 1.211 574 S CB 1.657 64.763 63.200 -0.158 0.000 1.093 574 S HN 0.281 nan 8.310 nan 0.000 0.472 575 P HA -0.063 nan 4.420 nan 0.000 0.212 575 P C 0.193 177.561 177.300 0.114 0.000 1.180 575 P CA 1.197 64.344 63.100 0.078 0.000 0.902 575 P CB 0.098 31.839 31.700 0.068 0.000 0.778 576 D N 0.348 120.799 120.400 0.085 0.000 2.344 576 D HA 0.201 4.841 4.640 0.001 0.000 0.242 576 D C 0.510 176.871 176.300 0.102 0.000 1.159 576 D CA 0.067 54.123 54.000 0.093 0.000 0.859 576 D CB -0.413 40.423 40.800 0.061 0.000 0.925 576 D HN 0.151 nan 8.370 nan 0.000 0.510 577 A N 0.740 123.641 122.820 0.134 0.000 2.561 577 A HA 0.057 4.378 4.320 0.001 0.000 0.251 577 A C 0.786 178.472 177.584 0.170 0.000 1.062 577 A CA 0.380 52.516 52.037 0.164 0.000 0.761 577 A CB -0.027 19.148 19.000 0.292 0.000 0.986 577 A HN 0.015 nan 8.150 nan 0.000 0.510 578 T N 4.820 119.452 114.554 0.131 0.000 3.477 578 T HA 0.246 4.596 4.350 0.001 0.000 0.347 578 T C 0.562 175.338 174.700 0.126 0.000 1.567 578 T CA -0.391 61.786 62.100 0.128 0.000 1.169 578 T CB -0.578 68.361 68.868 0.119 0.000 1.196 578 T HN 0.773 nan 8.240 nan 0.000 0.768 579 R N 0.931 121.500 120.500 0.115 0.000 2.494 579 R HA 0.156 4.497 4.340 0.001 0.000 0.291 579 R C -0.720 175.518 176.300 -0.104 0.000 0.953 579 R CA -0.237 55.912 56.100 0.082 0.000 1.098 579 R CB -0.167 30.094 30.300 -0.064 0.000 0.911 579 R HN 0.152 nan 8.270 nan 0.000 0.407 580 V N 4.964 124.855 119.914 -0.038 0.000 2.427 580 V HA 0.389 4.509 4.120 0.001 0.000 0.286 580 V C -0.350 175.647 176.094 -0.162 0.000 1.034 580 V CA -0.454 61.815 62.300 -0.053 0.000 0.893 580 V CB 0.874 32.735 31.823 0.064 0.000 0.982 580 V HN 0.577 nan 8.190 nan 0.000 0.452 581 F N 3.254 123.212 119.950 0.014 0.000 2.508 581 F HA 0.719 5.246 4.527 0.001 0.000 0.325 581 F C -0.058 175.755 175.800 0.023 0.000 1.090 581 F CA -0.809 57.195 58.000 0.007 0.000 0.945 581 F CB 2.184 41.124 39.000 -0.101 0.000 1.156 581 F HN 0.216 nan 8.300 nan 0.000 0.463 582 V N 3.665 123.795 119.914 0.360 0.000 2.623 582 V HA 0.310 4.430 4.120 0.001 0.000 0.304 582 V C -0.618 175.676 176.094 0.334 0.000 1.054 582 V CA -0.962 61.508 62.300 0.283 0.000 0.882 582 V CB 1.649 33.680 31.823 0.346 0.000 1.002 582 V HN 0.841 nan 8.190 nan 0.000 0.424 583 N N 4.359 123.281 118.700 0.370 0.000 2.701 583 N HA -0.209 4.532 4.740 0.001 0.000 0.250 583 N C 0.986 176.718 175.510 0.371 0.000 1.046 583 N CA 1.834 55.150 53.050 0.443 0.000 0.733 583 N CB -1.061 37.595 38.487 0.281 0.000 0.973 583 N HN 1.658 nan 8.380 nan 0.000 0.541 584 G N -2.936 106.126 108.800 0.436 0.000 2.160 584 G HA2 -0.250 3.710 3.960 0.001 0.000 0.244 584 G HA3 -0.250 3.710 3.960 0.001 0.000 0.244 584 G C -0.124 174.998 174.900 0.371 0.000 1.022 584 G CA 0.321 45.598 45.100 0.295 0.000 0.741 584 G HN 0.546 nan 8.290 nan 0.000 0.508 585 V N -0.571 119.586 119.914 0.405 0.000 2.680 585 V HA 0.693 4.814 4.120 0.001 0.000 0.309 585 V C -0.115 176.170 176.094 0.317 0.000 1.052 585 V CA -1.269 61.178 62.300 0.245 0.000 0.908 585 V CB 1.967 33.696 31.823 -0.158 0.000 1.001 585 V HN 0.298 nan 8.190 nan 0.000 0.431 586 W N 4.217 125.546 121.300 0.048 0.000 2.433 586 W HA 0.428 5.088 4.660 0.001 0.000 0.331 586 W C 0.691 177.009 176.519 -0.336 0.000 1.110 586 W CA -0.649 56.531 57.345 -0.275 0.000 1.450 586 W CB 0.042 29.443 29.460 -0.098 0.000 1.348 586 W HN 0.670 nan 8.180 nan 0.000 0.415 587 H N 3.750 122.910 119.070 0.150 0.000 2.519 587 H HA 0.297 4.853 4.556 0.001 0.000 0.289 587 H C 1.275 176.538 175.328 -0.108 0.000 1.040 587 H CA 0.968 57.025 56.048 0.015 0.000 1.165 587 H CB 0.104 29.895 29.762 0.049 0.000 1.462 587 H HN 0.589 nan 8.280 nan 0.000 0.555 588 G N -0.179 108.485 108.800 -0.226 0.000 2.342 588 G HA2 -0.090 3.870 3.960 0.001 0.000 0.220 588 G HA3 -0.090 3.870 3.960 0.001 0.000 0.220 588 G C -0.999 173.801 174.900 -0.168 0.000 1.243 588 G CA -0.270 44.604 45.100 -0.376 0.000 1.083 588 G HN 0.162 nan 8.290 nan 0.000 0.500 589 V N -0.858 119.013 119.914 -0.071 0.000 3.119 589 V HA 0.979 5.100 4.120 0.001 0.000 0.309 589 V C -0.308 175.896 176.094 0.184 0.000 1.304 589 V CA 0.044 62.393 62.300 0.082 0.000 1.057 589 V CB 1.942 33.824 31.823 0.099 0.000 1.150 589 V HN 1.759 nan 8.190 nan 0.000 0.474 590 H N -0.352 118.762 119.070 0.073 0.000 3.140 590 H HA 0.509 5.066 4.556 0.001 0.000 0.336 590 H C -0.306 175.068 175.328 0.077 0.000 1.142 590 H CA -0.635 55.457 56.048 0.073 0.000 1.308 590 H CB 1.288 31.098 29.762 0.080 0.000 1.970 590 H HN 0.565 nan 8.280 nan 0.000 0.521 591 R N 1.561 121.715 120.500 -0.576 0.000 2.743 591 R HA 0.100 4.441 4.340 0.001 0.000 0.167 591 R C 0.238 176.199 176.300 -0.566 0.000 0.873 591 R CA -0.536 55.322 56.100 -0.404 0.000 1.366 591 R CB -0.309 29.841 30.300 -0.249 0.000 0.940 591 R HN 0.697 nan 8.270 nan 0.000 0.545 592 N N 3.434 121.960 118.700 -0.291 0.000 2.106 592 N HA -0.091 4.649 4.740 0.001 0.000 0.284 592 N C -1.688 173.812 175.510 -0.016 0.000 1.388 592 N CA -0.183 52.798 53.050 -0.115 0.000 0.944 592 N CB 0.517 38.988 38.487 -0.027 0.000 1.333 592 N HN 0.300 nan 8.380 nan 0.000 0.489 593 P HA 0.059 nan 4.420 nan 0.000 0.252 593 P C 1.015 178.441 177.300 0.209 0.000 1.211 593 P CA 0.230 63.548 63.100 0.362 0.000 0.824 593 P CB 0.126 32.022 31.700 0.326 0.000 1.077 594 A N 1.441 124.342 122.820 0.135 0.000 2.009 594 A HA -0.241 4.080 4.320 0.001 0.000 0.222 594 A C 2.367 180.012 177.584 0.103 0.000 1.175 594 A CA 1.736 53.831 52.037 0.097 0.000 0.651 594 A CB -1.093 17.951 19.000 0.073 0.000 0.815 594 A HN 0.166 nan 8.150 nan 0.000 0.459 595 R N -1.790 118.795 120.500 0.142 0.000 2.075 595 R HA 0.088 4.428 4.340 0.001 0.000 0.220 595 R C 2.148 178.536 176.300 0.147 0.000 1.118 595 R CA 0.823 57.010 56.100 0.145 0.000 0.986 595 R CB -0.580 29.824 30.300 0.173 0.000 0.884 595 R HN 0.482 nan 8.270 nan 0.000 0.439 596 L N 1.279 122.614 121.223 0.187 0.000 2.034 596 L HA -0.259 4.081 4.340 0.001 0.000 0.217 596 L C 2.188 179.067 176.870 0.016 0.000 1.077 596 L CA 1.928 56.821 54.840 0.089 0.000 0.769 596 L CB -0.520 41.523 42.059 -0.026 0.000 0.890 596 L HN 0.123 nan 8.230 nan 0.000 0.435 597 M N 0.206 119.829 119.600 0.037 0.000 2.200 597 M HA -0.237 4.243 4.480 0.001 0.000 0.261 597 M C 2.310 178.598 176.300 -0.019 0.000 1.074 597 M CA 2.284 57.585 55.300 0.001 0.000 1.098 597 M CB -0.871 31.746 32.600 0.027 0.000 1.268 597 M HN 0.462 nan 8.290 nan 0.000 0.432 598 E N -1.632 118.574 120.200 0.009 0.000 2.448 598 E HA -0.181 4.169 4.350 0.001 0.000 0.203 598 E C 1.048 177.636 176.600 -0.020 0.000 1.046 598 E CA 1.404 57.804 56.400 -0.001 0.000 0.871 598 E CB -0.009 29.703 29.700 0.021 0.000 0.790 598 E HN 0.581 nan 8.360 nan 0.000 0.545 599 T N -0.126 114.406 114.554 -0.036 0.000 3.009 599 T HA 0.077 4.428 4.350 0.001 0.000 0.258 599 T C 1.609 176.195 174.700 -0.190 0.000 1.063 599 T CA 0.223 62.261 62.100 -0.102 0.000 1.139 599 T CB 0.166 68.957 68.868 -0.128 0.000 0.890 599 T HN 0.148 nan 8.240 nan 0.000 0.471 600 L N 0.333 121.439 121.223 -0.195 0.000 2.127 600 L HA 0.121 4.461 4.340 0.001 0.000 0.203 600 L C 2.801 179.557 176.870 -0.190 0.000 1.080 600 L CA 0.924 55.599 54.840 -0.276 0.000 0.768 600 L CB -0.398 41.494 42.059 -0.279 0.000 0.924 600 L HN 0.082 nan 8.230 nan 0.000 0.444 601 R N -0.277 120.151 120.500 -0.119 0.000 2.105 601 R HA -0.130 4.211 4.340 0.001 0.000 0.239 601 R C 1.922 178.171 176.300 -0.084 0.000 1.135 601 R CA 1.837 57.888 56.100 -0.083 0.000 0.967 601 R CB -0.486 29.788 30.300 -0.043 0.000 0.861 601 R HN 0.339 nan 8.270 nan 0.000 0.442 602 T N 0.929 115.434 114.554 -0.083 0.000 3.100 602 T HA 0.078 4.429 4.350 0.001 0.000 0.253 602 T C 1.535 176.188 174.700 -0.079 0.000 1.118 602 T CA 0.164 62.224 62.100 -0.068 0.000 1.058 602 T CB 0.201 69.043 68.868 -0.043 0.000 0.953 602 T HN 0.053 nan 8.240 nan 0.000 0.515 603 L N 1.200 122.353 121.223 -0.118 0.000 2.127 603 L HA 0.160 4.500 4.340 0.001 0.000 0.203 603 L C 2.615 179.416 176.870 -0.116 0.000 1.080 603 L CA 1.391 56.157 54.840 -0.123 0.000 0.768 603 L CB -0.593 41.326 42.059 -0.235 0.000 0.924 603 L HN 0.213 nan 8.230 nan 0.000 0.444 604 R N 0.520 120.940 120.500 -0.133 0.000 2.061 604 R HA -0.140 4.200 4.340 0.001 0.000 0.230 604 R C 2.028 178.261 176.300 -0.111 0.000 1.140 604 R CA 1.019 57.046 56.100 -0.122 0.000 0.940 604 R CB -0.226 30.000 30.300 -0.124 0.000 0.839 604 R HN 0.228 nan 8.270 nan 0.000 0.429 605 R N 0.441 120.877 120.500 -0.106 0.000 2.438 605 R HA -0.155 4.185 4.340 0.001 0.000 0.227 605 R C 1.974 178.217 176.300 -0.096 0.000 1.153 605 R CA 1.146 57.180 56.100 -0.110 0.000 1.059 605 R CB -0.089 30.155 30.300 -0.093 0.000 0.831 605 R HN 0.325 nan 8.270 nan 0.000 0.487 606 K N -0.956 119.397 120.400 -0.078 0.000 2.286 606 K HA 0.024 4.345 4.320 0.001 0.000 0.203 606 K C 0.980 177.548 176.600 -0.053 0.000 1.078 606 K CA 1.090 57.345 56.287 -0.054 0.000 0.957 606 K CB 0.818 33.298 32.500 -0.033 0.000 1.018 606 K HN 0.219 nan 8.250 nan 0.000 0.484 607 G N 0.987 109.752 108.800 -0.058 0.000 2.321 607 G HA2 -0.127 3.834 3.960 0.001 0.000 0.174 607 G HA3 -0.127 3.834 3.960 0.001 0.000 0.174 607 G C 0.187 175.069 174.900 -0.030 0.000 1.008 607 G CA 0.210 45.281 45.100 -0.048 0.000 0.739 607 G HN 0.270 nan 8.290 nan 0.000 0.502 608 D N 0.389 120.770 120.400 -0.031 0.000 2.137 608 D HA 0.090 4.731 4.640 0.001 0.000 0.202 608 D C 1.337 177.613 176.300 -0.040 0.000 0.970 608 D CA 0.703 54.694 54.000 -0.014 0.000 0.837 608 D CB 0.464 41.271 40.800 0.011 0.000 0.981 608 D HN 0.453 nan 8.370 nan 0.000 0.475 609 I N 2.255 122.773 120.570 -0.088 0.000 2.304 609 I HA 0.037 4.208 4.170 0.001 0.000 0.291 609 I C 0.519 176.587 176.117 -0.082 0.000 1.018 609 I CA -0.684 60.547 61.300 -0.116 0.000 1.260 609 I CB 0.816 38.700 38.000 -0.193 0.000 1.390 609 I HN -0.160 nan 8.210 nan 0.000 0.475 610 N N 9.177 127.848 118.700 -0.049 0.000 2.223 610 N HA -0.071 4.670 4.740 0.001 0.000 0.271 610 N C -1.646 173.831 175.510 -0.054 0.000 1.315 610 N CA -0.647 52.385 53.050 -0.029 0.000 0.835 610 N CB 1.025 39.515 38.487 0.006 0.000 1.066 610 N HN 0.319 nan 8.380 nan 0.000 0.486 611 P HA -0.188 nan 4.420 nan 0.000 0.220 611 P C 0.903 178.145 177.300 -0.097 0.000 1.142 611 P CA 1.136 64.145 63.100 -0.151 0.000 0.801 611 P CB 0.294 31.837 31.700 -0.261 0.000 0.764 612 E N -0.343 119.835 120.200 -0.037 0.000 2.005 612 E HA -0.077 4.274 4.350 0.001 0.000 0.191 612 E C 0.253 176.779 176.600 -0.122 0.000 0.987 612 E CA 0.379 56.712 56.400 -0.112 0.000 0.814 612 E CB -0.283 29.403 29.700 -0.024 0.000 0.772 612 E HN -0.192 nan 8.360 nan 0.000 0.453 613 V N 1.821 121.709 119.914 -0.044 0.000 3.005 613 V HA -0.170 3.950 4.120 0.001 0.000 0.287 613 V C 0.312 176.398 176.094 -0.013 0.000 1.344 613 V CA 1.059 63.354 62.300 -0.008 0.000 1.410 613 V CB 0.512 32.325 31.823 -0.018 0.000 0.913 613 V HN 0.458 nan 8.190 nan 0.000 0.525 614 S N 4.785 120.508 115.700 0.038 0.000 2.513 614 S HA 0.897 5.367 4.470 0.001 0.000 0.299 614 S C -0.970 173.616 174.600 -0.023 0.000 1.087 614 S CA -1.026 57.195 58.200 0.034 0.000 1.012 614 S CB 1.892 65.162 63.200 0.116 0.000 1.044 614 S HN 0.554 nan 8.310 nan 0.000 0.485 615 M N 2.611 122.182 119.600 -0.048 0.000 2.267 615 M HA 0.511 4.991 4.480 0.001 0.000 0.289 615 M C -1.814 174.449 176.300 -0.061 0.000 1.043 615 M CA -0.372 54.874 55.300 -0.091 0.000 0.928 615 M CB 1.861 34.406 32.600 -0.092 0.000 1.613 615 M HN 0.543 nan 8.290 nan 0.000 0.450 616 I N 2.538 123.056 120.570 -0.086 0.000 2.418 616 I HA 0.459 4.629 4.170 0.001 0.000 0.287 616 I C -0.317 175.787 176.117 -0.021 0.000 1.008 616 I CA -0.410 60.866 61.300 -0.039 0.000 1.104 616 I CB 1.904 39.883 38.000 -0.035 0.000 1.264 616 I HN 0.623 nan 8.210 nan 0.000 0.438 617 R N 4.582 125.087 120.500 0.008 0.000 2.198 617 R HA 0.220 4.561 4.340 0.001 0.000 0.339 617 R C -0.509 175.811 176.300 0.035 0.000 1.020 617 R CA -0.310 55.806 56.100 0.026 0.000 0.864 617 R CB 0.547 30.869 30.300 0.036 0.000 1.105 617 R HN 0.585 nan 8.270 nan 0.000 0.463 618 D N 6.829 127.253 120.400 0.040 0.000 2.767 618 D HA 0.050 4.690 4.640 0.001 0.000 0.241 618 D C 1.548 177.880 176.300 0.052 0.000 1.187 618 D CA -0.142 53.884 54.000 0.043 0.000 0.999 618 D CB 0.175 41.001 40.800 0.043 0.000 1.042 618 D HN 0.649 nan 8.370 nan 0.000 0.510 619 I N 1.185 121.785 120.570 0.050 0.000 2.345 619 I HA -0.477 3.694 4.170 0.001 0.000 0.228 619 I C 2.442 178.592 176.117 0.054 0.000 0.960 619 I CA 1.563 62.895 61.300 0.052 0.000 1.262 619 I CB -0.250 37.777 38.000 0.045 0.000 0.969 619 I HN 0.292 nan 8.210 nan 0.000 0.385 620 R N -0.073 120.455 120.500 0.046 0.000 2.174 620 R HA -0.269 4.072 4.340 0.001 0.000 0.253 620 R C 2.006 178.337 176.300 0.053 0.000 1.165 620 R CA 1.949 58.076 56.100 0.044 0.000 0.984 620 R CB -0.385 29.936 30.300 0.035 0.000 0.873 620 R HN 0.427 nan 8.270 nan 0.000 0.456 621 E N 0.571 120.806 120.200 0.058 0.000 2.452 621 E HA 0.027 4.377 4.350 0.001 0.000 0.197 621 E C -0.595 176.063 176.600 0.096 0.000 1.022 621 E CA 0.126 56.568 56.400 0.070 0.000 0.890 621 E CB 0.327 30.065 29.700 0.063 0.000 0.918 621 E HN 0.065 nan 8.360 nan 0.000 0.496 622 K N 1.182 121.637 120.400 0.091 0.000 3.898 622 K HA -0.182 4.138 4.320 0.001 0.000 0.282 622 K C -1.114 175.553 176.600 0.113 0.000 1.014 622 K CA 0.872 57.222 56.287 0.104 0.000 0.848 622 K CB -1.413 31.161 32.500 0.122 0.000 1.469 622 K HN 0.262 nan 8.250 nan 0.000 0.446 623 E N 0.415 120.674 120.200 0.099 0.000 2.372 623 E HA 0.406 4.757 4.350 0.001 0.000 0.279 623 E C -1.431 175.221 176.600 0.086 0.000 0.946 623 E CA -1.127 55.335 56.400 0.104 0.000 0.769 623 E CB 1.903 31.697 29.700 0.157 0.000 1.230 623 E HN 0.097 nan 8.360 nan 0.000 0.442 624 L N 2.555 123.826 121.223 0.081 0.000 2.324 624 L HA 0.341 4.682 4.340 0.001 0.000 0.274 624 L C -1.158 175.734 176.870 0.036 0.000 1.012 624 L CA -0.443 54.425 54.840 0.046 0.000 0.859 624 L CB 0.540 42.624 42.059 0.043 0.000 1.224 624 L HN 0.269 nan 8.230 nan 0.000 0.429 625 K N 6.450 126.818 120.400 -0.053 0.000 2.227 625 K HA 0.524 4.844 4.320 0.001 0.000 0.280 625 K C -0.939 175.432 176.600 -0.382 0.000 1.041 625 K CA -0.243 55.893 56.287 -0.250 0.000 0.905 625 K CB 1.685 33.967 32.500 -0.365 0.000 1.068 625 K HN 0.574 nan 8.250 nan 0.000 0.470 626 I N 4.388 124.699 120.570 -0.431 0.000 2.468 626 I HA 0.329 4.499 4.170 0.001 0.000 0.285 626 I C -0.733 175.219 176.117 -0.275 0.000 1.039 626 I CA -0.640 60.479 61.300 -0.302 0.000 1.074 626 I CB 1.071 39.002 38.000 -0.115 0.000 1.228 626 I HN 0.390 nan 8.210 nan 0.000 0.436 627 F N 3.671 123.640 119.950 0.033 0.000 2.492 627 F HA 0.417 4.944 4.527 0.001 0.000 0.327 627 F C 1.102 176.915 175.800 0.021 0.000 1.079 627 F CA -0.484 57.535 58.000 0.032 0.000 0.967 627 F CB 2.289 41.301 39.000 0.021 0.000 1.169 627 F HN 0.308 nan 8.300 nan 0.000 0.472 628 T N -0.879 113.830 114.554 0.259 0.000 2.986 628 T HA -0.019 4.332 4.350 0.001 0.000 0.264 628 T C -0.044 174.725 174.700 0.115 0.000 0.964 628 T CA -0.212 61.974 62.100 0.143 0.000 0.895 628 T CB -0.142 68.793 68.868 0.112 0.000 1.163 628 T HN 0.533 nan 8.240 nan 0.000 0.517 629 D N 2.458 122.922 120.400 0.108 0.000 2.749 629 D HA 0.001 4.642 4.640 0.001 0.000 0.222 629 D C -0.000 176.316 176.300 0.028 0.000 1.131 629 D CA 0.479 54.492 54.000 0.020 0.000 0.845 629 D CB 0.545 41.272 40.800 -0.123 0.000 1.196 629 D HN 0.340 nan 8.370 nan 0.000 0.503 630 A N 1.974 124.808 122.820 0.024 0.000 2.260 630 A HA 0.588 4.909 4.320 0.001 0.000 0.308 630 A C 0.966 178.557 177.584 0.012 0.000 1.254 630 A CA 0.309 52.370 52.037 0.040 0.000 0.874 630 A CB 0.929 19.962 19.000 0.055 0.000 1.153 630 A HN 0.860 nan 8.150 nan 0.000 0.527 631 G N 2.242 111.054 108.800 0.020 0.000 2.145 631 G HA2 -0.127 3.833 3.960 0.001 0.000 0.145 631 G HA3 -0.127 3.833 3.960 0.001 0.000 0.145 631 G C -0.005 174.860 174.900 -0.058 0.000 1.017 631 G CA -0.382 44.707 45.100 -0.018 0.000 0.682 631 G HN 0.843 nan 8.290 nan 0.000 0.504 632 R N -0.315 120.181 120.500 -0.006 0.000 2.486 632 R HA 0.629 4.969 4.340 0.001 0.000 0.286 632 R C -0.071 176.242 176.300 0.022 0.000 0.999 632 R CA -0.725 55.361 56.100 -0.023 0.000 0.993 632 R CB 2.133 32.464 30.300 0.051 0.000 1.084 632 R HN 0.050 nan 8.270 nan 0.000 0.487 633 V N 4.187 124.069 119.914 -0.053 0.000 2.407 633 V HA 0.302 4.422 4.120 0.001 0.000 0.278 633 V C -0.738 175.422 176.094 0.109 0.000 1.037 633 V CA -0.443 61.845 62.300 -0.020 0.000 0.900 633 V CB 0.315 32.186 31.823 0.079 0.000 0.983 633 V HN 0.685 nan 8.190 nan 0.000 0.459 634 Y N 4.304 124.628 120.300 0.040 0.000 2.605 634 Y HA 0.916 5.466 4.550 0.001 0.000 0.343 634 Y C -0.327 175.576 175.900 0.006 0.000 1.036 634 Y CA -1.620 56.506 58.100 0.043 0.000 1.065 634 Y CB 1.481 39.960 38.460 0.032 0.000 1.288 634 Y HN 0.642 nan 8.280 nan 0.000 0.481 635 R N 0.703 121.363 120.500 0.266 0.000 2.950 635 R HA 0.763 5.103 4.340 0.001 0.000 0.253 635 R C -3.303 173.156 176.300 0.265 0.000 1.168 635 R CA -1.952 54.249 56.100 0.168 0.000 1.014 635 R CB 2.043 32.422 30.300 0.130 0.000 1.228 635 R HN 0.546 nan 8.270 nan 0.000 0.487 636 P HA 0.539 nan 4.420 nan 0.000 0.295 636 P C -1.112 176.282 177.300 0.158 0.000 1.319 636 P CA -0.736 62.558 63.100 0.323 0.000 0.940 636 P CB 2.311 34.227 31.700 0.360 0.000 1.192 637 L N 1.411 122.725 121.223 0.152 0.000 2.469 637 L HA 0.498 4.838 4.340 0.001 0.000 0.256 637 L C -0.089 176.908 176.870 0.211 0.000 1.006 637 L CA -1.034 53.864 54.840 0.097 0.000 0.832 637 L CB 2.367 44.498 42.059 0.120 0.000 1.421 637 L HN 0.309 nan 8.230 nan 0.000 0.410 638 F N 1.892 121.896 119.950 0.090 0.000 2.389 638 F HA 0.414 4.941 4.527 0.001 0.000 0.337 638 F C 0.389 176.219 175.800 0.050 0.000 1.112 638 F CA -0.698 57.315 58.000 0.022 0.000 1.192 638 F CB 1.228 40.224 39.000 -0.007 0.000 1.185 638 F HN 0.143 nan 8.300 nan 0.000 0.552 639 I N 2.971 123.623 120.570 0.137 0.000 2.498 639 I HA 0.149 4.319 4.170 0.001 0.000 0.301 639 I C 0.331 176.399 176.117 -0.082 0.000 0.984 639 I CA -0.447 60.814 61.300 -0.066 0.000 1.204 639 I CB 1.876 39.802 38.000 -0.123 0.000 1.362 639 I HN 0.404 nan 8.210 nan 0.000 0.471 640 V N 1.987 121.832 119.914 -0.114 0.000 3.661 640 V HA 0.054 4.174 4.120 0.001 0.000 0.271 640 V C 0.341 176.389 176.094 -0.078 0.000 1.315 640 V CA -0.080 62.180 62.300 -0.065 0.000 1.072 640 V CB -0.676 31.157 31.823 0.017 0.000 0.830 640 V HN 0.702 nan 8.190 nan 0.000 0.443 641 E N 2.968 123.109 120.200 -0.098 0.000 2.032 641 E HA -0.230 4.120 4.350 0.001 0.000 0.352 641 E C 1.125 177.687 176.600 -0.064 0.000 0.649 641 E CA 0.993 57.348 56.400 -0.075 0.000 1.307 641 E CB -0.027 29.626 29.700 -0.078 0.000 0.491 641 E HN 0.758 nan 8.360 nan 0.000 0.414 642 D N 2.348 122.722 120.400 -0.043 0.000 2.389 642 D HA -0.212 4.429 4.640 0.001 0.000 0.221 642 D C -0.267 176.006 176.300 -0.044 0.000 0.974 642 D CA 0.291 54.264 54.000 -0.045 0.000 0.923 642 D CB -0.051 40.745 40.800 -0.007 0.000 0.892 642 D HN 0.226 nan 8.370 nan 0.000 0.518 643 D N 1.807 122.184 120.400 -0.038 0.000 2.746 643 D HA -0.043 4.598 4.640 0.001 0.000 0.233 643 D C -0.120 176.160 176.300 -0.033 0.000 1.120 643 D CA 0.743 54.726 54.000 -0.028 0.000 1.421 643 D CB -0.268 40.516 40.800 -0.027 0.000 1.142 643 D HN 0.298 nan 8.370 nan 0.000 0.479 644 E N 0.106 120.288 120.200 -0.031 0.000 2.580 644 E HA 0.047 4.398 4.350 0.001 0.000 0.248 644 E C 0.655 177.252 176.600 -0.004 0.000 1.018 644 E CA -0.212 56.171 56.400 -0.029 0.000 0.775 644 E CB 1.105 30.769 29.700 -0.060 0.000 1.378 644 E HN 0.119 nan 8.360 nan 0.000 0.401 645 S N 2.311 118.012 115.700 0.001 0.000 2.528 645 S HA -0.063 4.408 4.470 0.001 0.000 0.244 645 S C 1.155 175.766 174.600 0.018 0.000 0.982 645 S CA 0.450 58.656 58.200 0.010 0.000 0.953 645 S CB -0.097 63.107 63.200 0.008 0.000 0.754 645 S HN 0.464 nan 8.310 nan 0.000 0.529 646 L N 1.847 123.081 121.223 0.019 0.000 3.048 646 L HA 0.568 4.909 4.340 0.001 0.000 0.234 646 L C 1.034 177.939 176.870 0.058 0.000 1.318 646 L CA -0.083 54.774 54.840 0.030 0.000 1.109 646 L CB -0.115 41.956 42.059 0.020 0.000 1.480 646 L HN 0.574 nan 8.230 nan 0.000 0.495 647 G N -0.745 108.101 108.800 0.076 0.000 2.225 647 G HA2 -0.127 3.833 3.960 0.001 0.000 0.203 647 G HA3 -0.127 3.833 3.960 0.001 0.000 0.203 647 G C -0.442 174.567 174.900 0.182 0.000 1.335 647 G CA -0.164 45.026 45.100 0.151 0.000 1.183 647 G HN 0.302 nan 8.290 nan 0.000 0.488 648 H N 0.964 120.048 119.070 0.024 0.000 3.397 648 H HA 0.746 5.302 4.556 0.001 0.000 0.155 648 H C 0.355 175.703 175.328 0.033 0.000 1.557 648 H CA 0.294 56.362 56.048 0.034 0.000 1.675 648 H CB -0.362 29.429 29.762 0.049 0.000 1.056 648 H HN 0.557 nan 8.280 nan 0.000 0.889 649 K N -0.034 120.256 120.400 -0.184 0.000 2.218 649 K HA 0.285 4.605 4.320 0.001 0.000 0.276 649 K C -0.723 175.605 176.600 -0.454 0.000 1.022 649 K CA -0.058 56.113 56.287 -0.193 0.000 0.946 649 K CB 0.635 33.155 32.500 0.033 0.000 1.000 649 K HN 0.658 nan 8.250 nan 0.000 0.468 650 E N 2.625 122.667 120.200 -0.264 0.000 2.380 650 E HA 0.198 4.549 4.350 0.001 0.000 0.281 650 E C -1.596 174.915 176.600 -0.148 0.000 0.999 650 E CA -0.546 55.709 56.400 -0.242 0.000 0.800 650 E CB 0.655 30.183 29.700 -0.286 0.000 1.228 650 E HN 0.438 nan 8.360 nan 0.000 0.436 651 L N 4.724 125.865 121.223 -0.136 0.000 2.601 651 L HA 0.049 4.389 4.340 0.001 0.000 0.277 651 L C 1.547 178.318 176.870 -0.165 0.000 1.219 651 L CA 0.291 55.037 54.840 -0.157 0.000 0.915 651 L CB 0.291 42.224 42.059 -0.210 0.000 1.160 651 L HN 0.661 nan 8.230 nan 0.000 0.494 652 K N 2.204 122.504 120.400 -0.168 0.000 2.103 652 K HA -0.066 4.254 4.320 0.001 0.000 0.207 652 K C 0.454 176.971 176.600 -0.139 0.000 1.048 652 K CA 0.775 56.981 56.287 -0.136 0.000 0.930 652 K CB 0.032 32.448 32.500 -0.139 0.000 0.716 652 K HN 0.385 nan 8.250 nan 0.000 0.444 653 V N 2.675 122.414 119.914 -0.292 0.000 2.715 653 V HA 0.018 4.138 4.120 0.001 0.000 0.299 653 V C 0.457 176.522 176.094 -0.049 0.000 1.054 653 V CA 0.131 62.260 62.300 -0.285 0.000 1.077 653 V CB 0.918 32.387 31.823 -0.590 0.000 0.972 653 V HN 0.236 nan 8.190 nan 0.000 0.484 654 R N 2.625 123.277 120.500 0.254 0.000 2.837 654 R HA 0.356 4.696 4.340 0.001 0.000 0.271 654 R C 0.619 176.945 176.300 0.043 0.000 0.993 654 R CA -1.068 55.070 56.100 0.063 0.000 0.931 654 R CB 0.974 31.279 30.300 0.007 0.000 1.206 654 R HN 0.580 nan 8.270 nan 0.000 0.474 655 K N 0.547 120.943 120.400 -0.007 0.000 2.589 655 K HA -0.122 4.199 4.320 0.001 0.000 0.195 655 K C 1.288 177.881 176.600 -0.012 0.000 1.042 655 K CA 1.632 57.917 56.287 -0.003 0.000 0.940 655 K CB -0.211 32.274 32.500 -0.024 0.000 0.776 655 K HN 0.734 nan 8.250 nan 0.000 0.487 656 G N -1.011 107.760 108.800 -0.048 0.000 2.556 656 G HA2 -0.126 3.835 3.960 0.001 0.000 0.209 656 G HA3 -0.126 3.835 3.960 0.001 0.000 0.209 656 G C 0.996 175.871 174.900 -0.041 0.000 1.159 656 G CA -0.072 44.971 45.100 -0.095 0.000 0.828 656 G HN 0.300 nan 8.290 nan 0.000 0.553 657 H N 0.774 119.874 119.070 0.051 0.000 2.319 657 H HA -0.061 4.495 4.556 0.001 0.000 0.297 657 H C 2.624 178.094 175.328 0.236 0.000 1.097 657 H CA 1.392 57.551 56.048 0.185 0.000 1.285 657 H CB -0.175 29.660 29.762 0.122 0.000 1.368 657 H HN 0.264 nan 8.280 nan 0.000 0.495 658 I N 0.634 121.355 120.570 0.252 0.000 2.052 658 I HA -0.304 3.866 4.170 0.001 0.000 0.235 658 I C 2.771 178.995 176.117 0.179 0.000 1.046 658 I CA 1.306 62.721 61.300 0.192 0.000 1.308 658 I CB -0.443 37.636 38.000 0.133 0.000 1.031 658 I HN 0.179 nan 8.210 nan 0.000 0.395 659 A N -0.102 122.788 122.820 0.116 0.000 2.139 659 A HA -0.268 4.052 4.320 0.001 0.000 0.221 659 A C 2.264 179.911 177.584 0.105 0.000 1.159 659 A CA 1.774 53.864 52.037 0.088 0.000 0.662 659 A CB -0.586 18.435 19.000 0.035 0.000 0.796 659 A HN 0.439 nan 8.150 nan 0.000 0.463 660 K N -0.939 119.546 120.400 0.141 0.000 2.361 660 K HA 0.229 4.549 4.320 0.001 0.000 0.196 660 K C 1.523 178.319 176.600 0.327 0.000 1.039 660 K CA 0.231 56.596 56.287 0.129 0.000 1.001 660 K CB -0.084 32.398 32.500 -0.030 0.000 0.795 660 K HN 0.505 nan 8.250 nan 0.000 0.495 661 L N 0.084 121.529 121.223 0.371 0.000 2.185 661 L HA 0.047 4.388 4.340 0.001 0.000 0.198 661 L C 2.196 179.213 176.870 0.244 0.000 1.079 661 L CA 0.547 55.592 54.840 0.342 0.000 0.780 661 L CB -0.116 42.089 42.059 0.244 0.000 0.955 661 L HN 0.164 nan 8.230 nan 0.000 0.462 662 M N -0.399 119.326 119.600 0.207 0.000 2.426 662 M HA -0.203 4.277 4.480 0.001 0.000 0.261 662 M C 2.208 178.617 176.300 0.183 0.000 1.068 662 M CA 1.416 56.827 55.300 0.184 0.000 1.066 662 M CB -0.504 32.188 32.600 0.153 0.000 1.399 662 M HN 0.332 nan 8.290 nan 0.000 0.449 663 A N 0.057 122.981 122.820 0.174 0.000 1.930 663 A HA -0.107 4.213 4.320 0.001 0.000 0.217 663 A C 2.159 179.862 177.584 0.199 0.000 1.175 663 A CA 1.943 54.077 52.037 0.161 0.000 0.627 663 A CB -0.831 18.243 19.000 0.124 0.000 0.815 663 A HN 0.460 nan 8.150 nan 0.000 0.443 664 T N -0.372 114.305 114.554 0.205 0.000 3.043 664 T HA -0.015 4.335 4.350 0.001 0.000 0.263 664 T C 1.604 176.410 174.700 0.177 0.000 1.094 664 T CA 1.069 63.283 62.100 0.190 0.000 1.127 664 T CB -0.053 68.939 68.868 0.207 0.000 0.905 664 T HN 0.587 nan 8.240 nan 0.000 0.490 665 E N 0.350 120.666 120.200 0.194 0.000 2.072 665 E HA -0.107 4.243 4.350 0.001 0.000 0.191 665 E C 1.792 178.498 176.600 0.176 0.000 0.985 665 E CA 0.795 57.301 56.400 0.176 0.000 0.801 665 E CB -0.199 29.612 29.700 0.185 0.000 0.750 665 E HN 0.498 nan 8.360 nan 0.000 0.452 666 Y N 1.966 122.311 120.300 0.076 0.000 2.256 666 Y HA -0.159 4.391 4.550 0.001 0.000 0.288 666 Y C 1.170 177.100 175.900 0.050 0.000 1.155 666 Y CA 1.302 59.437 58.100 0.058 0.000 1.203 666 Y CB 0.070 38.564 38.460 0.056 0.000 0.980 666 Y HN -0.052 nan 8.280 nan 0.000 0.530 667 Q N 1.678 121.505 119.800 0.045 0.000 2.903 667 Q HA 0.079 4.419 4.340 0.001 0.000 0.295 667 Q C -0.855 175.120 176.000 -0.043 0.000 1.157 667 Q CA 0.147 55.929 55.803 -0.035 0.000 0.930 667 Q CB -0.161 28.609 28.738 0.053 0.000 1.571 667 Q HN 0.392 nan 8.270 nan 0.000 0.440 679 Y N 3.597 123.950 120.300 0.089 0.000 2.712 679 Y HA 0.386 4.937 4.550 0.001 0.000 0.328 679 Y C 0.367 176.340 175.900 0.120 0.000 0.995 679 Y CA -0.606 57.549 58.100 0.092 0.000 1.283 679 Y CB 0.602 39.117 38.460 0.091 0.000 1.092 679 Y HN 0.212 nan 8.280 nan 0.000 0.519 680 T N 1.218 115.814 114.554 0.070 0.000 3.057 680 T HA 0.039 4.389 4.350 0.001 0.000 0.312 680 T C 1.137 175.850 174.700 0.022 0.000 1.227 680 T CA -0.215 61.934 62.100 0.082 0.000 0.929 680 T CB 0.250 69.208 68.868 0.150 0.000 1.986 680 T HN 0.721 nan 8.240 nan 0.000 0.579 681 W N 0.228 121.507 121.300 -0.035 0.000 2.501 681 W HA -0.010 4.650 4.660 0.001 0.000 0.309 681 W C 2.373 178.844 176.519 -0.080 0.000 1.165 681 W CA 1.013 58.326 57.345 -0.055 0.000 1.381 681 W CB -0.707 28.775 29.460 0.036 0.000 1.142 681 W HN 0.626 nan 8.180 nan 0.000 0.509 682 S N 1.055 116.828 115.700 0.121 0.000 2.409 682 S HA -0.315 4.156 4.470 0.001 0.000 0.237 682 S C 1.987 176.503 174.600 -0.140 0.000 1.060 682 S CA 2.613 60.810 58.200 -0.006 0.000 1.052 682 S CB -0.568 62.687 63.200 0.092 0.000 0.871 682 S HN 0.507 nan 8.310 nan 0.000 0.465 683 S N 1.627 117.249 115.700 -0.130 0.000 2.338 683 S HA -0.019 4.451 4.470 0.001 0.000 0.218 683 S C 1.732 176.172 174.600 -0.268 0.000 1.032 683 S CA 1.117 59.245 58.200 -0.120 0.000 0.999 683 S CB -0.861 62.313 63.200 -0.044 0.000 0.905 683 S HN 0.412 nan 8.310 nan 0.000 0.439 684 L N 0.713 121.650 121.223 -0.477 0.000 2.456 684 L HA -0.067 4.273 4.340 0.001 0.000 0.225 684 L C 2.332 178.863 176.870 -0.565 0.000 1.142 684 L CA 0.761 55.265 54.840 -0.559 0.000 0.796 684 L CB -0.548 41.083 42.059 -0.714 0.000 0.920 684 L HN 0.336 nan 8.230 nan 0.000 0.446 685 L N -0.950 119.948 121.223 -0.543 0.000 2.265 685 L HA 0.091 4.432 4.340 0.001 0.000 0.195 685 L C 1.726 178.425 176.870 -0.285 0.000 1.083 685 L CA 1.392 55.944 54.840 -0.481 0.000 0.798 685 L CB -0.480 41.268 42.059 -0.518 0.000 0.989 685 L HN 0.148 nan 8.230 nan 0.000 0.472 686 N N 0.872 119.454 118.700 -0.197 0.000 2.551 686 N HA -0.058 4.683 4.740 0.001 0.000 0.199 686 N C 0.136 175.596 175.510 -0.083 0.000 1.277 686 N CA 0.407 53.389 53.050 -0.114 0.000 0.870 686 N CB 0.007 38.458 38.487 -0.060 0.000 1.028 686 N HN 0.565 nan 8.380 nan 0.000 0.452 687 E N -0.462 119.669 120.200 -0.116 0.000 2.887 687 E HA 0.145 4.495 4.350 0.001 0.000 0.206 687 E C -0.025 176.501 176.600 -0.123 0.000 0.983 687 E CA -0.454 55.901 56.400 -0.075 0.000 1.141 687 E CB 0.363 30.049 29.700 -0.024 0.000 1.061 687 E HN 0.192 nan 8.360 nan 0.000 0.468 688 G N 1.811 110.526 108.800 -0.142 0.000 2.332 688 G HA2 -0.256 3.705 3.960 0.001 0.000 0.277 688 G HA3 -0.256 3.705 3.960 0.001 0.000 0.277 688 G C 0.518 175.317 174.900 -0.169 0.000 0.884 688 G CA 0.667 45.680 45.100 -0.145 0.000 1.251 688 G HN 0.392 nan 8.290 nan 0.000 0.462 689 L N -1.341 119.744 121.223 -0.231 0.000 2.803 689 L HA 0.294 4.635 4.340 0.001 0.000 0.246 689 L C 0.393 177.153 176.870 -0.184 0.000 1.100 689 L CA 0.135 54.820 54.840 -0.260 0.000 0.919 689 L CB 0.656 42.470 42.059 -0.408 0.000 1.285 689 L HN 0.194 nan 8.230 nan 0.000 0.522 690 V N 0.026 119.811 119.914 -0.215 0.000 2.808 690 V HA 0.352 4.472 4.120 0.001 0.000 0.308 690 V C -0.883 175.107 176.094 -0.175 0.000 1.099 690 V CA -0.692 61.529 62.300 -0.133 0.000 0.920 690 V CB 2.828 34.488 31.823 -0.271 0.000 1.014 690 V HN 0.051 nan 8.190 nan 0.000 0.425 691 E N 1.933 122.126 120.200 -0.012 0.000 2.244 691 E HA 0.492 4.842 4.350 0.001 0.000 0.266 691 E C -1.504 175.173 176.600 0.127 0.000 0.914 691 E CA -0.801 55.587 56.400 -0.019 0.000 0.794 691 E CB 2.194 31.952 29.700 0.096 0.000 1.210 691 E HN 0.709 nan 8.360 nan 0.000 0.414 692 Y N 2.860 123.154 120.300 -0.010 0.000 2.676 692 Y HA 0.274 4.824 4.550 0.001 0.000 0.338 692 Y C 0.031 175.914 175.900 -0.028 0.000 1.057 692 Y CA -0.691 57.402 58.100 -0.012 0.000 1.314 692 Y CB 0.337 38.644 38.460 -0.256 0.000 1.164 692 Y HN 0.225 nan 8.280 nan 0.000 0.509 693 I N 5.026 125.716 120.570 0.201 0.000 2.301 693 I HA 0.024 4.195 4.170 0.001 0.000 0.292 693 I C 0.380 176.613 176.117 0.194 0.000 1.046 693 I CA -0.494 60.874 61.300 0.114 0.000 1.282 693 I CB 0.363 38.357 38.000 -0.011 0.000 1.409 693 I HN 0.625 nan 8.210 nan 0.000 0.484 694 D N 6.181 126.699 120.400 0.196 0.000 2.403 694 D HA 0.147 4.788 4.640 0.001 0.000 0.278 694 D C 1.017 177.444 176.300 0.212 0.000 1.230 694 D CA -0.392 53.755 54.000 0.245 0.000 1.062 694 D CB 0.758 41.699 40.800 0.234 0.000 1.119 694 D HN 0.428 nan 8.370 nan 0.000 0.557 695 A N -0.742 122.215 122.820 0.228 0.000 1.898 695 A HA -0.111 4.209 4.320 0.001 0.000 0.214 695 A C 2.075 179.826 177.584 0.279 0.000 1.183 695 A CA 1.656 53.853 52.037 0.266 0.000 0.622 695 A CB -0.804 18.387 19.000 0.318 0.000 0.824 695 A HN 0.595 nan 8.150 nan 0.000 0.444 696 E N 0.409 120.749 120.200 0.234 0.000 2.038 696 E HA -0.226 4.124 4.350 0.001 0.000 0.195 696 E C 1.918 178.609 176.600 0.151 0.000 1.000 696 E CA 1.928 58.440 56.400 0.187 0.000 0.803 696 E CB -0.297 29.536 29.700 0.222 0.000 0.750 696 E HN 0.676 nan 8.360 nan 0.000 0.448 697 E N -0.144 120.137 120.200 0.135 0.000 2.150 697 E HA -0.224 4.127 4.350 0.001 0.000 0.193 697 E C 1.955 178.603 176.600 0.079 0.000 0.985 697 E CA 0.985 57.437 56.400 0.087 0.000 0.814 697 E CB -0.094 29.647 29.700 0.068 0.000 0.752 697 E HN 0.362 nan 8.360 nan 0.000 0.466 698 E N 0.404 120.665 120.200 0.101 0.000 2.130 698 E HA -0.252 4.098 4.350 0.001 0.000 0.196 698 E C 1.847 178.501 176.600 0.090 0.000 0.998 698 E CA 1.049 57.498 56.400 0.083 0.000 0.806 698 E CB 0.111 29.887 29.700 0.127 0.000 0.738 698 E HN 0.184 nan 8.360 nan 0.000 0.459 699 E N 0.229 120.507 120.200 0.131 0.000 2.147 699 E HA -0.168 4.183 4.350 0.001 0.000 0.199 699 E C 1.356 178.005 176.600 0.081 0.000 1.005 699 E CA 1.469 57.946 56.400 0.128 0.000 0.810 699 E CB -0.164 29.627 29.700 0.151 0.000 0.736 699 E HN 0.249 nan 8.360 nan 0.000 0.460 700 S N 0.185 115.927 115.700 0.070 0.000 2.489 700 S HA 0.433 4.904 4.470 0.001 0.000 0.237 700 S C 0.527 175.169 174.600 0.069 0.000 1.220 700 S CA -0.675 57.560 58.200 0.059 0.000 1.231 700 S CB -0.901 62.331 63.200 0.053 0.000 0.900 700 S HN 0.282 nan 8.310 nan 0.000 0.492 701 I N -2.474 118.138 120.570 0.069 0.000 3.181 701 I HA 0.785 4.955 4.170 0.001 0.000 0.311 701 I C -2.155 174.012 176.117 0.084 0.000 1.287 701 I CA -1.652 59.712 61.300 0.106 0.000 0.958 701 I CB 1.737 39.809 38.000 0.120 0.000 1.294 701 I HN 0.163 nan 8.210 nan 0.000 0.467 702 L N 3.478 124.776 121.223 0.124 0.000 2.354 702 L HA 0.748 5.088 4.340 0.001 0.000 0.269 702 L C -1.401 175.593 176.870 0.206 0.000 1.005 702 L CA -0.552 54.341 54.840 0.088 0.000 0.819 702 L CB 1.802 43.850 42.059 -0.018 0.000 1.311 702 L HN 0.599 nan 8.230 nan 0.000 0.423 703 I N 3.646 124.336 120.570 0.200 0.000 2.533 703 I HA 0.675 4.845 4.170 0.001 0.000 0.290 703 I C -0.394 175.886 176.117 0.270 0.000 1.056 703 I CA -0.872 60.567 61.300 0.232 0.000 1.057 703 I CB 2.026 40.083 38.000 0.094 0.000 1.240 703 I HN 0.775 nan 8.210 nan 0.000 0.423 704 A N 4.865 127.795 122.820 0.183 0.000 2.306 704 A HA 0.561 4.882 4.320 0.001 0.000 0.314 704 A C 0.478 178.012 177.584 -0.082 0.000 1.164 704 A CA -0.452 51.523 52.037 -0.103 0.000 0.822 704 A CB 1.244 19.866 19.000 -0.631 0.000 1.130 704 A HN 0.807 nan 8.150 nan 0.000 0.496 705 M N 0.846 120.383 119.600 -0.105 0.000 2.085 705 M HA -0.003 4.478 4.480 0.001 0.000 0.258 705 M C 0.940 177.166 176.300 -0.124 0.000 1.089 705 M CA 1.896 57.131 55.300 -0.107 0.000 1.123 705 M CB -0.423 32.100 32.600 -0.129 0.000 1.284 705 M HN 0.760 nan 8.290 nan 0.000 0.421 706 Q N 0.563 120.282 119.800 -0.135 0.000 2.230 706 Q HA 0.208 4.548 4.340 0.001 0.000 0.253 706 Q C -1.789 174.149 176.000 -0.104 0.000 0.919 706 Q CA -1.776 53.964 55.803 -0.105 0.000 0.908 706 Q CB 1.044 29.727 28.738 -0.092 0.000 1.245 706 Q HN 0.217 nan 8.270 nan 0.000 0.437 707 P HA -0.254 nan 4.420 nan 0.000 0.216 707 P C 0.087 177.343 177.300 -0.073 0.000 1.153 707 P CA 1.490 64.577 63.100 -0.021 0.000 0.848 707 P CB 0.391 32.134 31.700 0.072 0.000 0.787 708 E N 0.255 120.420 120.200 -0.059 0.000 3.381 708 E HA -0.093 4.258 4.350 0.001 0.000 0.509 708 E C 1.438 177.953 176.600 -0.141 0.000 0.319 708 E CA -0.234 56.121 56.400 -0.074 0.000 3.013 708 E CB -1.221 28.455 29.700 -0.040 0.000 2.197 708 E HN -0.106 nan 8.360 nan 0.000 0.410 709 D N 0.603 120.915 120.400 -0.148 0.000 7.136 709 D HA -0.251 4.390 4.640 0.001 0.000 0.223 709 D C 1.401 177.457 176.300 -0.407 0.000 1.984 709 D CA 1.837 55.696 54.000 -0.235 0.000 0.688 709 D CB -0.439 40.270 40.800 -0.153 0.000 0.682 709 D HN 0.308 nan 8.370 nan 0.000 0.940 710 L N 0.640 121.680 121.223 -0.304 0.000 2.939 710 L HA 0.091 4.431 4.340 0.001 0.000 0.239 710 L C 1.272 177.956 176.870 -0.309 0.000 1.325 710 L CA 0.126 54.781 54.840 -0.307 0.000 1.170 710 L CB 0.091 41.941 42.059 -0.350 0.000 1.538 710 L HN -0.029 nan 8.230 nan 0.000 0.452 711 E N -0.905 119.168 120.200 -0.212 0.000 3.151 711 E HA 0.162 4.512 4.350 0.001 0.000 0.246 711 E C -1.807 174.855 176.600 0.104 0.000 1.150 711 E CA -0.027 56.381 56.400 0.013 0.000 1.806 711 E CB -0.414 29.293 29.700 0.011 0.000 2.295 711 E HN 0.238 nan 8.360 nan 0.000 1.000 712 P HA 0.149 nan 4.420 nan 0.000 0.280 712 P C -0.050 177.244 177.300 -0.010 0.000 1.278 712 P CA 0.197 63.253 63.100 -0.073 0.000 0.787 712 P CB 0.624 32.282 31.700 -0.070 0.000 1.163 713 A N -0.504 122.299 122.820 -0.029 0.000 2.529 713 A HA 0.341 4.662 4.320 0.001 0.000 0.269 713 A C 0.046 177.706 177.584 0.127 0.000 1.509 713 A CA -0.238 51.827 52.037 0.047 0.000 0.857 713 A CB -0.066 18.918 19.000 -0.027 0.000 1.531 713 A HN 0.635 nan 8.150 nan 0.000 0.541 714 E N -1.049 119.197 120.200 0.077 0.000 2.409 714 E HA 0.519 4.869 4.350 0.001 0.000 0.259 714 E C -0.607 176.014 176.600 0.035 0.000 0.932 714 E CA -0.498 55.944 56.400 0.071 0.000 0.809 714 E CB 1.123 30.856 29.700 0.056 0.000 1.341 714 E HN 0.849 nan 8.360 nan 0.000 0.405 723 V N 3.232 123.159 119.914 0.021 0.000 2.481 723 V HA 0.254 4.375 4.120 0.001 0.000 0.286 723 V C 0.187 176.295 176.094 0.023 0.000 1.042 723 V CA -0.672 61.642 62.300 0.023 0.000 0.928 723 V CB 1.858 33.696 31.823 0.025 0.000 0.986 723 V HN 0.122 nan 8.190 nan 0.000 0.462 724 D N 6.674 127.089 120.400 0.025 0.000 2.520 724 D HA 0.022 4.662 4.640 0.001 0.000 0.243 724 D C -1.240 175.075 176.300 0.025 0.000 1.160 724 D CA -0.589 53.427 54.000 0.026 0.000 0.877 724 D CB 1.649 42.467 40.800 0.031 0.000 1.150 724 D HN 0.409 nan 8.370 nan 0.000 0.494 725 P HA 0.040 nan 4.420 nan 0.000 0.245 725 P C 0.397 177.710 177.300 0.022 0.000 1.212 725 P CA 0.174 63.287 63.100 0.021 0.000 0.774 725 P CB 0.580 32.291 31.700 0.018 0.000 0.999 726 A N 0.213 123.048 122.820 0.025 0.000 1.944 726 A HA 0.108 4.428 4.320 0.001 0.000 0.207 726 A C 1.403 179.007 177.584 0.032 0.000 1.265 726 A CA 0.335 52.388 52.037 0.027 0.000 0.712 726 A CB -0.357 18.660 19.000 0.027 0.000 0.915 726 A HN 0.054 nan 8.150 nan 0.000 0.470 727 K N 0.540 120.961 120.400 0.036 0.000 2.191 727 K HA 0.039 4.360 4.320 0.001 0.000 0.244 727 K C 1.029 177.653 176.600 0.040 0.000 1.083 727 K CA 0.444 56.756 56.287 0.043 0.000 0.800 727 K CB 0.133 32.660 32.500 0.045 0.000 1.088 727 K HN 0.600 nan 8.250 nan 0.000 0.525 728 R N 0.119 120.644 120.500 0.043 0.000 2.225 728 R HA 0.343 4.683 4.340 0.001 0.000 0.139 728 R C 0.204 176.523 176.300 0.031 0.000 0.745 728 R CA -0.247 55.874 56.100 0.035 0.000 1.634 728 R CB -0.014 30.308 30.300 0.035 0.000 1.019 728 R HN 0.449 nan 8.270 nan 0.000 0.629 729 I N 0.931 121.518 120.570 0.028 0.000 2.642 729 I HA 0.276 4.447 4.170 0.001 0.000 0.273 729 I C -0.801 175.330 176.117 0.024 0.000 1.208 729 I CA -0.389 60.927 61.300 0.026 0.000 1.037 729 I CB 1.682 39.696 38.000 0.024 0.000 1.253 729 I HN 0.474 nan 8.210 nan 0.000 0.504 730 R N 2.832 123.345 120.500 0.022 0.000 2.357 730 R HA 0.478 4.819 4.340 0.001 0.000 0.296 730 R C 0.680 176.993 176.300 0.022 0.000 1.052 730 R CA -0.409 55.701 56.100 0.016 0.000 0.988 730 R CB 1.844 32.148 30.300 0.006 0.000 1.025 730 R HN 0.281 nan 8.270 nan 0.000 0.469 731 V N 1.311 121.239 119.914 0.023 0.000 2.175 731 V HA -0.127 3.994 4.120 0.001 0.000 0.125 731 V C 0.790 176.899 176.094 0.025 0.000 0.740 731 V CA 0.830 63.150 62.300 0.035 0.000 1.325 731 V CB -0.023 31.827 31.823 0.045 0.000 0.794 731 V HN 0.779 nan 8.190 nan 0.000 0.417 732 S N -1.012 114.689 115.700 0.001 0.000 2.851 732 S HA 0.486 4.957 4.470 0.001 0.000 0.317 732 S C -0.356 174.261 174.600 0.029 0.000 1.144 732 S CA -0.330 57.825 58.200 -0.075 0.000 0.862 732 S CB 1.226 64.069 63.200 -0.594 0.000 1.259 732 S HN 0.846 nan 8.310 nan 0.000 0.564 733 H N 0.189 119.137 119.070 -0.204 0.000 2.502 733 H HA 0.328 4.884 4.556 0.001 0.000 0.268 733 H C -0.646 174.726 175.328 0.074 0.000 1.177 733 H CA -0.450 55.618 56.048 0.033 0.000 0.961 733 H CB -1.056 28.730 29.762 0.039 0.000 1.737 733 H HN 0.470 nan 8.280 nan 0.000 0.569 734 H N 1.992 121.068 119.070 0.011 0.000 4.160 734 H HA 0.476 5.032 4.556 0.001 0.000 0.191 734 H C 0.066 175.377 175.328 -0.029 0.000 1.546 734 H CA 0.592 56.611 56.048 -0.048 0.000 1.415 734 H CB -0.730 29.000 29.762 -0.052 0.000 1.703 734 H HN 0.697 nan 8.280 nan 0.000 0.771 735 A N 0.426 123.296 122.820 0.083 0.000 2.572 735 A HA 0.310 4.630 4.320 0.001 0.000 0.303 735 A C 0.151 177.677 177.584 -0.096 0.000 1.059 735 A CA -0.777 51.192 52.037 -0.114 0.000 0.788 735 A CB 0.647 19.420 19.000 -0.379 0.000 1.282 735 A HN 0.231 nan 8.150 nan 0.000 0.397 736 T N 1.819 116.324 114.554 -0.082 0.000 3.313 736 T HA 0.306 4.657 4.350 0.001 0.000 0.263 736 T C 0.666 175.344 174.700 -0.037 0.000 0.983 736 T CA 0.655 62.780 62.100 0.042 0.000 0.963 736 T CB -0.240 68.678 68.868 0.083 0.000 1.141 736 T HN 0.734 nan 8.240 nan 0.000 0.526 737 T N -0.419 113.993 114.554 -0.236 0.000 3.004 737 T HA 0.274 4.624 4.350 0.001 0.000 0.266 737 T C 0.531 175.163 174.700 -0.114 0.000 0.986 737 T CA -0.502 61.502 62.100 -0.161 0.000 0.902 737 T CB -0.225 68.538 68.868 -0.176 0.000 1.118 737 T HN 0.377 nan 8.240 nan 0.000 0.522 738 F N 4.175 124.147 119.950 0.036 0.000 2.306 738 F HA -0.079 4.449 4.527 0.001 0.000 0.412 738 F C 2.135 177.940 175.800 0.007 0.000 0.951 738 F CA 0.223 58.245 58.000 0.037 0.000 1.022 738 F CB -0.322 38.703 39.000 0.041 0.000 0.852 738 F HN 0.192 nan 8.300 nan 0.000 0.511 739 T N -0.236 114.421 114.554 0.172 0.000 2.852 739 T HA 0.004 4.355 4.350 0.001 0.000 0.256 739 T C 0.306 174.884 174.700 -0.204 0.000 1.038 739 T CA 0.852 62.946 62.100 -0.010 0.000 1.141 739 T CB -0.180 68.745 68.868 0.095 0.000 0.869 739 T HN 0.524 nan 8.240 nan 0.000 0.439 740 H N -1.120 118.037 119.070 0.145 0.000 2.855 740 H HA 0.771 5.327 4.556 0.001 0.000 0.363 740 H C -1.042 174.370 175.328 0.140 0.000 1.185 740 H CA -1.245 54.884 56.048 0.134 0.000 1.174 740 H CB 1.453 31.283 29.762 0.115 0.000 1.857 740 H HN 0.374 nan 8.280 nan 0.000 0.565 741 C N 0.778 120.241 119.300 0.272 0.000 2.898 741 C HA 0.490 4.951 4.460 0.001 0.000 0.304 741 C C -0.453 174.590 174.990 0.087 0.000 1.237 741 C CA -0.437 58.674 59.018 0.156 0.000 1.529 741 C CB 1.085 28.913 27.740 0.146 0.000 2.021 741 C HN 0.929 nan 8.230 nan 0.000 0.474 742 E N 2.591 122.794 120.200 0.005 0.000 2.338 742 E HA 0.256 4.606 4.350 0.001 0.000 0.272 742 E C 1.216 177.661 176.600 -0.258 0.000 1.029 742 E CA -0.233 56.121 56.400 -0.077 0.000 0.872 742 E CB 0.566 30.266 29.700 -0.001 0.000 1.015 742 E HN 0.502 nan 8.360 nan 0.000 0.417 743 I N 2.156 122.467 120.570 -0.432 0.000 2.127 743 I HA -0.181 3.989 4.170 0.001 0.000 0.241 743 I C 0.755 176.709 176.117 -0.271 0.000 1.075 743 I CA 1.678 62.616 61.300 -0.603 0.000 1.334 743 I CB -1.003 36.731 38.000 -0.443 0.000 1.040 743 I HN 0.589 nan 8.210 nan 0.000 0.405 744 H N -0.337 118.551 119.070 -0.303 0.000 3.112 744 H HA 0.230 4.786 4.556 0.001 0.000 0.347 744 H C -2.119 173.145 175.328 -0.107 0.000 1.188 744 H CA -0.892 54.999 56.048 -0.261 0.000 1.240 744 H CB 2.167 31.632 29.762 -0.496 0.000 1.920 744 H HN -0.290 nan 8.280 nan 0.000 0.535 745 P HA -0.123 nan 4.420 nan 0.000 0.218 745 P C 1.126 178.488 177.300 0.103 0.000 1.152 745 P CA 1.572 64.574 63.100 -0.164 0.000 0.826 745 P CB 0.151 31.558 31.700 -0.488 0.000 0.790 746 S N -0.729 115.217 115.700 0.410 0.000 2.504 746 S HA -0.140 4.330 4.470 0.001 0.000 0.257 746 S C 1.600 176.367 174.600 0.279 0.000 0.986 746 S CA 1.025 59.563 58.200 0.563 0.000 0.965 746 S CB -1.136 62.522 63.200 0.763 0.000 0.744 746 S HN -0.014 nan 8.310 nan 0.000 0.523 747 M N 1.210 120.903 119.600 0.155 0.000 2.561 747 M HA 0.334 4.815 4.480 0.001 0.000 0.238 747 M C 1.587 177.841 176.300 -0.076 0.000 1.131 747 M CA 0.048 55.384 55.300 0.060 0.000 1.046 747 M CB -1.085 31.546 32.600 0.053 0.000 1.532 747 M HN 0.556 nan 8.290 nan 0.000 0.497 748 I N -1.859 118.596 120.570 -0.192 0.000 2.830 748 I HA -0.030 4.140 4.170 0.001 0.000 0.263 748 I C 0.834 176.817 176.117 -0.224 0.000 1.230 748 I CA 0.234 61.289 61.300 -0.408 0.000 1.480 748 I CB -0.454 37.071 38.000 -0.791 0.000 1.095 748 I HN 0.012 nan 8.210 nan 0.000 0.455 749 L N 1.750 122.912 121.223 -0.103 0.000 2.453 749 L HA 0.508 4.848 4.340 0.001 