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 1i75_1_B DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GScTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG ITAIWISQPV ENIYSVINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTMQDFKN LIDTAHAHNI KVIIDFAPNH TSPASSDDPS DATA SEQUENCE FAENGRLYDN GNLLGGYTND TQNLFHHYGG TDFSTIENGI YKNLYDLADL DATA SEQUENCE NHNNSSVDVY LKDAIKMWLD LGVDGIRVDA VKHMPFGWQK SFMATINNYK DATA SEQUENCE PVFTFGEWFL GVNEISPEYH QFANESGMSL LDFRFAQKAR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS EVDYAQVNDQ VTFIDNHDME RFHTSNGDRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GSEQYMSGGN DPDNRARLPS FSTTTTAYQV IQKLAPLRKS DATA SEQUENCE NPAIAYGSTH ERWINNDVII YERKFGNNVA VVAINRNMNT PASITGLVTS DATA SEQUENCE LPRGSYNDVL GGILNGNTLT VGAGGAASNF TLAPGGTAVW QYTTDATTPI DATA SEQUENCE IGNVGPMMAK PGVTITIDGR GFGSGKGTVY FGTTAVTGAD IVAWEDTQIQ DATA SEQUENCE VKIPAVPGGI YDIRVANAAG AASNIYDNFE VLTGDQVTVR FVINNATTAL DATA SEQUENCE GQNVFLTGNV SELGNWDPNN AIGPMYNQVV YQYPTWYYDV SVPAGQTIEF DATA SEQUENCE KFLKKQGSTV TWEGGANRTF TTPTSGTATV NVNWQP 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.566 177.584 -0.030 0.000 1.274 1 A CA 0.000 52.018 52.037 -0.031 0.000 0.836 1 A CB 0.000 18.971 19.000 -0.049 0.000 0.831 2 P HA 0.226 nan 4.420 nan 0.000 0.276 2 P C -0.001 177.273 177.300 -0.044 0.000 1.252 2 P CA 0.201 63.282 63.100 -0.032 0.000 0.802 2 P CB 0.688 32.367 31.700 -0.034 0.000 1.035 3 D N 0.305 120.687 120.400 -0.031 0.000 2.158 3 D HA -0.177 4.479 4.640 0.027 0.000 0.197 3 D C 1.168 177.431 176.300 -0.062 0.000 0.995 3 D CA 2.216 56.201 54.000 -0.025 0.000 0.846 3 D CB -1.543 39.279 40.800 0.037 0.000 0.941 3 D HN 0.460 nan 8.370 nan 0.000 0.456 4 T N -2.681 111.826 114.554 -0.077 0.000 3.148 4 T HA 0.057 4.424 4.350 0.027 0.000 0.253 4 T C 1.031 175.655 174.700 -0.126 0.000 1.134 4 T CA -0.033 61.998 62.100 -0.115 0.000 1.051 4 T CB -0.231 68.574 68.868 -0.104 0.000 0.959 4 T HN 0.143 nan 8.240 nan 0.000 0.525 5 S N 0.426 116.059 115.700 -0.113 0.000 2.568 5 S HA 0.162 4.648 4.470 0.027 0.000 0.282 5 S C 1.423 175.931 174.600 -0.154 0.000 1.338 5 S CA -0.418 57.712 58.200 -0.117 0.000 1.045 5 S CB 1.119 64.260 63.200 -0.098 0.000 0.873 5 S HN 0.226 nan 8.310 nan 0.000 0.516 6 V N 4.538 124.363 119.914 -0.148 0.000 2.867 6 V HA -0.084 4.053 4.120 0.027 0.000 0.260 6 V C 2.098 178.069 176.094 -0.205 0.000 1.099 6 V CA 2.442 64.638 62.300 -0.173 0.000 1.122 6 V CB -0.812 30.937 31.823 -0.124 0.000 0.708 6 V HN 1.013 nan 8.190 nan 0.000 0.490 7 S N 0.053 115.646 115.700 -0.178 0.000 2.561 7 S HA -0.007 4.479 4.470 0.027 0.000 0.225 7 S C 1.116 175.640 174.600 -0.127 0.000 0.977 7 S CA 0.451 58.550 58.200 -0.168 0.000 0.926 7 S CB -0.651 62.469 63.200 -0.133 0.000 0.769 7 S HN 0.636 nan 8.310 nan 0.000 0.533 8 N N 2.398 121.015 118.700 -0.139 0.000 2.508 8 N HA 0.179 4.935 4.740 0.027 0.000 0.253 8 N C 0.392 175.845 175.510 -0.095 0.000 1.145 8 N CA -0.066 52.919 53.050 -0.107 0.000 0.973 8 N CB 0.295 38.709 38.487 -0.122 0.000 1.305 8 N HN 0.367 nan 8.380 nan 0.000 0.506 9 K N 1.666 122.074 120.400 0.013 0.000 2.432 9 K HA -0.024 4.312 4.320 0.027 0.000 0.196 9 K C 0.916 177.708 176.600 0.319 0.000 1.038 9 K CA 0.672 57.069 56.287 0.183 0.000 0.986 9 K CB 0.443 33.035 32.500 0.153 0.000 0.782 9 K HN 0.438 nan 8.250 nan 0.000 0.485 10 Q N 0.437 120.350 119.800 0.189 0.000 2.204 10 Q HA 0.056 4.413 4.340 0.027 0.000 0.198 10 Q C -0.234 175.906 176.000 0.235 0.000 0.946 10 Q CA 0.891 56.817 55.803 0.205 0.000 0.859 10 Q CB 0.378 29.180 28.738 0.108 0.000 0.946 10 Q HN 0.246 nan 8.270 nan 0.000 0.474 11 N N -0.908 117.877 118.700 0.141 0.000 2.258 11 N HA 0.362 5.118 4.740 0.027 0.000 0.299 11 N C -1.245 174.249 175.510 -0.027 0.000 1.047 11 N CA -0.380 52.685 53.050 0.025 0.000 0.814 11 N CB 1.204 39.694 38.487 0.004 0.000 1.413 11 N HN -0.083 nan 8.380 nan 0.000 0.478 12 F N 0.310 119.880 119.950 -0.633 0.000 2.764 12 F HA 0.239 4.782 4.527 0.026 0.000 0.310 12 F C 1.280 176.816 175.800 -0.440 0.000 1.124 12 F CA -0.360 57.290 58.000 -0.583 0.000 1.252 12 F CB 0.324 38.777 39.000 -0.911 0.000 1.010 12 F HN 0.431 nan 8.300 nan 0.000 0.518 13 S N -1.253 114.326 115.700 -0.202 0.000 2.481 13 S HA -0.130 4.356 4.470 0.027 0.000 0.231 13 S C 2.069 176.470 174.600 -0.331 0.000 0.996 13 S CA 1.363 59.418 58.200 -0.242 0.000 0.942 13 S CB -0.610 62.471 63.200 -0.198 0.000 0.768 13 S HN 0.502 nan 8.310 nan 0.000 0.520 14 T N -0.400 113.957 114.554 -0.329 0.000 3.129 14 T HA 0.110 4.476 4.350 0.027 0.000 0.251 14 T C 0.129 174.684 174.700 -0.241 0.000 1.117 14 T CA -0.133 61.770 62.100 -0.328 0.000 1.034 14 T CB -0.134 68.554 68.868 -0.301 0.000 0.968 14 T HN 0.129 nan 8.240 nan 0.000 0.526 15 D N 0.907 121.179 120.400 -0.213 0.000 2.332 15 D HA 0.512 5.169 4.640 0.027 0.000 0.252 15 D C -0.799 175.452 176.300 -0.082 0.000 1.050 15 D CA -0.448 53.461 54.000 -0.152 0.000 0.970 15 D CB 2.403 43.105 40.800 -0.164 0.000 1.141 15 D HN 0.026 nan 8.370 nan 0.000 0.485 16 V N 1.965 121.859 119.914 -0.033 0.000 2.443 16 V HA 0.322 4.458 4.120 0.027 0.000 0.293 16 V C 0.191 176.348 176.094 0.104 0.000 1.021 16 V CA -0.668 61.639 62.300 0.012 0.000 0.848 16 V CB 1.471 33.282 31.823 -0.020 0.000 0.998 16 V HN 0.353 nan 8.190 nan 0.000 0.424 17 I N 4.499 125.177 120.570 0.179 0.000 2.440 17 I HA 0.381 4.567 4.170 0.027 0.000 0.294 17 I C -0.846 175.479 176.117 0.346 0.000 0.995 17 I CA -0.554 60.926 61.300 0.299 0.000 1.306 17 I CB 1.093 39.312 38.000 0.364 0.000 1.407 17 I HN 0.617 nan 8.210 nan 0.000 0.501 18 Y N 5.552 125.975 120.300 0.206 0.000 2.326 18 Y HA 0.269 4.831 4.550 0.021 0.000 0.331 18 Y C -0.232 175.773 175.900 0.176 0.000 0.962 18 Y CA -0.572 57.624 58.100 0.160 0.000 1.167 18 Y CB 1.104 39.614 38.460 0.083 0.000 1.148 18 Y HN 0.495 nan 8.280 nan 0.000 0.463 19 Q N 7.183 126.917 119.800 -0.109 0.000 2.296 19 Q HA 0.459 4.815 4.340 0.027 0.000 0.257 19 Q C -1.398 174.459 176.000 -0.240 0.000 0.942 19 Q CA -0.339 55.349 55.803 -0.192 0.000 0.939 19 Q CB 0.676 29.226 28.738 -0.314 0.000 1.198 19 Q HN 0.785 nan 8.270 nan 0.000 0.429 20 I N 3.749 124.168 120.570 -0.251 0.000 2.406 20 I HA 0.255 4.441 4.170 0.027 0.000 0.290 20 I C -0.807 175.154 176.117 -0.261 0.000 0.999 20 I CA -0.828 60.271 61.300 -0.335 0.000 1.124 20 I CB 1.203 38.970 38.000 -0.388 0.000 1.289 20 I HN 0.556 nan 8.210 nan 0.000 0.441 21 F N 4.826 124.435 119.950 -0.568 0.000 2.405 21 F HA 0.171 4.717 4.527 0.031 0.000 0.358 21 F C 1.716 177.310 175.800 -0.344 0.000 1.151 21 F CA -0.065 57.732 58.000 -0.339 0.000 1.161 21 F CB 0.866 39.770 39.000 -0.160 0.000 1.245 21 F HN 0.513 nan 8.300 nan 0.000 0.545 22 T N 1.324 115.683 114.554 -0.325 0.000 2.721 22 T HA -0.303 4.063 4.350 0.027 0.000 0.268 22 T C 1.666 176.301 174.700 -0.107 0.000 1.038 22 T CA 2.092 64.016 62.100 -0.294 0.000 1.145 22 T CB -0.207 68.245 68.868 -0.695 0.000 0.858 22 T HN 0.586 nan 8.240 nan 0.000 0.459 23 D N 0.209 120.611 120.400 0.004 0.000 2.312 23 D HA -0.053 4.604 4.640 0.027 0.000 0.211 23 D C 1.877 178.266 176.300 0.149 0.000 0.964 23 D CA 0.589 54.703 54.000 0.190 0.000 0.877 23 D CB 0.191 41.191 40.800 0.333 0.000 0.924 23 D HN 0.070 nan 8.370 nan 0.000 0.515 24 R N -0.746 119.813 120.500 0.098 0.000 2.468 24 R HA 0.143 4.499 4.340 0.027 0.000 0.280 24 R C 0.475 176.811 176.300 0.059 0.000 0.963 24 R CA -0.149 55.990 56.100 0.064 0.000 1.083 24 R CB -0.189 30.163 30.300 0.087 0.000 1.200 24 R HN 0.267 nan 8.270 nan 0.000 0.541 25 F N 0.095 119.986 119.950 -0.099 0.000 2.484 25 F HA 0.339 4.881 4.527 0.024 0.000 0.268 25 F C 0.200 176.102 175.800 0.170 0.000 0.965 25 F CA 0.161 58.164 58.000 0.004 0.000 1.119 25 F CB 0.363 39.350 39.000 -0.023 0.000 1.153 25 F HN -0.235 nan 8.300 nan 0.000 0.689 26 S N 0.194 116.009 115.700 0.192 0.000 2.677 26 S HA 0.235 4.722 4.470 0.027 0.000 0.283 26 S C -1.770 172.898 174.600 0.113 0.000 1.159 26 S CA -0.736 57.507 58.200 0.071 0.000 1.001 26 S CB 0.769 63.919 63.200 -0.083 0.000 1.032 26 S HN 0.263 nan 8.310 nan 0.000 0.487 27 D N 3.612 124.068 120.400 0.094 0.000 2.435 27 D HA 0.348 5.004 4.640 0.027 0.000 0.230 27 D C 1.217 177.558 176.300 0.068 0.000 1.215 27 D CA 0.043 54.104 54.000 0.101 0.000 0.947 27 D CB 0.442 41.315 40.800 0.121 0.000 1.048 27 D HN 0.699 nan 8.370 nan 0.000 0.512 28 G N 3.140 111.981 108.800 0.070 0.000 2.777 28 G HA2 -0.117 3.860 3.960 0.027 0.000 0.211 28 G HA3 -0.117 3.860 3.960 0.027 0.000 0.211 28 G C 0.642 175.570 174.900 0.047 0.000 1.149 28 G CA -0.233 44.897 45.100 0.050 0.000 0.785 28 G HN 0.462 nan 8.290 nan 0.000 0.536 29 N N -0.430 118.300 118.700 0.050 0.000 2.581 29 N HA 0.328 5.085 4.740 0.027 0.000 0.279 29 N C -2.468 173.049 175.510 0.012 0.000 1.124 29 N CA -1.796 51.273 53.050 0.031 0.000 0.833 29 N CB 2.257 40.767 38.487 0.039 0.000 1.338 29 N HN -0.247 nan 8.380 nan 0.000 0.533 30 P HA 0.069 nan 4.420 nan 0.000 0.229 30 P C 0.833 178.082 177.300 -0.086 0.000 1.160 30 P CA 0.651 63.734 63.100 -0.028 0.000 0.777 30 P CB 0.364 32.059 31.700 -0.009 0.000 0.814 31 A N 1.003 123.784 122.820 -0.064 0.000 2.067 31 A HA -0.166 4.170 4.320 0.027 0.000 0.219 31 A C 1.688 179.209 177.584 -0.104 0.000 1.158 31 A CA 1.613 53.602 52.037 -0.080 0.000 0.661 31 A CB -1.257 17.715 19.000 -0.047 0.000 0.801 31 A HN 0.293 nan 8.150 nan 0.000 0.452 32 N N -0.314 118.328 118.700 -0.097 0.000 2.270 32 N HA 0.025 4.781 4.740 0.027 0.000 0.198 32 N C -0.596 174.803 175.510 -0.186 0.000 1.117 32 N CA -0.304 52.675 53.050 -0.118 0.000 0.845 32 N CB -0.567 37.874 38.487 -0.077 0.000 0.980 32 N HN 0.158 nan 8.380 nan 0.000 0.486 33 N N 2.129 120.681 118.700 -0.246 0.000 2.513 33 N HA 0.238 4.994 4.740 0.027 0.000 0.268 33 N C -2.331 172.891 175.510 -0.479 0.000 1.180 33 N CA -1.200 51.615 53.050 -0.392 0.000 0.948 33 N CB 0.241 38.327 38.487 -0.668 0.000 1.083 33 N HN 0.176 nan 8.380 nan 0.000 0.455 34 P HA 0.019 nan 4.420 nan 0.000 0.269 34 P C -0.144 176.959 177.300 -0.328 0.000 1.211 34 P CA 0.089 62.990 63.100 -0.333 0.000 0.781 34 P CB 0.446 31.930 31.700 -0.361 0.000 0.877 35 T N -1.692 112.763 114.554 -0.164 0.000 2.949 35 T HA 0.665 5.031 4.350 0.027 0.000 0.287 35 T C 0.673 175.392 174.700 0.033 0.000 1.034 35 T CA -0.075 61.960 62.100 -0.108 0.000 1.018 35 T CB 1.367 70.165 68.868 -0.117 0.000 1.135 35 T HN 0.719 nan 8.240 nan 0.000 0.532 36 G N 1.178 110.015 108.800 0.061 0.000 2.583 36 G HA2 -0.117 3.860 3.960 0.027 0.000 0.292 36 G HA3 -0.117 3.860 3.960 0.027 0.000 0.292 36 G C 1.254 176.227 174.900 0.122 0.000 1.203 36 G CA 0.867 46.014 45.100 0.078 0.000 0.987 36 G HN 1.801 nan 8.290 nan 0.000 0.554 37 A N -0.267 122.608 122.820 0.092 0.000 2.070 37 A HA 0.376 4.712 4.320 0.027 0.000 0.220 37 A C 2.735 180.395 177.584 0.128 0.000 1.159 37 A CA 2.858 54.951 52.037 0.094 0.000 0.656 37 A CB -0.684 18.358 19.000 0.070 0.000 0.800 37 A HN 2.223 nan 8.150 nan 0.000 0.453 38 A N -2.246 120.674 122.820 0.167 0.000 2.251 38 A HA 0.464 4.800 4.320 0.027 0.000 0.209 38 A C 0.321 178.105 177.584 0.333 0.000 1.187 38 A CA 0.159 52.339 52.037 0.237 0.000 0.823 38 A CB -0.247 18.887 19.000 0.223 0.000 0.846 38 A HN 0.547 nan 8.150 nan 0.000 0.486 39 F N -0.479 119.525 119.950 0.090 0.000 2.556 39 F HA 0.579 5.124 4.527 0.029 0.000 0.314 39 F C -1.710 174.123 175.800 0.054 0.000 1.106 39 F CA -1.426 56.625 58.000 0.085 0.000 0.911 39 F CB 1.866 40.887 39.000 0.035 0.000 1.190 39 F HN -0.028 nan 8.300 nan 0.000 0.448 40 D N 3.410 123.381 120.400 -0.716 0.000 2.402 40 D HA 0.300 4.957 4.640 0.027 0.000 0.252 40 D C 0.861 176.640 176.300 -0.867 0.000 1.294 40 D CA -0.041 53.613 54.000 -0.577 0.000 0.948 40 D CB 1.398 42.033 40.800 -0.275 0.000 1.202 40 D HN 0.704 nan 8.370 nan 0.000 0.561 41 G N 1.764 110.030 108.800 -0.890 0.000 2.450 41 G HA2 -0.246 3.730 3.960 0.027 0.000 0.220 41 G HA3 -0.246 3.730 3.960 0.027 0.000 0.220 41 G C 1.329 176.103 174.900 -0.210 0.000 1.130 41 G CA 1.157 45.976 45.100 -0.468 0.000 0.760 41 G HN 0.540 nan 8.290 nan 0.000 0.557 42 S N -1.576 114.023 115.700 -0.168 0.000 2.522 42 S HA 0.000 4.486 4.470 0.027 0.000 0.227 42 S C 1.332 175.865 174.600 -0.112 0.000 0.986 42 S CA 0.560 58.699 58.200 -0.101 0.000 0.929 42 S CB -0.613 62.546 63.200 -0.069 0.000 0.769 42 S HN 0.807 nan 8.310 nan 0.000 0.529 43 c N 1.776 120.276 118.600 -0.167 0.000 4.235 43 c HA -0.182 4.404 4.570 0.027 0.000 0.301 43 c C 1.550 175.576 174.090 -0.107 0.000 1.409 43 c CA 0.993 57.232 56.329 -0.149 0.000 2.024 43 c CB -2.871 39.571 42.510 -0.113 0.000 1.286 43 c HN 0.783 nan 8.230 nan 0.000 0.746 44 T N -0.572 113.923 114.554 -0.099 0.000 3.009 44 T HA -0.029 4.337 4.350 0.027 0.000 0.258 44 T C 0.760 175.418 174.700 -0.070 0.000 1.063 44 T CA 1.253 63.312 62.100 -0.069 0.000 1.139 44 T CB -0.150 68.686 68.868 -0.054 0.000 0.890 44 T HN 0.715 nan 8.240 nan 0.000 0.471 45 N N 1.808 120.454 118.700 -0.090 0.000 2.527 45 N HA 0.205 4.962 4.740 0.027 0.000 0.236 45 N C 0.366 175.798 175.510 -0.131 0.000 0.999 45 N CA -0.276 52.726 53.050 -0.080 0.000 0.935 45 N CB 0.514 38.963 38.487 -0.063 0.000 1.132 45 N HN 0.209 nan 8.380 nan 0.000 0.511 46 L N 2.602 123.751 121.223 -0.124 0.000 2.675 46 L HA 0.106 4.463 4.340 0.027 0.000 0.238 46 L C 1.596 178.281 176.870 -0.309 0.000 1.155 46 L CA 0.385 55.105 54.840 -0.199 0.000 0.881 46 L CB 0.008 42.001 42.059 -0.110 0.000 1.008 46 L HN 0.386 nan 8.230 nan 0.000 0.443 47 R N -0.861 119.523 120.500 -0.193 0.000 2.397 47 R HA 0.306 4.663 4.340 0.027 0.000 0.241 47 R C 0.175 176.402 176.300 -0.121 0.000 0.914 47 R CA -0.114 55.923 56.100 -0.105 0.000 1.071 47 R CB 0.597 30.950 30.300 0.089 0.000 1.116 47 R HN 0.221 nan 8.270 nan 0.000 0.524 48 L N -0.517 120.583 121.223 -0.206 0.000 2.335 48 L HA 0.390 4.746 4.340 0.027 0.000 0.268 48 L C -0.351 176.423 176.870 -0.160 0.000 1.016 48 L CA -1.224 53.562 54.840 -0.089 0.000 0.805 48 L CB 0.596 42.631 42.059 -0.039 0.000 1.311 48 L HN -0.082 nan 8.230 nan 0.000 0.456 49 Y N -0.797 119.488 120.300 -0.025 0.000 2.442 49 Y HA -0.011 4.555 4.550 0.027 0.000 0.330 49 Y C 0.878 176.688 175.900 -0.150 0.000 1.129 49 Y CA -0.035 58.085 58.100 0.034 0.000 1.365 49 Y CB 0.807 39.396 38.460 0.215 0.000 1.233 49 Y HN 0.519 nan 8.280 nan 0.000 0.529 50 c N 0.851 119.479 118.600 0.047 0.000 2.912 50 c HA 0.334 4.920 4.570 0.027 0.000 0.274 50 c C 1.750 175.917 174.090 0.128 0.000 1.248 50 c CA 0.494 56.752 56.329 -0.119 0.000 1.694 50 c CB -0.457 42.004 42.510 -0.081 0.000 2.024 50 c HN 1.218 nan 8.230 nan 0.000 0.605 51 G N 0.208 109.242 108.800 0.389 0.000 2.284 51 G HA2 -0.038 3.939 3.960 0.027 0.000 0.201 51 G HA3 -0.038 3.939 3.960 0.027 0.000 0.201 51 G C 0.406 175.456 174.900 0.249 0.000 0.998 51 G CA -0.120 45.232 45.100 0.419 0.000 0.651 51 G HN 0.761 nan 8.290 nan 0.000 0.489 52 G N 0.851 109.782 108.800 0.219 0.000 2.432 52 G HA2 0.529 4.505 3.960 0.027 0.000 0.239 52 G HA3 0.529 4.505 3.960 0.027 0.000 0.239 52 G C -0.014 174.973 174.900 0.145 0.000 1.291 52 G CA 1.177 46.380 45.100 0.171 0.000 0.863 52 G HN 1.034 nan 8.290 nan 0.000 0.560 53 D N -0.469 119.998 120.400 0.111 0.000 2.759 53 D HA 0.217 4.873 4.640 0.027 0.000 0.321 53 D C 0.435 176.819 176.300 0.140 0.000 1.267 53 D CA -0.873 53.145 54.000 0.030 0.000 0.933 53 D CB 0.197 41.025 40.800 0.047 0.000 1.431 53 D HN 0.307 nan 8.370 nan 0.000 0.504 54 W N -0.453 120.915 121.300 0.114 0.000 2.418 54 W HA -0.002 4.673 4.660 0.025 0.000 0.292 54 W C 2.095 178.661 176.519 0.078 0.000 1.213 54 W CA 0.903 58.302 57.345 0.090 0.000 1.283 54 W CB -0.958 28.586 29.460 0.140 0.000 1.119 54 W HN 0.526 nan 8.180 nan 0.000 0.542 55 Q N 0.425 120.399 119.800 0.290 0.000 2.135 55 Q HA -0.086 4.270 4.340 0.027 0.000 0.204 55 Q C 2.340 178.422 176.000 0.136 0.000 0.981 55 Q CA 2.353 58.262 55.803 0.176 0.000 0.856 55 Q CB -1.014 27.803 28.738 0.133 0.000 0.902 55 Q HN 0.171 nan 8.270 nan 0.000 0.425 56 G N -0.028 108.862 108.800 0.151 0.000 2.422 56 G HA2 -0.160 3.816 3.960 0.027 0.000 0.218 56 G HA3 -0.160 3.816 3.960 0.027 0.000 0.218 56 G C 1.382 176.396 174.900 0.190 0.000 1.140 56 G CA 0.832 46.006 45.100 0.124 0.000 0.775 56 G HN 0.428 nan 8.290 nan 0.000 0.545 57 I N 0.241 120.974 120.570 0.271 0.000 2.406 57 I HA -0.019 4.167 4.170 0.027 0.000 0.249 57 I C 2.543 178.750 176.117 0.150 0.000 1.122 57 I CA 0.460 61.935 61.300 0.293 0.000 1.431 57 I CB -0.146 37.980 38.000 0.210 0.000 1.087 57 I HN 0.106 nan 8.210 nan 0.000 0.424 58 I N 1.252 121.882 120.570 0.100 0.000 2.208 58 I HA -0.318 3.869 4.170 0.027 0.000 0.245 58 I C 2.135 178.253 176.117 0.000 0.000 1.097 58 I CA 1.396 62.713 61.300 0.029 0.000 1.363 58 I CB -0.508 37.518 38.000 0.044 0.000 1.051 58 I HN 0.308 nan 8.210 nan 0.000 0.413 59 N N 0.768 119.475 118.700 0.010 0.000 2.223 59 N HA -0.140 4.616 4.740 0.027 0.000 0.185 59 N C 1.631 177.097 175.510 -0.073 0.000 1.016 59 N CA 1.048 54.075 53.050 -0.039 0.000 0.863 59 N CB -0.211 38.240 38.487 -0.060 0.000 0.983 59 N HN 0.271 nan 8.380 nan 0.000 0.429 60 K N 0.544 120.923 120.400 -0.034 0.000 2.418 60 K HA 0.168 4.504 4.320 0.027 0.000 0.195 60 K C 1.871 178.500 176.600 0.049 0.000 1.035 60 K CA 0.093 56.372 56.287 -0.014 0.000 1.003 60 K CB 0.165 32.730 32.500 0.109 0.000 0.793 60 K HN 0.297 nan 8.250 nan 0.000 0.494 61 I N 1.139 121.695 120.570 -0.024 0.000 2.400 61 I HA -0.199 3.988 4.170 0.027 0.000 0.248 61 I C 1.623 177.582 176.117 -0.262 0.000 1.109 61 I CA 0.748 61.955 61.300 -0.154 0.000 1.425 61 I CB -0.131 37.728 38.000 -0.235 0.000 1.094 61 I HN 0.075 nan 8.210 nan 0.000 0.425 62 N N 1.133 119.706 118.700 -0.210 0.000 2.270 62 N HA -0.154 4.603 4.740 0.027 0.000 0.181 62 N C 1.157 176.637 175.510 -0.050 0.000 1.016 62 N CA 1.445 54.413 53.050 -0.138 0.000 0.870 62 N CB -0.365 38.086 38.487 -0.060 0.000 0.979 62 N HN 0.494 nan 8.380 nan 0.000 0.431 63 D N -1.183 119.189 120.400 -0.046 0.000 2.340 63 D HA 0.122 4.779 4.640 0.027 0.000 0.220 63 D C 1.167 177.474 176.300 0.012 0.000 1.039 63 D CA 0.598 54.584 54.000 -0.023 0.000 0.866 63 D CB -0.246 40.518 40.800 -0.059 0.000 0.913 63 D HN 0.203 nan 8.370 nan 0.000 0.523 64 G N -0.435 108.377 108.800 0.020 0.000 2.175 64 G HA2 -0.417 3.559 3.960 0.027 0.000 0.244 64 G HA3 -0.417 3.559 3.960 0.027 0.000 0.244 64 G C 0.623 175.577 174.900 0.090 0.000 0.982 64 G CA 0.286 45.413 45.100 0.045 0.000 0.641 64 G HN 0.344 nan 8.290 nan 0.000 0.527 65 Y N 0.936 121.241 120.300 0.009 0.000 2.089 65 Y HA 0.087 4.649 4.550 0.020 0.000 0.282 65 Y C 2.679 178.655 175.900 0.128 0.000 1.139 65 Y CA 2.456 60.615 58.100 0.097 0.000 1.123 65 Y CB -0.357 38.122 38.460 0.031 0.000 0.980 65 Y HN 0.283 nan 8.280 nan 0.000 0.493 66 L N -0.772 120.468 121.223 0.028 0.000 2.072 66 L HA -0.161 4.195 4.340 0.027 0.000 0.205 66 L C 2.532 179.305 176.870 -0.162 0.000 1.079 66 L CA 1.752 56.503 54.840 -0.149 0.000 0.752 66 L CB -1.066 40.964 42.059 -0.050 0.000 0.906 66 L HN 0.361 nan 8.230 nan 0.000 0.436 67 T N -3.186 111.325 114.554 -0.072 0.000 2.867 67 T HA -0.084 4.283 4.350 0.027 0.000 0.268 67 T C 1.909 176.576 174.700 -0.056 0.000 1.057 67 T CA 0.939 63.010 62.100 -0.049 0.000 1.136 67 T CB -0.791 68.085 68.868 0.013 0.000 0.874 67 T HN 0.375 nan 8.240 nan 0.000 0.466 68 G N 0.623 109.408 108.800 -0.024 0.000 2.470 68 G HA2 -0.056 3.920 3.960 0.027 0.000 0.220 68 G HA3 -0.056 3.920 3.960 0.027 0.000 0.220 68 G C 1.472 176.340 174.900 -0.053 0.000 1.121 68 G CA 0.533 45.658 45.100 0.042 0.000 0.766 68 G HN 0.504 nan 8.290 nan 0.000 0.553 69 M N -0.019 119.386 119.600 -0.325 0.000 2.506 69 M HA 0.214 4.710 4.480 0.027 0.000 0.260 69 M C 1.785 177.859 176.300 -0.377 0.000 1.104 69 M CA 1.000 55.878 55.300 -0.703 0.000 1.112 69 M CB 0.334 32.383 32.600 -0.918 0.000 1.401 69 M HN 0.366 nan 8.290 nan 0.000 0.473 70 G N 1.221 109.886 108.800 -0.225 0.000 2.157 70 G HA2 -0.194 3.782 3.960 0.027 0.000 0.248 70 G HA3 -0.194 3.782 3.960 0.027 0.000 0.248 70 G C 0.024 174.846 174.900 -0.131 0.000 0.979 70 G CA -0.289 44.721 45.100 -0.151 0.000 0.650 70 G HN 0.357 nan 8.290 nan 0.000 0.529 71 I N 2.058 122.537 120.570 -0.150 0.000 2.710 71 I HA 0.209 4.395 4.170 0.027 0.000 0.286 71 I C 1.812 177.899 176.117 -0.050 0.000 1.181 71 I CA 1.597 62.845 61.300 -0.087 0.000 1.430 71 I CB 0.820 38.735 38.000 -0.141 0.000 1.367 71 I HN 0.394 nan 8.210 nan 0.000 0.577 72 T N 1.890 116.432 114.554 -0.021 0.000 3.091 72 T HA 0.653 5.020 4.350 0.027 0.000 0.277 72 T C 0.152 174.855 174.700 0.004 0.000 0.996 72 T CA -0.095 61.986 62.100 -0.033 0.000 0.897 72 T CB 0.303 69.119 68.868 -0.086 0.000 1.109 72 T HN 0.714 nan 8.240 nan 0.000 0.534 73 A N 1.681 124.557 122.820 0.093 0.000 2.566 73 A HA 0.749 5.086 4.320 0.027 0.000 0.297 73 A C -1.021 176.716 177.584 0.256 0.000 1.059 73 A CA -1.213 50.940 52.037 0.192 0.000 0.691 73 A CB 1.102 20.296 19.000 0.323 0.000 1.282 73 A HN 0.680 nan 8.150 nan 0.000 0.401 74 I N -1.752 118.975 120.570 0.262 0.000 2.603 74 I HA 0.880 5.066 4.170 0.027 0.000 0.300 74 I C -0.939 175.401 176.117 0.372 0.000 1.017 74 I CA -0.773 60.694 61.300 0.279 0.000 1.098 74 I CB 1.985 40.076 38.000 0.153 0.000 1.279 74 I HN 0.755 nan 8.210 nan 0.000 0.437 75 W N 8.466 129.861 121.300 0.158 0.000 2.554 75 W HA 0.755 5.434 4.660 0.031 0.000 0.324 75 W C -1.566 174.994 176.519 0.068 0.000 1.018 75 W CA -1.901 55.532 57.345 0.147 0.000 1.243 75 W CB 0.921 30.512 29.460 0.218 0.000 1.345 75 W HN 0.652 nan 8.180 nan 0.000 0.441 76 I N 2.489 123.227 120.570 0.280 0.000 2.910 76 I HA 0.670 4.857 4.170 0.027 0.000 0.310 76 I C 0.453 176.566 176.117 -0.007 0.000 1.043 76 I CA -1.031 60.287 61.300 0.030 0.000 1.053 76 I CB 1.731 39.770 38.000 0.065 0.000 1.242 76 I HN 0.209 nan 8.210 nan 0.000 0.452 77 S N 1.909 117.466 115.700 -0.239 0.000 2.550 77 S HA -0.076 4.410 4.470 0.027 0.000 0.285 77 S C 0.056 174.616 174.600 -0.066 0.000 1.326 77 S CA -0.222 57.784 58.200 -0.324 0.000 1.037 77 S CB 0.132 63.025 63.200 -0.512 0.000 0.838 77 S HN 0.729 nan 8.310 nan 0.000 0.519 78 Q N 2.993 122.746 119.800 -0.078 0.000 2.269 78 Q HA -0.015 4.342 4.340 0.027 0.000 0.300 78 Q C -1.440 174.608 176.000 0.079 0.000 1.070 78 Q CA -1.053 54.743 55.803 -0.011 0.000 0.957 78 Q CB 0.571 29.282 28.738 -0.047 0.000 1.131 78 Q HN 0.365 nan 8.270 nan 0.000 0.377 79 P HA -0.034 nan 4.420 nan 0.000 0.240 79 P C 0.364 177.738 177.300 0.124 0.000 1.190 79 P CA 0.303 63.522 63.100 0.197 0.000 0.781 79 P CB -0.028 31.521 31.700 -0.251 0.000 0.931 80 V N -1.484 118.386 119.914 -0.073 0.000 3.003 80 V HA 0.256 4.393 4.120 0.027 0.000 0.305 80 V C 0.418 176.478 176.094 -0.056 0.000 1.078 80 V CA -0.980 61.341 62.300 0.035 0.000 1.083 80 V CB 0.313 32.100 31.823 -0.060 0.000 1.039 80 V HN -0.036 nan 8.190 nan 0.000 0.481 81 E N 3.134 123.324 120.200 -0.017 0.000 2.417 81 E HA 0.072 4.438 4.350 0.027 0.000 0.261 81 E C -0.109 176.362 176.600 -0.214 0.000 1.000 81 E CA 0.132 56.468 56.400 -0.107 0.000 0.919 81 E CB 0.229 29.917 29.700 -0.020 0.000 0.955 81 E HN 0.885 nan 8.360 nan 0.000 0.455 82 N N 3.127 121.635 118.700 -0.321 0.000 2.485 82 N HA 0.290 5.046 4.740 0.027 0.000 0.280 82 N C 0.121 175.373 175.510 -0.429 0.000 1.205 82 N CA -0.741 52.135 53.050 -0.290 0.000 0.959 82 N CB 0.980 39.308 38.487 -0.265 0.000 1.206 82 N HN 0.459 nan 8.380 nan 0.000 0.545 83 I N -1.047 119.403 120.570 -0.199 0.000 2.892 83 I HA -0.030 4.156 4.170 0.027 0.000 0.287 83 I C 0.070 175.985 176.117 -0.337 0.000 1.205 83 I CA 0.041 61.225 61.300 -0.194 0.000 1.409 83 I CB 0.247 38.244 38.000 -0.005 0.000 1.367 83 I HN 0.595 nan 8.210 nan 0.000 0.597 84 Y N 1.858 122.180 120.300 0.035 0.000 2.478 84 Y HA 0.166 4.732 4.550 0.027 0.000 0.261 84 Y C 1.534 177.461 175.900 0.045 0.000 1.127 84 Y CA -0.065 58.051 58.100 0.026 0.000 1.288 84 Y CB -0.242 38.201 38.460 -0.028 0.000 1.084 84 Y HN 0.561 nan 8.280 nan 0.000 0.530 85 S N 0.668 116.444 115.700 0.127 0.000 2.558 85 S HA 0.138 4.624 4.470 0.027 0.000 0.288 85 S C -0.029 174.627 174.600 0.093 0.000 1.318 85 S CA -0.330 57.901 58.200 0.053 0.000 1.056 85 S CB 0.877 64.028 63.200 -0.083 0.000 0.853 85 S HN -0.056 nan 8.310 nan 0.000 0.505 86 V N 4.711 124.664 119.914 0.065 0.000 2.350 86 V HA 0.362 4.499 4.120 0.027 0.000 0.276 86 V C 0.083 176.179 176.094 0.003 0.000 1.028 86 V CA -0.402 61.951 62.300 0.089 0.000 0.860 86 V CB 0.646 32.522 31.823 0.088 0.000 0.990 86 V HN 0.693 nan 8.190 nan 0.000 0.453 87 I N 4.629 125.189 120.570 -0.016 0.000 2.437 87 I HA 0.383 4.569 4.170 0.027 0.000 0.298 87 I C 0.277 176.288 176.117 -0.176 0.000 0.984 87 I CA -0.340 60.841 61.300 -0.199 0.000 1.214 87 I CB 1.406 39.160 38.000 -0.411 0.000 1.365 87 I HN 0.538 nan 8.210 nan 0.000 0.469 88 N N 5.752 124.344 118.700 -0.179 0.000 2.501 88 N HA 0.208 4.964 4.740 0.027 0.000 0.245 88 N C -1.704 173.736 175.510 -0.118 0.000 0.974 88 N CA -0.376 52.627 53.050 -0.080 0.000 0.941 88 N CB 0.749 39.232 38.487 -0.007 0.000 1.122 88 N HN 0.355 nan 8.380 nan 0.000 0.507 89 Y N 1.883 122.255 120.300 0.121 0.000 2.504 89 Y HA 0.147 4.713 4.550 0.027 0.000 0.339 89 Y C 0.778 176.713 175.900 0.059 0.000 0.974 89 Y CA -0.635 57.519 58.100 0.091 0.000 1.232 89 Y CB 0.708 39.226 38.460 0.097 0.000 1.108 89 Y HN 0.492 nan 8.280 nan 0.000 0.509 90 S N 1.982 117.794 115.700 0.187 0.000 3.631 90 S HA -0.189 4.298 4.470 0.027 0.000 0.366 90 S C 1.355 176.006 174.600 0.085 0.000 0.993 90 S CA 1.063 59.328 58.200 0.109 0.000 1.167 90 S CB -1.563 61.694 63.200 0.095 0.000 0.909 90 S HN 1.518 nan 8.310 nan 0.000 0.478 91 G N -1.864 106.981 108.800 0.076 0.000 2.358 91 G HA2 -0.280 3.696 3.960 0.027 0.000 0.224 91 G HA3 -0.280 3.696 3.960 0.027 0.000 0.224 91 G C 0.095 175.037 174.900 0.070 0.000 1.073 91 G CA -0.224 44.912 45.100 0.060 0.000 0.635 91 G HN 1.377 nan 8.290 nan 0.000 0.509 92 V N 2.809 122.782 119.914 0.100 0.000 2.488 92 V HA 0.439 4.575 4.120 0.027 0.000 0.277 92 V C 0.344 176.511 176.094 0.122 0.000 1.046 92 V CA -0.894 61.472 62.300 0.110 0.000 0.986 92 V CB 1.297 33.201 31.823 0.134 0.000 0.989 92 V HN 0.387 nan 8.190 nan 0.000 0.475 93 N N 4.287 123.045 118.700 0.097 0.000 2.530 93 N HA 0.365 5.121 4.740 0.027 0.000 0.277 93 N C -0.415 175.184 175.510 0.148 0.000 1.168 93 N CA -0.050 53.058 53.050 0.097 0.000 0.979 93 N CB 0.707 39.240 38.487 0.077 0.000 1.141 93 N HN 0.722 nan 8.380 nan 0.000 0.459 94 N N -0.477 118.333 118.700 0.183 0.000 2.308 94 N HA 0.382 5.138 4.740 0.027 0.000 0.283 94 N C -0.996 174.698 175.510 0.306 0.000 1.105 94 N CA -0.392 52.833 53.050 0.292 0.000 0.840 94 N CB 2.304 41.091 38.487 0.501 0.000 1.633 94 N HN 0.562 nan 8.380 nan 0.000 0.476 95 T N -2.683 112.000 114.554 0.214 0.000 2.864 95 T HA 0.577 4.943 4.350 0.027 0.000 0.289 95 T C 0.380 174.839 174.700 -0.402 0.000 1.082 95 T CA -0.729 61.447 62.100 0.126 0.000 1.009 95 T CB 1.611 70.567 68.868 0.147 0.000 1.234 95 T HN 0.364 nan 8.240 nan 0.000 0.526 96 A N 0.454 122.982 122.820 -0.487 0.000 2.324 96 A HA 0.256 4.593 4.320 0.027 0.000 0.240 96 A C 1.292 178.109 177.584 -1.279 0.000 1.347 96 A CA -0.090 51.323 52.037 -1.040 0.000 1.036 96 A CB -1.761 17.044 19.000 -0.325 0.000 0.917 96 A HN 0.953 nan 8.150 nan 0.000 0.519 97 Y N -0.191 119.251 120.300 -1.430 0.000 2.315 97 Y HA -0.311 4.256 4.550 0.028 0.000 0.288 97 Y C 1.808 177.313 175.900 -0.659 0.000 1.154 97 Y CA 1.743 59.047 58.100 -1.327 0.000 1.229 97 Y CB -1.052 36.828 38.460 -0.967 0.000 0.980 97 Y HN 0.641 nan 8.280 nan 0.000 0.540 98 H N -1.320 116.897 119.070 -1.421 0.000 2.551 98 H HA 0.359 4.931 4.556 0.026 0.000 0.266 98 H C 1.921 176.565 175.328 -1.140 0.000 0.977 98 H CA -0.216 55.075 56.048 -1.262 0.000 1.163 98 H CB -0.537 28.495 29.762 -1.217 0.000 1.381 98 H HN 0.431 nan 8.280 nan 0.000 0.581 99 G N -0.089 108.285 108.800 -0.709 0.000 2.159 99 G HA2 -0.364 3.612 3.960 0.027 0.000 0.256 99 G HA3 -0.364 3.612 3.960 0.027 0.000 0.256 99 G C 0.281 175.008 174.900 -0.288 0.000 0.977 99 G CA 0.537 45.388 45.100 -0.414 0.000 0.652 99 G HN 0.506 nan 8.290 nan 0.000 0.531 100 Y N -1.486 118.861 120.300 0.078 0.000 2.466 100 Y HA 0.383 4.948 4.550 0.026 0.000 0.272 100 Y C 0.929 177.051 175.900 0.370 0.000 1.169 100 Y CA -0.890 57.294 58.100 0.140 0.000 1.285 100 Y CB 0.285 38.764 38.460 0.032 0.000 1.078 100 Y HN 0.387 nan 8.280 nan 0.000 0.523 101 W N 1.498 122.923 121.300 0.208 0.000 2.101 101 W HA 0.693 5.371 4.660 0.030 0.000 0.301 101 W C 0.137 176.633 176.519 -0.039 0.000 0.846 101 W CA -2.143 55.282 57.345 0.132 0.000 1.823 101 W CB -0.526 28.992 29.460 0.097 0.000 2.007 101 W HN -0.163 nan 8.180 nan 0.000 0.373 102 A N 2.136 124.989 122.820 0.055 0.000 2.498 102 A HA 0.359 4.696 4.320 0.027 0.000 0.239 102 A C 1.372 178.888 177.584 -0.114 0.000 1.068 102 A CA 0.195 52.078 52.037 -0.256 0.000 0.766 102 A CB 0.518 18.970 19.000 -0.913 0.000 1.003 102 A HN 0.658 nan 8.150 nan 0.000 0.497 103 R N 0.218 120.661 120.500 -0.095 0.000 2.435 103 R HA 0.286 4.642 4.340 0.027 0.000 0.221 103 R C -0.770 175.654 176.300 0.207 0.000 0.885 103 R CA 0.102 56.271 56.100 0.114 0.000 1.018 103 R CB 0.618 31.009 30.300 0.153 0.000 1.259 103 R HN 0.527 nan 8.270 nan 0.000 0.597 104 D N -0.006 120.436 120.400 0.070 0.000 2.763 104 D HA 0.173 4.829 4.640 0.027 0.000 0.235 104 D C -0.727 175.695 176.300 0.204 0.000 1.334 104 D CA -0.707 53.450 54.000 0.262 0.000 0.950 104 D CB 1.157 42.099 40.800 0.237 0.000 1.433 104 D HN -0.019 nan 8.370 nan 0.000 0.580 105 F N 1.904 122.089 119.950 0.393 0.000 2.811 105 F HA 0.188 4.731 4.527 0.027 0.000 0.301 105 F C 2.009 178.089 175.800 0.466 0.000 1.151 105 F CA 0.448 58.657 58.000 0.349 0.000 1.412 105 F CB 0.371 39.507 39.000 0.227 0.000 1.113 105 F HN 0.136 nan 8.300 nan 0.000 0.579 106 K N -0.316 120.372 120.400 0.480 0.000 2.374 106 K HA 0.170 4.507 4.320 0.027 0.000 0.202 106 K C 0.240 176.961 176.600 0.201 0.000 1.040 106 K CA 0.150 56.612 56.287 0.292 0.000 1.085 106 K CB 0.613 33.243 32.500 0.216 0.000 0.873 106 K HN 0.134 nan 8.250 nan 0.000 0.539 107 K N 0.651 121.220 120.400 0.282 0.000 2.395 107 K HA 0.250 4.587 4.320 0.027 0.000 0.245 107 K C -0.202 176.594 176.600 0.326 0.000 1.017 107 K CA -0.740 55.675 56.287 0.213 0.000 0.852 107 K CB 1.831 34.420 32.500 0.149 0.000 1.311 107 K HN -0.065 nan 8.250 nan 0.000 0.452 108 T N -1.505 113.227 114.554 0.297 0.000 2.902 108 T HA 0.177 4.543 4.350 0.027 0.000 0.280 108 T C 0.177 174.962 174.700 0.142 0.000 0.992 108 T CA -0.859 61.466 62.100 0.375 0.000 1.015 108 T CB 0.818 69.990 68.868 0.507 0.000 1.044 108 T HN 0.448 nan 8.240 nan 0.000 0.520 109 N N 1.977 120.681 118.700 0.007 0.000 2.420 109 N HA 0.201 4.957 4.740 0.027 0.000 0.262 109 N C -1.863 173.486 175.510 -0.269 0.000 1.144 109 N CA -2.186 50.714 53.050 -0.250 0.000 0.952 109 N CB 1.008 39.136 38.487 -0.598 0.000 1.081 109 N HN 0.286 nan 8.380 nan 0.000 0.480 110 P HA -0.095 nan 4.420 nan 0.000 0.219 110 P C 0.685 177.865 177.300 -0.200 0.000 1.146 110 P CA 1.195 64.230 63.100 -0.109 0.000 0.808 110 P CB 0.204 31.889 31.700 -0.025 0.000 0.779 111 A N -1.964 120.666 122.820 -0.318 0.000 2.015 111 A HA -0.187 4.149 4.320 0.027 0.000 0.219 111 A C 1.667 179.148 177.584 -0.172 0.000 1.163 111 A CA 1.301 53.152 52.037 -0.311 0.000 0.646 111 A CB -1.398 17.294 19.000 -0.513 0.000 0.806 111 A HN 0.123 nan 8.150 nan 0.000 0.448 112 Y N -0.864 119.164 120.300 -0.453 0.000 2.301 112 Y HA 0.391 4.957 4.550 0.028 0.000 0.295 112 Y C 1.552 176.917 175.900 -0.891 0.000 1.119 112 Y CA 0.126 57.701 58.100 -0.875 0.000 1.162 112 Y CB -0.623 36.937 38.460 -1.501 0.000 1.046 112 Y HN 0.392 nan 8.280 nan 0.000 0.538 113 G N -1.118 107.380 108.800 -0.502 0.000 2.320 113 G HA2 0.333 4.309 3.960 0.027 0.000 0.297 113 G HA3 0.333 4.309 3.960 0.027 0.000 0.297 113 G C -0.749 174.276 174.900 0.209 0.000 1.344 113 G CA -0.459 44.644 45.100 0.005 0.000 0.851 113 G HN 0.152 nan 8.290 nan 0.000 0.567 114 T N -1.682 113.067 114.554 0.325 0.000 2.810 114 T HA 0.474 4.840 4.350 0.027 0.000 0.277 114 T C 1.714 176.675 174.700 0.436 0.000 0.973 114 T CA -0.294 61.982 62.100 0.294 0.000 0.949 114 T CB 1.013 69.994 68.868 0.188 0.000 1.075 114 T HN 0.345 nan 8.240 nan 0.000 0.537 115 M N 0.019 119.799 119.600 0.300 0.000 2.149 115 M HA -0.111 4.385 4.480 0.027 0.000 0.261 115 M C 2.362 178.824 176.300 0.270 0.000 1.064 115 M CA 1.720 57.183 55.300 0.271 0.000 1.102 115 M CB -1.391 31.290 32.600 0.136 0.000 1.369 115 M HN 0.845 nan 8.290 nan 0.000 0.408 116 Q N 0.972 120.898 119.800 0.211 0.000 2.084 116 Q HA -0.168 4.189 4.340 0.027 0.000 0.202 116 Q C 1.416 177.536 176.000 0.200 0.000 0.978 116 Q CA 1.869 57.773 55.803 0.168 0.000 0.844 116 Q CB -0.239 28.576 28.738 0.128 0.000 0.898 116 Q HN 0.424 nan 8.270 nan 0.000 0.426 117 D N -0.771 119.805 120.400 0.294 0.000 2.144 117 D HA -0.151 4.506 4.640 0.027 0.000 0.199 117 D C 1.605 178.079 176.300 0.290 0.000 0.984 117 D CA 0.876 55.081 54.000 0.342 0.000 0.834 117 D CB -0.336 40.775 40.800 0.517 0.000 0.955 117 D HN 0.301 nan 8.370 nan 0.000 0.465 118 F N 1.892 121.918 119.950 0.126 0.000 2.102 118 F HA -0.156 4.387 4.527 0.027 0.000 0.298 118 F C 2.208 177.923 175.800 -0.142 0.000 1.105 118 F CA 1.376 59.202 58.000 -0.291 0.000 1.239 118 F CB 0.154 38.981 39.000 -0.289 0.000 0.991 118 F HN -0.205 nan 8.300 nan 0.000 0.474 119 K N 0.071 120.503 120.400 0.054 0.000 2.063 119 K HA -0.191 4.145 4.320 0.027 0.000 0.208 119 K C 1.686 178.225 176.600 -0.102 0.000 1.048 119 K CA 1.597 57.866 56.287 -0.031 0.000 0.928 119 K CB -0.370 32.166 32.500 0.060 0.000 0.713 119 K HN 0.260 nan 8.250 nan 0.000 0.442 120 N N 1.219 119.895 118.700 -0.041 0.000 2.166 120 N HA -0.159 4.597 4.740 0.027 0.000 0.186 120 N C 1.725 177.173 175.510 -0.104 0.000 1.019 120 N CA 0.817 53.847 53.050 -0.034 0.000 0.856 120 N CB -0.338 38.165 38.487 0.026 0.000 0.993 120 N HN 0.067 nan 8.380 nan 0.000 0.426 121 L N 1.029 122.137 121.223 -0.192 0.000 2.046 121 L HA -0.048 4.308 4.340 0.027 0.000 0.208 121 L C 1.829 178.474 176.870 -0.375 0.000 1.077 121 L CA 1.359 56.034 54.840 -0.274 0.000 0.747 121 L CB -0.522 41.281 42.059 -0.426 0.000 0.896 121 L HN 0.025 nan 8.230 nan 0.000 0.432 122 I N 0.005 120.261 120.570 -0.524 0.000 2.179 122 I HA -0.269 3.917 4.170 0.027 0.000 0.242 122 I C 2.182 178.025 176.117 -0.457 0.000 1.088 122 I CA 1.423 62.375 61.300 -0.581 0.000 1.357 122 I CB -1.441 36.260 38.000 -0.498 0.000 1.051 122 I HN 0.335 nan 8.210 nan 0.000 0.409 123 D N 0.320 120.593 120.400 -0.211 0.000 2.117 123 D HA -0.112 4.545 4.640 0.027 0.000 0.198 123 D C 2.181 178.476 176.300 -0.009 0.000 0.982 123 D CA 1.449 55.414 54.000 -0.060 0.000 0.828 123 D CB -0.277 40.516 40.800 -0.012 0.000 0.967 123 D HN 0.265 nan 8.370 nan 0.000 0.464 124 T N 0.886 115.429 114.554 -0.018 0.000 2.746 124 T HA -0.102 4.264 4.350 0.027 0.000 0.267 124 T C 2.035 176.807 174.700 0.121 0.000 1.039 124 T CA 1.436 63.585 62.100 0.081 0.000 1.142 124 T CB -0.249 68.628 68.868 0.014 0.000 0.866 124 T HN 0.184 nan 8.240 nan 0.000 0.444 125 A N 1.267 124.066 122.820 -0.036 0.000 1.877 125 A HA -0.179 4.157 4.320 0.027 0.000 0.216 125 A C 1.957 179.603 177.584 0.104 0.000 1.186 125 A CA 1.775 53.800 52.037 -0.019 0.000 0.620 125 A CB -1.012 17.901 19.000 -0.145 0.000 0.822 125 A HN 0.699 nan 8.150 nan 0.000 0.443 126 H N -0.848 118.232 119.070 0.015 0.000 2.353 126 H HA -0.005 4.567 4.556 0.027 0.000 0.300 126 H C 2.492 177.817 175.328 -0.004 0.000 1.090 126 H CA 0.656 56.703 56.048 -0.003 0.000 1.327 126 H CB -0.024 29.727 29.762 -0.020 0.000 1.383 126 H HN 0.561 nan 8.280 nan 0.000 0.508 127 A N 0.765 123.664 122.820 0.132 0.000 2.024 127 A HA -0.188 4.148 4.320 0.027 0.000 0.220 127 A C 1.287 178.783 177.584 -0.146 0.000 1.164 127 A CA 1.436 53.461 52.037 -0.019 0.000 0.643 127 A CB -0.334 18.634 19.000 -0.052 0.000 0.806 127 A HN 0.550 nan 8.150 nan 0.000 0.451 128 H N -0.657 118.422 119.070 0.015 0.000 2.488 128 H HA 0.122 4.695 4.556 0.028 0.000 0.294 128 H C -0.164 175.161 175.328 -0.006 0.000 1.088 128 H CA -0.108 55.940 56.048 0.000 0.000 1.086 128 H CB -0.048 29.712 29.762 -0.002 0.000 1.569 128 H HN 0.490 nan 8.280 nan 0.000 0.548 129 N N 1.071 119.811 118.700 0.068 0.000 2.721 129 N HA -0.191 4.566 4.740 0.027 0.000 0.249 129 N C -0.399 175.125 175.510 0.024 0.000 1.072 129 N CA 0.683 53.746 53.050 0.021 0.000 0.710 129 N CB -1.251 37.223 38.487 -0.021 0.000 0.993 129 N HN 0.483 nan 8.380 nan 0.000 0.547 130 I N 0.751 121.366 120.570 0.075 0.000 2.378 130 I HA 0.201 4.388 4.170 0.027 0.000 0.291 130 I C 0.608 176.796 176.117 0.118 0.000 0.992 130 I CA -0.579 60.758 61.300 0.062 0.000 1.154 130 I CB 1.539 39.570 38.000 0.052 0.000 1.315 130 I HN -0.182 nan 8.210 nan 0.000 0.448 131 K N 4.329 124.778 120.400 0.081 0.000 2.126 131 K HA 0.594 4.931 4.320 0.027 0.000 0.257 131 K C -0.988 175.740 176.600 0.214 0.000 1.007 131 K CA -0.571 55.808 56.287 0.154 0.000 0.928 131 K CB 1.685 34.179 32.500 -0.010 0.000 1.013 131 K HN 0.266 nan 8.250 nan 0.000 0.473 132 V N 3.735 123.792 119.914 0.238 0.000 2.444 132 V HA 0.391 4.527 4.120 0.027 0.000 0.294 132 V C -0.434 175.817 176.094 0.262 0.000 1.022 132 V CA -0.749 61.654 62.300 0.172 0.000 0.850 132 V CB 1.251 33.059 31.823 -0.026 0.000 0.992 132 V HN 0.588 nan 8.190 nan 0.000 0.426 133 I N 5.924 126.666 120.570 0.286 0.000 2.441 133 I HA 0.574 4.760 4.170 0.027 0.000 0.295 133 I C -0.286 175.971 176.117 0.233 0.000 0.994 133 I CA -0.626 60.817 61.300 0.237 0.000 1.144 133 I CB 1.886 40.017 38.000 0.219 0.000 1.314 133 I HN 0.611 nan 8.210 nan 0.000 0.445 134 I N 1.148 121.810 120.570 0.154 0.000 2.493 134 I HA 0.562 4.748 4.170 0.027 0.000 0.298 134 I C -0.666 175.521 176.117 0.116 0.000 0.998 134 I CA -0.876 60.519 61.300 0.157 0.000 1.137 134 I CB 1.403 39.450 38.000 0.079 0.000 1.310 134 I HN 0.294 nan 8.210 nan 0.000 0.445 135 D N 3.945 124.459 120.400 0.190 0.000 2.399 135 D HA 0.298 4.954 4.640 0.027 0.000 0.241 135 D C -1.255 175.182 176.300 0.228 0.000 1.133 135 D CA 0.744 54.859 54.000 0.191 0.000 0.890 135 D CB 1.169 42.101 40.800 0.220 0.000 1.201 135 D HN 0.518 nan 8.370 nan 0.000 0.432 136 F N 0.245 120.225 119.950 0.050 0.000 2.557 136 F HA 0.473 5.016 4.527 0.026 0.000 0.316 136 F C -0.898 174.986 175.800 0.140 0.000 1.141 136 F CA -0.725 57.333 58.000 0.096 0.000 0.922 136 F CB 1.519 40.589 39.000 0.115 0.000 1.194 136 F HN 0.309 nan 8.300 nan 0.000 0.443 137 A N 7.067 129.823 122.820 -0.107 0.000 3.064 137 A HA 0.433 4.770 4.320 0.027 0.000 0.339 137 A C -2.420 175.030 177.584 -0.223 0.000 1.078 137 A CA -1.164 50.826 52.037 -0.078 0.000 0.869 137 A CB -0.309 18.702 19.000 0.019 0.000 1.067 137 A HN 0.462 nan 8.150 nan 0.000 0.480 138 P HA -0.004 nan 4.420 nan 0.000 0.255 138 P C 0.506 177.728 177.300 -0.130 0.000 1.301 138 P CA 0.415 63.318 63.100 -0.330 0.000 0.817 138 P CB 0.118 31.656 31.700 -0.271 0.000 1.259 139 N N 0.814 119.443 118.700 -0.118 0.000 2.376 139 N HA -0.081 4.675 4.740 0.027 0.000 0.177 139 N C 0.693 176.243 175.510 0.067 0.000 1.024 139 N CA 0.469 53.549 53.050 0.049 0.000 0.893 139 N CB 0.013 38.606 38.487 0.176 0.000 0.980 139 N HN 0.284 nan 8.380 nan 0.000 0.439 140 H N -4.583 114.548 119.070 0.102 0.000 2.948 140 H HA 0.275 4.847 4.556 0.027 0.000 0.315 140 H C -0.183 175.279 175.328 0.223 0.000 1.360 140 H CA -0.112 56.007 56.048 0.119 0.000 1.125 140 H CB 0.764 30.572 29.762 0.077 0.000 1.844 140 H HN 0.027 nan 8.280 nan 0.000 0.529 141 T N -0.776 113.993 114.554 0.358 0.000 3.535 141 T HA 0.307 4.673 4.350 0.027 0.000 0.223 141 T C 0.680 175.562 174.700 0.303 0.000 0.933 141 T CA 0.822 63.107 62.100 0.308 0.000 1.445 141 T CB -0.519 68.536 68.868 0.310 0.000 1.286 141 T HN 0.822 nan 8.240 nan 0.000 0.436 142 S N 0.723 116.480 115.700 0.094 0.000 2.671 142 S HA 0.650 5.136 4.470 0.027 0.000 0.277 142 S C -3.374 171.029 174.600 -0.328 0.000 1.165 142 S CA -1.656 56.466 58.200 -0.131 0.000 0.822 142 S CB 1.061 64.188 63.200 -0.121 0.000 1.150 142 S HN 0.192 nan 8.310 nan 0.000 0.479 143 P HA 0.361 nan 4.420 nan 0.000 0.260 143 P C -0.974 176.230 177.300 -0.161 0.000 1.172 143 P CA 0.587 63.505 63.100 -0.303 0.000 0.760 143 P CB 0.114 31.593 31.700 -0.368 0.000 0.773 144 A N 2.697 125.498 122.820 -0.030 0.000 2.572 144 A HA 0.696 5.032 4.320 0.027 0.000 0.295 144 A C -0.898 176.740 177.584 0.091 0.000 1.072 144 A CA -0.491 51.529 52.037 -0.028 0.000 0.691 144 A CB 1.691 20.424 19.000 -0.445 0.000 1.291 144 A HN 0.320 nan 8.150 nan 0.000 0.404 145 S N 0.248 116.098 115.700 0.251 0.000 2.707 145 S HA 0.457 4.944 4.470 0.027 0.000 0.303 145 S C 1.034 175.778 174.600 0.239 0.000 1.132 145 S CA 0.165 58.466 58.200 0.169 0.000 1.046 145 S CB 0.967 64.171 63.200 0.006 0.000 1.004 145 S HN 1.587 nan 8.310 nan 0.000 0.483 146 S N 3.291 119.164 115.700 0.289 0.000 2.423 146 S HA -0.091 4.396 4.470 0.027 0.000 0.231 146 S C 1.073 175.668 174.600 -0.008 0.000 1.014 146 S CA 0.942 59.170 58.200 0.047 0.000 0.965 146 S CB -0.325 62.735 63.200 -0.234 0.000 0.785 146 S HN 0.753 nan 8.310 nan 0.000 0.495 147 D N 1.775 122.177 120.400 0.003 0.000 2.178 147 D HA 0.009 4.665 4.640 0.027 0.000 0.202 147 D C 0.122 176.419 176.300 -0.005 0.000 0.974 147 D CA 1.125 55.113 54.000 -0.019 0.000 0.841 147 D CB -0.192 40.592 40.800 -0.026 0.000 0.953 147 D HN 0.439 nan 8.370 nan 0.000 0.478 148 D N -0.170 120.243 120.400 0.021 0.000 2.438 148 D HA 0.116 4.772 4.640 0.027 0.000 0.257 148 D C -1.953 174.399 176.300 0.087 0.000 1.148 148 D CA -2.130 51.894 54.000 0.041 0.000 0.902 148 D CB 1.678 42.496 40.800 0.030 0.000 1.062 148 D HN -0.086 nan 8.370 nan 0.000 0.518 149 P HA -0.069 nan 4.420 nan 0.000 0.234 149 P C 0.843 178.176 177.300 0.055 0.000 1.167 149 P CA 0.444 63.575 63.100 0.053 0.000 0.763 149 P CB 0.180 31.892 31.700 0.019 0.000 0.835 150 S N -1.622 114.120 115.700 0.069 0.000 2.548 150 S HA 0.035 4.521 4.470 0.027 0.000 0.215 150 S C 0.459 175.102 174.600 0.072 0.000 0.976 150 S CA -0.669 57.563 58.200 0.053 0.000 0.908 150 S CB -1.154 62.073 63.200 0.045 0.000 0.781 150 S HN 0.069 nan 8.310 nan 0.000 0.519 151 F N 3.406 123.333 119.950 -0.038 0.000 2.495 151 F HA 0.511 5.054 4.527 0.027 0.000 0.365 151 F C 1.000 176.753 175.800 -0.079 0.000 1.090 151 F CA -0.035 57.928 58.000 -0.062 0.000 1.235 151 F CB 0.207 39.170 39.000 -0.063 0.000 1.119 151 F HN 0.484 nan 8.300 nan 0.000 0.562 152 A N 4.561 126.784 122.820 -0.994 0.000 5.578 152 A HA -0.361 3.975 4.320 0.027 0.000 0.312 152 A C 0.836 178.205 177.584 -0.359 0.000 1.861 152 A CA 1.540 53.100 52.037 -0.796 0.000 0.719 152 A CB -1.400 16.875 19.000 -1.208 0.000 1.323 152 A HN 0.857 nan 8.150 nan 0.000 0.387 153 E N 1.128 121.179 120.200 -0.248 0.000 2.609 153 E HA 0.240 4.606 4.350 0.027 0.000 0.208 153 E C 0.333 176.893 176.600 -0.067 0.000 1.013 153 E CA 0.340 56.690 56.400 -0.084 0.000 1.093 153 E CB -0.162 29.547 29.700 0.014 0.000 1.129 153 E HN 0.655 nan 8.360 nan 0.000 0.450 154 N N 0.953 119.587 118.700 -0.110 0.000 2.710 154 N HA -0.244 4.512 4.740 0.027 0.000 0.249 154 N C 0.679 176.122 175.510 -0.113 0.000 1.059 154 N CA 0.408 53.424 53.050 -0.056 0.000 0.720 154 N CB -0.845 37.640 38.487 -0.003 0.000 0.983 154 N HN 0.599 nan 8.380 nan 0.000 0.544 155 G N 0.183 108.884 108.800 -0.165 0.000 2.296 155 G HA2 -0.365 3.611 3.960 0.027 0.000 0.282 155 G HA3 -0.365 3.611 3.960 0.027 0.000 0.282 155 G C 0.273 175.157 174.900 -0.025 0.000 1.014 155 G CA 0.839 45.831 45.100 -0.179 0.000 0.812 155 G HN 0.671 nan 8.290 nan 0.000 0.508 156 R N -1.089 119.428 120.500 0.028 0.000 2.623 156 R HA 0.365 4.722 4.340 0.027 0.000 0.271 156 R C 0.143 176.504 176.300 0.101 0.000 1.043 156 R CA -0.270 55.858 56.100 0.047 0.000 1.083 156 R CB 0.515 30.801 30.300 -0.023 0.000 0.974 156 R HN 0.252 nan 8.270 nan 0.000 0.436 157 L N 4.030 125.261 121.223 0.012 0.000 2.322 157 L HA 0.392 4.748 4.340 0.027 0.000 0.281 157 L C -1.489 175.247 176.870 -0.223 0.000 1.014 157 L CA -0.389 54.465 54.840 0.024 0.000 0.815 157 L CB 1.076 43.135 42.059 -0.000 0.000 1.247 157 L HN 0.430 nan 8.230 nan 0.000 0.421 158 Y N 2.000 122.331 120.300 0.051 0.000 2.549 158 Y HA 0.509 5.075 4.550 0.027 0.000 0.339 158 Y C -0.514 175.434 175.900 0.080 0.000 1.053 158 Y CA -0.735 57.396 58.100 0.051 0.000 1.105 158 Y CB 1.802 40.319 38.460 0.096 0.000 1.258 158 Y HN 0.529 nan 8.280 nan 0.000 0.478 159 D N 1.489 122.041 120.400 0.253 0.000 2.454 159 D HA 0.160 4.816 4.640 0.027 0.000 0.247 159 D C -0.570 175.909 176.300 0.298 0.000 1.129 159 D CA -0.461 53.735 54.000 0.326 0.000 0.877 159 D CB 0.010 40.919 40.800 0.180 0.000 1.082 159 D HN 0.671 nan 8.370 nan 0.000 0.537 160 N N 3.066 121.954 118.700 0.313 0.000 2.716 160 N HA -0.271 4.485 4.740 0.027 0.000 0.250 160 N C 0.980 176.587 175.510 0.162 0.000 1.033 160 N CA 1.448 54.621 53.050 0.205 0.000 0.727 160 N CB -0.728 37.855 38.487 0.160 0.000 0.950 160 N HN 0.774 nan 8.380 nan 0.000 0.541 161 G N -1.898 107.015 108.800 0.187 0.000 2.254 161 G HA2 -0.274 3.702 3.960 0.027 0.000 0.225 161 G HA3 -0.274 3.702 3.960 0.027 0.000 0.225 161 G C -0.204 174.856 174.900 0.267 0.000 1.003 161 G CA 0.025 45.207 45.100 0.137 0.000 0.622 161 G HN 0.425 nan 8.290 nan 0.000 0.507 162 N N 1.214 120.068 118.700 0.256 0.000 2.422 162 N HA 0.360 5.117 4.740 0.027 0.000 0.264 162 N C 0.216 175.840 175.510 0.189 0.000 1.063 162 N CA -0.252 52.923 53.050 0.208 0.000 0.959 162 N CB 1.628 40.186 38.487 0.118 0.000 1.087 162 N HN 0.363 nan 8.380 nan 0.000 0.483 163 L N 3.432 124.714 121.223 0.098 0.000 2.534 163 L HA 0.003 4.359 4.340 0.027 0.000 0.271 163 L C 1.439 178.194 176.870 -0.192 0.000 1.178 163 L CA 0.011 54.686 54.840 -0.274 0.000 0.907 163 L CB 0.588 42.492 42.059 -0.259 0.000 1.164 163 L HN 0.493 nan 8.230 nan 0.000 0.482 164 L N 4.394 125.462 121.223 -0.258 0.000 2.145 164 L HA 0.281 4.637 4.340 0.027 0.000 0.201 164 L C 0.961 177.740 176.870 -0.152 0.000 1.075 164 L CA 0.701 55.426 54.840 -0.192 0.000 0.773 164 L CB -0.184 41.717 42.059 -0.262 0.000 0.936 164 L HN 0.785 nan 8.230 nan 0.000 0.451 165 G N -1.547 107.168 108.800 -0.142 0.000 2.328 165 G HA2 0.438 4.414 3.960 0.027 0.000 0.295 165 G HA3 0.438 4.414 3.960 0.027 0.000 0.295 165 G C -1.459 173.502 174.900 0.103 0.000 1.413 165 G CA -0.119 44.972 45.100 -0.015 0.000 0.817 165 G HN 0.176 nan 8.290 nan 0.000 0.546 166 G N -1.847 107.025 108.800 0.121 0.000 2.788 166 G HA2 0.507 4.483 3.960 0.027 0.000 0.293 166 G HA3 0.507 4.483 3.960 0.027 0.000 0.293 166 G C 0.135 175.047 174.900 0.020 0.000 1.305 166 G CA -0.333 44.804 45.100 0.063 0.000 1.005 166 G HN 0.619 nan 8.290 nan 0.000 0.496 167 Y N 0.212 120.285 120.300 -0.378 0.000 2.286 167 Y HA 0.132 4.699 4.550 0.028 0.000 0.293 167 Y C 1.895 177.726 175.900 -0.114 0.000 1.124 167 Y CA 1.072 58.913 58.100 -0.433 0.000 1.178 167 Y CB -0.061 38.109 38.460 -0.484 0.000 1.010 167 Y HN 0.314 nan 8.280 nan 0.000 0.536 168 T N 1.611 116.126 114.554 -0.065 0.000 2.884 168 T HA 0.087 4.453 4.350 0.027 0.000 0.298 168 T C 0.161 174.794 174.700 -0.111 0.000 0.998 168 T CA 0.119 62.149 62.100 -0.117 0.000 1.124 168 T CB 0.381 69.220 68.868 -0.049 0.000 0.931 168 T HN 0.399 nan 8.240 nan 0.000 0.531 169 N N 1.415 120.021 118.700 -0.156 0.000 2.754 169 N HA -0.164 4.592 4.740 0.027 0.000 0.248 169 N C -0.774 174.681 175.510 -0.092 0.000 1.093 169 N CA 0.381 53.358 53.050 -0.123 0.000 0.699 169 N CB -0.675 37.765 38.487 -0.077 0.000 1.016 169 N HN 0.656 nan 8.380 nan 0.000 0.552 170 D N -0.565 119.767 120.400 -0.113 0.000 2.600 170 D HA 0.122 4.778 4.640 0.027 0.000 0.226 170 D C 1.489 177.762 176.300 -0.044 0.000 1.119 170 D CA 0.595 54.594 54.000 -0.003 0.000 1.051 170 D CB -0.094 40.800 40.800 0.157 0.000 1.106 170 D HN 0.406 nan 8.370 nan 0.000 0.491 171 T N -0.546 113.977 114.554 -0.052 0.000 2.833 171 T HA -0.225 4.141 4.350 0.027 0.000 0.269 171 T C 1.601 176.278 174.700 -0.038 0.000 1.054 171 T CA 0.986 63.052 62.100 -0.057 0.000 1.135 171 