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_A 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 0.000 177.563 177.584 -0.035 0.000 1.274 1 A CA 0.000 52.018 52.037 -0.032 0.000 0.836 1 A CB 0.000 18.971 19.000 -0.048 0.000 0.831 2 P HA 0.229 nan 4.420 nan 0.000 0.276 2 P C -0.001 177.266 177.300 -0.054 0.000 1.252 2 P CA 0.209 63.282 63.100 -0.044 0.000 0.802 2 P CB 0.641 32.313 31.700 -0.047 0.000 1.035 3 D N 0.116 120.489 120.400 -0.045 0.000 2.190 3 D HA -0.168 4.472 4.640 -0.000 0.000 0.200 3 D C 1.107 177.361 176.300 -0.077 0.000 0.992 3 D CA 2.135 56.112 54.000 -0.038 0.000 0.854 3 D CB -1.470 39.340 40.800 0.018 0.000 0.936 3 D HN 0.446 nan 8.370 nan 0.000 0.462 4 T N -2.527 111.971 114.554 -0.093 0.000 3.148 4 T HA 0.056 4.406 4.350 -0.000 0.000 0.253 4 T C 1.071 175.686 174.700 -0.142 0.000 1.134 4 T CA -0.045 61.977 62.100 -0.130 0.000 1.051 4 T CB -0.200 68.598 68.868 -0.117 0.000 0.959 4 T HN 0.142 nan 8.240 nan 0.000 0.525 5 S N 0.442 116.067 115.700 -0.126 0.000 2.568 5 S HA 0.155 4.625 4.470 -0.000 0.000 0.282 5 S C 1.429 175.924 174.600 -0.175 0.000 1.338 5 S CA -0.402 57.719 58.200 -0.130 0.000 1.045 5 S CB 1.125 64.260 63.200 -0.107 0.000 0.873 5 S HN 0.211 nan 8.310 nan 0.000 0.516 6 V N 4.242 124.051 119.914 -0.175 0.000 2.759 6 V HA -0.060 4.059 4.120 -0.000 0.000 0.256 6 V C 2.036 177.977 176.094 -0.255 0.000 1.080 6 V CA 2.366 64.533 62.300 -0.222 0.000 1.101 6 V CB -0.688 31.021 31.823 -0.191 0.000 0.698 6 V HN 1.004 nan 8.190 nan 0.000 0.477 7 S N -0.818 114.760 115.700 -0.203 0.000 2.603 7 S HA -0.018 4.452 4.470 -0.000 0.000 0.220 7 S C 1.011 175.531 174.600 -0.134 0.000 0.967 7 S CA 0.380 58.470 58.200 -0.183 0.000 0.920 7 S CB -0.973 62.145 63.200 -0.136 0.000 0.773 7 S HN 0.768 nan 8.310 nan 0.000 0.529 8 N N 1.551 120.162 118.700 -0.148 0.000 2.605 8 N HA 0.148 4.888 4.740 -0.000 0.000 0.258 8 N C 0.658 176.110 175.510 -0.097 0.000 1.156 8 N CA -0.299 52.683 53.050 -0.113 0.000 1.008 8 N CB 0.146 38.553 38.487 -0.134 0.000 1.354 8 N HN 0.304 nan 8.380 nan 0.000 0.509 9 K N 1.411 121.815 120.400 0.006 0.000 2.432 9 K HA -0.065 4.255 4.320 -0.000 0.000 0.196 9 K C 1.228 178.007 176.600 0.298 0.000 1.038 9 K CA 0.706 57.094 56.287 0.168 0.000 0.986 9 K CB 0.319 32.906 32.500 0.145 0.000 0.782 9 K HN 0.493 nan 8.250 nan 0.000 0.485 10 Q N 0.204 120.111 119.800 0.179 0.000 2.212 10 Q HA 0.078 4.418 4.340 -0.000 0.000 0.199 10 Q C -0.134 176.015 176.000 0.248 0.000 0.950 10 Q CA 0.780 56.706 55.803 0.206 0.000 0.863 10 Q CB 0.414 29.218 28.738 0.109 0.000 0.944 10 Q HN 0.132 nan 8.270 nan 0.000 0.465 11 N N -0.886 117.907 118.700 0.155 0.000 2.249 11 N HA 0.242 4.982 4.740 -0.000 0.000 0.296 11 N C -1.104 174.383 175.510 -0.038 0.000 1.051 11 N CA -0.341 52.735 53.050 0.043 0.000 0.815 11 N CB 1.268 39.764 38.487 0.015 0.000 1.487 11 N HN -0.040 nan 8.380 nan 0.000 0.475 12 F N 0.293 119.869 119.950 -0.623 0.000 2.683 12 F HA 0.165 4.692 4.527 -0.000 0.000 0.306 12 F C 1.764 177.278 175.800 -0.476 0.000 1.102 12 F CA -0.198 57.432 58.000 -0.617 0.000 1.244 12 F CB 0.243 38.634 39.000 -1.016 0.000 1.029 12 F HN 0.341 nan 8.300 nan 0.000 0.545 13 S N -1.094 114.461 115.700 -0.241 0.000 2.442 13 S HA -0.176 4.294 4.470 -0.000 0.000 0.236 13 S C 2.048 176.435 174.600 -0.356 0.000 1.007 13 S CA 1.589 59.623 58.200 -0.277 0.000 0.965 13 S CB -0.837 62.209 63.200 -0.257 0.000 0.773 13 S HN 0.507 nan 8.310 nan 0.000 0.504 14 T N -0.528 113.811 114.554 -0.359 0.000 3.129 14 T HA 0.125 4.474 4.350 -0.000 0.000 0.251 14 T C 0.038 174.582 174.700 -0.261 0.000 1.117 14 T CA -0.160 61.731 62.100 -0.348 0.000 1.034 14 T CB -0.154 68.523 68.868 -0.318 0.000 0.968 14 T HN 0.138 nan 8.240 nan 0.000 0.526 15 D N 0.838 121.096 120.400 -0.236 0.000 2.272 15 D HA 0.528 5.168 4.640 -0.000 0.000 0.247 15 D C -0.827 175.413 176.300 -0.100 0.000 0.990 15 D CA -0.466 53.428 54.000 -0.176 0.000 0.931 15 D CB 2.549 43.229 40.800 -0.201 0.000 1.195 15 D HN 0.032 nan 8.370 nan 0.000 0.477 16 V N 1.999 121.884 119.914 -0.047 0.000 2.444 16 V HA 0.352 4.472 4.120 -0.000 0.000 0.294 16 V C 0.228 176.380 176.094 0.096 0.000 1.022 16 V CA -0.716 61.586 62.300 0.003 0.000 0.850 16 V CB 1.588 33.398 31.823 -0.022 0.000 0.992 16 V HN 0.367 nan 8.190 nan 0.000 0.426 17 I N 4.572 125.244 120.570 0.171 0.000 2.396 17 I HA 0.343 4.513 4.170 -0.000 0.000 0.292 17 I C -0.840 175.480 176.117 0.338 0.000 0.999 17 I CA -0.458 61.020 61.300 0.296 0.000 1.310 17 I CB 0.972 39.191 38.000 0.366 0.000 1.404 17 I HN 0.623 nan 8.210 nan 0.000 0.496 18 Y N 6.222 126.640 120.300 0.196 0.000 2.334 18 Y HA 0.270 4.820 4.550 -0.000 0.000 0.336 18 Y C -0.065 175.933 175.900 0.163 0.000 0.960 18 Y CA -0.532 57.658 58.100 0.150 0.000 1.164 18 Y CB 1.042 39.547 38.460 0.075 0.000 1.155 18 Y HN 0.502 nan 8.280 nan 0.000 0.478 19 Q N 7.162 126.890 119.800 -0.120 0.000 2.322 19 Q HA 0.440 4.780 4.340 -0.000 0.000 0.256 19 Q C -1.430 174.413 176.000 -0.262 0.000 0.960 19 Q CA -0.361 55.303 55.803 -0.232 0.000 0.934 19 Q CB 0.662 29.137 28.738 -0.439 0.000 1.200 19 Q HN 0.791 nan 8.270 nan 0.000 0.435 20 I N 4.274 124.674 120.570 -0.284 0.000 2.378 20 I HA 0.249 4.419 4.170 -0.000 0.000 0.291 20 I C -0.664 175.240 176.117 -0.355 0.000 0.992 20 I CA -0.743 60.335 61.300 -0.370 0.000 1.154 20 I CB 1.192 38.961 38.000 -0.384 0.000 1.315 20 I HN 0.630 nan 8.210 nan 0.000 0.448 21 F N 5.063 124.607 119.950 -0.676 0.000 2.404 21 F HA 0.094 4.620 4.527 -0.000 0.000 0.359 21 F C 1.727 177.297 175.800 -0.384 0.000 1.134 21 F CA 0.051 57.800 58.000 -0.419 0.000 1.160 21 F CB 1.004 39.845 39.000 -0.266 0.000 1.186 21 F HN 0.557 nan 8.300 nan 0.000 0.526 22 T N 1.357 115.691 114.554 -0.366 0.000 2.737 22 T HA -0.295 4.055 4.350 -0.000 0.000 0.269 22 T C 1.607 176.226 174.700 -0.136 0.000 1.040 22 T CA 1.935 63.840 62.100 -0.324 0.000 1.142 22 T CB -0.213 68.197 68.868 -0.764 0.000 0.861 22 T HN 0.604 nan 8.240 nan 0.000 0.456 23 D N 0.291 120.671 120.400 -0.033 0.000 2.264 23 D HA -0.056 4.584 4.640 -0.000 0.000 0.208 23 D C 1.922 178.306 176.300 0.141 0.000 0.966 23 D CA 0.638 54.739 54.000 0.168 0.000 0.864 23 D CB 0.193 41.181 40.800 0.314 0.000 0.933 23 D HN 0.078 nan 8.370 nan 0.000 0.499 24 R N -0.781 119.774 120.500 0.092 0.000 2.432 24 R HA 0.136 4.475 4.340 -0.000 0.000 0.260 24 R C 0.553 176.918 176.300 0.108 0.000 0.935 24 R CA -0.155 55.990 56.100 0.075 0.000 1.080 24 R CB -0.147 30.203 30.300 0.082 0.000 1.155 24 R HN 0.267 nan 8.270 nan 0.000 0.531 25 F N 0.205 120.122 119.950 -0.055 0.000 2.403 25 F HA 0.327 4.853 4.527 -0.000 0.000 0.263 25 F C 0.271 176.198 175.800 0.213 0.000 1.020 25 F CA 0.149 58.190 58.000 0.067 0.000 1.091 25 F CB 0.261 39.280 39.000 0.032 0.000 1.141 25 F HN -0.215 nan 8.300 nan 0.000 0.633 26 S N 0.024 115.819 115.700 0.158 0.000 2.575 26 S HA 0.253 4.723 4.470 -0.000 0.000 0.278 26 S C -1.745 172.910 174.600 0.092 0.000 1.139 26 S CA -0.759 57.464 58.200 0.039 0.000 0.954 26 S CB 0.925 64.026 63.200 -0.165 0.000 1.054 26 S HN 0.274 nan 8.310 nan 0.000 0.483 27 D N 3.568 124.015 120.400 0.078 0.000 2.470 27 D HA 0.345 4.985 4.640 -0.000 0.000 0.226 27 D C 1.215 177.545 176.300 0.049 0.000 1.196 27 D CA 0.041 54.092 54.000 0.085 0.000 0.979 27 D CB 0.348 41.214 40.800 0.111 0.000 1.059 27 D HN 0.708 nan 8.370 nan 0.000 0.515 28 G N 3.050 111.880 108.800 0.050 0.000 2.712 28 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.212 28 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.212 28 G C 0.678 175.597 174.900 0.032 0.000 1.142 28 G CA -0.226 44.893 45.100 0.032 0.000 0.789 28 G HN 0.450 nan 8.290 nan 0.000 0.535 29 N N -0.367 118.353 118.700 0.034 0.000 2.607 29 N HA 0.333 5.073 4.740 -0.000 0.000 0.271 29 N C -2.378 173.129 175.510 -0.006 0.000 1.142 29 N CA -1.882 51.178 53.050 0.017 0.000 0.810 29 N CB 2.258 40.761 38.487 0.026 0.000 1.306 29 N HN -0.234 nan 8.380 nan 0.000 0.536 30 P HA 0.045 nan 4.420 nan 0.000 0.223 30 P C 0.870 178.110 177.300 -0.101 0.000 1.151 30 P CA 0.673 63.742 63.100 -0.052 0.000 0.787 30 P CB 0.351 32.033 31.700 -0.030 0.000 0.788 31 A N 1.090 123.866 122.820 -0.074 0.000 2.067 31 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 31 A C 1.760 179.278 177.584 -0.109 0.000 1.158 31 A CA 1.707 53.693 52.037 -0.086 0.000 0.661 31 A CB -1.332 17.636 19.000 -0.053 0.000 0.801 31 A HN 0.299 nan 8.150 nan 0.000 0.452 32 N N -0.210 118.428 118.700 -0.103 0.000 2.322 32 N HA 0.016 4.756 4.740 -0.000 0.000 0.194 32 N C -0.641 174.756 175.510 -0.188 0.000 1.126 32 N CA -0.254 52.723 53.050 -0.121 0.000 0.845 32 N CB -0.640 37.798 38.487 -0.081 0.000 0.976 32 N HN 0.164 nan 8.380 nan 0.000 0.475 33 N N 2.335 120.884 118.700 -0.251 0.000 2.497 33 N HA 0.231 4.971 4.740 -0.000 0.000 0.268 33 N C -2.330 172.909 175.510 -0.452 0.000 1.171 33 N CA -1.186 51.626 53.050 -0.397 0.000 0.948 33 N CB 0.250 38.329 38.487 -0.681 0.000 1.069 33 N HN 0.191 nan 8.380 nan 0.000 0.460 34 P HA -0.024 nan 4.420 nan 0.000 0.267 34 P C -0.187 176.954 177.300 -0.265 0.000 1.195 34 P CA 0.189 63.109 63.100 -0.301 0.000 0.773 34 P CB 0.380 31.883 31.700 -0.330 0.000 0.837 35 T N -1.449 113.025 114.554 -0.132 0.000 2.949 35 T HA 0.678 5.028 4.350 -0.000 0.000 0.287 35 T C 0.633 175.361 174.700 0.046 0.000 1.034 35 T CA -0.097 61.958 62.100 -0.075 0.000 1.018 35 T CB 1.475 70.283 68.868 -0.100 0.000 1.135 35 T HN 0.741 nan 8.240 nan 0.000 0.532 36 G N 1.070 109.915 108.800 0.075 0.000 2.556 36 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.283 36 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.283 36 G C 1.194 176.166 174.900 0.120 0.000 1.177 36 G CA 0.640 45.790 45.100 0.082 0.000 0.978 36 G HN 1.753 nan 8.290 nan 0.000 0.554 37 A N -0.221 122.654 122.820 0.091 0.000 2.125 37 A HA 0.409 4.729 4.320 -0.000 0.000 0.219 37 A C 2.716 180.376 177.584 0.127 0.000 1.156 37 A CA 2.786 54.878 52.037 0.091 0.000 0.671 37 A CB -0.673 18.367 19.000 0.067 0.000 0.794 37 A HN 2.235 nan 8.150 nan 0.000 0.459 38 A N -2.151 120.771 122.820 0.170 0.000 2.208 38 A HA 0.450 4.770 4.320 -0.000 0.000 0.209 38 A C 0.343 178.135 177.584 0.346 0.000 1.161 38 A CA 0.173 52.359 52.037 0.247 0.000 0.782 38 A CB -0.215 18.928 19.000 0.240 0.000 0.816 38 A HN 0.488 nan 8.150 nan 0.000 0.477 39 F N -0.349 119.660 119.950 0.098 0.000 2.540 39 F HA 0.586 5.112 4.527 -0.000 0.000 0.317 39 F C -1.547 174.288 175.800 0.057 0.000 1.104 39 F CA -1.648 56.405 58.000 0.088 0.000 0.913 39 F CB 1.897 40.920 39.000 0.038 0.000 1.170 39 F HN -0.020 nan 8.300 nan 0.000 0.450 40 D N 3.275 123.194 120.400 -0.801 0.000 2.358 40 D HA 0.293 4.933 4.640 -0.000 0.000 0.253 40 D C 0.852 176.574 176.300 -0.963 0.000 1.288 40 D CA -0.060 53.553 54.000 -0.646 0.000 0.950 40 D CB 1.285 41.901 40.800 -0.308 0.000 1.197 40 D HN 0.693 nan 8.370 nan 0.000 0.550 41 G N 1.611 109.840 108.800 -0.951 0.000 2.448 41 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.219 41 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.219 41 G C 1.330 176.108 174.900 -0.204 0.000 1.127 41 G CA 1.106 45.936 45.100 -0.450 0.000 0.766 41 G HN 0.527 nan 8.290 nan 0.000 0.552 42 S N -1.529 114.068 115.700 -0.171 0.000 2.522 42 S HA -0.002 4.468 4.470 -0.000 0.000 0.227 42 S C 1.320 175.851 174.600 -0.116 0.000 0.986 42 S CA 0.560 58.699 58.200 -0.102 0.000 0.929 42 S CB -0.639 62.517 63.200 -0.072 0.000 0.769 42 S HN 0.802 nan 8.310 nan 0.000 0.529 43 c N 2.446 120.941 118.600 -0.175 0.000 4.114 43 c HA -0.176 4.393 4.570 -0.000 0.000 0.300 43 c C 1.700 175.719 174.090 -0.119 0.000 1.423 43 c CA 1.071 57.304 56.329 -0.160 0.000 2.034 43 c CB -2.852 39.586 42.510 -0.121 0.000 1.299 43 c HN 0.895 nan 8.230 nan 0.000 0.727 44 T N -3.095 111.395 114.554 -0.108 0.000 3.037 44 T HA 0.069 4.419 4.350 -0.000 0.000 0.252 44 T C 0.555 175.207 174.700 -0.080 0.000 1.073 44 T CA 0.826 62.879 62.100 -0.078 0.000 1.091 44 T CB -0.136 68.697 68.868 -0.059 0.000 0.935 44 T HN 0.673 nan 8.240 nan 0.000 0.488 45 N N 1.775 120.417 118.700 -0.097 0.000 2.558 45 N HA 0.240 4.980 4.740 -0.000 0.000 0.233 45 N C 0.395 175.822 175.510 -0.138 0.000 1.038 45 N CA -0.438 52.561 53.050 -0.085 0.000 0.934 45 N CB 0.584 39.033 38.487 -0.064 0.000 1.175 45 N HN 0.326 nan 8.380 nan 0.000 0.512 46 L N 2.759 123.897 121.223 -0.142 0.000 2.711 46 L HA 0.075 4.415 4.340 -0.000 0.000 0.242 46 L C 1.536 178.191 176.870 -0.359 0.000 1.153 46 L CA 0.408 55.106 54.840 -0.238 0.000 0.898 46 L CB -0.034 41.929 42.059 -0.159 0.000 1.044 46 L HN 0.332 nan 8.230 nan 0.000 0.437 47 R N -1.121 119.252 120.500 -0.212 0.000 2.397 47 R HA 0.217 4.557 4.340 -0.000 0.000 0.241 47 R C -0.264 175.981 176.300 -0.093 0.000 0.914 47 R CA -0.273 55.770 56.100 -0.094 0.000 1.071 47 R CB 0.586 30.940 30.300 0.091 0.000 1.116 47 R HN 0.085 nan 8.270 nan 0.000 0.524 48 L N -0.498 120.610 121.223 -0.191 0.000 2.331 48 L HA 0.318 4.657 4.340 -0.000 0.000 0.268 48 L C -0.336 176.457 176.870 -0.128 0.000 1.015 48 L CA -1.121 53.672 54.840 -0.079 0.000 0.807 48 L CB 0.390 42.421 42.059 -0.047 0.000 1.293 48 L HN -0.073 nan 8.230 nan 0.000 0.451 49 Y N 0.025 120.330 120.300 0.008 0.000 2.496 49 Y HA 0.031 4.580 4.550 -0.000 0.000 0.334 49 Y C 1.187 177.036 175.900 -0.084 0.000 1.080 49 Y CA 0.199 58.344 58.100 0.076 0.000 1.355 49 Y CB 0.596 39.196 38.460 0.233 0.000 1.193 49 Y HN 0.538 nan 8.280 nan 0.000 0.523 50 c N 1.040 119.675 118.600 0.059 0.000 2.563 50 c HA 0.254 4.824 4.570 -0.000 0.000 0.268 50 c C 1.875 176.086 174.090 0.202 0.000 1.365 50 c CA 0.722 57.000 56.329 -0.085 0.000 1.754 50 c CB -0.726 41.743 42.510 -0.069 0.000 1.932 50 c HN 1.219 nan 8.230 nan 0.000 0.536 51 G N -0.179 108.869 108.800 0.414 0.000 2.229 51 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.189 51 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.189 51 G C 0.390 175.434 174.900 0.240 0.000 1.000 51 G CA -0.135 45.218 45.100 0.421 0.000 0.663 51 G HN 0.767 nan 8.290 nan 0.000 0.493 52 G N 0.738 109.665 108.800 0.210 0.000 2.414 52 G HA2 0.520 4.480 3.960 -0.000 0.000 0.236 52 G HA3 0.520 4.480 3.960 -0.000 0.000 0.236 52 G C 0.016 174.984 174.900 0.113 0.000 1.293 52 G CA 1.200 46.394 45.100 0.156 0.000 0.869 52 G HN 1.081 nan 8.290 nan 0.000 0.556 53 D N -0.644 119.806 120.400 0.083 0.000 2.759 53 D HA 0.207 4.847 4.640 -0.000 0.000 0.321 53 D C 0.410 176.776 176.300 0.109 0.000 1.267 53 D CA -0.880 53.117 54.000 -0.004 0.000 0.933 53 D CB 0.171 40.982 40.800 0.017 0.000 1.431 53 D HN 0.308 nan 8.370 nan 0.000 0.504 54 W N -0.519 120.849 121.300 0.112 0.000 2.436 54 W HA 0.007 4.667 4.660 -0.000 0.000 0.284 54 W C 1.999 178.566 176.519 0.080 0.000 1.225 54 W CA 0.751 58.151 57.345 0.092 0.000 1.271 54 W CB -0.877 28.667 29.460 0.140 0.000 1.114 54 W HN 0.517 nan 8.180 nan 0.000 0.559 55 Q N 0.396 120.360 119.800 0.273 0.000 2.170 55 Q HA -0.072 4.268 4.340 -0.000 0.000 0.203 55 Q C 2.359 178.437 176.000 0.130 0.000 0.976 55 Q CA 2.224 58.128 55.803 0.168 0.000 0.858 55 Q CB -0.915 27.894 28.738 0.119 0.000 0.907 55 Q HN 0.178 nan 8.270 nan 0.000 0.433 56 G N -0.038 108.849 108.800 0.145 0.000 2.408 56 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.217 56 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.217 56 G C 1.406 176.421 174.900 0.191 0.000 1.150 56 G CA 0.780 45.949 45.100 0.115 0.000 0.776 56 G HN 0.411 nan 8.290 nan 0.000 0.542 57 I N 0.498 121.249 120.570 0.302 0.000 2.202 57 I HA -0.102 4.067 4.170 -0.000 0.000 0.242 57 I C 2.627 178.843 176.117 0.166 0.000 1.091 57 I CA 0.664 62.157 61.300 0.322 0.000 1.368 57 I CB -0.228 37.903 38.000 0.217 0.000 1.058 57 I HN 0.112 nan 8.210 nan 0.000 0.410 58 I N 1.128 