0.000 0.261 749 L C 0.698 177.530 176.870 -0.063 0.000 1.179 749 L CA -0.254 54.544 54.840 -0.070 0.000 0.813 749 L CB 0.633 42.674 42.059 -0.030 0.000 1.110 749 L HN 0.159 nan 8.230 nan 0.000 0.466 750 G N -0.179 108.579 108.800 -0.070 0.000 2.473 750 G HA2 0.449 4.409 3.960 0.001 0.000 0.321 750 G HA3 0.449 4.409 3.960 0.001 0.000 0.321 750 G C 0.828 175.685 174.900 -0.072 0.000 1.200 750 G CA -0.617 44.441 45.100 -0.069 0.000 0.963 750 G HN 0.440 nan 8.290 nan 0.000 0.483 751 V N 1.575 121.442 119.914 -0.078 0.000 2.258 751 V HA -0.424 3.697 4.120 0.001 0.000 0.259 751 V C 3.304 179.342 176.094 -0.093 0.000 1.076 751 V CA 3.282 65.529 62.300 -0.089 0.000 1.084 751 V CB -1.598 30.171 31.823 -0.090 0.000 0.706 751 V HN 0.984 nan 8.190 nan 0.000 0.461 752 A N 0.239 123.010 122.820 -0.082 0.000 1.859 752 A HA -0.261 4.059 4.320 0.001 0.000 0.218 752 A C 2.479 180.003 177.584 -0.100 0.000 1.242 752 A CA 3.696 55.684 52.037 -0.081 0.000 0.661 752 A CB -1.424 17.537 19.000 -0.065 0.000 0.842 752 A HN 0.951 nan 8.150 nan 0.000 0.455 753 A N -0.995 121.772 122.820 -0.089 0.000 1.917 753 A HA -0.148 4.173 4.320 0.001 0.000 0.219 753 A C 2.318 179.832 177.584 -0.117 0.000 1.182 753 A CA 2.343 54.324 52.037 -0.095 0.000 0.633 753 A CB -1.208 17.746 19.000 -0.076 0.000 0.819 753 A HN 0.604 nan 8.150 nan 0.000 0.448 754 S N -0.544 115.092 115.700 -0.107 0.000 2.484 754 S HA -0.162 4.308 4.470 0.001 0.000 0.250 754 S C 1.366 175.856 174.600 -0.183 0.000 0.995 754 S CA 1.597 59.732 58.200 -0.108 0.000 0.967 754 S CB -0.561 62.592 63.200 -0.078 0.000 0.752 754 S HN 0.603 nan 8.310 nan 0.000 0.517 755 I N 0.099 120.524 120.570 -0.243 0.000 3.645 755 I HA 0.180 4.350 4.170 0.001 0.000 0.300 755 I C 0.274 176.220 176.117 -0.284 0.000 1.260 755 I CA 0.125 61.206 61.300 -0.364 0.000 1.365 755 I CB 0.002 37.703 38.000 -0.499 0.000 1.077 755 I HN 0.107 nan 8.210 nan 0.000 0.439 756 I N 4.964 125.400 120.570 -0.224 0.000 2.587 756 I HA 0.083 4.254 4.170 0.001 0.000 0.284 756 I C -2.036 173.962 176.117 -0.198 0.000 1.134 756 I CA -1.503 59.658 61.300 -0.231 0.000 1.410 756 I CB -0.003 37.890 38.000 -0.180 0.000 1.392 756 I HN -0.130 nan 8.210 nan 0.000 0.545 757 P HA 0.130 nan 4.420 nan 0.000 0.285 757 P C -0.027 177.243 177.300 -0.049 0.000 1.259 757 P CA -0.153 62.782 63.100 -0.275 0.000 0.794 757 P CB 0.548 32.043 31.700 -0.341 0.000 0.940 758 F N 0.642 120.631 119.950 0.065 0.000 3.084 758 F HA -0.194 4.334 4.527 0.001 0.000 0.286 758 F C -0.653 175.244 175.800 0.162 0.000 0.855 758 F CA -0.356 57.740 58.000 0.161 0.000 1.091 758 F CB -1.917 37.170 39.000 0.146 0.000 1.177 758 F HN 0.335 nan 8.300 nan 0.000 0.542 759 P HA -0.236 nan 4.420 nan 0.000 0.219 759 P C 0.693 178.015 177.300 0.036 0.000 1.149 759 P CA 2.257 65.394 63.100 0.062 0.000 0.835 759 P CB -0.221 31.444 31.700 -0.059 0.000 0.778 760 D N -1.275 119.105 120.400 -0.032 0.000 3.008 760 D HA -0.077 4.563 4.640 0.001 0.000 0.242 760 D C 0.559 176.685 176.300 -0.289 0.000 1.222 760 D CA 0.001 53.914 54.000 -0.145 0.000 0.883 760 D CB -0.846 39.817 40.800 -0.229 0.000 1.110 760 D HN 0.391 nan 8.370 nan 0.000 0.455 761 H N -0.641 118.463 119.070 0.057 0.000 3.664 761 H HA 0.132 4.688 4.556 0.001 0.000 0.265 761 H C -0.367 174.991 175.328 0.050 0.000 1.147 761 H CA -0.423 55.653 56.048 0.047 0.000 1.142 761 H CB 0.618 30.413 29.762 0.056 0.000 1.870 761 H HN 0.114 nan 8.280 nan 0.000 0.820 762 N N 1.263 120.049 118.700 0.142 0.000 2.292 762 N HA 0.081 4.822 4.740 0.001 0.000 0.303 762 N C -0.034 175.494 175.510 0.031 0.000 1.140 762 N CA -0.540 52.567 53.050 0.095 0.000 0.788 762 N CB 2.130 40.692 38.487 0.125 0.000 1.361 762 N HN 0.165 nan 8.380 nan 0.000 0.489 763 Q N 1.039 120.839 119.800 0.000 0.000 2.257 763 Q HA -0.031 4.309 4.340 0.001 0.000 0.273 763 Q C 1.088 177.054 176.000 -0.057 0.000 1.153 763 Q CA 0.260 56.044 55.803 -0.031 0.000 0.922 763 Q CB 0.276 28.983 28.738 -0.052 0.000 1.242 763 Q HN 0.720 nan 8.270 nan 0.000 0.409 764 S N 4.987 120.665 115.700 -0.036 0.000 2.692 764 S HA -0.241 4.230 4.470 0.001 0.000 0.347 764 S C -0.765 173.785 174.600 -0.083 0.000 1.359 764 S CA 2.254 60.430 58.200 -0.041 0.000 1.123 764 S CB -0.944 62.240 63.200 -0.026 0.000 1.261 764 S HN 0.875 nan 8.310 nan 0.000 0.445 765 P HA -0.061 nan 4.420 nan 0.000 0.219 765 P C 1.273 178.296 177.300 -0.462 0.000 1.150 765 P CA 1.008 63.956 63.100 -0.253 0.000 0.814 765 P CB -0.279 31.258 31.700 -0.272 0.000 0.787 766 R N 0.125 120.385 120.500 -0.401 0.000 2.185 766 R HA -0.109 4.231 4.340 0.001 0.000 0.247 766 R C 1.889 178.094 176.300 -0.159 0.000 1.159 766 R CA 0.955 56.844 56.100 -0.351 0.000 0.988 766 R CB -1.248 28.977 30.300 -0.124 0.000 0.871 766 R HN 0.348 nan 8.270 nan 0.000 0.458 767 N N -0.477 118.161 118.700 -0.102 0.000 2.207 767 N HA -0.064 4.677 4.740 0.001 0.000 0.182 767 N C 1.541 177.047 175.510 -0.006 0.000 1.020 767 N CA 1.409 54.435 53.050 -0.040 0.000 0.858 767 N CB -0.436 38.029 38.487 -0.036 0.000 0.991 767 N HN 0.138 nan 8.380 nan 0.000 0.427 768 T N 1.028 115.576 114.554 -0.011 0.000 2.822 768 T HA -0.129 4.221 4.350 0.001 0.000 0.270 768 T C 1.679 176.519 174.700 0.234 0.000 1.064 768 T CA 1.121 63.270 62.100 0.081 0.000 1.131 768 T CB -0.310 68.618 68.868 0.101 0.000 0.858 768 T HN 0.400 nan 8.240 nan 0.000 0.483 769 Y N 0.850 121.135 120.300 -0.024 0.000 2.134 769 Y HA -0.104 4.447 4.550 0.001 0.000 0.283 769 Y C 2.974 178.856 175.900 -0.029 0.000 1.108 769 Y CA 0.456 58.543 58.100 -0.022 0.000 1.096 769 Y CB -0.379 38.077 38.460 -0.007 0.000 1.005 769 Y HN 0.075 nan 8.280 nan 0.000 0.487 770 Q N 1.146 121.041 119.800 0.158 0.000 2.389 770 Q HA -0.148 4.192 4.340 0.001 0.000 0.213 770 Q C 0.877 176.882 176.000 0.008 0.000 0.989 770 Q CA 1.371 57.202 55.803 0.047 0.000 0.891 770 Q CB -0.447 28.272 28.738 -0.031 0.000 0.923 770 Q HN 0.115 nan 8.270 nan 0.000 0.455 771 S N -0.796 114.916 115.700 0.021 0.000 2.815 771 S HA 0.560 5.031 4.470 0.001 0.000 0.254 771 S C 0.285 174.879 174.600 -0.010 0.000 1.197 771 S CA 0.188 58.382 58.200 -0.010 0.000 1.216 771 S CB 0.256 63.449 63.200 -0.012 0.000 0.871 771 S HN 0.509 nan 8.310 nan 0.000 0.473 772 A N 0.193 123.007 122.820 -0.010 0.000 2.018 772 A HA 0.260 4.580 4.320 0.001 0.000 0.165 772 A C 1.256 178.813 177.584 -0.045 0.000 1.969 772 A CA -0.148 51.866 52.037 -0.038 0.000 1.528 772 A CB -0.377 18.596 19.000 -0.046 0.000 1.630 772 A HN 0.432 nan 8.150 nan 0.000 0.325 773 M N 0.518 120.108 119.600 -0.015 0.000 2.447 773 M HA 0.087 4.568 4.480 0.001 0.000 0.264 773 M C 2.087 178.390 176.300 0.006 0.000 1.095 773 M CA 1.216 56.509 55.300 -0.011 0.000 1.125 773 M CB -0.122 32.492 32.600 0.023 0.000 1.389 773 M HN 0.495 nan 8.290 nan 0.000 0.459 774 G N 1.470 110.278 108.800 0.013 0.000 2.432 774 G HA2 -0.194 3.767 3.960 0.001 0.000 0.219 774 G HA3 -0.194 3.767 3.960 0.001 0.000 0.219 774 G C 1.504 176.438 174.900 0.058 0.000 1.135 774 G CA 0.627 45.753 45.100 0.045 0.000 0.767 774 G HN 0.440 nan 8.290 nan 0.000 0.550 775 K N -0.052 120.350 120.400 0.003 0.000 2.525 775 K HA 0.081 4.402 4.320 0.001 0.000 0.192 775 K C 1.639 178.197 176.600 -0.070 0.000 1.029 775 K CA 0.421 56.700 56.287 -0.013 0.000 1.029 775 K CB 0.220 32.677 32.500 -0.072 0.000 0.814 775 K HN 0.348 nan 8.250 nan 0.000 0.503 776 Q N -0.210 119.540 119.800 -0.083 0.000 2.149 776 Q HA 0.226 4.567 4.340 0.001 0.000 0.221 776 Q C -0.396 175.599 176.000 -0.008 0.000 0.807 776 Q CA -0.392 55.256 55.803 -0.257 0.000 1.000 776 Q CB 1.440 30.016 28.738 -0.270 0.000 1.157 776 Q HN 0.178 nan 8.270 nan 0.000 0.487 777 A N 0.846 123.766 122.820 0.167 0.000 2.302 777 A HA 0.548 4.869 4.320 0.001 0.000 0.285 777 A C -0.032 177.744 177.584 0.321 0.000 1.105 777 A CA -0.346 51.825 52.037 0.223 0.000 0.816 777 A CB 0.488 19.595 19.000 0.178 0.000 1.067 777 A HN 0.205 nan 8.150 nan 0.000 0.489 778 M N 1.084 120.825 119.600 0.236 0.000 2.274 778 M HA 0.482 4.963 4.480 0.001 0.000 0.344 778 M C 0.892 177.242 176.300 0.085 0.000 1.161 778 M CA 0.625 55.992 55.300 0.112 0.000 1.126 778 M CB 1.362 34.024 32.600 0.103 0.000 1.522 778 M HN 0.970 nan 8.290 nan 0.000 0.461 779 G N 1.131 109.937 108.800 0.010 0.000 2.929 779 G HA2 0.498 4.458 3.960 0.001 0.000 0.123 779 G HA3 0.498 4.458 3.960 0.001 0.000 0.123 779 G C -1.599 173.275 174.900 -0.044 0.000 1.212 779 G CA -0.374 44.730 45.100 0.006 0.000 1.238 779 G HN 0.501 nan 8.290 nan 0.000 0.617 780 V N 2.020 121.899 119.914 -0.059 0.000 2.595 780 V HA 0.268 4.388 4.120 0.001 0.000 0.269 780 V C 0.460 176.482 176.094 -0.119 0.000 0.982 780 V CA -0.413 61.797 62.300 -0.150 0.000 0.873 780 V CB 0.555 32.273 31.823 -0.174 0.000 1.051 780 V HN 0.848 nan 8.190 nan 0.000 0.466 781 F N 2.986 122.903 119.950 -0.055 0.000 2.451 781 F HA 0.436 4.963 4.527 0.001 0.000 0.299 781 F C 0.321 176.186 175.800 0.109 0.000 1.101 781 F CA 0.751 58.776 58.000 0.041 0.000 1.436 781 F CB -0.045 38.949 39.000 -0.010 0.000 1.074 781 F HN 0.263 nan 8.300 nan 0.000 0.553 782 L N -0.957 119.924 121.223 -0.570 0.000 2.999 782 L HA 0.196 4.536 4.340 0.001 0.000 0.274 782 L C 0.680 177.341 176.870 -0.348 0.000 1.044 782 L CA -0.077 54.573 54.840 -0.318 0.000 0.943 782 L CB 1.879 43.800 42.059 -0.230 0.000 1.522 782 L HN -0.010 nan 8.230 nan 0.000 0.400 783 T N -4.233 110.194 114.554 -0.212 0.000 3.001 783 T HA 0.003 4.354 4.350 0.001 0.000 0.251 783 T C 0.875 175.376 174.700 -0.332 0.000 1.040 783 T CA 0.313 62.292 62.100 -0.201 0.000 0.985 783 T CB -0.246 68.555 68.868 -0.110 0.000 1.011 783 T HN 0.632 nan 8.240 nan 0.000 0.509 784 N N 1.532 120.049 118.700 -0.306 0.000 2.370 784 N HA -0.044 4.696 4.740 0.001 0.000 0.198 784 N C 1.413 176.748 175.510 -0.292 0.000 1.156 784 N CA -0.058 52.809 53.050 -0.304 0.000 0.839 784 N CB -0.741 37.618 38.487 -0.214 0.000 0.989 784 N HN 0.688 nan 8.380 nan 0.000 0.468 785 Y N 0.647 120.744 120.300 -0.339 0.000 2.256 785 Y HA -0.081 4.469 4.550 0.001 0.000 0.288 785 Y C 1.735 177.471 175.900 -0.273 0.000 1.155 785 Y CA 1.245 59.144 58.100 -0.335 0.000 1.203 785 Y CB -1.230 36.902 38.460 -0.547 0.000 0.980 785 Y HN 0.003 nan 8.280 nan 0.000 0.530 786 N N 0.330 118.533 118.700 -0.829 0.000 2.519 786 N HA -0.081 4.660 4.740 0.001 0.000 0.186 786 N C 0.388 175.787 175.510 -0.185 0.000 1.062 786 N CA 1.172 53.939 53.050 -0.472 0.000 0.910 786 N CB -0.037 38.108 38.487 -0.569 0.000 0.958 786 N HN 0.359 nan 8.380 nan 0.000 0.445 787 V N -0.507 119.308 119.914 -0.166 0.000 3.159 787 V HA 0.311 4.432 4.120 0.001 0.000 0.333 787 V C 0.137 176.217 176.094 -0.023 0.000 1.424 787 V CA -0.258 61.995 62.300 -0.079 0.000 1.125 787 V CB -0.059 31.706 31.823 -0.096 0.000 1.075 787 V HN 0.069 nan 8.190 nan 0.000 0.482 788 R N 0.926 121.431 120.500 0.007 0.000 2.445 788 R HA 0.576 4.917 4.340 0.001 0.000 0.308 788 R C -0.455 175.889 176.300 0.073 0.000 0.961 788 R CA -0.635 55.501 56.100 0.060 0.000 0.862 788 R CB 1.693 32.069 30.300 0.127 0.000 1.144 788 R HN 0.095 nan 8.270 nan 0.000 0.447 789 M N 3.795 123.438 119.600 0.072 0.000 3.494 789 M HA 0.134 4.615 4.480 0.001 0.000 0.213 789 M C -0.992 175.344 176.300 0.060 0.000 1.255 789 M CA -0.722 54.621 55.300 0.071 0.000 1.360 789 M CB -0.498 32.146 32.600 0.073 0.000 1.138 789 M HN 0.475 nan 8.290 nan 0.000 0.615 790 D N 0.056 120.486 120.400 0.050 0.000 2.168 790 D HA 0.331 4.972 4.640 0.001 0.000 0.246 790 D C 0.062 176.357 176.300 -0.009 0.000 1.050 790 D CA -0.519 53.489 54.000 0.012 0.000 0.857 790 D CB 0.593 41.381 40.800 -0.021 0.000 1.169 790 D HN 0.232 nan 8.370 nan 0.000 0.453 791 T N -0.051 114.486 114.554 -0.030 0.000 2.829 791 T HA 0.241 4.591 4.350 0.001 0.000 0.293 791 T C 0.844 175.525 174.700 -0.032 0.000 0.970 791 T CA -0.739 61.327 62.100 -0.056 0.000 1.168 791 T CB -0.187 68.642 68.868 -0.065 0.000 0.911 791 T HN 0.669 nan 8.240 nan 0.000 0.535 792 M N 1.572 121.164 119.600 -0.013 0.000 4.047 792 M HA -0.061 4.420 4.480 0.001 0.000 0.157 792 M C -0.714 175.649 176.300 0.106 0.000 1.532 792 M CA 0.903 56.283 55.300 0.133 0.000 1.097 792 M CB -0.967 31.741 32.600 0.181 0.000 1.346 792 M HN 1.490 nan 8.290 nan 0.000 0.190 793 A N 5.050 128.012 122.820 0.237 0.000 2.547 793 A HA 0.674 4.994 4.320 0.001 0.000 0.298 793 A C -1.401 176.326 177.584 0.238 0.000 1.062 793 A CA -0.884 51.199 52.037 0.076 0.000 0.748 793 A CB 1.245 20.247 19.000 0.002 0.000 1.288 793 A HN 0.760 nan 8.150 nan 0.000 0.396 794 N N 1.158 119.854 118.700 -0.007 0.000 2.408 794 N HA 0.622 5.362 4.740 0.001 0.000 0.280 794 N C -1.482 173.994 175.510 -0.057 0.000 1.002 794 N CA -0.211 52.841 53.050 0.003 0.000 0.907 794 N CB 1.836 40.212 38.487 -0.184 0.000 1.161 794 N HN 0.475 nan 8.380 nan 0.000 0.488 795 I N 2.532 123.098 120.570 -0.006 0.000 2.418 795 I HA 0.204 4.374 4.170 0.001 0.000 0.287 795 I C -0.428 175.710 176.117 0.034 0.000 1.008 795 I CA -0.740 60.494 61.300 -0.109 0.000 1.104 795 I CB 1.566 39.314 38.000 -0.419 0.000 1.264 795 I HN 0.303 nan 8.210 nan 0.000 0.438 796 L N 7.533 128.776 121.223 0.034 0.000 2.462 796 L HA 0.084 4.424 4.340 0.001 0.000 0.272 796 L C 0.663 177.640 176.870 0.179 0.000 1.166 796 L CA 0.695 55.599 54.840 0.106 0.000 0.880 796 L CB -0.079 42.032 42.059 0.087 0.000 1.142 796 L HN 0.506 nan 8.230 nan 0.000 0.473 797 Y N 5.186 125.476 120.300 -0.017 0.000 2.030 797 Y HA -0.210 4.341 4.550 0.001 0.000 0.274 797 Y C 0.555 176.563 175.900 0.179 0.000 1.153 797 Y CA 1.662 59.733 58.100 -0.049 0.000 1.115 797 Y CB -0.453 37.811 38.460 -0.326 0.000 0.969 797 Y HN 0.509 nan 8.280 nan 0.000 0.488 798 Y N 0.626 121.009 120.300 0.138 0.000 2.842 798 Y HA 0.304 4.855 4.550 0.001 0.000 0.334 798 Y C -2.226 173.655 175.900 -0.032 0.000 1.019 798 Y CA -2.933 55.182 58.100 0.024 0.000 1.258 798 Y CB 0.667 39.132 38.460 0.008 0.000 1.106 798 Y HN -0.029 nan 8.280 nan 0.000 0.545 799 P HA 0.148 nan 4.420 nan 0.000 0.274 799 P C -1.026 176.283 177.300 0.015 0.000 1.246 799 P CA -0.204 62.917 63.100 0.035 0.000 0.795 799 P CB 0.744 32.433 31.700 -0.019 0.000 1.006 800 Q N 0.421 120.245 119.800 0.040 0.000 2.334 800 Q HA 0.173 4.513 4.340 0.001 0.000 0.249 800 Q C -0.649 175.329 176.000 -0.037 0.000 0.909 800 Q CA -0.936 54.878 55.803 0.017 0.000 0.823 800 Q CB 1.965 30.744 28.738 0.069 0.000 1.353 800 Q HN 0.403 nan 8.270 nan 0.000 0.433 801 K N 1.709 122.021 120.400 -0.145 0.000 2.518 801 K HA 0.195 4.516 4.320 0.001 0.000 0.276 801 K C -2.282 174.102 176.600 -0.360 0.000 0.974 801 K CA -0.846 55.299 56.287 -0.237 0.000 0.986 801 K CB 0.017 32.411 32.500 -0.177 0.000 0.901 801 K HN 0.135 nan 8.250 nan 0.000 0.497 802 P HA 0.020 nan 4.420 nan 0.000 0.276 802 P C 0.368 177.465 177.300 -0.339 0.000 1.244 802 P CA -0.411 62.215 63.100 -0.791 0.000 0.801 802 P CB 0.846 31.902 31.700 -1.074 0.000 1.006 803 L N 0.768 121.852 121.223 -0.231 0.000 2.044 803 L HA 0.061 4.401 4.340 0.001 0.000 0.205 803 L C 1.712 178.496 176.870 -0.142 0.000 1.075 803 L CA 1.371 56.128 54.840 -0.138 0.000 0.747 803 L CB -1.038 40.971 42.059 -0.084 0.000 0.903 803 L HN 0.493 nan 8.230 nan 0.000 0.435 804 G N -0.038 108.665 108.800 -0.162 0.000 2.355 804 G HA2 0.434 4.394 3.960 0.001 0.000 0.276 804 G HA3 0.434 4.394 3.960 0.001 0.000 0.276 804 G C -0.207 174.552 174.900 -0.234 0.000 1.198 804 G CA 0.070 45.051 45.100 -0.198 0.000 0.876 804 G HN 0.212 nan 8.290 nan 0.000 0.478 805 T N -1.273 113.145 114.554 -0.228 0.000 2.716 805 T HA 0.802 5.152 4.350 0.001 0.000 0.286 805 T C -0.456 174.116 174.700 -0.212 0.000 1.052 805 T CA -0.798 61.176 62.100 -0.210 0.000 1.024 805 T CB 2.247 71.021 68.868 -0.156 0.000 1.349 805 T HN 0.374 nan 8.240 nan 0.000 0.525 806 T N 0.984 115.427 114.554 -0.186 0.000 2.921 806 T HA 0.384 4.735 4.350 0.001 0.000 0.297 806 T C 1.048 175.636 174.700 -0.187 0.000 1.013 806 T CA -0.921 61.082 62.100 -0.162 0.000 0.990 806 T CB 1.885 70.667 68.868 -0.142 0.000 1.023 806 T HN 0.567 nan 8.240 nan 0.000 0.447 807 R N 1.700 122.026 120.500 -0.291 0.000 2.185 807 R HA -0.158 4.183 4.340 0.001 0.000 0.247 807 R C 2.211 178.310 176.300 -0.335 0.000 1.159 807 R CA 1.490 57.237 56.100 -0.589 0.000 0.988 807 R CB -1.004 28.424 30.300 -1.454 0.000 0.871 807 R HN 0.716 nan 8.270 nan 0.000 0.458 808 A N 1.189 123.926 122.820 -0.138 0.000 1.930 808 A HA -0.107 4.213 4.320 0.001 0.000 0.217 808 A C 2.308 179.983 177.584 0.151 0.000 1.175 808 A CA 1.241 53.333 52.037 0.091 0.000 0.627 808 A CB -0.382 18.661 19.000 0.071 0.000 0.815 808 A HN 0.207 nan 8.150 nan 0.000 0.443 809 M N -0.902 118.693 119.600 -0.008 0.000 2.106 809 M HA -0.242 4.238 4.480 0.001 0.000 0.259 809 M C 2.060 178.361 176.300 0.003 0.000 1.068 809 M CA 2.035 57.324 55.300 -0.018 0.000 1.100 809 M CB -0.614 31.953 32.600 -0.056 0.000 1.351 809 M HN 0.596 nan 8.290 nan 0.000 0.404 810 E N 0.200 120.337 120.200 -0.104 0.000 2.236 810 E HA -0.250 4.101 4.350 0.001 0.000 0.205 810 E C 1.389 177.699 176.600 -0.483 0.000 1.028 810 E CA 1.879 58.061 56.400 -0.363 0.000 0.827 810 E CB -0.018 29.292 29.700 -0.649 0.000 0.735 810 E HN 0.665 nan 8.360 nan 0.000 0.470 811 Y N -1.067 119.189 120.300 -0.072 0.000 2.497 811 Y HA 0.176 4.726 4.550 0.001 0.000 0.265 811 Y C 1.607 177.390 175.900 -0.195 0.000 1.111 811 Y CA 0.122 58.118 58.100 -0.173 0.000 1.288 811 Y CB 0.211 38.418 38.460 -0.422 0.000 1.082 811 Y HN -0.038 nan 8.280 nan 0.000 0.536 812 L N 0.748 121.989 121.223 0.031 0.000 2.653 812 L HA 0.091 4.431 4.340 0.001 0.000 0.232 812 L C 0.041 177.039 176.870 0.213 0.000 1.169 812 L CA -0.032 54.854 54.840 0.077 0.000 0.951 812 L CB -0.260 41.825 42.059 0.042 0.000 1.181 812 L HN 0.010 nan 8.230 nan 0.000 0.460 813 K N -0.053 120.414 120.400 0.113 0.000 3.777 813 K HA -0.268 4.052 4.320 0.001 0.000 0.276 813 K C 0.399 176.991 176.600 -0.013 0.000 0.877 813 K CA 0.653 56.950 56.287 0.018 0.000 0.724 813 K CB -1.840 30.645 32.500 -0.024 0.000 1.589 813 K HN 0.221 nan 8.250 nan 0.000 0.444 814 F N 0.907 120.790 119.950 -0.111 0.000 2.298 814 F HA 0.071 4.599 4.527 0.001 0.000 0.282 814 F C 2.096 177.804 175.800 -0.152 0.000 1.045 814 F CA 0.560 58.498 58.000 -0.103 0.000 1.280 814 F CB 0.068 39.028 39.000 -0.067 0.000 1.114 814 F HN 0.168 nan 8.300 nan 0.000 0.546 815 R N 0.235 120.696 120.500 -0.065 0.000 2.316 815 R HA -0.190 4.150 4.340 0.001 0.000 0.232 815 R C 1.508 177.661 176.300 -0.245 0.000 1.137 815 R CA 1.524 57.526 56.100 -0.164 0.000 1.012 815 R CB -0.435 29.809 30.300 -0.092 0.000 0.859 815 R HN 0.359 nan 8.270 nan 0.000 0.474 816 E N 0.038 120.057 120.200 -0.303 0.000 2.190 816 E HA 0.097 4.447 4.350 0.001 0.000 0.191 816 E C 0.219 176.503 176.600 -0.528 0.000 0.978 816 E CA 0.667 56.833 56.400 -0.389 0.000 0.839 816 E CB 0.510 29.902 29.700 -0.513 0.000 0.787 816 E HN 0.152 nan 8.360 nan 0.000 0.473 817 L N 1.542 122.408 121.223 -0.596 0.000 2.511 817 L HA 0.339 4.679 4.340 0.001 0.000 0.252 817 L C -2.350 174.183 176.870 -0.562 0.000 1.542 817 L CA -1.631 52.886 54.840 -0.538 0.000 0.822 817 L CB 0.982 42.665 42.059 -0.627 0.000 1.050 817 L HN -0.053 nan 8.230 nan 0.000 0.516 818 P HA -0.044 nan 4.420 nan 0.000 0.273 818 P C 0.180 177.305 177.300 -0.292 0.000 1.248 818 P CA 0.008 62.675 63.100 -0.722 0.000 0.817 818 P CB 1.164 32.671 31.700 -0.321 0.000 0.995 819 A N -1.171 121.662 122.820 0.022 0.000 2.543 819 A HA 0.614 4.934 4.320 0.001 0.000 0.279 819 A C 0.333 177.988 177.584 0.117 0.000 0.917 819 A CA 0.436 52.570 52.037 0.161 0.000 1.036 819 A CB -0.097 19.092 19.000 0.315 0.000 1.227 819 A HN 0.807 nan 8.150 nan 0.000 0.503 820 G N -0.729 108.113 108.800 0.071 0.000 2.341 820 G HA2 0.511 4.471 3.960 0.001 0.000 0.299 820 G HA3 0.511 4.471 3.960 0.001 0.000 0.299 820 G C -1.891 172.940 174.900 -0.115 0.000 1.274 820 G CA -0.487 44.472 45.100 -0.236 0.000 0.853 820 G HN 0.246 nan 8.290 nan 0.000 0.493 821 Q N -0.075 119.568 119.800 -0.261 0.000 2.345 821 Q HA 0.349 4.689 4.340 0.001 0.000 0.275 821 Q C -1.119 174.972 176.000 0.153 0.000 1.063 821 Q CA -0.984 54.785 55.803 -0.057 0.000 0.819 821 Q CB 2.440 30.862 28.738 -0.527 0.000 1.356 821 Q HN 0.456 nan 8.270 nan 0.000 0.418 822 N N 1.381 120.233 118.700 0.254 0.000 2.399 822 N HA 0.237 4.978 4.740 0.001 0.000 0.259 822 N C -1.129 174.452 175.510 0.117 0.000 1.160 822 N CA 0.147 53.332 53.050 0.226 0.000 0.946 822 N CB 0.994 39.556 38.487 0.124 0.000 1.156 822 N HN 0.514 nan 8.380 nan 0.000 0.489 823 A N 3.569 126.490 122.820 0.168 0.000 2.276 823 A HA 0.349 4.670 4.320 0.001 0.000 0.316 823 A C 0.562 178.227 177.584 0.135 0.000 1.229 823 A CA -0.718 51.402 52.037 0.139 0.000 0.851 823 A CB 0.529 19.651 19.000 0.203 0.000 1.165 823 A HN 0.532 nan 8.150 nan 0.000 0.513 824 I N 4.379 125.012 120.570 0.105 0.000 2.755 824 I HA -0.020 4.150 4.170 0.001 0.000 0.303 824 I C 0.675 176.857 176.117 0.108 0.000 1.168 824 I CA 0.652 62.042 61.300 0.150 0.000 1.588 824 I CB -1.341 36.778 38.000 0.198 0.000 1.509 824 I HN 0.281 nan 8.210 nan 0.000 0.734 825 V N 5.399 125.363 119.914 0.083 0.000 3.319 825 V HA 0.507 4.627 4.120 0.001 0.000 0.303 825 V C 0.681 176.628 176.094 -0.245 0.000 1.094 825 V CA -0.302 61.997 62.300 -0.001 0.000 1.106 825 V CB 1.647 33.563 31.823 0.154 0.000 1.099 825 V HN 0.858 nan 8.190 nan 0.000 0.476 826 A N 3.527 126.186 122.820 -0.268 0.000 2.604 826 A HA 0.531 4.852 4.320 0.001 0.000 0.285 826 A C -0.821 176.639 177.584 -0.207 0.000 1.095 826 A CA -0.505 51.261 52.037 -0.451 0.000 0.842 826 A CB 0.472 19.017 19.000 -0.759 0.000 1.385 826 A HN 0.624 nan 8.150 nan 0.000 0.404 827 I N 2.645 123.167 120.570 -0.080 0.000 2.357 827 I HA 0.413 4.583 4.170 0.001 0.000 0.300 827 I C 0.674 176.745 176.117 -0.076 0.000 1.159 827 