T CB -0.198 68.639 68.868 -0.051 0.000 0.869 171 T HN 0.335 nan 8.240 nan 0.000 0.466 172 Q N 0.821 120.606 119.800 -0.026 0.000 2.436 172 Q HA 0.116 4.472 4.340 0.027 0.000 0.209 172 Q C 0.275 176.254 176.000 -0.034 0.000 0.965 172 Q CA -0.092 55.691 55.803 -0.033 0.000 0.910 172 Q CB -0.107 28.603 28.738 -0.047 0.000 0.980 172 Q HN 0.500 nan 8.270 nan 0.000 0.491 173 N N 0.403 119.100 118.700 -0.004 0.000 2.727 173 N HA -0.195 4.561 4.740 0.027 0.000 0.251 173 N C 0.190 175.655 175.510 -0.074 0.000 1.040 173 N CA 0.191 53.252 53.050 0.018 0.000 0.712 173 N CB -0.861 37.627 38.487 0.001 0.000 0.912 173 N HN 0.356 nan 8.380 nan 0.000 0.545 174 L N -1.491 119.658 121.223 -0.124 0.000 2.275 174 L HA 0.010 4.367 4.340 0.027 0.000 0.215 174 L C 0.686 177.128 176.870 -0.713 0.000 1.119 174 L CA 1.185 55.755 54.840 -0.450 0.000 0.790 174 L CB -0.141 41.546 42.059 -0.620 0.000 0.919 174 L HN 0.128 nan 8.230 nan 0.000 0.443 175 F N -2.667 117.175 119.950 -0.180 0.000 2.631 175 F HA 0.385 4.928 4.527 0.027 0.000 0.328 175 F C 0.304 175.831 175.800 -0.455 0.000 1.067 175 F CA -0.952 56.874 58.000 -0.289 0.000 0.969 175 F CB 0.945 39.897 39.000 -0.080 0.000 1.332 175 F HN -0.240 nan 8.300 nan 0.000 0.490 176 H N -0.905 118.086 119.070 -0.131 0.000 2.502 176 H HA 0.343 4.915 4.556 0.027 0.000 0.327 176 H C -1.078 173.904 175.328 -0.578 0.000 1.099 176 H CA -0.414 55.468 56.048 -0.276 0.000 1.323 176 H CB 0.684 30.466 29.762 0.033 0.000 1.450 176 H HN 0.518 nan 8.280 nan 0.000 0.502 177 H N 3.459 122.328 119.070 -0.334 0.000 2.379 177 H HA 0.119 4.691 4.556 0.027 0.000 0.229 177 H C -0.811 174.262 175.328 -0.424 0.000 1.423 177 H CA -0.083 55.780 56.048 -0.308 0.000 1.375 177 H CB 0.073 29.619 29.762 -0.361 0.000 1.592 177 H HN 0.671 nan 8.280 nan 0.000 0.507 178 Y N 0.084 120.424 120.300 0.067 0.000 2.500 178 Y HA 0.389 4.955 4.550 0.027 0.000 0.246 178 Y C 1.465 177.354 175.900 -0.018 0.000 1.146 178 Y CA 0.176 58.271 58.100 -0.008 0.000 1.230 178 Y CB 0.947 39.367 38.460 -0.068 0.000 1.214 178 Y HN 0.655 nan 8.280 nan 0.000 0.526 179 G N -0.068 108.799 108.800 0.112 0.000 2.631 179 G HA2 0.100 4.076 3.960 0.027 0.000 0.504 179 G HA3 0.100 4.076 3.960 0.027 0.000 0.504 179 G C 0.048 174.952 174.900 0.006 0.000 1.306 179 G CA -0.710 44.420 45.100 0.051 0.000 0.897 179 G HN 0.549 nan 8.290 nan 0.000 0.520 180 G N -0.974 107.794 108.800 -0.053 0.000 2.425 180 G HA2 0.678 4.654 3.960 0.027 0.000 0.302 180 G HA3 0.678 4.654 3.960 0.027 0.000 0.302 180 G C 0.382 175.150 174.900 -0.220 0.000 1.159 180 G CA 0.991 46.008 45.100 -0.139 0.000 0.865 180 G HN 1.395 nan 8.290 nan 0.000 0.515 181 T N -0.903 113.415 114.554 -0.394 0.000 2.899 181 T HA 0.251 4.617 4.350 0.027 0.000 0.295 181 T C 0.871 175.212 174.700 -0.598 0.000 1.033 181 T CA 0.083 61.867 62.100 -0.527 0.000 1.084 181 T CB 0.857 69.260 68.868 -0.776 0.000 0.979 181 T HN 0.583 nan 8.240 nan 0.000 0.532 182 D N 1.950 122.107 120.400 -0.406 0.000 2.398 182 D HA 0.077 4.733 4.640 0.027 0.000 0.210 182 D C 0.541 176.807 176.300 -0.056 0.000 1.094 182 D CA -0.336 53.542 54.000 -0.203 0.000 0.839 182 D CB -0.680 40.074 40.800 -0.077 0.000 0.963 182 D HN 0.651 nan 8.370 nan 0.000 0.506 183 F N 0.491 120.394 119.950 -0.079 0.000 3.057 183 F HA -0.300 4.244 4.527 0.028 0.000 0.287 183 F C 1.722 177.497 175.800 -0.041 0.000 0.834 183 F CA 0.599 58.562 58.000 -0.061 0.000 1.147 183 F CB -2.489 36.475 39.000 -0.060 0.000 1.245 183 F HN 0.143 nan 8.300 nan 0.000 0.509 184 S N -1.778 113.953 115.700 0.053 0.000 2.428 184 S HA 0.098 4.585 4.470 0.027 0.000 0.230 184 S C 0.905 175.522 174.600 0.028 0.000 1.014 184 S CA 1.085 59.308 58.200 0.037 0.000 0.957 184 S CB 0.075 63.273 63.200 -0.004 0.000 0.784 184 S HN 0.592 nan 8.310 nan 0.000 0.499 185 T N -1.982 112.573 114.554 0.002 0.000 2.841 185 T HA 0.613 4.979 4.350 0.027 0.000 0.296 185 T C 0.780 175.463 174.700 -0.029 0.000 1.166 185 T CA -0.887 61.208 62.100 -0.008 0.000 1.007 185 T CB 0.795 69.631 68.868 -0.054 0.000 1.253 185 T HN -0.113 nan 8.240 nan 0.000 0.511 186 I N 0.791 121.350 120.570 -0.019 0.000 2.142 186 I HA -0.116 4.070 4.170 0.027 0.000 0.240 186 I C 2.618 178.610 176.117 -0.208 0.000 1.078 186 I CA 1.843 63.109 61.300 -0.056 0.000 1.343 186 I CB -1.182 36.870 38.000 0.087 0.000 1.046 186 I HN 0.981 nan 8.210 nan 0.000 0.405 187 E N 1.154 121.126 120.200 -0.379 0.000 2.070 187 E HA -0.294 4.072 4.350 0.027 0.000 0.197 187 E C 2.144 178.598 176.600 -0.242 0.000 1.004 187 E CA 1.683 57.723 56.400 -0.599 0.000 0.805 187 E CB -0.193 28.983 29.700 -0.873 0.000 0.744 187 E HN 0.421 nan 8.360 nan 0.000 0.451 188 N N -0.069 118.519 118.700 -0.187 0.000 2.069 188 N HA -0.146 4.610 4.740 0.027 0.000 0.191 188 N C 1.945 177.360 175.510 -0.158 0.000 1.031 188 N CA 1.618 54.579 53.050 -0.147 0.000 0.852 188 N CB -0.374 38.031 38.487 -0.137 0.000 1.018 188 N HN 0.261 nan 8.380 nan 0.000 0.423 189 G N 0.488 109.209 108.800 -0.132 0.000 2.509 189 G HA2 -0.056 3.920 3.960 0.027 0.000 0.218 189 G HA3 -0.056 3.920 3.960 0.027 0.000 0.218 189 G C 1.687 176.583 174.900 -0.007 0.000 1.124 189 G CA 0.116 45.181 45.100 -0.058 0.000 0.776 189 G HN 0.323 nan 8.290 nan 0.000 0.547 190 I N -1.307 119.161 120.570 -0.171 0.000 2.429 190 I HA 0.034 4.220 4.170 0.027 0.000 0.247 190 I C 1.794 177.670 176.117 -0.402 0.000 1.099 190 I CA 0.700 61.794 61.300 -0.343 0.000 1.422 190 I CB 0.061 37.682 38.000 -0.632 0.000 1.112 190 I HN 0.103 nan 8.210 nan 0.000 0.430 191 Y N 0.981 121.205 120.300 -0.127 0.000 2.462 191 Y HA 0.219 4.786 4.550 0.028 0.000 0.261 191 Y C 0.874 176.696 175.900 -0.130 0.000 1.146 191 Y CA -0.040 57.923 58.100 -0.228 0.000 1.283 191 Y CB 0.029 38.266 38.460 -0.372 0.000 1.090 191 Y HN -0.074 nan 8.280 nan 0.000 0.526 192 K N 0.556 120.960 120.400 0.007 0.000 2.211 192 K HA 0.259 4.595 4.320 0.027 0.000 0.237 192 K C -0.578 175.984 176.600 -0.064 0.000 1.002 192 K CA -1.118 55.175 56.287 0.010 0.000 0.885 192 K CB 0.697 33.148 32.500 -0.081 0.000 1.136 192 K HN -0.097 nan 8.250 nan 0.000 0.448 193 N N 1.178 119.836 118.700 -0.071 0.000 2.518 193 N HA 0.061 4.817 4.740 0.027 0.000 0.266 193 N C -0.618 174.712 175.510 -0.299 0.000 1.196 193 N CA -0.246 52.725 53.050 -0.133 0.000 0.947 193 N CB 0.206 38.625 38.487 -0.113 0.000 1.098 193 N HN 0.237 nan 8.380 nan 0.000 0.450 194 L N 4.760 125.775 121.223 -0.347 0.000 2.325 194 L HA 0.140 4.496 4.340 0.027 0.000 0.284 194 L C 0.062 176.675 176.870 -0.429 0.000 1.089 194 L CA 0.441 54.941 54.840 -0.566 0.000 0.836 194 L CB -1.328 40.420 42.059 -0.518 0.000 1.184 194 L HN 0.449 nan 8.230 nan 0.000 0.444 195 Y N 0.925 121.127 120.300 -0.164 0.000 2.835 195 Y HA -0.423 4.143 4.550 0.028 0.000 0.470 195 Y C 1.470 177.285 175.900 -0.142 0.000 1.154 195 Y CA 1.320 59.343 58.100 -0.128 0.000 2.680 195 Y CB -1.217 37.177 38.460 -0.109 0.000 1.184 195 Y HN 0.764 nan 8.280 nan 0.000 0.622 196 D N 0.721 121.151 120.400 0.050 0.000 2.440 196 D HA 0.230 4.887 4.640 0.027 0.000 0.216 196 D C -0.276 175.942 176.300 -0.136 0.000 1.150 196 D CA 0.063 54.037 54.000 -0.043 0.000 0.832 196 D CB -0.601 40.211 40.800 0.020 0.000 0.992 196 D HN 0.408 nan 8.370 nan 0.000 0.502 197 L N 1.368 122.496 121.223 -0.159 0.000 2.361 197 L HA 0.397 4.753 4.340 0.027 0.000 0.278 197 L C 0.736 177.456 176.870 -0.249 0.000 1.113 197 L CA -0.821 53.890 54.840 -0.216 0.000 0.849 197 L CB 0.937 42.819 42.059 -0.295 0.000 1.155 197 L HN 0.007 nan 8.230 nan 0.000 0.452 198 A N 2.914 125.522 122.820 -0.354 0.000 2.505 198 A HA 0.023 4.359 4.320 0.027 0.000 0.271 198 A C -0.024 177.557 177.584 -0.005 0.000 1.112 198 A CA -0.247 51.471 52.037 -0.531 0.000 0.781 198 A CB -0.357 18.145 19.000 -0.829 0.000 1.059 198 A HN 0.738 nan 8.150 nan 0.000 0.508 199 D N 2.612 123.033 120.400 0.035 0.000 2.339 199 D HA 0.352 5.009 4.640 0.027 0.000 0.256 199 D C 0.115 176.452 176.300 0.063 0.000 1.214 199 D CA 0.231 54.297 54.000 0.111 0.000 0.877 199 D CB 0.313 41.199 40.800 0.143 0.000 1.111 199 D HN 0.483 nan 8.370 nan 0.000 0.478 200 L N 3.355 124.509 121.223 -0.114 0.000 2.439 200 L HA 0.181 4.537 4.340 0.027 0.000 0.269 200 L C 0.644 177.017 176.870 -0.827 0.000 1.179 200 L CA -0.381 54.153 54.840 -0.509 0.000 0.828 200 L CB 0.463 42.149 42.059 -0.621 0.000 1.106 200 L HN 0.423 nan 8.230 nan 0.000 0.467 201 N N 0.237 118.399 118.700 -0.896 0.000 2.589 201 N HA 0.141 4.898 4.740 0.027 0.000 0.232 201 N C 0.409 175.520 175.510 -0.664 0.000 1.015 201 N CA -0.268 52.285 53.050 -0.829 0.000 0.931 201 N CB 0.397 38.522 38.487 -0.605 0.000 1.150 201 N HN 0.428 nan 8.380 nan 0.000 0.512 202 H N 1.128 119.928 119.070 -0.450 0.000 2.561 202 H HA 0.010 4.582 4.556 0.027 0.000 0.278 202 H C 1.080 176.264 175.328 -0.239 0.000 1.014 202 H CA 0.691 56.374 56.048 -0.608 0.000 1.211 202 H CB 0.219 29.218 29.762 -1.272 0.000 1.365 202 H HN 0.535 nan 8.280 nan 0.000 0.594 203 N N 0.589 119.295 118.700 0.010 0.000 2.461 203 N HA -0.105 4.652 4.740 0.027 0.000 0.188 203 N C 0.000 175.534 175.510 0.039 0.000 1.134 203 N CA -0.049 53.061 53.050 0.100 0.000 0.878 203 N CB 0.121 38.712 38.487 0.175 0.000 0.972 203 N HN 0.157 nan 8.380 nan 0.000 0.456 204 N N 0.192 118.861 118.700 -0.051 0.000 2.408 204 N HA 0.052 4.808 4.740 0.027 0.000 0.257 204 N C 0.171 175.667 175.510 -0.023 0.000 1.064 204 N CA 0.118 53.133 53.050 -0.058 0.000 0.952 204 N CB 1.079 39.479 38.487 -0.146 0.000 1.093 204 N HN 0.041 nan 8.380 nan 0.000 0.490 205 S N 2.198 117.912 115.700 0.023 0.000 2.402 205 S HA -0.139 4.347 4.470 0.027 0.000 0.233 205 S C 1.785 176.414 174.600 0.047 0.000 1.030 205 S CA 1.271 59.505 58.200 0.056 0.000 1.003 205 S CB 0.014 63.250 63.200 0.060 0.000 0.813 205 S HN 0.657 nan 8.310 nan 0.000 0.477 206 S N 0.980 116.682 115.700 0.004 0.000 2.383 206 S HA -0.037 4.449 4.470 0.027 0.000 0.227 206 S C 1.988 176.594 174.600 0.009 0.000 1.026 206 S CA 0.990 59.190 58.200 0.000 0.000 0.981 206 S CB -0.320 62.844 63.200 -0.058 0.000 0.818 206 S HN 0.360 nan 8.310 nan 0.000 0.472 207 V N 2.006 121.879 119.914 -0.069 0.000 2.379 207 V HA -0.154 3.982 4.120 0.027 0.000 0.245 207 V C 2.251 178.377 176.094 0.054 0.000 1.044 207 V CA 1.964 64.205 62.300 -0.099 0.000 1.036 207 V CB -0.721 30.905 31.823 -0.328 0.000 0.664 207 V HN 0.463 nan 8.190 nan 0.000 0.453 208 D N 0.368 120.819 120.400 0.084 0.000 2.087 208 D HA -0.183 4.473 4.640 0.027 0.000 0.192 208 D C 1.980 178.470 176.300 0.317 0.000 0.993 208 D CA 1.985 56.159 54.000 0.290 0.000 0.828 208 D CB -0.148 40.833 40.800 0.301 0.000 0.968 208 D HN 0.175 nan 8.370 nan 0.000 0.448 209 V N -0.191 119.854 119.914 0.219 0.000 2.427 209 V HA -0.205 3.932 4.120 0.027 0.000 0.248 209 V C 2.128 178.343 176.094 0.201 0.000 1.051 209 V CA 1.804 64.215 62.300 0.185 0.000 1.048 209 V CB -0.932 30.971 31.823 0.133 0.000 0.666 209 V HN 0.359 nan 8.190 nan 0.000 0.456 210 Y N 0.195 120.547 120.300 0.087 0.000 2.181 210 Y HA -0.213 4.353 4.550 0.027 0.000 0.288 210 Y C 2.173 178.150 175.900 0.128 0.000 1.146 210 Y CA 1.576 59.727 58.100 0.085 0.000 1.164 210 Y CB -0.189 38.294 38.460 0.038 0.000 0.982 210 Y HN 0.137 nan 8.280 nan 0.000 0.515 211 L N 0.803 122.097 121.223 0.118 0.000 2.093 211 L HA -0.128 4.228 4.340 0.027 0.000 0.208 211 L C 2.209 179.251 176.870 0.286 0.000 1.085 211 L CA 1.661 56.555 54.840 0.091 0.000 0.755 211 L CB -0.954 41.236 42.059 0.219 0.000 0.904 211 L HN 0.204 nan 8.230 nan 0.000 0.435 212 K N -0.779 119.806 120.400 0.310 0.000 2.103 212 K HA -0.125 4.211 4.320 0.027 0.000 0.204 212 K C 1.661 178.285 176.600 0.040 0.000 1.052 212 K CA 1.107 57.529 56.287 0.225 0.000 0.945 212 K CB -0.042 32.571 32.500 0.188 0.000 0.722 212 K HN 0.231 nan 8.250 nan 0.000 0.443 213 D N 0.841 121.247 120.400 0.010 0.000 2.117 213 D HA -0.118 4.538 4.640 0.027 0.000 0.197 213 D C 1.845 178.116 176.300 -0.048 0.000 0.987 213 D CA 1.249 55.220 54.000 -0.048 0.000 0.829 213 D CB -0.191 40.598 40.800 -0.018 0.000 0.961 213 D HN 0.171 nan 8.370 nan 0.000 0.460 214 A N 0.764 123.555 122.820 -0.048 0.000 1.883 214 A HA -0.182 4.155 4.320 0.027 0.000 0.217 214 A C 2.253 179.974 177.584 0.229 0.000 1.186 214 A CA 1.114 53.208 52.037 0.095 0.000 0.624 214 A CB -0.746 18.344 19.000 0.149 0.000 0.822 214 A HN 0.209 nan 8.150 nan 0.000 0.444 215 I N -0.197 120.431 120.570 0.096 0.000 2.226 215 I HA -0.197 3.990 4.170 0.027 0.000 0.245 215 I C 2.198 178.300 176.117 -0.026 0.000 1.100 215 I CA 1.664 62.886 61.300 -0.130 0.000 1.374 215 I CB -0.283 37.538 38.000 -0.298 0.000 1.057 215 I HN 0.258 nan 8.210 nan 0.000 0.413 216 K N -0.466 119.886 120.400 -0.079 0.000 2.103 216 K HA -0.231 4.106 4.320 0.027 0.000 0.207 216 K C 2.182 178.789 176.600 0.011 0.000 1.048 216 K CA 1.897 58.121 56.287 -0.105 0.000 0.930 216 K CB -0.308 31.954 32.500 -0.396 0.000 0.716 216 K HN 0.405 nan 8.250 nan 0.000 0.444 217 M N -0.471 119.099 119.600 -0.049 0.000 2.117 217 M HA -0.190 4.307 4.480 0.027 0.000 0.262 217 M C 1.355 177.545 176.300 -0.183 0.000 1.065 217 M CA 1.812 57.026 55.300 -0.143 0.000 1.114 217 M CB -0.128 32.307 32.600 -0.276 0.000 1.361 217 M HN 0.212 nan 8.290 nan 0.000 0.408 218 W N 0.383 121.693 121.300 0.017 0.000 2.467 218 W HA -0.051 4.626 4.660 0.028 0.000 0.275 218 W C 1.945 178.513 176.519 0.081 0.000 1.239 218 W CA 0.538 57.904 57.345 0.033 0.000 1.266 218 W CB -0.355 29.097 29.460 -0.014 0.000 1.112 218 W HN 0.193 nan 8.180 nan 0.000 0.576 219 L N -0.165 121.198 121.223 0.235 0.000 2.093 219 L HA -0.189 4.167 4.340 0.027 0.000 0.208 219 L C 1.852 178.827 176.870 0.175 0.000 1.085 219 L CA 1.072 56.032 54.840 0.200 0.000 0.755 219 L CB -0.721 41.463 42.059 0.208 0.000 0.904 219 L HN -0.114 nan 8.230 nan 0.000 0.435 220 D N 0.269 120.768 120.400 0.164 0.000 2.218 220 D HA -0.115 4.541 4.640 0.027 0.000 0.204 220 D C 2.138 178.497 176.300 0.097 0.000 0.976 220 D CA 1.079 55.147 54.000 0.114 0.000 0.853 220 D CB -0.040 40.815 40.800 0.092 0.000 0.939 220 D HN 0.299 nan 8.370 nan 0.000 0.481 221 L N -0.578 120.719 121.223 0.124 0.000 2.610 221 L HA 0.133 4.490 4.340 0.027 0.000 0.232 221 L C 1.393 178.393 176.870 0.216 0.000 1.149 221 L CA 0.433 55.380 54.840 0.178 0.000 0.872 221 L CB -0.050 42.158 42.059 0.248 0.000 0.992 221 L HN 0.128 nan 8.230 nan 0.000 0.447 222 G N 0.082 109.003 108.800 0.201 0.000 2.134 222 G HA2 -0.231 3.746 3.960 0.027 0.000 0.209 222 G HA3 -0.231 3.746 3.960 0.027 0.000 0.209 222 G C 0.292 175.336 174.900 0.238 0.000 0.993 222 G CA -0.012 45.209 45.100 0.202 0.000 0.669 222 G HN 0.192 nan 8.290 nan 0.000 0.519 223 V N -2.121 117.955 119.914 0.269 0.000 2.924 223 V HA 0.568 4.705 4.120 0.027 0.000 0.305 223 V C 0.899 177.143 176.094 0.250 0.000 1.073 223 V CA 0.586 63.044 62.300 0.264 0.000 1.098 223 V CB 1.355 33.369 31.823 0.319 0.000 1.000 223 V HN 0.102 nan 8.190 nan 0.000 0.484 224 D N 2.299 122.872 120.400 0.290 0.000 2.389 224 D HA 0.311 4.968 4.640 0.027 0.000 0.206 224 D C 0.696 177.247 176.300 0.418 0.000 1.055 224 D CA 1.275 55.492 54.000 0.362 0.000 0.856 224 D CB 1.233 42.292 40.800 0.431 0.000 0.957 224 D HN 0.944 nan 8.370 nan 0.000 0.509 225 G N 0.308 109.272 108.800 0.274 0.000 2.673 225 G HA2 0.583 4.559 3.960 0.027 0.000 0.292 225 G HA3 0.583 4.559 3.960 0.027 0.000 0.292 225 G C -1.649 173.250 174.900 -0.001 0.000 1.450 225 G CA -0.639 44.523 45.100 0.104 0.000 0.837 225 G HN -0.017 nan 8.290 nan 0.000 0.505 226 I N 0.823 121.305 120.570 -0.148 0.000 2.498 226 I HA 0.486 4.672 4.170 0.027 0.000 0.290 226 I C -0.251 175.568 176.117 -0.497 0.000 1.032 226 I CA -0.953 60.226 61.300 -0.201 0.000 1.073 226 I CB 2.303 40.225 38.000 -0.129 0.000 1.251 226 I HN 0.219 nan 8.210 nan 0.000 0.426 227 R N 6.062 126.199 120.500 -0.606 0.000 2.265 227 R HA 0.517 4.873 4.340 0.027 0.000 0.328 227 R C -1.490 174.610 176.300 -0.333 0.000 0.969 227 R CA -0.551 54.938 56.100 -1.017 0.000 0.832 227 R CB 1.438 30.953 30.300 -1.309 0.000 1.139 227 R HN 0.422 nan 8.270 nan 0.000 0.457 228 V N 4.251 124.041 119.914 -0.205 0.000 2.465 228 V HA 0.081 4.217 4.120 0.027 0.000 0.279 228 V C 0.430 176.575 176.094 0.085 0.000 1.045 228 V CA -0.692 61.644 62.300 0.061 0.000 0.938 228 V CB 1.395 33.311 31.823 0.155 0.000 0.986 228 V HN 0.683 nan 8.190 nan 0.000 0.467 229 D N 4.018 124.500 120.400 0.137 0.000 2.302 229 D HA 0.490 5.146 4.640 0.027 0.000 0.248 229 D C 0.650 177.037 176.300 0.146 0.000 1.094 229 D CA 0.605 54.696 54.000 0.151 0.000 0.897 229 D CB 0.983 41.873 40.800 0.150 0.000 1.200 229 D HN 1.136 nan 8.370 nan 0.000 0.429 230 A N 2.538 125.454 122.820 0.160 0.000 2.667 230 A HA -0.161 4.176 4.320 0.027 0.000 0.298 230 A C 1.396 179.033 177.584 0.089 0.000 1.483 230 A CA 0.867 53.012 52.037 0.179 0.000 0.738 230 A CB -2.403 16.741 19.000 0.240 0.000 1.067 230 A HN 1.128 nan 8.150 nan 0.000 0.451 231 V N -1.743 118.181 119.914 0.018 0.000 2.759 231 V HA -0.100 4.036 4.120 0.027 0.000 0.256 231 V C 1.887 177.825 176.094 -0.260 0.000 1.080 231 V CA 2.406 64.669 62.300 -0.062 0.000 1.101 231 V CB -0.574 31.177 31.823 -0.120 0.000 0.698 231 V HN 0.667 nan 8.190 nan 0.000 0.477 232 K N -0.755 119.306 120.400 -0.565 0.000 2.439 232 K HA -0.084 4.253 4.320 0.027 0.000 0.197 232 K C 1.278 177.431 176.600 -0.745 0.000 1.041 232 K CA 0.911 56.599 56.287 -0.999 0.000 0.970 232 K CB -0.089 31.395 32.500 -1.692 0.000 0.773 232 K HN 0.675 nan 8.250 nan 0.000 0.479 233 H N -0.835 118.138 119.070 -0.161 0.000 2.528 233 H HA 0.261 4.834 4.556 0.027 0.000 0.282 233 H C -0.254 174.997 175.328 -0.129 0.000 1.097 233 H CA 0.024 55.983 56.048 -0.149 0.000 1.121 233 H CB 0.271 29.974 29.762 -0.099 0.000 1.590 233 H HN 0.106 nan 8.280 nan 0.000 0.553 234 M N 1.234 120.815 119.600 -0.033 0.000 2.572 234 M HA 0.349 4.845 4.480 0.027 0.000 0.299 234 M C -2.586 173.662 176.300 -0.087 0.000 1.205 234 M CA -1.966 53.305 55.300 -0.048 0.000 0.876 234 M CB 3.012 35.624 32.600 0.020 0.000 1.728 234 M HN -0.206 nan 8.290 nan 0.000 0.458 235 P HA 0.007 nan 4.420 nan 0.000 0.264 235 P C -0.087 177.308 177.300 0.158 0.000 1.193 235 P CA 0.158 63.190 63.100 -0.113 0.000 0.763 235 P CB 0.161 31.884 31.700 0.038 0.000 0.810 236 F N 2.602 122.659 119.950 0.179 0.000 2.216 236 F HA -0.047 4.497 4.527 0.027 0.000 0.300 236 F C 2.557 178.466 175.800 0.181 0.000 1.085 236 F CA 1.463 59.635 58.000 0.287 0.000 1.326 236 F CB -2.074 37.142 39.000 0.361 0.000 1.027 236 F HN 0.362 nan 8.300 nan 0.000 0.497 237 G N -1.422 107.529 108.800 0.252 0.000 2.422 237 G HA2 -0.293 3.683 3.960 0.027 0.000 0.218 237 G HA3 -0.293 3.683 3.960 0.027 0.000 0.218 237 G C 1.561 176.575 174.900 0.189 0.000 1.140 237 G CA 0.499 45.708 45.100 0.181 0.000 0.775 237 G HN 0.472 nan 8.290 nan 0.000 0.545 238 W N 1.227 122.584 121.300 0.095 0.000 2.409 238 W HA 0.004 4.680 4.660 0.026 0.000 0.299 238 W C 2.735 179.318 176.519 0.107 0.000 1.203 238 W CA 1.428 58.821 57.345 0.079 0.000 1.298 238 W CB -0.059 29.399 29.460 -0.004 0.000 1.127 238 W HN 0.259 nan 8.180 nan 0.000 0.528 239 Q N 0.261 120.113 119.800 0.087 0.000 2.124 239 Q HA -0.266 4.090 4.340 0.027 0.000 0.202 239 Q C 2.185 178.160 176.000 -0.043 0.000 0.977 239 Q CA 1.891 57.699 55.803 0.009 0.000 0.850 239 Q CB -0.449 28.501 28.738 0.353 0.000 0.901 239 Q HN 0.335 nan 8.270 nan 0.000 0.429 240 K N 0.661 121.054 120.400 -0.011 0.000 2.097 240 K HA -0.140 4.196 4.320 0.027 0.000 0.205 240 K C 2.233 178.767 176.600 -0.109 0.000 1.050 240 K CA 1.523 57.774 56.287 -0.060 0.000 0.938 240 K CB 0.007 32.498 32.500 -0.014 0.000 0.718 240 K HN 0.197 nan 8.250 nan 0.000 0.442 241 S N -0.100 115.508 115.700 -0.154 0.000 2.406 241 S HA -0.128 4.358 4.470 0.027 0.000 0.228 241 S C 1.864 176.327 174.600 -0.227 0.000 1.020 241 S CA 0.439 58.541 58.200 -0.163 0.000 0.965 241 S CB -0.566 62.555 63.200 -0.132 0.000 0.798 241 S HN 0.385 nan 8.310 nan 0.000 0.488 242 F N 2.533 122.119 119.950 -0.606 0.000 2.102 242 F HA 0.017 4.560 4.527 0.027 0.000 0.298 242 F C 2.333 177.951 175.800 -0.302 0.000 1.105 242 F CA 1.454 59.112 58.000 -0.569 0.000 1.239 242 F CB -0.406 38.038 39.000 -0.926 0.000 0.991 242 F HN 0.094 nan 8.300 nan 0.000 0.474 243 M N 0.325 119.773 119.600 -0.254 0.000 2.117 243 M HA -0.139 4.357 4.480 0.027 0.000 0.262 243 M C 2.509 178.669 176.300 -0.234 0.000 1.065 243 M CA 1.650 56.790 55.300 -0.267 0.000 1.114 243 M CB -2.020 30.485 32.600 -0.159 0.000 1.361 243 M HN 0.312 nan 8.290 nan 0.000 0.408 244 A N -0.482 122.230 122.820 -0.179 0.000 1.933 244 A HA -0.128 4.208 4.320 0.027 0.000 0.218 244 A C 2.309 179.814 177.584 -0.132 0.000 1.175 244 A CA 2.127 54.087 52.037 -0.129 0.000 0.628 244 A CB -1.072 17.872 19.000 -0.094 0.000 0.814 244 A HN 0.473 nan 8.150 nan 0.000 0.444 245 T N 0.430 114.874 114.554 -0.183 0.000 2.720 245 T HA -0.134 4.232 4.350 0.027 0.000 0.268 245 T C 1.775 176.375 174.700 -0.168 0.000 1.037 245 T CA 1.651 63.646 62.100 -0.174 0.000 1.144 245 T CB -0.422 68.317 68.868 -0.215 0.000 0.864 245 T HN 0.448 nan 8.240 nan 0.000 0.444 246 I N 1.420 121.821 120.570 -0.283 0.000 2.113 246 I HA -0.176 4.010 4.170 0.027 0.000 0.238 246 I C 2.381 178.462 176.117 -0.061 0.000 1.070 246 I CA 1.056 62.241 61.300 -0.192 0.000 1.332 246 I CB -0.346 37.461 38.000 -0.321 0.000 1.044 246 I HN 0.147 nan 8.210 nan 0.000 0.402 247 N N 0.948 119.596 118.700 -0.086 0.000 2.309 247 N HA -0.126 4.630 4.740 0.027 0.000 0.182 247 N C 1.255 176.762 175.510 -0.005 0.000 1.018 247 N CA 0.996 54.023 53.050 -0.038 0.000 0.876 247 N CB -0.497 37.958 38.487 -0.054 0.000 0.972 247 N HN 0.344 nan 8.380 nan 0.000 0.434 248 N N -0.532 118.170 118.700 0.004 0.000 2.398 248 N HA -0.024 4.733 4.740 0.027 0.000 0.188 248 N C 0.838 176.403 175.510 0.090 0.000 1.122 248 N CA 0.110 53.178 53.050 0.029 0.000 0.866 248 N CB 0.262 38.759 38.487 0.017 0.000 0.970 248 N HN 0.458 nan 8.380 nan 0.000 0.462 249 Y N 0.513 120.778 120.300 -0.060 0.000 2.687 249 Y HA 0.310 4.876 4.550 0.027 0.000 0.246 249 Y C -0.310 175.568 175.900 -0.037 0.000 1.061 249 Y CA 0.149 58.220 58.100 -0.050 0.000 1.400 249 Y CB 0.775 39.195 38.460 -0.066 0.000 1.325 249 Y HN -0.316 nan 8.280 nan 0.000 0.498 250 K N 2.503 122.798 120.400 -0.175 0.000 2.756 250 K HA 0.292 4.628 4.320 0.027 0.000 0.218 250 K C -2.914 173.655 176.600 -0.052 0.000 1.057 250 K CA -2.121 54.031 56.287 -0.225 0.000 1.056 250 K CB 1.585 33.897 32.500 -0.314 0.000 1.235 250 K HN 0.092 nan 8.250 nan 0.000 0.547 251 P HA -0.024 nan 4.420 nan 0.000 0.267 251 P C -0.272 177.055 177.300 0.045 0.000 1.209 251 P CA -0.137 62.968 63.100 0.009 0.000 0.763 251 P CB 0.894 32.609 31.700 0.024 0.000 0.816 252 V N 1.289 121.239 119.914 0.060 0.000 3.040 252 V HA 0.498 4.635 4.120 0.027 0.000 0.312 252 V C -0.390 175.792 176.094 0.146 0.000 1.115 252 V CA -1.585 60.795 62.300 0.134 0.000 0.998 252 V CB 1.828 33.727 31.823 0.126 0.000 1.042 252 V HN 0.383 nan 8.190 nan 0.000 0.433 253 F N 2.319 122.286 119.950 0.027 0.000 2.571 253 F HA 0.446 4.989 4.527 0.026 0.000 0.390 253 F C 0.380 176.125 175.800 -0.090 0.000 1.043 253 F CA 0.947 58.899 58.000 -0.079 0.000 1.164 253 F CB 0.243 39.044 39.000 -0.332 0.000 1.049 253 F HN 0.770 nan 8.300 nan 0.000 0.552 254 T N 7.941 122.240 114.554 -0.426 0.000 2.841 254 T HA 0.560 4.926 4.350 0.027 0.000 0.283 254 T C -0.998 173.427 174.700 -0.459 0.000 1.000 254 T CA -0.361 61.495 62.100 -0.407 0.000 0.977 254 T CB 1.158 69.899 68.868 -0.211 0.000 0.979 254 T HN 0.482 nan 8.240 nan 0.000 0.446 255 F N -0.467 119.112 119.950 -0.618 0.000 2.626 255 F HA 0.927 5.470 4.527 0.026 0.000 0.311 255 F C -0.028 175.661 175.800 -0.185 0.000 1.088 255 F CA -1.214 56.520 58.000 -0.444 0.000 0.949 255 F CB 1.254 39.895 39.000 -0.599 0.000 1.322 255 F HN 0.750 nan 8.300 nan 0.000 0.461 256 G N 0.087 108.938 108.800 0.085 0.000 2.685 256 G HA2 0.522 4.498 3.960 0.027 0.000 0.298 256 G HA3 0.522 4.498 3.960 0.027 0.000 0.298 256 G C -2.162 172.887 174.900 0.250 0.000 1.277 256 G CA -0.918 44.248 45.100 0.110 0.000 0.986 256 