121.765 120.570 0.112 0.000 2.151 58 I HA -0.359 3.811 4.170 -0.000 0.000 0.243 58 I C 2.235 178.361 176.117 0.014 0.000 1.080 58 I CA 1.522 62.849 61.300 0.045 0.000 1.339 58 I CB -0.568 37.467 38.000 0.058 0.000 1.039 58 I HN 0.333 nan 8.210 nan 0.000 0.409 59 N N 0.760 119.471 118.700 0.019 0.000 2.120 59 N HA -0.151 4.589 4.740 -0.000 0.000 0.188 59 N C 1.681 177.153 175.510 -0.062 0.000 1.024 59 N CA 1.134 54.164 53.050 -0.033 0.000 0.852 59 N CB -0.233 38.217 38.487 -0.062 0.000 1.003 59 N HN 0.281 nan 8.380 nan 0.000 0.424 60 K N 0.587 120.973 120.400 -0.024 0.000 2.366 60 K HA 0.138 4.457 4.320 -0.000 0.000 0.198 60 K C 1.969 178.605 176.600 0.061 0.000 1.044 60 K CA 0.121 56.413 56.287 0.009 0.000 0.973 60 K CB 0.057 32.633 32.500 0.127 0.000 0.767 60 K HN 0.292 nan 8.250 nan 0.000 0.475 61 I N 1.175 121.738 120.570 -0.012 0.000 2.277 61 I HA -0.234 3.935 4.170 -0.000 0.000 0.243 61 I C 2.076 178.019 176.117 -0.290 0.000 1.094 61 I CA 0.738 61.949 61.300 -0.149 0.000 1.393 61 I CB -0.227 37.657 38.000 -0.193 0.000 1.078 61 I HN 0.134 nan 8.210 nan 0.000 0.417 62 N N 1.332 119.891 118.700 -0.236 0.000 2.043 62 N HA -0.214 4.525 4.740 -0.000 0.000 0.193 62 N C 1.209 176.679 175.510 -0.067 0.000 1.037 62 N CA 2.038 54.991 53.050 -0.162 0.000 0.851 62 N CB -0.436 38.017 38.487 -0.057 0.000 1.027 62 N HN 0.476 nan 8.380 nan 0.000 0.422 63 D N -1.032 119.339 120.400 -0.047 0.000 2.336 63 D HA 0.082 4.722 4.640 -0.000 0.000 0.229 63 D C 1.110 177.420 176.300 0.015 0.000 1.061 63 D CA 0.762 54.751 54.000 -0.018 0.000 0.875 63 D CB -0.417 40.357 40.800 -0.043 0.000 0.904 63 D HN 0.306 nan 8.370 nan 0.000 0.525 64 G N -0.352 108.456 108.800 0.013 0.000 2.176 64 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.253 64 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.253 64 G C 0.617 175.571 174.900 0.091 0.000 0.979 64 G CA 0.369 45.493 45.100 0.040 0.000 0.641 64 G HN 0.384 nan 8.290 nan 0.000 0.530 65 Y N 0.445 120.758 120.300 0.022 0.000 2.114 65 Y HA 0.078 4.628 4.550 -0.000 0.000 0.284 65 Y C 2.522 178.508 175.900 0.145 0.000 1.143 65 Y CA 2.393 60.561 58.100 0.113 0.000 1.135 65 Y CB -0.220 38.281 38.460 0.068 0.000 0.980 65 Y HN 0.239 nan 8.280 nan 0.000 0.499 66 L N -0.253 120.979 121.223 0.015 0.000 2.068 66 L HA -0.119 4.221 4.340 -0.000 0.000 0.204 66 L C 2.705 179.470 176.870 -0.174 0.000 1.076 66 L CA 2.413 57.156 54.840 -0.161 0.000 0.753 66 L CB -1.677 40.347 42.059 -0.058 0.000 0.910 66 L HN 0.489 nan 8.230 nan 0.000 0.439 67 T N -4.102 110.401 114.554 -0.085 0.000 2.962 67 T HA -0.054 4.296 4.350 -0.000 0.000 0.270 67 T C 1.893 176.556 174.700 -0.061 0.000 1.088 67 T CA 0.854 62.919 62.100 -0.059 0.000 1.127 67 T CB -0.783 68.084 68.868 -0.002 0.000 0.883 67 T HN 0.303 nan 8.240 nan 0.000 0.493 68 G N 0.610 109.388 108.800 -0.037 0.000 2.448 68 G HA2 0.023 3.983 3.960 -0.000 0.000 0.218 68 G HA3 0.023 3.983 3.960 -0.000 0.000 0.218 68 G C 1.441 176.289 174.900 -0.087 0.000 1.135 68 G CA 0.276 45.391 45.100 0.025 0.000 0.784 68 G HN 0.488 nan 8.290 nan 0.000 0.543 69 M N 0.161 119.560 119.600 -0.336 0.000 2.558 69 M HA 0.204 4.684 4.480 -0.000 0.000 0.255 69 M C 1.743 177.834 176.300 -0.348 0.000 1.113 69 M CA 0.923 55.831 55.300 -0.654 0.000 1.097 69 M CB 0.330 32.412 32.600 -0.864 0.000 1.426 69 M HN 0.359 nan 8.290 nan 0.000 0.488 70 G N 1.159 109.831 108.800 -0.213 0.000 2.141 70 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.242 70 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.242 70 G C -0.006 174.820 174.900 -0.124 0.000 0.982 70 G CA -0.362 44.651 45.100 -0.145 0.000 0.662 70 G HN 0.348 nan 8.290 nan 0.000 0.527 71 I N 1.883 122.372 120.570 -0.135 0.000 2.648 71 I HA 0.279 4.449 4.170 -0.000 0.000 0.284 71 I C 1.729 177.818 176.117 -0.047 0.000 1.153 71 I CA 1.458 62.711 61.300 -0.078 0.000 1.426 71 I CB 0.893 38.820 38.000 -0.122 0.000 1.381 71 I HN 0.394 nan 8.210 nan 0.000 0.571 72 T N 1.639 116.180 114.554 -0.022 0.000 3.111 72 T HA 0.652 5.001 4.350 -0.000 0.000 0.284 72 T C 0.093 174.790 174.700 -0.005 0.000 0.983 72 T CA -0.108 61.969 62.100 -0.038 0.000 0.900 72 T CB 0.280 69.090 68.868 -0.096 0.000 1.132 72 T HN 0.721 nan 8.240 nan 0.000 0.531 73 A N 1.616 124.487 122.820 0.085 0.000 2.566 73 A HA 0.753 5.072 4.320 -0.000 0.000 0.297 73 A C -1.008 176.728 177.584 0.254 0.000 1.059 73 A CA -1.188 50.962 52.037 0.188 0.000 0.691 73 A CB 1.077 20.269 19.000 0.320 0.000 1.282 73 A HN 0.714 nan 8.150 nan 0.000 0.401 74 I N -1.777 118.950 120.570 0.263 0.000 2.603 74 I HA 0.871 5.041 4.170 -0.000 0.000 0.300 74 I C -0.872 175.472 176.117 0.379 0.000 1.017 74 I CA -0.812 60.657 61.300 0.283 0.000 1.098 74 I CB 1.958 40.055 38.000 0.161 0.000 1.279 74 I HN 0.736 nan 8.210 nan 0.000 0.437 75 W N 8.289 129.682 121.300 0.155 0.000 2.411 75 W HA 0.742 5.401 4.660 -0.000 0.000 0.317 75 W C -1.308 175.242 176.519 0.051 0.000 1.030 75 W CA -1.887 55.541 57.345 0.139 0.000 1.239 75 W CB 0.832 30.416 29.460 0.208 0.000 1.304 75 W HN 0.658 nan 8.180 nan 0.000 0.437 76 I N 2.334 123.069 120.570 0.276 0.000 2.982 76 I HA 0.668 4.838 4.170 -0.000 0.000 0.312 76 I C 0.382 176.493 176.117 -0.009 0.000 1.041 76 I CA -1.004 60.316 61.300 0.032 0.000 1.053 76 I CB 1.588 39.638 38.000 0.084 0.000 1.248 76 I HN 0.176 nan 8.210 nan 0.000 0.471 77 S N 1.439 117.006 115.700 -0.222 0.000 2.576 77 S HA -0.005 4.465 4.470 -0.000 0.000 0.272 77 S C -0.049 174.537 174.600 -0.023 0.000 1.352 77 S CA -0.373 57.646 58.200 -0.301 0.000 1.021 77 S CB 0.390 63.283 63.200 -0.513 0.000 0.887 77 S HN 0.702 nan 8.310 nan 0.000 0.542 78 Q N 2.806 122.584 119.800 -0.037 0.000 2.263 78 Q HA 0.023 4.363 4.340 -0.000 0.000 0.289 78 Q C -1.607 174.444 176.000 0.085 0.000 1.061 78 Q CA -1.159 54.651 55.803 0.013 0.000 0.927 78 Q CB 0.589 29.313 28.738 -0.023 0.000 1.154 78 Q HN 0.329 nan 8.270 nan 0.000 0.378 79 P HA -0.019 nan 4.420 nan 0.000 0.245 79 P C 0.299 177.620 177.300 0.035 0.000 1.206 79 P CA 0.250 63.444 63.100 0.156 0.000 0.781 79 P CB -0.017 31.537 31.700 -0.243 0.000 0.994 80 V N -1.843 117.988 119.914 -0.138 0.000 3.003 80 V HA 0.284 4.404 4.120 -0.000 0.000 0.305 80 V C 0.443 176.480 176.094 -0.094 0.000 1.078 80 V CA -1.068 61.210 62.300 -0.036 0.000 1.083 80 V CB 0.374 32.118 31.823 -0.131 0.000 1.039 80 V HN -0.050 nan 8.190 nan 0.000 0.481 81 E N 2.490 122.666 120.200 -0.040 0.000 2.480 81 E HA 0.067 4.417 4.350 -0.000 0.000 0.258 81 E C -0.397 176.063 176.600 -0.234 0.000 0.984 81 E CA 0.040 56.360 56.400 -0.134 0.000 0.930 81 E CB 0.283 29.956 29.700 -0.044 0.000 0.936 81 E HN 0.855 nan 8.360 nan 0.000 0.466 82 N N 2.503 121.003 118.700 -0.335 0.000 2.483 82 N HA 0.338 5.078 4.740 -0.000 0.000 0.285 82 N C -0.475 174.780 175.510 -0.425 0.000 1.210 82 N CA -0.640 52.235 53.050 -0.292 0.000 0.931 82 N CB 0.784 39.123 38.487 -0.247 0.000 1.220 82 N HN 0.457 nan 8.380 nan 0.000 0.542 83 I N -1.375 119.080 120.570 -0.191 0.000 2.836 83 I HA 0.060 4.230 4.170 -0.000 0.000 0.285 83 I C -0.064 175.875 176.117 -0.296 0.000 1.174 83 I CA 0.076 61.261 61.300 -0.193 0.000 1.405 83 I CB 0.352 38.346 38.000 -0.010 0.000 1.385 83 I HN 0.550 nan 8.210 nan 0.000 0.594 84 Y N 2.180 122.500 120.300 0.033 0.000 2.482 84 Y HA 0.165 4.715 4.550 -0.000 0.000 0.270 84 Y C 1.376 177.302 175.900 0.043 0.000 1.152 84 Y CA -0.155 57.962 58.100 0.027 0.000 1.292 84 Y CB -0.281 38.162 38.460 -0.027 0.000 1.070 84 Y HN 0.562 nan 8.280 nan 0.000 0.528 85 S N 0.481 116.251 115.700 0.118 0.000 2.572 85 S HA 0.231 4.700 4.470 -0.000 0.000 0.279 85 S C -0.057 174.591 174.600 0.080 0.000 1.341 85 S CA -0.577 57.647 58.200 0.041 0.000 1.043 85 S CB 1.356 64.490 63.200 -0.110 0.000 0.887 85 S HN -0.067 nan 8.310 nan 0.000 0.516 86 V N 4.098 124.041 119.914 0.047 0.000 2.350 86 V HA 0.330 4.449 4.120 -0.000 0.000 0.276 86 V C -0.002 176.079 176.094 -0.023 0.000 1.028 86 V CA -0.396 61.947 62.300 0.071 0.000 0.860 86 V CB 0.420 32.288 31.823 0.075 0.000 0.990 86 V HN 0.719 nan 8.190 nan 0.000 0.453 87 I N 4.808 125.354 120.570 -0.040 0.000 2.353 87 I HA 0.335 4.505 4.170 -0.000 0.000 0.293 87 I C 0.348 176.356 176.117 -0.183 0.000 0.992 87 I CA -0.256 60.903 61.300 -0.236 0.000 1.268 87 I CB 1.210 38.946 38.000 -0.441 0.000 1.387 87 I HN 0.534 nan 8.210 nan 0.000 0.478 88 N N 6.876 125.476 118.700 -0.166 0.000 2.439 88 N HA 0.203 4.943 4.740 -0.000 0.000 0.249 88 N C -1.611 173.847 175.510 -0.087 0.000 1.003 88 N CA -0.207 52.806 53.050 -0.061 0.000 0.942 88 N CB 0.622 39.107 38.487 -0.002 0.000 1.115 88 N HN 0.425 nan 8.380 nan 0.000 0.505 89 Y N 2.089 122.460 120.300 0.118 0.000 2.402 89 Y HA 0.122 4.672 4.550 -0.000 0.000 0.332 89 Y C 0.869 176.806 175.900 0.062 0.000 0.960 89 Y CA -0.654 57.504 58.100 0.095 0.000 1.228 89 Y CB 0.981 39.503 38.460 0.103 0.000 1.120 89 Y HN 0.524 nan 8.280 nan 0.000 0.491 90 S N 2.627 118.445 115.700 0.197 0.000 3.631 90 S HA -0.241 4.228 4.470 -0.000 0.000 0.366 90 S C 1.191 175.846 174.600 0.091 0.000 0.993 90 S CA 1.047 59.316 58.200 0.115 0.000 1.167 90 S CB -1.407 61.851 63.200 0.096 0.000 0.909 90 S HN 1.399 nan 8.310 nan 0.000 0.478 91 G N -1.437 107.414 108.800 0.085 0.000 2.659 91 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.212 91 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.212 91 G C 0.270 175.215 174.900 0.075 0.000 1.226 91 G CA -0.022 45.117 45.100 0.066 0.000 0.739 91 G HN 1.498 nan 8.290 nan 0.000 0.528 92 V N 2.892 122.868 119.914 0.103 0.000 2.555 92 V HA 0.557 4.677 4.120 -0.000 0.000 0.286 92 V C 0.202 176.372 176.094 0.126 0.000 1.044 92 V CA -0.756 61.607 62.300 0.106 0.000 1.026 92 V CB 1.084 32.975 31.823 0.112 0.000 0.981 92 V HN 0.451 nan 8.190 nan 0.000 0.480 93 N N 5.330 124.087 118.700 0.097 0.000 2.525 93 N HA 0.358 5.098 4.740 -0.000 0.000 0.271 93 N C -0.561 175.038 175.510 0.148 0.000 1.194 93 N CA 0.056 53.164 53.050 0.098 0.000 0.964 93 N CB 0.552 39.084 38.487 0.074 0.000 1.126 93 N HN 0.751 nan 8.380 nan 0.000 0.452 94 N N -0.315 118.497 118.700 0.187 0.000 2.287 94 N HA 0.354 5.094 4.740 -0.000 0.000 0.289 94 N C -0.789 174.894 175.510 0.288 0.000 1.066 94 N CA -0.367 52.858 53.050 0.291 0.000 0.841 94 N CB 2.248 41.041 38.487 0.511 0.000 1.599 94 N HN 0.560 nan 8.380 nan 0.000 0.476 95 T N -2.552 112.109 114.554 0.179 0.000 2.858 95 T HA 0.593 4.943 4.350 -0.000 0.000 0.285 95 T C 0.472 174.916 174.700 -0.427 0.000 1.052 95 T CA -0.730 61.422 62.100 0.087 0.000 1.009 95 T CB 1.545 70.476 68.868 0.105 0.000 1.241 95 T HN 0.337 nan 8.240 nan 0.000 0.542 96 A N 0.384 122.900 122.820 -0.507 0.000 2.543 96 A HA 0.278 4.598 4.320 -0.000 0.000 0.258 96 A C 1.260 178.061 177.584 -1.306 0.000 1.391 96 A CA -0.229 51.188 52.037 -1.033 0.000 1.066 96 A CB -1.750 17.066 19.000 -0.308 0.000 0.972 96 A HN 0.931 nan 8.150 nan 0.000 0.560 97 Y N -0.355 119.086 120.300 -1.432 0.000 2.315 97 Y HA -0.300 4.250 4.550 -0.000 0.000 0.288 97 Y C 1.823 177.348 175.900 -0.625 0.000 1.154 97 Y CA 1.693 59.033 58.100 -1.267 0.000 1.229 97 Y CB -1.062 36.887 38.460 -0.852 0.000 0.980 97 Y HN 0.633 nan 8.280 nan 0.000 0.540 98 H N -1.379 116.867 119.070 -1.373 0.000 2.548 98 H HA 0.367 4.923 4.556 -0.000 0.000 0.268 98 H C 1.981 176.695 175.328 -1.024 0.000 0.975 98 H CA -0.165 55.193 56.048 -1.151 0.000 1.195 98 H CB -0.512 28.552 29.762 -1.164 0.000 1.397 98 H HN 0.443 nan 8.280 nan 0.000 0.572 99 G N -0.036 108.377 108.800 -0.645 0.000 2.179 99 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.260 99 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.260 99 G C 0.499 175.274 174.900 -0.208 0.000 0.977 99 G CA 0.492 45.379 45.100 -0.356 0.000 0.641 99 G HN 0.483 nan 8.290 nan 0.000 0.533 100 Y N -0.964 119.364 120.300 0.047 0.000 2.583 100 Y HA 0.293 4.843 4.550 -0.000 0.000 0.293 100 Y C 1.085 177.183 175.900 0.330 0.000 1.157 100 Y CA -0.455 57.712 58.100 0.113 0.000 1.315 100 Y CB 0.074 38.543 38.460 0.015 0.000 1.021 100 Y HN 0.412 nan 8.280 nan 0.000 0.536 101 W N 1.363 122.789 121.300 0.210 0.000 2.147 101 W HA 0.688 5.348 4.660 -0.000 0.000 0.325 101 W C 0.126 176.617 176.519 -0.046 0.000 0.855 101 W CA -2.131 55.289 57.345 0.125 0.000 1.642 101 W CB -0.565 28.951 29.460 0.093 0.000 1.750 101 W HN -0.180 nan 8.180 nan 0.000 0.359 102 A N 2.541 125.397 122.820 0.060 0.000 2.445 102 A HA 0.466 4.785 4.320 -0.000 0.000 0.242 102 A C 1.351 178.868 177.584 -0.111 0.000 1.075 102 A CA 0.033 51.921 52.037 -0.248 0.000 0.777 102 A CB 0.594 19.063 19.000 -0.885 0.000 1.013 102 A HN 0.677 nan 8.150 nan 0.000 0.493 103 R N -0.020 120.412 120.500 -0.114 0.000 2.492 103 R HA 0.277 4.617 4.340 -0.000 0.000 0.219 103 R C -0.833 175.581 176.300 0.191 0.000 0.886 103 R CA 0.138 56.299 56.100 0.102 0.000 1.003 103 R CB 0.624 30.992 30.300 0.113 0.000 1.345 103 R HN 0.511 nan 8.270 nan 0.000 0.631 104 D N 0.054 120.487 120.400 0.055 0.000 2.616 104 D HA 0.192 4.832 4.640 -0.000 0.000 0.238 104 D C -0.666 175.757 176.300 0.203 0.000 1.354 104 D CA -0.688 53.468 54.000 0.260 0.000 0.970 104 D CB 1.147 42.084 40.800 0.228 0.000 1.369 104 D HN 0.008 nan 8.370 nan 0.000 0.585 105 F N 1.828 122.013 119.950 0.393 0.000 2.802 105 F HA 0.161 4.688 4.527 -0.000 0.000 0.300 105 F C 2.040 178.128 175.800 0.480 0.000 1.168 105 F CA 0.501 58.720 58.000 0.365 0.000 1.433 105 F CB 0.305 39.465 39.000 0.268 0.000 1.115 105 F HN 0.127 nan 8.300 nan 0.000 0.582 106 K N -0.354 120.337 120.400 0.484 0.000 2.358 106 K HA 0.163 4.483 4.320 -0.000 0.000 0.200 106 K C 0.286 177.005 176.600 0.198 0.000 1.030 106 K CA 0.153 56.607 56.287 0.279 0.000 1.097 106 K CB 0.560 33.173 32.500 0.190 0.000 0.862 106 K HN 0.107 nan 8.250 nan 0.000 0.534 107 K N 0.635 121.215 120.400 0.300 0.000 2.400 107 K HA 0.241 4.561 4.320 -0.000 0.000 0.246 107 K C -0.253 176.551 176.600 0.340 0.000 0.995 107 K CA -0.678 55.746 56.287 0.229 0.000 0.840 107 K CB 1.987 34.581 32.500 0.157 0.000 1.293 107 K HN -0.045 nan 8.250 nan 0.000 0.445 108 T N -1.457 113.281 114.554 0.306 0.000 2.902 108 T HA 0.179 4.529 4.350 -0.000 0.000 0.280 108 T C 0.192 174.961 174.700 0.115 0.000 0.992 108 T CA -0.833 61.478 62.100 0.352 0.000 1.015 108 T CB 0.828 69.999 68.868 0.506 0.000 1.044 108 T HN 0.434 nan 8.240 nan 0.000 0.520 109 N N 2.623 121.307 118.700 -0.028 0.000 2.401 109 N HA 0.175 4.915 4.740 -0.000 0.000 0.255 109 N C -1.366 173.969 175.510 -0.292 0.000 1.110 109 N CA -2.368 50.511 53.050 -0.285 0.000 0.949 109 N CB 1.100 39.201 38.487 -0.644 0.000 1.110 109 N HN 0.403 nan 8.380 nan 0.000 0.490 110 P HA -0.073 nan 4.420 nan 0.000 0.226 110 P C 0.744 177.925 177.300 -0.199 0.000 1.153 110 P CA 0.617 63.647 63.100 -0.116 0.000 0.777 110 P CB 0.247 31.930 31.700 -0.028 0.000 0.794 111 A N -0.854 121.781 122.820 -0.309 0.000 1.969 111 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 111 A C 1.958 179.444 177.584 -0.164 0.000 1.169 111 A CA 1.073 52.931 52.037 -0.300 0.000 0.635 111 A CB -1.370 17.332 19.000 -0.497 0.000 0.810 111 A HN 0.069 nan 8.150 nan 0.000 0.445 112 Y N -0.815 119.203 120.300 -0.471 0.000 2.314 112 Y HA 0.373 4.923 4.550 -0.000 0.000 0.294 112 Y C 1.575 176.912 175.900 -0.939 0.000 1.119 112 Y CA 0.163 57.730 58.100 -0.887 0.000 1.179 112 Y CB -0.641 36.948 38.460 -1.451 0.000 1.025 112 Y HN 0.420 nan 8.280 nan 0.000 0.541 113 G N -1.052 107.447 108.800 -0.502 0.000 2.341 113 G HA2 0.291 4.251 3.960 -0.000 0.000 0.293 113 G HA3 0.291 4.251 3.960 -0.000 0.000 0.293 113 G C -0.669 174.347 174.900 0.193 0.000 1.298 113 G CA -0.473 44.616 45.100 -0.018 0.000 0.868 113 G HN 0.170 nan 8.290 nan 0.000 0.540 114 T N -1.861 112.891 114.554 0.331 0.000 2.849 114 T HA 0.509 4.859 4.350 -0.000 0.000 