I CA 0.596 61.890 61.300 -0.010 0.000 1.339 827 I CB 0.163 38.226 38.000 0.106 0.000 1.458 827 I HN 0.750 nan 8.210 nan 0.000 0.577 828 A N 5.194 127.960 122.820 -0.090 0.000 2.581 828 A HA 0.601 4.921 4.320 0.001 0.000 0.290 828 A C -1.355 176.213 177.584 -0.026 0.000 1.119 828 A CA -0.471 51.515 52.037 -0.085 0.000 0.670 828 A CB 1.377 20.299 19.000 -0.129 0.000 1.280 828 A HN 0.518 nan 8.150 nan 0.000 0.425 829 C N 1.099 120.403 119.300 0.007 0.000 2.265 829 C HA 0.732 5.192 4.460 0.001 0.000 0.332 829 C C -0.380 174.717 174.990 0.178 0.000 1.248 829 C CA -0.007 59.052 59.018 0.067 0.000 1.727 829 C CB -1.202 26.558 27.740 0.033 0.000 2.348 829 C HN 0.679 nan 8.230 nan 0.000 0.519 830 Y N 1.619 121.907 120.300 -0.021 0.000 2.857 830 Y HA 0.469 5.020 4.550 0.001 0.000 0.318 830 Y C 1.710 177.639 175.900 0.047 0.000 1.313 830 Y CA 0.140 58.211 58.100 -0.048 0.000 1.117 830 Y CB 0.948 39.344 38.460 -0.107 0.000 1.344 830 Y HN 0.736 nan 8.280 nan 0.000 0.525 831 S N 0.336 115.917 115.700 -0.198 0.000 2.705 831 S HA -0.352 4.118 4.470 0.001 0.000 0.359 831 S C 1.380 176.124 174.600 0.240 0.000 1.373 831 S CA 2.720 60.973 58.200 0.088 0.000 1.179 831 S CB -1.672 61.756 63.200 0.380 0.000 1.312 831 S HN 2.201 nan 8.310 nan 0.000 0.458 832 G N -1.803 107.183 108.800 0.310 0.000 2.507 832 G HA2 -0.015 3.945 3.960 0.001 0.000 0.205 832 G HA3 -0.015 3.945 3.960 0.001 0.000 0.205 832 G C 0.260 175.193 174.900 0.055 0.000 0.996 832 G CA 0.324 45.507 45.100 0.138 0.000 0.776 832 G HN 0.540 nan 8.290 nan 0.000 0.532 833 Y N 1.831 122.192 120.300 0.103 0.000 2.517 833 Y HA 0.109 4.659 4.550 0.001 0.000 0.281 833 Y C 2.314 178.258 175.900 0.072 0.000 1.125 833 Y CA 1.021 59.172 58.100 0.084 0.000 1.283 833 Y CB 0.166 38.687 38.460 0.102 0.000 1.042 833 Y HN 0.471 nan 8.280 nan 0.000 0.547 834 N N 0.010 118.835 118.700 0.207 0.000 2.398 834 N HA -0.048 4.692 4.740 0.001 0.000 0.188 834 N C 0.391 175.952 175.510 0.085 0.000 1.122 834 N CA 0.029 53.159 53.050 0.133 0.000 0.866 834 N CB -0.188 38.374 38.487 0.126 0.000 0.970 834 N HN 0.343 nan 8.380 nan 0.000 0.462 835 Q N 0.973 120.813 119.800 0.066 0.000 2.539 835 Q HA -0.047 4.294 4.340 0.001 0.000 0.268 835 Q C -0.245 175.766 176.000 0.018 0.000 1.109 835 Q CA 0.256 56.084 55.803 0.043 0.000 0.968 835 Q CB 0.346 29.082 28.738 -0.003 0.000 1.309 835 Q HN 0.202 nan 8.270 nan 0.000 0.497 836 E N 2.173 122.379 120.200 0.010 0.000 2.106 836 E HA -0.333 4.018 4.350 0.001 0.000 0.175 836 E C -1.060 175.542 176.600 0.002 0.000 1.448 836 E CA 1.314 57.709 56.400 -0.008 0.000 0.672 836 E CB -1.470 28.209 29.700 -0.035 0.000 1.057 836 E HN 0.788 nan 8.360 nan 0.000 0.321 837 D N -0.896 119.518 120.400 0.023 0.000 2.739 837 D HA -0.154 4.487 4.640 0.001 0.000 0.240 837 D C -0.976 175.337 176.300 0.022 0.000 1.114 837 D CA 1.416 55.431 54.000 0.025 0.000 0.695 837 D CB -0.788 40.022 40.800 0.017 0.000 1.078 837 D HN 0.444 nan 8.370 nan 0.000 0.434 838 S N -0.785 114.932 115.700 0.030 0.000 2.546 838 S HA 0.724 5.195 4.470 0.001 0.000 0.272 838 S C -0.100 174.527 174.600 0.045 0.000 1.140 838 S CA -1.286 56.932 58.200 0.030 0.000 0.920 838 S CB 1.972 65.185 63.200 0.022 0.000 1.083 838 S HN 0.279 nan 8.310 nan 0.000 0.476 839 M N 1.617 121.238 119.600 0.035 0.000 2.528 839 M HA 0.624 5.105 4.480 0.001 0.000 0.318 839 M C -1.088 175.245 176.300 0.056 0.000 1.195 839 M CA -0.683 54.631 55.300 0.023 0.000 1.000 839 M CB 0.572 33.135 32.600 -0.062 0.000 1.615 839 M HN 0.641 nan 8.290 nan 0.000 0.469 840 I N 2.629 123.243 120.570 0.074 0.000 2.315 840 I HA 0.369 4.540 4.170 0.001 0.000 0.291 840 I C -0.439 175.719 176.117 0.069 0.000 1.006 840 I CA -0.268 61.112 61.300 0.133 0.000 1.265 840 I CB 1.506 39.648 38.000 0.237 0.000 1.387 840 I HN 0.741 nan 8.210 nan 0.000 0.475 841 M N 6.523 126.157 119.600 0.058 0.000 2.294 841 M HA 0.333 4.813 4.480 0.001 0.000 0.335 841 M C -0.340 175.996 176.300 0.059 0.000 1.079 841 M CA -0.669 54.642 55.300 0.019 0.000 0.982 841 M CB 1.357 33.951 32.600 -0.010 0.000 1.651 841 M HN 0.468 nan 8.290 nan 0.000 0.437 842 N N 3.199 121.930 118.700 0.053 0.000 2.411 842 N HA -0.080 4.660 4.740 0.001 0.000 0.265 842 N C 0.381 175.929 175.510 0.064 0.000 1.266 842 N CA 0.503 53.599 53.050 0.078 0.000 0.889 842 N CB 1.007 39.528 38.487 0.056 0.000 1.069 842 N HN 0.721 nan 8.380 nan 0.000 0.476 843 Q N 2.873 122.716 119.800 0.072 0.000 2.020 843 Q HA -0.028 4.312 4.340 0.001 0.000 0.198 843 Q C 1.481 177.508 176.000 0.045 0.000 0.974 843 Q CA 1.650 57.481 55.803 0.045 0.000 0.829 843 Q CB -0.557 28.202 28.738 0.034 0.000 0.894 843 Q HN 0.704 nan 8.270 nan 0.000 0.433 844 S N 0.491 116.224 115.700 0.056 0.000 2.404 844 S HA -0.270 4.201 4.470 0.001 0.000 0.230 844 S C 1.920 176.546 174.600 0.044 0.000 1.046 844 S CA 2.302 60.531 58.200 0.048 0.000 1.135 844 S CB -0.914 62.319 63.200 0.055 0.000 1.056 844 S HN 0.738 nan 8.310 nan 0.000 0.426 845 S N 1.414 117.142 115.700 0.047 0.000 2.423 845 S HA -0.104 4.366 4.470 0.001 0.000 0.238 845 S C 1.690 176.314 174.600 0.040 0.000 1.028 845 S CA 1.276 59.502 58.200 0.043 0.000 1.000 845 S CB -0.795 62.431 63.200 0.043 0.000 0.797 845 S HN 0.505 nan 8.310 nan 0.000 0.487 846 I N 1.975 122.570 120.570 0.041 0.000 2.315 846 I HA -0.143 4.028 4.170 0.001 0.000 0.248 846 I C 2.042 178.170 176.117 0.018 0.000 1.117 846 I CA 1.322 62.645 61.300 0.038 0.000 1.404 846 I CB -0.446 37.579 38.000 0.040 0.000 1.071 846 I HN 0.230 nan 8.210 nan 0.000 0.419 847 D N 1.151 121.564 120.400 0.022 0.000 2.084 847 D HA -0.145 4.496 4.640 0.001 0.000 0.194 847 D C 2.046 178.361 176.300 0.024 0.000 0.990 847 D CA 1.102 55.113 54.000 0.018 0.000 0.826 847 D CB -0.374 40.440 40.800 0.024 0.000 0.971 847 D HN 0.276 nan 8.370 nan 0.000 0.453 848 R N 0.072 120.594 120.500 0.037 0.000 2.397 848 R HA 0.028 4.368 4.340 0.001 0.000 0.213 848 R C 1.099 177.439 176.300 0.067 0.000 1.102 848 R CA 0.793 56.928 56.100 0.058 0.000 1.040 848 R CB -0.235 30.102 30.300 0.062 0.000 0.844 848 R HN 0.264 nan 8.270 nan 0.000 0.478 849 G N 0.876 109.683 108.800 0.012 0.000 2.135 849 G HA2 -0.210 3.751 3.960 0.001 0.000 0.183 849 G HA3 -0.210 3.751 3.960 0.001 0.000 0.183 849 G C -0.264 174.580 174.900 -0.092 0.000 1.004 849 G CA -0.414 44.645 45.100 -0.069 0.000 0.677 849 G HN 0.210 nan 8.290 nan 0.000 0.512 850 L N 0.347 121.554 121.223 -0.028 0.000 2.410 850 L HA 0.704 5.045 4.340 0.001 0.000 0.273 850 L C 1.243 178.124 176.870 0.017 0.000 1.152 850 L CA 0.082 54.892 54.840 -0.049 0.000 0.855 850 L CB -0.750 41.312 42.059 0.005 0.000 1.129 850 L HN 0.629 nan 8.230 nan 0.000 0.463 851 F N 2.355 122.265 119.950 -0.067 0.000 3.079 851 F HA -0.312 4.215 4.527 0.001 0.000 0.285 851 F C 1.162 176.905 175.800 -0.096 0.000 0.819 851 F CA 0.861 58.829 58.000 -0.054 0.000 1.067 851 F CB -0.864 38.108 39.000 -0.048 0.000 1.263 851 F HN 0.614 nan 8.300 nan 0.000 0.458 852 R N 0.608 121.035 120.500 -0.123 0.000 2.679 852 R HA 0.517 4.858 4.340 0.001 0.000 0.269 852 R C 0.527 176.577 176.300 -0.416 0.000 1.076 852 R CA 0.596 56.452 56.100 -0.407 0.000 1.160 852 R CB 1.151 30.916 30.300 -0.892 0.000 1.054 852 R HN 0.243 nan 8.270 nan 0.000 0.507 853 S N 1.160 116.618 115.700 -0.404 0.000 2.618 853 S HA 0.524 4.994 4.470 0.001 0.000 0.277 853 S C -0.557 174.071 174.600 0.047 0.000 1.138 853 S CA -1.058 57.094 58.200 -0.080 0.000 0.844 853 S CB 1.322 64.533 63.200 0.020 0.000 1.127 853 S HN 0.353 nan 8.310 nan 0.000 0.474 854 L N 1.064 122.450 121.223 0.271 0.000 2.400 854 L HA 0.728 5.068 4.340 0.001 0.000 0.264 854 L C -1.149 175.947 176.870 0.376 0.000 1.061 854 L CA -0.830 54.223 54.840 0.355 0.000 0.799 854 L CB 1.359 43.724 42.059 0.510 0.000 1.240 854 L HN 0.793 nan 8.230 nan 0.000 0.461 855 F N 1.588 121.609 119.950 0.118 0.000 2.689 855 F HA 0.463 4.991 4.527 0.001 0.000 0.332 855 F C -1.646 174.168 175.800 0.023 0.000 1.209 855 F CA -1.206 56.861 58.000 0.111 0.000 1.028 855 F CB 0.986 39.993 39.000 0.012 0.000 1.291 855 F HN 0.014 nan 8.300 nan 0.000 0.500 856 F N 5.702 125.494 119.950 -0.263 0.000 2.444 856 F HA 0.636 5.164 4.527 0.001 0.000 0.342 856 F C 0.078 175.549 175.800 -0.548 0.000 1.121 856 F CA -0.685 57.090 58.000 -0.375 0.000 0.997 856 F CB 1.762 40.711 39.000 -0.086 0.000 1.130 856 F HN 0.482 nan 8.300 nan 0.000 0.454 857 R N 1.101 121.332 120.500 -0.448 0.000 2.670 857 R HA 0.754 5.094 4.340 0.001 0.000 0.289 857 R C -1.390 174.784 176.300 -0.209 0.000 0.965 857 R CA -0.515 55.361 56.100 -0.373 0.000 0.899 857 R CB 1.622 31.619 30.300 -0.505 0.000 1.173 857 R HN 0.669 nan 8.270 nan 0.000 0.456 858 S N 3.421 118.992 115.700 -0.214 0.000 2.718 858 S HA 0.320 4.790 4.470 0.001 0.000 0.294 858 S C -1.253 173.255 174.600 -0.153 0.000 1.157 858 S CA -0.644 57.494 58.200 -0.103 0.000 1.121 858 S CB 0.342 63.528 63.200 -0.023 0.000 1.015 858 S HN 0.406 nan 8.310 nan 0.000 0.479 859 Y N 2.414 122.674 120.300 -0.067 0.000 2.314 859 Y HA 0.556 5.106 4.550 0.001 0.000 0.334 859 Y C 0.582 176.428 175.900 -0.090 0.000 1.266 859 Y CA -0.640 57.422 58.100 -0.064 0.000 1.391 859 Y CB 0.524 38.942 38.460 -0.070 0.000 1.306 859 Y HN 0.461 nan 8.280 nan 0.000 0.558 860 M N 1.690 121.330 119.600 0.067 0.000 2.664 860 M HA 0.468 4.948 4.480 0.001 0.000 0.279 860 M C -2.279 174.011 176.300 -0.017 0.000 1.275 860 M CA -0.415 54.848 55.300 -0.061 0.000 0.829 860 M CB 2.942 35.492 32.600 -0.082 0.000 1.727 860 M HN 0.868 nan 8.290 nan 0.000 0.459 861 D N 0.883 121.237 120.400 -0.077 0.000 2.728 861 D HA 0.346 4.987 4.640 0.001 0.000 0.249 861 D C -1.989 174.426 176.300 0.191 0.000 1.225 861 D CA -0.050 54.012 54.000 0.104 0.000 0.748 861 D CB 1.922 42.847 40.800 0.208 0.000 1.326 861 D HN 0.741 nan 8.370 nan 0.000 0.426 862 Q N 0.203 120.153 119.800 0.249 0.000 2.668 862 Q HA 0.478 4.819 4.340 0.001 0.000 0.298 862 Q C -0.858 175.170 176.000 0.046 0.000 1.071 862 Q CA -0.774 55.186 55.803 0.261 0.000 0.789 862 Q CB 2.280 31.178 28.738 0.267 0.000 1.497 862 Q HN 0.211 nan 8.270 nan 0.000 0.460 863 E N 1.336 121.529 120.200 -0.012 0.000 2.400 863 E HA 0.178 4.529 4.350 0.001 0.000 0.232 863 E C -1.179 175.394 176.600 -0.046 0.000 0.988 863 E CA -0.250 56.062 56.400 -0.147 0.000 0.823 863 E CB 0.772 30.353 29.700 -0.198 0.000 1.246 863 E HN 0.192 nan 8.360 nan 0.000 0.441 864 K N 1.893 122.272 120.400 -0.035 0.000 2.561 864 K HA 0.003 4.323 4.320 0.001 0.000 0.280 864 K C 0.325 176.887 176.600 -0.063 0.000 0.975 864 K CA 0.540 56.783 56.287 -0.073 0.000 1.024 864 K CB 0.562 33.005 32.500 -0.096 0.000 0.883 864 K HN 0.058 nan 8.250 nan 0.000 0.496 865 K N 1.713 122.010 120.400 -0.172 0.000 2.313 865 K HA 0.445 4.765 4.320 0.001 0.000 0.235 865 K C -1.306 175.111 176.600 -0.305 0.000 1.035 865 K CA -0.858 55.396 56.287 -0.055 0.000 0.868 865 K CB 1.253 33.746 32.500 -0.012 0.000 1.232 865 K HN 0.396 nan 8.250 nan 0.000 0.459 866 Y N -1.243 119.057 120.300 0.001 0.000 2.332 866 Y HA 0.195 4.745 4.550 0.001 0.000 0.325 866 Y C 1.189 177.093 175.900 0.006 0.000 1.054 866 Y CA -0.652 57.451 58.100 0.004 0.000 1.119 866 Y CB 1.737 40.198 38.460 0.002 0.000 1.168 866 Y HN 0.832 nan 8.280 nan 0.000 0.439 867 G N 2.194 111.061 108.800 0.112 0.000 2.656 867 G HA2 -0.342 3.619 3.960 0.001 0.000 0.223 867 G HA3 -0.342 3.619 3.960 0.001 0.000 0.223 867 G C 1.150 176.097 174.900 0.079 0.000 1.130 867 G CA 0.990 46.135 45.100 0.076 0.000 0.758 867 G HN 0.652 nan 8.290 nan 0.000 0.608 868 M N 1.654 121.312 119.600 0.097 0.000 2.888 868 M HA 0.268 4.749 4.480 0.001 0.000 0.216 868 M C 0.311 176.646 176.300 0.057 0.000 1.291 868 M CA -0.135 55.203 55.300 0.064 0.000 1.105 868 M CB -0.347 32.284 32.600 0.051 0.000 1.581 868 M HN 0.096 nan 8.290 nan 0.000 0.439 869 S N 1.333 117.077 115.700 0.073 0.000 3.407 869 S HA -0.152 4.318 4.470 0.001 0.000 0.394 869 S C -0.508 174.119 174.600 0.044 0.000 0.801 869 S CA 0.557 58.794 58.200 0.062 0.000 1.347 869 S CB -1.083 62.139 63.200 0.037 0.000 1.257 869 S HN 0.632 nan 8.310 nan 0.000 0.618 870 I N 2.510 123.127 120.570 0.079 0.000 2.611 870 I HA 0.287 4.457 4.170 0.001 0.000 0.287 870 I C -0.125 176.059 176.117 0.112 0.000 1.184 870 I CA -0.389 60.910 61.300 -0.001 0.000 1.054 870 I CB 2.421 40.287 38.000 -0.224 0.000 1.257 870 I HN 0.344 nan 8.210 nan 0.000 0.435 871 T N 4.087 118.674 114.554 0.055 0.000 2.887 871 T HA 0.434 4.784 4.350 0.001 0.000 0.288 871 T C -0.268 174.445 174.700 0.021 0.000 1.021 871 T CA -0.756 61.388 62.100 0.074 0.000 1.000 871 T CB 2.189 71.080 68.868 0.039 0.000 1.034 871 T HN 0.429 nan 8.240 nan 0.000 0.467 872 E N 0.796 121.000 120.200 0.008 0.000 2.351 872 E HA 0.616 4.967 4.350 0.001 0.000 0.255 872 E C -0.507 176.014 176.600 -0.132 0.000 1.188 872 E CA -0.657 55.706 56.400 -0.062 0.000 0.940 872 E CB 0.735 30.378 29.700 -0.094 0.000 1.094 872 E HN 0.477 nan 8.360 nan 0.000 0.474 873 T N 0.589 115.041 114.554 -0.170 0.000 3.097 873 T HA 0.242 4.592 4.350 0.001 0.000 0.332 873 T C -1.078 173.557 174.700 -0.109 0.000 1.269 873 T CA -0.708 61.299 62.100 -0.155 0.000 1.076 873 T CB 0.400 69.246 68.868 -0.038 0.000 1.209 873 T HN 0.267 nan 8.240 nan 0.000 0.474 874 F N 3.640 123.611 119.950 0.034 0.000 2.509 874 F HA 0.345 4.873 4.527 0.001 0.000 0.350 874 F C 1.234 177.051 175.800 0.029 0.000 1.220 874 F CA -0.396 57.622 58.000 0.029 0.000 1.151 874 F CB 0.266 39.279 39.000 0.022 0.000 1.379 874 F HN 0.585 nan 8.300 nan 0.000 0.610 875 E N 1.822 122.150 120.200 0.213 0.000 2.446 875 E HA 0.381 4.732 4.350 0.001 0.000 0.267 875 E C -1.395 175.283 176.600 0.130 0.000 0.955 875 E CA -1.386 55.094 56.400 0.134 0.000 0.842 875 E CB 1.695 31.444 29.700 0.082 0.000 1.504 875 E HN 0.247 nan 8.360 nan 0.000 0.438 876 K N 1.887 122.343 120.400 0.094 0.000 2.419 876 K HA 0.337 4.657 4.320 0.001 0.000 0.244 876 K C -2.254 174.364 176.600 0.029 0.000 1.045 876 K CA -1.838 54.511 56.287 0.104 0.000 1.004 876 K CB 0.859 33.412 32.500 0.089 0.000 1.376 876 K HN 0.378 nan 8.250 nan 0.000 0.460 877 P HA 0.210 nan 4.420 nan 0.000 0.293 877 P C -1.604 175.571 177.300 -0.208 0.000 1.304 877 P CA -0.443 62.598 63.100 -0.099 0.000 0.767 877 P CB 0.873 32.519 31.700 -0.090 0.000 1.247 878 Q N -1.369 118.323 119.800 -0.180 0.000 2.613 878 Q HA 0.356 4.697 4.340 0.001 0.000 0.231 878 Q C -0.251 175.673 176.000 -0.127 0.000 0.879 878 Q CA -0.851 54.838 55.803 -0.189 0.000 1.083 878 Q CB 0.924 29.578 28.738 -0.140 0.000 1.588 878 Q HN 0.253 nan 8.270 nan 0.000 0.500 879 R N 0.570 120.992 120.500 -0.130 0.000 3.603 879 R HA -0.210 4.131 4.340 0.001 0.000 0.560 879 R C -0.369 175.889 176.300 -0.071 0.000 0.241 879 R CA 1.652 57.699 56.100 -0.089 0.000 1.735 879 R CB -2.234 28.025 30.300 -0.069 0.000 0.912 879 R HN 1.488 nan 8.270 nan 0.000 0.603 880 T N 1.066 115.588 114.554 -0.053 0.000 3.784 880 T HA -0.142 4.208 4.350 0.001 0.000 0.389 880 T C 0.515 175.193 174.700 -0.038 0.000 0.762 880 T CA 1.007 63.083 62.100 -0.042 0.000 2.079 880 T CB -0.975 67.868 68.868 -0.042 0.000 1.764 880 T HN 0.635 nan 8.240 nan 0.000 0.812 881 N N -1.083 117.596 118.700 -0.034 0.000 3.477 881 N HA -0.230 4.510 4.740 0.001 0.000 0.231 881 N C 1.443 176.934 175.510 -0.031 0.000 0.193 881 N CA 1.986 55.018 53.050 -0.030 0.000 3.689 881 N CB -1.788 36.683 38.487 -0.027 0.000 1.177 881 N HN 0.512 nan 8.380 nan 0.000 0.240 882 T N 2.511 117.045 114.554 -0.033 0.000 2.592 882 T HA -0.083 4.268 4.350 0.001 0.000 0.267 882 T C 1.633 176.312 174.700 -0.036 0.000 1.060 882 T CA 2.763 64.844 62.100 -0.032 0.000 1.167 882 T CB -0.203 68.646 68.868 -0.032 0.000 0.863 882 T HN 0.489 nan 8.240 nan 0.000 0.431 883 L N -2.421 118.773 121.223 -0.048 0.000 3.803 883 L HA -0.174 4.167 4.340 0.001 0.000 0.407 883 L C 0.504 177.337 176.870 -0.062 0.000 0.735 883 L CA 0.505 55.311 54.840 -0.057 0.000 2.621 883 L CB -1.173 40.860 42.059 -0.044 0.000 1.075 883 L HN 0.190 nan 8.230 nan 0.000 0.644 884 R N 1.664 122.137 120.500 -0.046 0.000 2.606 884 R HA 0.291 4.631 4.340 0.001 0.000 0.276 884 R C 0.303 176.582 176.300 -0.035 0.000 1.416 884 R CA 0.536 56.614 56.100 -0.037 0.000 1.064 884 R CB 0.063 30.353 30.300 -0.018 0.000 1.117 884 R HN 0.409 nan 8.270 nan 0.000 0.543 885 M N 0.781 120.348 119.600 -0.055 0.000 2.329 885 M HA 0.428 4.909 4.480 0.001 0.000 0.224 885 M C 0.103 176.417 176.300 0.023 0.000 0.781 885 M CA -0.616 54.672 55.300 -0.020 0.000 1.750 885 M CB 0.652 33.182 32.600 -0.117 0.000 1.181 885 M HN 0.013 nan 8.290 nan 0.000 0.876 886 K N -0.253 120.218 120.400 0.117 0.000 2.409 886 K HA 0.369 4.689 4.320 0.001 0.000 0.252 886 K C 0.559 177.170 176.600 0.018 0.000 1.036 886 K CA -0.590 55.746 56.287 0.082 0.000 0.871 886 K CB 0.867 33.455 32.500 0.148 0.000 1.374 886 K HN 0.534 nan 8.250 nan 0.000 0.459 887 H N -0.036 119.094 119.070 0.100 0.000 2.448 887 H HA 0.056 4.612 4.556 0.001 0.000 0.292 887 H C 1.037 176.411 175.328 0.077 0.000 1.035 887 H CA 0.832 56.925 56.048 0.076 0.000 1.349 887 H CB 0.360 30.146 29.762 0.039 0.000 1.425 887 H HN 0.701 nan 8.280 nan 0.000 0.539 888 G N 0.506 109.396 108.800 0.151 0.000 2.744 888 G HA2 -0.018 3.943 3.960 0.001 0.000 0.257 888 G HA3 -0.018 3.943 3.960 0.001 0.000 0.257 888 G C -0.238 174.718 174.900 0.093 0.000 1.244 888 G CA -0.216 44.920 45.100 0.059 0.000 0.916 888 G HN 0.157 nan 8.290 nan 0.000 0.564 889 T N 0.902 115.477 114.554 0.034 0.000 2.747 889 T HA 0.204 4.555 4.350 0.001 0.000 0.301 889 T C 0.576 175.307 174.700 0.051 0.000 0.952 889 T CA -0.078 62.068 62.100 0.076 0.000 0.983 889 T CB 0.501 69.391 68.868 0.036 0.000 0.930 889 T HN 0.390 nan 8.240 nan 0.000 0.494 890 Y N 1.597 121.888 120.300 -0.016 0.000 2.421 890 Y HA -0.106 4.444 4.550 0.001 0.000 0.292 890 Y C 2.227 178.114 175.900 -0.021 0.000 1.136 890 Y CA 0.587 58.674 58.100 -0.020 0.000 1.255 890 Y CB -0.224 38.226 38.460 -0.016 0.000 0.991 890 Y HN 0.634 nan 8.280 nan 0.000 0.552 891 D N 0.278 120.755 120.400 0.128 0.000 2.381 891 D HA -0.220 4.420 4.640 0.001 0.000 0.212 891 D C 1.394 177.709 176.300 0.025 0.000 0.988 891 D CA 1.267 55.305 54.000 0.063 0.000 0.942 891 D CB -0.094 40.732 40.800 0.043 0.000 0.882 891 D HN 0.463 nan 8.370 nan 0.000 0.480 892 K N -0.250 120.149 120.400 -0.001 0.000 2.379 892 K HA 0.137 4.457 4.320 0.001 0.000 0.194 892 K C 0.777 177.358 176.600 -0.032 0.000 1.031 892 K CA -0.126 56.144 56.287 -0.028 0.000 1.037 892 K CB 0.590 33.055 32.500 -0.058 0.000 0.824 892 K HN 0.075 nan 8.250 nan 0.000 0.516 893 L N 1.860 123.075 121.223 -0.014 0.000 2.380 893 L HA 0.035 4.375 4.340 0.001 0.000 0.273 893 L C 0.373 177.247 176.870 0.006 0.000 1.138 893 L CA -0.318 54.516 54.840 -0.010 0.000 0.832 893 L CB 0.755 42.831 42.059 0.029 0.000 1.124 893 L HN 0.051 nan 8.230 nan 0.000 0.454 894 D N 0.944 121.339 120.400 -0.009 0.000 2.233 894 D HA 0.005 4.645 4.640 0.001 0.000 0.281 894 D C 0.500 176.808 176.300 0.014 0.000 1.175 894 D CA 0.161 54.160 54.000 -0.002 0.000 1.034 894 D CB 0.438 41.231 40.800 -0.013 0.000 1.133 894 D HN 0.511 nan 8.370 nan 0.000 0.519 895 D N -1.597 118.812 120.400 0.014 0.000 2.388 895 D HA 0.022 4.662 4.640 0.001 0.000 0.208 895 D C 0.554 176.876 176.300 0.037 0.000 1.035 895 D CA 0.187 54.203 54.000 0.028 0.000 0.875 895 D CB 0.100 40.915 40.800 0.024 0.000 0.984 895 D HN 0.310 nan 8.370 nan 0.000 0.508 896 D N -0.090 120.322 120.400 0.021 0.000 2.378 896 D HA 0.079 4.720 4.640 0.001 0.000 0.227 896 D C 1.344 177.656 176.300 0.020 0.000 1.012 896 D CA 0.510 54.526 54.000 0.026 0.000 0.905 896 D CB -0.397 40.401 40.800 -0.004 0.000 0.895 896 D HN 0.118 nan 8.370 nan 0.000 0.532 897 G N -0.153 108.658 108.800 0.018 0.000 2.248 897 G HA2 -0.187 3.773 3.960 0.001 0.000 0.263 897 G HA3 -0.187 3.773 3.960 0.001 0.000 0.263 897 G C -0.328 174.516 174.900 -0.092 0.000 1.082 897 G CA 0.236 45.346 45.100 0.018 0.000 0.863 897 G HN 0.413 nan 8.290 nan 0.000 0.495 898 L N -1.040 120.122 121.223 -0.101 0.000 2.466 898 L HA 0.597 4.938 4.340 0.001 0.000 0.258 898 L C 0.622 177.431 176.870 -0.102 0.000 0.973 898 L CA -1.393 53.360 54.840 -0.145 0.000 0.826 898 L CB 1.801 43.750 42.059 -0.184 0.000 1.372 898 L HN 0.052 nan 8.230 nan 0.000 0.409 899 I N 1.316 121.819 120.570 -0.113 0.000 2.823 899 I HA 0.429 4.599 4.170 0.001 0.000 0.290 899 I C 0.628 176.701 176.117 -0.074 0.000 1.091 899 I CA -0.195 61.051 61.300 -0.090 0.000 1.365 899 I CB 1.164 39.101 38.000 -0.104 0.000 1.427 899 I HN 0.667 nan 8.210 nan 0.000 0.583 900 A N 5.346 128.132 122.820 -0.056 0.000 2.306 900 A HA 0.489 4.809 4.320 0.001 0.000 0.314 900 A C -1.718 175.840 177.584 -0.043 0.000 1.164 900 A CA -1.595 50.415 52.037 -0.045 0.000 0.822 900 A CB 0.467 19.447 19.000 -0.033 0.000 1.130 900 A HN 0.541 nan 8.150 nan 0.000 0.496 901 P HA -0.259 nan 4.420 nan 0.000 0.221 901 P C 1.632 178.914 177.300 -0.031 0.000 1.153 901 P CA 2.332 65.413 63.100 -0.030 0.000 0.858 901 P CB 0.216 31.905 31.700 -0.018 0.000 0.783 902 G N -0.726 108.058 108.800 -0.028 0.000 2.404 902 G HA2 -0.156 3.804 3.960 0.001 0.000 0.215 902 G HA3 -0.156 3.804 3.960 0.001 0.000 0.215 902 G C 0.335 175.216 174.900 -0.031 0.000 1.174 902 G CA 0.154 45.239 45.100 -0.025 0.000 0.780 902 G HN 0.168 nan 8.290 nan 0.000 0.537 903 V N 0.579 120.471 119.914 -0.036 0.000 2.832 903 V HA -0.068 4.053 4.120 0.001 0.000 0.299 903 V C 0.898 176.964 176.094 -0.046 0.000 1.201 903 V CA 0.562 62.837 62.300 -0.041 0.000 1.325 903 V CB 0.310 32.103 31.823 -0.050 0.000 0.871 903 V HN 0.419 nan 8.190 nan 0.000 0.509 904 R N 3.820 124.295 120.500 -0.041 0.000 2.280 904 R HA 0.496 4.836 4.340 0.001 0.000 0.326 904 R C -0.526 175.746 176.300 -0.047 0.000 1.080 904 R CA -0.470 55.605 56.100 -0.041 0.000 