G HN 0.915 nan 8.290 nan 0.000 0.487 257 E N -0.009 120.354 120.200 0.273 0.000 2.133 257 E HA 0.334 4.701 4.350 0.027 0.000 0.274 257 E C -1.479 175.358 176.600 0.395 0.000 0.930 257 E CA -0.914 55.743 56.400 0.427 0.000 0.770 257 E CB 1.310 31.278 29.700 0.447 0.000 1.104 257 E HN 0.431 nan 8.360 nan 0.000 0.403 258 W N 7.851 129.288 121.300 0.228 0.000 2.587 258 W HA 0.298 4.974 4.660 0.026 0.000 0.324 258 W C -1.954 174.559 176.519 -0.009 0.000 1.008 258 W CA -1.558 55.848 57.345 0.101 0.000 1.265 258 W CB 0.554 30.055 29.460 0.069 0.000 1.328 258 W HN 0.510 nan 8.180 nan 0.000 0.432 259 F N 6.170 126.059 119.950 -0.102 0.000 2.471 259 F HA 0.420 4.962 4.527 0.025 0.000 0.353 259 F C -0.465 175.127 175.800 -0.348 0.000 1.113 259 F CA 0.507 58.077 58.000 -0.717 0.000 1.262 259 F CB 0.663 39.387 39.000 -0.460 0.000 1.146 259 F HN 0.171 nan 8.300 nan 0.000 0.578 260 L N 5.281 125.949 121.223 -0.926 0.000 2.386 260 L HA 0.531 4.887 4.340 0.027 0.000 0.271 260 L C 0.412 177.059 176.870 -0.373 0.000 0.993 260 L CA -0.925 53.704 54.840 -0.351 0.000 0.819 260 L CB 1.762 43.617 42.059 -0.339 0.000 1.294 260 L HN 0.754 nan 8.230 nan 0.000 0.414 261 G N 1.267 110.051 108.800 -0.028 0.000 2.563 261 G HA2 0.437 4.414 3.960 0.027 0.000 0.283 261 G HA3 0.437 4.414 3.960 0.027 0.000 0.283 261 G C -0.254 174.659 174.900 0.022 0.000 1.309 261 G CA -0.528 44.629 45.100 0.096 0.000 1.022 261 G HN 0.280 nan 8.290 nan 0.000 0.501 262 V N 1.846 121.792 119.914 0.053 0.000 2.599 262 V HA 0.028 4.164 4.120 0.027 0.000 0.300 262 V C 0.748 176.847 176.094 0.010 0.000 1.034 262 V CA 0.242 62.557 62.300 0.025 0.000 1.115 262 V CB 0.698 32.540 31.823 0.031 0.000 0.934 262 V HN 0.911 nan 8.190 nan 0.000 0.485 263 N N 1.968 120.665 118.700 -0.005 0.000 2.753 263 N HA -0.188 4.568 4.740 0.027 0.000 0.251 263 N C 0.299 175.802 175.510 -0.012 0.000 1.097 263 N CA 1.386 54.431 53.050 -0.009 0.000 0.786 263 N CB -0.581 37.904 38.487 -0.004 0.000 1.137 263 N HN 0.952 nan 8.380 nan 0.000 0.566 264 E N 0.792 120.977 120.200 -0.025 0.000 2.200 264 E HA 0.367 4.733 4.350 0.027 0.000 0.283 264 E C -0.482 176.070 176.600 -0.080 0.000 1.015 264 E CA -0.434 55.945 56.400 -0.035 0.000 0.819 264 E CB 0.609 30.292 29.700 -0.029 0.000 1.081 264 E HN 0.052 nan 8.360 nan 0.000 0.397 265 I N 3.380 123.921 120.570 -0.048 0.000 2.466 265 I HA 0.190 4.376 4.170 0.027 0.000 0.289 265 I C -0.317 175.795 176.117 -0.009 0.000 1.026 265 I CA -0.595 60.681 61.300 -0.041 0.000 1.078 265 I CB 1.242 39.249 38.000 0.011 0.000 1.249 265 I HN 0.364 nan 8.210 nan 0.000 0.429 266 S N 7.387 123.066 115.700 -0.035 0.000 2.502 266 S HA 0.615 5.101 4.470 0.027 0.000 0.304 266 S C -2.095 172.573 174.600 0.114 0.000 1.097 266 S CA -1.350 56.871 58.200 0.035 0.000 1.045 266 S CB 1.998 65.203 63.200 0.008 0.000 1.019 266 S HN 0.327 nan 8.310 nan 0.000 0.481 267 P HA 0.043 nan 4.420 nan 0.000 0.220 267 P C 0.692 178.058 177.300 0.110 0.000 1.152 267 P CA 0.814 63.997 63.100 0.139 0.000 0.812 267 P CB 0.217 31.985 31.700 0.114 0.000 0.792 268 E N -1.446 118.821 120.200 0.111 0.000 2.072 268 E HA -0.198 4.168 4.350 0.027 0.000 0.191 268 E C 1.904 178.316 176.600 -0.312 0.000 0.985 268 E CA 0.911 57.365 56.400 0.091 0.000 0.801 268 E CB -1.197 28.733 29.700 0.383 0.000 0.750 268 E HN 0.309 nan 8.360 nan 0.000 0.452 269 Y N 0.809 120.609 120.300 -0.832 0.000 2.081 269 Y HA -0.316 4.250 4.550 0.027 0.000 0.280 269 Y C 1.958 177.451 175.900 -0.678 0.000 1.163 269 Y CA 2.260 59.539 58.100 -1.369 0.000 1.135 269 Y CB -0.373 37.359 38.460 -1.214 0.000 0.970 269 Y HN 0.166 nan 8.280 nan 0.000 0.498 270 H N -0.880 118.124 119.070 -0.111 0.000 2.428 270 H HA -0.110 4.462 4.556 0.027 0.000 0.296 270 H C 2.336 177.599 175.328 -0.110 0.000 1.062 270 H CA 1.525 57.503 56.048 -0.117 0.000 1.350 270 H CB -0.101 29.608 29.762 -0.088 0.000 1.403 270 H HN 0.445 nan 8.280 nan 0.000 0.533 271 Q N -0.228 119.580 119.800 0.014 0.000 2.079 271 Q HA -0.172 4.184 4.340 0.027 0.000 0.200 271 Q C 1.799 177.772 176.000 -0.045 0.000 0.974 271 Q CA 1.323 57.133 55.803 0.012 0.000 0.840 271 Q CB -0.079 28.692 28.738 0.054 0.000 0.898 271 Q HN 0.443 nan 8.270 nan 0.000 0.430 272 F N 0.625 120.408 119.950 -0.279 0.000 2.075 272 F HA -0.211 4.332 4.527 0.027 0.000 0.297 272 F C 2.095 177.766 175.800 -0.216 0.000 1.113 272 F CA 1.577 59.392 58.000 -0.308 0.000 1.218 272 F CB -0.496 38.223 39.000 -0.468 0.000 0.984 272 F HN 0.116 nan 8.300 nan 0.000 0.472 273 A N 0.352 123.092 122.820 -0.133 0.000 1.948 273 A HA -0.260 4.076 4.320 0.027 0.000 0.220 273 A C 1.930 179.462 177.584 -0.086 0.000 1.177 273 A CA 2.195 54.172 52.037 -0.100 0.000 0.636 273 A CB -0.871 18.142 19.000 0.021 0.000 0.815 273 A HN 0.553 nan 8.150 nan 0.000 0.449 274 N N -0.666 118.001 118.700 -0.055 0.000 2.376 274 N HA -0.006 4.750 4.740 0.027 0.000 0.177 274 N C 1.225 176.684 175.510 -0.085 0.000 1.024 274 N CA 1.238 54.270 53.050 -0.030 0.000 0.893 274 N CB -0.044 38.449 38.487 0.011 0.000 0.980 274 N HN 0.714 nan 8.380 nan 0.000 0.439 275 E N -0.681 119.428 120.200 -0.150 0.000 2.514 275 E HA 0.096 4.463 4.350 0.027 0.000 0.215 275 E C 1.212 177.672 176.600 -0.234 0.000 0.946 275 E CA 0.043 56.355 56.400 -0.147 0.000 1.038 275 E CB 0.391 30.045 29.700 -0.078 0.000 1.069 275 E HN 0.236 nan 8.360 nan 0.000 0.503 276 S N -0.351 115.083 115.700 -0.443 0.000 2.461 276 S HA 0.105 4.591 4.470 0.027 0.000 0.228 276 S C 1.761 176.164 174.600 -0.329 0.000 1.005 276 S CA 0.699 58.584 58.200 -0.526 0.000 0.942 276 S CB 0.314 62.770 63.200 -1.241 0.000 0.776 276 S HN 0.328 nan 8.310 nan 0.000 0.514 277 G N 1.239 109.877 108.800 -0.269 0.000 2.195 277 G HA2 -0.221 3.755 3.960 0.027 0.000 0.224 277 G HA3 -0.221 3.755 3.960 0.027 0.000 0.224 277 G C -0.051 174.747 174.900 -0.169 0.000 0.990 277 G CA 0.169 45.156 45.100 -0.189 0.000 0.639 277 G HN 0.895 nan 8.290 nan 0.000 0.514 278 M N 0.029 119.500 119.600 -0.214 0.000 2.690 278 M HA 0.854 5.350 4.480 0.027 0.000 0.302 278 M C 0.397 176.621 176.300 -0.126 0.000 1.234 278 M CA -0.248 54.962 55.300 -0.149 0.000 0.853 278 M CB 2.017 34.565 32.600 -0.087 0.000 1.748 278 M HN 0.609 nan 8.290 nan 0.000 0.469 279 S N 1.206 116.851 115.700 -0.091 0.000 2.677 279 S HA 0.877 5.363 4.470 0.027 0.000 0.290 279 S C -0.481 174.136 174.600 0.028 0.000 1.124 279 S CA -0.825 57.344 58.200 -0.052 0.000 1.017 279 S CB 1.102 64.271 63.200 -0.052 0.000 1.215 279 S HN 0.781 nan 8.310 nan 0.000 0.524 280 L N -0.120 121.118 121.223 0.026 0.000 2.376 280 L HA 0.490 4.846 4.340 0.027 0.000 0.258 280 L C -0.983 176.000 176.870 0.188 0.000 1.013 280 L CA -1.012 53.910 54.840 0.137 0.000 0.822 280 L CB 1.873 43.938 42.059 0.009 0.000 1.388 280 L HN 0.605 nan 8.230 nan 0.000 0.413 281 L N 1.561 123.005 121.223 0.369 0.000 2.455 281 L HA 0.053 4.409 4.340 0.027 0.000 0.272 281 L C 0.065 177.236 176.870 0.501 0.000 1.174 281 L CA 0.114 55.189 54.840 0.391 0.000 0.869 281 L CB 0.232 42.529 42.059 0.397 0.000 1.130 281 L HN 0.503 nan 8.230 nan 0.000 0.474 282 D N 3.154 123.792 120.400 0.397 0.000 2.558 282 D HA 0.048 4.704 4.640 0.027 0.000 0.221 282 D C 0.850 177.318 176.300 0.280 0.000 1.143 282 D CA 0.017 54.231 54.000 0.356 0.000 1.010 282 D CB 0.209 41.074 40.800 0.107 0.000 1.068 282 D HN 0.282 nan 8.370 nan 0.000 0.511 283 F N 1.142 121.322 119.950 0.383 0.000 2.293 283 F HA -0.040 4.504 4.527 0.028 0.000 0.300 283 F C 2.521 178.318 175.800 -0.005 0.000 1.086 283 F CA 0.625 58.695 58.000 0.117 0.000 1.375 283 F CB 0.042 39.066 39.000 0.040 0.000 1.045 283 F HN 0.273 nan 8.300 nan 0.000 0.516 284 R N -0.232 120.417 120.500 0.248 0.000 2.081 284 R HA -0.232 4.124 4.340 0.027 0.000 0.235 284 R C 2.312 178.717 176.300 0.175 0.000 1.131 284 R CA 1.836 58.028 56.100 0.153 0.000 0.960 284 R CB -0.688 29.736 30.300 0.207 0.000 0.856 284 R HN 0.325 nan 8.270 nan 0.000 0.436 285 F N 0.794 120.788 119.950 0.074 0.000 2.102 285 F HA -0.107 4.435 4.527 0.025 0.000 0.298 285 F C 2.162 177.923 175.800 -0.064 0.000 1.105 285 F CA 1.667 59.689 58.000 0.037 0.000 1.239 285 F CB -0.398 38.613 39.000 0.018 0.000 0.991 285 F HN 0.120 nan 8.300 nan 0.000 0.474 286 A N -0.021 122.758 122.820 -0.068 0.000 1.902 286 A HA -0.198 4.139 4.320 0.027 0.000 0.217 286 A C 2.141 179.640 177.584 -0.142 0.000 1.181 286 A CA 1.632 53.470 52.037 -0.332 0.000 0.623 286 A CB -0.723 17.569 19.000 -1.180 0.000 0.818 286 A HN 0.515 nan 8.150 nan 0.000 0.443 287 Q N -0.532 119.222 119.800 -0.077 0.000 2.079 287 Q HA -0.151 4.205 4.340 0.027 0.000 0.200 287 Q C 2.100 178.084 176.000 -0.027 0.000 0.974 287 Q CA 1.789 57.584 55.803 -0.013 0.000 0.840 287 Q CB -0.358 28.387 28.738 0.011 0.000 0.898 287 Q HN 0.595 nan 8.270 nan 0.000 0.430 288 K N 1.097 121.463 120.400 -0.056 0.000 2.057 288 K HA -0.008 4.328 4.320 0.027 0.000 0.206 288 K C 1.881 178.410 176.600 -0.120 0.000 1.050 288 K CA 1.306 57.540 56.287 -0.089 0.000 0.935 288 K CB -0.548 31.896 32.500 -0.095 0.000 0.715 288 K HN 0.127 nan 8.250 nan 0.000 0.439 289 A N 0.841 123.584 122.820 -0.129 0.000 1.908 289 A HA -0.198 4.138 4.320 0.027 0.000 0.218 289 A C 2.151 179.867 177.584 0.219 0.000 1.181 289 A CA 1.854 53.906 52.037 0.026 0.000 0.627 289 A CB -0.485 18.552 19.000 0.062 0.000 0.818 289 A HN 0.359 nan 8.150 nan 0.000 0.445 290 R N -0.825 119.780 120.500 0.174 0.000 2.075 290 R HA -0.109 4.247 4.340 0.027 0.000 0.232 290 R C 2.497 178.807 176.300 0.016 0.000 1.126 290 R CA 1.501 57.695 56.100 0.157 0.000 0.963 290 R CB -0.320 30.028 30.300 0.081 0.000 0.858 290 R HN 0.683 nan 8.270 nan 0.000 0.435 291 Q N -0.034 119.751 119.800 -0.026 0.000 2.135 291 Q HA -0.144 4.212 4.340 0.027 0.000 0.204 291 Q C 2.128 178.060 176.000 -0.114 0.000 0.981 291 Q CA 1.574 57.337 55.803 -0.066 0.000 0.856 291 Q CB 0.064 28.760 28.738 -0.070 0.000 0.902 291 Q HN 0.199 nan 8.270 nan 0.000 0.425 292 V N -0.687 119.110 119.914 -0.195 0.000 2.379 292 V HA -0.136 4.000 4.120 0.027 0.000 0.243 292 V C 1.520 177.384 176.094 -0.384 0.000 1.035 292 V CA 1.536 63.602 62.300 -0.390 0.000 1.035 292 V CB -0.297 31.114 31.823 -0.688 0.000 0.673 292 V HN 0.257 nan 8.190 nan 0.000 0.457 293 F N -0.801 119.159 119.950 0.017 0.000 2.714 293 F HA 0.230 4.773 4.527 0.027 0.000 0.294 293 F C 2.382 178.289 175.800 0.178 0.000 1.120 293 F CA 0.533 58.613 58.000 0.133 0.000 1.398 293 F CB 0.155 39.296 39.000 0.235 0.000 1.120 293 F HN -0.091 nan 8.300 nan 0.000 0.589 294 R N 0.138 120.718 120.500 0.134 0.000 2.098 294 R HA 0.027 4.383 4.340 0.027 0.000 0.203 294 R C 1.160 177.379 176.300 -0.134 0.000 1.166 294 R CA 0.854 56.826 56.100 -0.214 0.000 1.090 294 R CB 0.042 29.869 30.300 -0.788 0.000 0.992 294 R HN 0.008 nan 8.270 nan 0.000 0.477 295 D N 0.235 120.567 120.400 -0.114 0.000 2.327 295 D HA -0.041 4.615 4.640 0.027 0.000 0.205 295 D C -0.045 176.219 176.300 -0.060 0.000 0.989 295 D CA 0.402 54.350 54.000 -0.087 0.000 0.873 295 D CB -0.025 40.727 40.800 -0.080 0.000 0.955 295 D HN 0.187 nan 8.370 nan 0.000 0.515 296 N N 0.498 119.161 118.700 -0.062 0.000 2.758 296 N HA -0.161 4.595 4.740 0.027 0.000 0.248 296 N C 0.152 175.630 175.510 -0.054 0.000 1.076 296 N CA 1.113 54.128 53.050 -0.059 0.000 0.696 296 N CB -1.632 36.833 38.487 -0.038 0.000 0.979 296 N HN 0.243 nan 8.380 nan 0.000 0.550 297 T N -4.111 110.408 114.554 -0.059 0.000 3.134 297 T HA 0.352 4.719 4.350 0.027 0.000 0.260 297 T C 0.105 174.775 174.700 -0.051 0.000 1.027 297 T CA -0.034 62.038 62.100 -0.046 0.000 0.913 297 T CB 0.749 69.594 68.868 -0.038 0.000 1.046 297 T HN 0.263 nan 8.240 nan 0.000 0.553 298 D N 0.843 121.200 120.400 -0.071 0.000 2.692 298 D HA 0.358 5.014 4.640 0.027 0.000 0.290 298 D C -1.512 174.728 176.300 -0.101 0.000 1.281 298 D CA -0.458 53.499 54.000 -0.073 0.000 0.804 298 D CB 1.850 42.602 40.800 -0.080 0.000 1.331 298 D HN 0.299 nan 8.370 nan 0.000 0.432 299 N N -0.553 118.096 118.700 -0.085 0.000 3.091 299 N HA 0.266 5.022 4.740 0.027 0.000 0.329 299 N C 0.849 176.267 175.510 -0.152 0.000 1.430 299 N CA -0.491 52.496 53.050 -0.106 0.000 0.755 299 N CB 0.193 38.670 38.487 -0.017 0.000 1.626 299 N HN 0.195 nan 8.380 nan 0.000 0.614 300 M N -0.734 118.748 119.600 -0.197 0.000 2.267 300 M HA -0.064 4.432 4.480 0.027 0.000 0.263 300 M C 1.198 177.325 176.300 -0.289 0.000 1.063 300 M CA 1.481 56.614 55.300 -0.278 0.000 1.090 300 M CB -1.398 31.027 32.600 -0.291 0.000 1.392 300 M HN 0.554 nan 8.290 nan 0.000 0.422 301 Y N -0.033 120.217 120.300 -0.084 0.000 2.274 301 Y HA -0.107 4.459 4.550 0.028 0.000 0.290 301 Y C 2.575 178.436 175.900 -0.065 0.000 1.145 301 Y CA 1.354 59.416 58.100 -0.064 0.000 1.203 301 Y CB -0.800 37.624 38.460 -0.060 0.000 0.984 301 Y HN 0.323 nan 8.280 nan 0.000 0.533 302 G N -0.639 108.182 108.800 0.035 0.000 2.403 302 G HA2 -0.210 3.766 3.960 0.027 0.000 0.216 302 G HA3 -0.210 3.766 3.960 0.027 0.000 0.216 302 G C 1.564 176.430 174.900 -0.057 0.000 1.154 302 G CA 0.634 45.727 45.100 -0.011 0.000 0.784 302 G HN 0.295 nan 8.290 nan 0.000 0.538 303 L N 0.823 121.969 121.223 -0.128 0.000 2.017 303 L HA 0.035 4.391 4.340 0.027 0.000 0.208 303 L C 2.752 179.583 176.870 -0.066 0.000 1.073 303 L CA 2.379 57.124 54.840 -0.158 0.000 0.745 303 L CB -0.404 41.470 42.059 -0.307 0.000 0.894 303 L HN 0.252 nan 8.230 nan 0.000 0.432 304 K N -0.660 119.705 120.400 -0.059 0.000 2.020 304 K HA -0.242 4.094 4.320 0.027 0.000 0.212 304 K C 1.935 178.554 176.600 0.031 0.000 1.050 304 K CA 1.724 58.008 56.287 -0.003 0.000 0.929 304 K CB -0.325 32.163 32.500 -0.020 0.000 0.714 304 K HN 0.418 nan 8.250 nan 0.000 0.443 305 A N 1.472 124.312 122.820 0.033 0.000 1.969 305 A HA -0.155 4.182 4.320 0.027 0.000 0.218 305 A C 2.114 179.719 177.584 0.035 0.000 1.169 305 A CA 1.451 53.511 52.037 0.038 0.000 0.635 305 A CB -0.518 18.502 19.000 0.033 0.000 0.810 305 A HN 0.502 nan 8.150 nan 0.000 0.445 306 M N -0.136 119.482 119.600 0.030 0.000 2.099 306 M HA -0.063 4.433 4.480 0.027 0.000 0.262 306 M C 1.951 178.313 176.300 0.105 0.000 1.067 306 M CA 1.712 57.046 55.300 0.056 0.000 1.124 306 M CB -0.845 31.774 32.600 0.033 0.000 1.353 306 M HN 0.418 nan 8.290 nan 0.000 0.410 307 L N 0.031 121.318 121.223 0.107 0.000 2.046 307 L HA -0.220 4.136 4.340 0.027 0.000 0.208 307 L C 2.294 179.233 176.870 0.115 0.000 1.077 307 L CA 1.513 56.437 54.840 0.139 0.000 0.747 307 L CB -0.661 41.464 42.059 0.110 0.000 0.896 307 L HN 0.348 nan 8.230 nan 0.000 0.432 308 E N -0.282 119.968 120.200 0.084 0.000 2.107 308 E HA -0.128 4.238 4.350 0.027 0.000 0.191 308 E C 2.208 178.838 176.600 0.049 0.000 0.982 308 E CA 0.895 57.336 56.400 0.068 0.000 0.809 308 E CB -0.200 29.536 29.700 0.060 0.000 0.756 308 E HN 0.533 nan 8.360 nan 0.000 0.459 309 G N 0.908 109.731 108.800 0.038 0.000 2.394 309 G HA2 -0.252 3.725 3.960 0.027 0.000 0.215 309 G HA3 -0.252 3.725 3.960 0.027 0.000 0.215 309 G C 1.724 176.616 174.900 -0.014 0.000 1.165 309 G CA 0.930 46.028 45.100 -0.003 0.000 0.784 309 G HN 0.362 nan 8.290 nan 0.000 0.535 310 S N 0.612 116.350 115.700 0.063 0.000 2.402 310 S HA -0.040 4.447 4.470 0.027 0.000 0.229 310 S C 1.889 176.612 174.600 0.205 0.000 1.021 310 S CA 1.277 59.553 58.200 0.127 0.000 0.974 310 S CB -0.214 63.199 63.200 0.356 0.000 0.800 310 S HN 0.369 nan 8.310 nan 0.000 0.484 311 E N 0.964 121.258 120.200 0.157 0.000 2.114 311 E HA -0.127 4.239 4.350 0.027 0.000 0.199 311 E C 2.147 178.799 176.600 0.086 0.000 1.008 311 E CA 1.570 58.048 56.400 0.131 0.000 0.810 311 E CB -0.360 29.395 29.700 0.091 0.000 0.739 311 E HN 0.501 nan 8.360 nan 0.000 0.456 312 V N 1.414 121.345 119.914 0.028 0.000 2.379 312 V HA -0.159 3.977 4.120 0.027 0.000 0.243 312 V C 1.746 177.801 176.094 -0.064 0.000 1.035 312 V CA 1.614 63.904 62.300 -0.018 0.000 1.035 312 V CB -0.298 31.505 31.823 -0.034 0.000 0.673 312 V HN 0.080 nan 8.190 nan 0.000 0.457 313 D N -1.159 119.139 120.400 -0.169 0.000 2.178 313 D HA -0.081 4.576 4.640 0.027 0.000 0.202 313 D C 0.404 176.570 176.300 -0.223 0.000 0.974 313 D CA 0.956 54.748 54.000 -0.346 0.000 0.841 313 D CB -0.182 40.140 40.800 -0.797 0.000 0.953 313 D HN 0.416 nan 8.370 nan 0.000 0.478 314 Y N 0.182 120.501 120.300 0.032 0.000 2.365 314 Y HA 0.380 4.946 4.550 0.027 0.000 0.340 314 Y C 1.247 177.159 175.900 0.020 0.000 1.016 314 Y CA -0.815 57.336 58.100 0.085 0.000 1.196 314 Y CB 1.335 39.858 38.460 0.106 0.000 1.167 314 Y HN -0.169 nan 8.280 nan 0.000 0.509 315 A N 2.821 125.740 122.820 0.164 0.000 1.968 315 A HA -0.093 4.243 4.320 0.027 0.000 0.217 315 A C 0.676 178.276 177.584 0.027 0.000 1.169 315 A CA 0.957 53.028 52.037 0.056 0.000 0.638 315 A CB -0.141 18.875 19.000 0.027 0.000 0.812 315 A HN 0.767 nan 8.150 nan 0.000 0.446 316 Q N -0.982 118.866 119.800 0.080 0.000 2.907 316 Q HA 0.388 4.745 4.340 0.027 0.000 0.262 316 Q C 0.348 176.383 176.000 0.058 0.000 0.997 316 Q CA -0.136 55.706 55.803 0.065 0.000 0.797 316 Q CB 1.297 30.110 28.738 0.125 0.000 1.228 316 Q HN 0.112 nan 8.270 nan 0.000 0.466 317 V N 1.504 121.456 119.914 0.064 0.000 2.759 317 V HA -0.202 3.934 4.120 0.027 0.000 0.256 317 V C 0.968 177.024 176.094 -0.065 0.000 1.080 317 V CA 1.660 63.949 62.300 -0.019 0.000 1.101 317 V CB 0.062 31.951 31.823 0.110 0.000 0.698 317 V HN 0.698 nan 8.190 nan 0.000 0.477 318 N N 0.479 119.195 118.700 0.026 0.000 2.512 318 N HA -0.072 4.684 4.740 0.027 0.000 0.183 318 N C 1.074 176.581 175.510 -0.004 0.000 1.073 318 N CA 1.065 54.131 53.050 0.027 0.000 0.911 318 N CB -0.165 38.406 38.487 0.141 0.000 0.964 318 N HN 0.530 nan 8.380 nan 0.000 0.447 319 D N 0.024 120.434 120.400 0.016 0.000 2.349 319 D HA 0.038 4.694 4.640 0.027 0.000 0.214 319 D C 0.035 176.344 176.300 0.015 0.000 1.063 319 D CA 0.232 54.286 54.000 0.090 0.000 0.847 319 D CB 0.368 41.276 40.800 0.181 0.000 0.933 319 D HN 0.112 nan 8.370 nan 0.000 0.513 320 Q N 0.567 120.264 119.800 -0.172 0.000 2.259 320 Q HA 0.269 4.625 4.340 0.027 0.000 0.249 320 Q C -0.063 175.800 176.000 -0.227 0.000 0.914 320 Q CA -0.421 55.222 55.803 -0.267 0.000 0.904 320 Q CB 2.184 30.596 28.738 -0.544 0.000 1.213 320 Q HN -0.124 nan 8.270 nan 0.000 0.428 321 V N 3.046 122.837 119.914 -0.206 0.000 2.348 321 V HA 0.252 4.389 4.120 0.027 0.000 0.270 321 V C 0.579 176.648 176.094 -0.042 0.000 1.037 321 V CA -0.505 61.663 62.300 -0.220 0.000 0.872 321 V CB 0.683 32.183 31.823 -0.537 0.000 1.002 321 V HN 0.877 nan 8.190 nan 0.000 0.464 322 T N 2.760 117.223 114.554 -0.151 0.000 2.902 322 T HA 0.882 5.248 4.350 0.027 0.000 0.280 322 T C -0.605 174.190 174.700 0.159 0.000 0.992 322 T CA -0.502 61.461 62.100 -0.228 0.000 1.015 322 T CB 1.672 69.972 68.868 -0.947 0.000 1.044 322 T HN 0.745 nan 8.240 nan 0.000 0.520 323 F N -1.271 118.703 119.950 0.039 0.000 2.842 323 F HA 0.506 5.048 4.527 0.024 0.000 0.319 323 F C -0.166 175.758 175.800 0.207 0.000 1.159 323 F CA -1.336 56.727 58.000 0.104 0.000 0.902 323 F CB 0.711 39.749 39.000 0.063 0.000 1.311 323 F HN 0.563 nan 8.300 nan 0.000 0.453 324 I N -1.744 118.979 120.570 0.254 0.000 4.288 324 I HA 0.473 4.660 4.170 0.027 0.000 0.331 324 I C -0.917 175.424 176.117 0.373 0.000 1.322 324 I CA 0.039 61.466 61.300 0.213 0.000 1.149 324 I CB 0.692 38.737 38.000 0.075 0.000 1.112 324 I HN 0.637 nan 8.210 nan 0.000 0.403 325 D N 0.662 121.341 120.400 0.465 0.000 2.725 325 D HA 0.418 5.075 4.640 0.027 0.000 0.292 325 D C -1.031 175.355 176.300 0.143 0.000 1.288 325 D CA -0.598 53.620 54.000 0.362 0.000 0.784 325 D CB 0.833 41.817 40.800 0.308 0.000 1.308 325 D HN 0.262 nan 8.370 nan 0.000 0.429 326 N N -2.574 115.975 118.700 -0.252 0.000 3.427 326 N HA 0.089 4.845 4.740 0.027 0.000 0.313 326 N C 0.744 175.679 175.510 -0.958 0.000 1.491 326 N CA -0.344 52.175 53.050 -0.886 0.000 0.870 326 N CB -0.243 37.920 38.487 -0.541 0.000 1.763 326 N HN 0.556 nan 8.380 nan 0.000 0.502 327 H N -1.697 116.875 119.070 -0.830 0.000 2.518 327 H HA 0.061 4.633 4.556 0.026 0.000 0.292 327 H C -0.666 174.645 175.328 -0.029 0.000 1.068 327 H CA 1.285 57.150 56.048 -0.305 0.000 1.275 327 H CB -0.264 29.534 29.762 0.059 0.000 1.375 327 H HN 0.517 nan 8.280 nan 0.000 0.563 328 D N 0.368 120.519 120.400 -0.415 0.000 2.501 328 D HA 0.281 4.938 4.640 0.027 0.000 0.226 328 D C 0.145 176.542 176.300 0.161 0.000 1.198 328 D CA 0.035 53.990 54.000 -0.075 0.000 0.830 328 D CB 0.475 41.290 40.800 0.024 0.000 1.014 328 D HN 0.372 nan 8.370 nan 0.000 0.496 329 M N 0.083 119.738 119.600 0.092 0.000 2.531 329 M HA 0.272 4.769 4.480 0.027 0.000 0.286 329 M C -0.346 176.015 176.300 0.102 0.000 1.232 329 M CA -0.827 54.574 55.300 0.169 0.000 0.877 329 M CB 2.919 35.657 32.600 0.230 0.000 1.726 329 M HN -0.269 nan 8.290 nan 0.000 0.463 330 E N 1.906 122.168 120.200 0.104 0.000 2.415 330 E HA 0.137 4.503 4.350 0.027 0.000 0.262 330 E C -0.454 176.214 176.600 0.112 0.000 1.038 330 E CA -0.272 56.177 56.400 0.081 0.000 0.921 330 E CB 0.563 30.294 29.700 0.052 0.000 0.950 330 E HN 0.311 nan 8.360 nan 0.000 0.438 331 R N 1.538 122.113 120.500 0.125 0.000 2.698 331 R HA -0.072 4.284 4.340 0.027 0.000 0.266 331 R C 0.878 177.302 176.300 0.207 0.000 1.026 331 R CA 0.248 56.460 56.100 0.188 0.000 1.102 331 R CB 0.063 30.462 30.300 0.165 0.000 0.978 331 R HN 0.644 nan 8.270 nan 0.000 0.436 332 F N 1.993 122.031 119.950 0.147 0.000 2.113 332 F HA -0.142 4.394 4.527 0.014 0.000 0.297 332 F C 1.533 177.438 175.800 0.174 0.000 1.103 332 F CA 1.348 59.438 58.000 0.151 0.000 1.248 332 F CB -0.078 39.018 39.000 0.160 0.000 0.999 332 F HN 0.489 nan 8.300 nan 0.000 0.475 333 H N 1.072 120.383 119.070 0.402 0.000 2.764 333 H HA 0.158 4.703 4.556 -0.019 0.000 0.341 333 H C -0.379 175.035 175.328 0.144 0.000 1.072 333 H CA 0.199 56.424 56.048 0.295 0.000 1.444 333 H CB 0.738 30.692 29.762 0.321 0.000 1.458 333 H HN 0.199 nan 8.280 nan 0.000 0.572 334 T N 1.722 116.051 114.554 -0.375 0.000 2.934 334 T HA 0.203 4.569 4.350 0.027 0.000 0.283 334 T C 0.185 174.603 174.700 -0.469 0.000 1.005 334 T CA -1.104 60.809 62.100 -0.312 0.000 1.041 334 T CB 1.206 69.958 68.868 -0.192 0.000 1.042 334 T HN 0.502 nan 8.240 nan 0.000 0.505 335 S N 2.795 118.369 115.700 -0.211 0.000 2.571 335 S HA 0.066 4.552 4.470 0.027 0.000 0.297 335 S C 0.950 175.480 174.600 -0.118 0.000 1.234 335 S CA 0.378 58.502 58.200 -0.127 0.000 1.120 335 S CB -1.202 61.967 63.200 -0.052 0.000 0.923 335 S HN 1.150 nan 8.310 nan 0.000 0.504 336 N N 1.358 120.007 118.700 -0.084 0.000 2.689 336 N HA -0.168 4.588 4.740 0.027 0.000 0.263 336 N C 0.038 175.534 175.510 -0.024 0.000 0.987 336 N CA 0.636 53.682 53.050 -0.006 0.000 0.782 336 N CB -1.180 37.315 38.487 0.013 0.000 0.903 336 N HN 0.652 nan 8.380 nan 0.000 0.547 337 G N 0.151 108.900 108.800 -0.085 0.000 2.491 337 G HA2 0.341 4.317 3.960 0.027 0.000 0.327 337 G HA3 0.341 4.317 3.960 0.027 0.000 0.327 337 G C -0.931 174.076 174.900 0.177 0.000 1.189 337 G CA -0.492 44.594 45.100 -0.022 0.000 0.956 337 G HN 0.460 nan 8.290 nan 0.000 0.491 338 D N -0.473 120.024 120.400 0.161 0.000 2.363 338 D HA 0.067 4.723 4.640 0.027 0.000 0.263 338 D C 1.664 178.115 176.300 0.252 0.000 1.258 338 D CA -0.105 53.997 54.000 0.170 0.000 0.907 338 D CB 0.697 41.571 40.800 0.124 0.000 1.107 338 D HN 0.331 nan 8.370 nan 0.000 0.495 339 R N 2.537 123.131 120.500 0.156 0.000 2.159 339 R HA -0.154 4.202 4.340 0.027 0.000 0.237 339 R C 1.730 178.123 176.300 0.155 0.000 1.131 339 R CA 0.845 56.974 56.100 0.048 0.000 0.982 339 R CB 0.019 30.130 30.300 -0.315 0.000 0.868 339 R HN 0.232 nan 8.270 nan 0.000 0.453 340 R N 1.622 122.198 120.500 0.127 0.000 2.193 340 R HA -0.078 4.279 4.340 0.027 0.000 0.229 340 R C 1.323 177.719 176.300 0.162 0.000 1.110 340 R CA 1.527 57.701 56.100 0.123 0.000 0.988 340 R CB -0.051 30.306 30.300 0.096 0.000 0.871 340 R HN 0.130 nan 8.270 nan 0.000 0.458 341 K N -0.303 120.244 120.400 0.244 0.000 2.026 341 K HA -0.144 4.192 4.320 0.027 0.000 0.208 341 K C 1.861 178.651 176.600 0.316 0.000 1.048 341 K CA 1.522 58.020 56.287 0.351 0.000 0.929 341 K CB -0.375 32.402 32.500 0.462 