0.276 114 T C 1.707 176.674 174.700 0.445 0.000 0.971 114 T CA -0.193 62.088 62.100 0.302 0.000 0.949 114 T CB 1.036 70.019 68.868 0.193 0.000 1.093 114 T HN 0.356 nan 8.240 nan 0.000 0.545 115 M N 0.037 119.820 119.600 0.306 0.000 2.149 115 M HA -0.101 4.379 4.480 -0.000 0.000 0.261 115 M C 2.329 178.787 176.300 0.263 0.000 1.064 115 M CA 1.758 57.218 55.300 0.267 0.000 1.102 115 M CB -1.455 31.229 32.600 0.139 0.000 1.369 115 M HN 0.864 nan 8.290 nan 0.000 0.408 116 Q N 0.764 120.689 119.800 0.209 0.000 2.079 116 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 116 Q C 1.430 177.548 176.000 0.196 0.000 0.974 116 Q CA 1.665 57.568 55.803 0.166 0.000 0.840 116 Q CB -0.176 28.636 28.738 0.123 0.000 0.898 116 Q HN 0.389 nan 8.270 nan 0.000 0.430 117 D N -0.550 120.020 120.400 0.283 0.000 2.144 117 D HA -0.164 4.475 4.640 -0.000 0.000 0.199 117 D C 1.543 178.033 176.300 0.317 0.000 0.984 117 D CA 0.942 55.147 54.000 0.341 0.000 0.834 117 D CB -0.305 40.793 40.800 0.496 0.000 0.955 117 D HN 0.308 nan 8.370 nan 0.000 0.465 118 F N 1.689 121.718 119.950 0.133 0.000 2.113 118 F HA -0.151 4.376 4.527 -0.000 0.000 0.297 118 F C 2.223 177.937 175.800 -0.143 0.000 1.103 118 F CA 1.318 59.152 58.000 -0.277 0.000 1.248 118 F CB 0.168 38.994 39.000 -0.291 0.000 0.999 118 F HN -0.196 nan 8.300 nan 0.000 0.475 119 K N 0.081 120.529 120.400 0.079 0.000 2.063 119 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 119 K C 1.709 178.257 176.600 -0.086 0.000 1.048 119 K CA 1.653 57.934 56.287 -0.009 0.000 0.928 119 K CB -0.320 32.219 32.500 0.065 0.000 0.713 119 K HN 0.231 nan 8.250 nan 0.000 0.442 120 N N 1.034 119.717 118.700 -0.028 0.000 2.166 120 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 120 N C 1.705 177.158 175.510 -0.095 0.000 1.019 120 N CA 0.799 53.833 53.050 -0.027 0.000 0.856 120 N CB -0.259 38.251 38.487 0.037 0.000 0.993 120 N HN 0.071 nan 8.380 nan 0.000 0.426 121 L N 0.861 121.976 121.223 -0.179 0.000 2.056 121 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 121 L C 1.796 178.449 176.870 -0.362 0.000 1.078 121 L CA 1.248 55.934 54.840 -0.258 0.000 0.749 121 L CB -0.369 41.454 42.059 -0.394 0.000 0.901 121 L HN 0.016 nan 8.230 nan 0.000 0.433 122 I N -0.027 120.240 120.570 -0.506 0.000 2.179 122 I HA -0.259 3.910 4.170 -0.000 0.000 0.242 122 I C 2.126 177.935 176.117 -0.514 0.000 1.088 122 I CA 1.378 62.330 61.300 -0.580 0.000 1.357 122 I CB -1.460 36.230 38.000 -0.517 0.000 1.051 122 I HN 0.316 nan 8.210 nan 0.000 0.409 123 D N 0.363 120.602 120.400 -0.268 0.000 2.144 123 D HA -0.113 4.527 4.640 -0.000 0.000 0.200 123 D C 2.197 178.472 176.300 -0.042 0.000 0.978 123 D CA 1.366 55.296 54.000 -0.118 0.000 0.833 123 D CB -0.250 40.521 40.800 -0.048 0.000 0.961 123 D HN 0.269 nan 8.370 nan 0.000 0.470 124 T N 0.639 115.174 114.554 -0.032 0.000 2.777 124 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 124 T C 2.044 176.820 174.700 0.127 0.000 1.040 124 T CA 1.386 63.533 62.100 0.079 0.000 1.141 124 T CB -0.273 68.619 68.868 0.040 0.000 0.868 124 T HN 0.177 nan 8.240 nan 0.000 0.444 125 A N 1.630 124.446 122.820 -0.007 0.000 1.883 125 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 125 A C 2.103 179.773 177.584 0.144 0.000 1.186 125 A CA 1.751 53.804 52.037 0.027 0.000 0.624 125 A CB -0.918 18.039 19.000 -0.071 0.000 0.822 125 A HN 0.486 nan 8.150 nan 0.000 0.444 126 H N -0.290 118.786 119.070 0.009 0.000 2.389 126 H HA 0.068 4.624 4.556 -0.000 0.000 0.299 126 H C 2.436 177.757 175.328 -0.013 0.000 1.081 126 H CA 0.979 57.022 56.048 -0.008 0.000 1.345 126 H CB -0.731 29.018 29.762 -0.021 0.000 1.393 126 H HN 0.502 nan 8.280 nan 0.000 0.520 127 A N 0.442 123.334 122.820 0.119 0.000 2.019 127 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 127 A C 1.361 178.866 177.584 -0.131 0.000 1.164 127 A CA 1.263 53.288 52.037 -0.020 0.000 0.644 127 A CB -0.379 18.590 19.000 -0.052 0.000 0.805 127 A HN 0.500 nan 8.150 nan 0.000 0.449 128 H N -0.489 118.592 119.070 0.018 0.000 2.487 128 H HA 0.111 4.667 4.556 -0.000 0.000 0.290 128 H C -0.208 175.116 175.328 -0.006 0.000 1.081 128 H CA -0.074 55.975 56.048 0.003 0.000 1.116 128 H CB 0.046 29.809 29.762 0.002 0.000 1.560 128 H HN 0.468 nan 8.280 nan 0.000 0.548 129 N N 1.004 119.743 118.700 0.066 0.000 2.727 129 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 129 N C -0.451 175.065 175.510 0.009 0.000 1.048 129 N CA 0.673 53.728 53.050 0.009 0.000 0.714 129 N CB -1.426 37.042 38.487 -0.032 0.000 0.959 129 N HN 0.477 nan 8.380 nan 0.000 0.544 130 I N 0.658 121.269 120.570 0.069 0.000 2.406 130 I HA 0.203 4.373 4.170 -0.000 0.000 0.290 130 I C 0.564 176.758 176.117 0.129 0.000 0.999 130 I CA -0.626 60.712 61.300 0.064 0.000 1.124 130 I CB 1.595 39.634 38.000 0.065 0.000 1.289 130 I HN -0.183 nan 8.210 nan 0.000 0.441 131 K N 4.472 124.918 120.400 0.077 0.000 2.154 131 K HA 0.563 4.883 4.320 -0.000 0.000 0.264 131 K C -0.957 175.790 176.600 0.245 0.000 1.008 131 K CA -0.567 55.812 56.287 0.155 0.000 0.937 131 K CB 1.715 34.190 32.500 -0.042 0.000 1.002 131 K HN 0.260 nan 8.250 nan 0.000 0.469 132 V N 4.081 124.158 119.914 0.272 0.000 2.444 132 V HA 0.354 4.474 4.120 -0.000 0.000 0.294 132 V C -0.351 175.906 176.094 0.271 0.000 1.022 132 V CA -0.738 61.678 62.300 0.193 0.000 0.850 132 V CB 1.205 33.031 31.823 0.004 0.000 0.992 132 V HN 0.593 nan 8.190 nan 0.000 0.426 133 I N 6.101 126.849 120.570 0.295 0.000 2.377 133 I HA 0.536 4.706 4.170 -0.000 0.000 0.293 133 I C -0.175 176.084 176.117 0.236 0.000 0.987 133 I CA -0.544 60.903 61.300 0.245 0.000 1.185 133 I CB 1.696 39.832 38.000 0.226 0.000 1.341 133 I HN 0.595 nan 8.210 nan 0.000 0.455 134 I N 1.554 122.225 120.570 0.169 0.000 2.493 134 I HA 0.532 4.701 4.170 -0.000 0.000 0.298 134 I C -0.537 175.660 176.117 0.134 0.000 0.998 134 I CA -0.887 60.519 61.300 0.177 0.000 1.137 134 I CB 1.202 39.279 38.000 0.127 0.000 1.310 134 I HN 0.300 nan 8.210 nan 0.000 0.445 135 D N 4.140 124.660 120.400 0.199 0.000 2.423 135 D HA 0.288 4.928 4.640 -0.000 0.000 0.238 135 D C -1.210 175.228 176.300 0.229 0.000 1.142 135 D CA 0.813 54.929 54.000 0.194 0.000 0.884 135 D CB 1.028 41.956 40.800 0.214 0.000 1.199 135 D HN 0.523 nan 8.370 nan 0.000 0.438 136 F N 0.292 120.278 119.950 0.060 0.000 2.588 136 F HA 0.469 4.996 4.527 -0.000 0.000 0.318 136 F C -1.086 174.801 175.800 0.145 0.000 1.155 136 F CA -0.686 57.378 58.000 0.106 0.000 0.967 136 F CB 1.498 40.573 39.000 0.125 0.000 1.236 136 F HN 0.293 nan 8.300 nan 0.000 0.455 137 A N 7.249 129.954 122.820 -0.192 0.000 2.938 137 A HA 0.454 4.774 4.320 -0.000 0.000 0.344 137 A C -2.388 175.070 177.584 -0.210 0.000 1.142 137 A CA -1.154 50.820 52.037 -0.104 0.000 0.841 137 A CB -0.230 18.757 19.000 -0.022 0.000 1.083 137 A HN 0.471 nan 8.150 nan 0.000 0.479 138 P HA -0.037 nan 4.420 nan 0.000 0.245 138 P C 0.655 177.903 177.300 -0.087 0.000 1.212 138 P CA 0.518 63.477 63.100 -0.235 0.000 0.774 138 P CB 0.184 31.811 31.700 -0.122 0.000 0.999 139 N N 0.803 119.459 118.700 -0.072 0.000 2.354 139 N HA -0.100 4.640 4.740 -0.000 0.000 0.179 139 N C 0.701 176.244 175.510 0.056 0.000 1.021 139 N CA 0.617 53.706 53.050 0.065 0.000 0.887 139 N CB -0.048 38.545 38.487 0.177 0.000 0.974 139 N HN 0.301 nan 8.380 nan 0.000 0.437 140 H N -4.741 114.386 119.070 0.094 0.000 2.981 140 H HA 0.263 4.819 4.556 -0.000 0.000 0.327 140 H C -0.074 175.387 175.328 0.223 0.000 1.342 140 H CA -0.132 55.980 56.048 0.107 0.000 1.123 140 H CB 0.767 30.566 29.762 0.061 0.000 1.851 140 H HN 0.032 nan 8.280 nan 0.000 0.531 141 T N -0.656 114.108 114.554 0.351 0.000 3.608 141 T HA 0.301 4.651 4.350 -0.000 0.000 0.213 141 T C 0.728 175.612 174.700 0.307 0.000 0.897 141 T CA 0.881 63.168 62.100 0.312 0.000 1.533 141 T CB -0.544 68.515 68.868 0.319 0.000 1.504 141 T HN 0.819 nan 8.240 nan 0.000 0.446 142 S N 0.739 116.496 115.700 0.095 0.000 2.671 142 S HA 0.671 5.141 4.470 -0.000 0.000 0.277 142 S C -3.345 171.058 174.600 -0.329 0.000 1.165 142 S CA -1.660 56.472 58.200 -0.114 0.000 0.822 142 S CB 1.065 64.204 63.200 -0.101 0.000 1.150 142 S HN 0.218 nan 8.310 nan 0.000 0.479 143 P HA 0.424 nan 4.420 nan 0.000 0.262 143 P C -1.005 176.211 177.300 -0.139 0.000 1.182 143 P CA 0.428 63.351 63.100 -0.295 0.000 0.761 143 P CB 0.318 31.829 31.700 -0.315 0.000 0.795 144 A N 2.412 125.187 122.820 -0.075 0.000 2.594 144 A HA 0.692 5.012 4.320 -0.000 0.000 0.295 144 A C -0.996 176.573 177.584 -0.025 0.000 1.071 144 A CA -0.479 51.522 52.037 -0.061 0.000 0.685 144 A CB 1.610 20.352 19.000 -0.431 0.000 1.285 144 A HN 0.326 nan 8.150 nan 0.000 0.405 145 S N 0.034 115.812 115.700 0.131 0.000 2.707 145 S HA 0.477 4.947 4.470 -0.000 0.000 0.303 145 S C 0.992 175.711 174.600 0.197 0.000 1.132 145 S CA 0.179 58.427 58.200 0.080 0.000 1.046 145 S CB 1.062 64.225 63.200 -0.061 0.000 1.004 145 S HN 1.608 nan 8.310 nan 0.000 0.483 146 S N 3.158 119.029 115.700 0.285 0.000 2.428 146 S HA -0.051 4.419 4.470 -0.000 0.000 0.230 146 S C 1.022 175.635 174.600 0.022 0.000 1.014 146 S CA 0.716 58.985 58.200 0.115 0.000 0.957 146 S CB -0.248 62.895 63.200 -0.096 0.000 0.784 146 S HN 0.754 nan 8.310 nan 0.000 0.499 147 D N 1.727 122.136 120.400 0.017 0.000 2.149 147 D HA 0.008 4.647 4.640 -0.000 0.000 0.201 147 D C 0.028 176.327 176.300 -0.002 0.000 0.972 147 D CA 1.046 55.039 54.000 -0.012 0.000 0.835 147 D CB -0.168 40.617 40.800 -0.024 0.000 0.966 147 D HN 0.409 nan 8.370 nan 0.000 0.476 148 D N 0.229 120.637 120.400 0.014 0.000 2.472 148 D HA 0.105 4.745 4.640 -0.000 0.000 0.234 148 D C -1.809 174.539 176.300 0.080 0.000 1.088 148 D CA -2.205 51.816 54.000 0.035 0.000 0.882 148 D CB 1.671 42.486 40.800 0.024 0.000 1.037 148 D HN -0.073 nan 8.370 nan 0.000 0.520 149 P HA -0.092 nan 4.420 nan 0.000 0.230 149 P C 0.856 178.193 177.300 0.061 0.000 1.158 149 P CA 0.510 63.644 63.100 0.057 0.000 0.769 149 P CB 0.195 31.911 31.700 0.027 0.000 0.807 150 S N -1.680 114.061 115.700 0.070 0.000 2.558 150 S HA 0.028 4.498 4.470 -0.000 0.000 0.217 150 S C 0.481 175.124 174.600 0.071 0.000 0.975 150 S CA -0.666 57.567 58.200 0.054 0.000 0.912 150 S CB -1.216 62.010 63.200 0.043 0.000 0.776 150 S HN 0.046 nan 8.310 nan 0.000 0.526 151 F N 3.421 123.345 119.950 -0.043 0.000 2.538 151 F HA 0.469 4.996 4.527 -0.000 0.000 0.371 151 F C 1.116 176.866 175.800 -0.084 0.000 1.087 151 F CA 0.094 58.053 58.000 -0.069 0.000 1.250 151 F CB 0.110 39.065 39.000 -0.076 0.000 1.110 151 F HN 0.489 nan 8.300 nan 0.000 0.570 152 A N 4.616 126.907 122.820 -0.881 0.000 5.395 152 A HA -0.369 3.951 4.320 -0.000 0.000 0.324 152 A C 0.933 178.336 177.584 -0.302 0.000 1.813 152 A CA 1.675 53.286 52.037 -0.709 0.000 0.714 152 A CB -1.357 17.015 19.000 -1.047 0.000 1.374 152 A HN 0.843 nan 8.150 nan 0.000 0.390 153 E N 1.062 121.136 120.200 -0.210 0.000 2.585 153 E HA 0.240 4.590 4.350 -0.000 0.000 0.206 153 E C 0.283 176.860 176.600 -0.039 0.000 1.007 153 E CA 0.349 56.713 56.400 -0.060 0.000 1.028 153 E CB -0.097 29.617 29.700 0.023 0.000 1.087 153 E HN 0.663 nan 8.360 nan 0.000 0.455 154 N N 0.936 119.594 118.700 -0.070 0.000 2.716 154 N HA -0.244 4.496 4.740 -0.000 0.000 0.250 154 N C 0.705 176.160 175.510 -0.093 0.000 1.033 154 N CA 0.399 53.432 53.050 -0.029 0.000 0.727 154 N CB -0.868 37.629 38.487 0.017 0.000 0.950 154 N HN 0.588 nan 8.380 nan 0.000 0.541 155 G N 0.133 108.840 108.800 -0.155 0.000 2.233 155 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.270 155 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.270 155 G C 0.277 175.154 174.900 -0.038 0.000 1.011 155 G CA 0.856 45.836 45.100 -0.199 0.000 0.762 155 G HN 0.678 nan 8.290 nan 0.000 0.511 156 R N -1.009 119.517 120.500 0.043 0.000 2.585 156 R HA 0.363 4.703 4.340 -0.000 0.000 0.275 156 R C 0.167 176.561 176.300 0.157 0.000 1.018 156 R CA -0.191 55.960 56.100 0.085 0.000 1.072 156 R CB 0.542 30.859 30.300 0.030 0.000 0.953 156 R HN 0.272 nan 8.270 nan 0.000 0.419 157 L N 3.754 125.021 121.223 0.072 0.000 2.329 157 L HA 0.418 4.757 4.340 -0.000 0.000 0.279 157 L C -1.479 175.285 176.870 -0.177 0.000 1.014 157 L CA -0.421 54.467 54.840 0.080 0.000 0.814 157 L CB 1.139 43.223 42.059 0.043 0.000 1.257 157 L HN 0.433 nan 8.230 nan 0.000 0.424 158 Y N 1.829 122.169 120.300 0.067 0.000 2.562 158 Y HA 0.517 5.067 4.550 -0.000 0.000 0.343 158 Y C -0.709 175.262 175.900 0.118 0.000 1.025 158 Y CA -0.761 57.382 58.100 0.072 0.000 1.082 158 Y CB 1.917 40.444 38.460 0.112 0.000 1.264 158 Y HN 0.561 nan 8.280 nan 0.000 0.478 159 D N 2.044 122.620 120.400 0.293 0.000 2.420 159 D HA 0.168 4.808 4.640 -0.000 0.000 0.255 159 D C -0.441 176.050 176.300 0.318 0.000 1.185 159 D CA -0.292 53.948 54.000 0.400 0.000 0.904 159 D CB 0.096 41.056 40.800 0.266 0.000 1.102 159 D HN 0.573 nan 8.370 nan 0.000 0.534 160 N N 3.321 122.210 118.700 0.315 0.000 2.727 160 N HA -0.231 4.509 4.740 -0.000 0.000 0.249 160 N C 0.920 176.533 175.510 0.171 0.000 1.048 160 N CA 1.645 54.817 53.050 0.204 0.000 0.714 160 N CB -0.933 37.647 38.487 0.155 0.000 0.959 160 N HN 0.942 nan 8.380 nan 0.000 0.544 161 G N -1.092 107.829 108.800 0.203 0.000 2.234 161 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.235 161 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.235 161 G C -0.008 175.067 174.900 0.293 0.000 0.997 161 G CA 0.323 45.522 45.100 0.165 0.000 0.623 161 G HN 0.671 nan 8.290 nan 0.000 0.514 162 N N 0.884 119.748 118.700 0.273 0.000 2.422 162 N HA 0.485 5.224 4.740 -0.000 0.000 0.264 162 N C 0.357 175.970 175.510 0.172 0.000 1.063 162 N CA -0.510 52.667 53.050 0.212 0.000 0.959 162 N CB 0.537 39.102 38.487 0.128 0.000 1.087 162 N HN 0.281 nan 8.380 nan 0.000 0.483 163 L N 5.356 126.609 121.223 0.049 0.000 2.477 163 L HA 0.060 4.400 4.340 -0.000 0.000 0.272 163 L C 0.880 177.624 176.870 -0.210 0.000 1.157 163 L CA 0.012 54.653 54.840 -0.332 0.000 0.889 163 L CB 0.421 42.295 42.059 -0.308 0.000 1.158 163 L HN 0.729 nan 8.230 nan 0.000 0.473 164 L N 4.689 125.758 121.223 -0.257 0.000 2.221 164 L HA 0.313 4.653 4.340 -0.000 0.000 0.202 164 L C 0.931 177.710 176.870 -0.152 0.000 1.074 164 L CA 0.569 55.297 54.840 -0.187 0.000 0.795 164 L CB -0.116 41.792 42.059 -0.251 0.000 0.960 164 L HN 0.779 nan 8.230 nan 0.000 0.458 165 G N -1.324 107.393 108.800 -0.140 0.000 2.325 165 G HA2 0.425 4.385 3.960 -0.000 0.000 0.297 165 G HA3 0.425 4.385 3.960 -0.000 0.000 0.297 165 G C -1.379 173.598 174.900 0.128 0.000 1.448 165 G CA -0.172 44.920 45.100 -0.013 0.000 0.838 165 G HN 0.142 nan 8.290 nan 0.000 0.579 166 G N -1.704 107.183 108.800 0.145 0.000 2.932 166 G HA2 0.505 4.465 3.960 -0.000 0.000 0.283 166 G HA3 0.505 4.465 3.960 -0.000 0.000 0.283 166 G C 0.190 175.145 174.900 0.091 0.000 1.336 166 G CA -0.347 44.820 45.100 0.111 0.000 1.056 166 G HN 0.634 nan 8.290 nan 0.000 0.522 167 Y N 0.023 120.133 120.300 -0.316 0.000 2.337 167 Y HA 0.147 4.697 4.550 -0.000 0.000 0.293 167 Y C 1.814 177.683 175.900 -0.052 0.000 1.123 167 Y CA 1.016 58.907 58.100 -0.348 0.000 1.201 167 Y CB 0.043 38.226 38.460 -0.462 0.000 1.011 167 Y HN 0.296 nan 8.280 nan 0.000 0.545 168 T N 1.641 116.186 114.554 -0.015 0.000 2.869 168 T HA 0.106 4.456 4.350 -0.000 0.000 0.295 168 T C 0.016 174.670 174.700 -0.076 0.000 0.987 168 T CA -0.071 61.986 62.100 -0.072 0.000 1.109 168 T CB 0.470 69.325 68.868 -0.021 0.000 0.932 168 T HN 0.367 nan 8.240 nan 0.000 0.518 169 N N 1.798 120.421 118.700 -0.129 0.000 2.758 169 N HA -0.162 4.577 4.740 -0.000 0.000 0.248 169 N C -0.872 174.590 175.510 -0.080 0.000 1.076 169 N CA 0.302 53.287 53.050 -0.108 0.000 0.696 169 N CB -0.739 37.708 38.487 -0.066 0.000 0.979 169 N HN 0.641 nan 8.380 nan 0.000 0.550 170 D