1.002 904 R CB 0.940 31.222 30.300 -0.030 0.000 1.136 904 R HN 0.757 nan 8.270 nan 0.000 0.509 905 V N 1.488 121.366 119.914 -0.060 0.000 2.743 905 V HA 0.663 4.783 4.120 0.001 0.000 0.301 905 V C 0.353 176.415 176.094 -0.055 0.000 1.057 905 V CA -0.007 62.251 62.300 -0.070 0.000 1.006 905 V CB 1.618 33.380 31.823 -0.102 0.000 1.024 905 V HN 0.863 nan 8.190 nan 0.000 0.473 906 S N 2.465 118.134 115.700 -0.051 0.000 3.881 906 S HA 0.571 5.042 4.470 0.001 0.000 0.189 906 S C 1.524 176.107 174.600 -0.027 0.000 1.135 906 S CA 0.236 58.417 58.200 -0.032 0.000 1.435 906 S CB 0.141 63.328 63.200 -0.022 0.000 1.506 906 S HN 1.513 nan 8.310 nan 0.000 0.814 907 G N 1.325 110.113 108.800 -0.020 0.000 3.029 907 G HA2 -0.176 3.784 3.960 0.001 0.000 0.206 907 G HA3 -0.176 3.784 3.960 0.001 0.000 0.206 907 G C 0.565 175.452 174.900 -0.020 0.000 1.295 907 G CA 1.378 46.469 45.100 -0.014 0.000 0.767 907 G HN 0.763 nan 8.290 nan 0.000 0.832 908 E N 0.840 121.024 120.200 -0.027 0.000 2.603 908 E HA 0.157 4.507 4.350 0.001 0.000 0.211 908 E C -0.662 175.889 176.600 -0.082 0.000 0.995 908 E CA -0.252 56.126 56.400 -0.037 0.000 0.990 908 E CB 0.344 30.041 29.700 -0.005 0.000 1.036 908 E HN 0.526 nan 8.360 nan 0.000 0.475 909 D N 0.888 121.232 120.400 -0.094 0.000 2.515 909 D HA -0.079 4.561 4.640 0.001 0.000 0.230 909 D C 0.141 176.306 176.300 -0.225 0.000 1.181 909 D CA 0.337 54.253 54.000 -0.140 0.000 0.875 909 D CB 0.682 41.413 40.800 -0.116 0.000 1.213 909 D HN -0.199 nan 8.370 nan 0.000 0.478 910 V N 1.399 121.118 119.914 -0.324 0.000 2.834 910 V HA 0.190 4.310 4.120 0.001 0.000 0.301 910 V C 1.218 177.122 176.094 -0.316 0.000 1.066 910 V CA -0.219 61.841 62.300 -0.400 0.000 1.052 910 V CB 1.273 32.678 31.823 -0.695 0.000 1.021 910 V HN 0.527 nan 8.190 nan 0.000 0.480 911 I N 2.661 123.041 120.570 -0.318 0.000 4.439 911 I HA 0.395 4.565 4.170 0.001 0.000 0.331 911 I C -0.169 175.807 176.117 -0.235 0.000 1.345 911 I CA 0.570 61.693 61.300 -0.295 0.000 1.193 911 I CB 0.573 38.311 38.000 -0.437 0.000 1.221 911 I HN 0.369 nan 8.210 nan 0.000 0.429 912 I N 0.858 121.311 120.570 -0.196 0.000 2.667 912 I HA 0.285 4.455 4.170 0.001 0.000 0.288 912 I C -0.319 175.799 176.117 0.001 0.000 1.267 912 I CA -0.499 60.730 61.300 -0.120 0.000 1.055 912 I CB 2.102 40.042 38.000 -0.099 0.000 1.294 912 I HN -0.053 nan 8.210 nan 0.000 0.429 913 G N 5.512 114.362 108.800 0.083 0.000 2.329 913 G HA2 0.547 4.508 3.960 0.001 0.000 0.309 913 G HA3 0.547 4.508 3.960 0.001 0.000 0.309 913 G C -0.895 174.206 174.900 0.334 0.000 1.110 913 G CA -0.268 44.957 45.100 0.208 0.000 0.923 913 G HN 0.550 nan 8.290 nan 0.000 0.430 914 K N 1.126 121.684 120.400 0.264 0.000 2.477 914 K HA 0.753 5.073 4.320 0.001 0.000 0.255 914 K C -0.698 175.953 176.600 0.083 0.000 0.952 914 K CA -0.642 55.751 56.287 0.177 0.000 0.826 914 K CB 2.143 34.733 32.500 0.150 0.000 1.331 914 K HN 0.578 nan 8.250 nan 0.000 0.437 915 T N -1.114 113.446 114.554 0.009 0.000 2.883 915 T HA 0.510 4.860 4.350 0.001 0.000 0.301 915 T C -0.956 173.732 174.700 -0.019 0.000 1.158 915 T CA -0.763 61.340 62.100 0.005 0.000 1.007 915 T CB 1.800 70.671 68.868 0.005 0.000 1.186 915 T HN 0.377 nan 8.240 nan 0.000 0.499 916 T N 3.569 118.115 114.554 -0.012 0.000 2.937 916 T HA 0.584 4.934 4.350 0.001 0.000 0.297 916 T C -2.939 171.738 174.700 -0.038 0.000 0.991 916 T CA -1.027 61.061 62.100 -0.020 0.000 0.990 916 T CB 1.884 70.753 68.868 0.002 0.000 0.991 916 T HN 0.585 nan 8.240 nan 0.000 0.440 917 P HA 0.606 nan 4.420 nan 0.000 0.286 917 P C -1.010 176.235 177.300 -0.092 0.000 1.269 917 P CA -0.501 62.560 63.100 -0.065 0.000 0.787 917 P CB 1.162 32.824 31.700 -0.064 0.000 0.920 918 I N 2.012 122.538 120.570 -0.073 0.000 2.571 918 I HA 0.243 4.413 4.170 0.001 0.000 0.289 918 I C 0.260 176.343 176.117 -0.057 0.000 1.115 918 I CA -0.384 60.870 61.300 -0.078 0.000 1.045 918 I CB 2.434 40.397 38.000 -0.063 0.000 1.238 918 I HN 0.422 nan 8.210 nan 0.000 0.424 934 K N 2.674 123.054 120.400 -0.033 0.000 2.473 934 K HA 0.452 4.772 4.320 0.001 0.000 0.246 934 K C -0.914 175.668 176.600 -0.030 0.000 1.011 934 K CA -0.383 55.885 56.287 -0.032 0.000 0.984 934 K CB 1.185 33.661 32.500 -0.040 0.000 1.250 934 K HN 0.288 nan 8.250 nan 0.000 0.454 935 R N 2.055 122.543 120.500 -0.020 0.000 2.255 935 R HA 0.184 4.524 4.340 0.001 0.000 0.326 935 R C -0.286 176.017 176.300 0.005 0.000 0.986 935 R CA -0.885 55.209 56.100 -0.010 0.000 0.847 935 R CB 1.121 31.416 30.300 -0.008 0.000 1.111 935 R HN 0.507 nan 8.270 nan 0.000 0.452 936 D N 2.235 122.645 120.400 0.016 0.000 2.378 936 D HA 0.072 4.712 4.640 0.001 0.000 0.238 936 D C -0.059 176.276 176.300 0.058 0.000 1.180 936 D CA 0.305 54.336 54.000 0.052 0.000 0.895 936 D CB 1.139 41.990 40.800 0.084 0.000 1.192 936 D HN 0.670 nan 8.370 nan 0.000 0.438 937 A N 1.762 124.630 122.820 0.079 0.000 2.554 937 A HA 0.172 4.492 4.320 0.001 0.000 0.266 937 A C 0.200 177.841 177.584 0.095 0.000 0.938 937 A CA -0.365 51.715 52.037 0.073 0.000 1.045 937 A CB 0.093 19.125 19.000 0.053 0.000 1.198 937 A HN 0.332 nan 8.150 nan 0.000 0.528 938 S N 1.671 117.438 115.700 0.112 0.000 2.562 938 S HA 0.398 4.868 4.470 0.001 0.000 0.281 938 S C 0.356 174.972 174.600 0.026 0.000 1.333 938 S CA 0.379 58.633 58.200 0.090 0.000 1.052 938 S CB 0.614 63.879 63.200 0.108 0.000 0.884 938 S HN 0.478 nan 8.310 nan 0.000 0.506 939 T N 5.205 119.749 114.554 -0.018 0.000 2.767 939 T HA 0.510 4.861 4.350 0.001 0.000 0.284 939 T C -2.565 172.035 174.700 -0.167 0.000 0.973 939 T CA -1.366 60.705 62.100 -0.049 0.000 0.996 939 T CB 1.313 70.171 68.868 -0.017 0.000 0.927 939 T HN 0.381 nan 8.240 nan 0.000 0.456 940 P HA 0.424 nan 4.420 nan 0.000 0.296 940 P C -0.422 176.748 177.300 -0.216 0.000 1.310 940 P CA -0.969 62.016 63.100 -0.192 0.000 0.900 940 P CB 1.348 32.986 31.700 -0.103 0.000 1.111 941 L N 3.016 124.071 121.223 -0.280 0.000 2.529 941 L HA 0.036 4.377 4.340 0.001 0.000 0.287 941 L C 0.958 177.851 176.870 0.038 0.000 1.241 941 L CA 0.455 55.163 54.840 -0.220 0.000 0.857 941 L CB -0.206 41.760 42.059 -0.155 0.000 1.113 941 L HN 0.323 nan 8.230 nan 0.000 0.504 942 R N 2.982 123.621 120.500 0.232 0.000 2.507 942 R HA -0.045 4.296 4.340 0.001 0.000 0.341 942 R C 1.662 178.011 176.300 0.081 0.000 0.960 942 R CA 0.690 56.886 56.100 0.161 0.000 1.032 942 R CB 0.057 30.453 30.300 0.160 0.000 0.933 942 R HN 1.042 nan 8.270 nan 0.000 0.418 943 S N 1.894 117.623 115.700 0.048 0.000 2.565 943 S HA -0.367 4.103 4.470 0.001 0.000 0.310 943 S C 1.808 176.423 174.600 0.026 0.000 1.244 943 S CA 2.566 60.781 58.200 0.026 0.000 1.170 943 S CB -0.874 62.336 63.200 0.017 0.000 1.179 943 S HN 0.774 nan 8.310 nan 0.000 0.441 944 T N -0.432 114.141 114.554 0.032 0.000 2.814 944 T HA 0.195 4.545 4.350 0.001 0.000 0.254 944 T C 0.928 175.654 174.700 0.043 0.000 1.037 944 T CA 0.537 62.656 62.100 0.031 0.000 1.143 944 T CB -0.762 68.122 68.868 0.027 0.000 0.866 944 T HN 0.646 nan 8.240 nan 0.000 0.431 945 E N 2.717 122.958 120.200 0.068 0.000 2.492 945 E HA 0.186 4.537 4.350 0.001 0.000 0.266 945 E C 0.071 176.704 176.600 0.056 0.000 1.187 945 E CA 0.519 56.972 56.400 0.089 0.000 1.036 945 E CB 0.141 29.923 29.700 0.137 0.000 0.994 945 E HN 0.722 nan 8.360 nan 0.000 0.468 946 N N -0.793 117.936 118.700 0.050 0.000 3.322 946 N HA 0.492 5.232 4.740 0.001 0.000 0.233 946 N C -0.492 175.019 175.510 0.002 0.000 1.399 946 N CA -0.090 52.969 53.050 0.015 0.000 0.894 946 N CB 1.164 39.658 38.487 0.010 0.000 1.440 946 N HN 0.613 nan 8.380 nan 0.000 0.503 947 G N -0.281 108.505 108.800 -0.023 0.000 2.513 947 G HA2 0.299 4.259 3.960 0.001 0.000 0.182 947 G HA3 0.299 4.259 3.960 0.001 0.000 0.182 947 G C -1.918 172.948 174.900 -0.057 0.000 1.190 947 G CA -0.479 44.596 45.100 -0.043 0.000 0.987 947 G HN 0.649 nan 8.290 nan 0.000 0.479 948 I N 0.849 121.370 120.570 -0.082 0.000 2.582 948 I HA 0.466 4.636 4.170 0.001 0.000 0.292 948 I C 0.590 176.651 176.117 -0.093 0.000 1.066 948 I CA -1.136 60.118 61.300 -0.077 0.000 1.053 948 I CB 2.080 40.040 38.000 -0.068 0.000 1.241 948 I HN 0.356 nan 8.210 nan 0.000 0.421 949 V N 3.801 123.669 119.914 -0.077 0.000 3.332 949 V HA -0.093 4.027 4.120 0.001 0.000 0.305 949 V C 0.535 176.590 176.094 -0.066 0.000 1.114 949 V CA 0.920 63.177 62.300 -0.072 0.000 1.194 949 V CB 0.861 32.644 31.823 -0.066 0.000 1.027 949 V HN 1.009 nan 8.190 nan 0.000 0.492 950 D N -0.621 119.752 120.400 -0.045 0.000 2.267 950 D HA 0.153 4.793 4.640 0.001 0.000 0.297 950 D C 0.142 176.457 176.300 0.025 0.000 1.087 950 D CA 0.067 54.056 54.000 -0.018 0.000 0.864 950 D CB 0.610 41.386 40.800 -0.040 0.000 1.557 950 D HN 0.585 nan 8.370 nan 0.000 0.523 951 Q N 0.834 120.644 119.800 0.016 0.000 2.857 951 Q HA 0.239 4.580 4.340 0.001 0.000 0.214 951 Q C -2.108 173.892 176.000 -0.001 0.000 0.912 951 Q CA -0.399 55.415 55.803 0.018 0.000 1.183 951 Q CB 1.048 29.817 28.738 0.051 0.000 1.689 951 Q HN -0.027 nan 8.270 nan 0.000 0.565 952 V N 4.281 124.180 119.914 -0.025 0.000 2.834 952 V HA 0.747 4.867 4.120 0.001 0.000 0.313 952 V C -0.163 175.905 176.094 -0.044 0.000 1.060 952 V CA -0.697 61.572 62.300 -0.052 0.000 0.989 952 V CB 1.824 33.600 31.823 -0.078 0.000 1.041 952 V HN 0.711 nan 8.190 nan 0.000 0.459 953 L N 1.710 122.895 121.223 -0.063 0.000 2.614 953 L HA 0.744 5.084 4.340 0.001 0.000 0.264 953 L C -1.544 175.299 176.870 -0.045 0.000 0.940 953 L CA -0.580 54.240 54.840 -0.033 0.000 0.903 953 L CB 2.001 44.062 42.059 0.003 0.000 1.306 953 L HN 0.355 nan 8.230 nan 0.000 0.410 954 V N 3.002 122.905 119.914 -0.017 0.000 2.407 954 V HA 0.732 4.853 4.120 0.001 0.000 0.278 954 V C 0.348 176.492 176.094 0.083 0.000 1.037 954 V CA 0.158 62.462 62.300 0.006 0.000 0.900 954 V CB 1.273 33.096 31.823 0.001 0.000 0.983 954 V HN 0.997 nan 8.190 nan 0.000 0.459 955 T N 2.344 116.994 114.554 0.159 0.000 2.778 955 T HA 0.531 4.882 4.350 0.001 0.000 0.293 955 T C -0.393 174.449 174.700 0.236 0.000 1.144 955 T CA -0.604 61.621 62.100 0.209 0.000 1.010 955 T CB 2.118 71.161 68.868 0.292 0.000 1.325 955 T HN 0.582 nan 8.240 nan 0.000 0.515 956 T N 2.111 116.771 114.554 0.177 0.000 2.912 956 T HA 0.639 4.989 4.350 0.001 0.000 0.288 956 T C -0.668 174.071 174.700 0.066 0.000 1.030 956 T CA -0.721 61.461 62.100 0.135 0.000 1.020 956 T CB 1.226 70.149 68.868 0.092 0.000 1.056 956 T HN 0.573 nan 8.240 nan 0.000 0.480 957 N N 1.051 119.771 118.700 0.033 0.000 2.399 957 N HA 0.235 4.976 4.740 0.001 0.000 0.280 957 N C 1.114 176.597 175.510 -0.045 0.000 1.008 957 N CA -0.394 52.615 53.050 -0.069 0.000 0.894 957 N CB 0.946 39.364 38.487 -0.115 0.000 1.273 957 N HN 0.656 nan 8.380 nan 0.000 0.486 958 Q N 1.281 121.042 119.800 -0.065 0.000 2.483 958 Q HA -0.368 3.973 4.340 0.001 0.000 0.229 958 Q C 0.031 176.014 176.000 -0.029 0.000 1.113 958 Q CA 2.744 58.516 55.803 -0.052 0.000 1.004 958 Q CB -0.544 28.164 28.738 -0.051 0.000 1.033 958 Q HN 0.765 nan 8.270 nan 0.000 0.534 959 D N -1.045 119.342 120.400 -0.021 0.000 2.392 959 D HA 0.002 4.642 4.640 0.001 0.000 0.228 959 D C 1.120 177.423 176.300 0.006 0.000 1.003 959 D CA 1.209 55.204 54.000 -0.007 0.000 0.917 959 D CB 0.031 40.825 40.800 -0.009 0.000 0.890 959 D HN 0.651 nan 8.370 nan 0.000 0.532 960 G N 0.804 109.612 108.800 0.012 0.000 2.132 960 G HA2 -0.265 3.696 3.960 0.001 0.000 0.234 960 G HA3 -0.265 3.696 3.960 0.001 0.000 0.234 960 G C 0.176 175.106 174.900 0.051 0.000 0.989 960 G CA -0.158 44.960 45.100 0.030 0.000 0.676 960 G HN 0.298 nan 8.290 nan 0.000 0.522 961 L N -0.140 121.119 121.223 0.060 0.000 2.357 961 L HA 0.479 4.820 4.340 0.001 0.000 0.273 961 L C 0.925 177.890 176.870 0.158 0.000 1.080 961 L CA -0.816 54.077 54.840 0.088 0.000 0.803 961 L CB 0.926 43.032 42.059 0.079 0.000 1.174 961 L HN -0.045 nan 8.230 nan 0.000 0.443 962 K N 2.540 123.051 120.400 0.185 0.000 2.363 962 K HA 0.174 4.494 4.320 0.001 0.000 0.289 962 K C -0.900 175.959 176.600 0.432 0.000 1.063 962 K CA -0.014 56.451 56.287 0.296 0.000 0.967 962 K CB 0.297 33.010 32.500 0.355 0.000 0.987 962 K HN 0.281 nan 8.250 nan 0.000 0.473 963 F N 4.222 124.288 119.950 0.193 0.000 2.415 963 F HA 0.344 4.871 4.527 0.001 0.000 0.348 963 F C -0.714 175.158 175.800 0.121 0.000 1.119 963 F CA -0.727 57.373 58.000 0.167 0.000 1.069 963 F CB 0.894 39.955 39.000 0.103 0.000 1.124 963 F HN 0.079 nan 8.300 nan 0.000 0.472 964 V N 6.366 126.021 119.914 -0.431 0.000 2.686 964 V HA 0.432 4.553 4.120 0.001 0.000 0.306 964 V C -0.946 174.839 176.094 -0.515 0.000 1.065 964 V CA -1.017 61.021 62.300 -0.437 0.000 0.894 964 V CB 2.299 33.848 31.823 -0.457 0.000 1.004 964 V HN 0.665 nan 8.190 nan 0.000 0.424 965 K N 3.345 123.525 120.400 -0.366 0.000 2.345 965 K HA 0.810 5.130 4.320 0.001 0.000 0.255 965 K C -1.488 175.040 176.600 -0.119 0.000 0.934 965 K CA -0.680 55.468 56.287 -0.232 0.000 0.801 965 K CB 2.616 35.015 32.500 -0.168 0.000 1.137 965 K HN 0.420 nan 8.250 nan 0.000 0.424 966 V N 2.595 122.476 119.914 -0.055 0.000 2.604 966 V HA 0.490 4.610 4.120 0.001 0.000 0.305 966 V C -0.441 175.691 176.094 0.064 0.000 1.043 966 V CA -0.956 61.332 62.300 -0.020 0.000 0.888 966 V CB 1.787 33.577 31.823 -0.056 0.000 0.995 966 V HN 0.697 nan 8.190 nan 0.000 0.429 967 R N 2.730 123.258 120.500 0.046 0.000 2.480 967 R HA 0.776 5.116 4.340 0.001 0.000 0.306 967 R C -1.808 174.500 176.300 0.013 0.000 0.958 967 R CA -0.370 55.767 56.100 0.061 0.000 0.861 967 R CB 2.036 32.397 30.300 0.100 0.000 1.171 967 R HN 0.562 nan 8.270 nan 0.000 0.445 968 V N 4.567 124.465 119.914 -0.026 0.000 2.547 968 V HA 0.533 4.653 4.120 0.001 0.000 0.299 968 V C -0.069 175.836 176.094 -0.316 0.000 1.040 968 V CA -0.750 61.480 62.300 -0.117 0.000 0.913 968 V CB 1.708 33.503 31.823 -0.047 0.000 0.992 968 V HN 0.683 nan 8.190 nan 0.000 0.449 969 R N 2.247 122.523 120.500 -0.372 0.000 2.637 969 R HA 0.750 5.090 4.340 0.001 0.000 0.291 969 R C -1.246 174.844 176.300 -0.351 0.000 0.963 969 R CA -0.190 55.535 56.100 -0.625 0.000 0.901 969 R CB 2.110 31.939 30.300 -0.786 0.000 1.160 969 R HN 0.838 nan 8.270 nan 0.000 0.457 970 T N 1.328 115.709 114.554 -0.290 0.000 2.900 970 T HA 0.322 4.672 4.350 0.001 0.000 0.303 970 T C -0.910 173.803 174.700 0.022 0.000 1.142 970 T CA -0.519 61.540 62.100 -0.069 0.000 1.007 970 T CB 1.972 70.873 68.868 0.055 0.000 1.156 970 T HN 0.439 nan 8.240 nan 0.000 0.490 971 T N 2.662 117.240 114.554 0.040 0.000 2.824 971 T HA 0.508 4.858 4.350 0.001 0.000 0.280 971 T C -0.494 174.202 174.700 -0.007 0.000 0.995 971 T CA -0.693 61.431 62.100 0.039 0.000 1.009 971 T CB 0.726 69.625 68.868 0.050 0.000 0.955 971 T HN 0.339 nan 8.240 nan 0.000 0.452 972 K N 3.126 123.496 120.400 -0.050 0.000 2.323 972 K HA 0.542 4.863 4.320 0.001 0.000 0.259 972 K C -0.671 175.864 176.600 -0.107 0.000 0.947 972 K CA -0.598 55.655 56.287 -0.057 0.000 0.819 972 K CB 1.888 34.356 32.500 -0.053 0.000 1.109 972 K HN 0.492 nan 8.250 nan 0.000 0.429 973 I N 4.940 125.460 120.570 -0.084 0.000 2.392 973 I HA 0.234 4.404 4.170 0.001 0.000 0.295 973 I C -1.874 174.224 176.117 -0.032 0.000 0.985 973 I CA -2.505 58.749 61.300 -0.076 0.000 1.221 973 I CB 1.515 39.477 38.000 -0.064 0.000 1.366 973 I HN 0.356 nan 8.210 nan 0.000 0.467 974 P HA -0.031 nan 4.420 nan 0.000 0.260 974 P C -0.825 176.493 177.300 0.029 0.000 1.185 974 P CA 0.454 63.600 63.100 0.076 0.000 0.763 974 P CB 1.056 32.896 31.700 0.234 0.000 0.776 975 Q N 2.536 122.326 119.800 -0.017 0.000 3.018 975 Q HA 0.385 4.726 4.340 0.001 0.000 0.209 975 Q C 1.258 177.240 176.000 -0.032 0.000 1.036 975 Q CA -0.815 54.971 55.803 -0.029 0.000 0.886 975 Q CB 0.974 29.683 28.738 -0.048 0.000 2.058 975 Q HN 0.263 nan 8.270 nan 0.000 0.452 976 I N -0.353 120.193 120.570 -0.040 0.000 2.867 976 I HA 0.061 4.231 4.170 0.001 0.000 0.265 976 I C 1.643 177.729 176.117 -0.053 0.000 1.162 976 I CA 0.839 62.118 61.300 -0.035 0.000 1.471 976 I CB 0.070 38.054 38.000 -0.026 0.000 1.123 976 I HN 0.761 nan 8.210 nan 0.000 0.440 977 G N 0.125 108.882 108.800 -0.071 0.000 2.712 977 G HA2 -0.070 3.890 3.960 0.001 0.000 0.212 977 G HA3 -0.070 3.890 3.960 0.001 0.000 0.212 977 G C 0.214 175.030 174.900 -0.139 0.000 1.142 977 G CA -0.097 44.951 45.100 -0.087 0.000 0.789 977 G HN 0.233 nan 8.290 nan 0.000 0.535 978 D N 0.166 120.456 120.400 -0.184 0.000 2.406 978 D HA 0.271 4.912 4.640 0.001 0.000 0.234 978 D C 0.456 176.491 176.300 -0.441 0.000 1.196 978 D CA 0.589 54.393 54.000 -0.326 0.000 0.881 978 D CB 0.920 41.486 40.800 -0.389 0.000 1.205 978 D HN 0.124 nan 8.370 nan 0.000 0.453 979 K N 0.606 120.668 120.400 -0.563 0.000 2.156 979 K HA 0.656 4.976 4.320 0.001 0.000 0.250 979 K C -1.274 174.819 176.600 -0.845 0.000 0.955 979 K CA -0.580 55.417 56.287 -0.483 0.000 0.855 979 K CB 0.883 33.242 32.500 -0.235 0.000 1.101 979 K HN 0.374 nan 8.250 nan 0.000 0.434 980 F N 0.284 120.165 119.950 -0.115 0.000 2.678 980 F HA 0.614 5.142 4.527 0.001 0.000 0.308 980 F C -0.898 174.915 175.800 0.022 0.000 1.118 980 F CA -0.899 57.019 58.000 -0.136 0.000 0.959 980 F CB 2.536 41.346 39.000 -0.315 0.000 1.305 980 F HN 0.623 nan 8.300 nan 0.000 0.443 981 A N 1.056 124.119 122.820 0.405 0.000 2.594 981 A HA 0.670 4.990 4.320 0.001 0.000 0.296 981 A C -0.653 177.166 177.584 0.392 0.000 1.061 981 A CA -0.308 51.976 52.037 0.411 0.000 0.689 981 A CB 1.322 20.451 19.000 0.215 0.000 1.280 981 A HN 0.893 nan 8.150 nan 0.000 0.406 982 S N 1.001 116.818 115.700 0.195 0.000 2.477 982 S HA 0.440 4.911 4.470 0.001 0.000 0.261 982 S C 0.530 175.122 174.600 -0.013 0.000 1.197 982 S CA -0.156 57.890 58.200 -0.256 0.000 1.015 982 S CB 0.235 63.263 63.200 -0.288 0.000 1.077 982 S HN 0.647 nan 8.310 nan 0.000 0.505 983 R N 0.374 120.847 120.500 -0.045 0.000 2.568 983 R HA 0.297 4.637 4.340 0.001 0.000 0.288 983 R C -0.225 175.764 176.300 -0.518 0.000 1.077 983 R CA -0.022 55.932 56.100 -0.243 0.000 1.102 983 R CB -0.152 29.967 30.300 -0.302 0.000 1.278 983 R HN 0.597 nan 8.270 nan 0.000 0.560 984 H N -0.999 118.115 119.070 0.074 0.000 2.901 984 H HA 0.155 4.711 4.556 0.001 0.000 0.227 984 H C 0.599 175.974 175.328 0.078 0.000 1.390 984 H CA -0.082 56.013 56.048 0.078 0.000 1.120 984 H CB 1.159 30.991 29.762 0.118 0.000 2.131 984 H HN 0.393 nan 8.280 nan 0.000 0.549 985 G N 2.067 110.970 108.800 0.172 0.000 2.361 985 G HA2 -0.352 3.608 3.960 0.001 0.000 0.294 985 G HA3 -0.352 3.608 3.960 0.001 0.000 0.294 985 G C 0.593 175.607 174.900 0.191 0.000 1.004 985 G CA 0.529 45.761 45.100 0.220 0.000 0.870 985 G HN 0.388 nan 8.290 nan 0.000 0.510 986 Q N 0.200 120.110 119.800 0.184 0.000 2.823 986 Q HA 0.319 4.659 4.340 0.001 0.000 0.370 986 Q C 1.079 177.193 176.000 0.191 0.000 1.110 986 Q CA -0.145 55.751 55.803 0.156 0.000 0.990 986 Q CB -0.158 28.666 28.738 0.143 0.000 1.383 986 Q HN 0.778 nan 8.270 nan 0.000 0.430 987 K N -1.370 119.120 120.400 0.151 0.000 2.382 987 K HA 0.581 4.901 4.320 0.001 0.000 0.275 987 K C 0.110 176.767 176.600 0.095 0.000 1.009 987 K CA -0.068 56.294 56.287 0.124 0.000 0.970 987 K CB 0.808 33.348 32.500 0.068 0.000 0.934 987 K HN 0.187 nan 8.250 nan 0.000 0.479 988 G N 0.871 109.721 108.800 0.083 0.000 2.616 988 G HA2 0.388 4.349 3.960 0.001 0.000 0.294 988 G HA3 0.388 4.349 3.960 0.001 0.000 0.294 988 G C -1.148 173.762 174.900 0.016 0.000 1.489 988 G CA -0.669 44.458 45.100 0.046 0.000 0.836 988 G HN 0.799 nan 8.290 nan 0.000 0.527 989 T N -1.207 113.337 114.554 -0.017 0.000 2.948 989 T HA 0.758 5.109 4.350 0.001 0.000 0.285 989 T C 0.661 175.358 174.700 -0.004 0.000 1.019 989 T CA -0.786 61.281 62.100 -0.054 0.000 1.013 989 T CB 1.180 69.995 68.868 -0.090 0.000 1.117 989 T HN 0.508 nan 8.240 nan 0.000 0.533 990 I N 0.725 121.293 120.570 -0.003 0.000 3.004 990 I HA 0.390 4.560 4.170 0.001 0.000 0.287 990 I C 1.543 177.678 176.117 0.031 0.000 1.144 990 I CA 0.064 61.386 61.300 0.038 0.000 1.353 990 I CB 0.672 38.701 38.000 0.048 0.000 1.417 990 I HN 1.008 nan 8.210 nan 0.000 0.602 991 G N 4.127 112.967 108.800 0.066 0.000 2.775 991 G HA2 0.333 4.294 3.960 0.001 0.000 0.198 991 G HA3 0.333 4.294 3.960 0.001 0.000 0.198 991 G C -0.013 174.960 174.900 0.122 0.000 1.121 991 G CA 0.216 45.382 45.100 0.111 0.000 0.686 991 G HN 0.501 nan 8.290 nan 0.000 0.782 992 I N 1.214 121.812 120.570 0.047 0.000 2.882 992 I HA 0.446 4.616 4.170 0.001 0.000 0.298 992 I C -1.207 174.803 176.117 -0.178 0.000 1.462 992 I CA -0.760 60.457 61.300 -0.139 0.000 1.000 992 I CB 2.284 40.042 38.000 -0.402 0.000 1.340 992 I HN 0.181 nan 8.210 nan 0.000 0.462 993 T N 1.659 116.064 114.554 -0.249 0.000 2.925 993 T HA 0.686 5.036 4.350 0.001 0.000 0.285 993 T C -0.988 173.558 174.700 -0.257 0.000 1.021 993 T CA -0.435 61.582 62.100 -0.140 0.000 1.042 993 T CB 1.672 70.501 68.868 -0.065 0.000 1.037 993 T HN 0.493 nan 8.240 nan 0.000 0.481 994 Y N -0.652 119.652 120.300 0.008 0.000 2.669 994 Y HA 0.679 5.229 4.550 0.001 0.000 0.335 994 Y C 0.507 176.430 175.900 0.038 0.000 1.116 994 Y CA -1.480 56.637 58.100 0.028 0.000 1.081 994 Y CB 2.317 40.818 38.460 0.069 0.000 1.297 994 Y HN 0.538 nan 8.280 nan 0.000 0.484 995 R N -0.118 120.540 120.500 0.264 0.000 2.832 995 R HA 0.446 4.787 4.340 0.001 0.000 0.271 995 R C 0.771 177.161 176.300 0.150 0.000 0.996 995 R CA -0.911 55.283 56.100 0.156 0.000 0.977 995 R CB 1.444 31.812 30.300 0.112 0.000 1.168 995 R HN 0.677 nan 8.270 nan 0.000 0.482 996 R N 0.962 121.528 120.500 0.110 0.000 2.178 996 R HA -0.285 4.056 4.340 0.001 0.000 0.257 996 R C 1.270 177.652 176.300 0.136 0.000 1.163 996 R CA 2.142 58.306 56.100 0.107 0.000 0.981 996 R CB -0.177 30.165 30.300 0.069 0.000 0.878 996 R HN 0.579 nan 8.270 nan 0.000 0.454 997 E N 0.344 120.621 120.200 