0.000 0.713 341 K HN 0.104 nan 8.250 nan 0.000 0.439 342 L N 2.059 123.479 121.223 0.328 0.000 2.046 342 L HA -0.174 4.183 4.340 0.027 0.000 0.208 342 L C 1.774 178.572 176.870 -0.119 0.000 1.077 342 L CA 1.835 56.681 54.840 0.011 0.000 0.747 342 L CB -0.321 41.860 42.059 0.204 0.000 0.896 342 L HN 0.134 nan 8.230 nan 0.000 0.432 343 E N -0.944 119.269 120.200 0.021 0.000 2.077 343 E HA -0.247 4.120 4.350 0.027 0.000 0.193 343 E C 2.171 178.720 176.600 -0.084 0.000 0.989 343 E CA 1.476 57.869 56.400 -0.012 0.000 0.800 343 E CB -0.153 29.589 29.700 0.070 0.000 0.746 343 E HN 0.655 nan 8.360 nan 0.000 0.452 344 Q N 0.088 119.831 119.800 -0.096 0.000 2.079 344 Q HA -0.102 4.254 4.340 0.027 0.000 0.200 344 Q C 2.272 178.020 176.000 -0.420 0.000 0.974 344 Q CA 1.224 56.911 55.803 -0.192 0.000 0.840 344 Q CB -0.126 28.524 28.738 -0.146 0.000 0.898 344 Q HN 0.235 nan 8.270 nan 0.000 0.430 345 A N 0.898 123.398 122.820 -0.533 0.000 1.930 345 A HA -0.120 4.216 4.320 0.027 0.000 0.217 345 A C 2.077 179.482 177.584 -0.298 0.000 1.175 345 A CA 0.913 52.580 52.037 -0.617 0.000 0.627 345 A CB -0.559 18.011 19.000 -0.717 0.000 0.815 345 A HN 0.251 nan 8.150 nan 0.000 0.443 346 L N -0.786 120.276 121.223 -0.269 0.000 2.046 346 L HA -0.187 4.169 4.340 0.027 0.000 0.208 346 L C 3.109 179.922 176.870 -0.095 0.000 1.077 346 L CA 1.065 55.813 54.840 -0.153 0.000 0.747 346 L CB -0.551 41.422 42.059 -0.143 0.000 0.896 346 L HN 0.429 nan 8.230 nan 0.000 0.432 347 A N -0.134 122.628 122.820 -0.096 0.000 1.902 347 A HA -0.278 4.058 4.320 0.027 0.000 0.217 347 A C 2.172 179.763 177.584 0.012 0.000 1.181 347 A CA 1.619 53.623 52.037 -0.056 0.000 0.623 347 A CB -0.840 18.123 19.000 -0.062 0.000 0.818 347 A HN 0.406 nan 8.150 nan 0.000 0.443 348 F N 1.630 121.507 119.950 -0.121 0.000 2.069 348 F HA -0.175 4.367 4.527 0.024 0.000 0.298 348 F C 2.445 178.321 175.800 0.127 0.000 1.113 348 F CA 2.401 60.406 58.000 0.008 0.000 1.214 348 F CB -0.913 37.953 39.000 -0.223 0.000 0.978 348 F HN 0.216 nan 8.300 nan 0.000 0.474 349 T N 1.542 116.039 114.554 -0.095 0.000 2.746 349 T HA -0.152 4.214 4.350 0.027 0.000 0.267 349 T C 2.167 176.777 174.700 -0.150 0.000 1.039 349 T CA 1.719 63.767 62.100 -0.085 0.000 1.142 349 T CB -0.573 68.331 68.868 0.059 0.000 0.866 349 T HN 0.262 nan 8.240 nan 0.000 0.444 350 L N 1.365 122.528 121.223 -0.100 0.000 2.201 350 L HA -0.037 4.320 4.340 0.027 0.000 0.212 350 L C 2.684 179.493 176.870 -0.102 0.000 1.105 350 L CA 1.304 56.085 54.840 -0.099 0.000 0.775 350 L CB -0.761 41.249 42.059 -0.081 0.000 0.913 350 L HN 0.430 nan 8.230 nan 0.000 0.440 351 T N -5.442 109.067 114.554 -0.074 0.000 3.086 351 T HA 0.179 4.545 4.350 0.027 0.000 0.250 351 T C 0.800 175.502 174.700 0.004 0.000 1.074 351 T CA -0.277 61.813 62.100 -0.016 0.000 0.988 351 T CB 0.231 69.127 68.868 0.047 0.000 0.988 351 T HN 0.008 nan 8.240 nan 0.000 0.530 352 S N 2.230 117.838 115.700 -0.154 0.000 2.730 352 S HA 0.605 5.091 4.470 0.027 0.000 0.284 352 S C 0.372 174.849 174.600 -0.205 0.000 1.153 352 S CA -1.085 56.988 58.200 -0.212 0.000 0.995 352 S CB 0.911 63.868 63.200 -0.406 0.000 1.058 352 S HN 0.607 nan 8.310 nan 0.000 0.552 353 R N 0.664 121.066 120.500 -0.164 0.000 2.738 353 R HA 0.573 4.929 4.340 0.027 0.000 0.268 353 R C 0.633 176.785 176.300 -0.247 0.000 1.062 353 R CA 0.502 56.514 56.100 -0.147 0.000 1.158 353 R CB -1.410 28.859 30.300 -0.051 0.000 1.046 353 R HN 0.977 nan 8.270 nan 0.000 0.493 354 G N -0.254 108.426 108.800 -0.200 0.000 2.451 354 G HA2 -0.147 3.830 3.960 0.027 0.000 0.208 354 G HA3 -0.147 3.830 3.960 0.027 0.000 0.208 354 G C -1.495 173.269 174.900 -0.228 0.000 1.248 354 G CA -0.329 44.633 45.100 -0.230 0.000 0.989 354 G HN 0.725 nan 8.290 nan 0.000 0.559 355 V N 2.927 122.702 119.914 -0.232 0.000 2.380 355 V HA 0.541 4.678 4.120 0.027 0.000 0.286 355 V C -1.965 174.028 176.094 -0.169 0.000 1.015 355 V CA -0.848 61.333 62.300 -0.197 0.000 0.834 355 V CB 1.852 33.547 31.823 -0.212 0.000 1.009 355 V HN 0.707 nan 8.190 nan 0.000 0.428 356 P HA 0.415 nan 4.420 nan 0.000 0.276 356 P C -0.722 176.602 177.300 0.040 0.000 1.230 356 P CA -0.021 63.033 63.100 -0.076 0.000 0.776 356 P CB 1.778 33.421 31.700 -0.096 0.000 0.888 357 A N 4.555 127.452 122.820 0.129 0.000 2.342 357 A HA 0.697 5.033 4.320 0.027 0.000 0.323 357 A C -0.442 177.280 177.584 0.230 0.000 1.125 357 A CA -0.873 51.308 52.037 0.241 0.000 0.785 357 A CB 0.727 19.953 19.000 0.377 0.000 1.221 357 A HN 0.481 nan 8.150 nan 0.000 0.463 358 I N 2.094 122.786 120.570 0.203 0.000 2.378 358 I HA 0.227 4.413 4.170 0.027 0.000 0.291 358 I C -0.878 175.284 176.117 0.074 0.000 0.992 358 I CA -0.662 60.728 61.300 0.150 0.000 1.154 358 I CB 1.496 39.591 38.000 0.159 0.000 1.315 358 I HN 0.713 nan 8.210 nan 0.000 0.448 359 Y N 7.981 128.230 120.300 -0.086 0.000 2.377 359 Y HA 0.140 4.707 4.550 0.028 0.000 0.330 359 Y C -0.018 175.675 175.900 -0.345 0.000 1.108 359 Y CA -1.108 56.879 58.100 -0.188 0.000 1.308 359 Y CB 0.261 38.656 38.460 -0.108 0.000 1.216 359 Y HN 0.452 nan 8.280 nan 0.000 0.518 360 Y N 3.449 123.288 120.300 -0.769 0.000 2.805 360 Y HA 0.318 4.888 4.550 0.034 0.000 0.337 360 Y C 1.124 176.856 175.900 -0.281 0.000 1.252 360 Y CA -0.300 57.396 58.100 -0.672 0.000 1.515 360 Y CB -0.008 38.167 38.460 -0.474 0.000 1.305 360 Y HN 0.917 nan 8.280 nan 0.000 0.600 361 G N 1.601 110.387 108.800 -0.024 0.000 2.199 361 G HA2 -0.378 3.599 3.960 0.027 0.000 0.254 361 G HA3 -0.378 3.599 3.960 0.027 0.000 0.254 361 G C 1.146 175.974 174.900 -0.121 0.000 0.982 361 G CA 0.529 45.566 45.100 -0.107 0.000 0.632 361 G HN 0.781 nan 8.290 nan 0.000 0.529 362 S N 1.149 116.781 115.700 -0.114 0.000 2.370 362 S HA -0.126 4.361 4.470 0.027 0.000 0.226 362 S C 2.129 176.607 174.600 -0.202 0.000 1.033 362 S CA 1.824 59.966 58.200 -0.096 0.000 1.011 362 S CB -0.244 62.932 63.200 -0.041 0.000 0.852 362 S HN 0.875 nan 8.310 nan 0.000 0.457 363 E N 1.015 121.159 120.200 -0.093 0.000 2.409 363 E HA -0.138 4.228 4.350 0.027 0.000 0.198 363 E C 0.810 177.304 176.600 -0.177 0.000 1.024 363 E CA 0.815 57.133 56.400 -0.137 0.000 0.861 363 E CB -0.249 29.510 29.700 0.098 0.000 0.788 363 E HN 0.412 nan 8.360 nan 0.000 0.521 364 Q N -0.102 119.642 119.800 -0.093 0.000 2.198 364 Q HA 0.082 4.438 4.340 0.027 0.000 0.209 364 Q C -0.526 175.526 176.000 0.087 0.000 0.848 364 Q CA -0.431 55.382 55.803 0.017 0.000 0.974 364 Q CB -0.335 28.429 28.738 0.044 0.000 1.115 364 Q HN 0.341 nan 8.270 nan 0.000 0.494 365 Y N -0.745 119.559 120.300 0.006 0.000 3.168 365 Y HA -0.280 4.309 4.550 0.065 0.000 0.207 365 Y C 0.301 176.259 175.900 0.096 0.000 1.280 365 Y CA 0.150 58.232 58.100 -0.030 0.000 1.235 365 Y CB -2.404 35.927 38.460 -0.215 0.000 1.370 365 Y HN 0.207 nan 8.280 nan 0.000 0.537 366 M N 0.920 120.598 119.600 0.129 0.000 2.238 366 M HA 0.282 4.779 4.480 0.027 0.000 0.347 366 M C 0.650 177.049 176.300 0.164 0.000 1.173 366 M CA 0.597 55.954 55.300 0.096 0.000 1.147 366 M CB 0.756 33.326 32.600 -0.049 0.000 1.547 366 M HN 0.444 nan 8.290 nan 0.000 0.455 367 S N 1.293 117.075 115.700 0.137 0.000 2.677 367 S HA 1.029 5.515 4.470 0.027 0.000 0.304 367 S C -0.342 174.292 174.600 0.057 0.000 1.108 367 S CA -0.502 57.763 58.200 0.108 0.000 0.944 367 S CB 2.287 65.527 63.200 0.066 0.000 1.127 367 S HN 1.091 nan 8.310 nan 0.000 0.511 368 G N -0.933 107.894 108.800 0.045 0.000 2.368 368 G HA2 0.500 4.476 3.960 0.027 0.000 0.303 368 G HA3 0.500 4.476 3.960 0.027 0.000 0.303 368 G C -0.230 174.692 174.900 0.038 0.000 1.590 368 G CA -0.335 44.785 45.100 0.033 0.000 0.938 368 G HN 1.068 nan 8.290 nan 0.000 0.675 369 G N -0.237 108.578 108.800 0.026 0.000 2.546 369 G HA2 0.480 4.456 3.960 0.027 0.000 0.239 369 G HA3 0.480 4.456 3.960 0.027 0.000 0.239 369 G C 0.245 175.166 174.900 0.035 0.000 1.476 369 G CA -0.536 44.580 45.100 0.026 0.000 1.064 369 G HN 0.689 nan 8.290 nan 0.000 0.561 370 N N 0.607 119.323 118.700 0.027 0.000 2.399 370 N HA 0.083 4.839 4.740 0.027 0.000 0.250 370 N C 0.037 175.564 175.510 0.028 0.000 1.272 370 N CA -0.289 52.777 53.050 0.026 0.000 0.928 370 N CB 0.608 39.100 38.487 0.008 0.000 1.158 370 N HN 0.491 nan 8.380 nan 0.000 0.463 371 D N 0.998 121.420 120.400 0.036 0.000 3.046 371 D HA -0.117 4.539 4.640 0.027 0.000 0.213 371 D C -1.485 174.849 176.300 0.056 0.000 1.074 371 D CA -0.323 53.713 54.000 0.060 0.000 0.785 371 D CB 0.541 41.379 40.800 0.063 0.000 1.160 371 D HN 0.349 nan 8.370 nan 0.000 0.524 372 P HA 0.086 nan 4.420 nan 0.000 0.257 372 P C 0.043 177.371 177.300 0.047 0.000 1.281 372 P CA -0.097 63.059 63.100 0.093 0.000 0.826 372 P CB 0.472 32.234 31.700 0.103 0.000 1.237 373 D N 1.203 121.624 120.400 0.035 0.000 2.312 373 D HA -0.092 4.564 4.640 0.027 0.000 0.211 373 D C 1.318 177.638 176.300 0.033 0.000 0.964 373 D CA 0.846 54.861 54.000 0.024 0.000 0.877 373 D CB -0.366 40.446 40.800 0.020 0.000 0.924 373 D HN 0.353 nan 8.370 nan 0.000 0.515 374 N N -0.058 118.673 118.700 0.051 0.000 2.322 374 N HA -0.024 4.733 4.740 0.027 0.000 0.194 374 N C 0.277 175.834 175.510 0.079 0.000 1.126 374 N CA 0.040 53.141 53.050 0.086 0.000 0.845 374 N CB 0.037 38.592 38.487 0.112 0.000 0.976 374 N HN -0.017 nan 8.380 nan 0.000 0.475 375 R N 0.159 120.678 120.500 0.031 0.000 2.816 375 R HA 0.465 4.822 4.340 0.027 0.000 0.382 375 R C -0.178 176.164 176.300 0.070 0.000 1.140 375 R CA -0.303 55.811 56.100 0.023 0.000 1.050 375 R CB 0.816 31.082 30.300 -0.056 0.000 1.396 375 R HN 0.169 nan 8.270 nan 0.000 0.583 376 A N 1.017 123.862 122.820 0.042 0.000 2.327 376 A HA 0.249 4.585 4.320 0.027 0.000 0.255 376 A C 0.074 177.717 177.584 0.099 0.000 1.099 376 A CA -0.399 51.656 52.037 0.031 0.000 0.801 376 A CB 0.299 19.299 19.000 0.001 0.000 1.062 376 A HN 0.468 nan 8.150 nan 0.000 0.496 377 R N 0.446 120.976 120.500 0.049 0.000 2.537 377 R HA 0.276 4.632 4.340 0.027 0.000 0.280 377 R C 0.037 176.375 176.300 0.063 0.000 1.058 377 R CA -0.279 55.862 56.100 0.069 0.000 1.057 377 R CB 0.004 30.305 30.300 0.001 0.000 0.973 377 R HN 0.735 nan 8.270 nan 0.000 0.438 378 L N 5.699 126.991 121.223 0.114 0.000 2.453 378 L HA 0.321 4.677 4.340 0.027 0.000 0.272 378 L C -1.770 174.963 176.870 -0.228 0.000 1.182 378 L CA -1.126 53.699 54.840 -0.025 0.000 0.858 378 L CB 1.075 43.173 42.059 0.065 0.000 1.120 378 L HN 0.637 nan 8.230 nan 0.000 0.474 379 P HA 0.075 nan 4.420 nan 0.000 0.249 379 P C 0.014 177.181 177.300 -0.222 0.000 1.229 379 P CA 0.184 63.186 63.100 -0.163 0.000 0.788 379 P CB 0.548 32.203 31.700 -0.075 0.000 1.072 380 S N -1.025 114.449 115.700 -0.377 0.000 2.565 380 S HA 0.512 4.998 4.470 0.027 0.000 0.274 380 S C -1.597 172.688 174.600 -0.525 0.000 1.144 380 S CA -0.501 57.517 58.200 -0.304 0.000 0.849 380 S CB 0.144 63.286 63.200 -0.097 0.000 1.103 380 S HN -0.181 nan 8.310 nan 0.000 0.455 381 F N 2.236 122.093 119.950 -0.156 0.000 2.850 381 F HA 0.397 4.949 4.527 0.042 0.000 0.329 381 F C 0.987 176.796 175.800 0.015 0.000 1.182 381 F CA -0.360 57.460 58.000 -0.300 0.000 1.270 381 F CB 0.857 39.542 39.000 -0.524 0.000 0.979 381 F HN 0.490 nan 8.300 nan 0.000 0.506 382 S N 0.427 116.230 115.700 0.172 0.000 2.549 382 S HA 0.116 4.602 4.470 0.027 0.000 0.283 382 S C 1.296 175.893 174.600 -0.005 0.000 1.320 382 S CA 0.244 58.498 58.200 0.090 0.000 1.058 382 S CB 0.560 63.793 63.200 0.055 0.000 0.882 382 S HN 0.449 nan 8.310 nan 0.000 0.498 383 T N 0.393 114.795 114.554 -0.253 0.000 3.145 383 T HA 0.146 4.512 4.350 0.027 0.000 0.255 383 T C 0.954 175.274 174.700 -0.632 0.000 1.039 383 T CA 0.271 61.806 62.100 -0.943 0.000 0.928 383 T CB -0.447 67.946 68.868 -0.792 0.000 1.029 383 T HN 0.708 nan 8.240 nan 0.000 0.554 384 T N -0.346 114.071 114.554 -0.227 0.000 3.228 384 T HA 0.252 4.618 4.350 0.027 0.000 0.278 384 T C 0.695 175.414 174.700 0.031 0.000 1.014 384 T CA -0.255 61.799 62.100 -0.076 0.000 0.904 384 T CB -0.385 68.459 68.868 -0.040 0.000 1.110 384 T HN 0.486 nan 8.240 nan 0.000 0.541 385 T N -0.877 113.732 114.554 0.091 0.000 2.899 385 T HA 0.250 4.616 4.350 0.027 0.000 0.295 385 T C 1.440 176.261 174.700 0.202 0.000 1.033 385 T CA -0.197 62.022 62.100 0.200 0.000 1.084 385 T CB 1.102 70.141 68.868 0.284 0.000 0.979 385 T HN 0.065 nan 8.240 nan 0.000 0.532 386 T N 1.974 116.660 114.554 0.221 0.000 2.720 386 T HA -0.080 4.287 4.350 0.027 0.000 0.268 386 T C 2.395 177.186 174.700 0.151 0.000 1.037 386 T CA 1.445 63.648 62.100 0.171 0.000 1.144 386 T CB -0.799 68.166 68.868 0.162 0.000 0.864 386 T HN 0.831 nan 8.240 nan 0.000 0.444 387 A N 0.470 123.383 122.820 0.154 0.000 1.902 387 A HA -0.122 4.214 4.320 0.027 0.000 0.217 387 A C 2.076 179.662 177.584 0.003 0.000 1.181 387 A CA 1.605 53.621 52.037 -0.035 0.000 0.623 387 A CB -1.099 17.658 19.000 -0.406 0.000 0.818 387 A HN 0.622 nan 8.150 nan 0.000 0.443 388 Y N 0.489 120.755 120.300 -0.056 0.000 2.128 388 Y HA -0.284 4.278 4.550 0.021 0.000 0.284 388 Y C 2.629 178.500 175.900 -0.048 0.000 1.154 388 Y CA 2.370 60.438 58.100 -0.052 0.000 1.149 388 Y CB -0.227 38.218 38.460 -0.024 0.000 0.976 388 Y HN 0.433 nan 8.280 nan 0.000 0.505 389 Q N -0.906 119.038 119.800 0.240 0.000 2.124 389 Q HA -0.180 4.176 4.340 0.027 0.000 0.202 389 Q C 2.316 178.331 176.000 0.026 0.000 0.977 389 Q CA 1.786 57.670 55.803 0.136 0.000 0.850 389 Q CB -0.270 28.537 28.738 0.114 0.000 0.901 389 Q HN 0.390 nan 8.270 nan 0.000 0.429 390 V N 1.177 121.093 119.914 0.004 0.000 2.295 390 V HA -0.278 3.859 4.120 0.027 0.000 0.246 390 V C 2.149 178.197 176.094 -0.076 0.000 1.049 390 V CA 1.708 63.986 62.300 -0.036 0.000 1.024 390 V CB -0.457 31.345 31.823 -0.035 0.000 0.648 390 V HN 0.346 nan 8.190 nan 0.000 0.447 391 I N -0.300 120.201 120.570 -0.114 0.000 2.208 391 I HA -0.332 3.854 4.170 0.027 0.000 0.245 391 I C 2.643 178.658 176.117 -0.169 0.000 1.097 391 I CA 1.982 63.189 61.300 -0.154 0.000 1.363 391 I CB -0.448 37.422 38.000 -0.218 0.000 1.051 391 I HN 0.390 nan 8.210 nan 0.000 0.413 392 Q N 1.067 120.753 119.800 -0.190 0.000 2.170 392 Q HA -0.200 4.156 4.340 0.027 0.000 0.203 392 Q C 1.995 177.945 176.000 -0.083 0.000 0.976 392 Q CA 1.255 56.970 55.803 -0.147 0.000 0.858 392 Q CB 0.209 28.895 28.738 -0.086 0.000 0.907 392 Q HN 0.387 nan 8.270 nan 0.000 0.433 393 K N -0.064 120.298 120.400 -0.063 0.000 2.186 393 K HA 0.003 4.340 4.320 0.027 0.000 0.202 393 K C 1.976 178.535 176.600 -0.068 0.000 1.052 393 K CA 0.623 56.878 56.287 -0.053 0.000 0.965 393 K CB 0.171 32.645 32.500 -0.043 0.000 0.746 393 K HN 0.309 nan 8.250 nan 0.000 0.457 394 L N 0.137 121.312 121.223 -0.080 0.000 2.357 394 L HA 0.140 4.496 4.340 0.027 0.000 0.211 394 L C 2.463 179.278 176.870 -0.092 0.000 1.075 394 L CA 0.382 55.171 54.840 -0.085 0.000 0.830 394 L CB -0.432 41.576 42.059 -0.086 0.000 0.996 394 L HN -0.014 nan 8.230 nan 0.000 0.467 395 A N 1.299 124.059 122.820 -0.099 0.000 1.908 395 A HA -0.116 4.220 4.320 0.027 0.000 0.218 395 A C -0.194 177.328 177.584 -0.104 0.000 1.181 395 A CA 1.641 53.617 52.037 -0.103 0.000 0.627 395 A CB -1.720 17.215 19.000 -0.109 0.000 0.818 395 A HN 0.259 nan 8.150 nan 0.000 0.445 396 P HA -0.081 nan 4.420 nan 0.000 0.222 396 P C 1.164 178.406 177.300 -0.097 0.000 1.147 396 P CA 0.629 63.674 63.100 -0.092 0.000 0.790 396 P CB -0.126 31.529 31.700 -0.075 0.000 0.780 397 L N -1.021 120.145 121.223 -0.096 0.000 2.275 397 L HA -0.104 4.252 4.340 0.027 0.000 0.215 397 L C 2.395 179.188 176.870 -0.129 0.000 1.119 397 L CA 1.194 55.976 54.840 -0.097 0.000 0.790 397 L CB -0.593 41.415 42.059 -0.085 0.000 0.919 397 L HN -0.026 nan 8.230 nan 0.000 0.443 398 R N -0.122 120.288 120.500 -0.151 0.000 2.189 398 R HA -0.071 4.286 4.340 0.027 0.000 0.218 398 R C 2.022 178.181 176.300 -0.235 0.000 1.074 398 R CA 0.611 56.585 56.100 -0.209 0.000 0.991 398 R CB -0.049 30.128 30.300 -0.205 0.000 0.883 398 R HN 0.277 nan 8.270 nan 0.000 0.457 399 K N 0.181 120.475 120.400 -0.177 0.000 2.166 399 K HA 0.023 4.359 4.320 0.027 0.000 0.201 399 K C 2.136 178.655 176.600 -0.135 0.000 1.052 399 K CA 1.356 57.546 56.287 -0.161 0.000 0.969 399 K CB 0.143 32.566 32.500 -0.128 0.000 0.761 399 K HN 0.148 nan 8.250 nan 0.000 0.459 400 S N -0.002 115.629 115.700 -0.115 0.000 2.439 400 S HA -0.006 4.481 4.470 0.027 0.000 0.224 400 S C 0.836 175.383 174.600 -0.088 0.000 1.029 400 S CA -0.048 58.098 58.200 -0.090 0.000 0.946 400 S CB -0.207 62.949 63.200 -0.073 0.000 0.797 400 S HN 0.223 nan 8.310 nan 0.000 0.504 401 N N 2.624 121.263 118.700 -0.102 0.000 2.558 401 N HA 0.355 5.112 4.740 0.027 0.000 0.242 401 N C -2.103 173.335 175.510 -0.121 0.000 0.979 401 N CA -2.169 50.832 53.050 -0.081 0.000 0.931 401 N CB 1.770 40.221 38.487 -0.060 0.000 1.122 401 N HN 0.018 nan 8.380 nan 0.000 0.508 402 P HA -0.110 nan 4.420 nan 0.000 0.226 402 P C 0.859 178.053 177.300 -0.176 0.000 1.153 402 P CA 0.649 63.626 63.100 -0.205 0.000 0.777 402 P CB 0.294 31.968 31.700 -0.045 0.000 0.794 403 A N 0.339 123.177 122.820 0.030 0.000 1.933 403 A HA -0.130 4.207 4.320 0.027 0.000 0.218 403 A C 2.314 179.898 177.584 -0.000 0.000 1.175 403 A CA 1.187 53.291 52.037 0.112 0.000 0.628 403 A CB -1.337 17.751 19.000 0.146 0.000 0.814 403 A HN 0.143 nan 8.150 nan 0.000 0.444 404 I N -0.692 119.831 120.570 -0.078 0.000 2.333 404 I HA -0.176 4.010 4.170 0.027 0.000 0.246 404 I C 2.935 178.915 176.117 -0.227 0.000 1.106 404 I CA 0.920 62.155 61.300 -0.108 0.000 1.411 404 I CB -0.392 37.544 38.000 -0.106 0.000 1.082 404 I HN 0.350 nan 8.210 nan 0.000 0.420 405 A N 0.213 122.790 122.820 -0.405 0.000 1.930 405 A HA -0.175 4.161 4.320 0.027 0.000 0.217 405 A C 1.696 178.839 177.584 -0.736 0.000 1.175 405 A CA 1.639 53.260 52.037 -0.692 0.000 0.627 405 A CB -0.534 17.792 19.000 -1.123 0.000 0.815 405 A HN 0.566 nan 8.150 nan 0.000 0.443 406 Y N -1.689 118.420 120.300 -0.317 0.000 2.540 406 Y HA 0.344 4.911 4.550 0.028 0.000 0.257 406 Y C 1.519 177.378 175.900 -0.068 0.000 1.090 406 Y CA -0.553 57.354 58.100 -0.321 0.000 1.242 406 Y CB 0.142 38.118 38.460 -0.806 0.000 1.325 406 Y HN 0.309 nan 8.280 nan 0.000 0.544 407 G N 0.962 109.848 108.800 0.143 0.000 2.580 407 G HA2 0.337 4.313 3.960 0.027 0.000 0.278 407 G HA3 0.337 4.313 3.960 0.027 0.000 0.278 407 G C 0.114 175.147 174.900 0.221 0.000 1.212 407 G CA -0.264 45.016 45.100 0.299 0.000 0.939 407 G HN 0.188 nan 8.290 nan 0.000 0.513 408 S N -1.076 114.760 115.700 0.227 0.000 2.589 408 S HA 0.448 4.934 4.470 0.027 0.000 0.265 408 S C 0.071 174.780 174.600 0.182 0.000 1.342 408 S CA -0.239 58.065 58.200 0.173 0.000 1.005 408 S CB 1.123 64.409 63.200 0.143 0.000 0.909 408 S HN 0.558 nan 8.310 nan 0.000 0.555 409 T N 1.449 116.104 114.554 0.169 0.000 2.807 409 T HA 0.426 4.792 4.350 0.027 0.000 0.279 409 T C -0.787 174.067 174.700 0.257 0.000 0.993 409 T CA -0.413 61.808 62.100 0.202 0.000 0.970 409 T CB 0.610 69.551 68.868 0.121 0.000 0.950 409 T HN 0.831 nan 8.240 nan 0.000 0.441 410 H N 2.032 121.212 119.070 0.183 0.000 2.924 410 H HA 0.274 4.846 4.556 0.027 0.000 0.333 410 H C -0.673 174.775 175.328 0.200 0.000 0.979 410 H CA -0.620 55.524 56.048 0.161 0.000 1.326 410 H CB 1.067 30.914 29.762 0.142 0.000 1.600 410 H HN 0.519 nan 8.280 nan 0.000 0.520 411 E N 4.564 124.945 120.200 0.301 0.000 2.344 411 E HA 0.043 4.410 4.350 0.027 0.000 0.270 411 E C -0.042 176.608 176.600 0.083 0.000 1.021 411 E CA -0.196 56.324 56.400 0.201 0.000 0.887 411 E CB 0.726 30.519 29.700 0.155 0.000 0.997 411 E HN 0.747 nan 8.360 nan 0.000 0.429 412 R N 3.271 123.809 120.500 0.062 0.000 2.369 412 R HA 0.131 4.487 4.340 0.027 0.000 0.210 412 R C -0.235 176.180 176.300 0.192 0.000 0.881 412 R CA 0.083 56.196 56.100 0.021 0.000 1.031 412 R CB 0.580 30.863 30.300 -0.027 0.000 1.184 412 R HN 0.567 nan 8.270 nan 0.000 0.581 413 W N 0.365 121.680 121.300 0.024 0.000 3.372 413 W HA 0.627 5.303 4.660 0.026 0.000 0.315 413 W C -1.593 174.925 176.519 -0.001 0.000 1.223 413 W CA -0.589 56.766 57.345 0.016 0.000 1.202 413 W CB 1.312 30.784 29.460 0.020 0.000 1.367 413 W HN -0.165 nan 8.180 nan 0.000 0.531 414 I N 5.782 126.124 120.570 -0.380 0.000 2.908 414 I HA 0.454 4.640 4.170 0.027 0.000 0.300 414 I C -1.518 174.253 176.117 -0.576 0.000 1.385 414 I CA -0.553 60.561 61.300 -0.309 0.000 1.004 414 I CB 1.757 39.548 38.000 -0.347 0.000 1.309 414 I HN 0.665 nan 8.210 nan 0.000 0.449 415 N N 3.051 121.555 118.700 -0.327 0.000 3.364 415 N HA 0.334 5.090 4.740 0.027 0.000 0.294 415 N C -0.562 174.879 175.510 -0.115 0.000 1.562 415 N CA -0.618 52.333 53.050 -0.165 0.000 0.862 415 N CB 0.121 38.574 38.487 -0.058 0.000 1.691 415 N HN 0.434 nan 8.380 nan 0.000 0.572 416 N N -0.471 118.263 118.700 0.057 0.000 2.223 416 N HA -0.054 4.702 4.740 0.027 0.000 0.185 416 N C -0.207 175.290 175.510 -0.022 0.000 1.016 416 N CA 1.398 54.480 53.050 0.053 0.000 0.863 416 N CB -0.159 38.379 38.487 0.084 0.000 0.983 416 N HN 0.522 nan 8.380 nan 0.000 0.429 417 D N -0.949 119.455 120.400 0.008 0.000 2.449 417 D HA 0.154 4.811 4.640 0.027 0.000 0.210 417 D C -0.364 175.960 176.300 0.040 0.000 1.094 417 D CA 0.172 54.177 54.000 0.008 0.000 0.846 417 D CB 1.259 42.081 40.800 0.038 0.000 1.003 417 D HN -0.095 nan 8.370 nan 0.000 0.504 418 V N 1.938 121.906 119.914 0.089 0.000 2.495 418 V HA 0.456 4.592 4.120 0.027 0.000 0.298 418 V C -0.270 175.922 176.094 0.164 0.000 1.031 418 V CA -0.833 61.569 62.300 0.171 0.000 0.871 418 V CB 2.821 34.829 31.823 0.309 0.000 0.988 418 V HN -0.066 nan 8.190 nan 0.000 0.432 419 I N 5.276 125.955 120.570 0.180 0.000 2.608 419 I HA 0.621 4.807 4.170 0.027 0.000 0.295 419 I C -1.356 174.933 176.117 0.287 0.000 1.049 419 I CA -0.767 60.663 61.300 0.217 0.000 1.063 419 I CB 1.929 40.037 38.000 0.180 0.000 1.248 419 I HN 0.552 nan 8.210 nan 0.000 0.424 420 I N 8.035 128.793 120.570 0.313 0.000 2.468 420 I HA 0.325 4.512 4.170 0.027 0.000 0.285 420 I C -1.303 174.971 176.117 0.262 0.000 1.039 420 I CA -0.619 60.822 61.300 0.235 0.000 1.074 420 I CB 1.468 39.632 38.000 0.273 0.000 1.228 420 I HN 0.470 nan 8.210 nan 0.000 0.436 421 Y N 3.205 123.608 120.300 0.171 0.000 2.598 421 Y HA 0.780 5.345 4.550 0.026 0.000 0.340 421 Y C -0.671 175.303 175.900 0.123 0.000 1.038 421 Y CA -1.275 56.910 58.100 0.142 0.000 1.100 421 Y CB 1.177 39.746 38.460 0.181 0.000 1.281 421 Y HN 0.490 nan 8.280 nan 0.000 0.488 422 E N 1.868 122.240 120.200 0.287 0.000 2.248 422 E HA 0.476 4.842 4.350 0.027 0.000 0.267 422 E C -1.239 175.532 176.600 0.286 0.000 0.877 422 E CA -1.143 55.374 56.400 0.194 0.000 0.759 422 E CB 1.225 30.982 29.700 0.094 0.000 1.182 422 E HN 0.647 nan 8.360 nan 0.000 0.418 423 R N 3.239 123.879 120.500 0.233 0.000 2.460 423 R HA 0.472 4.828 4.340 0.027 0.000 0.303 423 R C -0.671 175.748 176.300 0.199 0.000 0.968 423 R CA -0.646 55.587 56.100 0.222 0.000 0.889 423 R CB 1.553 31.960 30.300 0.178 0.000 1.123 423 R HN 0.535 nan 8.270 nan 0.000 0.455 424 K N 2.021 122.554 120.400 0.220 0.000 2.501 424 K HA 0.459 4.795 4.320 0.027 0.000 0.252 424 K C -1.871 174.903 176.600 0.289 0.000 0.934 424 K CA -0.595 55.825 56.287 0.221 0.000 0.797 424 K CB 1.539 34.155 32.500 0.192 0.000 1.270 424 K HN 0.418 nan 8.250 nan 0.000 0.431 425 F N 3.960 123.966 119.950 0.094 0.000 2.915 425 F HA 0.396 4.939 4.527 0.028 0.000 0.350 425 F C 0.246 176.086 175.800 0.066 0.000 1.248 425 F CA 0.748 58.800 58.000 0.087 0.000 1.084 425 F CB 1.210 40.279 39.000 0.115 0.000 1.391 425 F HN 0.851 nan 8.300 nan 0.000 0.548 426 G N 5.311 113.966 108.800 -0.240 0.000 2.565 426 G HA2 -0.403 3.573 3.960 0.027 0.000 0.295 426 G HA3 -0.403 3.573 3.960 0.027 0.000 0.295 426 G C 0.366 175.268 174.900 0.004 0.000 1.165 426 G CA 0.657 45.659 45.100 -0.163 0.000 0.977 426 G HN 0.705 nan 8.290 nan 0.000 0.546 427 N N 1.855 120.592 118.700 0.062 0.000 2.275 427 N HA 0.230 4.986 4.740 0.027 0.000 0.236 427 N C -0.222 175.414 175.510 0.211 0.000 1.154 427 N CA -0.213 52.920 53.050 0.140 0.000 0.866 427 N CB 0.254 38.837 38.487 0.160 0.000 1.093 427 N HN 0.392 nan 8.380 nan 0.000 0.515 428 N N 0.675 