N -0.491 119.845 120.400 -0.106 0.000 2.551 170 D HA 0.146 4.786 4.640 -0.000 0.000 0.223 170 D C 1.427 177.691 176.300 -0.060 0.000 1.144 170 D CA 0.536 54.534 54.000 -0.004 0.000 1.025 170 D CB -0.106 40.794 40.800 0.167 0.000 1.085 170 D HN 0.403 nan 8.370 nan 0.000 0.506 171 T N -0.370 114.149 114.554 -0.057 0.000 3.007 171 T HA -0.169 4.181 4.350 -0.000 0.000 0.270 171 T C 1.391 176.062 174.700 -0.048 0.000 1.107 171 T CA 0.903 62.964 62.100 -0.064 0.000 1.118 171 T CB -0.095 68.740 68.868 -0.054 0.000 0.889 171 T HN 0.341 nan 8.240 nan 0.000 0.506 172 Q N 0.733 120.512 119.800 -0.036 0.000 2.392 172 Q HA 0.243 4.583 4.340 -0.000 0.000 0.203 172 Q C -0.022 175.951 176.000 -0.045 0.000 0.917 172 Q CA -0.355 55.422 55.803 -0.043 0.000 0.939 172 Q CB 0.119 28.823 28.738 -0.058 0.000 1.063 172 Q HN 0.476 nan 8.270 nan 0.000 0.516 173 N N 0.985 119.674 118.700 -0.018 0.000 2.696 173 N HA -0.197 4.543 4.740 -0.000 0.000 0.256 173 N C 0.147 175.607 175.510 -0.084 0.000 1.031 173 N CA 0.278 53.333 53.050 0.008 0.000 0.730 173 N CB -0.819 37.667 38.487 -0.002 0.000 0.894 173 N HN 0.377 nan 8.380 nan 0.000 0.544 174 L N -1.415 119.708 121.223 -0.167 0.000 2.395 174 L HA 0.102 4.442 4.340 -0.000 0.000 0.218 174 L C 0.560 176.985 176.870 -0.741 0.000 1.130 174 L CA 1.022 55.554 54.840 -0.512 0.000 0.826 174 L CB -0.060 41.539 42.059 -0.766 0.000 0.941 174 L HN 0.134 nan 8.230 nan 0.000 0.451 175 F N -2.491 117.373 119.950 -0.143 0.000 2.593 175 F HA 0.377 4.904 4.527 -0.000 0.000 0.320 175 F C 0.317 175.916 175.800 -0.335 0.000 1.060 175 F CA -0.966 56.883 58.000 -0.252 0.000 0.940 175 F CB 1.002 39.936 39.000 -0.111 0.000 1.268 175 F HN -0.210 nan 8.300 nan 0.000 0.475 176 H N -0.502 118.522 119.070 -0.076 0.000 2.610 176 H HA 0.289 4.845 4.556 -0.000 0.000 0.336 176 H C -0.995 174.051 175.328 -0.470 0.000 1.087 176 H CA -0.312 55.629 56.048 -0.177 0.000 1.405 176 H CB 0.619 30.448 29.762 0.111 0.000 1.460 176 H HN 0.542 nan 8.280 nan 0.000 0.538 177 H N 3.241 122.099 119.070 -0.353 0.000 2.386 177 H HA 0.115 4.671 4.556 -0.000 0.000 0.232 177 H C -0.781 174.277 175.328 -0.450 0.000 1.416 177 H CA -0.074 55.769 56.048 -0.342 0.000 1.285 177 H CB 0.055 29.570 29.762 -0.411 0.000 1.625 177 H HN 0.669 nan 8.280 nan 0.000 0.521 178 Y N 0.003 120.342 120.300 0.065 0.000 2.557 178 Y HA 0.373 4.923 4.550 -0.000 0.000 0.247 178 Y C 1.495 177.380 175.900 -0.024 0.000 1.164 178 Y CA 0.201 58.294 58.100 -0.012 0.000 1.218 178 Y CB 0.843 39.262 38.460 -0.069 0.000 1.210 178 Y HN 0.639 nan 8.280 nan 0.000 0.529 179 G N 0.007 108.868 108.800 0.100 0.000 2.660 179 G HA2 0.065 4.025 3.960 -0.000 0.000 0.247 179 G HA3 0.065 4.025 3.960 -0.000 0.000 0.247 179 G C 0.057 174.953 174.900 -0.007 0.000 1.328 179 G CA -0.672 44.450 45.100 0.038 0.000 0.884 179 G HN 0.583 nan 8.290 nan 0.000 0.531 180 G N -1.063 107.693 108.800 -0.074 0.000 2.412 180 G HA2 0.701 4.661 3.960 -0.000 0.000 0.318 180 G HA3 0.701 4.661 3.960 -0.000 0.000 0.318 180 G C 0.270 175.019 174.900 -0.250 0.000 1.146 180 G CA 0.992 45.991 45.100 -0.169 0.000 0.882 180 G HN 1.377 nan 8.290 nan 0.000 0.501 181 T N -0.912 113.386 114.554 -0.427 0.000 2.899 181 T HA 0.242 4.592 4.350 -0.000 0.000 0.295 181 T C 0.873 175.198 174.700 -0.625 0.000 1.033 181 T CA 0.138 61.906 62.100 -0.554 0.000 1.084 181 T CB 0.860 69.244 68.868 -0.807 0.000 0.979 181 T HN 0.591 nan 8.240 nan 0.000 0.532 182 D N 1.865 122.000 120.400 -0.441 0.000 2.398 182 D HA 0.066 4.706 4.640 -0.000 0.000 0.210 182 D C 0.586 176.828 176.300 -0.098 0.000 1.094 182 D CA -0.332 53.521 54.000 -0.245 0.000 0.839 182 D CB -0.694 40.046 40.800 -0.100 0.000 0.963 182 D HN 0.663 nan 8.370 nan 0.000 0.506 183 F N 0.473 120.363 119.950 -0.100 0.000 3.034 183 F HA -0.314 4.213 4.527 -0.000 0.000 0.286 183 F C 1.824 177.597 175.800 -0.046 0.000 0.804 183 F CA 0.603 58.559 58.000 -0.072 0.000 1.161 183 F CB -2.439 36.519 39.000 -0.069 0.000 1.317 183 F HN 0.150 nan 8.300 nan 0.000 0.453 184 S N -1.459 114.271 115.700 0.050 0.000 2.387 184 S HA 0.040 4.510 4.470 -0.000 0.000 0.226 184 S C 0.981 175.596 174.600 0.025 0.000 1.026 184 S CA 1.139 59.360 58.200 0.035 0.000 0.972 184 S CB -0.054 63.141 63.200 -0.009 0.000 0.814 184 S HN 0.559 nan 8.310 nan 0.000 0.477 185 T N -2.042 112.507 114.554 -0.008 0.000 2.901 185 T HA 0.650 5.000 4.350 -0.000 0.000 0.293 185 T C 0.939 175.621 174.700 -0.030 0.000 1.084 185 T CA -0.873 61.218 62.100 -0.015 0.000 1.008 185 T CB 1.008 69.838 68.868 -0.062 0.000 1.170 185 T HN 0.032 nan 8.240 nan 0.000 0.509 186 I N 0.436 120.999 120.570 -0.012 0.000 2.226 186 I HA -0.116 4.054 4.170 -0.000 0.000 0.245 186 I C 2.819 178.810 176.117 -0.209 0.000 1.100 186 I CA 1.567 62.844 61.300 -0.037 0.000 1.374 186 I CB -0.273 37.806 38.000 0.132 0.000 1.057 186 I HN 0.903 nan 8.210 nan 0.000 0.413 187 E N 1.374 121.336 120.200 -0.397 0.000 2.058 187 E HA -0.304 4.046 4.350 -0.000 0.000 0.194 187 E C 2.081 178.525 176.600 -0.261 0.000 0.997 187 E CA 1.509 57.520 56.400 -0.649 0.000 0.801 187 E CB -0.158 29.038 29.700 -0.839 0.000 0.746 187 E HN 0.398 nan 8.360 nan 0.000 0.450 188 N N 0.099 118.682 118.700 -0.196 0.000 2.069 188 N HA -0.147 4.592 4.740 -0.000 0.000 0.191 188 N C 1.948 177.362 175.510 -0.161 0.000 1.031 188 N CA 1.662 54.620 53.050 -0.153 0.000 0.852 188 N CB -0.416 37.988 38.487 -0.140 0.000 1.018 188 N HN 0.259 nan 8.380 nan 0.000 0.423 189 G N 0.488 109.212 108.800 -0.126 0.000 2.509 189 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.218 189 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.218 189 G C 1.719 176.627 174.900 0.012 0.000 1.124 189 G CA 0.187 45.264 45.100 -0.039 0.000 0.776 189 G HN 0.340 nan 8.290 nan 0.000 0.547 190 I N -1.410 119.058 120.570 -0.171 0.000 2.400 190 I HA 0.041 4.211 4.170 -0.000 0.000 0.248 190 I C 1.798 177.662 176.117 -0.423 0.000 1.109 190 I CA 0.705 61.790 61.300 -0.358 0.000 1.425 190 I CB 0.109 37.705 38.000 -0.673 0.000 1.094 190 I HN 0.111 nan 8.210 nan 0.000 0.425 191 Y N 0.620 120.848 120.300 -0.119 0.000 2.458 191 Y HA 0.255 4.805 4.550 -0.000 0.000 0.254 191 Y C 0.888 176.726 175.900 -0.103 0.000 1.120 191 Y CA -0.198 57.767 58.100 -0.225 0.000 1.282 191 Y CB 0.122 38.324 38.460 -0.431 0.000 1.109 191 Y HN -0.119 nan 8.280 nan 0.000 0.526 192 K N 0.892 121.301 120.400 0.015 0.000 2.106 192 K HA 0.223 4.543 4.320 -0.000 0.000 0.246 192 K C -0.477 176.084 176.600 -0.066 0.000 0.987 192 K CA -0.962 55.327 56.287 0.004 0.000 0.904 192 K CB 0.579 33.017 32.500 -0.104 0.000 1.071 192 K HN -0.055 nan 8.250 nan 0.000 0.453 193 N N 1.472 120.121 118.700 -0.084 0.000 2.518 193 N HA 0.082 4.822 4.740 -0.000 0.000 0.266 193 N C -0.415 174.899 175.510 -0.325 0.000 1.196 193 N CA -0.002 52.955 53.050 -0.154 0.000 0.947 193 N CB 0.358 38.756 38.487 -0.149 0.000 1.098 193 N HN 0.323 nan 8.380 nan 0.000 0.450 194 L N 4.195 125.199 121.223 -0.364 0.000 2.325 194 L HA 0.111 4.451 4.340 -0.000 0.000 0.284 194 L C 0.217 176.822 176.870 -0.441 0.000 1.089 194 L CA -0.052 54.435 54.840 -0.588 0.000 0.836 194 L CB -0.422 41.345 42.059 -0.486 0.000 1.184 194 L HN 0.536 nan 8.230 nan 0.000 0.444 195 Y N 1.364 121.551 120.300 -0.189 0.000 2.865 195 Y HA -0.433 4.117 4.550 -0.000 0.000 0.468 195 Y C 1.341 177.142 175.900 -0.165 0.000 1.177 195 Y CA 1.313 59.324 58.100 -0.149 0.000 2.596 195 Y CB -1.071 37.315 38.460 -0.125 0.000 1.207 195 Y HN 0.831 nan 8.280 nan 0.000 0.627 196 D N 0.656 121.070 120.400 0.022 0.000 2.501 196 D HA 0.257 4.897 4.640 -0.000 0.000 0.224 196 D C -0.286 175.909 176.300 -0.175 0.000 1.202 196 D CA 0.037 53.987 54.000 -0.083 0.000 0.829 196 D CB -0.587 40.198 40.800 -0.025 0.000 1.023 196 D HN 0.400 nan 8.370 nan 0.000 0.499 197 L N 1.305 122.418 121.223 -0.184 0.000 2.360 197 L HA 0.393 4.733 4.340 -0.000 0.000 0.276 197 L C 0.704 177.404 176.870 -0.284 0.000 1.121 197 L CA -0.814 53.877 54.840 -0.248 0.000 0.845 197 L CB 0.889 42.744 42.059 -0.339 0.000 1.143 197 L HN 0.030 nan 8.230 nan 0.000 0.452 198 A N 2.986 125.583 122.820 -0.372 0.000 2.476 198 A HA 0.036 4.356 4.320 -0.000 0.000 0.275 198 A C -0.058 177.494 177.584 -0.053 0.000 1.133 198 A CA -0.294 51.418 52.037 -0.542 0.000 0.797 198 A CB -0.340 18.167 19.000 -0.821 0.000 1.081 198 A HN 0.720 nan 8.150 nan 0.000 0.510 199 D N 2.507 122.901 120.400 -0.009 0.000 2.371 199 D HA 0.322 4.961 4.640 -0.000 0.000 0.256 199 D C 0.107 176.404 176.300 -0.005 0.000 1.193 199 D CA 0.346 54.381 54.000 0.058 0.000 0.881 199 D CB 0.326 41.188 40.800 0.103 0.000 1.143 199 D HN 0.481 nan 8.370 nan 0.000 0.473 200 L N 3.383 124.502 121.223 -0.173 0.000 2.417 200 L HA 0.171 4.511 4.340 -0.000 0.000 0.268 200 L C 0.663 176.977 176.870 -0.927 0.000 1.158 200 L CA -0.389 54.137 54.840 -0.524 0.000 0.819 200 L CB 0.513 42.208 42.059 -0.606 0.000 1.112 200 L HN 0.401 nan 8.230 nan 0.000 0.458 201 N N 0.759 118.931 118.700 -0.880 0.000 2.558 201 N HA 0.123 4.863 4.740 -0.000 0.000 0.233 201 N C 0.409 175.556 175.510 -0.605 0.000 1.038 201 N CA -0.201 52.401 53.050 -0.748 0.000 0.934 201 N CB 0.380 38.618 38.487 -0.415 0.000 1.175 201 N HN 0.427 nan 8.380 nan 0.000 0.512 202 H N 1.122 119.946 119.070 -0.409 0.000 2.555 202 H HA 0.046 4.602 4.556 -0.000 0.000 0.269 202 H C 1.109 176.307 175.328 -0.217 0.000 0.988 202 H CA 0.474 56.186 56.048 -0.561 0.000 1.178 202 H CB 0.303 29.347 29.762 -1.196 0.000 1.373 202 H HN 0.512 nan 8.280 nan 0.000 0.588 203 N N 0.660 119.381 118.700 0.035 0.000 2.463 203 N HA -0.112 4.628 4.740 -0.000 0.000 0.181 203 N C 0.173 175.715 175.510 0.053 0.000 1.078 203 N CA -0.006 53.110 53.050 0.109 0.000 0.902 203 N CB 0.098 38.684 38.487 0.164 0.000 0.970 203 N HN 0.169 nan 8.380 nan 0.000 0.451 204 N N 0.292 118.975 118.700 -0.027 0.000 2.442 204 N HA 0.030 4.770 4.740 -0.000 0.000 0.265 204 N C 0.221 175.726 175.510 -0.008 0.000 1.138 204 N CA 0.204 53.230 53.050 -0.040 0.000 0.956 204 N CB 1.043 39.455 38.487 -0.124 0.000 1.067 204 N HN 0.023 nan 8.380 nan 0.000 0.474 205 S N 2.292 118.011 115.700 0.030 0.000 2.387 205 S HA -0.130 4.339 4.470 -0.000 0.000 0.230 205 S C 1.788 176.423 174.600 0.058 0.000 1.035 205 S CA 1.269 59.507 58.200 0.063 0.000 1.014 205 S CB 0.017 63.254 63.200 0.062 0.000 0.836 205 S HN 0.670 nan 8.310 nan 0.000 0.466 206 S N 0.763 116.472 115.700 0.015 0.000 2.368 206 S HA -0.048 4.422 4.470 -0.000 0.000 0.225 206 S C 1.986 176.597 174.600 0.019 0.000 1.030 206 S CA 0.976 59.183 58.200 0.011 0.000 0.999 206 S CB -0.300 62.874 63.200 -0.044 0.000 0.844 206 S HN 0.336 nan 8.310 nan 0.000 0.459 207 V N 1.937 121.817 119.914 -0.056 0.000 2.358 207 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 207 V C 2.234 178.376 176.094 0.081 0.000 1.047 207 V CA 2.092 64.344 62.300 -0.079 0.000 1.035 207 V CB -0.712 30.936 31.823 -0.292 0.000 0.658 207 V HN 0.478 nan 8.190 nan 0.000 0.452 208 D N 0.091 120.562 120.400 0.119 0.000 2.092 208 D HA -0.178 4.462 4.640 -0.000 0.000 0.193 208 D C 1.996 178.500 176.300 0.341 0.000 0.994 208 D CA 1.878 56.077 54.000 0.332 0.000 0.828 208 D CB -0.135 40.868 40.800 0.339 0.000 0.963 208 D HN 0.184 nan 8.370 nan 0.000 0.450 209 V N -0.173 119.879 119.914 0.231 0.000 2.407 209 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 209 V C 2.108 178.325 176.094 0.205 0.000 1.055 209 V CA 1.843 64.255 62.300 0.188 0.000 1.049 209 V CB -0.887 31.017 31.823 0.136 0.000 0.662 209 V HN 0.356 nan 8.190 nan 0.000 0.455 210 Y N 0.561 120.915 120.300 0.091 0.000 2.145 210 Y HA -0.206 4.343 4.550 -0.000 0.000 0.286 210 Y C 2.169 178.148 175.900 0.131 0.000 1.145 210 Y CA 1.731 59.883 58.100 0.086 0.000 1.148 210 Y CB -0.262 38.221 38.460 0.040 0.000 0.981 210 Y HN 0.151 nan 8.280 nan 0.000 0.507 211 L N 0.038 121.353 121.223 0.153 0.000 2.141 211 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 211 L C 2.355 179.410 176.870 0.308 0.000 1.094 211 L CA 1.402 56.326 54.840 0.141 0.000 0.763 211 L CB -0.387 41.839 42.059 0.278 0.000 0.908 211 L HN 0.152 nan 8.230 nan 0.000 0.437 212 K N -0.393 120.185 120.400 0.296 0.000 2.103 212 K HA -0.119 4.201 4.320 -0.000 0.000 0.204 212 K C 1.612 178.220 176.600 0.013 0.000 1.052 212 K CA 1.051 57.449 56.287 0.185 0.000 0.945 212 K CB -0.015 32.580 32.500 0.158 0.000 0.722 212 K HN 0.197 nan 8.250 nan 0.000 0.443 213 D N 0.762 121.158 120.400 -0.006 0.000 2.144 213 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 213 D C 1.795 178.046 176.300 -0.082 0.000 0.978 213 D CA 1.101 55.059 54.000 -0.070 0.000 0.833 213 D CB -0.076 40.700 40.800 -0.041 0.000 0.961 213 D HN 0.177 nan 8.370 nan 0.000 0.470 214 A N 0.708 123.485 122.820 -0.072 0.000 1.898 214 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 214 A C 2.196 179.888 177.584 0.180 0.000 1.181 214 A CA 0.814 52.880 52.037 0.047 0.000 0.620 214 A CB -0.568 18.493 19.000 0.100 0.000 0.819 214 A HN 0.187 nan 8.150 nan 0.000 0.442 215 I N -0.120 120.491 120.570 0.068 0.000 2.315 215 I HA -0.164 4.006 4.170 -0.000 0.000 0.248 215 I C 2.106 178.189 176.117 -0.056 0.000 1.117 215 I CA 1.493 62.715 61.300 -0.130 0.000 1.404 215 I CB -0.282 37.491 38.000 -0.379 0.000 1.071 215 I HN 0.247 nan 8.210 nan 0.000 0.419 216 K N -0.409 119.926 120.400 -0.109 0.000 2.097 216 K HA -0.214 4.106 4.320 -0.000 0.000 0.206 216 K C 2.168 178.751 176.600 -0.029 0.000 1.049 216 K CA 1.856 58.069 56.287 -0.123 0.000 0.933 216 K CB -0.329 31.930 32.500 -0.402 0.000 0.717 216 K HN 0.394 nan 8.250 nan 0.000 0.442 217 M N -0.240 119.298 119.600 -0.104 0.000 2.080 217 M HA -0.204 4.275 4.480 -0.000 0.000 0.260 217 M C 1.456 177.607 176.300 -0.249 0.000 1.068 217 M CA 1.878 57.055 55.300 -0.205 0.000 1.109 217 M CB -0.182 32.206 32.600 -0.353 0.000 1.342 217 M HN 0.215 nan 8.290 nan 0.000 0.405 218 W N 0.495 121.805 121.300 0.017 0.000 2.402 218 W HA -0.097 4.563 4.660 -0.000 0.000 0.286 218 W C 2.026 178.597 176.519 0.086 0.000 1.221 218 W CA 0.655 58.024 57.345 0.039 0.000 1.257 218 W CB -0.410 29.056 29.460 0.010 0.000 1.120 218 W HN 0.214 nan 8.180 nan 0.000 0.551 219 L N -0.211 121.142 121.223 0.217 0.000 2.056 219 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 219 L C 1.895 178.866 176.870 0.168 0.000 1.078 219 L CA 1.102 56.056 54.840 0.190 0.000 0.749 219 L CB -0.773 41.403 42.059 0.194 0.000 0.901 219 L HN -0.116 nan 8.230 nan 0.000 0.433 220 D N 0.274 120.765 120.400 0.153 0.000 2.218 220 D HA -0.120 4.520 4.640 -0.000 0.000 0.204 220 D C 2.100 178.453 176.300 0.088 0.000 0.976 220 D CA 1.092 55.158 54.000 0.110 0.000 0.853 220 D CB -0.033 40.817 40.800 0.082 0.000 0.939 220 D HN 0.311 nan 8.370 nan 0.000 0.481 221 L N -0.676 120.614 121.223 0.111 0.000 2.599 221 L HA 0.164 4.503 4.340 -0.000 0.000 0.230 221 L C 1.379 178.367 176.870 0.197 0.000 1.141 221 L CA 0.356 55.292 54.840 0.160 0.000 0.877 221 L CB -0.081 42.114 42.059 0.227 0.000 1.009 221 L HN 0.117 nan 8.230 nan 0.000 0.447 222 G N 0.289 109.200 108.800 0.184 0.000 2.144 222 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.218 222 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.218 222 G C 0.336 175.370 174.900 0.223 0.000 0.988 222 G CA 0.033 45.244 45.100 0.185 0.000 0.659 222 G HN 0.194 nan 8.290 nan 0.000 0.522 223 V N -2.016 118.054 119.914 0.260 0.000 2.963 223 V HA 0.535 4.655 4.120 -0.000 0.000 0.306 223 V C 0.856 177.102 176.094 0.253 0.000 1.077 223 V CA 0.713 63.171 62.300 0.263 0.000 1.124 223 V CB 1.286 33.304 31.823 0.325 0.000 0.987 223 V HN 0.143 nan 8.190 nan 0.000 0.487 224 D N 2.141 122.717 120.400 0.294 0.000 2.407 224 D HA 0.330 4.970 4.640 -0.000 0.000 0.208 224 D C 0.657 177.203 176.300 0.409 0.000 1.083 224 D CA 1.127 55.339 54.000 0.353 0.000 