0.128 0.000 2.051 997 E HA -0.163 4.188 4.350 0.001 0.000 0.192 997 E C 1.337 178.068 176.600 0.217 0.000 0.991 997 E CA 1.497 57.985 56.400 0.148 0.000 0.799 997 E CB -0.109 29.659 29.700 0.112 0.000 0.748 997 E HN 0.386 nan 8.360 nan 0.000 0.449 998 D N -0.408 120.127 120.400 0.225 0.000 2.348 998 D HA 0.035 4.675 4.640 0.001 0.000 0.211 998 D C 0.344 176.738 176.300 0.157 0.000 0.998 998 D CA 0.079 54.252 54.000 0.287 0.000 0.873 998 D CB 0.031 41.027 40.800 0.327 0.000 0.925 998 D HN 0.155 nan 8.370 nan 0.000 0.524 999 M N 2.361 122.034 119.600 0.121 0.000 2.233 999 M HA 0.188 4.668 4.480 0.001 0.000 0.350 999 M C -2.423 173.865 176.300 -0.020 0.000 1.176 999 M CA -1.830 53.468 55.300 -0.002 0.000 1.150 999 M CB 1.048 33.672 32.600 0.040 0.000 1.530 999 M HN -0.272 nan 8.290 nan 0.000 0.459 1000 P HA 0.214 nan 4.420 nan 0.000 0.281 1000 P C -1.545 175.691 177.300 -0.107 0.000 1.252 1000 P CA -0.094 62.781 63.100 -0.374 0.000 0.778 1000 P CB 0.064 31.271 31.700 -0.821 0.000 0.895 1001 F N -0.374 119.611 119.950 0.057 0.000 2.593 1001 F HA 0.715 5.242 4.527 0.001 0.000 0.320 1001 F C -0.324 175.621 175.800 0.241 0.000 1.060 1001 F CA -1.450 56.636 58.000 0.143 0.000 0.940 1001 F CB 1.114 40.175 39.000 0.101 0.000 1.268 1001 F HN 0.237 nan 8.300 nan 0.000 0.475 1002 T N 1.141 116.011 114.554 0.528 0.000 2.767 1002 T HA 0.533 4.883 4.350 0.001 0.000 0.284 1002 T C 1.136 176.084 174.700 0.413 0.000 0.973 1002 T CA -0.069 62.275 62.100 0.406 0.000 0.996 1002 T CB 1.082 70.055 68.868 0.175 0.000 0.927 1002 T HN 1.197 nan 8.240 nan 0.000 0.456 1003 A N 4.168 127.248 122.820 0.434 0.000 2.001 1003 A HA -0.206 4.114 4.320 0.001 0.000 0.224 1003 A C 2.205 179.857 177.584 0.115 0.000 1.203 1003 A CA 2.177 54.348 52.037 0.224 0.000 0.667 1003 A CB -0.890 18.247 19.000 0.228 0.000 0.823 1003 A HN 0.921 nan 8.150 nan 0.000 0.473 1004 E N -1.930 118.352 120.200 0.136 0.000 2.147 1004 E HA -0.168 4.182 4.350 0.001 0.000 0.199 1004 E C 1.709 178.331 176.600 0.037 0.000 1.005 1004 E CA 1.692 58.146 56.400 0.090 0.000 0.810 1004 E CB -0.390 29.378 29.700 0.114 0.000 0.736 1004 E HN 0.950 nan 8.360 nan 0.000 0.460 1005 G N 0.031 108.854 108.800 0.039 0.000 2.617 1005 G HA2 -0.222 3.738 3.960 0.001 0.000 0.197 1005 G HA3 -0.222 3.738 3.960 0.001 0.000 0.197 1005 G C 0.585 175.499 174.900 0.023 0.000 1.017 1005 G CA 0.006 45.096 45.100 -0.016 0.000 0.713 1005 G HN 0.252 nan 8.290 nan 0.000 0.481 1006 I N 0.543 121.128 120.570 0.024 0.000 3.094 1006 I HA 0.501 4.672 4.170 0.001 0.000 0.291 1006 I C 0.657 176.883 176.117 0.183 0.000 1.250 1006 I CA -0.379 60.936 61.300 0.026 0.000 1.401 1006 I CB 0.624 38.524 38.000 -0.167 0.000 1.343 1006 I HN 0.229 nan 8.210 nan 0.000 0.599 1007 V N 4.177 124.244 119.914 0.255 0.000 3.178 1007 V HA 0.547 4.667 4.120 0.001 0.000 0.302 1007 V C -2.397 173.882 176.094 0.309 0.000 1.262 1007 V CA -1.398 61.093 62.300 0.318 0.000 1.030 1007 V CB 2.710 34.648 31.823 0.191 0.000 1.074 1007 V HN 0.861 nan 8.190 nan 0.000 0.438 1008 P HA 0.411 nan 4.420 nan 0.000 0.276 1008 P C -0.778 176.520 177.300 -0.004 0.000 1.261 1008 P CA 0.014 63.088 63.100 -0.042 0.000 0.800 1008 P CB 1.363 32.848 31.700 -0.358 0.000 1.066 1009 D N -0.772 119.622 120.400 -0.009 0.000 2.431 1009 D HA 0.148 4.789 4.640 0.001 0.000 0.227 1009 D C 0.257 176.533 176.300 -0.041 0.000 1.030 1009 D CA 0.784 54.786 54.000 0.004 0.000 0.897 1009 D CB 0.388 41.205 40.800 0.028 0.000 1.058 1009 D HN 0.109 nan 8.370 nan 0.000 0.500 1010 L N 0.609 121.783 121.223 -0.081 0.000 2.333 1010 L HA 0.503 4.844 4.340 0.001 0.000 0.263 1010 L C -1.159 175.632 176.870 -0.132 0.000 1.014 1010 L CA -0.771 53.991 54.840 -0.130 0.000 0.820 1010 L CB 2.505 44.441 42.059 -0.205 0.000 1.352 1010 L HN -0.154 nan 8.230 nan 0.000 0.421 1011 I N 4.647 125.156 120.570 -0.101 0.000 2.603 1011 I HA 0.335 4.505 4.170 0.001 0.000 0.276 1011 I C -0.536 175.562 176.117 -0.032 0.000 1.133 1011 I CA -0.346 60.897 61.300 -0.095 0.000 1.070 1011 I CB 1.233 39.181 38.000 -0.087 0.000 1.215 1011 I HN 0.473 nan 8.210 nan 0.000 0.487 1012 I N 1.531 122.093 120.570 -0.014 0.000 2.488 1012 I HA 0.487 4.658 4.170 0.001 0.000 0.299 1012 I C 0.181 176.308 176.117 0.017 0.000 0.984 1012 I CA -0.418 60.896 61.300 0.023 0.000 1.250 1012 I CB 1.461 39.504 38.000 0.072 0.000 1.389 1012 I HN 0.426 nan 8.210 nan 0.000 0.488 1013 N N 7.006 125.724 118.700 0.030 0.000 2.497 1013 N HA 0.139 4.879 4.740 0.001 0.000 0.268 1013 N C -1.516 173.975 175.510 -0.033 0.000 1.171 1013 N CA -1.444 51.617 53.050 0.018 0.000 0.948 1013 N CB 1.253 39.790 38.487 0.083 0.000 1.069 1013 N HN 0.526 nan 8.380 nan 0.000 0.460 1014 P HA -0.172 nan 4.420 nan 0.000 0.218 1014 P C 0.721 177.913 177.300 -0.180 0.000 1.146 1014 P CA 1.383 64.373 63.100 -0.183 0.000 0.813 1014 P CB 0.030 31.576 31.700 -0.257 0.000 0.778 1015 H N 0.192 119.247 119.070 -0.025 0.000 2.518 1015 H HA 0.066 4.623 4.556 0.001 0.000 0.289 1015 H C 1.753 177.061 175.328 -0.033 0.000 1.051 1015 H CA 1.207 57.239 56.048 -0.026 0.000 1.280 1015 H CB -0.545 29.206 29.762 -0.018 0.000 1.380 1015 H HN 0.175 nan 8.280 nan 0.000 0.566 1016 A N 0.573 123.426 122.820 0.055 0.000 2.261 1016 A HA 0.045 4.365 4.320 0.001 0.000 0.208 1016 A C 1.805 179.362 177.584 -0.045 0.000 1.223 1016 A CA 0.286 52.328 52.037 0.008 0.000 0.833 1016 A CB -0.331 18.667 19.000 -0.004 0.000 0.830 1016 A HN 0.132 nan 8.150 nan 0.000 0.483 1017 I N -0.770 119.769 120.570 -0.051 0.000 3.341 1017 I HA 0.085 4.256 4.170 0.001 0.000 0.243 1017 I C -0.626 175.461 176.117 -0.050 0.000 1.094 1017 I CA -0.129 61.122 61.300 -0.081 0.000 1.507 1017 I CB -2.031 35.901 38.000 -0.113 0.000 1.441 1017 I HN 0.008 nan 8.210 nan 0.000 0.465 1018 P HA -0.255 nan 4.420 nan 0.000 0.218 1018 P C 1.927 179.219 177.300 -0.014 0.000 1.132 1018 P CA 3.158 66.247 63.100 -0.018 0.000 0.968 1018 P CB -0.145 31.557 31.700 0.003 0.000 0.783 1019 S N -1.746 113.951 115.700 -0.005 0.000 2.402 1019 S HA -0.096 4.374 4.470 0.001 0.000 0.229 1019 S C 1.863 176.454 174.600 -0.014 0.000 1.021 1019 S CA 0.698 58.894 58.200 -0.006 0.000 0.974 1019 S CB -0.772 62.428 63.200 0.000 0.000 0.800 1019 S HN 0.007 nan 8.310 nan 0.000 0.484 1020 R N 0.892 121.381 120.500 -0.019 0.000 2.148 1020 R HA 0.206 4.546 4.340 0.001 0.000 0.223 1020 R C 0.793 177.073 176.300 -0.033 0.000 1.088 1020 R CA 0.528 56.611 56.100 -0.027 0.000 0.985 1020 R CB -0.996 29.287 30.300 -0.030 0.000 0.880 1020 R HN 0.526 nan 8.270 nan 0.000 0.451 1021 M N 1.327 120.909 119.600 -0.030 0.000 2.303 1021 M HA -0.176 4.305 4.480 0.001 0.000 0.189 1021 M C -0.253 176.038 176.300 -0.015 0.000 0.688 1021 M CA 0.928 56.215 55.300 -0.023 0.000 0.479 1021 M CB -1.474 31.116 32.600 -0.015 0.000 1.094 1021 M HN 0.045 nan 8.290 nan 0.000 0.907 1022 T N -0.685 113.853 114.554 -0.028 0.000 2.893 1022 T HA 0.539 4.890 4.350 0.001 0.000 0.324 1022 T C 0.645 175.323 174.700 -0.037 0.000 1.082 1022 T CA -0.723 61.371 62.100 -0.009 0.000 0.983 1022 T CB 0.780 69.641 68.868 -0.011 0.000 1.005 1022 T HN 0.204 nan 8.240 nan 0.000 0.475 1023 V N 4.680 124.595 119.914 0.002 0.000 2.599 1023 V HA 0.120 4.240 4.120 0.001 0.000 0.245 1023 V C 2.929 179.003 176.094 -0.035 0.000 1.046 1023 V CA 1.462 63.748 62.300 -0.023 0.000 1.065 1023 V CB -0.958 30.865 31.823 0.001 0.000 0.703 1023 V HN 0.929 nan 8.190 nan 0.000 0.464 1024 A N 0.169 123.012 122.820 0.038 0.000 1.940 1024 A HA -0.382 3.938 4.320 0.001 0.000 0.221 1024 A C 2.221 179.758 177.584 -0.078 0.000 1.190 1024 A CA 2.577 54.692 52.037 0.131 0.000 0.647 1024 A CB -1.038 18.198 19.000 0.392 0.000 0.821 1024 A HN 0.716 nan 8.150 nan 0.000 0.457 1025 H N -0.036 118.592 119.070 -0.736 0.000 2.289 1025 H HA -0.115 4.441 4.556 0.001 0.000 0.296 1025 H C 2.002 177.218 175.328 -0.187 0.000 1.091 1025 H CA 2.094 57.642 56.048 -0.835 0.000 1.274 1025 H CB -0.452 28.884 29.762 -0.710 0.000 1.364 1025 H HN 0.442 nan 8.280 nan 0.000 0.490 1026 L N 0.240 121.519 121.223 0.093 0.000 2.043 1026 L HA -0.221 4.119 4.340 0.001 0.000 0.212 1026 L C 2.914 179.891 176.870 0.178 0.000 1.075 1026 L CA 1.302 56.211 54.840 0.114 0.000 0.752 1026 L CB -0.314 41.687 42.059 -0.096 0.000 0.891 1026 L HN 0.300 nan 8.230 nan 0.000 0.432 1027 I N -0.606 120.021 120.570 0.094 0.000 2.193 1027 I HA -0.292 3.878 4.170 0.001 0.000 0.240 1027 I C 2.530 178.807 176.117 0.267 0.000 1.084 1027 I CA 1.247 62.629 61.300 0.137 0.000 1.365 1027 I CB -0.474 37.493 38.000 -0.056 0.000 1.064 1027 I HN 0.344 nan 8.210 nan 0.000 0.410 1028 E N 0.747 121.104 120.200 0.261 0.000 2.164 1028 E HA -0.362 3.988 4.350 0.001 0.000 0.206 1028 E C 2.316 178.956 176.600 0.067 0.000 1.032 1028 E CA 2.203 58.675 56.400 0.120 0.000 0.832 1028 E CB -0.218 29.491 29.700 0.015 0.000 0.742 1028 E HN 0.585 nan 8.360 nan 0.000 0.460 1029 C N -0.155 119.184 119.300 0.065 0.000 2.504 1029 C HA -0.193 4.267 4.460 0.001 0.000 0.285 1029 C C 2.601 177.596 174.990 0.009 0.000 1.225 1029 C CA 1.195 60.218 59.018 0.009 0.000 1.755 1029 C CB -1.317 26.442 27.740 0.031 0.000 2.065 1029 C HN 0.648 nan 8.230 nan 0.000 0.452 1030 L N 0.720 122.009 121.223 0.109 0.000 1.991 1030 L HA -0.165 4.176 4.340 0.001 0.000 0.221 1030 L C 2.386 179.304 176.870 0.080 0.000 1.079 1030 L CA 2.351 57.252 54.840 0.102 0.000 0.778 1030 L CB -1.325 40.852 42.059 0.196 0.000 0.893 1030 L HN 0.533 nan 8.230 nan 0.000 0.437 1031 L N -1.274 120.026 121.223 0.128 0.000 2.021 1031 L HA -0.249 4.091 4.340 0.001 0.000 0.215 1031 L C 2.489 179.387 176.870 0.047 0.000 1.074 1031 L CA 2.306 57.221 54.840 0.125 0.000 0.760 1031 L CB -1.167 41.024 42.059 0.220 0.000 0.889 1031 L HN 0.312 nan 8.230 nan 0.000 0.433 1032 S N -0.704 115.004 115.700 0.014 0.000 2.368 1032 S HA -0.184 4.287 4.470 0.001 0.000 0.224 1032 S C 1.901 176.469 174.600 -0.053 0.000 1.029 1032 S CA 1.289 59.473 58.200 -0.028 0.000 0.988 1032 S CB -0.327 62.853 63.200 -0.034 0.000 0.838 1032 S HN 0.483 nan 8.310 nan 0.000 0.462 1033 K N 0.957 121.315 120.400 -0.070 0.000 2.442 1033 K HA -0.048 4.272 4.320 0.001 0.000 0.199 1033 K C 1.452 177.983 176.600 -0.114 0.000 1.044 1033 K CA 0.625 56.837 56.287 -0.126 0.000 0.941 1033 K CB 0.005 32.405 32.500 -0.167 0.000 0.759 1033 K HN 0.166 nan 8.250 nan 0.000 0.472 1034 V N 0.065 119.945 119.914 -0.057 0.000 2.543 1034 V HA -0.023 4.097 4.120 0.001 0.000 0.232 1034 V C 2.009 178.056 176.094 -0.079 0.000 1.087 1034 V CA 1.384 63.656 62.300 -0.048 0.000 1.113 1034 V CB -0.248 31.601 31.823 0.043 0.000 0.779 1034 V HN 0.385 nan 8.190 nan 0.000 0.495 1035 A N 0.168 122.970 122.820 -0.030 0.000 2.104 1035 A HA -0.270 4.050 4.320 0.001 0.000 0.223 1035 A C 2.220 179.768 177.584 -0.060 0.000 1.164 1035 A CA 2.482 54.500 52.037 -0.031 0.000 0.659 1035 A CB -0.784 18.202 19.000 -0.024 0.000 0.808 1035 A HN 0.700 nan 8.150 nan 0.000 0.465 1036 A N -0.832 121.939 122.820 -0.082 0.000 1.968 1036 A HA 0.117 4.437 4.320 0.001 0.000 0.217 1036 A C 2.096 179.616 177.584 -0.107 0.000 1.169 1036 A CA 1.359 53.343 52.037 -0.089 0.000 0.638 1036 A CB -0.356 18.585 19.000 -0.099 0.000 0.812 1036 A HN 0.493 nan 8.150 nan 0.000 0.446 1037 L N -0.207 120.915 121.223 -0.168 0.000 2.202 1037 L HA -0.048 4.293 4.340 0.001 0.000 0.205 1037 L C 2.716 179.482 176.870 -0.174 0.000 1.083 1037 L CA 1.311 56.009 54.840 -0.236 0.000 0.790 1037 L CB -0.198 41.547 42.059 -0.524 0.000 0.942 1037 L HN 0.525 nan 8.230 nan 0.000 0.452 1038 S N -0.580 115.046 115.700 -0.122 0.000 2.528 1038 S HA 0.099 4.569 4.470 0.001 0.000 0.219 1038 S C 1.553 176.161 174.600 0.013 0.000 0.985 1038 S CA 0.360 58.572 58.200 0.022 0.000 0.914 1038 S CB 0.137 63.397 63.200 0.100 0.000 0.776 1038 S HN 0.463 nan 8.310 nan 0.000 0.526 1039 G N 1.911 110.700 108.800 -0.018 0.000 2.305 1039 G HA2 -0.229 3.731 3.960 0.001 0.000 0.287 1039 G HA3 -0.229 3.731 3.960 0.001 0.000 0.287 1039 G C -0.335 174.560 174.900 -0.008 0.000 1.036 1039 G CA 0.139 45.229 45.100 -0.017 0.000 0.887 1039 G HN 0.559 nan 8.290 nan 0.000 0.505 1040 N N 0.600 119.298 118.700 -0.003 0.000 2.569 1040 N HA 0.212 4.952 4.740 0.001 0.000 0.254 1040 N C -0.038 175.467 175.510 -0.010 0.000 1.004 1040 N CA -0.460 52.592 53.050 0.003 0.000 0.904 1040 N CB 1.260 39.762 38.487 0.026 0.000 1.165 1040 N HN 0.551 nan 8.380 nan 0.000 0.513 1041 E N 1.425 121.609 120.200 -0.027 0.000 3.111 1041 E HA -0.092 4.259 4.350 0.001 0.000 0.230 1041 E C 0.427 177.005 176.600 -0.035 0.000 1.035 1041 E CA -0.002 56.371 56.400 -0.045 0.000 0.944 1041 E CB 0.063 29.728 29.700 -0.058 0.000 0.919 1041 E HN 0.531 nan 8.360 nan 0.000 0.554 1042 G N 4.615 113.395 108.800 -0.033 0.000 2.299 1042 G HA2 -0.071 3.890 3.960 0.001 0.000 0.256 1042 G HA3 -0.071 3.890 3.960 0.001 0.000 0.256 1042 G C -0.304 174.574 174.900 -0.037 0.000 1.259 1042 G CA -0.400 44.694 45.100 -0.010 0.000 0.943 1042 G HN 0.628 nan 8.290 nan 0.000 0.479 1043 D N 1.270 121.673 120.400 0.004 0.000 2.295 1043 D HA 0.476 5.117 4.640 0.001 0.000 0.248 1043 D C 0.684 176.990 176.300 0.010 0.000 1.154 1043 D CA -0.069 53.924 54.000 -0.012 0.000 0.857 1043 D CB 1.248 42.068 40.800 0.034 0.000 1.117 1043 D HN 0.318 nan 8.370 nan 0.000 0.468 1044 A N 2.982 125.682 122.820 -0.201 0.000 2.589 1044 A HA 0.260 4.581 4.320 0.001 0.000 0.283 1044 A C 0.776 178.197 177.584 -0.271 0.000 1.187 1044 A CA -0.436 51.212 52.037 -0.648 0.000 0.957 1044 A CB -0.026 18.065 19.000 -1.515 0.000 1.175 1044 A HN 0.465 nan 8.150 nan 0.000 0.532 1045 S N 2.071 117.761 115.700 -0.016 0.000 2.542 1045 S HA 0.106 4.577 4.470 0.001 0.000 0.287 1045 S C -1.302 173.407 174.600 0.182 0.000 1.315 1045 S CA -0.312 57.934 58.200 0.076 0.000 1.037 1045 S CB 0.439 63.735 63.200 0.159 0.000 0.822 1045 S HN 0.344 nan 8.310 nan 0.000 0.513 1046 P HA -0.156 nan 4.420 nan 0.000 0.223 1046 P C -0.237 177.008 177.300 -0.092 0.000 1.031 1046 P CA 1.226 64.215 63.100 -0.185 0.000 0.993 1046 P CB -0.021 31.471 31.700 -0.346 0.000 0.599 1047 F N -1.003 119.083 119.950 0.226 0.000 2.390 1047 F HA 0.490 5.018 4.527 0.001 0.000 0.361 1047 F C 1.048 176.978 175.800 0.217 0.000 1.124 1047 F CA -0.485 57.615 58.000 0.167 0.000 1.149 1047 F CB -0.807 38.233 39.000 0.068 0.000 1.160 1047 F HN 0.075 nan 8.300 nan 0.000 0.501 1048 T N -2.006 112.775 114.554 0.378 0.000 2.590 1048 T HA 0.379 4.730 4.350 0.001 0.000 0.282 1048 T C -0.525 174.315 174.700 0.234 0.000 0.989 1048 T CA -0.847 61.451 62.100 0.330 0.000 1.091 1048 T CB 1.606 70.680 68.868 0.344 0.000 1.460 1048 T HN 0.342 nan 8.240 nan 0.000 0.499 1049 D N 0.729 121.248 120.400 0.200 0.000 3.058 1049 D HA 0.439 5.080 4.640 0.001 0.000 0.272 1049 D C -0.256 176.120 176.300 0.127 0.000 1.350 1049 D CA -0.023 54.063 54.000 0.144 0.000 0.863 1049 D CB -0.106 40.767 40.800 0.123 0.000 1.064 1049 D HN 0.429 nan 8.370 nan 0.000 0.488 1050 I N -0.180 120.470 120.570 0.133 0.000 2.863 1050 I HA 0.416 4.586 4.170 0.001 0.000 0.311 1050 I C 0.606 176.747 176.117 0.040 0.000 1.026 1050 I CA -0.588 60.771 61.300 0.098 0.000 1.077 1050 I CB 2.173 40.253 38.000 0.133 0.000 1.262 1050 I HN -0.129 nan 8.210 nan 0.000 0.461 1051 T N -0.844 113.718 114.554 0.012 0.000 2.792 1051 T HA 0.337 4.688 4.350 0.001 0.000 0.303 1051 T C 0.331 175.009 174.700 -0.035 0.000 1.310 1051 T CA -0.722 61.367 62.100 -0.019 0.000 1.007 1051 T CB 1.589 70.467 68.868 0.016 0.000 1.335 1051 T HN 0.155 nan 8.240 nan 0.000 0.504 1052 V N 0.740 120.624 119.914 -0.049 0.000 2.453 1052 V HA -0.057 4.063 4.120 0.001 0.000 0.247 1052 V C 2.677 178.782 176.094 0.018 0.000 1.048 1052 V CA 1.438 63.722 62.300 -0.026 0.000 1.049 1052 V CB -0.713 31.090 31.823 -0.033 0.000 0.672 1052 V HN 0.870 nan 8.190 nan 0.000 0.457 1053 E N 0.791 121.002 120.200 0.018 0.000 2.150 1053 E HA -0.138 4.212 4.350 0.001 0.000 0.193 1053 E C 2.303 178.924 176.600 0.035 0.000 0.985 1053 E CA 1.409 57.825 56.400 0.028 0.000 0.814 1053 E CB -0.385 29.329 29.700 0.024 0.000 0.752 1053 E HN 0.628 nan 8.360 nan 0.000 0.466 1054 G N 1.009 109.830 108.800 0.035 0.000 2.394 1054 G HA2 -0.168 3.792 3.960 0.001 0.000 0.215 1054 G HA3 -0.168 3.792 3.960 0.001 0.000 0.215 1054 G C 1.720 176.654 174.900 0.057 0.000 1.165 1054 G CA 0.191 45.318 45.100 0.045 0.000 0.784 1054 G HN 0.152 nan 8.290 nan 0.000 0.535 1055 I N 0.847 121.453 120.570 0.059 0.000 2.286 1055 I HA -0.126 4.044 4.170 0.001 0.000 0.245 1055 I C 2.963 179.134 176.117 0.089 0.000 1.104 1055 I CA 0.745 62.094 61.300 0.081 0.000 1.397 1055 I CB -0.147 37.905 38.000 0.086 0.000 1.072 1055 I HN 0.100 nan 8.210 nan 0.000 0.417 1056 S N 0.861 116.610 115.700 0.081 0.000 2.374 1056 S HA -0.247 4.224 4.470 0.001 0.000 0.227 1056 S C 1.915 176.563 174.600 0.080 0.000 1.037 1056 S CA 1.525 59.778 58.200 0.089 0.000 1.024 1056 S CB -0.224 63.020 63.200 0.075 0.000 0.861 1056 S HN 0.388 nan 8.310 nan 0.000 0.456 1057 K N 0.663 121.101 120.400 0.063 0.000 2.097 1057 K HA 0.000 4.321 4.320 0.001 0.000 0.206 1057 K C 2.038 178.672 176.600 0.055 0.000 1.049 1057 K CA 0.975 57.292 56.287 0.049 0.000 0.933 1057 K CB -0.320 32.203 32.500 0.038 0.000 0.717 1057 K HN 0.302 nan 8.250 nan 0.000 0.442 1058 L N 0.486 121.755 121.223 0.076 0.000 2.027 1058 L HA -0.180 4.161 4.340 0.001 0.000 0.206 1058 L C 2.348 179.319 176.870 0.168 0.000 1.074 1058 L CA 0.597 55.496 54.840 0.098 0.000 0.745 1058 L CB -0.316 41.814 42.059 0.118 0.000 0.898 1058 L HN 0.157 nan 8.230 nan 0.000 0.433 1059 L N -0.184 121.147 121.223 0.180 0.000 2.275 1059 L HA -0.158 4.182 4.340 0.001 0.000 0.215 1059 L C 2.564 179.559 176.870 0.210 0.000 1.119 1059 L CA 1.366 56.346 54.840 0.234 0.000 0.790 1059 L CB -0.475 41.689 42.059 0.175 0.000 0.919 1059 L HN 0.081 nan 8.230 nan 0.000 0.443 1060 R N 0.443 121.017 120.500 0.123 0.000 2.073 1060 R HA -0.090 4.250 4.340 0.001 0.000 0.229 1060 R C 1.947 178.263 176.300 0.027 0.000 1.120 1060 R CA 1.521 57.667 56.100 0.076 0.000 0.967 1060 R CB -0.502 29.826 30.300 0.046 0.000 0.862 1060 R HN 0.469 nan 8.270 nan 0.000 0.436 1061 E N -0.560 119.624 120.200 -0.026 0.000 2.501 1061 E HA -0.165 4.185 4.350 0.001 0.000 0.203 1061 E C 0.505 176.940 176.600 -0.276 0.000 1.072 1061 E CA 0.503 56.814 56.400 -0.147 0.000 0.885 1061 E CB -0.033 29.546 29.700 -0.202 0.000 0.813 1061 E HN 0.485 nan 8.360 nan 0.000 0.556 1062 H N -1.833 117.244 119.070 0.013 0.000 2.893 1062 H HA 0.168 4.724 4.556 0.001 0.000 0.270 1062 H C 1.430 176.680 175.328 -0.130 0.000 1.095 1062 H CA 0.760 56.804 56.048 -0.006 0.000 1.186 1062 H CB 1.566 31.382 29.762 0.090 0.000 1.562 1062 H HN 0.322 nan 8.280 nan 0.000 0.536 1063 G N 0.635 109.414 108.800 -0.035 0.000 2.241 1063 G HA2 -0.276 3.684 3.960 0.001 0.000 0.244 1063 G HA3 -0.276 3.684 3.960 0.001 0.000 0.244 1063 G C -0.108 174.680 174.900 -0.186 0.000 0.998 1063 G CA -0.076 44.926 45.100 -0.164 0.000 0.621 1063 G HN 0.360 nan 8.290 nan 0.000 0.519 1064 Y N 1.109 121.447 120.300 0.063 0.000 2.320 1064 Y HA 0.549 5.100 4.550 0.001 0.000 0.324 1064 Y C 0.957 176.892 175.900 0.059 0.000 1.190 1064 Y CA -0.363 57.765 58.100 0.047 0.000 1.215 1064 Y CB 0.862 39.336 38.460 0.022 0.000 1.221 1064 Y HN 0.347 nan 8.280 nan 0.000 0.486 1065 Q N 1.345 121.286 119.800 0.235 0.000 2.437 1065 Q HA -0.164 4.176 4.340 0.001 0.000 0.363 1065 Q C 0.976 177.074 176.000 0.163 0.000 1.206 1065 Q CA 0.935 56.835 55.803 0.162 0.000 1.070 1065 Q CB 0.600 29.447 28.738 0.181 0.000 1.208 1065 Q HN 0.776 nan 8.270 nan 0.000 0.423 1066 S N 2.660 118.426 115.700 0.111 0.000 2.562 1066 S HA 0.073 4.543 4.470 0.001 0.000 0.221 1066 S C 0.564 175.251 174.600 0.145 0.000 0.975 1066 S CA 0.238 58.505 58.200 0.112 0.000 0.918 1066 S CB 0.208 63.448 63.200 0.067 0.000 0.772 1066 S HN 0.634 nan 8.310 nan 0.000 0.531 1067 R N 0.409 121.023 120.500 0.190 0.000 2.577 1067 R HA 0.418 4.759 4.340 0.001 0.000 0.344 1067 R C 1.574 178.238 176.300 0.608 0.000 1.037 1067 R CA 0.305 56.600 56.100 0.325 0.000 1.102 1067 R CB -0.391 30.027 30.300 0.197 0.000 1.313 1067 R HN 0.518 nan 8.270 nan 0.000 0.561 1068 G N 1.014 110.057 108.800 0.406 0.000 2.812 1068 G HA2 -0.331 3.629 3.960 0.001 0.000 0.219 1068 G HA3 -0.331 3.629 3.960 0.001 0.000 0.219 1068 G C 0.279 175.355 174.900 0.293 0.000 1.275 1068 G CA -0.063 45.189 45.100 0.253 0.000 0.769 1068 G HN 0.194 nan 8.290 nan 0.000 0.527 1069 F N 2.352 122.417 119.950 0.193 0.000 2.604 1069 F HA 0.368 4.895 4.527 0.001 0.000 0.326 1069 F C 1.217 177.083 175.800 0.110 0.000 1.070 1069 F CA 1.166 59.265 58.000 0.164 0.000 1.303 1069 F CB 0.146 39.236 39.000 0.149 0.000 0.974 1069 F HN 0.436 nan 8.300 nan 0.000 0.636 1070 E N -0.434 119.946 120.200 0.300 0.000 2.363 1070 E HA 0.400 4.750 4.350 0.001 0.000 0.281 1070 E C -1.477 175.230 176.600 0.179 0.000 0.953 1070 E CA -0.918 55.608 56.400 0.211 0.000 0.778 1070 E CB 2.406 32.189 29.700 0.138 0.000 1.220 1070 E HN 0.210 nan 8.360 nan 0.000 0.431 1071 V N 2.446 122.441 119.914 0.136 0.000 2.963 1071 V HA 0.279 4.400 4.120 0.001 0.000 0.306 1071 V C 0.308 176.419 176.094 0.029 0.000 1.077 1071 V CA 0.401 62.727 62.300 0.044 0.000 1.124 1071 V CB 0.432 32.260 31.823 0.008 0.000 0.987 1071 V HN 0.652 nan 8.190 nan 0.000 0.487 1072 M N 2.415 121.936 119.600 -0.130 0.000 2.569 1072 M HA 0.515 4.995 4.480 0.001 0.000 0.279 1072 M C -1.959 174.077 176.300 -0.440 0.000 1.253 1072 M CA -0.536 54.685 55.300 -0.131 0.000 0.867 1072 M CB 2.926 35.495 32.600 -0.052 0.000 1.727 1072 M HN 0.550 nan 8.290 nan 0.000 0.467 1073 Y N 0.597 120.602 120.300 -0.493 0.000 2.377 1073 Y HA 0.325 4.875 4.550 0.001 0.000 0.339 1073 Y C 0.316 175.785 175.900 -0.717 0.000 1.011 1073 Y CA -1.169 56.547 58.100 -0.639 0.000 1.093 1073 Y