119.478 118.700 0.172 0.000 2.499 428 N HA 0.305 5.061 4.740 0.027 0.000 0.281 428 N C -0.908 174.716 175.510 0.190 0.000 1.098 428 N CA 0.053 53.200 53.050 0.162 0.000 0.979 428 N CB 2.289 40.870 38.487 0.157 0.000 1.121 428 N HN -0.187 nan 8.380 nan 0.000 0.466 429 V N 0.407 120.432 119.914 0.186 0.000 2.925 429 V HA 0.772 4.909 4.120 0.027 0.000 0.311 429 V C -0.671 175.491 176.094 0.113 0.000 1.104 429 V CA -0.878 61.516 62.300 0.156 0.000 0.954 429 V CB 1.895 33.809 31.823 0.151 0.000 1.022 429 V HN 0.812 nan 8.190 nan 0.000 0.427 430 A N 3.005 125.878 122.820 0.088 0.000 2.449 430 A HA 0.932 5.269 4.320 0.027 0.000 0.302 430 A C -1.501 176.105 177.584 0.036 0.000 1.048 430 A CA -0.573 51.494 52.037 0.049 0.000 0.708 430 A CB 2.097 21.114 19.000 0.028 0.000 1.274 430 A HN 0.754 nan 8.150 nan 0.000 0.410 431 V N 2.117 122.043 119.914 0.019 0.000 2.588 431 V HA 0.592 4.729 4.120 0.027 0.000 0.304 431 V C -0.656 175.361 176.094 -0.127 0.000 1.042 431 V CA -0.515 61.798 62.300 0.021 0.000 0.877 431 V CB 1.759 33.688 31.823 0.176 0.000 0.996 431 V HN 0.747 nan 8.190 nan 0.000 0.425 432 V N 3.307 122.992 119.914 -0.383 0.000 2.540 432 V HA 0.890 5.026 4.120 0.027 0.000 0.302 432 V C 0.091 175.948 176.094 -0.396 0.000 1.035 432 V CA -0.551 61.425 62.300 -0.540 0.000 0.873 432 V CB 1.873 33.207 31.823 -0.814 0.000 0.992 432 V HN 1.008 nan 8.190 nan 0.000 0.428 433 A N 5.851 128.503 122.820 -0.279 0.000 2.343 433 A HA 0.942 5.278 4.320 0.027 0.000 0.316 433 A C -0.952 176.632 177.584 -0.000 0.000 1.104 433 A CA -0.482 51.539 52.037 -0.027 0.000 0.768 433 A CB 0.907 19.999 19.000 0.153 0.000 1.213 433 A HN 0.768 nan 8.150 nan 0.000 0.456 434 I N 2.302 122.937 120.570 0.108 0.000 2.478 434 I HA 0.268 4.455 4.170 0.027 0.000 0.287 434 I C -0.722 175.491 176.117 0.159 0.000 1.042 434 I CA -0.680 60.707 61.300 0.145 0.000 1.067 434 I CB 2.308 40.462 38.000 0.257 0.000 1.233 434 I HN 0.652 nan 8.210 nan 0.000 0.431 435 N N 5.613 124.392 118.700 0.133 0.000 2.558 435 N HA 0.236 4.992 4.740 0.027 0.000 0.242 435 N C 0.840 176.429 175.510 0.132 0.000 0.979 435 N CA -0.744 52.376 53.050 0.118 0.000 0.931 435 N CB 0.845 39.386 38.487 0.089 0.000 1.122 435 N HN 0.603 nan 8.380 nan 0.000 0.508 436 R N 2.042 122.627 120.500 0.140 0.000 2.316 436 R HA 0.049 4.405 4.340 0.027 0.000 0.202 436 R C 0.019 176.380 176.300 0.101 0.000 1.029 436 R CA 0.136 56.328 56.100 0.154 0.000 1.018 436 R CB -0.126 30.239 30.300 0.108 0.000 0.888 436 R HN 0.282 nan 8.270 nan 0.000 0.471 437 N N 1.333 120.078 118.700 0.076 0.000 2.430 437 N HA 0.016 4.773 4.740 0.027 0.000 0.265 437 N C 0.255 175.803 175.510 0.064 0.000 1.100 437 N CA -0.084 53.002 53.050 0.060 0.000 0.961 437 N CB 0.969 39.487 38.487 0.051 0.000 1.075 437 N HN 0.136 nan 8.380 nan 0.000 0.478 438 M N 2.946 122.582 119.600 0.061 0.000 2.563 438 M HA 0.059 4.555 4.480 0.027 0.000 0.231 438 M C 0.110 176.438 176.300 0.046 0.000 1.136 438 M CA 0.523 55.858 55.300 0.058 0.000 1.026 438 M CB -0.999 31.637 32.600 0.062 0.000 1.597 438 M HN 0.544 nan 8.290 nan 0.000 0.495 439 N N -1.071 117.654 118.700 0.041 0.000 2.218 439 N HA 0.049 4.805 4.740 0.027 0.000 0.224 439 N C -0.410 175.120 175.510 0.033 0.000 1.248 439 N CA 0.091 53.161 53.050 0.034 0.000 0.875 439 N CB 0.963 39.467 38.487 0.029 0.000 1.165 439 N HN 0.017 nan 8.380 nan 0.000 0.485 440 T N 2.712 117.288 114.554 0.036 0.000 2.770 440 T HA 0.409 4.775 4.350 0.027 0.000 0.283 440 T C -2.715 172.006 174.700 0.036 0.000 0.988 440 T CA -1.390 60.731 62.100 0.034 0.000 0.957 440 T CB 2.178 71.067 68.868 0.036 0.000 0.930 440 T HN -0.143 nan 8.240 nan 0.000 0.443 441 P HA 0.454 nan 4.420 nan 0.000 0.272 441 P C -1.270 176.036 177.300 0.010 0.000 1.240 441 P CA -0.562 62.551 63.100 0.023 0.000 0.791 441 P CB 0.507 32.219 31.700 0.020 0.000 0.978 442 A N 1.108 123.916 122.820 -0.020 0.000 2.330 442 A HA 0.515 4.851 4.320 0.027 0.000 0.313 442 A C -0.336 177.147 177.584 -0.169 0.000 1.124 442 A CA -0.406 51.598 52.037 -0.054 0.000 0.774 442 A CB 0.593 19.565 19.000 -0.047 0.000 1.198 442 A HN 0.352 nan 8.150 nan 0.000 0.465 443 S N 2.791 118.406 115.700 -0.142 0.000 2.422 443 S HA 0.322 4.809 4.470 0.027 0.000 0.283 443 S C 0.047 174.409 174.600 -0.396 0.000 1.163 443 S CA -0.241 57.827 58.200 -0.219 0.000 1.054 443 S CB -0.191 62.953 63.200 -0.094 0.000 0.967 443 S HN 0.479 nan 8.310 nan 0.000 0.499 444 I N 4.838 124.961 120.570 -0.745 0.000 2.297 444 I HA 0.258 4.445 4.170 0.027 0.000 0.291 444 I C 0.780 176.509 176.117 -0.646 0.000 1.033 444 I CA -0.398 60.242 61.300 -1.100 0.000 1.253 444 I CB -0.054 36.915 38.000 -1.718 0.000 1.396 444 I HN 0.518 nan 8.210 nan 0.000 0.476 445 T N 0.683 115.060 114.554 -0.295 0.000 2.841 445 T HA 0.696 5.062 4.350 0.027 0.000 0.283 445 T C 0.711 175.466 174.700 0.093 0.000 1.000 445 T CA -0.140 61.917 62.100 -0.071 0.000 0.977 445 T CB 2.097 70.974 68.868 0.014 0.000 0.979 445 T HN 0.981 nan 8.240 nan 0.000 0.446 446 G N 0.943 109.795 108.800 0.087 0.000 2.175 446 G HA2 -0.180 3.797 3.960 0.027 0.000 0.244 446 G HA3 -0.180 3.797 3.960 0.027 0.000 0.244 446 G C -0.143 174.880 174.900 0.204 0.000 0.982 446 G CA -0.131 45.072 45.100 0.171 0.000 0.641 446 G HN 1.067 nan 8.290 nan 0.000 0.527 447 L N 1.765 123.052 121.223 0.108 0.000 2.410 447 L HA 0.639 4.995 4.340 0.027 0.000 0.273 447 L C 0.218 177.142 176.870 0.090 0.000 1.144 447 L CA -0.359 54.556 54.840 0.126 0.000 0.863 447 L CB 1.270 43.345 42.059 0.027 0.000 1.140 447 L HN 0.118 nan 8.230 nan 0.000 0.463 448 V N 4.919 124.889 119.914 0.092 0.000 2.555 448 V HA 0.749 4.885 4.120 0.027 0.000 0.302 448 V C 0.254 176.361 176.094 0.021 0.000 1.038 448 V CA -0.022 62.307 62.300 0.048 0.000 0.887 448 V CB 1.901 33.759 31.823 0.058 0.000 0.991 448 V HN 1.001 nan 8.190 nan 0.000 0.434 449 T N 0.308 114.859 114.554 -0.005 0.000 2.831 449 T HA 0.382 4.748 4.350 0.027 0.000 0.287 449 T C 0.411 175.105 174.700 -0.011 0.000 1.070 449 T CA -0.400 61.687 62.100 -0.022 0.000 1.010 449 T CB 1.903 70.734 68.868 -0.062 0.000 1.264 449 T HN 0.312 nan 8.240 nan 0.000 0.532 450 S N -0.001 115.700 115.700 0.001 0.000 2.577 450 S HA 0.314 4.800 4.470 0.027 0.000 0.219 450 S C 0.571 175.145 174.600 -0.042 0.000 0.962 450 S CA -0.472 57.736 58.200 0.013 0.000 0.921 450 S CB -0.682 62.557 63.200 0.065 0.000 0.789 450 S HN 0.458 nan 8.310 nan 0.000 0.497 451 L N 2.726 123.884 121.223 -0.108 0.000 2.426 451 L HA 0.250 4.606 4.340 0.027 0.000 0.271 451 L C -2.246 174.536 176.870 -0.147 0.000 1.169 451 L CA -2.021 52.700 54.840 -0.198 0.000 0.836 451 L CB -0.000 41.797 42.059 -0.436 0.000 1.112 451 L HN -0.049 nan 8.230 nan 0.000 0.465 452 P HA -0.015 nan 4.420 nan 0.000 0.269 452 P C -0.731 176.568 177.300 -0.003 0.000 1.217 452 P CA -0.377 62.620 63.100 -0.171 0.000 0.783 452 P CB 0.384 31.843 31.700 -0.401 0.000 0.898 453 R N 1.288 121.770 120.500 -0.029 0.000 2.502 453 R HA 0.431 4.787 4.340 0.027 0.000 0.292 453 R C 0.314 176.596 176.300 -0.031 0.000 0.998 453 R CA 1.002 57.096 56.100 -0.010 0.000 1.056 453 R CB -0.690 29.592 30.300 -0.030 0.000 0.939 453 R HN 0.775 nan 8.270 nan 0.000 0.411 454 G N 1.362 110.135 108.800 -0.044 0.000 2.343 454 G HA2 0.147 4.123 3.960 0.027 0.000 0.289 454 G HA3 0.147 4.123 3.960 0.027 0.000 0.289 454 G C -1.605 173.129 174.900 -0.275 0.000 1.295 454 G CA -0.782 44.198 45.100 -0.199 0.000 0.869 454 G HN 0.564 nan 8.290 nan 0.000 0.522 455 S N -0.748 114.713 115.700 -0.398 0.000 2.501 455 S HA 0.783 5.270 4.470 0.027 0.000 0.301 455 S C -1.504 172.773 174.600 -0.539 0.000 1.096 455 S CA -0.294 57.712 58.200 -0.324 0.000 1.063 455 S CB 1.200 64.288 63.200 -0.186 0.000 1.042 455 S HN 0.451 nan 8.310 nan 0.000 0.494 456 Y N 1.312 121.537 120.300 -0.125 0.000 2.361 456 Y HA 0.354 4.920 4.550 0.027 0.000 0.337 456 Y C 0.628 176.574 175.900 0.076 0.000 0.965 456 Y CA -0.921 57.169 58.100 -0.017 0.000 1.091 456 Y CB 1.172 39.610 38.460 -0.037 0.000 1.182 456 Y HN 0.573 nan 8.280 nan 0.000 0.450 457 N N 1.950 120.791 118.700 0.236 0.000 2.530 457 N HA -0.025 4.731 4.740 0.027 0.000 0.273 457 N C -0.902 174.814 175.510 0.343 0.000 1.173 457 N CA -0.256 52.922 53.050 0.214 0.000 0.967 457 N CB 0.864 39.421 38.487 0.117 0.000 1.109 457 N HN 0.697 nan 8.380 nan 0.000 0.453 458 D N 1.435 121.994 120.400 0.266 0.000 2.434 458 D HA -0.028 4.629 4.640 0.027 0.000 0.252 458 D C 1.091 177.384 176.300 -0.012 0.000 1.185 458 D CA -0.137 53.883 54.000 0.033 0.000 0.886 458 D CB 0.843 41.636 40.800 -0.012 0.000 1.148 458 D HN 0.141 nan 8.370 nan 0.000 0.483 459 V N 4.482 124.359 119.914 -0.062 0.000 2.568 459 V HA -0.225 3.911 4.120 0.027 0.000 0.253 459 V C 2.191 178.251 176.094 -0.056 0.000 1.072 459 V CA 1.308 63.583 62.300 -0.041 0.000 1.084 459 V CB -0.508 31.280 31.823 -0.059 0.000 0.676 459 V HN 0.656 nan 8.190 nan 0.000 0.469 460 L N 0.507 121.675 121.223 -0.091 0.000 2.610 460 L HA 0.188 4.545 4.340 0.027 0.000 0.232 460 L C 1.778 178.627 176.870 -0.035 0.000 1.149 460 L CA 0.726 55.525 54.840 -0.067 0.000 0.872 460 L CB -0.843 41.160 42.059 -0.092 0.000 0.992 460 L HN 0.541 nan 8.230 nan 0.000 0.447 461 G N 0.231 109.019 108.800 -0.019 0.000 2.258 461 G HA2 -0.282 3.694 3.960 0.027 0.000 0.274 461 G HA3 -0.282 3.694 3.960 0.027 0.000 0.274 461 G C 1.021 175.925 174.900 0.006 0.000 1.021 461 G CA 0.439 45.541 45.100 0.003 0.000 0.798 461 G HN 0.690 nan 8.290 nan 0.000 0.507 462 G N -0.881 107.918 108.800 -0.001 0.000 2.179 462 G HA2 -0.299 3.677 3.960 0.027 0.000 0.260 462 G HA3 -0.299 3.677 3.960 0.027 0.000 0.260 462 G C 1.319 176.223 174.900 0.006 0.000 0.977 462 G CA 1.071 46.176 45.100 0.008 0.000 0.641 462 G HN 1.901 nan 8.290 nan 0.000 0.533 463 I N -1.909 118.661 120.570 0.001 0.000 2.614 463 I HA 0.236 4.422 4.170 0.027 0.000 0.258 463 I C 1.521 177.645 176.117 0.012 0.000 1.189 463 I CA 1.113 62.420 61.300 0.011 0.000 1.462 463 I CB -0.177 37.833 38.000 0.016 0.000 1.092 463 I HN 0.178 nan 8.210 nan 0.000 0.442 464 L N 2.626 123.848 121.223 -0.001 0.000 3.096 464 L HA 0.350 4.706 4.340 0.027 0.000 0.247 464 L C -0.096 176.779 176.870 0.008 0.000 1.321 464 L CA -0.294 54.548 54.840 0.005 0.000 1.044 464 L CB -0.645 41.408 42.059 -0.010 0.000 1.434 464 L HN 0.281 nan 8.230 nan 0.000 0.533 465 N N 0.751 119.461 118.700 0.017 0.000 2.721 465 N HA -0.151 4.605 4.740 0.027 0.000 0.249 465 N C 0.617 176.149 175.510 0.037 0.000 1.072 465 N CA 0.874 53.942 53.050 0.031 0.000 0.710 465 N CB -0.718 37.793 38.487 0.040 0.000 0.993 465 N HN 0.657 nan 8.380 nan 0.000 0.547 466 G N 0.202 109.011 108.800 0.014 0.000 2.588 466 G HA2 0.490 4.466 3.960 0.027 0.000 0.281 466 G HA3 0.490 4.466 3.960 0.027 0.000 0.281 466 G C 0.345 175.291 174.900 0.076 0.000 1.236 466 G CA 0.033 45.141 45.100 0.013 0.000 0.969 466 G HN 0.548 nan 8.290 nan 0.000 0.504 467 N N -2.665 116.130 118.700 0.158 0.000 2.853 467 N HA 0.428 5.184 4.740 0.027 0.000 0.258 467 N C -0.958 174.715 175.510 0.273 0.000 1.444 467 N CA -0.790 52.359 53.050 0.164 0.000 0.837 467 N CB 1.131 39.693 38.487 0.125 0.000 1.489 467 N HN 0.336 nan 8.380 nan 0.000 0.529 468 T N 0.864 115.483 114.554 0.108 0.000 2.851 468 T HA 0.288 4.654 4.350 0.027 0.000 0.298 468 T C -0.478 174.069 174.700 -0.255 0.000 0.977 468 T CA -0.137 61.983 62.100 0.032 0.000 1.126 468 T CB 0.122 68.983 68.868 -0.012 0.000 0.916 468 T HN 0.423 nan 8.240 nan 0.000 0.529 469 L N 3.901 124.796 121.223 -0.547 0.000 2.295 469 L HA 0.482 4.839 4.340 0.027 0.000 0.285 469 L C -0.023 176.604 176.870 -0.405 0.000 1.035 469 L CA 0.071 54.364 54.840 -0.911 0.000 0.806 469 L CB 1.451 42.456 42.059 -1.756 0.000 1.214 469 L HN 0.585 nan 8.230 nan 0.000 0.426 470 T N 4.508 118.877 114.554 -0.308 0.000 2.770 470 T HA 0.589 4.955 4.350 0.027 0.000 0.283 470 T C -0.657 173.975 174.700 -0.113 0.000 0.988 470 T CA -0.360 61.651 62.100 -0.149 0.000 0.957 470 T CB 1.247 70.046 68.868 -0.115 0.000 0.930 470 T HN 0.326 nan 8.240 nan 0.000 0.443 471 V N 2.985 122.877 119.914 -0.036 0.000 2.555 471 V HA 0.775 4.911 4.120 0.027 0.000 0.302 471 V C 0.798 176.883 176.094 -0.015 0.000 1.038 471 V CA -0.485 61.802 62.300 -0.022 0.000 0.887 471 V CB 1.868 33.714 31.823 0.038 0.000 0.991 471 V HN 1.007 nan 8.190 nan 0.000 0.434 472 G N 2.281 111.069 108.800 -0.021 0.000 2.736 472 G HA2 0.674 4.651 3.960 0.027 0.000 0.229 472 G HA3 0.674 4.651 3.960 0.027 0.000 0.229 472 G C -0.013 174.878 174.900 -0.015 0.000 1.380 472 G CA -0.196 44.893 45.100 -0.018 0.000 1.040 472 G HN 1.042 nan 8.290 nan 0.000 0.568 473 A N -1.690 121.122 122.820 -0.013 0.000 2.477 473 A HA 0.508 4.845 4.320 0.027 0.000 0.246 473 A C 1.476 179.057 177.584 -0.006 0.000 1.078 473 A CA 1.199 53.230 52.037 -0.010 0.000 0.770 473 A CB -0.413 18.582 19.000 -0.007 0.000 1.011 473 A HN 2.511 nan 8.150 nan 0.000 0.494 474 G N 0.702 109.499 108.800 -0.006 0.000 2.162 474 G HA2 0.143 4.119 3.960 0.027 0.000 0.260 474 G HA3 0.143 4.119 3.960 0.027 0.000 0.260 474 G C 1.638 176.538 174.900 0.000 0.000 0.976 474 G CA 0.981 46.081 45.100 0.001 0.000 0.655 474 G HN 2.811 nan 8.290 nan 0.000 0.533 475 G N -1.331 107.463 108.800 -0.012 0.000 2.162 475 G HA2 0.174 4.150 3.960 0.027 0.000 0.260 475 G HA3 0.174 4.150 3.960 0.027 0.000 0.260 475 G C 0.746 175.636 174.900 -0.017 0.000 0.976 475 G CA 1.210 46.297 45.100 -0.021 0.000 0.655 475 G HN 2.334 nan 8.290 nan 0.000 0.533 476 A N 0.049 122.865 122.820 -0.006 0.000 2.409 476 A HA 0.831 5.168 4.320 0.027 0.000 0.267 476 A C 0.786 178.363 177.584 -0.012 0.000 1.127 476 A CA 0.923 52.962 52.037 0.003 0.000 0.795 476 A CB 0.598 19.605 19.000 0.012 0.000 1.061 476 A HN 2.029 nan 8.150 nan 0.000 0.502 477 A N 2.925 125.738 122.820 -0.011 0.000 2.327 477 A HA 0.607 4.943 4.320 0.027 0.000 0.283 477 A C 0.735 178.329 177.584 0.016 0.000 1.127 477 A CA -0.367 51.653 52.037 -0.029 0.000 0.810 477 A CB 0.131 19.105 19.000 -0.042 0.000 1.066 477 A HN 0.938 nan 8.150 nan 0.000 0.492 478 S N 1.462 117.165 115.700 0.004 0.000 2.568 478 S HA 0.038 4.524 4.470 0.027 0.000 0.282 478 S C 0.420 175.097 174.600 0.129 0.000 1.338 478 S CA -0.253 57.968 58.200 0.036 0.000 1.045 478 S CB -0.016 63.186 63.200 0.004 0.000 0.873 478 S HN 0.754 nan 8.310 nan 0.000 0.516 479 N N 1.702 120.447 118.700 0.075 0.000 2.458 479 N HA 0.358 5.114 4.740 0.027 0.000 0.258 479 N C -0.598 174.991 175.510 0.133 0.000 1.219 479 N CA 0.263 53.330 53.050 0.028 0.000 0.902 479 N CB 0.179 38.653 38.487 -0.023 0.000 1.076 479 N HN 0.573 nan 8.380 nan 0.000 0.455 480 F N -1.867 118.017 119.950 -0.109 0.000 2.662 480 F HA 0.505 5.048 4.527 0.026 0.000 0.312 480 F C -0.790 174.961 175.800 -0.082 0.000 1.113 480 F CA -1.138 56.812 58.000 -0.084 0.000 0.951 480 F CB 1.109 40.057 39.000 -0.087 0.000 1.344 480 F HN 0.031 nan 8.300 nan 0.000 0.462 481 T N 3.017 117.636 114.554 0.108 0.000 2.795 481 T HA 0.508 4.875 4.350 0.027 0.000 0.282 481 T C -1.193 173.598 174.700 0.151 0.000 0.980 481 T CA -0.362 61.740 62.100 0.003 0.000 1.012 481 T CB 1.319 70.207 68.868 0.033 0.000 0.936 481 T HN 0.650 nan 8.240 nan 0.000 0.457 482 L N 4.456 125.704 121.223 0.041 0.000 2.262 482 L HA 0.701 5.057 4.340 0.027 0.000 0.288 482 L C 0.471 177.391 176.870 0.084 0.000 1.035 482 L CA -0.694 54.235 54.840 0.148 0.000 0.820 482 L CB -0.225 41.888 42.059 0.090 0.000 1.204 482 L HN 0.787 nan 8.230 nan 0.000 0.424 483 A N 6.921 129.800 122.820 0.099 0.000 2.583 483 A HA 0.329 4.666 4.320 0.027 0.000 0.231 483 A C -2.214 175.407 177.584 0.061 0.000 1.065 483 A CA -0.592 51.487 52.037 0.070 0.000 0.760 483 A CB -1.000 18.041 19.000 0.069 0.000 1.001 483 A HN 0.708 nan 8.150 nan 0.000 0.509 484 P HA 0.236 nan 4.420 nan 0.000 0.263 484 P C 0.934 178.270 177.300 0.060 0.000 1.195 484 P CA 1.789 64.922 63.100 0.054 0.000 0.762 484 P CB 0.432 32.160 31.700 0.046 0.000 0.799 485 G N 2.280 111.123 108.800 0.072 0.000 2.155 485 G HA2 -0.193 3.783 3.960 0.027 0.000 0.257 485 G HA3 -0.193 3.783 3.960 0.027 0.000 0.257 485 G C 0.610 175.551 174.900 0.068 0.000 0.983 485 G CA -0.138 45.009 45.100 0.078 0.000 0.676 485 G HN 0.885 nan 8.290 nan 0.000 0.528 486 G N -0.473 108.367 108.800 0.067 0.000 2.406 486 G HA2 0.567 4.543 3.960 0.027 0.000 0.251 486 G HA3 0.567 4.543 3.960 0.027 0.000 0.251 486 G C -0.130 174.793 174.900 0.039 0.000 1.271 486 G CA 0.844 45.977 45.100 0.056 0.000 0.859 486 G HN 0.672 nan 8.290 nan 0.000 0.540 487 T N 0.368 114.917 114.554 -0.009 0.000 2.921 487 T HA 0.690 5.057 4.350 0.027 0.000 0.297 487 T C -0.292 174.303 174.700 -0.174 0.000 1.013 487 T CA -0.085 61.974 62.100 -0.068 0.000 0.990 487 T CB 1.824 70.659 68.868 -0.054 0.000 1.023 487 T HN 1.074 nan 8.240 nan 0.000 0.447 488 A N 2.245 124.848 122.820 -0.360 0.000 2.515 488 A HA 0.893 5.229 4.320 0.027 0.000 0.298 488 A C -1.389 175.588 177.584 -1.011 0.000 1.059 488 A CA -0.702 50.927 52.037 -0.681 0.000 0.698 488 A CB 1.675 20.189 19.000 -0.809 0.000 1.289 488 A HN 0.662 nan 8.150 nan 0.000 0.404 489 V N 2.181 121.503 119.914 -0.987 0.000 2.577 489 V HA 0.591 4.727 4.120 0.027 0.000 0.303 489 V C -1.205 174.487 176.094 -0.670 0.000 1.042 489 V CA -0.472 61.415 62.300 -0.687 0.000 0.872 489 V CB 1.548 33.172 31.823 -0.332 0.000 0.998 489 V HN 0.836 nan 8.190 nan 0.000 0.423 490 W N 3.827 125.073 121.300 -0.090 0.000 2.844 490 W HA 0.764 5.443 4.660 0.031 0.000 0.340 490 W C -0.324 176.136 176.519 -0.098 0.000 1.093 490 W CA -0.635 56.661 57.345 -0.081 0.000 1.212 490 W CB 2.147 31.506 29.460 -0.169 0.000 1.422 490 W HN 0.711 nan 8.180 nan 0.000 0.515 491 Q N 1.053 120.963 119.800 0.183 0.000 2.534 491 Q HA 0.686 5.043 4.340 0.027 0.000 0.290 491 Q C -2.274 173.876 176.000 0.251 0.000 0.991 491 Q CA -1.105 54.777 55.803 0.131 0.000 0.783 491 Q CB 3.466 32.256 28.738 0.087 0.000 1.470 491 Q HN 0.377 nan 8.270 nan 0.000 0.406 492 Y N 0.580 120.926 120.300 0.077 0.000 2.441 492 Y HA 0.561 5.127 4.550 0.027 0.000 0.334 492 Y C -1.704 174.248 175.900 0.087 0.000 1.061 492 Y CA -0.122 58.056 58.100 0.129 0.000 1.032 492 Y CB 2.390 40.931 38.460 0.134 0.000 1.266 492 Y HN 0.925 nan 8.280 nan 0.000 0.441 493 T N 1.698 115.880 114.554 -0.620 0.000 2.908 493 T HA 0.796 5.162 4.350 0.027 0.000 0.290 493 T C -0.676 173.617 174.700 -0.679 0.000 1.034 493 T CA -0.849 60.990 62.100 -0.435 0.000 1.010 493 T CB 2.031 70.773 68.868 -0.209 0.000 1.068 493 T HN 0.728 nan 8.240 nan 0.000 0.481 494 T N 0.498 114.860 114.554 -0.320 0.000 2.885 494 T HA 0.382 4.749 4.350 0.027 0.000 0.322 494 T C -1.780 172.887 174.700 -0.056 0.000 1.387 494 T CA -0.665 61.322 62.100 -0.187 0.000 1.041 494 T CB 1.518 70.346 68.868 -0.067 0.000 1.287 494 T HN 0.686 nan 8.240 nan 0.000 0.491 495 D N 2.084 122.467 120.400 -0.029 0.000 2.414 495 D HA 0.466 5.122 4.640 0.027 0.000 0.242 495 D C 0.158 176.459 176.300 0.001 0.000 1.129 495 D CA 0.104 54.097 54.000 -0.012 0.000 0.885 495 D CB 1.111 41.906 40.800 -0.009 0.000 1.198 495 D HN 0.715 nan 8.370 nan 0.000 0.437 496 A N 1.728 124.543 122.820 -0.008 0.000 2.362 496 A HA 0.229 4.565 4.320 0.027 0.000 0.276 496 A C 1.263 178.837 177.584 -0.017 0.000 1.153 496 A CA -0.305 51.718 52.037 -0.024 0.000 0.813 496 A CB 0.656 19.619 19.000 -0.061 0.000 1.081 496 A HN 0.541 nan 8.150 nan 0.000 0.507 497 T N 1.403 115.954 114.554 -0.006 0.000 3.043 497 T HA 0.122 4.488 4.350 0.027 0.000 0.263 497 T C 0.744 175.453 174.700 0.015 0.000 1.094 497 T CA 1.675 63.781 62.100 0.009 0.000 1.127 497 T CB -0.362 68.515 68.868 0.014 0.000 0.905 497 T HN 0.983 nan 8.240 nan 0.000 0.490 498 T N 0.414 114.966 114.554 -0.003 0.000 2.903 498 T HA 0.625 4.991 4.350 0.027 0.000 0.299 498 T C -3.289 171.409 174.700 -0.004 0.000 1.093 498 T CA -2.007 60.102 62.100 0.015 0.000 1.002 498 T CB 1.660 70.533 68.868 0.008 0.000 1.127 498 T HN -0.214 nan 8.240 nan 0.000 0.488 499 P HA 0.477 nan 4.420 nan 0.000 0.267 499 P C -0.956 176.364 177.300 0.032 0.000 1.205 499 P CA -0.184 62.997 63.100 0.134 0.000 0.765 499 P CB 0.132 32.029 31.700 0.328 0.000 0.828 500 I N 3.936 124.458 120.570 -0.080 0.000 2.512 500 I HA 0.337 4.523 4.170 0.027 0.000 0.287 500 I C -0.098 176.059 176.117 0.066 0.000 1.069 500 I CA -0.663 60.556 61.300 -0.134 0.000 1.056 500 I CB 1.796 39.453 38.000 -0.572 0.000 1.229 500 I HN 0.126 nan 8.210 nan 0.000 0.429 501 I N 5.087 125.770 120.570 0.189 0.000 2.352 501 I HA 0.242 4.428 4.170 0.027 0.000 0.290 501 I C 1.254 177.494 176.117 0.204 0.000 1.036 501 I CA 0.289 61.709 61.300 0.199 0.000 1.336 501 I CB 1.316 39.386 38.000 0.116 0.000 1.407 501 I HN 0.851 nan 8.210 nan 0.000 0.497 502 G N 5.130 113.871 108.800 -0.097 0.000 2.709 502 G HA2 0.041 4.017 3.960 0.027 0.000 0.208 502 G HA3 0.041 4.017 3.960 0.027 0.000 0.208 502 G C 0.428 175.153 174.900 -0.292 0.000 1.129 502 G CA 0.244 45.111 45.100 -0.389 0.000 0.793 502 G HN 0.541 nan 8.290 nan 0.000 0.524 503 N N -1.260 117.178 118.700 -0.436 0.000 2.859 503 N HA 0.434 5.190 4.740 0.027 0.000 0.250 503 N C -1.996 173.201 175.510 -0.521 0.000 1.341 503 N CA -0.250 52.595 53.050 -0.342 0.000 0.881 503 N CB 2.131 40.583 38.487 -0.058 0.000 1.516 503 N HN -0.143 nan 8.380 nan 0.000 0.503 504 V N 0.173 119.789 119.914 -0.497 0.000 2.760 504 V HA 0.925 5.061 4.120 0.027 0.000 0.309 504 V C 0.050 176.125 176.094 -0.032 0.000 1.077 504 V CA -0.608 61.497 62.300 -0.325 0.000 0.910 504 V CB 1.795 33.360 31.823 -0.430 0.000 1.008 504 V HN 0.810 nan 8.190 nan 0.000 0.424 505 G N 4.225 113.046 108.800 0.035 0.000 2.753 505 G HA2 0.727 4.704 3.960 0.027 0.000 0.297 505 G HA3 0.727 4.704 3.960 0.027 0.000 0.297 505 G C -3.318 171.657 174.900 0.125 0.000 1.430 505 G CA -1.171 43.999 45.100 0.117 0.000 1.040 505 G HN 0.494 nan 8.290 nan 0.000 0.530 506 P HA 0.211 nan 4.420 nan 0.000 0.274 506 P C 0.256 177.681 177.300 0.208 0.000 1.256 506 P CA -0.369 62.813 63.100 0.138 0.000 0.795 506 P CB 1.350 33.096 31.700 0.077 0.000 1.038 507 M N -0.281 119.355 119.600 0.061 0.000 2.371 507 M HA 0.283 4.779 4.480 0.027 0.000 0.246 507 M C 0.574 176.522 176.300 -0.586 0.000 1.103 507 M CA 0.340 55.596 55.300 -0.074 0.000 1.010 507 M CB -0.561 32.059 32.600 0.033 0.000 1.457 507 M HN 0.453 nan 8.290 nan 0.000 0.486 508 M N 0.857 120.198 119.600 -0.432 0.000 2.234 508 M HA 0.600 5.097 4.480 0.027 0.000 0.267 508 M C -2.098 174.070 176.300 -0.220 0.000 1.022 508 M CA -0.203 54.848 55.300 -0.416 0.000 0.993 508 M CB 1.951 34.404 32.600 -0.245 0.000 1.836 508 M HN 0.029 nan 8.290 nan 0.000 0.479 509 A N 3.727 126.450 122.820 -0.162 0.000 2.566 509 A HA 0.625 4.961 4.320 0.027 0.000 0.290 509 A C -1.810 175.780 177.584 0.011 0.000 1.071 509 A CA -0.991 51.031 52.037 -0.025 0.000 0.658 509 A CB 1.570 20.605 19.000 0.059 0.000 1.285 509 A HN 0.876 nan 8.150 nan 0.000 0.427 510 K N 0.174 120.579 120.400 0.007 0.000 2.107 510 K HA 0.627 4.964 4.320 0.027 0.000 0.251 510 K C -2.672 173.922 176.600 -0.011 0.000 1.012 510 K CA -1.526 54.761 56.287 0.001 0.000 0.920 510 K CB 0.088 32.585 32.500 -0.005 0.000 1.033 510 K HN 0.256 nan 8.250 nan 0.000 0.478 511 P HA -0.081 nan 4.420 nan 0.000 0.261 511 P C 0.483 177.738 177.300 -0.075 0.000 1.173 511 P CA 1.521 64.566 63.100 -0.091 0.000 0.760 511 P CB 0.425 32.070 31.700 -0.092 0.000 0.783 512 G N 0.933 109.674 108.800 -0.098 0.000 2.232 512 G HA2 -0.210 3.766 3.960 0.027 0.000 0.226 512 G HA3 -0.210 3.766 3.960 0.027 0.000 0.226 512 G C 0.111 174.980 174.900 -0.053 0.000 0.996 512 G CA -0.155 44.902 45.100 -0.072 0.000 0.626 512 G HN 0.542 nan 8.290 nan 0.000 0.509 513 V N 2.135 122.028 119.914 -0.035 0.000 2.686 513 V HA 0.492 4.628 4.120 0.027 0.000 0.295 513 V C 1.000 177.086 176.094 -0.012 0.000 1.055 513 V CA 0.521 62.814 62.300 -0.012 0.000 1.050 513 V CB 1.476 33.312 31.823 0.021 0.000 0.984 513 V HN 0.299 nan 8.190 nan 0.000 0.482 514 T N 6.393 120.940 114.554 -0.012 0.000 2.780 514 T HA 0.556 4.922 4.350 0.027 0.000 0.294 514 T C -0.074 174.635 174.700 0.015 0.000 0.949 514 T CA 0.030 62.122 62.100 -0.012 0.000 1.074 514 T CB 0.251 69.103 