0.844 224 D CB 1.364 42.410 40.800 0.409 0.000 0.967 224 D HN 0.934 nan 8.370 nan 0.000 0.506 225 G N 0.448 109.412 108.800 0.274 0.000 2.623 225 G HA2 0.608 4.568 3.960 -0.000 0.000 0.290 225 G HA3 0.608 4.568 3.960 -0.000 0.000 0.290 225 G C -1.723 173.194 174.900 0.029 0.000 1.437 225 G CA -0.621 44.549 45.100 0.116 0.000 0.798 225 G HN -0.006 nan 8.290 nan 0.000 0.488 226 I N 0.452 120.956 120.570 -0.111 0.000 2.569 226 I HA 0.495 4.665 4.170 -0.000 0.000 0.290 226 I C -0.504 175.323 176.117 -0.484 0.000 1.088 226 I CA -0.932 60.264 61.300 -0.173 0.000 1.047 226 I CB 2.500 40.435 38.000 -0.108 0.000 1.237 226 I HN 0.263 nan 8.210 nan 0.000 0.421 227 R N 5.760 125.914 120.500 -0.577 0.000 2.310 227 R HA 0.558 4.897 4.340 -0.000 0.000 0.324 227 R C -1.659 174.459 176.300 -0.304 0.000 0.955 227 R CA -0.604 54.909 56.100 -0.979 0.000 0.830 227 R CB 1.615 31.157 30.300 -1.263 0.000 1.154 227 R HN 0.431 nan 8.270 nan 0.000 0.458 228 V N 4.404 124.202 119.914 -0.194 0.000 2.432 228 V HA 0.089 4.208 4.120 -0.000 0.000 0.275 228 V C 0.411 176.553 176.094 0.080 0.000 1.043 228 V CA -0.675 61.665 62.300 0.067 0.000 0.925 228 V CB 1.367 33.288 31.823 0.163 0.000 0.985 228 V HN 0.682 nan 8.190 nan 0.000 0.466 229 D N 4.216 124.690 120.400 0.124 0.000 2.345 229 D HA 0.479 5.119 4.640 -0.000 0.000 0.247 229 D C 0.723 177.097 176.300 0.124 0.000 1.108 229 D CA 0.642 54.717 54.000 0.126 0.000 0.894 229 D CB 0.986 41.850 40.800 0.107 0.000 1.203 229 D HN 1.093 nan 8.370 nan 0.000 0.430 230 A N 2.457 125.358 122.820 0.135 0.000 2.687 230 A HA -0.175 4.145 4.320 -0.000 0.000 0.299 230 A C 1.503 179.130 177.584 0.072 0.000 1.497 230 A CA 0.926 53.059 52.037 0.161 0.000 0.751 230 A CB -2.407 16.731 19.000 0.230 0.000 1.048 230 A HN 1.113 nan 8.150 nan 0.000 0.464 231 V N -1.914 118.002 119.914 0.004 0.000 2.594 231 V HA -0.179 3.941 4.120 -0.000 0.000 0.253 231 V C 1.929 177.888 176.094 -0.225 0.000 1.069 231 V CA 2.493 64.750 62.300 -0.071 0.000 1.082 231 V CB -0.668 31.048 31.823 -0.178 0.000 0.680 231 V HN 0.665 nan 8.190 nan 0.000 0.469 232 K N -0.870 119.210 120.400 -0.533 0.000 2.442 232 K HA -0.106 4.214 4.320 -0.000 0.000 0.198 232 K C 1.335 177.496 176.600 -0.731 0.000 1.042 232 K CA 1.041 56.757 56.287 -0.952 0.000 0.958 232 K CB -0.095 31.483 32.500 -1.537 0.000 0.766 232 K HN 0.678 nan 8.250 nan 0.000 0.474 233 H N -1.088 117.905 119.070 -0.129 0.000 2.674 233 H HA 0.265 4.821 4.556 -0.000 0.000 0.274 233 H C -0.250 175.001 175.328 -0.128 0.000 1.121 233 H CA 0.010 55.977 56.048 -0.136 0.000 1.132 233 H CB 0.346 30.057 29.762 -0.085 0.000 1.606 233 H HN 0.093 nan 8.280 nan 0.000 0.558 234 M N 0.748 120.325 119.600 -0.038 0.000 2.591 234 M HA 0.369 4.849 4.480 -0.000 0.000 0.306 234 M C -2.654 173.578 176.300 -0.112 0.000 1.190 234 M CA -1.884 53.395 55.300 -0.036 0.000 0.889 234 M CB 2.873 35.508 32.600 0.058 0.000 1.728 234 M HN -0.222 nan 8.290 nan 0.000 0.458 235 P HA 0.030 nan 4.420 nan 0.000 0.267 235 P C -0.116 177.267 177.300 0.138 0.000 1.209 235 P CA 0.022 63.051 63.100 -0.118 0.000 0.763 235 P CB 0.154 31.898 31.700 0.072 0.000 0.816 236 F N 2.198 122.265 119.950 0.196 0.000 2.234 236 F HA -0.032 4.495 4.527 -0.000 0.000 0.299 236 F C 2.435 178.341 175.800 0.177 0.000 1.087 236 F CA 1.424 59.599 58.000 0.292 0.000 1.340 236 F CB -1.996 37.227 39.000 0.371 0.000 1.031 236 F HN 0.361 nan 8.300 nan 0.000 0.500 237 G N -1.339 107.598 108.800 0.229 0.000 2.408 237 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 237 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 237 G C 1.565 176.572 174.900 0.177 0.000 1.150 237 G CA 0.515 45.715 45.100 0.165 0.000 0.776 237 G HN 0.479 nan 8.290 nan 0.000 0.542 238 W N 1.249 122.599 121.300 0.083 0.000 2.409 238 W HA 0.004 4.663 4.660 -0.000 0.000 0.299 238 W C 2.720 179.294 176.519 0.092 0.000 1.203 238 W CA 1.445 58.830 57.345 0.066 0.000 1.298 238 W CB -0.054 29.398 29.460 -0.014 0.000 1.127 238 W HN 0.264 nan 8.180 nan 0.000 0.528 239 Q N 0.320 120.183 119.800 0.104 0.000 2.170 239 Q HA -0.252 4.087 4.340 -0.000 0.000 0.203 239 Q C 2.139 178.119 176.000 -0.034 0.000 0.976 239 Q CA 1.798 57.602 55.803 0.001 0.000 0.858 239 Q CB -0.403 28.538 28.738 0.339 0.000 0.907 239 Q HN 0.356 nan 8.270 nan 0.000 0.433 240 K N 0.788 121.186 120.400 -0.004 0.000 2.097 240 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 240 K C 2.237 178.773 176.600 -0.106 0.000 1.050 240 K CA 1.561 57.815 56.287 -0.055 0.000 0.938 240 K CB -0.020 32.471 32.500 -0.014 0.000 0.718 240 K HN 0.192 nan 8.250 nan 0.000 0.442 241 S N -0.158 115.451 115.700 -0.152 0.000 2.428 241 S HA -0.132 4.338 4.470 -0.000 0.000 0.230 241 S C 1.861 176.315 174.600 -0.242 0.000 1.014 241 S CA 0.483 58.583 58.200 -0.167 0.000 0.957 241 S CB -0.548 62.572 63.200 -0.132 0.000 0.784 241 S HN 0.406 nan 8.310 nan 0.000 0.499 242 F N 2.382 121.955 119.950 -0.629 0.000 2.113 242 F HA 0.062 4.589 4.527 -0.000 0.000 0.297 242 F C 2.292 177.900 175.800 -0.320 0.000 1.103 242 F CA 1.381 59.013 58.000 -0.614 0.000 1.248 242 F CB -0.355 38.056 39.000 -0.983 0.000 0.999 242 F HN 0.094 nan 8.300 nan 0.000 0.475 243 M N 0.436 119.913 119.600 -0.205 0.000 2.159 243 M HA -0.108 4.372 4.480 -0.000 0.000 0.263 243 M C 2.522 178.698 176.300 -0.206 0.000 1.063 243 M CA 1.578 56.743 55.300 -0.225 0.000 1.110 243 M CB -2.055 30.466 32.600 -0.131 0.000 1.374 243 M HN 0.304 nan 8.290 nan 0.000 0.411 244 A N -0.493 122.230 122.820 -0.162 0.000 1.972 244 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 244 A C 2.338 179.849 177.584 -0.122 0.000 1.169 244 A CA 2.142 54.107 52.037 -0.119 0.000 0.635 244 A CB -1.030 17.917 19.000 -0.087 0.000 0.810 244 A HN 0.480 nan 8.150 nan 0.000 0.446 245 T N 0.164 114.609 114.554 -0.181 0.000 2.737 245 T HA -0.070 4.280 4.350 -0.000 0.000 0.265 245 T C 1.794 176.396 174.700 -0.163 0.000 1.038 245 T CA 1.512 63.509 62.100 -0.172 0.000 1.144 245 T CB -0.354 68.380 68.868 -0.222 0.000 0.866 245 T HN 0.434 nan 8.240 nan 0.000 0.434 246 I N 1.445 121.849 120.570 -0.276 0.000 2.142 246 I HA -0.180 3.989 4.170 -0.000 0.000 0.240 246 I C 2.283 178.362 176.117 -0.065 0.000 1.078 246 I CA 1.410 62.594 61.300 -0.194 0.000 1.343 246 I CB -0.413 37.392 38.000 -0.324 0.000 1.046 246 I HN 0.302 nan 8.210 nan 0.000 0.405 247 N N 0.658 119.309 118.700 -0.082 0.000 2.223 247 N HA -0.144 4.596 4.740 -0.000 0.000 0.185 247 N C 1.205 176.714 175.510 -0.001 0.000 1.016 247 N CA 0.844 53.874 53.050 -0.033 0.000 0.863 247 N CB -0.076 38.385 38.487 -0.044 0.000 0.983 247 N HN 0.334 nan 8.380 nan 0.000 0.429 248 N N -0.467 118.236 118.700 0.005 0.000 2.412 248 N HA -0.050 4.690 4.740 -0.000 0.000 0.184 248 N C 0.669 176.227 175.510 0.081 0.000 1.101 248 N CA 0.351 53.418 53.050 0.030 0.000 0.881 248 N CB 0.147 38.646 38.487 0.020 0.000 0.969 248 N HN 0.444 nan 8.380 nan 0.000 0.459 249 Y N 0.601 120.866 120.300 -0.058 0.000 2.331 249 Y HA 0.271 4.820 4.550 -0.000 0.000 0.282 249 Y C -0.158 175.721 175.900 -0.035 0.000 1.140 249 Y CA 0.458 58.528 58.100 -0.049 0.000 1.198 249 Y CB 0.700 39.120 38.460 -0.068 0.000 1.159 249 Y HN -0.301 nan 8.280 nan 0.000 0.512 250 K N 2.079 122.392 120.400 -0.146 0.000 2.803 250 K HA 0.271 4.590 4.320 -0.000 0.000 0.229 250 K C -2.933 173.641 176.600 -0.043 0.000 1.084 250 K CA -2.074 54.093 56.287 -0.201 0.000 1.063 250 K CB 1.718 34.048 32.500 -0.282 0.000 1.254 250 K HN 0.057 nan 8.250 nan 0.000 0.551 251 P HA 0.020 nan 4.420 nan 0.000 0.271 251 P C -0.344 176.985 177.300 0.049 0.000 1.226 251 P CA -0.240 62.868 63.100 0.012 0.000 0.765 251 P CB 1.024 32.740 31.700 0.027 0.000 0.835 252 V N 1.202 121.154 119.914 0.062 0.000 3.078 252 V HA 0.507 4.627 4.120 -0.000 0.000 0.311 252 V C -0.444 175.740 176.094 0.150 0.000 1.138 252 V CA -1.548 60.834 62.300 0.137 0.000 1.007 252 V CB 1.810 33.712 31.823 0.131 0.000 1.045 252 V HN 0.376 nan 8.190 nan 0.000 0.432 253 F N 2.199 122.174 119.950 0.042 0.000 2.590 253 F HA 0.496 5.022 4.527 -0.000 0.000 0.389 253 F C 0.366 176.127 175.800 -0.065 0.000 1.049 253 F CA 1.043 59.007 58.000 -0.060 0.000 1.199 253 F CB 0.322 39.154 39.000 -0.279 0.000 1.058 253 F HN 0.775 nan 8.300 nan 0.000 0.556 254 T N 7.965 122.231 114.554 -0.480 0.000 2.848 254 T HA 0.555 4.905 4.350 -0.000 0.000 0.285 254 T C -1.050 173.401 174.700 -0.415 0.000 0.995 254 T CA -0.380 61.488 62.100 -0.387 0.000 0.970 254 T CB 1.101 69.851 68.868 -0.197 0.000 0.976 254 T HN 0.483 nan 8.240 nan 0.000 0.441 255 F N -0.436 119.168 119.950 -0.576 0.000 2.613 255 F HA 0.931 5.458 4.527 -0.000 0.000 0.314 255 F C 0.001 175.714 175.800 -0.145 0.000 1.075 255 F CA -1.249 56.511 58.000 -0.400 0.000 0.945 255 F CB 1.275 39.950 39.000 -0.542 0.000 1.310 255 F HN 0.746 nan 8.300 nan 0.000 0.467 256 G N 0.093 108.949 108.800 0.095 0.000 2.600 256 G HA2 0.516 4.476 3.960 -0.000 0.000 0.303 256 G HA3 0.516 4.476 3.960 -0.000 0.000 0.303 256 G C -2.138 172.904 174.900 0.236 0.000 1.253 256 G CA -0.907 44.259 45.100 0.110 0.000 0.974 256 G HN 0.911 nan 8.290 nan 0.000 0.483 257 E N 0.126 120.476 120.200 0.250 0.000 2.109 257 E HA 0.304 4.654 4.350 -0.000 0.000 0.278 257 E C -1.400 175.412 176.600 0.352 0.000 0.954 257 E CA -0.914 55.728 56.400 0.403 0.000 0.779 257 E CB 1.179 31.133 29.700 0.422 0.000 1.093 257 E HN 0.441 nan 8.360 nan 0.000 0.401 258 W N 8.045 129.448 121.300 0.171 0.000 2.543 258 W HA 0.285 4.945 4.660 -0.000 0.000 0.318 258 W C -1.915 174.564 176.519 -0.066 0.000 1.002 258 W CA -1.470 55.907 57.345 0.053 0.000 1.302 258 W CB 0.556 30.045 29.460 0.048 0.000 1.299 258 W HN 0.512 nan 8.180 nan 0.000 0.424 259 F N 6.348 126.201 119.950 -0.162 0.000 2.484 259 F HA 0.450 4.977 4.527 -0.000 0.000 0.360 259 F C -0.616 175.000 175.800 -0.308 0.000 1.101 259 F CA 0.453 58.030 58.000 -0.705 0.000 1.251 259 F CB 0.659 39.384 39.000 -0.460 0.000 1.132 259 F HN 0.180 nan 8.300 nan 0.000 0.570 260 L N 5.326 125.896 121.223 -1.087 0.000 2.401 260 L HA 0.576 4.916 4.340 -0.000 0.000 0.266 260 L C 0.374 176.863 176.870 -0.636 0.000 0.991 260 L CA -0.938 53.606 54.840 -0.494 0.000 0.818 260 L CB 1.823 43.641 42.059 -0.402 0.000 1.321 260 L HN 0.770 nan 8.230 nan 0.000 0.413 261 G N 0.891 109.589 108.800 -0.171 0.000 2.537 261 G HA2 0.473 4.432 3.960 -0.000 0.000 0.297 261 G HA3 0.473 4.432 3.960 -0.000 0.000 0.297 261 G C -0.357 174.528 174.900 -0.026 0.000 1.310 261 G CA -0.587 44.510 45.100 -0.006 0.000 1.027 261 G HN 0.270 nan 8.290 nan 0.000 0.505 262 V N 1.046 120.979 119.914 0.031 0.000 2.540 262 V HA 0.018 4.138 4.120 -0.000 0.000 0.297 262 V C 0.979 177.075 176.094 0.003 0.000 1.024 262 V CA 1.065 63.375 62.300 0.017 0.000 1.105 262 V CB -0.003 31.837 31.823 0.030 0.000 0.938 262 V HN 0.987 nan 8.190 nan 0.000 0.482 263 N N 1.280 119.974 118.700 -0.010 0.000 2.753 263 N HA -0.214 4.526 4.740 -0.000 0.000 0.251 263 N C 0.314 175.814 175.510 -0.017 0.000 1.097 263 N CA 1.166 54.208 53.050 -0.012 0.000 0.786 263 N CB -0.493 37.991 38.487 -0.006 0.000 1.137 263 N HN 0.907 nan 8.380 nan 0.000 0.566 264 E N 0.969 121.149 120.200 -0.033 0.000 2.194 264 E HA 0.402 4.752 4.350 -0.000 0.000 0.284 264 E C -0.900 175.649 176.600 -0.085 0.000 1.035 264 E CA -0.456 55.919 56.400 -0.042 0.000 0.836 264 E CB 0.573 30.248 29.700 -0.042 0.000 1.070 264 E HN 0.127 nan 8.360 nan 0.000 0.401 265 I N 3.420 123.958 120.570 -0.053 0.000 2.465 265 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 265 I C -0.430 175.676 176.117 -0.019 0.000 1.014 265 I CA -0.284 60.983 61.300 -0.054 0.000 1.093 265 I CB 2.008 40.008 38.000 0.001 0.000 1.267 265 I HN 0.358 nan 8.210 nan 0.000 0.431 266 S N 6.650 122.325 115.700 -0.042 0.000 2.502 266 S HA 0.603 5.073 4.470 -0.000 0.000 0.304 266 S C -2.222 172.444 174.600 0.110 0.000 1.097 266 S CA -1.438 56.781 58.200 0.032 0.000 1.045 266 S CB 1.727 64.940 63.200 0.022 0.000 1.019 266 S HN 0.307 nan 8.310 nan 0.000 0.481 267 P HA -0.053 nan 4.420 nan 0.000 0.215 267 P C 0.848 178.202 177.300 0.091 0.000 1.157 267 P CA 1.159 64.331 63.100 0.120 0.000 0.863 267 P CB 0.159 31.921 31.700 0.102 0.000 0.787 268 E N -1.657 118.600 120.200 0.095 0.000 2.077 268 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 268 E C 1.971 178.354 176.600 -0.361 0.000 0.989 268 E CA 1.095 57.529 56.400 0.057 0.000 0.800 268 E CB -1.148 28.758 29.700 0.343 0.000 0.746 268 E HN 0.345 nan 8.360 nan 0.000 0.452 269 Y N 0.930 120.728 120.300 -0.838 0.000 2.097 269 Y HA -0.297 4.253 4.550 -0.000 0.000 0.282 269 Y C 2.258 177.742 175.900 -0.692 0.000 1.152 269 Y CA 1.998 59.269 58.100 -1.382 0.000 1.136 269 Y CB -0.234 37.498 38.460 -1.213 0.000 0.975 269 Y HN 0.168 nan 8.280 nan 0.000 0.498 270 H N 0.114 119.123 119.070 -0.103 0.000 2.387 270 H HA -0.143 4.413 4.556 -0.000 0.000 0.299 270 H C 2.162 177.414 175.328 -0.127 0.000 1.090 270 H CA 1.908 57.878 56.048 -0.130 0.000 1.332 270 H CB -0.169 29.530 29.762 -0.104 0.000 1.386 270 H HN 0.585 nan 8.280 nan 0.000 0.516 271 Q N -0.419 119.379 119.800 -0.002 0.000 2.084 271 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 271 Q C 2.183 178.146 176.000 -0.063 0.000 0.978 271 Q CA 1.214 57.013 55.803 -0.007 0.000 0.844 271 Q CB -0.196 28.562 28.738 0.034 0.000 0.898 271 Q HN 0.320 nan 8.270 nan 0.000 0.426 272 F N 0.878 120.651 119.950 -0.295 0.000 2.102 272 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 272 F C 2.175 177.843 175.800 -0.219 0.000 1.105 272 F CA 1.394 59.206 58.000 -0.312 0.000 1.239 272 F CB -0.224 38.486 39.000 -0.484 0.000 0.991 272 F HN 0.024 nan 8.300 nan 0.000 0.474 273 A N 0.193 122.939 122.820 -0.125 0.000 1.933 273 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 273 A C 1.891 179.432 177.584 -0.071 0.000 1.175 273 A CA 2.000 53.989 52.037 -0.081 0.000 0.628 273 A CB -0.767 18.258 19.000 0.042 0.000 0.814 273 A HN 0.513 nan 8.150 nan 0.000 0.444 274 N N -0.573 118.097 118.700 -0.049 0.000 2.416 274 N HA -0.003 4.737 4.740 -0.000 0.000 0.177 274 N C 0.970 176.431 175.510 -0.082 0.000 1.036 274 N CA 1.141 54.175 53.050 -0.028 0.000 0.901 274 N CB 0.028 38.520 38.487 0.010 0.000 0.976 274 N HN 0.696 nan 8.380 nan 0.000 0.444 275 E N -0.991 119.120 120.200 -0.149 0.000 2.641 275 E HA 0.114 4.464 4.350 -0.000 0.000 0.224 275 E C 1.054 177.514 176.600 -0.233 0.000 0.951 275 E CA -0.066 56.248 56.400 -0.145 0.000 1.102 275 E CB 0.519 30.171 29.700 -0.079 0.000 1.091 275 E HN 0.216 nan 8.360 nan 0.000 0.507 276 S N -0.622 114.819 115.700 -0.432 0.000 2.446 276 S HA 0.132 4.602 4.470 -0.000 0.000 0.225 276 S C 1.795 176.204 174.600 -0.318 0.000 1.016 276 S CA 0.662 58.543 58.200 -0.532 0.000 0.943 276 S CB 0.339 62.765 63.200 -1.289 0.000 0.786 276 S HN 0.310 nan 8.310 nan 0.000 0.508 277 G N 1.352 109.995 108.800 -0.262 0.000 2.195 277 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.224 277 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.224 277 G C -0.058 174.751 174.900 -0.153 0.000 0.990 277 G CA 0.099 45.094 45.100 -0.174 0.000 0.639 277 G HN 0.874 nan 8.290 nan 0.000 0.514 278 M N 0.197 119.680 119.600 -0.194 0.000 2.716 278 M HA 0.859 5.339 4.480 -0.000 0.000 0.307 278 M C 0.400 176.640 176.300 -0.100 0.000 1.223 278 M CA -0.248 54.977 55.300 -0.125 0.000 0.871 278 M CB 2.023 34.595 32.600 -0.047 0.000 1.739 278 M HN 0.498 nan 8.290 nan 0.000 0.475 279 S N 0.865 116.522 115.700 -0.072 0.000 2.677 279 S HA 0.876 5.345 4.470 -0.000 0.000 0.290 279 S C -0.708 173.929 174.600 0.062 0.000 1.124 279 S CA -0.736 57.446 58.200 -0.030 0.000 1.017 279 S CB 1.152 64.324 63.200 -0.046 0.000 1.215 279 S HN 0.653 nan 8.310 nan 0.000 0.524 280 L N -0.190 121.065 121.223 0.052 0.000 2.376 280 L HA 0.547 4.887 4.340 -0.000 0.000 0.258 280 L C -0.932 176.070 176.870 0.220 0.000 1.013 280 L CA -0.838 54.093 54.840 0.152 0.000 0.822 280 L CB 1.648 43.697 42.059 -0.017 0.000 1.388 280 L HN 0.764 nan 8.230 nan 0.000 0.413 281 L N 2.090 123.555 121.223 0.402 0.000 2.455 281 L HA 0.124 4.464 4.340 -0.000 0.000 0.272 281 L C -0.050 177.154 176.870 0.556 0.000 1.174 281 L CA 0.002 55.111 54.840 0.448 0.000 0.869 281 L CB 0.292 42.620 42.059 0.449 0.000 1.130 281 L HN 0.519 nan 8.230 nan 0.000 0.474 282 D N 3.116 123.781 120.400 0.442 0.000 2.517 282 D HA 0.054 4.694 4.640 -0.000 0.000 0.220 282 D C 0.822 177.298 176.300 0.292 0.000 1.158 282 D CA 0.006 54.229 54.000 0.371 0.000 0.992 282 D CB 0.207 41.067 40.800 0.100 0.000 1.058 282 D HN 0.275 nan 8.370 nan 0.000 0.516 283 F N 1.101 121.303 119.950 0.421 0.000 2.365 283 F HA -0.018 4.509 4.527 -0.000 0.000 0.300 283 F C 2.503 178.324 175.800 0.036 0.000 1.090 283 F CA 0.522 58.627 58.000 0.175 0.000 1.408 283 F CB 0.078 39.129 39.000 0.086 0.000 1.060 283 F HN 0.274 nan 8.300 nan 0.000 0.534 284 R N -0.295 120.373 120.500 0.281 0.000 2.075 284 R HA -0.195 4.145 4.340 -0.000 0.000 0.232 284 R C 2.276 178.691 176.300 0.191 0.000 1.126 284 R CA 1.515 57.721 56.100 0.176 0.000 0.963 284 R CB -0.564 29.878 30.300 0.236 0.000 0.858 284 R HN 0.322 nan 8.270 nan 0.000 0.435 285 F N 0.813 120.812 119.950 0.082 0.000 2.084 285 F HA -0.093 4.434 4.527 -0.000 0.000 0.296 285 F C 2.151 177.922 175.800 -0.048 0.000 1.111 285 F CA 1.654 59.678 58.000 0.039 0.000 1.224 285 F CB -0.409 38.594 39.000 0.004 0.000 0.991 285 F HN 0.101 nan 8.300 nan 0.000 0.471 286 A N 0.112 122.929 122.820 -0.005 0.000 1.883 286 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 286 A C 2.135 179.664 177.584 -0.092 0.000 1.186 286 A CA 1.737 53.623 52.037 -0.253 0.000 0.624 286 A CB -0.818 17.593 19.000 -0.982 0.000 0.822 286 A HN 0.531 nan 8.150 nan 0.000 0.444 287 Q N -0.574 119.205 119.800 -0.035 0.000 2.079 287 Q HA -0.166 4.174 4.340 -0.000 0.000 0.200 287 Q C 2.081 178.073 176.000 -0.013 0.000 0.974 287 Q CA 1.828 57.639 55.803 0.012 0.000 0.840 287 Q CB -0.359 28.394 28.738 0.024 0.000 0.898 287 Q HN 0.625 nan 8.270 nan 0.000 0.430 288 K N 1.088 121.461 120.400 -0.044 0.000 2.097 288 K HA -0.001 4.319 4.320 -0.000 0.000 0.205 288 K C 1.877 178.409 176.600 -0.113 0.000 1.050 288 K CA 1.273 57.513 56.287 -0.080 0.000 0.938 288 K CB -0.485 31.964 32.500 -0.085 0.000 0.718 288 K HN 0.116 nan 8.250 nan 0.000 0.442 289 A N 0.884 123.629 122.820 -0.124 0.000 1.908 289 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 289 A C 2.131 179.845 177.584 0.217 0.000 1.181 289 A CA 1.768 53.820 52.037 0.024 0.000 0.627 289 A CB -0.479 18.536 19.000 0.026 0.000 0.818 289 A HN 0.367 nan 8.150 nan 0.000 0.445 290 R N -0.627 119.981 120.500 0.180 0.000 2.092 290 R HA -0.113 4.226 4.340 -0.000 0.000 0.231 290 R C 2.442 178.754 176.300 0.020 0.000 1.119 290 R CA 1.504 57.702 56.100 0.164 0.000 0.970 290 R CB -0.304 30.057 30.300 0.102 0.000 0.864 290 R HN 0.690 nan 8.270 nan 0.000 0.440 291 Q N -0.027 119.759 119.800 -0.024 0.000 2.124 291 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 291 Q C 2.129 178.057 176.000 -0.120 0.000 0.977 291 Q CA 1.498 57.261 55.803 -0.067 0.000 0.850 291 Q CB 0.079 28.776 28.738 -0.069 0.000 0.901 291 Q HN 0.195 nan 8.270 nan 0.000 0.429 292 V N -0.526 119.263 119.914 -0.208 0.000 2.379 292 V HA -0.141 3.979 4.120 -0.000 0.000 0.243 292 V C 1.595 177.430 176.094 -0.431 0.000 1.035 292 V CA 1.556 63.610 62.300 -0.411 0.000 1.035 292 V CB -0.367 31.030 31.823 -0.709 0.000 0.673 292 V HN 0.251 nan 8.190 nan 0.000 0.457 293 F N -0.660 119.296 119.950 0.010 0.000 2.619 293 F HA 0.197 4.724 4.527 -0.000 0.000 0.293 293 F C 2.431 178.318 175.800 0.146 0.000 1.119 293 F CA 0.755 58.829 58.000 0.123 0.000 1.445 293 F CB 0.104 39.251 39.000 0.245 0.000 1.119 293 F HN -0.080 nan 8.300 nan 0.000 0.573 294 R N 0.049 120.611 120.500 0.103 0.000 2.125 294 R HA 0.033 4.373 4.340 -0.000 0.000 0.195 294 R C 1.037 177.252 176.300 -0.142 0.000 1.138 294 R CA 0.794 56.764 56.100 -0.217 0.000 1.123 294 R CB 0.091 29.953 30.300 -0.730 0.000 1.049 294 R HN 0.015 nan 8.270 nan 0.000 0.503 295 D N 0.283 120.615 120.400 -0.114 0.000 2.354 295 D HA -0.031 4.609 4.640 -0.000 0.000 0.209 295 D C -0.109 176.155 176.300 -0.061 0.000 1.015 295 D CA 0.275 54.224 54.000 -0.086 0.000 0.867 295 D CB -0.063 40.692 40.800 -0.075 0.000 0.933 295 D HN 0.197 nan 8.370 nan 0.000 0.520 296 N N 0.713 119.374 118.700 -0.064 0.000 2.727 296 N HA -0.183 4.556 4.740 -0.000 0.000 0.249 296 N C 0.374 175.850 175.510 -0.056 0.000 1.048 296 N CA 1.151 54.163 53.050 -0.063 0.000 0.714 296 N CB -1.505 36.957 38.487 -0.042 0.000 0.959 296 N HN 0.239 nan 8.380 nan 0.000 0.544 297 T N -4.553 109.966 114.554 -0.059 0.000 3.069 297 T HA 0.275 4.624 4.350 -0.000 0.000 0.252 297 T C 0.192 174.861 174.700 -0.051 0.000 1.053 297 T CA 0.089 62.161 62.100 -0.046 0.000 0.964 297 T CB 0.602 69.447 68.868 -0.037 0.000 1.005 297 T HN 0.275 nan 8.240 nan 0.000 0.532 298 D N 0.902 121.257 120.400 -0.074 0.000 2.599 298 D HA 0.399 5.039 4.640 -0.000 0.000 0.252 298 D C -1.270 174.966 176.300 -0.107 0.000 1.232 298 D CA -0.537 53.419 54.000 -0.074 0.000 0.819 298 D CB 2.039 42.792 40.800 -0.078 0.000 1.401 298 D HN 0.284 nan 8.370 nan 0.000 0.429 299 N N -0.168 118.483 118.700 -0.082 0.000 2.989 299 N HA 0.250 4.989 4.740 -0.000 0.000 0.338 299 N C 0.878 176.300 175.510 -0.148 0.000 1.369 299 N CA -0.454 52.533 53.050 -0.105 0.000 0.794 299 N CB 0.192 38.666 38.487 -0.021 0.000 1.359 299 N HN 0.181 nan 8.380 nan 0.000 0.609 300 M N -0.866 118.621 119.600 -0.187 0.000 2.358 300 M HA -0.029 4.451 4.480 -0.000 0.000 0.264 300 M C 1.174 177.310 176.300 -0.273 0.000 1.064 300 M CA 1.354 56.491 55.300 -0.270 0.000 1.093 300 M CB -1.333 31.092 32.600 -0.291 0.000 1.401 300 M HN 0.540 nan 8.290 nan 0.000 0.440 301 Y N -0.140 120.115 120.300 -0.074 0.000 2.293 301 Y HA -0.081 4.469 4.550 -0.000 0.000 0.291 301 Y C 2.556 178.422 175.900 -0.056 0.000 1.137 301 Y CA 1.184 59.252 58.100 -0.054 0.000 1.202 301 Y CB -0.729 37.700 38.460 -0.051 0.000 0.990 301 Y HN 0.314 nan 8.280 nan 0.000 0.537 302 G N -0.305 108.529 108.800 0.057 0.000 2.402 302 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 302 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 302 G C 1.571 176.445 174.900 -0.043 0.000 1.162 302 G CA 0.820 45.920 45.100 -0.001 0.000 0.777 302 G HN 0.296 nan 8.290 nan 0.000 0.539 303 L N 0.791 121.947 121.223 -0.112 0.000 2.017 303 L HA 0.039 4.379 4.340 -0.000 0.000 0.208 303 L C 2.766 179.610 176.870 -0.043 0.000 1.073 303 L CA 2.477 57.232 54.840 -0.141 0.000 0.745 303 L CB -0.442 41.446 42.059 -0.285 0.000 0.894 303 L HN 0.270 nan 8.230 nan 0.000 0.432 304 K N -0.638 119.744 120.400 -0.031 0.000 2.020 304 K HA -0.237 4.082 4.320 -0.000 0.000 0.212 304 K C 1.942 178.577 176.600 0.058 0.000 1.050 304 K CA 1.715 58.017 56.287 0.026 0.000 0.929 304 K CB -0.335 32.175 32.500 0.016 0.000 0.714 304 K HN 0.416 nan 8.250 nan 0.000 0.443 305 A N 1.538 124.393 122.820 0.058 0.000 1.972 305 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 305 A C 2.137 179.752 177.584 0.053 0.000 1.169 305 A CA 1.529 53.600 52.037 0.057 0.000 0.635 305 A CB -0.544 18.486 19.000 0.050 0.000 0.810 305 A HN 0.520 nan 8.150 nan 0.000 0.446 306 M N -0.188 119.442 119.600 0.050 0.000 2.132 306 M HA -0.043 4.437 4.480 -0.000 0.000 0.263 306 M C 1.886 178.263 176.300 0.127 0.000 1.065 306 M CA 1.680 57.026 55.300 0.077 0.000 1.122 306 M CB -0.831 31.802 32.600 0.055 0.000 1.365 306 M HN 0.412 nan 8.290 nan 0.000 0.411 307 L N -0.053 121.246 121.223 0.127 0.000 2.093 307 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 307 L C 2.286 179.233 176.870 0.129 0.000 1.085 307 L CA 1.269 56.203 54.840 0.156 0.000 0.755 307 L CB -0.576 41.561 42.059 0.130 0.000 0.904 307 L HN 0.339 nan 8.230 nan 0.000 0.435 308 E N -0.180 120.080 120.200 0.100 0.000 2.072 308 E HA -0.122 4.228 4.350 -0.000 0.000 0.190 308 E C 2.226 178.866 176.600 0.066 0.000 0.982 308 E CA 0.929 57.379 56.400 0.084 0.000 0.803 308 E CB -0.209 29.535 29.700 0.074 0.000 0.755 308 E HN 0.524 nan 8.360 nan 0.000 0.453 309 G N 1.115 109.949 108.800 0.057 0.000 2.394 309 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.215 309 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.215 309 G C 1.746 176.658 174.900 0.021 0.000 1.165 309 G CA 1.023 46.135 45.100 0.020 0.000 0.784 309 G HN 0.365 nan 8.290 nan 0.000 0.535 310 S N 0.351 116.112 115.700 0.101 0.000 2.423 310 S HA -0.062 4.408 4.470 -0.000 0.000 0.231 310 S C 1.947 176.695 174.600 0.247 0.000 1.014 310 S CA 1.518 59.831 58.200 0.188 0.000 0.965 310 S CB -0.215 63.232 63.200 0.411 0.000 0.785 310 S HN 0.533 nan 8.310 nan 0.000 0.495 311 E N 0.568 120.874 120.200 0.177 0.000 2.209 311 E HA -0.101 4.249 4.350 -0.000 0.000 0.196 311 E C 1.593 178.254 176.600 0.102 0.000 0.993 311 E CA 1.213 57.702 56.400 0.148 0.000 0.819 311 E CB -0.017 29.749 29.700 0.111 0.000 0.745 311 E HN 0.505 nan 8.360 nan 0.000 0.477 312 V N 0.777 120.723 119.914 0.054 0.000 2.492 312 V HA -0.121 3.999 4.120 -0.000 0.000 0.241 312 V C 1.515 177.591 176.094 -0.030 0.000 1.041 312 V CA 1.429 63.732 62.300 0.006 0.000 1.057 312 V CB -0.158 31.655 31.823 -0.018 0.000 0.711 312 V HN 0.166 nan 8.190 nan 0.000 0.468 313 D N -1.039 119.294 120.400 -0.111 0.000 2.219 313 D HA -0.062 4.578 4.640 -0.000 0.000 0.205 313 D C 0.258 176.454 176.300 -0.174 0.000 0.970 313 D CA 0.935 54.767 54.000 -0.281 0.000 0.851 313 D CB -0.114 40.283 40.800 -0.671 0.000 0.943 313 D HN 0.415 nan 8.370 nan 0.000 0.488 314 Y N 0.000 120.337 120.300 0.062 0.000 2.326 314 Y HA 0.413 4.963 4.550 -0.000 0.000 0.337 314 Y C 1.232 177.152 175.900 0.032 0.000 1.023 314 Y CA -0.827 57.337 58.100 0.106 0.000 1.143 314 Y CB 1.562 40.095 38.460 0.120 0.000 1.183 314 Y HN -0.191 nan 8.280 nan 0.000 0.485 315 A N 2.783 125.706 122.820 0.172 0.000 1.933 315 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 315 A C 0.675 178.275 177.584 0.028 0.000 1.175 315 A CA 1.231 53.304 52.037 0.060 0.000 0.628 315 A CB -0.209 18.810 19.000 0.032 0.000 0.814 315 A HN 0.756 nan 8.150 nan 0.000 0.444 316 Q N -1.009 118.839 119.800 0.079 0.000 2.700 316 Q HA 0.425 4.765 4.340 -0.000 0.000 0.249 316 Q C 0.336 176.375 176.000 0.065 0.000 1.033 316 Q CA -0.127 55.717 55.803 0.067 0.000 0.804 316 Q CB 1.298 30.118 28.738 0.137 0.000 1.164 316 Q HN 0.117 nan 8.270 nan 0.000 0.500 317 V N 1.731 121.686 119.914 0.067 0.000 2.759 317 V HA -0.193 3.926 4.120 -0.000 0.000 0.256 317 V C 0.874 176.937 176.094 -0.053 0.000 1.080 317 V CA 1.593 63.887 62.300 -0.010 0.000 1.101 317 V CB 0.072 31.952 31.823 0.095 0.000 0.698 317 V HN 0.707 nan 8.190 nan 0.000 0.477 318 N N 0.507 119.232 118.700 0.040 0.000 2.550 318 N HA -0.061 4.679 4.740 -0.000 0.000 0.186 318 N C 0.976 176.489 175.510 0.004 0.000 1.110 318 N CA 0.934 54.005 53.050 0.034 0.000 0.912 318 N CB -0.139 38.435 38.487 0.146 0.000 0.968 318 N HN 0.528 nan 8.380 nan 0.000 0.448 319 D N -0.091 120.324 120.400 0.024 0.000 2.369 319 D HA 0.045 4.685 4.640 -0.000 0.000 0.211 319 D C -0.034 176.284 176.300 0.029 0.000 1.077 319 D CA 0.190 54.250 54.000 0.101 0.000 0.842 319 D CB 0.407 41.323 40.800 0.193 0.000 0.947 319 D HN 0.099 nan 8.370 nan 0.000 0.509 320 Q N 0.633 120.340 119.800 -0.155 0.000 2.261 320 Q HA 0.277 4.616 4.340 -0.000 0.000 0.252 320 Q C -0.044 175.834 176.000 -0.203 0.000 0.915 320 Q CA -0.463 55.193 55.803 -0.244 0.000 0.915 320 Q CB 2.271 30.688 28.738 -0.535 0.000 1.204 320 Q HN -0.123 nan 8.270 nan 0.000 0.421 321 V N 3.265 123.077 119.914 -0.170 0.000 2.385 321 V HA 0.243 4.363 4.120 -0.000 0.000 0.269 321 V C 0.561 176.654 176.094 -0.002 0.000 1.043 321 V CA -0.386 61.806 62.300 -0.179 0.000 0.906 321 V CB 0.744 32.295 31.823 -0.454 0.000 0.995 321 V HN 0.882 nan 8.190 nan 0.000 0.467 322 T N 2.921 117.395 114.554 -0.133 0.000 2.927 322 T HA 0.879 5.229 4.350 -0.000 0.000 0.281 322 T C -0.631 174.152 174.700 0.138 0.000 0.998 322 T CA -0.521 61.425 62.100 -0.256 0.000 1.019 322 T CB 1.638 69.882 68.868 -1.041 0.000 1.061 322 T HN 0.650 nan 8.240 nan 0.000 0.518 323 F N -1.316 118.645 119.950 0.017 0.000 2.770 323 F HA 0.516 5.043 4.527 0.000 0.000 0.313 323 F C 0.052 175.972 175.800 0.200 0.000 1.154 323 F CA -1.413 56.645 58.000 0.097 0.000 0.923 323 F CB 0.779 39.828 39.000 0.082 0.000 1.301 323 F HN 0.550 nan 8.300 nan 0.000 0.449 324 I N -1.728 118.985 120.570 0.238 0.000 4.181 324 I HA 0.441 4.611 4.170 -0.000 0.000 0.331 324 I C -0.822 175.512 176.117 0.361 0.000 1.312 324 I CA 0.077 61.501 61.300 0.206 0.000 1.146 324 I CB 0.430 38.458 38.000 0.047 0.000 1.074 324 I HN 0.630 nan 8.210 nan 0.000 0.402 325 D N 0.589 121.253 120.400 0.440 0.000 2.692 325 D HA 0.437 5.077 4.640 -0.000 0.000 0.290 325 D C -0.991 175.428 176.300 0.199 0.000 1.281 325 D CA -0.656 53.566 54.000 0.371 0.000 0.804 325 D CB 0.851 41.843 40.800 0.320 0.000 1.331 325 D HN 0.259 nan 8.370 nan 0.000 0.432 326 N N -2.602 115.984 118.700 -0.191 0.000 3.387 326 N HA 0.103 4.842 4.740 -0.000 0.000 0.294 326 N C 0.631 175.609 175.510 -0.885 0.000 1.519 326 N CA -0.456 52.134 53.050 -0.767 0.000 0.875 326 N CB -0.215 38.011 38.487 -0.435 0.000 1.657 326 N HN 0.560 nan 8.380 nan 0.000 0.527 327 H N -1.837 116.774 119.070 -0.764 0.000 2.543 327 H HA 0.096 4.652 4.556 -0.000 0.000 0.286 327 H C -0.639 174.683 175.328 -0.010 0.000 1.037 327 H CA 1.077 56.971 56.048 -0.257 0.000 1.250 327 H CB -0.253 29.584 29.762 0.124 0.000 1.373 327 H HN 0.507 nan 8.280 nan 0.000 0.580 328 D N 0.676 120.810 120.400 -0.443 0.000 2.424 328 D HA 0.191 4.830 4.640 -0.000 0.000 0.220 328 D C 0.596 176.949 176.300 0.090 0.000 1.150 328 D CA 0.047 53.964 54.000 -0.139 0.000 0.831 328 D CB 0.409 41.154 40.800 -0.092 0.000 0.981 328 D HN 0.540 nan 8.370 nan 0.000 0.500 329 M N -1.630 118.016 119.600 0.078 0.000 2.644 329 M HA 0.438 4.918 4.480 -0.000 0.000 0.273 329 M C -0.707 175.655 176.300 0.104 0.000 1.253 329 M CA -0.976 54.416 55.300 0.154 0.000 0.852 329 M CB 2.085 34.845 32.600 0.268 0.000 1.708 329 M HN -0.359 nan 8.290 nan 0.000 0.471 330 E N 1.912 122.174 120.200 0.104 0.000 2.415 330 E HA 0.155 4.504 4.350 -0.000 0.000 0.262 330 E C -0.521 176.152 176.600 0.122 0.000 1.038 330 E CA -0.250 56.201 56.400 0.084 0.000 0.921 330 E CB 0.607 30.338 29.700 0.052 0.000 0.950 330 E HN 0.328 nan 8.360 nan 0.000 0.438 331 R N 1.880 122.459 120.500 0.133 0.000 2.640 331 R HA -0.068 4.272 4.340 -0.000 0.000 0.270 331 R C 0.933 177.359 176.300 0.210 0.000 1.024 331 R CA 0.207 56.425 56.100 0.198 0.000 1.085 331 R CB 0.121 30.521 30.300 0.166 0.000 0.963 331 R HN 0.640 nan 8.270 nan 0.000 0.426 332 F N 2.569 122.607 119.950 0.147 0.000 2.102 332 F HA -0.184 4.343 4.527 -0.001 0.000 0.298 332 F C 1.530 177.422 175.800 0.152 0.000 1.105 332 F CA 1.429 59.517 58.000 0.147 0.000 1.239 332 F CB -0.094 39.003 39.000 0.162 0.000 0.991 332 F HN 0.503 nan 8.300 nan 0.000 0.474 333 H N 1.344 120.653 119.070 0.399 0.000 2.848 333 H HA 0.156 4.712 4.556 -0.000 0.000 0.317 333 H C -0.149 175.263 175.328 0.141 0.000 1.046 333 H CA 0.382 56.609 56.048 0.299 0.000 1.470 333 H CB 0.587 30.534 29.762 0.308 0.000 1.483 333 H HN 0.279 nan 8.280 nan 0.000 0.548 334 T N 0.838 115.109 114.554 -0.472 0.000 2.922 334 T HA 0.157 4.507 4.350 -0.000 0.000 0.281 334 T C 1.556 176.002 174.700 -0.422 0.000 1.005 334 T CA -0.268 61.632 62.100 -0.332 0.000 0.982 334 T CB 1.053 69.809 68.868 -0.186 0.000 1.158 334 T HN 0.586 nan 8.240 nan 0.000 0.566 335 S N 1.226 