CB 0.852 38.833 38.460 -0.798 0.000 1.201 1073 Y HN 0.515 nan 8.280 nan 0.000 0.455 1074 N N 1.992 120.570 118.700 -0.203 0.000 2.416 1074 N HA -0.038 4.702 4.740 0.001 0.000 0.271 1074 N C 1.184 176.681 175.510 -0.023 0.000 1.245 1074 N CA 0.735 53.733 53.050 -0.086 0.000 0.940 1074 N CB 1.247 39.702 38.487 -0.053 0.000 1.175 1074 N HN 1.047 nan 8.380 nan 0.000 0.483 1075 G N 3.388 112.213 108.800 0.042 0.000 2.550 1075 G HA2 -0.297 3.664 3.960 0.001 0.000 0.222 1075 G HA3 -0.297 3.664 3.960 0.001 0.000 0.222 1075 G C 1.058 176.149 174.900 0.318 0.000 1.113 1075 G CA 0.956 46.205 45.100 0.248 0.000 0.748 1075 G HN 0.713 nan 8.290 nan 0.000 0.585 1076 H N 0.499 119.625 119.070 0.093 0.000 2.307 1076 H HA -0.020 4.537 4.556 0.001 0.000 0.303 1076 H C 2.977 178.348 175.328 0.073 0.000 1.073 1076 H CA 1.933 58.015 56.048 0.057 0.000 1.338 1076 H CB -0.866 28.895 29.762 -0.001 0.000 1.389 1076 H HN 0.498 nan 8.280 nan 0.000 0.503 1077 T N -3.929 110.745 114.554 0.200 0.000 2.953 1077 T HA 0.292 4.643 4.350 0.001 0.000 0.247 1077 T C 1.852 176.652 174.700 0.166 0.000 1.029 1077 T CA 0.884 63.072 62.100 0.146 0.000 1.144 1077 T CB -0.077 68.853 68.868 0.104 0.000 0.870 1077 T HN 0.525 nan 8.240 nan 0.000 0.446 1078 G N 1.486 110.397 108.800 0.186 0.000 2.179 1078 G HA2 -0.204 3.756 3.960 0.001 0.000 0.220 1078 G HA3 -0.204 3.756 3.960 0.001 0.000 0.220 1078 G C -0.009 175.060 174.900 0.283 0.000 0.990 1078 G CA 0.138 45.402 45.100 0.273 0.000 0.646 1078 G HN 0.821 nan 8.290 nan 0.000 0.517 1079 K N 0.960 121.466 120.400 0.177 0.000 2.180 1079 K HA 0.491 4.811 4.320 0.001 0.000 0.251 1079 K C 0.735 177.377 176.600 0.069 0.000 1.014 1079 K CA -0.410 55.967 56.287 0.150 0.000 0.913 1079 K CB 0.351 32.892 32.500 0.068 0.000 1.008 1079 K HN 0.178 nan 8.250 nan 0.000 0.490 1080 K N 1.802 122.163 120.400 -0.065 0.000 2.219 1080 K HA 0.167 4.488 4.320 0.001 0.000 0.258 1080 K C -0.351 176.100 176.600 -0.250 0.000 1.008 1080 K CA -0.321 55.715 56.287 -0.417 0.000 0.928 1080 K CB 0.499 32.762 32.500 -0.394 0.000 0.983 1080 K HN 0.429 nan 8.250 nan 0.000 0.484 1081 L N 3.830 124.880 121.223 -0.289 0.000 2.261 1081 L HA 0.092 4.433 4.340 0.001 0.000 0.289 1081 L C 1.367 178.170 176.870 -0.112 0.000 1.059 1081 L CA -0.458 54.291 54.840 -0.152 0.000 0.816 1081 L CB 1.050 43.031 42.059 -0.131 0.000 1.191 1081 L HN 0.774 nan 8.230 nan 0.000 0.431 1082 M N 3.684 123.243 119.600 -0.070 0.000 2.103 1082 M HA -0.185 4.295 4.480 0.001 0.000 0.255 1082 M C 0.928 177.213 176.300 -0.024 0.000 1.074 1082 M CA 1.766 57.041 55.300 -0.042 0.000 1.090 1082 M CB -0.152 32.434 32.600 -0.023 0.000 1.325 1082 M HN 0.649 nan 8.290 nan 0.000 0.403 1083 A N -0.737 122.076 122.820 -0.012 0.000 2.256 1083 A HA 0.615 4.935 4.320 0.001 0.000 0.318 1083 A C -0.416 177.187 177.584 0.031 0.000 1.103 1083 A CA -0.716 51.335 52.037 0.023 0.000 0.860 1083 A CB 0.509 19.527 19.000 0.030 0.000 1.182 1083 A HN 0.466 nan 8.150 nan 0.000 0.501 1084 Q N -0.711 119.154 119.800 0.108 0.000 2.297 1084 Q HA 0.706 5.047 4.340 0.001 0.000 0.268 1084 Q C -1.209 174.868 176.000 0.129 0.000 1.045 1084 Q CA -0.266 55.624 55.803 0.145 0.000 0.861 1084 Q CB 1.538 30.431 28.738 0.258 0.000 1.344 1084 Q HN 0.573 nan 8.270 nan 0.000 0.452 1085 I N 0.333 120.943 120.570 0.066 0.000 2.750 1085 I HA 0.323 4.493 4.170 0.001 0.000 0.308 1085 I C -0.746 175.303 176.117 -0.112 0.000 1.016 1085 I CA -0.724 60.542 61.300 -0.055 0.000 1.098 1085 I CB 0.897 38.844 38.000 -0.088 0.000 1.279 1085 I HN 0.507 nan 8.210 nan 0.000 0.454 1086 F N 5.408 125.107 119.950 -0.418 0.000 2.462 1086 F HA 0.380 4.907 4.527 0.001 0.000 0.354 1086 F C -0.680 175.059 175.800 -0.101 0.000 1.192 1086 F CA -0.508 57.246 58.000 -0.410 0.000 1.173 1086 F CB -0.288 38.431 39.000 -0.470 0.000 1.402 1086 F HN 0.190 nan 8.300 nan 0.000 0.595 1087 F N 4.034 123.735 119.950 -0.415 0.000 2.422 1087 F HA 0.722 5.249 4.527 0.001 0.000 0.333 1087 F C 0.394 175.914 175.800 -0.468 0.000 1.095 1087 F CA -0.124 57.663 58.000 -0.356 0.000 1.038 1087 F CB 1.275 40.151 39.000 -0.208 0.000 1.156 1087 F HN 0.585 nan 8.300 nan 0.000 0.483 1088 G N 4.760 113.745 108.800 0.308 0.000 2.352 1088 G HA2 0.153 4.113 3.960 0.001 0.000 0.305 1088 G HA3 0.153 4.113 3.960 0.001 0.000 0.305 1088 G C -3.403 171.498 174.900 0.002 0.000 1.537 1088 G CA -1.149 43.930 45.100 -0.035 0.000 0.959 1088 G HN 0.389 nan 8.290 nan 0.000 0.668 1089 P HA 0.474 nan 4.420 nan 0.000 0.271 1089 P C -0.432 176.873 177.300 0.009 0.000 1.233 1089 P CA 0.341 63.451 63.100 0.018 0.000 0.789 1089 P CB 1.125 32.822 31.700 -0.005 0.000 0.951 1090 T N 0.275 114.865 114.554 0.060 0.000 3.393 1090 T HA 0.106 4.456 4.350 0.001 0.000 0.359 1090 T C -1.352 173.424 174.700 0.126 0.000 1.380 1090 T CA -0.318 61.795 62.100 0.022 0.000 1.132 1090 T CB 0.198 69.024 68.868 -0.070 0.000 1.284 1090 T HN 0.218 nan 8.240 nan 0.000 0.477 1091 Y N 3.065 123.326 120.300 -0.066 0.000 2.465 1091 Y HA 0.460 5.010 4.550 0.001 0.000 0.331 1091 Y C -0.945 174.928 175.900 -0.044 0.000 1.102 1091 Y CA -0.516 57.583 58.100 -0.002 0.000 1.358 1091 Y CB 0.157 38.614 38.460 -0.004 0.000 1.213 1091 Y HN 0.627 nan 8.280 nan 0.000 0.525 1092 Y N 4.415 124.661 120.300 -0.090 0.000 2.376 1092 Y HA 0.346 4.897 4.550 0.001 0.000 0.340 1092 Y C -0.249 175.614 175.900 -0.062 0.000 0.965 1092 Y CA -0.898 57.189 58.100 -0.021 0.000 1.078 1092 Y CB 1.513 40.019 38.460 0.078 0.000 1.193 1092 Y HN 0.491 nan 8.280 nan 0.000 0.452 1093 Q N 3.197 123.090 119.800 0.155 0.000 2.235 1093 Q HA 0.382 4.722 4.340 0.001 0.000 0.250 1093 Q C -0.588 175.584 176.000 0.286 0.000 0.909 1093 Q CA -0.936 54.960 55.803 0.155 0.000 0.910 1093 Q CB 1.768 30.566 28.738 0.100 0.000 1.223 1093 Q HN 0.494 nan 8.270 nan 0.000 0.432 1094 R N 3.080 123.781 120.500 0.336 0.000 2.278 1094 R HA 0.230 4.570 4.340 0.001 0.000 0.322 1094 R C -1.192 175.210 176.300 0.169 0.000 1.058 1094 R CA -0.537 55.774 56.100 0.351 0.000 0.991 1094 R CB -0.056 30.516 30.300 0.453 0.000 1.140 1094 R HN 0.381 nan 8.270 nan 0.000 0.518 1095 L N 2.798 124.063 121.223 0.070 0.000 2.453 1095 L HA 0.440 4.780 4.340 0.001 0.000 0.261 1095 L C 0.996 177.828 176.870 -0.062 0.000 1.179 1095 L CA -0.559 54.294 54.840 0.022 0.000 0.813 1095 L CB 0.077 42.132 42.059 -0.007 0.000 1.110 1095 L HN 0.553 nan 8.230 nan 0.000 0.466 1096 R N -0.260 120.174 120.500 -0.110 0.000 2.896 1096 R HA 0.192 4.532 4.340 0.001 0.000 0.283 1096 R C -0.772 175.383 176.300 -0.242 0.000 1.201 1096 R CA -0.407 55.581 56.100 -0.185 0.000 1.178 1096 R CB -0.050 30.076 30.300 -0.290 0.000 1.152 1096 R HN 0.749 nan 8.270 nan 0.000 0.590 1097 H N -1.057 117.906 119.070 -0.179 0.000 3.461 1097 H HA -0.059 4.497 4.556 0.001 0.000 0.376 1097 H C -1.127 174.078 175.328 -0.205 0.000 1.351 1097 H CA 0.337 56.275 56.048 -0.184 0.000 1.394 1097 H CB -1.495 28.159 29.762 -0.180 0.000 1.455 1097 H HN 0.580 nan 8.280 nan 0.000 0.466 1098 M N 0.523 120.065 119.600 -0.097 0.000 2.423 1098 M HA 0.288 4.768 4.480 0.001 0.000 0.335 1098 M C 1.777 178.012 176.300 -0.108 0.000 1.177 1098 M CA -0.523 54.690 55.300 -0.146 0.000 1.038 1098 M CB 1.908 34.407 32.600 -0.168 0.000 1.641 1098 M HN 0.134 nan 8.290 nan 0.000 0.455 1099 V N 1.382 121.229 119.914 -0.111 0.000 2.231 1099 V HA -0.281 3.839 4.120 0.001 0.000 0.248 1099 V C 1.180 177.237 176.094 -0.061 0.000 1.054 1099 V CA 2.307 64.558 62.300 -0.082 0.000 1.015 1099 V CB -0.238 31.539 31.823 -0.077 0.000 0.638 1099 V HN 0.899 nan 8.190 nan 0.000 0.444 1100 D N -0.096 120.268 120.400 -0.060 0.000 2.417 1100 D HA -0.112 4.528 4.640 0.001 0.000 0.225 1100 D C 1.363 177.641 176.300 -0.038 0.000 0.983 1100 D CA 0.775 54.750 54.000 -0.041 0.000 0.949 1100 D CB -0.217 40.561 40.800 -0.037 0.000 0.879 1100 D HN 0.544 nan 8.370 nan 0.000 0.520 1101 D N -1.067 119.301 120.400 -0.053 0.000 2.379 1101 D HA 0.079 4.720 4.640 0.001 0.000 0.208 1101 D C 1.504 177.782 176.300 -0.036 0.000 1.065 1101 D CA 0.248 54.217 54.000 -0.052 0.000 0.848 1101 D CB 0.615 41.364 40.800 -0.085 0.000 0.949 1101 D HN 0.231 nan 8.370 nan 0.000 0.509 1102 K N -0.157 120.225 120.400 -0.030 0.000 2.380 1102 K HA 0.129 4.450 4.320 0.001 0.000 0.200 1102 K C 0.455 177.066 176.600 0.019 0.000 1.201 1102 K CA -0.533 55.743 56.287 -0.018 0.000 0.916 1102 K CB 0.984 33.462 32.500 -0.036 0.000 1.187 1102 K HN -0.132 nan 8.250 nan 0.000 0.498 1103 I N 3.010 123.588 120.570 0.013 0.000 3.248 1103 I HA -0.235 3.935 4.170 0.001 0.000 0.344 1103 I C -0.238 175.947 176.117 0.113 0.000 1.190 1103 I CA 1.412 62.733 61.300 0.035 0.000 1.489 1103 I CB -0.458 37.549 38.000 0.013 0.000 1.285 1103 I HN 0.247 nan 8.210 nan 0.000 0.516 1104 H N 5.146 124.201 119.070 -0.024 0.000 3.137 1104 H HA 0.751 5.308 4.556 0.001 0.000 0.336 1104 H C -1.470 173.849 175.328 -0.015 0.000 1.055 1104 H CA -0.396 55.641 56.048 -0.019 0.000 1.349 1104 H CB 1.081 30.832 29.762 -0.019 0.000 1.939 1104 H HN 0.676 nan 8.280 nan 0.000 0.487 1105 A N 4.575 127.070 122.820 -0.542 0.000 2.475 1105 A HA 0.851 5.171 4.320 0.001 0.000 0.301 1105 A C -1.035 176.268 177.584 -0.469 0.000 1.059 1105 A CA -0.688 51.051 52.037 -0.496 0.000 0.710 1105 A CB 1.738 20.623 19.000 -0.191 0.000 1.288 1105 A HN 0.864 nan 8.150 nan 0.000 0.408 1106 R N 0.434 120.739 120.500 -0.324 0.000 2.643 1106 R HA 0.744 5.084 4.340 0.001 0.000 0.269 1106 R C -1.665 174.586 176.300 -0.083 0.000 1.037 1106 R CA 0.114 56.133 56.100 -0.134 0.000 0.894 1106 R CB 1.917 32.185 30.300 -0.053 0.000 1.238 1106 R HN 1.660 nan 8.270 nan 0.000 0.459 1107 A N 4.704 127.497 122.820 -0.045 0.000 2.611 1107 A HA 0.527 4.847 4.320 0.001 0.000 0.282 1107 A C -0.802 176.768 177.584 -0.024 0.000 1.114 1107 A CA -0.274 51.741 52.037 -0.036 0.000 0.800 1107 A CB 0.613 19.592 19.000 -0.035 0.000 1.325 1107 A HN 1.113 nan 8.150 nan 0.000 0.411 1108 R N 0.990 121.476 120.500 -0.022 0.000 3.472 1108 R HA 0.057 4.397 4.340 0.001 0.000 0.618 1108 R C 0.241 176.533 176.300 -0.013 0.000 0.316 1108 R CA 1.403 57.492 56.100 -0.019 0.000 1.901 1108 R CB -1.184 29.103 30.300 -0.022 0.000 0.965 1108 R HN 2.665 nan 8.270 nan 0.000 0.608 1109 G N -0.121 108.671 108.800 -0.015 0.000 2.288 1109 G HA2 0.128 4.088 3.960 0.001 0.000 0.227 1109 G HA3 0.128 4.088 3.960 0.001 0.000 0.227 1109 G C -2.796 172.095 174.900 -0.015 0.000 1.339 1109 G CA -0.505 44.587 45.100 -0.012 0.000 1.057 1109 G HN 0.789 nan 8.290 nan 0.000 0.470 1110 P HA 0.159 nan 4.420 nan 0.000 0.257 1110 P C -0.606 176.679 177.300 -0.026 0.000 1.144 1110 P CA 0.792 63.883 63.100 -0.015 0.000 0.761 1110 P CB 0.134 31.830 31.700 -0.007 0.000 0.734 1111 M N 2.188 121.763 119.600 -0.041 0.000 2.383 1111 M HA 0.283 4.764 4.480 0.001 0.000 0.325 1111 M C 0.647 176.901 176.300 -0.077 0.000 1.092 1111 M CA -1.002 54.260 55.300 -0.064 0.000 0.961 1111 M CB 1.762 34.311 32.600 -0.084 0.000 1.672 1111 M HN 0.408 nan 8.290 nan 0.000 0.438 1112 Q N 0.944 120.693 119.800 -0.086 0.000 2.793 1112 Q HA 0.142 4.483 4.340 0.001 0.000 0.220 1112 Q C 0.208 176.135 176.000 -0.122 0.000 1.123 1112 Q CA 0.317 56.068 55.803 -0.088 0.000 1.073 1112 Q CB 0.864 29.552 28.738 -0.084 0.000 1.315 1112 Q HN 0.590 nan 8.270 nan 0.000 0.619 1113 V N 0.793 120.643 119.914 -0.107 0.000 3.151 1113 V HA -0.046 4.075 4.120 0.001 0.000 0.241 1113 V C 1.438 177.448 176.094 -0.141 0.000 1.173 1113 V CA 0.538 62.765 62.300 -0.122 0.000 1.154 1113 V CB -0.073 31.706 31.823 -0.072 0.000 0.898 1113 V HN 0.755 nan 8.190 nan 0.000 0.473 1114 L N 0.320 121.486 121.223 -0.096 0.000 2.044 1114 L HA -0.024 4.317 4.340 0.001 0.000 0.205 1114 L C 2.163 178.975 176.870 -0.096 0.000 1.075 1114 L CA 2.500 57.301 54.840 -0.064 0.000 0.747 1114 L CB -0.780 41.264 42.059 -0.024 0.000 0.903 1114 L HN 0.287 nan 8.230 nan 0.000 0.435 1115 T N -0.935 113.543 114.554 -0.125 0.000 3.010 1115 T HA 0.094 4.444 4.350 0.001 0.000 0.252 1115 T C 0.684 175.192 174.700 -0.320 0.000 1.047 1115 T CA 0.383 62.403 62.100 -0.133 0.000 1.140 1115 T CB 0.102 68.928 68.868 -0.070 0.000 0.885 1115 T HN 0.326 nan 8.240 nan 0.000 0.464 1116 R N 0.515 120.802 120.500 -0.354 0.000 3.854 1116 R HA -0.109 4.232 4.340 0.001 0.000 0.352 1116 R C -0.268 175.900 176.300 -0.221 0.000 1.156 1116 R CA 0.384 56.236 56.100 -0.413 0.000 0.917 1116 R CB -1.890 27.899 30.300 -0.851 0.000 1.471 1116 R HN 0.491 nan 8.270 nan 0.000 0.521 1117 Q N 0.129 119.845 119.800 -0.139 0.000 2.195 1117 Q HA 0.438 4.779 4.340 0.001 0.000 0.250 1117 Q C -2.384 173.578 176.000 -0.064 0.000 0.988 1117 Q CA -2.078 53.679 55.803 -0.077 0.000 0.911 1117 Q CB 1.240 29.950 28.738 -0.046 0.000 1.258 1117 Q HN -0.142 nan 8.270 nan 0.000 0.475 1118 P HA -0.073 nan 4.420 nan 0.000 0.267 1118 P C -0.899 176.390 177.300 -0.020 0.000 1.200 1118 P CA -0.035 63.050 63.100 -0.025 0.000 0.772 1118 P CB 0.426 32.121 31.700 -0.008 0.000 0.855 1119 V N -0.227 119.677 119.914 -0.016 0.000 3.083 1119 V HA 0.346 4.467 4.120 0.001 0.000 0.306 1119 V C 0.170 176.261 176.094 -0.005 0.000 1.077 1119 V CA -0.556 61.734 62.300 -0.016 0.000 1.073 1119 V CB 0.888 32.700 31.823 -0.018 0.000 1.081 1119 V HN 0.534 nan 8.190 nan 0.000 0.474 1120 E N 1.673 121.865 120.200 -0.013 0.000 2.249 1120 E HA 0.571 4.922 4.350 0.001 0.000 0.280 1120 E C -0.017 176.563 176.600 -0.032 0.000 1.016 1120 E CA 0.084 56.475 56.400 -0.015 0.000 0.830 1120 E CB 1.106 30.795 29.700 -0.017 0.000 1.081 1120 E HN 1.857 nan 8.360 nan 0.000 0.395 1121 G N 3.966 112.736 108.800 -0.050 0.000 3.448 1121 G HA2 -0.191 3.770 3.960 0.001 0.000 0.685 1121 G HA3 -0.191 3.770 3.960 0.001 0.000 0.685 1121 G C 0.300 175.087 174.900 -0.189 0.000 1.151 1121 G CA -0.074 44.970 45.100 -0.095 0.000 1.023 1121 G HN 0.796 nan 8.290 nan 0.000 0.499 1122 R N 1.012 121.313 120.500 -0.332 0.000 2.211 1122 R HA -0.135 4.206 4.340 0.001 0.000 0.240 1122 R C 2.515 178.612 176.300 -0.339 0.000 1.144 1122 R CA 2.660 58.348 56.100 -0.686 0.000 0.992 1122 R CB -0.341 29.540 30.300 -0.698 0.000 0.869 1122 R HN 0.966 nan 8.270 nan 0.000 0.462 1123 S N 0.877 116.467 115.700 -0.184 0.000 2.368 1123 S HA -0.126 4.344 4.470 0.001 0.000 0.225 1123 S C 1.773 176.334 174.600 -0.066 0.000 1.030 1123 S CA 1.036 59.179 58.200 -0.094 0.000 0.999 1123 S CB -0.210 62.953 63.200 -0.062 0.000 0.844 1123 S HN 0.464 nan 8.310 nan 0.000 0.459 1124 R N 0.816 121.275 120.500 -0.068 0.000 2.426 1124 R HA 0.173 4.514 4.340 0.001 0.000 0.263 1124 R C -0.134 176.149 176.300 -0.028 0.000 0.961 1124 R CA 0.460 56.539 56.100 -0.036 0.000 1.086 1124 R CB -0.055 30.229 30.300 -0.027 0.000 1.186 1124 R HN 0.327 nan 8.270 nan 0.000 0.537 1125 D N -0.608 119.764 120.400 -0.046 0.000 3.041 1125 D HA -0.124 4.517 4.640 0.001 0.000 0.220 1125 D C 0.356 176.702 176.300 0.076 0.000 1.157 1125 D CA 1.138 55.156 54.000 0.029 0.000 0.876 1125 D CB -0.996 39.826 40.800 0.036 0.000 1.107 1125 D HN 0.428 nan 8.370 nan 0.000 0.422 1126 G N -0.798 108.014 108.800 0.020 0.000 2.647 1126 G HA2 0.494 4.454 3.960 0.001 0.000 0.271 1126 G HA3 0.494 4.454 3.960 0.001 0.000 0.271 1126 G C 0.656 175.667 174.900 0.184 0.000 1.300 1126 G CA 0.139 45.276 45.100 0.061 0.000 0.997 1126 G HN 0.442 nan 8.290 nan 0.000 0.533 1127 G N -1.934 106.938 108.800 0.119 0.000 2.537 1127 G HA2 0.559 4.519 3.960 0.001 0.000 0.323 1127 G HA3 0.559 4.519 3.960 0.001 0.000 0.323 1127 G C -0.054 174.913 174.900 0.111 0.000 1.207 1127 G CA -0.894 44.275 45.100 0.114 0.000 0.976 1127 G HN 0.541 nan 8.290 nan 0.000 0.487 1128 L N -0.819 120.455 121.223 0.086 0.000 2.682 1128 L HA 0.584 4.924 4.340 0.001 0.000 0.209 1128 L C 0.811 177.720 176.870 0.065 0.000 1.195 1128 L CA -0.738 54.149 54.840 0.078 0.000 0.869 1128 L CB 0.466 42.563 42.059 0.063 0.000 1.599 1128 L HN 0.493 nan 8.230 nan 0.000 0.518 1129 R N -0.395 120.139 120.500 0.057 0.000 2.476 1129 R HA 0.272 4.612 4.340 0.001 0.000 0.305 1129 R C -1.407 174.933 176.300 0.067 0.000 0.965 1129 R CA -0.465 55.670 56.100 0.058 0.000 0.867 1129 R CB 0.920 31.231 30.300 0.019 0.000 1.176 1129 R HN 0.362 nan 8.270 nan 0.000 0.447 1130 F N 4.906 124.839 119.950 -0.028 0.000 2.509 1130 F HA 0.418 4.946 4.527 0.001 0.000 0.344 1130 F C 0.634 176.415 175.800 -0.032 0.000 1.197 1130 F CA -0.166 57.813 58.000 -0.034 0.000 1.294 1130 F CB 0.323 39.283 39.000 -0.066 0.000 1.643 1130 F HN 0.737 nan 8.300 nan 0.000 0.596 1131 G N 1.975 110.676 108.800 -0.166 0.000 2.583 1131 G HA2 -0.017 3.943 3.960 0.001 0.000 0.275 1131 G HA3 -0.017 3.943 3.960 0.001 0.000 0.275 1131 G C 0.875 175.688 174.900 -0.146 0.000 1.342 1131 G CA -0.248 44.784 45.100 -0.114 0.000 1.030 1131 G HN 0.554 nan 8.290 nan 0.000 0.520 1132 E N -0.811 119.339 120.200 -0.084 0.000 2.048 1132 E HA -0.219 4.132 4.350 0.001 0.000 0.202 1132 E C 2.704 179.246 176.600 -0.097 0.000 1.021 1132 E CA 1.707 58.068 56.400 -0.065 0.000 0.825 1132 E CB -0.184 29.490 29.700 -0.043 0.000 0.756 1132 E HN 0.481 nan 8.360 nan 0.000 0.454 1133 M N 0.323 119.853 119.600 -0.116 0.000 2.108 1133 M HA -0.183 4.297 4.480 0.001 0.000 0.261 1133 M C 1.999 178.195 176.300 -0.174 0.000 1.066 1133 M CA 1.404 56.634 55.300 -0.116 0.000 1.107 1133 M CB -0.484 32.054 32.600 -0.103 0.000 1.356 1133 M HN -0.050 nan 8.290 nan 0.000 0.406 1134 E N 0.077 120.077 120.200 -0.333 0.000 2.265 1134 E HA -0.129 4.222 4.350 0.001 0.000 0.196 1134 E C 1.919 178.212 176.600 -0.511 0.000 0.996 1134 E CA 0.834 56.877 56.400 -0.595 0.000 0.832 1134 E CB -0.330 28.666 29.700 -1.172 0.000 0.756 1134 E HN 0.389 nan 8.360 nan 0.000 0.491 1135 R N 0.710 121.064 120.500 -0.243 0.000 2.048 1135 R HA -0.107 4.234 4.340 0.001 0.000 0.224 1135 R C 1.120 177.464 176.300 0.074 0.000 1.163 1135 R CA 1.437 57.586 56.100 0.081 0.000 0.956 1135 R CB -0.180 30.174 30.300 0.091 0.000 0.849 1135 R HN 0.039 nan 8.270 nan 0.000 0.435 1136 D N 0.656 121.065 120.400 0.016 0.000 2.218 1136 D HA -0.242 4.398 4.640 0.001 0.000 0.194 1136 D C 1.927 178.248 176.300 0.035 0.000 1.007 1136 D CA 1.456 55.466 54.000 0.017 0.000 0.879 1136 D CB -0.666 40.126 40.800 -0.013 0.000 0.918 1136 D HN 0.298 nan 8.370 nan 0.000 0.449 1137 C N 0.150 119.474 119.300 0.040 0.000 2.453 1137 C HA -0.082 4.378 4.460 0.001 0.000 0.277 1137 C C 2.649 177.763 174.990 0.206 0.000 1.262 1137 C CA 0.408 59.478 59.018 0.088 0.000 1.718 1137 C CB -0.612 27.184 27.740 0.092 0.000 2.031 1137 C HN 0.345 nan 8.230 nan 0.000 0.480 1138 M N 0.562 120.325 119.600 0.271 0.000 2.159 1138 M HA -0.041 4.439 4.480 0.001 0.000 0.263 1138 M C 1.907 178.352 176.300 0.243 0.000 1.063 1138 M CA 1.424 56.933 55.300 0.348 0.000 1.110 1138 M CB -1.338 31.516 32.600 0.423 0.000 1.374 1138 M HN 0.376 nan 8.290 nan 0.000 0.411 1139 I N 0.040 120.706 120.570 0.161 0.000 2.208 1139 I HA -0.286 3.884 4.170 0.001 0.000 0.245 1139 I C 2.559 178.721 176.117 0.076 0.000 1.097 1139 I CA 1.258 62.619 61.300 0.102 0.000 1.363 1139 I CB -0.733 37.307 38.000 0.066 0.000 1.051 1139 I HN 0.224 nan 8.210 nan 0.000 0.413 1140 A N 0.223 123.071 122.820 0.048 0.000 1.858 1140 A HA -0.258 4.062 4.320 0.001 0.000 0.216 1140 A C 2.217 179.784 177.584 -0.028 0.000 1.190 1140 A CA 1.608 53.631 52.037 -0.023 0.000 0.617 1140 A CB -1.047 17.899 19.000 -0.090 0.000 0.827 1140 A HN 0.417 nan 8.150 nan 0.000 0.443 1141 H N -0.982 118.115 119.070 0.046 0.000 2.489 1141 H HA -0.050 4.507 4.556 0.001 0.000 0.295 1141 H C 1.902 177.254 175.328 0.040 0.000 1.082 1141 H CA 1.309 57.382 56.048 0.041 0.000 1.295 1141 H CB -0.294 29.502 29.762 0.057 0.000 1.380 1141 H HN 0.705 nan 8.280 nan 0.000 0.548 1142 G N -0.277 108.617 108.800 0.157 0.000 2.179 1142 G HA2 -0.307 3.653 3.960 0.001 0.000 0.260 1142 G HA3 -0.307 3.653 3.960 0.001 0.000 0.260 1142 G C 0.823 175.795 174.900 0.120 0.000 0.977 1142 G CA 0.464 45.629 45.100 0.107 0.000 0.641 1142 G HN 0.686 nan 8.290 nan 0.000 0.533 1143 A N 0.367 123.289 122.820 0.170 0.000 3.076 1143 A HA 0.718 5.039 4.320 0.001 0.000 0.269 1143 A C 1.962 179.648 177.584 0.171 0.000 1.916 1143 A CA 1.189 53.322 52.037 0.159 0.000 1.492 1143 A CB -0.770 18.340 19.000 0.183 0.000 1.000 1143 A HN 1.853 nan 8.150 nan 0.000 0.615 1144 A N 1.118 124.007 122.820 0.114 0.000 1.837 1144 A HA -0.152 4.169 4.320 0.001 0.000 0.216 1144 A C 2.525 180.155 177.584 0.076 0.000 1.210 1144 A CA 2.314 54.403 52.037 0.085 0.000 0.632 1144 A CB -1.166 17.870 19.000 0.059 0.000 0.843 1144 A HN 0.621 nan 8.150 nan 0.000 0.448 1145 S N -1.095 114.648 115.700 0.072 0.000 2.365 1145 S HA -0.194 4.277 4.470 0.001 0.000 0.225 1145 S C 1.674 176.316 174.600 0.070 0.000 1.039 1145 S CA 1.680 59.913 58.200 0.055 0.000 1.033 1145 S CB -0.619 62.613 63.200 0.053 0.000 0.887 1145 S HN 0.579 nan 8.310 nan 0.000 0.447 1146 F N 2.245 122.168 119.950 -0.045 0.000 2.120 1146 F HA -0.153 4.375 4.527 0.001 0.000 0.300 1146 F C 1.949 177.674 175.800 -0.124 0.000 1.095 1146 F CA 1.202 59.154 58.000 -0.080 0.000 1.249 1146 F CB -0.668 38.293 39.000 -0.066 0.000 0.995 1146 F HN 0.161 nan 8.300 nan 0.000 0.480 1147 L N 0.470 121.598 121.223 -0.159 0.000 1.990 1147 L HA -0.298 4.042 4.340 0.001 0.000 0.213 1147 L C 2.710 179.394 176.870 -0.310 0.000 1.072 1147 L CA 2.300 56.974 54.840 -0.276 0.000 0.755 1147 L CB -0.693 41.356 42.059 -0.018 0.000 0.889 1147 L HN 0.249 nan 8.230 nan 0.000 0.432 1148 K N -0.141 120.160 120.400 -0.164 0.000 2.009 1148 K HA -0.297 4.023 4.320 0.001 0.000 0.210 1148 K C 2.026 178.506 176.600 -0.199 0.000 1.049 1148 K CA 2.029 58.234 56.287 -0.136 0.000 0.929 1148 K CB -0.326 32.136 32.500 -0.064 0.000 0.714 1148 K HN 0.389 nan 8.250 nan 0.000 0.440 1149 E N 0.061 120.137 120.200 -0.206 0.000 2.147 1149 E HA -0.249 4.101 4.350 0.001 0.000 0.199 