68.868 -0.027 0.000 0.910 514 T HN 0.593 nan 8.240 nan 0.000 0.501 515 I N -0.094 120.488 120.570 0.020 0.000 2.797 515 I HA 0.730 4.916 4.170 0.027 0.000 0.307 515 I C -0.360 175.737 176.117 -0.032 0.000 1.033 515 I CA -0.860 60.461 61.300 0.034 0.000 1.071 515 I CB 2.195 40.243 38.000 0.080 0.000 1.255 515 I HN 0.295 nan 8.210 nan 0.000 0.445 516 T N 5.213 119.743 114.554 -0.039 0.000 2.772 516 T HA 0.584 4.950 4.350 0.027 0.000 0.288 516 T C -0.250 174.368 174.700 -0.137 0.000 0.994 516 T CA -0.142 61.908 62.100 -0.083 0.000 0.951 516 T CB 0.664 69.506 68.868 -0.043 0.000 0.933 516 T HN 0.365 nan 8.240 nan 0.000 0.447 517 I N 3.736 124.178 120.570 -0.213 0.000 2.330 517 I HA 0.343 4.530 4.170 0.027 0.000 0.289 517 I C -0.376 175.642 176.117 -0.165 0.000 1.001 517 I CA -0.739 60.392 61.300 -0.282 0.000 1.193 517 I CB 1.191 38.923 38.000 -0.446 0.000 1.345 517 I HN 0.451 nan 8.210 nan 0.000 0.461 518 D N 4.838 125.158 120.400 -0.133 0.000 2.198 518 D HA 0.778 5.434 4.640 0.027 0.000 0.247 518 D C 0.247 176.437 176.300 -0.183 0.000 1.010 518 D CA -0.054 53.897 54.000 -0.082 0.000 0.880 518 D CB 2.458 43.179 40.800 -0.133 0.000 1.209 518 D HN 0.754 nan 8.370 nan 0.000 0.451 519 G N 0.554 109.212 108.800 -0.237 0.000 2.435 519 G HA2 0.325 4.302 3.960 0.027 0.000 0.228 519 G HA3 0.325 4.302 3.960 0.027 0.000 0.228 519 G C -1.290 173.342 174.900 -0.446 0.000 1.198 519 G CA -0.601 44.271 45.100 -0.380 0.000 0.948 519 G HN 0.268 nan 8.290 nan 0.000 0.487 520 R N -0.924 119.291 120.500 -0.475 0.000 2.808 520 R HA 0.642 4.998 4.340 0.027 0.000 0.272 520 R C 0.564 176.523 176.300 -0.568 0.000 0.995 520 R CA -0.061 55.818 56.100 -0.368 0.000 0.917 520 R CB 1.185 31.510 30.300 0.041 0.000 1.217 520 R HN 2.168 nan 8.270 nan 0.000 0.471 521 G N 0.939 109.536 108.800 -0.339 0.000 2.160 521 G HA2 -0.288 3.689 3.960 0.027 0.000 0.251 521 G HA3 -0.288 3.689 3.960 0.027 0.000 0.251 521 G C 0.539 175.421 174.900 -0.030 0.000 1.008 521 G CA 0.556 45.562 45.100 -0.156 0.000 0.724 521 G HN 0.584 nan 8.290 nan 0.000 0.514 522 F N 0.870 120.852 119.950 0.053 0.000 2.558 522 F HA 0.329 4.873 4.527 0.027 0.000 0.298 522 F C 2.033 178.084 175.800 0.419 0.000 1.119 522 F CA 0.653 58.734 58.000 0.135 0.000 1.451 522 F CB 0.166 39.018 39.000 -0.247 0.000 1.091 522 F HN 0.806 nan 8.300 nan 0.000 0.563 523 G N 0.553 109.601 108.800 0.413 0.000 2.829 523 G HA2 -0.249 3.727 3.960 0.027 0.000 0.628 523 G HA3 -0.249 3.727 3.960 0.027 0.000 0.628 523 G C 0.530 175.683 174.900 0.420 0.000 1.412 523 G CA -0.218 45.078 45.100 0.328 0.000 0.864 523 G HN 0.258 nan 8.290 nan 0.000 0.544 524 S N -0.527 115.309 115.700 0.228 0.000 2.528 524 S HA 0.442 4.928 4.470 0.027 0.000 0.219 524 S C 1.305 175.949 174.600 0.073 0.000 0.985 524 S CA 0.972 59.293 58.200 0.201 0.000 0.914 524 S CB 0.658 63.922 63.200 0.105 0.000 0.776 524 S HN 1.921 nan 8.310 nan 0.000 0.526 525 G N 1.382 110.135 108.800 -0.079 0.000 2.356 525 G HA2 0.423 4.399 3.960 0.027 0.000 0.298 525 G HA3 0.423 4.399 3.960 0.027 0.000 0.298 525 G C -0.584 173.842 174.900 -0.790 0.000 1.145 525 G CA -0.820 44.113 45.100 -0.278 0.000 0.850 525 G HN 0.205 nan 8.290 nan 0.000 0.487 526 K N 0.986 120.909 120.400 -0.796 0.000 2.524 526 K HA 0.195 4.531 4.320 0.027 0.000 0.279 526 K C 0.968 176.833 176.600 -1.225 0.000 0.993 526 K CA 0.690 56.259 56.287 -1.197 0.000 1.030 526 K CB 0.813 33.018 32.500 -0.491 0.000 0.891 526 K HN 0.574 nan 8.250 nan 0.000 0.488 527 G N 1.563 109.252 108.800 -1.851 0.000 3.341 527 G HA2 0.335 4.311 3.960 0.027 0.000 0.177 527 G HA3 0.335 4.311 3.960 0.027 0.000 0.177 527 G C -0.863 173.817 174.900 -0.368 0.000 1.236 527 G CA -0.248 44.364 45.100 -0.814 0.000 0.888 527 G HN 0.507 nan 8.290 nan 0.000 0.644 528 T N -0.181 114.335 114.554 -0.062 0.000 2.876 528 T HA 0.583 4.949 4.350 0.027 0.000 0.289 528 T C -1.015 173.652 174.700 -0.055 0.000 1.014 528 T CA -0.271 61.756 62.100 -0.123 0.000 0.986 528 T CB 2.148 70.852 68.868 -0.273 0.000 1.021 528 T HN 0.314 nan 8.240 nan 0.000 0.458 529 V N 2.888 122.712 119.914 -0.150 0.000 2.495 529 V HA 0.494 4.630 4.120 0.027 0.000 0.298 529 V C -1.321 174.627 176.094 -0.244 0.000 1.031 529 V CA -0.896 61.324 62.300 -0.134 0.000 0.871 529 V CB 1.117 32.902 31.823 -0.063 0.000 0.988 529 V HN 0.827 nan 8.190 nan 0.000 0.432 530 Y N 3.571 123.832 120.300 -0.065 0.000 2.352 530 Y HA 0.623 5.190 4.550 0.027 0.000 0.339 530 Y C -0.455 175.370 175.900 -0.126 0.000 0.992 530 Y CA -0.649 57.452 58.100 0.002 0.000 1.100 530 Y CB 1.709 40.172 38.460 0.005 0.000 1.192 530 Y HN 0.515 nan 8.280 nan 0.000 0.458 531 F N 2.442 122.455 119.950 0.106 0.000 2.325 531 F HA 0.531 5.074 4.527 0.027 0.000 0.369 531 F C 0.938 176.887 175.800 0.248 0.000 1.095 531 F CA -0.355 57.683 58.000 0.064 0.000 1.082 531 F CB 0.939 39.835 39.000 -0.174 0.000 1.289 531 F HN 0.799 nan 8.300 nan 0.000 0.462 532 G N 2.515 111.562 108.800 0.413 0.000 2.596 532 G HA2 -0.385 3.591 3.960 0.027 0.000 0.304 532 G HA3 -0.385 3.591 3.960 0.027 0.000 0.304 532 G C 1.047 176.100 174.900 0.255 0.000 1.189 532 G CA 0.551 45.854 45.100 0.338 0.000 0.986 532 G HN 0.810 nan 8.290 nan 0.000 0.548 533 T N -1.930 112.770 114.554 0.242 0.000 3.086 533 T HA 0.447 4.813 4.350 0.027 0.000 0.250 533 T C 0.838 175.726 174.700 0.313 0.000 1.074 533 T CA 1.299 63.529 62.100 0.218 0.000 0.988 533 T CB 0.182 69.129 68.868 0.131 0.000 0.988 533 T HN 0.721 nan 8.240 nan 0.000 0.530 534 T N 3.382 118.121 114.554 0.308 0.000 2.723 534 T HA 0.630 4.996 4.350 0.027 0.000 0.297 534 T C 0.322 175.129 174.700 0.178 0.000 0.925 534 T CA -0.528 61.699 62.100 0.211 0.000 1.030 534 T CB 0.680 69.633 68.868 0.141 0.000 0.905 534 T HN 0.513 nan 8.240 nan 0.000 0.502 535 A N 3.883 126.734 122.820 0.051 0.000 2.409 535 A HA 0.586 4.923 4.320 0.027 0.000 0.262 535 A C -0.028 177.466 177.584 -0.149 0.000 1.113 535 A CA -0.490 51.389 52.037 -0.262 0.000 0.790 535 A CB 0.316 19.165 19.000 -0.251 0.000 1.046 535 A HN 0.676 nan 8.150 nan 0.000 0.496 536 V N 3.090 122.907 119.914 -0.162 0.000 2.487 536 V HA 0.720 4.856 4.120 0.027 0.000 0.298 536 V C 0.406 176.443 176.094 -0.094 0.000 1.028 536 V CA 0.200 62.453 62.300 -0.079 0.000 0.860 536 V CB 1.438 33.263 31.823 0.003 0.000 0.991 536 V HN 1.245 nan 8.190 nan 0.000 0.427 537 T N 0.758 115.264 114.554 -0.080 0.000 2.696 537 T HA 0.852 5.219 4.350 0.027 0.000 0.291 537 T C 0.550 175.212 174.700 -0.063 0.000 1.095 537 T CA 0.155 62.205 62.100 -0.083 0.000 1.026 537 T CB 1.354 70.157 68.868 -0.108 0.000 1.390 537 T HN 1.762 nan 8.240 nan 0.000 0.513 538 G N 1.051 109.807 108.800 -0.073 0.000 2.611 538 G HA2 -0.052 3.924 3.960 0.027 0.000 0.301 538 G HA3 -0.052 3.924 3.960 0.027 0.000 0.301 538 G C 1.297 176.173 174.900 -0.039 0.000 1.233 538 G CA 1.299 46.362 45.100 -0.060 0.000 0.993 538 G HN 1.938 nan 8.290 nan 0.000 0.553 539 A N -0.676 122.122 122.820 -0.036 0.000 2.125 539 A HA 0.105 4.441 4.320 0.027 0.000 0.219 539 A C 1.881 179.449 177.584 -0.026 0.000 1.156 539 A CA 2.253 54.273 52.037 -0.028 0.000 0.671 539 A CB -0.344 18.638 19.000 -0.029 0.000 0.794 539 A HN 0.614 nan 8.150 nan 0.000 0.459 540 D N -0.431 119.950 120.400 -0.031 0.000 2.347 540 D HA 0.071 4.728 4.640 0.027 0.000 0.213 540 D C 0.265 176.555 176.300 -0.016 0.000 0.985 540 D CA 0.477 54.455 54.000 -0.036 0.000 0.879 540 D CB 0.118 40.886 40.800 -0.054 0.000 0.919 540 D HN 0.440 nan 8.370 nan 0.000 0.526 541 I N 1.511 122.087 120.570 0.010 0.000 2.301 541 I HA -0.009 4.177 4.170 0.027 0.000 0.292 541 I C 1.501 177.640 176.117 0.037 0.000 1.046 541 I CA -0.416 60.914 61.300 0.050 0.000 1.282 541 I CB 2.041 40.122 38.000 0.135 0.000 1.409 541 I HN -0.295 nan 8.210 nan 0.000 0.484 542 V N 6.151 126.075 119.914 0.017 0.000 2.515 542 V HA -0.025 4.111 4.120 0.027 0.000 0.250 542 V C 0.942 177.051 176.094 0.024 0.000 1.058 542 V CA 1.509 63.812 62.300 0.006 0.000 1.064 542 V CB -0.255 31.561 31.823 -0.013 0.000 0.675 542 V HN 0.866 nan 8.190 nan 0.000 0.461 543 A N -1.759 121.088 122.820 0.044 0.000 2.589 543 A HA 0.631 4.967 4.320 0.027 0.000 0.296 543 A C -2.142 175.521 177.584 0.131 0.000 1.062 543 A CA -0.403 51.673 52.037 0.066 0.000 0.686 543 A CB 1.599 20.610 19.000 0.019 0.000 1.282 543 A HN 0.210 nan 8.150 nan 0.000 0.404 544 W N 2.715 123.998 121.300 -0.030 0.000 3.405 544 W HA 0.562 5.239 4.660 0.028 0.000 0.329 544 W C -1.152 175.379 176.519 0.020 0.000 1.142 544 W CA -0.249 57.083 57.345 -0.022 0.000 1.235 544 W CB 1.625 31.061 29.460 -0.040 0.000 1.341 544 W HN 1.102 nan 8.180 nan 0.000 0.481 545 E N 1.498 121.771 120.200 0.121 0.000 2.456 545 E HA 0.242 4.609 4.350 0.027 0.000 0.278 545 E C -0.565 176.131 176.600 0.160 0.000 1.034 545 E CA -0.582 55.949 56.400 0.219 0.000 0.846 545 E CB 1.557 31.326 29.700 0.115 0.000 1.460 545 E HN 0.137 nan 8.360 nan 0.000 0.463 546 D N -0.412 120.079 120.400 0.151 0.000 2.218 546 D HA -0.116 4.540 4.640 0.027 0.000 0.204 546 D C 1.471 177.724 176.300 -0.079 0.000 0.976 546 D CA 2.271 56.322 54.000 0.085 0.000 0.853 546 D CB 0.221 41.043 40.800 0.037 0.000 0.939 546 D HN 0.537 nan 8.370 nan 0.000 0.481 547 T N -3.573 110.963 114.554 -0.030 0.000 3.044 547 T HA 0.165 4.532 4.350 0.027 0.000 0.260 547 T C 0.428 175.165 174.700 0.061 0.000 1.019 547 T CA -0.567 61.473 62.100 -0.099 0.000 0.921 547 T CB 0.476 69.309 68.868 -0.059 0.000 1.053 547 T HN 0.088 nan 8.240 nan 0.000 0.533 548 Q N 0.168 120.056 119.800 0.147 0.000 2.403 548 Q HA 0.603 4.960 4.340 0.027 0.000 0.267 548 Q C -2.217 173.691 176.000 -0.154 0.000 0.991 548 Q CA -0.771 55.056 55.803 0.040 0.000 0.906 548 Q CB 1.916 30.642 28.738 -0.019 0.000 1.422 548 Q HN 0.442 nan 8.270 nan 0.000 0.400 549 I N 2.394 122.760 120.570 -0.340 0.000 2.608 549 I HA 0.400 4.587 4.170 0.027 0.000 0.295 549 I C -0.768 175.193 176.117 -0.261 0.000 1.049 549 I CA -0.672 60.349 61.300 -0.466 0.000 1.063 549 I CB 2.352 39.798 38.000 -0.924 0.000 1.248 549 I HN 0.523 nan 8.210 nan 0.000 0.424 550 Q N 4.600 124.311 119.800 -0.147 0.000 2.330 550 Q HA 0.716 5.072 4.340 0.027 0.000 0.269 550 Q C -1.435 174.530 176.000 -0.058 0.000 1.022 550 Q CA -0.625 55.122 55.803 -0.093 0.000 0.796 550 Q CB 3.492 32.196 28.738 -0.057 0.000 1.271 550 Q HN 0.483 nan 8.270 nan 0.000 0.450 551 V N 2.165 122.052 119.914 -0.046 0.000 3.049 551 V HA 0.449 4.585 4.120 0.027 0.000 0.309 551 V C -1.563 174.520 176.094 -0.018 0.000 1.148 551 V CA -0.752 61.541 62.300 -0.013 0.000 0.990 551 V CB 2.424 34.254 31.823 0.012 0.000 1.039 551 V HN 0.656 nan 8.190 nan 0.000 0.430 552 K N 5.223 125.593 120.400 -0.050 0.000 2.205 552 K HA 0.533 4.869 4.320 0.027 0.000 0.279 552 K C -0.446 176.021 176.600 -0.222 0.000 1.027 552 K CA -0.370 55.859 56.287 -0.098 0.000 0.932 552 K CB 1.397 33.841 32.500 -0.094 0.000 1.032 552 K HN 0.594 nan 8.250 nan 0.000 0.466 553 I N 5.969 126.369 120.570 -0.284 0.000 2.668 553 I HA -0.011 4.175 4.170 0.027 0.000 0.285 553 I C -1.504 174.293 176.117 -0.533 0.000 1.168 553 I CA -1.470 59.463 61.300 -0.613 0.000 1.424 553 I CB 0.094 37.904 38.000 -0.316 0.000 1.377 553 I HN 0.401 nan 8.210 nan 0.000 0.560 554 P HA 0.044 nan 4.420 nan 0.000 0.272 554 P C -0.664 176.455 177.300 -0.302 0.000 1.240 554 P CA -0.533 62.325 63.100 -0.403 0.000 0.791 554 P CB 0.735 32.205 31.700 -0.382 0.000 0.978 555 A N 1.663 124.374 122.820 -0.181 0.000 3.037 555 A HA 0.390 4.727 4.320 0.027 0.000 0.272 555 A C 0.647 178.175 177.584 -0.092 0.000 1.723 555 A CA -0.436 51.529 52.037 -0.119 0.000 1.413 555 A CB -1.491 17.464 19.000 -0.075 0.000 1.112 555 A HN 0.386 nan 8.150 nan 0.000 0.606 556 V N -1.082 118.753 119.914 -0.131 0.000 2.834 556 V HA 0.656 4.792 4.120 0.027 0.000 0.313 556 V C -2.493 173.615 176.094 0.023 0.000 1.060 556 V CA -2.571 59.693 62.300 -0.061 0.000 0.989 556 V CB 0.567 32.270 31.823 -0.201 0.000 1.041 556 V HN 0.449 nan 8.190 nan 0.000 0.459 557 P HA 0.252 nan 4.420 nan 0.000 0.269 557 P C 0.358 177.787 177.300 0.216 0.000 1.217 557 P CA 0.438 63.627 63.100 0.148 0.000 0.783 557 P CB 0.125 31.916 31.700 0.153 0.000 0.898 558 G N 0.347 109.237 108.800 0.151 0.000 2.441 558 G HA2 0.481 4.457 3.960 0.027 0.000 0.243 558 G HA3 0.481 4.457 3.960 0.027 0.000 0.243 558 G C 0.115 175.145 174.900 0.217 0.000 1.281 558 G CA 0.399 45.598 45.100 0.164 0.000 0.854 558 G HN 0.786 nan 8.290 nan 0.000 0.560 559 G N 0.085 109.048 108.800 0.271 0.000 2.327 559 G HA2 0.343 4.320 3.960 0.027 0.000 0.291 559 G HA3 0.343 4.320 3.960 0.027 0.000 0.291 559 G C -1.489 173.528 174.900 0.196 0.000 1.290 559 G CA -0.940 44.248 45.100 0.146 0.000 0.857 559 G HN 0.590 nan 8.290 nan 0.000 0.520 560 I N 0.750 121.318 120.570 -0.004 0.000 2.354 560 I HA 0.542 4.728 4.170 0.027 0.000 0.292 560 I C -0.881 175.213 176.117 -0.039 0.000 0.989 560 I CA -0.722 60.628 61.300 0.082 0.000 1.188 560 I CB 0.905 38.916 38.000 0.019 0.000 1.342 560 I HN 0.448 nan 8.210 nan 0.000 0.457 561 Y N 3.258 123.696 120.300 0.230 0.000 2.524 561 Y HA 0.377 4.943 4.550 0.027 0.000 0.344 561 Y C 0.232 176.245 175.900 0.188 0.000 1.012 561 Y CA -0.904 57.335 58.100 0.231 0.000 1.068 561 Y CB 1.508 40.175 38.460 0.346 0.000 1.249 561 Y HN 0.441 nan 8.280 nan 0.000 0.468 562 D N 2.569 123.120 120.400 0.252 0.000 2.210 562 D HA 0.396 5.052 4.640 0.027 0.000 0.249 562 D C -0.469 175.872 176.300 0.069 0.000 1.062 562 D CA 0.088 54.175 54.000 0.145 0.000 0.891 562 D CB 1.695 42.543 40.800 0.080 0.000 1.186 562 D HN 0.368 nan 8.370 nan 0.000 0.432 563 I N 1.511 122.066 120.570 -0.024 0.000 2.493 563 I HA 0.421 4.607 4.170 0.027 0.000 0.298 563 I C 0.268 176.329 176.117 -0.093 0.000 0.998 563 I CA -0.663 60.489 61.300 -0.246 0.000 1.137 563 I CB 1.805 39.538 38.000 -0.446 0.000 1.310 563 I HN 0.033 nan 8.210 nan 0.000 0.445 564 R N 4.055 124.508 120.500 -0.079 0.000 2.626 564 R HA 0.678 5.034 4.340 0.027 0.000 0.274 564 R C -2.031 174.314 176.300 0.075 0.000 1.031 564 R CA -0.555 55.560 56.100 0.024 0.000 0.898 564 R CB 2.396 32.721 30.300 0.042 0.000 1.222 564 R HN 0.399 nan 8.270 nan 0.000 0.455 565 V N 2.363 122.310 119.914 0.054 0.000 2.581 565 V HA 0.779 4.915 4.120 0.027 0.000 0.303 565 V C -0.504 175.714 176.094 0.208 0.000 1.041 565 V CA -0.566 61.770 62.300 0.060 0.000 0.907 565 V CB 1.680 33.393 31.823 -0.184 0.000 0.994 565 V HN 0.890 nan 8.190 nan 0.000 0.442 566 A N 3.934 126.925 122.820 0.285 0.000 2.330 566 A HA 0.732 5.068 4.320 0.027 0.000 0.313 566 A C -0.120 177.639 177.584 0.291 0.000 1.124 566 A CA -0.807 51.391 52.037 0.269 0.000 0.774 566 A CB 0.773 19.953 19.000 0.300 0.000 1.198 566 A HN 0.943 nan 8.150 nan 0.000 0.465 567 N N 1.905 120.774 118.700 0.282 0.000 2.294 567 N HA 0.318 5.075 4.740 0.027 0.000 0.248 567 N C 1.120 176.653 175.510 0.038 0.000 1.300 567 N CA 0.178 53.392 53.050 0.273 0.000 0.925 567 N CB 0.326 38.982 38.487 0.281 0.000 1.188 567 N HN 0.582 nan 8.380 nan 0.000 0.512 568 A N -1.012 121.757 122.820 -0.085 0.000 2.070 568 A HA 0.042 4.378 4.320 0.027 0.000 0.220 568 A C 2.008 179.562 177.584 -0.050 0.000 1.159 568 A CA 1.765 53.721 52.037 -0.135 0.000 0.656 568 A CB -1.298 17.595 19.000 -0.178 0.000 0.800 568 A HN 0.865 nan 8.150 nan 0.000 0.453 569 A N -2.144 120.674 122.820 -0.002 0.000 2.169 569 A HA 0.412 4.748 4.320 0.027 0.000 0.212 569 A C 1.818 179.417 177.584 0.025 0.000 1.153 569 A CA 1.273 53.316 52.037 0.011 0.000 0.756 569 A CB -0.581 18.433 19.000 0.025 0.000 0.813 569 A HN 1.800 nan 8.150 nan 0.000 0.471 570 G N -2.207 106.619 108.800 0.044 0.000 2.179 570 G HA2 0.137 4.113 3.960 0.027 0.000 0.220 570 G HA3 0.137 4.113 3.960 0.027 0.000 0.220 570 G C 0.347 175.291 174.900 0.074 0.000 0.990 570 G CA 0.127 45.264 45.100 0.061 0.000 0.646 570 G HN 1.521 nan 8.290 nan 0.000 0.517 571 A N 0.213 123.080 122.820 0.078 0.000 2.409 571 A HA 0.847 5.184 4.320 0.027 0.000 0.267 571 A C 0.783 178.429 177.584 0.103 0.000 1.127 571 A CA 1.018 53.100 52.037 0.075 0.000 0.795 571 A CB 0.575 19.616 19.000 0.069 0.000 1.061 571 A HN 2.026 nan 8.150 nan 0.000 0.502 572 A N 2.659 125.527 122.820 0.081 0.000 2.295 572 A HA 0.696 5.032 4.320 0.027 0.000 0.318 572 A C 0.818 178.445 177.584 0.072 0.000 1.134 572 A CA 0.114 52.204 52.037 0.088 0.000 0.827 572 A CB 0.357 19.381 19.000 0.041 0.000 1.136 572 A HN 1.675 nan 8.150 nan 0.000 0.493 573 S N 1.665 117.418 115.700 0.089 0.000 2.671 573 S HA 0.352 4.838 4.470 0.027 0.000 0.272 573 S C 0.306 174.931 174.600 0.042 0.000 1.174 573 S CA -0.593 57.653 58.200 0.076 0.000 1.004 573 S CB 0.146 63.422 63.200 0.127 0.000 1.077 573 S HN 0.915 nan 8.310 nan 0.000 0.553 574 N N 0.037 118.758 118.700 0.035 0.000 2.340 574 N HA 0.096 4.852 4.740 0.027 0.000 0.236 574 N C -0.462 175.084 175.510 0.060 0.000 1.296 574 N CA -0.249 52.822 53.050 0.034 0.000 0.896 574 N CB -0.126 38.384 38.487 0.038 0.000 1.127 574 N HN 0.693 nan 8.380 nan 0.000 0.442 575 I N 0.701 121.299 120.570 0.047 0.000 2.365 575 I HA 0.068 4.254 4.170 0.027 0.000 0.291 575 I C -0.621 175.557 176.117 0.102 0.000 1.004 575 I CA -0.657 60.676 61.300 0.056 0.000 1.311 575 I CB 0.427 38.438 38.000 0.020 0.000 1.401 575 I HN 0.482 nan 8.210 nan 0.000 0.491 576 Y N 7.017 127.312 120.300 -0.008 0.000 2.369 576 Y HA 0.174 4.740 4.550 0.027 0.000 0.337 576 Y C 0.193 176.113 175.900 0.034 0.000 0.961 576 Y CA -0.737 57.371 58.100 0.014 0.000 1.186 576 Y CB 0.469 38.927 38.460 -0.004 0.000 1.139 576 Y HN 0.583 nan 8.280 nan 0.000 0.494 577 D N 2.944 123.324 120.400 -0.033 0.000 2.478 577 D HA 0.128 4.784 4.640 0.027 0.000 0.263 577 D C -0.120 176.234 176.300 0.090 0.000 1.153 577 D CA -0.545 53.482 54.000 0.045 0.000 1.038 577 D CB 0.925 41.717 40.800 -0.013 0.000 1.120 577 D HN 0.768 nan 8.370 nan 0.000 0.564 578 N N -1.573 117.198 118.700 0.119 0.000 2.815 578 N HA -0.219 4.538 4.740 0.027 0.000 0.249 578 N C -1.209 174.410 175.510 0.181 0.000 1.114 578 N CA -0.219 52.897 53.050 0.110 0.000 0.717 578 N CB -1.263 37.249 38.487 0.042 0.000 1.074 578 N HN 0.390 nan 8.380 nan 0.000 0.555 579 F N 2.254 122.300 119.950 0.159 0.000 2.420 579 F HA 0.324 4.867 4.527 0.027 0.000 0.352 579 F C 0.499 176.428 175.800 0.215 0.000 1.108 579 F CA -0.223 57.893 58.000 0.192 0.000 1.162 579 F CB 0.881 40.013 39.000 0.221 0.000 1.118 579 F HN 0.069 nan 8.300 nan 0.000 0.510 580 E N 5.558 125.463 120.200 -0.492 0.000 2.134 580 E HA 0.394 4.760 4.350 0.027 0.000 0.278 580 E C -1.466 174.998 176.600 -0.226 0.000 0.959 580 E CA -0.727 55.553 56.400 -0.200 0.000 0.783 580 E CB 1.211 30.807 29.700 -0.174 0.000 1.095 580 E HN 0.512 nan 8.360 nan 0.000 0.399 581 V N 6.456 126.463 119.914 0.155 0.000 2.406 581 V HA 0.200 4.336 4.120 0.027 0.000 0.272 581 V C 0.419 176.559 176.094 0.077 0.000 1.043 581 V CA -0.442 61.947 62.300 0.148 0.000 0.915 581 V CB 0.816 32.732 31.823 0.155 0.000 0.988 581 V HN 0.686 nan 8.190 nan 0.000 0.466 582 L N 3.805 125.039 121.223 0.018 0.000 2.439 582 L HA 0.281 4.637 4.340 0.027 0.000 0.261 582 L C 1.696 178.580 176.870 0.024 0.000 1.153 582 L CA -0.181 54.666 54.840 0.011 0.000 0.808 582 L CB 0.746 42.796 42.059 -0.014 0.000 1.126 582 L HN 0.653 nan 8.230 nan 0.000 0.460 583 T N -0.057 114.511 114.554 0.023 0.000 2.951 583 T HA 0.133 4.499 4.350 0.027 0.000 0.268 583 T C 0.594 175.302 174.700 0.013 0.000 1.073 583 T CA 0.923 63.036 62.100 0.023 0.000 1.134 583 T CB 0.035 68.916 68.868 0.022 0.000 0.884 583 T HN 0.883 nan 8.240 nan 0.000 0.479 584 G N -0.007 108.798 108.800 0.008 0.000 2.348 584 G HA2 0.321 4.297 3.960 0.027 0.000 0.296 584 G HA3 0.321 4.297 3.960 0.027 0.000 0.296 584 G C -2.074 172.827 174.900 0.002 0.000 1.258 584 G CA -0.864 44.238 45.100 0.004 0.000 0.868 584 G HN 0.017 nan 8.290 nan 0.000 0.488 585 D N 0.564 120.965 120.400 0.003 0.000 2.362 585 D HA 0.306 4.963 4.640 0.027 0.000 0.238 585 D C -0.113 176.191 176.300 0.006 0.000 1.212 585 D CA 0.583 54.584 54.000 0.001 0.000 0.902 585 D CB 0.696 41.498 40.800 0.004 0.000 1.180 585 D HN 0.180 nan 8.370 nan 0.000 0.445 586 Q N 0.242 120.044 119.800 0.003 0.000 2.365 586 Q HA 0.513 4.869 4.340 0.027 0.000 0.269 586 Q C -0.437 175.584 176.000 0.034 0.000 1.061 586 Q CA -0.942 54.870 55.803 0.015 0.000 0.816 586 Q CB 2.301 31.036 28.738 -0.006 0.000 1.325 586 Q HN 0.322 nan 8.270 nan 0.000 0.446 587 V N -1.548 118.406 119.914 0.066 0.000 2.914 587 V HA 0.730 4.867 4.120 0.027 0.000 0.314 587 V C -0.175 175.999 176.094 0.134 0.000 1.084 587 V CA -0.823 61.537 62.300 0.100 0.000 0.963 587 V CB 1.961 33.848 31.823 0.107 0.000 1.025 587 V HN 0.660 nan 8.190 nan 0.000 0.432 588 T N 2.682 117.345 114.554 0.182 0.000 2.744 588 T HA 0.618 4.984 4.350 0.027 0.000 0.291 588 T C -0.259 174.561 174.700 0.201 0.000 0.957 588 T CA -0.207 62.028 62.100 0.224 0.000 1.002 588 T CB 1.153 70.222 68.868 0.335 0.000 0.919 588 T HN 0.664 nan 8.240 nan 0.000 0.468 589 V N 4.092 124.111 119.914 0.175 0.000 2.513 589 V HA 0.478 4.614 4.120 0.027 0.000 0.299 589 V C 0.347 176.454 176.094 0.021 0.000 1.035 589 V CA -1.077 61.234 62.300 0.019 0.000 0.889 589 V CB 1.750 33.498 31.823 -0.126 0.000 0.988 589 V HN 0.728 nan 8.190 nan 0.000 0.440 590 R N 3.581 124.062 120.500 -0.032 0.000 2.234 590 R HA 0.451 4.807 4.340 0.027 0.000 0.324 590 R C -1.439 174.798 176.300 -0.105 0.000 1.054 590 R CA -0.224 55.930 56.100 0.091 0.000 0.912 590 R CB 0.426 30.818 30.300 0.155 0.000 1.030 590 R HN 0.531 nan 8.270 nan 0.000 0.455 591 F N 3.912 123.930 119.950 0.113 0.000 2.420 591 F HA 0.399 4.942 4.527 0.027 0.000 0.342 591 F C -0.233 175.666 175.800 0.165 0.000 1.113 591 F CA -0.678 57.398 58.000 0.127 0.000 1.059 591 F CB 1.983 41.099 39.000 0.193 0.000 1.128 591 F HN 0.113 nan 8.300 nan 0.000 0.475 592 V N 5.029 125.054 119.914 0.186 0.000 2.531 592 V HA 0.477 4.613 4.120 0.027 0.000 0.301 592 V C -1.007 175.029 176.094 -0.097 0.000 1.034 592 V CA -0.751 61.519 62.300 -0.051 0.000 0.865 592 V CB 2.097 33.694 31.823 -0.378 0.000 0.995 592 V HN 0.560 nan 8.190 nan 0.000 0.424 593 I N 5.112 125.577 120.570 -0.176 0.000 2.447 593 I HA 0.537 4.723 4.170 0.027 0.000 0.287 593 I C -0.355 175.718 176.117 -0.074 0.000 1.023 593 I CA 0.062 61.165 61.300 -0.327 0.000 1.083 593 I CB 1.465 38.944 38.000 -0.868 0.000 1.245 593 I HN 0.596 nan 8.210 nan 0.000 0.434 594 N N 5.941 124.612 118.700 -0.047 0.000 2.482 594 N HA 0.348 5.104 4.740 0.027 0.000 0.279 594 N C -0.358 175.181 175.510 0.049 0.000 1.182 594 N CA -0.448 52.605 53.050 0.004 0.000 0.969 594 N CB 0.853 39.335 38.487 -0.007 0.000 1.201 594 N HN 0.571 nan 8.380 nan 0.000 0.523 595 N N -0.745 117.960 118.700 0.008 0.000 2.740 595 N HA -0.184 4.572 4.740 0.027 0.000 0.248 595 N C -1.000 174.486 175.510 -0.039 0.000 1.062 595 N CA 0.528 53.569 53.050 -0.016 0.000 0.704 595 N CB -1.228 37.280 38.487 0.035 0.000 0.968 595 N HN 0.647 nan 8.380 nan 0.000 0.547 596 A N 0.314 123.100 122.820 -0.056 0.000 2.838 596 A HA 0.458 4.794 4.320 0.027 0.000 0.337 596 A C 0.714 178.224 177.584 -0.124 0.000 1.383 596 A CA -0.321 51.584 52.037 -0.221 0.000 0.985 596 A CB 0.052 18.954 19.000 -0.163 0.000 1.157 596 A HN 0.237 nan 8.150 nan 0.000 0.497 597 T N 0.565 114.999 114.554 -0.199 0.000 2.869 597 T HA 0.552 4.918 4.350 0.027 0.000 0.295 597 T C 0.448 175.184 174.700 0.059 0.000 0.987 597 T CA 0.122 62.217 62.100 -0.008 0.000 1.109 597 T CB 0.964 69.819 68.868 -0.022 0.000 0.932 597 T HN 0.762 nan 8.240 nan 0.000 0.518 598 T N -0.395 114.351 114.554 0.319 0.000 2.926 598 T HA 0.820 5.186 4.350 0.027 0.000 0.289 598 T C 0.185 174.965 174.700 0.133 0.000 1.054 598 T CA -0.825 61.370 62.100 0.158 0.000 1.015 598 T CB 1.466 70.466 68.868 0.219 0.000 1.167 598 T HN 0.962 nan 8.240 nan 0.000 0.526 599 A N 1.117 123.974 122.820 0.063 0.000 2.336 599 A HA 0.739 5.076 4.320 0.027 0.000 0.291 599 A C 0.623 178.228 177.584 0.034 0.000 1.266 599 A CA -1.076 50.986 52.037 0.041 0.000 0.891 599 A CB -0.311 18.703 19.000 0.023 0.000 1.366 599 A HN 1.402 nan 8.150 nan 0.000 0.507 600 L N -1.671 119.563 121.223 0.019 0.000 2.628 600 