116.809 115.700 -0.195 0.000 2.368 335 S HA -0.151 4.319 4.470 -0.000 0.000 0.224 335 S C 1.401 175.952 174.600 -0.080 0.000 1.029 335 S CA 1.157 59.289 58.200 -0.112 0.000 0.988 335 S CB -0.887 62.280 63.200 -0.056 0.000 0.838 335 S HN 0.906 nan 8.310 nan 0.000 0.462 336 N N 1.732 120.386 118.700 -0.077 0.000 2.235 336 N HA 0.283 5.023 4.740 -0.000 0.000 0.209 336 N C 0.231 175.723 175.510 -0.029 0.000 1.122 336 N CA 0.104 53.132 53.050 -0.038 0.000 0.845 336 N CB -0.196 38.274 38.487 -0.029 0.000 1.004 336 N HN 0.426 nan 8.380 nan 0.000 0.499 337 G N -0.378 108.385 108.800 -0.060 0.000 2.367 337 G HA2 0.267 4.226 3.960 -0.000 0.000 0.314 337 G HA3 0.267 4.226 3.960 -0.000 0.000 0.314 337 G C -1.030 173.945 174.900 0.126 0.000 1.130 337 G CA -0.484 44.617 45.100 0.002 0.000 0.864 337 G HN 0.187 nan 8.290 nan 0.000 0.486 338 D N 0.533 121.017 120.400 0.139 0.000 2.425 338 D HA 0.044 4.684 4.640 -0.000 0.000 0.247 338 D C 1.644 178.087 176.300 0.238 0.000 1.147 338 D CA -0.138 53.956 54.000 0.156 0.000 0.879 338 D CB 0.830 41.699 40.800 0.115 0.000 1.179 338 D HN 0.345 nan 8.370 nan 0.000 0.456 339 R N 2.419 123.023 120.500 0.173 0.000 2.193 339 R HA -0.148 4.191 4.340 -0.000 0.000 0.229 339 R C 1.676 178.089 176.300 0.188 0.000 1.110 339 R CA 0.723 56.898 56.100 0.126 0.000 0.988 339 R CB -0.017 30.170 30.300 -0.187 0.000 0.871 339 R HN 0.287 nan 8.270 nan 0.000 0.458 340 R N 1.718 122.306 120.500 0.146 0.000 2.148 340 R HA -0.074 4.266 4.340 -0.000 0.000 0.227 340 R C 1.405 177.809 176.300 0.173 0.000 1.103 340 R CA 1.539 57.720 56.100 0.135 0.000 0.983 340 R CB -0.070 30.293 30.300 0.105 0.000 0.874 340 R HN 0.112 nan 8.270 nan 0.000 0.451 341 K N -0.281 120.269 120.400 0.251 0.000 2.057 341 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 341 K C 1.881 178.696 176.600 0.359 0.000 1.049 341 K CA 1.478 57.979 56.287 0.356 0.000 0.931 341 K CB -0.321 32.437 32.500 0.429 0.000 0.714 341 K HN 0.120 nan 8.250 nan 0.000 0.440 342 L N 1.946 123.379 121.223 0.350 0.000 2.027 342 L HA -0.147 4.193 4.340 -0.000 0.000 0.206 342 L C 1.798 178.602 176.870 -0.109 0.000 1.074 342 L CA 1.774 56.644 54.840 0.051 0.000 0.745 342 L CB -0.253 41.927 42.059 0.202 0.000 0.898 342 L HN 0.105 nan 8.230 nan 0.000 0.433 343 E N -0.751 119.463 120.200 0.023 0.000 2.058 343 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 343 E C 2.183 178.732 176.600 -0.084 0.000 0.997 343 E CA 1.733 58.124 56.400 -0.016 0.000 0.801 343 E CB -0.217 29.519 29.700 0.060 0.000 0.746 343 E HN 0.642 nan 8.360 nan 0.000 0.450 344 Q N 0.129 119.879 119.800 -0.083 0.000 2.050 344 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 344 Q C 2.322 178.067 176.000 -0.425 0.000 0.980 344 Q CA 1.303 56.997 55.803 -0.182 0.000 0.840 344 Q CB -0.206 28.464 28.738 -0.114 0.000 0.898 344 Q HN 0.265 nan 8.270 nan 0.000 0.424 345 A N 0.843 123.337 122.820 -0.544 0.000 1.933 345 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 345 A C 2.068 179.461 177.584 -0.318 0.000 1.175 345 A CA 1.087 52.735 52.037 -0.648 0.000 0.628 345 A CB -0.605 17.963 19.000 -0.721 0.000 0.814 345 A HN 0.271 nan 8.150 nan 0.000 0.444 346 L N -0.970 120.087 121.223 -0.276 0.000 2.056 346 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 346 L C 3.105 179.915 176.870 -0.099 0.000 1.078 346 L CA 1.013 55.759 54.840 -0.157 0.000 0.749 346 L CB -0.512 41.458 42.059 -0.148 0.000 0.901 346 L HN 0.424 nan 8.230 nan 0.000 0.433 347 A N -0.192 122.570 122.820 -0.097 0.000 1.902 347 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 347 A C 2.171 179.768 177.584 0.023 0.000 1.181 347 A CA 1.517 53.522 52.037 -0.054 0.000 0.623 347 A CB -0.825 18.140 19.000 -0.059 0.000 0.818 347 A HN 0.405 nan 8.150 nan 0.000 0.443 348 F N 1.542 121.419 119.950 -0.122 0.000 2.095 348 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 348 F C 2.421 178.290 175.800 0.116 0.000 1.104 348 F CA 2.346 60.356 58.000 0.017 0.000 1.232 348 F CB -0.825 38.058 39.000 -0.196 0.000 0.987 348 F HN 0.206 nan 8.300 nan 0.000 0.475 349 T N 1.463 115.985 114.554 -0.054 0.000 2.777 349 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 349 T C 2.159 176.764 174.700 -0.157 0.000 1.040 349 T CA 1.706 63.759 62.100 -0.078 0.000 1.141 349 T CB -0.561 68.341 68.868 0.058 0.000 0.868 349 T HN 0.252 nan 8.240 nan 0.000 0.444 350 L N 1.371 122.533 121.223 -0.102 0.000 2.201 350 L HA -0.051 4.289 4.340 -0.000 0.000 0.212 350 L C 2.618 179.424 176.870 -0.106 0.000 1.105 350 L CA 1.281 56.059 54.840 -0.103 0.000 0.775 350 L CB -0.726 41.282 42.059 -0.084 0.000 0.913 350 L HN 0.436 nan 8.230 nan 0.000 0.440 351 T N -5.558 108.952 114.554 -0.074 0.000 3.086 351 T HA 0.175 4.524 4.350 -0.000 0.000 0.250 351 T C 0.798 175.501 174.700 0.005 0.000 1.074 351 T CA -0.273 61.821 62.100 -0.011 0.000 0.988 351 T CB 0.250 69.158 68.868 0.068 0.000 0.988 351 T HN -0.002 nan 8.240 nan 0.000 0.530 352 S N 2.285 117.885 115.700 -0.167 0.000 2.713 352 S HA 0.593 5.062 4.470 -0.000 0.000 0.283 352 S C 0.391 174.861 174.600 -0.217 0.000 1.161 352 S CA -1.072 56.981 58.200 -0.246 0.000 0.999 352 S CB 0.853 63.777 63.200 -0.460 0.000 1.039 352 S HN 0.596 nan 8.310 nan 0.000 0.548 353 R N 0.731 121.128 120.500 -0.172 0.000 2.694 353 R HA 0.612 4.952 4.340 -0.000 0.000 0.268 353 R C 0.574 176.728 176.300 -0.243 0.000 1.061 353 R CA 0.323 56.335 56.100 -0.147 0.000 1.133 353 R CB -1.373 28.895 30.300 -0.055 0.000 1.020 353 R HN 0.952 nan 8.270 nan 0.000 0.475 354 G N -0.277 108.399 108.800 -0.206 0.000 2.384 354 G HA2 -0.104 3.855 3.960 -0.000 0.000 0.204 354 G HA3 -0.104 3.855 3.960 -0.000 0.000 0.204 354 G C -1.579 173.179 174.900 -0.238 0.000 1.237 354 G CA -0.380 44.576 45.100 -0.240 0.000 1.060 354 G HN 0.658 nan 8.290 nan 0.000 0.514 355 V N 2.861 122.631 119.914 -0.239 0.000 2.349 355 V HA 0.542 4.662 4.120 -0.000 0.000 0.284 355 V C -1.916 174.073 176.094 -0.174 0.000 1.014 355 V CA -0.990 61.182 62.300 -0.213 0.000 0.826 355 V CB 1.746 33.419 31.823 -0.251 0.000 1.009 355 V HN 0.688 nan 8.190 nan 0.000 0.431 356 P HA 0.393 nan 4.420 nan 0.000 0.276 356 P C -0.705 176.619 177.300 0.040 0.000 1.230 356 P CA -0.018 63.032 63.100 -0.084 0.000 0.776 356 P CB 1.651 33.289 31.700 -0.103 0.000 0.888 357 A N 4.552 127.457 122.820 0.142 0.000 2.342 357 A HA 0.695 5.015 4.320 -0.000 0.000 0.323 357 A C -0.392 177.335 177.584 0.239 0.000 1.125 357 A CA -0.877 51.317 52.037 0.261 0.000 0.785 357 A CB 0.702 19.963 19.000 0.434 0.000 1.221 357 A HN 0.481 nan 8.150 nan 0.000 0.463 358 I N 2.162 122.852 120.570 0.201 0.000 2.378 358 I HA 0.226 4.395 4.170 -0.000 0.000 0.291 358 I C -0.918 175.232 176.117 0.056 0.000 0.992 358 I CA -0.685 60.699 61.300 0.140 0.000 1.154 358 I CB 1.515 39.602 38.000 0.144 0.000 1.315 358 I HN 0.718 nan 8.210 nan 0.000 0.448 359 Y N 8.010 128.261 120.300 -0.083 0.000 2.335 359 Y HA 0.161 4.711 4.550 -0.000 0.000 0.331 359 Y C -0.041 175.676 175.900 -0.306 0.000 1.094 359 Y CA -1.158 56.848 58.100 -0.156 0.000 1.253 359 Y CB 0.310 38.734 38.460 -0.060 0.000 1.203 359 Y HN 0.440 nan 8.280 nan 0.000 0.508 360 Y N 3.311 123.178 120.300 -0.722 0.000 2.805 360 Y HA 0.339 4.889 4.550 -0.000 0.000 0.337 360 Y C 1.134 176.836 175.900 -0.329 0.000 1.252 360 Y CA -0.489 57.214 58.100 -0.662 0.000 1.515 360 Y CB 0.016 38.213 38.460 -0.439 0.000 1.305 360 Y HN 0.915 nan 8.280 nan 0.000 0.600 361 G N 1.563 110.301 108.800 -0.104 0.000 2.179 361 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.260 361 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.260 361 G C 1.131 175.934 174.900 -0.162 0.000 0.977 361 G CA 0.583 45.580 45.100 -0.172 0.000 0.641 361 G HN 0.793 nan 8.290 nan 0.000 0.533 362 S N 1.044 116.660 115.700 -0.140 0.000 2.383 362 S HA -0.121 4.349 4.470 -0.000 0.000 0.229 362 S C 2.085 176.560 174.600 -0.209 0.000 1.030 362 S CA 1.763 59.897 58.200 -0.110 0.000 1.002 362 S CB -0.221 62.948 63.200 -0.052 0.000 0.829 362 S HN 0.880 nan 8.310 nan 0.000 0.467 363 E N 0.861 120.998 120.200 -0.106 0.000 2.478 363 E HA -0.099 4.250 4.350 -0.000 0.000 0.198 363 E C 0.645 177.134 176.600 -0.185 0.000 1.046 363 E CA 0.664 56.974 56.400 -0.150 0.000 0.870 363 E CB -0.175 29.573 29.700 0.079 0.000 0.818 363 E HN 0.401 nan 8.360 nan 0.000 0.527 364 Q N -0.026 119.700 119.800 -0.124 0.000 2.172 364 Q HA 0.091 4.431 4.340 -0.000 0.000 0.217 364 Q C -0.622 175.410 176.000 0.054 0.000 0.832 364 Q CA -0.542 55.258 55.803 -0.004 0.000 1.010 364 Q CB -0.295 28.453 28.738 0.018 0.000 1.133 364 Q HN 0.315 nan 8.270 nan 0.000 0.489 365 Y N -0.853 119.429 120.300 -0.029 0.000 3.305 365 Y HA -0.290 4.259 4.550 -0.000 0.000 0.212 365 Y C 0.354 176.295 175.900 0.069 0.000 1.248 365 Y CA 0.228 58.274 58.100 -0.090 0.000 1.359 365 Y CB -2.387 35.908 38.460 -0.276 0.000 1.407 365 Y HN 0.236 nan 8.280 nan 0.000 0.572 366 M N 0.905 120.573 119.600 0.115 0.000 2.239 366 M HA 0.211 4.691 4.480 -0.000 0.000 0.348 366 M C 0.710 177.115 176.300 0.175 0.000 1.239 366 M CA 0.677 56.032 55.300 0.091 0.000 1.114 366 M CB 0.619 33.178 32.600 -0.069 0.000 1.641 366 M HN 0.417 nan 8.290 nan 0.000 0.453 367 S N 1.578 117.366 115.700 0.148 0.000 2.689 367 S HA 1.017 5.487 4.470 -0.000 0.000 0.306 367 S C -0.235 174.394 174.600 0.048 0.000 1.104 367 S CA -0.503 57.757 58.200 0.100 0.000 0.973 367 S CB 2.232 65.456 63.200 0.040 0.000 1.121 367 S HN 1.065 nan 8.310 nan 0.000 0.523 368 G N -0.845 107.975 108.800 0.034 0.000 2.368 368 G HA2 0.498 4.457 3.960 -0.000 0.000 0.301 368 G HA3 0.498 4.457 3.960 -0.000 0.000 0.301 368 G C -0.196 174.722 174.900 0.030 0.000 1.640 368 G CA -0.361 44.754 45.100 0.025 0.000 0.941 368 G HN 1.027 nan 8.290 nan 0.000 0.695 369 G N 0.029 108.840 108.800 0.018 0.000 2.514 369 G HA2 0.458 4.418 3.960 -0.000 0.000 0.245 369 G HA3 0.458 4.418 3.960 -0.000 0.000 0.245 369 G C 0.357 175.273 174.900 0.028 0.000 1.488 369 G CA -0.484 44.627 45.100 0.018 0.000 1.063 369 G HN 0.699 nan 8.290 nan 0.000 0.557 370 N N 0.290 119.001 118.700 0.018 0.000 2.347 370 N HA 0.089 4.829 4.740 -0.000 0.000 0.253 370 N C -0.096 175.422 175.510 0.014 0.000 1.274 370 N CA -0.338 52.721 53.050 0.016 0.000 0.941 370 N CB 0.486 38.971 38.487 -0.003 0.000 1.200 370 N HN 0.489 nan 8.380 nan 0.000 0.514 371 D N 0.764 121.174 120.400 0.017 0.000 2.658 371 D HA -0.071 4.569 4.640 -0.000 0.000 0.230 371 D C -1.497 174.822 176.300 0.031 0.000 1.118 371 D CA -0.496 53.526 54.000 0.037 0.000 0.848 371 D CB 0.551 41.376 40.800 0.043 0.000 1.160 371 D HN 0.317 nan 8.370 nan 0.000 0.497 372 P HA 0.107 nan 4.420 nan 0.000 0.262 372 P C -0.026 177.280 177.300 0.010 0.000 1.304 372 P CA -0.070 63.062 63.100 0.053 0.000 0.859 372 P CB 0.504 32.236 31.700 0.053 0.000 1.310 373 D N 1.206 121.611 120.400 0.009 0.000 2.348 373 D HA -0.082 4.558 4.640 -0.000 0.000 0.216 373 D C 1.150 177.458 176.300 0.013 0.000 0.970 373 D CA 0.782 54.783 54.000 0.002 0.000 0.889 373 D CB -0.282 40.520 40.800 0.004 0.000 0.912 373 D HN 0.379 nan 8.370 nan 0.000 0.524 374 N N 0.169 118.891 118.700 0.036 0.000 2.336 374 N HA -0.036 4.704 4.740 -0.000 0.000 0.189 374 N C 0.335 175.891 175.510 0.077 0.000 1.113 374 N CA 0.014 53.114 53.050 0.084 0.000 0.858 374 N CB -0.012 38.552 38.487 0.129 0.000 0.970 374 N HN 0.021 nan 8.380 nan 0.000 0.471 375 R N 0.152 120.653 120.500 0.001 0.000 2.816 375 R HA 0.475 4.815 4.340 -0.000 0.000 0.382 375 R C -0.199 176.111 176.300 0.017 0.000 1.140 375 R CA -0.345 55.739 56.100 -0.026 0.000 1.050 375 R CB 0.827 31.008 30.300 -0.199 0.000 1.396 375 R HN 0.139 nan 8.270 nan 0.000 0.583 376 A N 1.262 124.084 122.820 0.003 0.000 2.327 376 A HA 0.223 4.543 4.320 -0.000 0.000 0.255 376 A C 0.141 177.770 177.584 0.075 0.000 1.099 376 A CA -0.359 51.676 52.037 -0.002 0.000 0.801 376 A CB 0.309 19.292 19.000 -0.028 0.000 1.062 376 A HN 0.481 nan 8.150 nan 0.000 0.496 377 R N 0.515 121.037 120.500 0.038 0.000 2.490 377 R HA 0.372 4.712 4.340 -0.000 0.000 0.280 377 R C -0.127 176.203 176.300 0.050 0.000 1.077 377 R CA -0.392 55.752 56.100 0.073 0.000 1.065 377 R CB 0.126 30.432 30.300 0.011 0.000 1.003 377 R HN 0.751 nan 8.270 nan 0.000 0.470 378 L N 4.489 125.760 121.223 0.081 0.000 2.380 378 L HA 0.403 4.742 4.340 -0.000 0.000 0.273 378 L C -1.825 174.897 176.870 -0.246 0.000 1.138 378 L CA -1.314 53.480 54.840 -0.076 0.000 0.832 378 L CB 1.189 43.219 42.059 -0.048 0.000 1.124 378 L HN 0.616 nan 8.230 nan 0.000 0.454 379 P HA 0.050 nan 4.420 nan 0.000 0.240 379 P C 0.111 177.293 177.300 -0.196 0.000 1.190 379 P CA 0.288 63.296 63.100 -0.153 0.000 0.781 379 P CB 0.545 32.197 31.700 -0.079 0.000 0.931 380 S N -1.115 114.381 115.700 -0.339 0.000 2.567 380 S HA 0.516 4.986 4.470 -0.000 0.000 0.270 380 S C -1.621 172.677 174.600 -0.504 0.000 1.152 380 S CA -0.560 57.476 58.200 -0.273 0.000 0.835 380 S CB 0.159 63.301 63.200 -0.096 0.000 1.115 380 S HN -0.174 nan 8.310 nan 0.000 0.459 381 F N 2.253 122.100 119.950 -0.173 0.000 2.881 381 F HA 0.400 4.927 4.527 -0.000 0.000 0.343 381 F C 0.986 176.772 175.800 -0.023 0.000 1.233 381 F CA -0.391 57.407 58.000 -0.336 0.000 1.262 381 F CB 0.939 39.555 39.000 -0.639 0.000 0.980 381 F HN 0.517 nan 8.300 nan 0.000 0.506 382 S N 0.610 116.394 115.700 0.140 0.000 2.525 382 S HA 0.063 4.533 4.470 -0.000 0.000 0.285 382 S C 1.317 175.894 174.600 -0.038 0.000 1.283 382 S CA 0.202 58.441 58.200 0.065 0.000 1.072 382 S CB 0.401 63.627 63.200 0.043 0.000 0.867 382 S HN 0.485 nan 8.310 nan 0.000 0.492 383 T N 0.845 115.251 114.554 -0.247 0.000 3.163 383 T HA 0.126 4.476 4.350 -0.000 0.000 0.252 383 T C 1.076 175.443 174.700 -0.556 0.000 1.056 383 T CA 0.287 61.865 62.100 -0.871 0.000 0.947 383 T CB -0.395 68.084 68.868 -0.648 0.000 1.016 383 T HN 0.696 nan 8.240 nan 0.000 0.554 384 T N -0.804 113.629 114.554 -0.203 0.000 3.085 384 T HA 0.201 4.551 4.350 -0.000 0.000 0.264 384 T C 0.853 175.575 174.700 0.037 0.000 1.019 384 T CA -0.152 61.909 62.100 -0.064 0.000 0.910 384 T CB -0.332 68.517 68.868 -0.032 0.000 1.059 384 T HN 0.515 nan 8.240 nan 0.000 0.542 385 T N -0.043 114.567 114.554 0.093 0.000 2.900 385 T HA 0.195 4.545 4.350 -0.000 0.000 0.307 385 T C 1.443 176.270 174.700 0.211 0.000 1.065 385 T CA -0.061 62.161 62.100 0.203 0.000 1.105 385 T CB 0.950 69.994 68.868 0.293 0.000 0.979 385 T HN 0.083 nan 8.240 nan 0.000 0.544 386 T N 2.183 116.871 114.554 0.225 0.000 2.720 386 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 386 T C 2.419 177.208 174.700 0.148 0.000 1.037 386 T CA 1.519 63.724 62.100 0.174 0.000 1.144 386 T CB -0.863 68.108 68.868 0.172 0.000 0.864 386 T HN 0.838 nan 8.240 nan 0.000 0.444 387 A N 0.564 123.466 122.820 0.138 0.000 1.883 387 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 387 A C 2.084 179.658 177.584 -0.017 0.000 1.186 387 A CA 1.801 53.804 52.037 -0.057 0.000 0.624 387 A CB -1.204 17.540 19.000 -0.427 0.000 0.822 387 A HN 0.602 nan 8.150 nan 0.000 0.444 388 Y N 0.475 120.737 120.300 -0.064 0.000 2.114 388 Y HA -0.309 4.241 4.550 -0.000 0.000 0.282 388 Y C 2.641 178.512 175.900 -0.049 0.000 1.165 388 Y CA 2.508 60.576 58.100 -0.054 0.000 1.148 388 Y CB -0.261 38.184 38.460 -0.024 0.000 0.972 388 Y HN 0.449 nan 8.280 nan 0.000 0.504 389 Q N -1.075 118.844 119.800 0.198 0.000 2.119 389 Q HA -0.157 4.183 4.340 -0.000 0.000 0.201 389 Q C 2.297 178.297 176.000 0.001 0.000 0.972 389 Q CA 1.639 57.508 55.803 0.111 0.000 0.847 389 Q CB -0.190 28.614 28.738 0.111 0.000 0.903 389 Q HN 0.380 nan 8.270 nan 0.000 0.433 390 V N 0.978 120.883 119.914 -0.015 0.000 2.343 390 V HA -0.270 3.849 4.120 -0.000 0.000 0.247 390 V C 2.060 178.099 176.094 -0.092 0.000 1.051 390 V CA 1.687 63.957 62.300 -0.050 0.000 1.036 