1149 E C 2.120 178.527 176.600 -0.322 0.000 1.005 1149 E CA 1.248 57.523 56.400 -0.208 0.000 0.810 1149 E CB 0.146 29.768 29.700 -0.131 0.000 0.736 1149 E HN 0.249 nan 8.360 nan 0.000 0.460 1150 R N -0.195 119.961 120.500 -0.573 0.000 2.062 1150 R HA -0.105 4.235 4.340 0.001 0.000 0.229 1150 R C 2.425 178.480 176.300 -0.409 0.000 1.128 1150 R CA 0.672 56.365 56.100 -0.679 0.000 0.960 1150 R CB -0.696 28.799 30.300 -1.343 0.000 0.855 1150 R HN 0.194 nan 8.270 nan 0.000 0.432 1151 L N 0.008 121.032 121.223 -0.331 0.000 2.093 1151 L HA -0.084 4.256 4.340 0.001 0.000 0.208 1151 L C 2.213 179.019 176.870 -0.106 0.000 1.085 1151 L CA 1.586 56.327 54.840 -0.165 0.000 0.755 1151 L CB -0.393 41.601 42.059 -0.109 0.000 0.904 1151 L HN 0.100 nan 8.230 nan 0.000 0.435 1152 M N -1.412 118.121 119.600 -0.110 0.000 2.348 1152 M HA 0.037 4.517 4.480 0.001 0.000 0.206 1152 M C 2.167 178.423 176.300 -0.074 0.000 1.286 1152 M CA 0.779 56.039 55.300 -0.067 0.000 1.229 1152 M CB -1.095 31.471 32.600 -0.056 0.000 1.052 1152 M HN -0.086 nan 8.290 nan 0.000 0.466 1153 E N 1.263 121.409 120.200 -0.090 0.000 2.136 1153 E HA -0.139 4.212 4.350 0.001 0.000 0.202 1153 E C 1.223 177.776 176.600 -0.078 0.000 1.019 1153 E CA 1.811 58.162 56.400 -0.081 0.000 0.819 1153 E CB -0.372 29.279 29.700 -0.081 0.000 0.739 1153 E HN 0.533 nan 8.360 nan 0.000 0.458 1154 A N -0.699 122.057 122.820 -0.106 0.000 2.640 1154 A HA 0.457 4.778 4.320 0.001 0.000 0.282 1154 A C 0.764 178.298 177.584 -0.083 0.000 1.357 1154 A CA 0.552 52.531 52.037 -0.096 0.000 0.946 1154 A CB -0.002 18.923 19.000 -0.125 0.000 1.065 1154 A HN 0.121 nan 8.150 nan 0.000 0.541 1155 S N -1.737 113.924 115.700 -0.064 0.000 4.438 1155 S HA 0.070 4.541 4.470 0.001 0.000 0.233 1155 S C 0.199 174.784 174.600 -0.025 0.000 1.080 1155 S CA 0.490 58.662 58.200 -0.046 0.000 1.101 1155 S CB -0.579 62.590 63.200 -0.051 0.000 1.989 1155 S HN 0.186 nan 8.310 nan 0.000 0.546 1156 D N 1.565 121.961 120.400 -0.006 0.000 2.251 1156 D HA 0.044 4.684 4.640 0.001 0.000 0.215 1156 D C 0.961 177.312 176.300 0.085 0.000 1.047 1156 D CA 2.254 56.279 54.000 0.042 0.000 0.920 1156 D CB -1.153 39.689 40.800 0.071 0.000 1.186 1156 D HN 1.321 nan 8.370 nan 0.000 0.482 1157 A N -0.034 122.845 122.820 0.097 0.000 1.371 1157 A HA -0.144 4.177 4.320 0.001 0.000 0.173 1157 A C -0.340 177.406 177.584 0.271 0.000 1.184 1157 A CA 0.705 52.812 52.037 0.117 0.000 0.625 1157 A CB -1.394 17.619 19.000 0.022 0.000 1.069 1157 A HN 0.330 nan 8.150 nan 0.000 0.142 1158 F N 3.278 123.284 119.950 0.095 0.000 2.631 1158 F HA 0.760 5.287 4.527 0.001 0.000 0.308 1158 F C -0.316 175.574 175.800 0.149 0.000 1.097 1158 F CA -1.280 56.797 58.000 0.129 0.000 0.952 1158 F CB 1.509 40.600 39.000 0.151 0.000 1.307 1158 F HN 0.713 nan 8.300 nan 0.000 0.450 1159 R N 4.740 125.014 120.500 -0.377 0.000 2.310 1159 R HA 0.674 5.014 4.340 0.001 0.000 0.324 1159 R C -1.891 173.895 176.300 -0.857 0.000 0.955 1159 R CA -0.315 55.538 56.100 -0.413 0.000 0.830 1159 R CB 0.863 31.105 30.300 -0.098 0.000 1.154 1159 R HN 0.559 nan 8.270 nan 0.000 0.458 1160 V N 2.453 121.963 119.914 -0.673 0.000 3.019 1160 V HA 0.548 4.669 4.120 0.001 0.000 0.317 1160 V C -0.044 175.776 176.094 -0.458 0.000 1.094 1160 V CA -1.080 60.891 62.300 -0.548 0.000 1.000 1160 V CB 2.176 33.797 31.823 -0.337 0.000 1.060 1160 V HN 0.652 nan 8.190 nan 0.000 0.443 1161 H N 1.355 120.380 119.070 -0.074 0.000 2.472 1161 H HA 0.713 5.270 4.556 0.001 0.000 0.338 1161 H C -0.708 174.623 175.328 0.006 0.000 1.133 1161 H CA -0.235 55.807 56.048 -0.010 0.000 1.216 1161 H CB 2.109 31.924 29.762 0.088 0.000 1.497 1161 H HN 0.532 nan 8.280 nan 0.000 0.500 1162 I N 0.633 121.287 120.570 0.139 0.000 3.067 1162 I HA 0.228 4.399 4.170 0.001 0.000 0.312 1162 I C 0.141 176.309 176.117 0.085 0.000 1.073 1162 I CA -1.026 60.329 61.300 0.092 0.000 1.016 1162 I CB 2.179 40.215 38.000 0.061 0.000 1.227 1162 I HN 0.422 nan 8.210 nan 0.000 0.456 1163 C N 1.910 121.240 119.300 0.051 0.000 2.307 1163 C HA 0.544 5.005 4.460 0.001 0.000 0.340 1163 C C 1.607 176.597 174.990 -0.000 0.000 1.275 1163 C CA -0.243 58.791 59.018 0.025 0.000 1.811 1163 C CB -0.181 27.569 27.740 0.017 0.000 2.372 1163 C HN 1.016 nan 8.230 nan 0.000 0.531 1164 G N 4.353 113.177 108.800 0.040 0.000 2.708 1164 G HA2 0.004 3.964 3.960 0.001 0.000 0.210 1164 G HA3 0.004 3.964 3.960 0.001 0.000 0.210 1164 G C 0.961 175.757 174.900 -0.174 0.000 1.141 1164 G CA 0.651 45.769 45.100 0.031 0.000 0.788 1164 G HN 0.840 nan 8.290 nan 0.000 0.531 1165 I N -0.225 120.270 120.570 -0.124 0.000 3.196 1165 I HA 0.095 4.265 4.170 0.001 0.000 0.248 1165 I C 0.737 176.826 176.117 -0.046 0.000 1.105 1165 I CA 0.269 61.509 61.300 -0.100 0.000 1.482 1165 I CB 0.568 38.551 38.000 -0.029 0.000 1.400 1165 I HN 0.200 nan 8.210 nan 0.000 0.464 1166 c N 1.637 120.245 118.600 0.014 0.000 2.206 1166 c HA 0.634 5.205 4.570 0.001 0.000 0.324 1166 c C 1.170 175.324 174.090 0.106 0.000 1.120 1166 c CA -1.316 55.070 56.329 0.096 0.000 1.546 1166 c CB -0.763 41.782 42.510 0.060 0.000 2.023 1166 c HN 0.575 nan 8.230 nan 0.000 0.448 1167 G N 4.033 112.997 108.800 0.274 0.000 2.554 1167 G HA2 0.283 4.243 3.960 0.001 0.000 0.280 1167 G HA3 0.283 4.243 3.960 0.001 0.000 0.280 1167 G C -0.159 174.782 174.900 0.067 0.000 0.635 1167 G CA 0.413 45.647 45.100 0.223 0.000 2.103 1167 G HN 0.849 nan 8.290 nan 0.000 0.551 1168 L N -0.188 121.059 121.223 0.040 0.000 2.277 1168 L HA 0.446 4.786 4.340 0.001 0.000 0.254 1168 L C 1.320 178.212 176.870 0.037 0.000 1.044 1168 L CA -1.256 53.596 54.840 0.021 0.000 0.842 1168 L CB 1.542 43.617 42.059 0.028 0.000 1.422 1168 L HN 0.062 nan 8.230 nan 0.000 0.422 1169 M N -0.537 119.091 119.600 0.046 0.000 2.561 1169 M HA 0.016 4.497 4.480 0.001 0.000 0.238 1169 M C 1.569 177.914 176.300 0.074 0.000 1.131 1169 M CA 0.351 55.691 55.300 0.066 0.000 1.046 1169 M CB -0.749 31.897 32.600 0.077 0.000 1.532 1169 M HN 0.801 nan 8.290 nan 0.000 0.497 1170 T N 1.049 115.640 114.554 0.062 0.000 2.620 1170 T HA -0.141 4.209 4.350 0.001 0.000 0.267 1170 T C 1.094 175.835 174.700 0.068 0.000 1.044 1170 T CA 0.770 62.905 62.100 0.059 0.000 1.161 1170 T CB -1.044 67.852 68.868 0.047 0.000 0.862 1170 T HN 0.281 nan 8.240 nan 0.000 0.438 1171 V N 2.695 122.658 119.914 0.081 0.000 2.982 1171 V HA -0.142 3.978 4.120 0.001 0.000 0.290 1171 V C 0.721 176.869 176.094 0.090 0.000 1.233 1171 V CA 0.504 62.864 62.300 0.100 0.000 1.336 1171 V CB -0.944 30.968 31.823 0.148 0.000 0.813 1171 V HN 0.442 nan 8.190 nan 0.000 0.460 1172 I N 5.319 125.921 120.570 0.054 0.000 2.206 1172 I HA 0.272 4.442 4.170 0.001 0.000 0.292 1172 I C 1.015 177.085 176.117 -0.078 0.000 1.156 1172 I CA -0.052 61.253 61.300 0.008 0.000 1.356 1172 I CB 0.350 38.351 38.000 0.001 0.000 1.494 1172 I HN 0.773 nan 8.210 nan 0.000 0.601 1173 A N 6.107 128.861 122.820 -0.109 0.000 2.410 1173 A HA 0.192 4.512 4.320 0.001 0.000 0.292 1173 A C 0.943 178.291 177.584 -0.393 0.000 1.232 1173 A CA -0.173 51.612 52.037 -0.419 0.000 0.893 1173 A CB -0.067 18.718 19.000 -0.357 0.000 1.131 1173 A HN 0.629 nan 8.150 nan 0.000 0.530 1174 K N 2.841 122.934 120.400 -0.512 0.000 2.469 1174 K HA 0.176 4.496 4.320 0.001 0.000 0.201 1174 K C 0.066 176.462 176.600 -0.340 0.000 1.028 1174 K CA -0.178 55.923 56.287 -0.310 0.000 1.170 1174 K CB -0.262 32.122 32.500 -0.194 0.000 0.874 1174 K HN 0.815 nan 8.250 nan 0.000 0.507 1175 L N 1.545 122.504 121.223 -0.439 0.000 4.965 1175 L HA -0.363 3.977 4.340 0.001 0.000 0.584 1175 L C 0.876 177.623 176.870 -0.204 0.000 0.860 1175 L CA 0.515 55.197 54.840 -0.263 0.000 0.788 1175 L CB -1.389 40.626 42.059 -0.073 0.000 1.881 1175 L HN 0.441 nan 8.230 nan 0.000 0.796 1176 N N -1.748 116.777 118.700 -0.292 0.000 3.296 1176 N HA 0.052 4.793 4.740 0.001 0.000 0.266 1176 N C 0.978 176.276 175.510 -0.352 0.000 0.984 1176 N CA -0.022 52.806 53.050 -0.369 0.000 1.228 1176 N CB 0.269 38.390 38.487 -0.611 0.000 1.239 1176 N HN 0.337 nan 8.380 nan 0.000 1.043 1177 H N 2.684 121.698 119.070 -0.094 0.000 2.669 1177 H HA 0.257 4.813 4.556 0.001 0.000 0.297 1177 H C 0.050 175.322 175.328 -0.092 0.000 1.071 1177 H CA 0.041 56.044 56.048 -0.074 0.000 1.182 1177 H CB -0.662 29.058 29.762 -0.069 0.000 1.343 1177 H HN 0.310 nan 8.280 nan 0.000 0.582 1178 N N 0.950 119.599 118.700 -0.086 0.000 2.629 1178 N HA -0.244 4.496 4.740 0.001 0.000 0.246 1178 N C 0.011 175.452 175.510 -0.116 0.000 1.176 1178 N CA 0.854 53.860 53.050 -0.073 0.000 0.809 1178 N CB -0.728 37.807 38.487 0.081 0.000 1.175 1178 N HN 0.633 nan 8.380 nan 0.000 0.577 1179 Q N -1.270 118.426 119.800 -0.173 0.000 2.432 1179 Q HA 0.189 4.530 4.340 0.001 0.000 0.264 1179 Q C 0.694 176.476 176.000 -0.363 0.000 1.035 1179 Q CA 0.458 56.185 55.803 -0.127 0.000 0.908 1179 Q CB 0.291 28.980 28.738 -0.081 0.000 1.280 1179 Q HN 0.275 nan 8.270 nan 0.000 0.455 1180 F N -0.781 119.124 119.950 -0.075 0.000 2.671 1180 F HA 0.111 4.638 4.527 0.001 0.000 0.303 1180 F C 0.553 176.304 175.800 -0.081 0.000 0.935 1180 F CA -0.191 57.742 58.000 -0.113 0.000 1.136 1180 F CB 0.680 39.589 39.000 -0.152 0.000 0.929 1180 F HN 0.599 nan 8.300 nan 0.000 0.659 1181 E N -0.538 119.727 120.200 0.108 0.000 6.294 1181 E HA -0.402 3.949 4.350 0.001 0.000 0.173 1181 E C -0.163 176.471 176.600 0.055 0.000 1.511 1181 E CA 1.535 57.968 56.400 0.055 0.000 2.628 1181 E CB -0.341 29.373 29.700 0.023 0.000 1.927 1181 E HN 0.483 nan 8.360 nan 0.000 0.413 1182 C N 1.258 120.579 119.300 0.035 0.000 2.369 1182 C HA 0.067 4.527 4.460 0.001 0.000 0.363 1182 C C -0.942 174.062 174.990 0.024 0.000 1.137 1182 C CA -0.139 58.900 59.018 0.034 0.000 0.631 1182 C CB -1.256 26.505 27.740 0.036 0.000 1.589 1182 C HN 0.629 nan 8.230 nan 0.000 0.776 1183 K N 1.293 121.704 120.400 0.020 0.000 2.620 1183 K HA 0.396 4.717 4.320 0.001 0.000 0.278 1183 K C 1.435 178.045 176.600 0.017 0.000 0.967 1183 K CA 1.778 58.074 56.287 0.015 0.000 1.017 1183 K CB -0.046 32.462 32.500 0.013 0.000 0.853 1183 K HN 1.673 nan 8.250 nan 0.000 0.504 1184 G N 0.324 109.132 108.800 0.014 0.000 4.731 1184 G HA2 -0.330 3.630 3.960 0.001 0.000 0.266 1184 G HA3 -0.330 3.630 3.960 0.001 0.000 0.266 1184 G C 1.127 176.036 174.900 0.015 0.000 1.635 1184 G CA -0.162 44.947 45.100 0.015 0.000 1.229 1184 G HN 0.694 nan 8.290 nan 0.000 0.663 1185 c N 2.482 121.092 118.600 0.017 0.000 2.576 1185 c HA 0.439 5.009 4.570 0.001 0.000 0.267 1185 c C 0.917 175.013 174.090 0.010 0.000 1.364 1185 c CA -0.186 56.151 56.329 0.015 0.000 1.723 1185 c CB -1.165 41.355 42.510 0.017 0.000 1.778 1185 c HN 0.815 nan 8.230 nan 0.000 0.572 1186 D N 2.036 122.443 120.400 0.011 0.000 3.441 1186 D HA -0.178 4.463 4.640 0.001 0.000 0.205 1186 D C 0.050 176.353 176.300 0.005 0.000 1.131 1186 D CA 0.794 54.799 54.000 0.009 0.000 1.030 1186 D CB -0.320 40.484 40.800 0.006 0.000 0.783 1186 D HN 0.560 nan 8.370 nan 0.000 0.389 1187 N N 2.363 121.067 118.700 0.007 0.000 3.100 1187 N HA 0.387 5.128 4.740 0.001 0.000 0.309 1187 N C 0.711 176.223 175.510 0.003 0.000 1.404 1187 N CA 0.141 53.190 53.050 -0.002 0.000 0.727 1187 N CB 0.790 39.273 38.487 -0.008 0.000 1.627 1187 N HN 0.530 nan 8.380 nan 0.000 0.464 1188 K N -1.295 119.107 120.400 0.003 0.000 3.428 1188 K HA 0.024 4.344 4.320 0.001 0.000 0.220 1188 K C 0.763 177.354 176.600 -0.015 0.000 1.061 1188 K CA 0.250 56.551 56.287 0.024 0.000 0.949 1188 K CB -0.909 31.604 32.500 0.021 0.000 1.586 1188 K HN 0.339 nan 8.250 nan 0.000 0.651 1189 I N 0.150 120.687 120.570 -0.054 0.000 3.523 1189 I HA 0.036 4.207 4.170 0.001 0.000 0.244 1189 I C 0.257 176.276 176.117 -0.164 0.000 1.110 1189 I CA -0.074 61.170 61.300 -0.092 0.000 1.517 1189 I CB 0.333 38.293 38.000 -0.067 0.000 1.505 1189 I HN 0.023 nan 8.210 nan 0.000 0.460 1190 D N 2.382 122.697 120.400 -0.141 0.000 2.416 1190 D HA 0.377 5.018 4.640 0.001 0.000 0.240 1190 D C -0.732 175.430 176.300 -0.230 0.000 1.250 1190 D CA 0.479 54.362 54.000 -0.195 0.000 0.967 1190 D CB 0.042 40.790 40.800 -0.087 0.000 1.059 1190 D HN 0.052 nan 8.370 nan 0.000 0.512 1191 I N 3.485 123.795 120.570 -0.433 0.000 2.569 1191 I HA 0.261 4.431 4.170 0.001 0.000 0.290 1191 I C -0.849 174.904 176.117 -0.607 0.000 1.088 1191 I CA -0.895 60.171 61.300 -0.390 0.000 1.047 1191 I CB 1.371 39.126 38.000 -0.409 0.000 1.237 1191 I HN 0.230 nan 8.210 nan 0.000 0.421 1192 Y N 3.470 123.682 120.300 -0.146 0.000 2.654 1192 Y HA 0.569 5.120 4.550 0.001 0.000 0.327 1192 Y C 0.013 175.880 175.900 -0.056 0.000 1.122 1192 Y CA -0.552 57.475 58.100 -0.122 0.000 1.227 1192 Y CB 1.181 39.573 38.460 -0.113 0.000 1.370 1192 Y HN 0.393 nan 8.280 nan 0.000 0.528 1193 Q N 2.200 122.041 119.800 0.068 0.000 2.359 1193 Q HA 0.693 5.033 4.340 0.001 0.000 0.274 1193 Q C -1.733 174.146 176.000 -0.202 0.000 1.074 1193 Q CA -0.733 54.998 55.803 -0.119 0.000 0.810 1193 Q CB 2.657 31.310 28.738 -0.142 0.000 1.342 1193 Q HN 0.810 nan 8.270 nan 0.000 0.427 1194 I N -0.998 119.386 120.570 -0.310 0.000 3.095 1194 I HA 0.568 4.738 4.170 0.001 0.000 0.310 1194 I C -1.418 174.489 176.117 -0.350 0.000 1.196 1194 I CA -1.046 60.082 61.300 -0.286 0.000 0.985 1194 I CB 2.591 40.522 38.000 -0.115 0.000 1.250 1194 I HN 0.564 nan 8.210 nan 0.000 0.446 1195 H N 4.407 123.438 119.070 -0.065 0.000 2.511 1195 H HA 0.756 5.312 4.556 0.001 0.000 0.328 1195 H C -0.737 174.585 175.328 -0.010 0.000 1.044 1195 H CA -0.404 55.613 56.048 -0.051 0.000 1.212 1195 H CB 1.884 31.631 29.762 -0.025 0.000 1.428 1195 H HN 0.746 nan 8.280 nan 0.000 0.483 1196 I N 0.207 120.857 120.570 0.133 0.000 2.913 1196 I HA 0.493 4.663 4.170 0.001 0.000 0.302 1196 I C -2.974 173.220 176.117 0.129 0.000 1.246 1196 I CA -2.679 58.685 61.300 0.107 0.000 1.010 1196 I CB 3.280 41.339 38.000 0.099 0.000 1.259 1196 I HN 0.161 nan 8.210 nan 0.000 0.434 1197 P HA -0.074 nan 4.420 nan 0.000 0.263 1197 P C 0.166 177.550 177.300 0.139 0.000 1.195 1197 P CA 0.421 63.582 63.100 0.102 0.000 0.762 1197 P CB 0.520 32.240 31.700 0.035 0.000 0.799 1198 Y N 4.906 125.265 120.300 0.099 0.000 2.102 1198 Y HA -0.348 4.203 4.550 0.001 0.000 0.280 1198 Y C 2.508 178.399 175.900 -0.016 0.000 1.178 1198 Y CA 2.653 60.789 58.100 0.060 0.000 1.146 1198 Y CB -0.722 37.649 38.460 -0.149 0.000 0.968 1198 Y HN 0.496 nan 8.280 nan 0.000 0.504 1199 A N 0.268 123.217 122.820 0.216 0.000 1.948 1199 A HA -0.271 4.050 4.320 0.001 0.000 0.220 1199 A C 2.383 179.919 177.584 -0.079 0.000 1.177 1199 A CA 2.211 54.301 52.037 0.089 0.000 0.636 1199 A CB -1.542 17.478 19.000 0.033 0.000 0.815 1199 A HN 0.656 nan 8.150 nan 0.000 0.449 1200 A N -0.164 122.560 122.820 -0.160 0.000 1.898 1200 A HA -0.139 4.181 4.320 0.001 0.000 0.216 1200 A C 2.126 179.323 177.584 -0.645 0.000 1.181 1200 A CA 1.944 53.709 52.037 -0.453 0.000 0.620 1200 A CB -0.484 18.295 19.000 -0.369 0.000 0.819 1200 A HN 0.608 nan 8.150 nan 0.000 0.442 1201 K N -0.076 120.157 120.400 -0.279 0.000 1.987 1201 K HA -0.198 4.123 4.320 0.001 0.000 0.216 1201 K C 1.989 178.516 176.600 -0.122 0.000 1.051 1201 K CA 1.914 58.131 56.287 -0.117 0.000 0.942 1201 K CB -0.573 31.831 32.500 -0.160 0.000 0.722 1201 K HN 0.420 nan 8.250 nan 0.000 0.444 1202 L N 1.028 122.155 121.223 -0.160 0.000 1.997 1202 L HA -0.265 4.075 4.340 0.001 0.000 0.216 1202 L C 2.768 179.615 176.870 -0.037 0.000 1.074 1202 L CA 1.478 56.292 54.840 -0.043 0.000 0.763 1202 L CB -0.487 41.601 42.059 0.049 0.000 0.890 1202 L HN 0.396 nan 8.230 nan 0.000 0.434 1203 L N -0.469 120.664 121.223 -0.150 0.000 1.997 1203 L HA -0.313 4.028 4.340 0.001 0.000 0.216 1203 L C 2.195 179.092 176.870 0.044 0.000 1.074 1203 L CA 2.079 56.841 54.840 -0.131 0.000 0.763 1203 L CB -0.739 41.126 42.059 -0.325 0.000 0.890 1203 L HN 0.148 nan 8.230 nan 0.000 0.434 1204 F N -0.680 119.278 119.950 0.013 0.000 2.046 1204 F HA -0.296 4.231 4.527 0.001 0.000 0.297 1204 F C 2.685 178.494 175.800 0.014 0.000 1.123 1204 F CA 1.308 59.314 58.000 0.011 0.000 1.199 1204 F CB -0.602 38.402 39.000 0.007 0.000 0.972 1204 F HN 0.166 nan 8.300 nan 0.000 0.474 1205 Q N 0.433 120.365 119.800 0.220 0.000 2.112 1205 Q HA -0.251 4.089 4.340 0.001 0.000 0.206 1205 Q C 1.992 178.052 176.000 0.100 0.000 0.987 1205 Q CA 1.979 57.859 55.803 0.128 0.000 0.858 1205 Q CB -0.355 28.438 28.738 0.092 0.000 0.905 1205 Q HN 0.557 nan 8.270 nan 0.000 0.420 1206 E N 0.543 120.797 120.200 0.090 0.000 2.058 1206 E HA -0.199 4.152 4.350 0.001 0.000 0.194 1206 E C 2.135 178.779 176.600 0.074 0.000 0.997 1206 E CA 0.986 57.427 56.400 0.069 0.000 0.801 1206 E CB -0.214 29.518 29.700 0.053 0.000 0.746 1206 E HN 0.337 nan 8.360 nan 0.000 0.450 1207 L N 0.309 121.592 121.223 0.100 0.000 2.042 1207 L HA -0.226 4.114 4.340 0.001 0.000 0.210 1207 L C 2.646 179.557 176.870 0.068 0.000 1.076 1207 L CA 1.139 56.033 54.840 0.091 0.000 0.749 1207 L CB -0.320 41.817 42.059 0.130 0.000 0.893 1207 L HN 0.223 nan 8.230 nan 0.000 0.432 1208 M N -0.833 118.812 119.600 0.076 0.000 2.117 1208 M HA -0.189 4.292 4.480 0.001 0.000 0.262 1208 M C 2.459 178.786 176.300 0.045 0.000 1.065 1208 M CA 1.851 57.183 55.300 0.053 0.000 1.114 1208 M CB -0.504 32.131 32.600 0.058 0.000 1.361 1208 M HN 0.300 nan 8.290 nan 0.000 0.408 1209 A N -0.194 122.656 122.820 0.050 0.000 2.076 1209 A HA -0.120 4.201 4.320 0.001 0.000 0.220 1209 A C 1.914 179.518 177.584 0.035 0.000 1.160 1209 A CA 1.331 53.393 52.037 0.041 0.000 0.653 1209 A CB -0.642 18.384 19.000 0.043 0.000 0.801 1209 A HN 0.512 nan 8.150 nan 0.000 0.455 1210 M N -0.667 118.954 119.600 0.036 0.000 2.551 1210 M HA 0.111 4.592 4.480 0.001 0.000 0.252 1210 M C 0.562 176.877 176.300 0.025 0.000 1.219 1210 M CA -0.046 55.272 55.300 0.030 0.000 0.978 1210 M CB -0.255 32.364 32.600 0.031 0.000 1.533 1210 M HN 0.601 nan 8.290 nan 0.000 0.474 1211 N N 1.417 120.132 118.700 0.025 0.000 2.741 1211 N HA -0.187 4.553 4.740 0.001 0.000 0.251 1211 N C -0.743 174.776 175.510 0.015 0.000 1.112 1211 N CA 0.564 53.625 53.050 0.019 0.000 0.750 1211 N CB -0.510 37.987 38.487 0.016 0.000 1.119 1211 N HN 0.424 nan 8.380 nan 0.000 0.561 1212 I N 1.444 122.025 120.570 0.019 0.000 2.412 1212 I HA 0.159 4.330 4.170 0.001 0.000 0.296 1212 I C 0.599 176.718 176.117 0.003 0.000 0.987 1212 I CA -0.428 60.879 61.300 0.011 0.000 1.180 1212 I CB 1.708 39.718 38.000 0.018 0.000 1.340 1212 I HN 0.070 nan 8.210 nan 0.000 0.455 1213 T N 4.116 118.660 114.554 -0.016 0.000 2.770 1213 T HA 0.524 4.874 4.350 0.001 0.000 0.297 1213 T C -2.313 172.337 174.700 -0.083 0.000 0.997 1213 T CA -1.578 60.499 62.100 -0.039 0.000 0.949 1213 T CB 1.005 69.854 68.868 -0.031 0.000 0.941 1213 T HN 0.349 nan 8.240 nan 0.000 0.457 1214 P HA 0.398 nan 4.420 nan 0.000 0.294 1214 P C -0.598 176.525 177.300 -0.296 0.000 1.389 1214 P CA -0.741 62.207 63.100 -0.253 0.000 0.875 1214 P CB 0.853 32.316 31.700 -0.395 0.000 1.018 1215 R N 3.239 123.602 120.500 -0.229 0.000 2.308 1215 R HA 0.423 4.763 4.340 0.001 0.000 0.305 1215 R C 0.014 176.233 176.300 -0.135 0.000 1.053 1215 R CA -0.680 55.325 56.100 -0.159 0.000 0.957 1215 R CB 1.045 31.191 30.300 -0.256 0.000 1.022 1215 R HN 0.551 nan 8.270 nan 0.000 0.461 1216 L N 5.081 126.313 121.223 0.014 0.000 2.283 1216 L HA 0.334 4.674 4.340 0.001 0.000 0.281 1216 L C -0.865 176.163 176.870 0.264 0.000 1.033 1216 L CA -0.599 54.264 54.840 0.039 0.000 0.848 1216 L CB 0.292 42.323 42.059 -0.048 0.000 1.226 1216 L HN 0.386 nan 8.230 nan 0.000 0.429 1217 Y N 0.924 121.146 120.300 -0.130 0.000 2.360 1217 Y HA 0.189 4.739 4.550 0.001 0.000 0.337 1217 Y C 1.544 177.328 175.900 -0.193 0.000 1.039 1217 Y CA -1.393 56.616 58.100 -0.152 0.000 1.109 1217 Y CB 1.963 40.355 38.460 -0.113 0.000 1.201 1217 Y HN 0.516 nan 8.280 nan 0.000 0.458 1218 T N -2.363 112.034 114.554 -0.261 0.000 3.169 1218 T HA 0.156 4.507 4.350 0.001 0.000 0.250 1218 T C -0.600 173.969 174.700 -0.218 0.000 1.111 1218 T CA -0.013 61.892 62.100 -0.324 0.000 1.010 1218 T CB -0.664 67.782 68.868 -0.704 0.000 0.984 1218 T HN 0.550 nan 8.240 nan 0.000 0.537 1219 D N 0.125 120.454 120.400 -0.118 0.000 2.966 1219 D HA 0.243 4.884 4.640 0.001 0.000 0.222 1219 D C -0.399 175.910 176.300 0.016 0.000 1.292 1219 D CA -0.974 52.992 54.000 -0.056 0.000 0.907 1219 D CB 1.052 41.808 40.800 -0.074 0.000 1.621 1219 D HN 0.353 nan 8.370 nan 0.000 0.557 1220 R N 0.622 121.132 120.500 0.017 0.000 2.543 1220 R HA 0.548 4.888 4.340 0.001 0.000 0.277 1220 R C 0.003 176.325 176.300 0.037 0.000 1.074 1220 R CA -0.490 55.631 56.100 0.034 0.000 1.076 1220 R CB 0.584 30.903 30.300 0.031 0.000 0.993 1220 R HN 0.526 nan 8.270 nan 0.000 0.459 1221 S N 0.934 116.661 115.700 0.045 0.000 2.787 1221 S HA 0.098 4.568 4.470 0.001 0.000 0.255 1221 S C 1.131 175.751 174.600 0.033 0.000 1.051 1221 S CA -0.699 57.524 58.200 0.039 0.000 1.124 1221 S CB 0.257 63.489 63.200 0.054 0.000 1.104 1221 S HN 0.778 nan 8.310 nan 0.000 0.623 1222 R N 1.605 122.134 120.500 0.048 0.000 2.393 1222 R HA 0.147 4.487 4.340 0.001 0.000 0.244 1222 R C -0.433 175.924 176.300 0.095 0.000 0.920 1222 R CA 0.239 56.382 56.100 0.072 0.000 1.076 1222 R CB -0.243 30.115 30.300 0.096 0.000 1.119 1222 R HN 0.353 nan 8.270 nan 0.000 0.524 1223 D N -0.386 120.048 120.400 0.057 0.000 3.229 1223 D HA -0.314 4.326 4.640 0.001 0.000 0.214 1223 D C 0.073 176.477 176.300 0.174 0.000 1.556 1223 D CA 2.089 56.111 54.000 0.038 0.000 1.086 1223 D CB -0.387 40.365 40.800 -0.080 0.000 0.676 1223 D HN 0.127 nan 8.370 nan 0.000 0.791 1224 F N 0.000 119.947 119.950 -0.004 0.000 2.286 1224 F HA 0.000 4.527 4.527 0.001 0.000 0.279 1224 F CA 0.000 57.997 58.000 -0.004 0.000 1.383 1224 F CB 0.000 38.996 39.000 -0.006 0.000 1.145 1224 F HN 0.000 nan 8.300 nan 0.000 0.574