L HA 0.437 4.793 4.340 0.027 0.000 0.274 600 L C 0.908 177.795 176.870 0.027 0.000 1.209 600 L CA 0.451 55.299 54.840 0.013 0.000 0.930 600 L CB -0.992 41.072 42.059 0.009 0.000 1.183 600 L HN 1.631 nan 8.230 nan 0.000 0.492 601 G N 1.733 110.555 108.800 0.036 0.000 2.203 601 G HA2 -0.347 3.629 3.960 0.027 0.000 0.263 601 G HA3 -0.347 3.629 3.960 0.027 0.000 0.263 601 G C 0.165 175.108 174.900 0.071 0.000 1.012 601 G CA 0.754 45.887 45.100 0.055 0.000 0.749 601 G HN 0.996 nan 8.290 nan 0.000 0.512 602 Q N -0.124 119.721 119.800 0.075 0.000 2.282 602 Q HA 0.552 4.908 4.340 0.027 0.000 0.260 602 Q C -0.339 175.714 176.000 0.088 0.000 0.964 602 Q CA -0.840 55.003 55.803 0.067 0.000 0.880 602 Q CB 0.699 29.456 28.738 0.032 0.000 1.286 602 Q HN 0.366 nan 8.270 nan 0.000 0.445 603 N N 1.500 120.232 118.700 0.054 0.000 2.405 603 N HA 0.427 5.184 4.740 0.027 0.000 0.285 603 N C -1.362 173.877 175.510 -0.452 0.000 1.262 603 N CA -0.456 52.501 53.050 -0.155 0.000 0.773 603 N CB 2.182 40.623 38.487 -0.076 0.000 1.490 603 N HN 0.296 nan 8.380 nan 0.000 0.486 604 V N 1.611 120.827 119.914 -1.164 0.000 2.617 604 V HA 0.568 4.704 4.120 0.027 0.000 0.298 604 V C -0.740 174.914 176.094 -0.733 0.000 1.048 604 V CA -0.170 61.627 62.300 -0.838 0.000 0.964 604 V CB 0.533 31.541 31.823 -1.360 0.000 1.004 604 V HN 0.478 nan 8.190 nan 0.000 0.466 605 F N 3.104 122.946 119.950 -0.180 0.000 2.629 605 F HA 0.731 5.274 4.527 0.027 0.000 0.316 605 F C -0.501 175.256 175.800 -0.072 0.000 1.081 605 F CA -0.881 57.025 58.000 -0.157 0.000 0.954 605 F CB 1.884 40.769 39.000 -0.192 0.000 1.337 605 F HN 0.329 nan 8.300 nan 0.000 0.474 606 L N 0.937 122.166 121.223 0.009 0.000 2.365 606 L HA 0.881 5.237 4.340 0.027 0.000 0.273 606 L C -0.564 176.192 176.870 -0.190 0.000 1.000 606 L CA 0.165 54.860 54.840 -0.242 0.000 0.819 606 L CB 1.963 43.756 42.059 -0.444 0.000 1.284 606 L HN 0.670 nan 8.230 nan 0.000 0.418 607 T N 2.345 116.796 114.554 -0.171 0.000 2.816 607 T HA 0.936 5.302 4.350 0.027 0.000 0.299 607 T C -0.708 173.842 174.700 -0.250 0.000 1.230 607 T CA 0.006 62.036 62.100 -0.117 0.000 1.007 607 T CB 1.497 70.412 68.868 0.078 0.000 1.289 607 T HN 1.150 nan 8.240 nan 0.000 0.508 608 G N 1.134 109.584 108.800 -0.583 0.000 2.489 608 G HA2 0.335 4.311 3.960 0.027 0.000 0.305 608 G HA3 0.335 4.311 3.960 0.027 0.000 0.305 608 G C -0.244 173.792 174.900 -1.440 0.000 1.311 608 G CA -0.057 44.344 45.100 -1.165 0.000 0.813 608 G HN 0.732 nan 8.290 nan 0.000 0.480 609 N N -0.863 117.160 118.700 -1.129 0.000 2.336 609 N HA 0.041 4.797 4.740 0.027 0.000 0.189 609 N C 0.764 176.108 175.510 -0.277 0.000 1.113 609 N CA 0.770 53.398 53.050 -0.704 0.000 0.858 609 N CB 0.167 38.553 38.487 -0.168 0.000 0.970 609 N HN 0.832 nan 8.380 nan 0.000 0.471 610 V N -2.357 117.425 119.914 -0.221 0.000 2.975 610 V HA 0.463 4.600 4.120 0.027 0.000 0.318 610 V C 1.513 177.548 176.094 -0.098 0.000 1.077 610 V CA -0.344 61.896 62.300 -0.099 0.000 1.000 610 V CB 1.160 32.952 31.823 -0.050 0.000 1.066 610 V HN 0.121 nan 8.190 nan 0.000 0.452 611 S N 0.075 115.752 115.700 -0.038 0.000 2.419 611 S HA -0.193 4.294 4.470 0.027 0.000 0.235 611 S C 1.371 175.952 174.600 -0.031 0.000 1.019 611 S CA 1.547 59.734 58.200 -0.022 0.000 0.982 611 S CB -0.658 62.554 63.200 0.021 0.000 0.789 611 S HN 0.889 nan 8.310 nan 0.000 0.490 612 E N 0.724 120.906 120.200 -0.030 0.000 2.204 612 E HA 0.067 4.433 4.350 0.027 0.000 0.195 612 E C 1.052 177.619 176.600 -0.054 0.000 0.990 612 E CA 0.562 56.946 56.400 -0.026 0.000 0.821 612 E CB -0.198 29.497 29.700 -0.008 0.000 0.750 612 E HN 0.341 nan 8.360 nan 0.000 0.477 613 L N -1.013 120.146 121.223 -0.107 0.000 2.741 613 L HA 0.329 4.685 4.340 0.027 0.000 0.237 613 L C 1.254 178.037 176.870 -0.145 0.000 1.178 613 L CA 0.808 55.548 54.840 -0.167 0.000 0.973 613 L CB 0.119 42.021 42.059 -0.261 0.000 1.255 613 L HN 0.227 nan 8.230 nan 0.000 0.498 614 G N 0.063 108.810 108.800 -0.088 0.000 2.176 614 G HA2 -0.376 3.600 3.960 0.027 0.000 0.253 614 G HA3 -0.376 3.600 3.960 0.027 0.000 0.253 614 G C 0.749 175.625 174.900 -0.040 0.000 0.979 614 G CA 0.209 45.279 45.100 -0.050 0.000 0.641 614 G HN 0.449 nan 8.290 nan 0.000 0.530 615 N N -1.730 116.903 118.700 -0.112 0.000 2.727 615 N HA -0.231 4.525 4.740 0.027 0.000 0.251 615 N C 0.874 176.437 175.510 0.090 0.000 1.040 615 N CA 1.161 54.155 53.050 -0.094 0.000 0.712 615 N CB -1.297 37.192 38.487 0.003 0.000 0.912 615 N HN 1.027 nan 8.380 nan 0.000 0.545 616 W N -3.150 118.201 121.300 0.086 0.000 2.612 616 W HA -0.292 4.385 4.660 0.027 0.000 0.266 616 W C 0.486 177.120 176.519 0.192 0.000 1.034 616 W CA 0.423 57.863 57.345 0.159 0.000 0.531 616 W CB -1.172 28.348 29.460 0.100 0.000 2.052 616 W HN 0.383 nan 8.180 nan 0.000 1.427 617 D N 0.281 120.842 120.400 0.269 0.000 2.325 617 D HA 0.172 4.828 4.640 0.027 0.000 0.251 617 D C -0.991 175.365 176.300 0.093 0.000 1.196 617 D CA -1.971 52.134 54.000 0.175 0.000 0.866 617 D CB 1.205 42.058 40.800 0.089 0.000 1.101 617 D HN -0.198 nan 8.370 nan 0.000 0.476 618 P HA -0.076 nan 4.420 nan 0.000 0.219 618 P C 0.284 177.461 177.300 -0.206 0.000 1.146 618 P CA 1.037 64.047 63.100 -0.149 0.000 0.808 618 P CB 0.195 31.785 31.700 -0.184 0.000 0.779 619 N N -1.379 117.253 118.700 -0.113 0.000 2.457 619 N HA -0.046 4.710 4.740 0.027 0.000 0.180 619 N C 0.782 176.241 175.510 -0.084 0.000 1.050 619 N CA 0.463 53.443 53.050 -0.115 0.000 0.906 619 N CB -0.353 38.098 38.487 -0.061 0.000 0.968 619 N HN 0.055 nan 8.380 nan 0.000 0.445 620 N N 0.030 118.696 118.700 -0.056 0.000 2.234 620 N HA 0.241 4.997 4.740 0.027 0.000 0.227 620 N C -0.694 174.799 175.510 -0.029 0.000 1.151 620 N CA -0.147 52.886 53.050 -0.028 0.000 0.865 620 N CB 0.496 38.978 38.487 -0.008 0.000 1.066 620 N HN 0.142 nan 8.380 nan 0.000 0.515 621 A N 0.515 123.296 122.820 -0.066 0.000 2.386 621 A HA 0.326 4.662 4.320 0.027 0.000 0.248 621 A C 0.237 177.871 177.584 0.083 0.000 1.082 621 A CA -0.256 51.763 52.037 -0.030 0.000 0.789 621 A CB 0.282 19.222 19.000 -0.100 0.000 1.025 621 A HN 0.097 nan 8.150 nan 0.000 0.490 622 I N 1.805 122.398 120.570 0.039 0.000 2.452 622 I HA 0.488 4.674 4.170 0.027 0.000 0.287 622 I C 0.983 177.033 176.117 -0.111 0.000 1.079 622 I CA 1.325 62.616 61.300 -0.014 0.000 1.387 622 I CB -0.616 37.334 38.000 -0.084 0.000 1.404 622 I HN 0.940 nan 8.210 nan 0.000 0.522 623 G N 8.641 117.303 108.800 -0.230 0.000 2.356 623 G HA2 0.174 4.150 3.960 0.027 0.000 0.288 623 G HA3 0.174 4.150 3.960 0.027 0.000 0.288 623 G C -3.162 171.523 174.900 -0.360 0.000 1.302 623 G CA -0.802 43.889 45.100 -0.682 0.000 0.887 623 G HN 0.387 nan 8.290 nan 0.000 0.521 624 P HA 0.324 nan 4.420 nan 0.000 0.268 624 P C 0.264 177.187 177.300 -0.627 0.000 1.204 624 P CA 0.065 62.643 63.100 -0.871 0.000 0.768 624 P CB 0.545 32.010 31.700 -0.391 0.000 0.842 625 M N 2.124 121.381 119.600 -0.572 0.000 2.207 625 M HA 0.114 4.610 4.480 0.027 0.000 0.311 625 M C 0.309 176.738 176.300 0.216 0.000 1.127 625 M CA 0.364 55.483 55.300 -0.301 0.000 1.181 625 M CB -0.028 32.552 32.600 -0.034 0.000 1.409 625 M HN 0.276 nan 8.290 nan 0.000 0.461 626 Y N 1.258 121.572 120.300 0.023 0.000 2.354 626 Y HA 0.262 4.828 4.550 0.027 0.000 0.322 626 Y C 0.611 176.370 175.900 -0.235 0.000 1.253 626 Y CA -1.376 56.585 58.100 -0.231 0.000 1.272 626 Y CB 0.590 38.644 38.460 -0.676 0.000 1.255 626 Y HN 0.712 nan 8.280 nan 0.000 0.500 627 N N -1.320 117.367 118.700 -0.021 0.000 2.330 627 N HA 0.081 4.837 4.740 0.027 0.000 0.249 627 N C -0.371 175.113 175.510 -0.043 0.000 1.413 627 N CA -0.059 52.922 53.050 -0.115 0.000 0.817 627 N CB -0.147 37.866 38.487 -0.790 0.000 1.362 627 N HN 0.580 nan 8.380 nan 0.000 0.499 628 Q N -0.457 119.364 119.800 0.034 0.000 2.606 628 Q HA 0.364 4.720 4.340 0.027 0.000 0.215 628 Q C 1.236 177.175 176.000 -0.101 0.000 0.908 628 Q CA 0.603 56.373 55.803 -0.055 0.000 0.908 628 Q CB 0.722 29.400 28.738 -0.101 0.000 1.120 628 Q HN 0.100 nan 8.270 nan 0.000 0.628 629 V N -0.132 119.699 119.914 -0.140 0.000 2.391 629 V HA -0.083 4.053 4.120 0.027 0.000 0.237 629 V C 2.002 177.657 176.094 -0.732 0.000 1.046 629 V CA 1.060 63.111 62.300 -0.415 0.000 1.053 629 V CB -0.215 31.347 31.823 -0.434 0.000 0.704 629 V HN 0.110 nan 8.190 nan 0.000 0.475 630 V N -1.618 117.705 119.914 -0.985 0.000 2.379 630 V HA -0.068 4.068 4.120 0.027 0.000 0.245 630 V C 0.678 176.124 176.094 -1.080 0.000 1.044 630 V CA 1.413 62.982 62.300 -1.218 0.000 1.036 630 V CB -0.498 30.435 31.823 -1.483 0.000 0.664 630 V HN 0.481 nan 8.190 nan 0.000 0.453 631 Y N -1.359 118.497 120.300 -0.741 0.000 2.536 631 Y HA 0.681 5.248 4.550 0.027 0.000 0.347 631 Y C -0.181 175.634 175.900 -0.142 0.000 1.000 631 Y CA -1.154 56.757 58.100 -0.316 0.000 1.051 631 Y CB 1.656 39.998 38.460 -0.197 0.000 1.259 631 Y HN -0.001 nan 8.280 nan 0.000 0.468 632 Q N 0.622 120.457 119.800 0.059 0.000 2.342 632 Q HA 0.299 4.655 4.340 0.027 0.000 0.267 632 Q C -1.421 174.568 176.000 -0.019 0.000 1.038 632 Q CA -1.014 54.792 55.803 0.006 0.000 0.832 632 Q CB 1.495 30.223 28.738 -0.016 0.000 1.323 632 Q HN 0.576 nan 8.270 nan 0.000 0.448 633 Y N 4.257 124.426 120.300 -0.219 0.000 2.969 633 Y HA -0.034 4.532 4.550 0.027 0.000 0.339 633 Y C -1.296 174.536 175.900 -0.113 0.000 1.272 633 Y CA -0.468 57.454 58.100 -0.296 0.000 1.577 633 Y CB 0.710 38.956 38.460 -0.356 0.000 1.234 633 Y HN 0.557 nan 8.280 nan 0.000 0.590 634 P HA 0.081 nan 4.420 nan 0.000 0.253 634 P C -0.716 176.438 177.300 -0.243 0.000 1.459 634 P CA 0.019 62.560 63.100 -0.932 0.000 0.908 634 P CB 0.012 31.185 31.700 -0.877 0.000 1.470 635 T N 0.798 115.265 114.554 -0.145 0.000 2.806 635 T HA 0.314 4.680 4.350 0.027 0.000 0.290 635 T C -0.698 174.029 174.700 0.044 0.000 0.966 635 T CA 0.100 62.213 62.100 0.021 0.000 1.060 635 T CB 0.586 69.470 68.868 0.026 0.000 0.927 635 T HN 0.039 nan 8.240 nan 0.000 0.485 636 W N 3.021 124.339 121.300 0.029 0.000 2.706 636 W HA 0.640 5.316 4.660 0.027 0.000 0.346 636 W C -0.728 175.889 176.519 0.163 0.000 1.071 636 W CA -0.998 56.420 57.345 0.122 0.000 1.206 636 W CB 0.960 30.441 29.460 0.035 0.000 1.413 636 W HN 0.694 nan 8.180 nan 0.000 0.542 637 Y N -0.246 120.237 120.300 0.305 0.000 2.571 637 Y HA 0.788 5.354 4.550 0.027 0.000 0.341 637 Y C -2.015 174.127 175.900 0.405 0.000 1.076 637 Y CA -2.735 55.516 58.100 0.253 0.000 1.029 637 Y CB 1.444 40.019 38.460 0.193 0.000 1.308 637 Y HN 0.556 nan 8.280 nan 0.000 0.461 638 Y N 0.817 121.219 120.300 0.169 0.000 2.558 638 Y HA 0.372 4.939 4.550 0.027 0.000 0.333 638 Y C -1.686 174.363 175.900 0.250 0.000 1.125 638 Y CA -1.087 57.033 58.100 0.033 0.000 1.039 638 Y CB 1.926 40.345 38.460 -0.068 0.000 1.331 638 Y HN 0.763 nan 8.280 nan 0.000 0.456 639 D N 3.845 124.226 120.400 -0.032 0.000 2.329 639 D HA 0.472 5.129 4.640 0.027 0.000 0.232 639 D C -1.106 175.275 176.300 0.134 0.000 1.088 639 D CA 0.053 54.145 54.000 0.154 0.000 0.835 639 D CB 1.939 42.855 40.800 0.193 0.000 1.078 639 D HN 0.174 nan 8.370 nan 0.000 0.495 640 V N 1.321 121.408 119.914 0.287 0.000 2.540 640 V HA 0.302 4.439 4.120 0.027 0.000 0.302 640 V C 0.350 176.584 176.094 0.233 0.000 1.035 640 V CA -0.898 61.558 62.300 0.260 0.000 0.873 640 V CB 2.081 34.059 31.823 0.258 0.000 0.992 640 V HN 0.458 nan 8.190 nan 0.000 0.428 641 S N 3.778 119.574 115.700 0.160 0.000 2.505 641 S HA 0.600 5.087 4.470 0.027 0.000 0.276 641 S C -0.424 174.239 174.600 0.106 0.000 1.274 641 S CA -0.379 57.891 58.200 0.116 0.000 1.053 641 S CB 0.343 63.580 63.200 0.062 0.000 0.919 641 S HN 0.993 nan 8.310 nan 0.000 0.490 642 V N 3.116 123.099 119.914 0.116 0.000 3.078 642 V HA 0.779 4.915 4.120 0.027 0.000 0.311 642 V C -2.801 173.338 176.094 0.075 0.000 1.138 642 V CA -2.813 59.548 62.300 0.100 0.000 1.007 642 V CB 1.649 33.570 31.823 0.164 0.000 1.045 642 V HN 0.676 nan 8.190 nan 0.000 0.432 643 P HA 0.208 nan 4.420 nan 0.000 0.264 643 P C -0.137 177.188 177.300 0.041 0.000 1.193 643 P CA 0.596 63.718 63.100 0.037 0.000 0.763 643 P CB 0.780 32.496 31.700 0.027 0.000 0.810 644 A N 3.123 125.961 122.820 0.031 0.000 2.388 644 A HA 0.518 4.855 4.320 0.027 0.000 0.257 644 A C 1.348 178.936 177.584 0.006 0.000 1.095 644 A CA 0.304 52.355 52.037 0.024 0.000 0.791 644 A CB -0.837 18.177 19.000 0.023 0.000 1.029 644 A HN 0.843 nan 8.150 nan 0.000 0.489 645 G N 0.806 109.599 108.800 -0.013 0.000 2.198 645 G HA2 -0.117 3.859 3.960 0.027 0.000 0.257 645 G HA3 -0.117 3.859 3.960 0.027 0.000 0.257 645 G C -0.129 174.754 174.900 -0.029 0.000 1.042 645 G CA 0.631 45.714 45.100 -0.027 0.000 0.791 645 G HN 1.706 nan 8.290 nan 0.000 0.502 646 Q N -1.588 118.192 119.800 -0.033 0.000 2.511 646 Q HA 0.707 5.063 4.340 0.027 0.000 0.289 646 Q C -0.741 175.246 176.000 -0.021 0.000 1.021 646 Q CA -0.871 54.921 55.803 -0.018 0.000 0.785 646 Q CB 0.938 29.681 28.738 0.008 0.000 1.472 646 Q HN 0.117 nan 8.270 nan 0.000 0.411 647 T N 2.599 117.156 114.554 0.006 0.000 2.749 647 T HA 0.478 4.845 4.350 0.027 0.000 0.295 647 T C 0.208 174.968 174.700 0.100 0.000 0.936 647 T CA -0.430 61.696 62.100 0.043 0.000 1.060 647 T CB -0.338 68.558 68.868 0.047 0.000 0.904 647 T HN 0.476 nan 8.240 nan 0.000 0.500 648 I N 0.157 120.829 120.570 0.171 0.000 2.607 648 I HA 0.723 4.910 4.170 0.027 0.000 0.305 648 I C -0.145 176.169 176.117 0.327 0.000 0.995 648 I CA -1.080 60.340 61.300 0.200 0.000 1.148 648 I CB 1.726 39.840 38.000 0.190 0.000 1.323 648 I HN 0.363 nan 8.210 nan 0.000 0.461 649 E N 3.553 123.912 120.200 0.266 0.000 2.195 649 E HA 0.669 5.035 4.350 0.027 0.000 0.271 649 E C -1.511 175.261 176.600 0.288 0.000 0.923 649 E CA -0.638 55.961 56.400 0.331 0.000 0.790 649 E CB 2.314 32.243 29.700 0.381 0.000 1.155 649 E HN 0.584 nan 8.360 nan 0.000 0.402 650 F N -0.101 119.930 119.950 0.136 0.000 2.711 650 F HA 0.687 5.230 4.527 0.027 0.000 0.313 650 F C -1.194 174.717 175.800 0.185 0.000 1.141 650 F CA -1.052 56.939 58.000 -0.016 0.000 0.941 650 F CB 1.555 40.456 39.000 -0.166 0.000 1.349 650 F HN 0.123 nan 8.300 nan 0.000 0.464 651 K N 0.765 121.297 120.400 0.220 0.000 2.555 651 K HA 0.593 4.929 4.320 0.027 0.000 0.279 651 K C -2.098 174.473 176.600 -0.049 0.000 0.986 651 K CA -0.777 55.598 56.287 0.148 0.000 0.880 651 K CB 2.800 35.566 32.500 0.443 0.000 1.474 651 K HN 0.609 nan 8.250 nan 0.000 0.433 652 F N 2.031 122.056 119.950 0.125 0.000 2.483 652 F HA 0.593 5.137 4.527 0.027 0.000 0.329 652 F C 0.062 175.912 175.800 0.084 0.000 1.064 652 F CA -0.885 57.174 58.000 0.099 0.000 0.986 652 F CB 1.194 40.260 39.000 0.110 0.000 1.218 652 F HN 0.256 nan 8.300 nan 0.000 0.484 653 L N -0.711 120.670 121.223 0.265 0.000 2.415 653 L HA 0.722 5.078 4.340 0.027 0.000 0.256 653 L C -1.557 175.432 176.870 0.198 0.000 1.010 653 L CA -1.172 53.721 54.840 0.089 0.000 0.826 653 L CB 2.353 44.051 42.059 -0.601 0.000 1.405 653 L HN 0.451 nan 8.230 nan 0.000 0.410 654 K N 1.415 121.883 120.400 0.113 0.000 2.203 654 K HA 0.665 5.002 4.320 0.027 0.000 0.251 654 K C -1.246 175.342 176.600 -0.019 0.000 0.944 654 K CA -0.872 55.426 56.287 0.018 0.000 0.829 654 K CB 2.407 34.831 32.500 -0.127 0.000 1.125 654 K HN 0.539 nan 8.250 nan 0.000 0.430 655 K N 1.733 122.161 120.400 0.046 0.000 2.427 655 K HA 0.210 4.547 4.320 0.027 0.000 0.252 655 K C -1.276 175.335 176.600 0.019 0.000 0.931 655 K CA -0.659 55.585 56.287 -0.072 0.000 0.793 655 K CB 2.370 34.668 32.500 -0.336 0.000 1.211 655 K HN 0.418 nan 8.250 nan 0.000 0.426 656 Q N 2.026 121.817 119.800 -0.015 0.000 2.533 656 Q HA 0.300 4.657 4.340 0.027 0.000 0.251 656 Q C 0.162 176.157 176.000 -0.009 0.000 0.966 656 Q CA 0.095 55.905 55.803 0.011 0.000 0.714 656 Q CB 1.207 29.953 28.738 0.012 0.000 1.284 656 Q HN 0.878 nan 8.270 nan 0.000 0.478 657 G N 2.100 110.896 108.800 -0.007 0.000 2.601 657 G HA2 -0.383 3.593 3.960 0.027 0.000 0.306 657 G HA3 -0.383 3.593 3.960 0.027 0.000 0.306 657 G C 0.574 175.447 174.900 -0.045 0.000 1.172 657 G CA 0.632 45.722 45.100 -0.016 0.000 0.966 657 G HN 0.592 nan 8.290 nan 0.000 0.542 658 S N -0.037 115.642 115.700 -0.035 0.000 2.511 658 S HA 0.361 4.847 4.470 0.027 0.000 0.214 658 S C 0.937 175.513 174.600 -0.041 0.000 0.997 658 S CA 1.150 59.325 58.200 -0.041 0.000 0.908 658 S CB 0.649 63.836 63.200 -0.022 0.000 0.803 658 S HN 0.943 nan 8.310 nan 0.000 0.504 659 T N 2.892 117.427 114.554 -0.032 0.000 2.761 659 T HA 0.420 4.786 4.350 0.027 0.000 0.296 659 T C -0.537 174.129 174.700 -0.056 0.000 0.934 659 T CA -0.083 62.004 62.100 -0.022 0.000 1.091 659 T CB 0.255 69.121 68.868 -0.003 0.000 0.896 659 T HN -0.087 nan 8.240 nan 0.000 0.515 660 V N 6.108 125.985 119.914 -0.061 0.000 2.398 660 V HA 0.445 4.581 4.120 0.027 0.000 0.286 660 V C 0.312 176.367 176.094 -0.066 0.000 1.026 660 V CA -0.647 61.566 62.300 -0.146 0.000 0.868 660 V CB 1.892 33.594 31.823 -0.202 0.000 0.982 660 V HN 1.000 nan 8.190 nan 0.000 0.443 661 T N 4.309 118.820 114.554 -0.070 0.000 2.809 661 T HA 0.418 4.784 4.350 0.027 0.000 0.296 661 T C -0.648 174.156 174.700 0.172 0.000 1.015 661 T CA -0.341 61.815 62.100 0.094 0.000 0.954 661 T CB 0.482 69.403 68.868 0.088 0.000 0.950 661 T HN 0.544 nan 8.240 nan 0.000 0.450 662 W N 1.604 123.012 121.300 0.180 0.000 2.253 662 W HA 0.420 5.096 4.660 0.027 0.000 0.348 662 W C 0.830 177.450 176.519 0.169 0.000 1.229 662 W CA -0.953 56.489 57.345 0.163 0.000 1.335 662 W CB 0.497 29.983 29.460 0.044 0.000 1.165 662 W HN 0.535 nan 8.180 nan 0.000 0.631 663 E N 0.438 120.751 120.200 0.188 0.000 2.366 663 E HA 0.323 4.690 4.350 0.027 0.000 0.266 663 E C 0.503 177.072 176.600 -0.051 0.000 1.051 663 E CA -0.221 56.010 56.400 -0.282 0.000 0.884 663 E CB 0.708 30.050 29.700 -0.596 0.000 1.006 663 E HN 0.571 nan 8.360 nan 0.000 0.417 664 G N 0.302 109.050 108.800 -0.086 0.000 2.547 664 G HA2 0.577 4.553 3.960 0.027 0.000 0.291 664 G HA3 0.577 4.553 3.960 0.027 0.000 0.291 664 G C 0.075 174.910 174.900 -0.107 0.000 1.211 664 G CA 0.145 45.210 45.100 -0.058 0.000 0.950 664 G HN 0.728 nan 8.290 nan 0.000 0.504 665 G N -1.791 106.954 108.800 -0.092 0.000 2.498 665 G HA2 0.454 4.431 3.960 0.027 0.000 0.651 665 G HA3 0.454 4.431 3.960 0.027 0.000 0.651 665 G C 0.013 174.845 174.900 -0.113 0.000 1.284 665 G CA -0.036 45.008 45.100 -0.093 0.000 0.950 665 G HN 1.929 nan 8.290 nan 0.000 0.511 666 A N -0.029 122.732 122.820 -0.098 0.000 2.304 666 A HA 0.672 5.008 4.320 0.027 0.000 0.271 666 A C 0.720 178.237 177.584 -0.110 0.000 1.091 666 A CA -0.167 51.807 52.037 -0.105 0.000 0.812 666 A CB 0.169 19.126 19.000 -0.072 0.000 1.056 666 A HN 0.965 nan 8.150 nan 0.000 0.489 667 N N 0.988 119.624 118.700 -0.106 0.000 2.441 667 N HA 0.080 4.836 4.740 0.027 0.000 0.251 667 N C -0.083 175.364 175.510 -0.104 0.000 1.242 667 N CA 0.362 53.374 53.050 -0.063 0.000 0.898 667 N CB 0.356 38.887 38.487 0.073 0.000 1.100 667 N HN 0.542 nan 8.380 nan 0.000 0.443 668 R N 0.223 120.549 120.500 -0.290 0.000 2.490 668 R HA 0.289 4.646 4.340 0.027 0.000 0.278 668 R C 0.264 176.419 176.300 -0.242 0.000 1.069 668 R CA -0.246 55.580 56.100 -0.456 0.000 1.080 668 R CB 0.526 30.156 30.300 -1.118 0.000 1.030 668 R HN 0.608 nan 8.270 nan 0.000 0.491 669 T N -0.898 113.691 114.554 0.059 0.000 2.912 669 T HA 0.660 5.026 4.350 0.027 0.000 0.288 669 T C -0.827 174.198 174.700 0.542 0.000 1.030 669 T CA -0.746 61.532 62.100 0.295 0.000 1.020 669 T CB 1.449 70.428 68.868 0.186 0.000 1.056 669 T HN 0.446 nan 8.240 nan 0.000 0.480 670 F N 0.650 120.817 119.950 0.361 0.000 2.615 670 F HA 0.538 5.081 4.527 0.027 0.000 0.312 670 F C -1.081 174.809 175.800 0.151 0.000 1.119 670 F CA -0.659 57.497 58.000 0.261 0.000 0.979 670 F CB 2.026 41.188 39.000 0.269 0.000 1.266 670 F HN 0.713 nan 8.300 nan 0.000 0.444 671 T N 3.893 118.127 114.554 -0.533 0.000 2.738 671 T HA 0.376 4.743 4.350 0.027 0.000 0.298 671 T C -0.010 174.166 174.700 -0.873 0.000 0.962 671 T CA -0.402 61.421 62.100 -0.462 0.000 0.972 671 T CB 0.456 69.168 68.868 -0.261 0.000 0.928 671 T HN 0.735 nan 8.240 nan 0.000 0.474 672 T N 3.200 117.447 114.554 -0.511 0.000 2.926 672 T HA 0.290 4.657 4.350 0.027 0.000 0.307 672 T C -2.238 172.346 174.700 -0.193 0.000 1.059 672 T CA -1.569 60.344 62.100 -0.313 0.000 1.122 672 T CB 0.153 69.020 68.868 -0.001 0.000 0.972 672 T HN 0.244 nan 8.240 nan 0.000 0.545 673 P HA 0.073 nan 4.420 nan 0.000 0.269 673 P C 1.105 178.403 177.300 -0.003 0.000 1.217 673 P CA -0.225 62.861 63.100 -0.024 0.000 0.783 673 P CB 0.434 32.157 31.700 0.039 0.000 0.898 674 T N -2.658 111.897 114.554 0.000 0.000 3.067 674 T HA 0.108 4.474 4.350 0.027 0.000 0.261 674 T C 0.791 175.506 174.700 0.025 0.000 1.110 674 T CA 0.267 62.372 62.100 0.008 0.000 1.113 674 T CB -0.078 68.792 68.868 0.004 0.000 0.917 674 T HN 0.447 nan 8.240 nan 0.000 0.499 675 S N -1.188 114.534 115.700 0.037 0.000 2.547 675 S HA 0.593 5.079 4.470 0.027 0.000 0.270 675 S C 0.029 174.672 174.600 0.073 0.000 1.150 675 S CA 0.169 58.400 58.200 0.052 0.000 0.850 675 S CB 1.079 64.304 63.200 0.042 0.000 1.118 675 S HN 1.263 nan 8.310 nan 0.000 0.461 676 G N 1.942 110.802 108.800 0.099 0.000 2.632 676 G HA2 -0.050 3.926 3.960 0.027 0.000 0.224 676 G HA3 -0.050 3.926 3.960 0.027 0.000 0.224 676 G C -0.086 174.896 174.900 0.136 0.000 1.341 676 G CA 0.172 45.342 45.100 0.117 0.000 0.880 676 G HN 1.747 nan 8.290 nan 0.000 0.566 677 T N -2.326 112.307 114.554 0.133 0.000 2.927 677 T HA 1.042 5.409 4.350 0.027 0.000 0.286 677 T C 0.089 174.865 174.700 0.126 0.000 1.040 677 T CA 0.501 62.688 62.100 0.144 0.000 1.010 677 T CB 1.874 70.834 68.868 0.153 0.000 1.177 677 T HN 2.630 nan 8.240 nan 0.000 0.546 678 A N 0.194 123.084 122.820 0.117 0.000 2.612 678 A HA 0.745 5.081 4.320 0.027 0.000 0.293 678 A C -0.682 176.893 177.584 -0.013 0.000 1.075 678 A CA -0.926 51.178 52.037 0.112 0.000 0.680 678 A CB 1.373 20.545 19.000 0.286 0.000 1.279 678 A HN 0.919 nan 8.150 nan 0.000 0.411 679 T N 0.698 115.212 114.554 -0.067 0.000 2.861 679 T HA 0.586 4.953 4.350 0.027 0.000 0.287 679 T C -1.056 173.459 174.700 -0.309 0.000 1.003 679 T CA -0.390 61.621 62.100 -0.148 0.000 0.977 679 T CB 1.531 70.395 68.868 -0.006 0.000 0.996 679 T HN 0.720 nan 8.240 nan 0.000 0.448 680 V N 4.183 123.823 119.914 -0.458 0.000 2.357 680 V HA 0.472 4.608 4.120 0.027 0.000 0.284 680 V C -0.168 175.844 176.094 -0.137 0.000 1.018 680 V CA -0.895 61.145 62.300 -0.433 0.000 0.841 680 V CB 1.324 32.724 31.823 -0.706 0.000 0.991 680 V HN 0.755 nan 8.190 nan 0.000 0.437 681 N N 4.002 122.670 118.700 -0.054 0.000 2.417 681 N HA 0.641 5.397 4.740 0.027 0.000 0.274 681 N C -1.349 174.172 175.510 0.018 0.000 0.987 681 N CA 0.003 53.033 53.050 -0.033 0.000 0.912 681 N CB 2.097 40.568 38.487 -0.027 0.000 1.177 681 N HN 0.440 nan 8.380 nan 0.000 0.490 682 V N 3.049 122.975 119.914 0.020 0.000 3.159 682 V HA 0.456 4.593 4.120 0.027 0.000 0.308 682 V C -0.889 175.197 176.094 -0.014 0.000 1.190 682 V CA -0.862 61.465 62.300 0.046 0.000 1.037 682 V CB 2.568 34.501 31.823 0.184 0.000 1.060 682 V HN 0.634 nan 8.190 nan 0.000 0.437 683 N N 2.002 120.706 118.700 0.008 0.000 2.430 683 N HA 0.315 5.071 4.740 0.027 0.000 0.292 683 N C -0.856 174.677 175.510 0.039 0.000 1.051 683 N CA -0.432 52.633 53.050 0.026 0.000 0.917 683 N CB 1.277 39.787 38.487 0.040 0.000 1.164 683 N HN 0.728 nan 8.380 nan 0.000 0.484 684 W N 2.636 123.894 121.300 -0.069 0.000 2.223 684 W HA 0.038 4.714 4.660 0.027 0.000 0.334 684 W C -0.683 175.839 176.519 0.005 0.000 1.334 684 W CA 0.325 57.645 57.345 -0.041 0.000 1.246 684 W CB 0.569 30.000 29.460 -0.048 0.000 1.184 684 W HN 0.288 nan 8.180 nan 0.000 0.563 685 Q N 6.733 126.225 119.800 -0.515 0.000 2.347 685 Q HA 0.330 4.686 4.340 0.027 0.000 0.262 685 Q C -1.987 173.857 176.000 -0.259 0.000 0.980 685 Q CA -1.813 53.830 55.803 -0.266 0.000 0.867 685 Q CB 1.747 30.339 28.738 -0.244 0.000 1.242 685 Q HN 0.217 nan 8.270 nan 0.000 0.453 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.255 63.100 0.258 0.000 0.800 686 P CB 0.000 31.831 31.700 0.219 0.000 0.726