390 V CB -0.401 31.394 31.823 -0.046 0.000 0.654 390 V HN 0.340 nan 8.190 nan 0.000 0.451 391 I N -0.321 120.168 120.570 -0.135 0.000 2.353 391 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 391 I C 2.622 178.625 176.117 -0.190 0.000 1.119 391 I CA 1.616 62.815 61.300 -0.169 0.000 1.417 391 I CB -0.429 37.441 38.000 -0.216 0.000 1.078 391 I HN 0.360 nan 8.210 nan 0.000 0.421 392 Q N 1.658 121.321 119.800 -0.228 0.000 2.135 392 Q HA -0.247 4.092 4.340 -0.000 0.000 0.204 392 Q C 2.047 177.986 176.000 -0.103 0.000 0.981 392 Q CA 1.715 57.408 55.803 -0.182 0.000 0.856 392 Q CB 0.087 28.748 28.738 -0.128 0.000 0.902 392 Q HN 0.456 nan 8.270 nan 0.000 0.425 393 K N -0.274 120.078 120.400 -0.080 0.000 2.116 393 K HA -0.003 4.317 4.320 -0.000 0.000 0.203 393 K C 2.014 178.568 176.600 -0.077 0.000 1.052 393 K CA 0.885 57.133 56.287 -0.065 0.000 0.952 393 K CB 0.194 32.662 32.500 -0.053 0.000 0.729 393 K HN 0.254 nan 8.250 nan 0.000 0.446 394 L N -0.230 120.939 121.223 -0.090 0.000 2.298 394 L HA 0.109 4.449 4.340 -0.000 0.000 0.209 394 L C 2.447 179.259 176.870 -0.097 0.000 1.084 394 L CA 0.303 55.087 54.840 -0.092 0.000 0.816 394 L CB -0.318 41.686 42.059 -0.092 0.000 0.967 394 L HN 0.094 nan 8.230 nan 0.000 0.460 395 A N 1.374 124.131 122.820 -0.105 0.000 1.902 395 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 395 A C -0.117 177.403 177.584 -0.107 0.000 1.181 395 A CA 1.520 53.493 52.037 -0.107 0.000 0.623 395 A CB -1.797 17.136 19.000 -0.112 0.000 0.818 395 A HN 0.271 nan 8.150 nan 0.000 0.443 396 P HA -0.136 nan 4.420 nan 0.000 0.223 396 P C 1.281 178.521 177.300 -0.099 0.000 1.144 396 P CA 0.793 63.836 63.100 -0.095 0.000 0.783 396 P CB -0.249 31.403 31.700 -0.079 0.000 0.771 397 L N -0.906 120.259 121.223 -0.098 0.000 2.275 397 L HA -0.076 4.263 4.340 -0.000 0.000 0.215 397 L C 2.839 179.631 176.870 -0.130 0.000 1.119 397 L CA 0.965 55.745 54.840 -0.099 0.000 0.790 397 L CB -0.635 41.372 42.059 -0.087 0.000 0.919 397 L HN -0.054 nan 8.230 nan 0.000 0.443 398 R N 0.167 120.576 120.500 -0.152 0.000 2.115 398 R HA -0.095 4.245 4.340 -0.000 0.000 0.230 398 R C 2.111 178.277 176.300 -0.224 0.000 1.111 398 R CA 0.827 56.803 56.100 -0.205 0.000 0.976 398 R CB -0.101 30.078 30.300 -0.201 0.000 0.870 398 R HN 0.312 nan 8.270 nan 0.000 0.445 399 K N 0.213 120.509 120.400 -0.174 0.000 2.137 399 K HA 0.004 4.323 4.320 -0.000 0.000 0.202 399 K C 2.049 178.566 176.600 -0.138 0.000 1.052 399 K CA 1.399 57.588 56.287 -0.162 0.000 0.961 399 K CB 0.032 32.453 32.500 -0.132 0.000 0.741 399 K HN 0.175 nan 8.250 nan 0.000 0.452 400 S N 0.195 115.825 115.700 -0.118 0.000 2.503 400 S HA 0.055 4.524 4.470 -0.000 0.000 0.217 400 S C 0.693 175.240 174.600 -0.090 0.000 0.999 400 S CA -0.193 57.950 58.200 -0.093 0.000 0.914 400 S CB -0.014 63.140 63.200 -0.077 0.000 0.782 400 S HN 0.043 nan 8.310 nan 0.000 0.520 401 N N 2.077 120.713 118.700 -0.105 0.000 2.569 401 N HA 0.430 5.170 4.740 -0.000 0.000 0.254 401 N C -2.632 172.806 175.510 -0.119 0.000 1.004 401 N CA -2.288 50.713 53.050 -0.081 0.000 0.904 401 N CB 1.892 40.343 38.487 -0.060 0.000 1.165 401 N HN -0.103 nan 8.380 nan 0.000 0.513 402 P HA -0.079 nan 4.420 nan 0.000 0.219 402 P C 0.844 178.054 177.300 -0.150 0.000 1.146 402 P CA 0.935 63.950 63.100 -0.141 0.000 0.808 402 P CB 0.345 32.103 31.700 0.097 0.000 0.779 403 A N -0.481 122.362 122.820 0.038 0.000 1.930 403 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 403 A C 2.122 179.704 177.584 -0.002 0.000 1.175 403 A CA 1.236 53.340 52.037 0.113 0.000 0.627 403 A CB -1.284 17.803 19.000 0.145 0.000 0.815 403 A HN 0.043 nan 8.150 nan 0.000 0.443 404 I N -0.208 120.316 120.570 -0.077 0.000 2.233 404 I HA -0.183 3.987 4.170 -0.000 0.000 0.243 404 I C 2.916 178.893 176.117 -0.232 0.000 1.093 404 I CA 1.479 62.713 61.300 -0.111 0.000 1.380 404 I CB -1.493 36.436 38.000 -0.118 0.000 1.067 404 I HN 0.360 nan 8.210 nan 0.000 0.413 405 A N -0.277 122.291 122.820 -0.419 0.000 1.930 405 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 405 A C 1.817 178.965 177.584 -0.726 0.000 1.175 405 A CA 1.480 53.086 52.037 -0.719 0.000 0.627 405 A CB -0.563 17.704 19.000 -1.222 0.000 0.815 405 A HN 0.525 nan 8.150 nan 0.000 0.443 406 Y N -1.454 118.642 120.300 -0.340 0.000 2.448 406 Y HA 0.339 4.888 4.550 -0.000 0.000 0.257 406 Y C 1.642 177.479 175.900 -0.106 0.000 1.089 406 Y CA -0.583 57.309 58.100 -0.347 0.000 1.245 406 Y CB 0.018 37.987 38.460 -0.818 0.000 1.282 406 Y HN 0.303 nan 8.280 nan 0.000 0.529 407 G N 1.075 109.949 108.800 0.123 0.000 2.651 407 G HA2 0.306 4.265 3.960 -0.000 0.000 0.260 407 G HA3 0.306 4.265 3.960 -0.000 0.000 0.260 407 G C 0.183 175.211 174.900 0.214 0.000 1.216 407 G CA -0.182 45.085 45.100 0.278 0.000 0.913 407 G HN 0.214 nan 8.290 nan 0.000 0.535 408 S N -1.264 114.573 115.700 0.228 0.000 2.600 408 S HA 0.534 5.004 4.470 -0.000 0.000 0.265 408 S C -0.029 174.685 174.600 0.190 0.000 1.325 408 S CA -0.364 57.945 58.200 0.182 0.000 1.002 408 S CB 1.369 64.664 63.200 0.159 0.000 0.921 408 S HN 0.557 nan 8.310 nan 0.000 0.554 409 T N 1.357 116.019 114.554 0.181 0.000 2.812 409 T HA 0.411 4.760 4.350 -0.000 0.000 0.282 409 T C -0.909 173.953 174.700 0.269 0.000 0.990 409 T CA -0.398 61.831 62.100 0.214 0.000 0.960 409 T CB 0.544 69.491 68.868 0.132 0.000 0.948 409 T HN 0.819 nan 8.240 nan 0.000 0.438 410 H N 2.183 121.367 119.070 0.189 0.000 2.823 410 H HA 0.293 4.849 4.556 -0.001 0.000 0.332 410 H C -0.660 174.793 175.328 0.208 0.000 0.980 410 H CA -0.650 55.498 56.048 0.168 0.000 1.286 410 H CB 1.096 30.945 29.762 0.145 0.000 1.541 410 H HN 0.491 nan 8.280 nan 0.000 0.521 411 E N 4.844 125.238 120.200 0.323 0.000 2.257 411 E HA 0.031 4.381 4.350 -0.000 0.000 0.278 411 E C 0.058 176.706 176.600 0.080 0.000 1.049 411 E CA -0.271 56.256 56.400 0.211 0.000 0.876 411 E CB 0.657 30.465 29.700 0.180 0.000 1.035 411 E HN 0.726 nan 8.360 nan 0.000 0.419 412 R N 3.324 123.850 120.500 0.044 0.000 2.225 412 R HA 0.123 4.462 4.340 -0.000 0.000 0.194 412 R C -0.113 176.302 176.300 0.192 0.000 0.957 412 R CA 0.278 56.386 56.100 0.013 0.000 1.042 412 R CB 0.342 30.634 30.300 -0.013 0.000 1.004 412 R HN 0.568 nan 8.270 nan 0.000 0.509 413 W N -0.247 121.066 121.300 0.022 0.000 3.363 413 W HA 0.582 5.242 4.660 0.000 0.000 0.306 413 W C -1.642 174.877 176.519 0.000 0.000 1.253 413 W CA -0.639 56.715 57.345 0.015 0.000 1.195 413 W CB 1.301 30.769 29.460 0.013 0.000 1.366 413 W HN -0.167 nan 8.180 nan 0.000 0.551 414 I N 5.143 125.575 120.570 -0.229 0.000 2.882 414 I HA 0.469 4.638 4.170 -0.000 0.000 0.298 414 I C -1.515 174.321 176.117 -0.469 0.000 1.462 414 I CA -0.473 60.701 61.300 -0.209 0.000 1.000 414 I CB 1.619 39.428 38.000 -0.317 0.000 1.340 414 I HN 0.638 nan 8.210 nan 0.000 0.462 415 N N 2.933 121.482 118.700 -0.251 0.000 3.364 415 N HA 0.344 5.084 4.740 -0.000 0.000 0.294 415 N C -0.467 174.961 175.510 -0.136 0.000 1.562 415 N CA -0.652 52.304 53.050 -0.157 0.000 0.862 415 N CB 0.042 38.523 38.487 -0.010 0.000 1.691 415 N HN 0.438 nan 8.380 nan 0.000 0.572 416 N N -0.443 118.269 118.700 0.021 0.000 2.205 416 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 416 N C -0.278 175.209 175.510 -0.038 0.000 1.015 416 N CA 1.463 54.526 53.050 0.022 0.000 0.862 416 N CB -0.207 38.320 38.487 0.065 0.000 0.986 416 N HN 0.529 nan 8.380 nan 0.000 0.429 417 D N -0.980 119.417 120.400 -0.004 0.000 2.474 417 D HA 0.168 4.808 4.640 -0.000 0.000 0.213 417 D C -0.367 175.952 176.300 0.031 0.000 1.120 417 D CA 0.156 54.156 54.000 -0.001 0.000 0.836 417 D CB 1.350 42.168 40.800 0.031 0.000 1.019 417 D HN -0.104 nan 8.370 nan 0.000 0.507 418 V N 1.738 121.697 119.914 0.075 0.000 2.656 418 V HA 0.476 4.595 4.120 -0.000 0.000 0.307 418 V C -0.459 175.731 176.094 0.160 0.000 1.051 418 V CA -0.869 61.523 62.300 0.154 0.000 0.893 418 V CB 3.040 35.020 31.823 0.262 0.000 0.999 418 V HN -0.082 nan 8.190 nan 0.000 0.426 419 I N 4.792 125.471 120.570 0.181 0.000 2.647 419 I HA 0.620 4.790 4.170 -0.000 0.000 0.295 419 I C -1.396 174.894 176.117 0.287 0.000 1.078 419 I CA -0.770 60.664 61.300 0.222 0.000 1.048 419 I CB 1.993 40.107 38.000 0.189 0.000 1.239 419 I HN 0.553 nan 8.210 nan 0.000 0.421 420 I N 7.818 128.573 120.570 0.308 0.000 2.447 420 I HA 0.335 4.505 4.170 -0.000 0.000 0.287 420 I C -1.351 174.915 176.117 0.249 0.000 1.023 420 I CA -0.659 60.779 61.300 0.230 0.000 1.083 420 I CB 1.526 39.681 38.000 0.258 0.000 1.245 420 I HN 0.464 nan 8.210 nan 0.000 0.434 421 Y N 3.136 123.542 120.300 0.176 0.000 2.570 421 Y HA 0.763 5.313 4.550 -0.001 0.000 0.345 421 Y C -0.719 175.257 175.900 0.126 0.000 1.014 421 Y CA -1.249 56.939 58.100 0.147 0.000 1.063 421 Y CB 1.196 39.769 38.460 0.189 0.000 1.272 421 Y HN 0.497 nan 8.280 nan 0.000 0.477 422 E N 2.093 122.455 120.200 0.270 0.000 2.238 422 E HA 0.517 4.867 4.350 -0.000 0.000 0.267 422 E C -1.213 175.553 176.600 0.276 0.000 0.887 422 E CA -1.142 55.368 56.400 0.184 0.000 0.769 422 E CB 1.174 30.930 29.700 0.093 0.000 1.187 422 E HN 0.648 nan 8.360 nan 0.000 0.416 423 R N 3.197 123.831 120.500 0.223 0.000 2.562 423 R HA 0.475 4.815 4.340 -0.000 0.000 0.298 423 R C -0.846 175.570 176.300 0.193 0.000 0.961 423 R CA -0.731 55.499 56.100 0.217 0.000 0.881 423 R CB 1.709 32.116 30.300 0.178 0.000 1.159 423 R HN 0.529 nan 8.270 nan 0.000 0.450 424 K N 2.135 122.666 120.400 0.218 0.000 2.535 424 K HA 0.431 4.750 4.320 -0.000 0.000 0.251 424 K C -1.886 174.895 176.600 0.301 0.000 0.942 424 K CA -0.564 55.856 56.287 0.222 0.000 0.798 424 K CB 1.460 34.076 32.500 0.194 0.000 1.267 424 K HN 0.421 nan 8.250 nan 0.000 0.434 425 F N 4.288 124.296 119.950 0.096 0.000 2.941 425 F HA 0.410 4.937 4.527 -0.000 0.000 0.359 425 F C 0.323 176.164 175.800 0.068 0.000 1.231 425 F CA 0.708 58.762 58.000 0.091 0.000 1.089 425 F CB 1.200 40.271 39.000 0.120 0.000 1.407 425 F HN 0.848 nan 8.300 nan 0.000 0.538 426 G N 5.310 113.949 108.800 -0.268 0.000 2.565 426 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.295 426 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.295 426 G C 0.529 175.420 174.900 -0.015 0.000 1.165 426 G CA 0.706 45.683 45.100 -0.205 0.000 0.977 426 G HN 0.685 nan 8.290 nan 0.000 0.546 427 N N 2.013 120.735 118.700 0.038 0.000 2.235 427 N HA 0.207 4.947 4.740 -0.000 0.000 0.209 427 N C -0.038 175.589 175.510 0.195 0.000 1.122 427 N CA -0.080 53.044 53.050 0.123 0.000 0.845 427 N CB 0.233 38.804 38.487 0.140 0.000 1.004 427 N HN 0.398 nan 8.380 nan 0.000 0.499 428 N N 0.707 119.506 118.700 0.165 0.000 2.479 428 N HA 0.325 5.065 4.740 -0.000 0.000 0.285 428 N C -0.980 174.640 175.510 0.183 0.000 1.075 428 N CA -0.053 53.095 53.050 0.163 0.000 0.967 428 N CB 2.374 40.956 38.487 0.159 0.000 1.137 428 N HN -0.206 nan 8.380 nan 0.000 0.472 429 V N 0.351 120.367 119.914 0.170 0.000 2.841 429 V HA 0.772 4.892 4.120 -0.000 0.000 0.310 429 V C -0.618 175.532 176.094 0.094 0.000 1.090 429 V CA -0.901 61.482 62.300 0.137 0.000 0.930 429 V CB 1.819 33.712 31.823 0.117 0.000 1.014 429 V HN 0.816 nan 8.190 nan 0.000 0.425 430 A N 3.026 125.893 122.820 0.077 0.000 2.449 430 A HA 0.953 5.273 4.320 -0.000 0.000 0.302 430 A C -1.432 176.174 177.584 0.037 0.000 1.048 430 A CA -0.619 51.444 52.037 0.043 0.000 0.708 430 A CB 2.140 21.153 19.000 0.022 0.000 1.274 430 A HN 0.774 nan 8.150 nan 0.000 0.410 431 V N 1.838 121.769 119.914 0.028 0.000 2.588 431 V HA 0.602 4.722 4.120 -0.000 0.000 0.304 431 V C -0.682 175.362 176.094 -0.084 0.000 1.042 431 V CA -0.509 61.814 62.300 0.038 0.000 0.877 431 V CB 1.745 33.683 31.823 0.192 0.000 0.996 431 V HN 0.743 nan 8.190 nan 0.000 0.425 432 V N 3.229 122.938 119.914 -0.341 0.000 2.656 432 V HA 0.899 5.019 4.120 -0.000 0.000 0.307 432 V C 0.043 175.930 176.094 -0.345 0.000 1.051 432 V CA -0.526 61.472 62.300 -0.503 0.000 0.893 432 V CB 1.902 33.227 31.823 -0.830 0.000 0.999 432 V HN 1.021 nan 8.190 nan 0.000 0.426 433 A N 5.873 128.559 122.820 -0.223 0.000 2.343 433 A HA 0.947 5.267 4.320 -0.000 0.000 0.316 433 A C -0.993 176.603 177.584 0.020 0.000 1.104 433 A CA -0.491 51.553 52.037 0.011 0.000 0.768 433 A CB 1.007 20.136 19.000 0.216 0.000 1.213 433 A HN 0.754 nan 8.150 nan 0.000 0.456 434 I N 2.070 122.709 120.570 0.116 0.000 2.499 434 I HA 0.315 4.485 4.170 -0.000 0.000 0.288 434 I C -0.397 175.813 176.117 0.153 0.000 1.048 434 I CA -0.391 60.998 61.300 0.147 0.000 1.062 434 I CB 2.307 40.459 38.000 0.253 0.000 1.238 434 I HN 0.819 nan 8.210 nan 0.000 0.426 435 N N 5.813 124.591 118.700 0.129 0.000 2.518 435 N HA 0.271 5.011 4.740 -0.000 0.000 0.254 435 N C 0.943 176.528 175.510 0.124 0.000 0.979 435 N CA -0.643 52.473 53.050 0.110 0.000 0.930 435 N CB 0.919 39.456 38.487 0.083 0.000 1.152 435 N HN 0.689 nan 8.380 nan 0.000 0.505 436 R N 2.196 122.770 120.500 0.123 0.000 2.275 436 R HA 0.050 4.390 4.340 -0.000 0.000 0.199 436 R C 0.202 176.557 176.300 0.093 0.000 0.989 436 R CA -0.030 56.154 56.100 0.140 0.000 1.016 436 R CB -0.119 30.234 30.300 0.090 0.000 0.918 436 R HN 0.349 nan 8.270 nan 0.000 0.473 437 N N 1.205 119.946 118.700 0.068 0.000 2.470 437 N HA 0.007 4.747 4.740 -0.000 0.000 0.268 437 N C 0.380 175.926 175.510 0.059 0.000 1.136 437 N CA 0.011 53.094 53.050 0.054 0.000 0.961 437 N CB 0.964 39.478 38.487 0.045 0.000 1.067 437 N HN 0.139 nan 8.380 nan 0.000 0.468 438 M N 2.351 121.985 119.600 0.056 0.000 2.502 438 M HA 0.028 4.508 4.480 -0.000 0.000 0.243 438 M C 0.758 177.084 176.300 0.044 0.000 1.130 438 M CA 0.483 55.816 55.300 0.056 0.000 1.055 438 M CB -0.540 32.096 32.600 0.059 0.000 1.457 438 M HN 0.625 nan 8.290 nan 0.000 0.488 439 N N -0.660 118.063 118.700 0.038 0.000 2.166 439 N HA 0.049 4.789 4.740 -0.000 0.000 0.213 439 N C -0.441 175.087 175.510 0.031 0.000 1.222 439 N CA 0.016 53.085 53.050 0.032 0.000 0.900 439 N CB 0.716 39.220 38.487 0.027 0.000 1.055 439 N HN -0.006 nan 8.380 nan 0.000 0.515 440 T N 3.572 118.146 114.554 0.033 0.000 2.786 440 T HA 0.370 4.720 4.350 -0.000 0.000 0.283 440 T C -2.782 171.938 174.700 0.032 0.000 0.992 440 T CA -1.283 60.836 62.100 0.031 0.000 0.954 440 T CB 2.527 71.414 68.868 0.032 0.000 0.934 440 T HN 0.022 nan 8.240 nan 0.000 0.440 441 P HA 0.333 nan 4.420 nan 0.000 0.269 441 P C -1.069 176.233 177.300 0.003 0.000 1.209 441 P CA -0.453 62.658 63.100 0.019 0.000 0.776 441 P CB 0.583 32.294 31.700 0.018 0.000 0.876 442 A N 2.236 125.041 122.820 -0.026 0.000 2.276 442 A HA 0.388 4.708 4.320 -0.000 0.000 0.316 442 A C 0.422 177.897 177.584 -0.181 0.000 1.229 442 A CA -0.524 51.471 52.037 -0.070 0.000 0.851 442 A CB 0.259 19.205 19.000 -0.089 0.000 1.165 442 A HN 0.467 nan 8.150 nan 0.000 0.513 443 S N 3.321 118.931 115.700 -0.148 0.000 2.430 443 S HA 0.394 4.863 4.470 -0.000 0.000 0.282 443 S C -0.016 174.334 174.600 -0.416 0.000 1.186 443 S CA -0.490 57.581 58.200 -0.215 0.000 1.060 443 S CB -0.545 62.606 63.200 -0.081 0.000 0.966 443 S HN 0.444 nan 8.310 nan 0.000 0.501 444 I N 5.975 126.097 120.570 -0.747 0.000 2.315 444 I HA 0.315 4.485 4.170 -0.000 0.000 0.291 444 I C 0.716 176.493 176.117 -0.568 0.000 1.006 444 I CA -0.252 60.400 61.300 -1.080 0.000 1.265 444 I CB 0.528 37.552 38.000 -1.627 0.000 1.387 444 I HN 0.684 nan 8.210 nan 0.000 0.475 445 T N 0.510 114.932 114.554 -0.221 0.000 2.876 445 T HA 0.668 5.018 4.350 -0.000 0.000 0.289 445 T C 0.554 175.341 174.700 0.145 0.000 1.014 445 T CA -0.237 61.852 62.100 -0.019 0.000 0.986 445 T CB 1.994 70.893 68.868 0.052 0.000 1.021 445 T HN 1.050 nan 8.240 nan 0.000 0.458 446 G N 0.909 109.770 108.800 0.101 0.000 2.137 446 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.237 446 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.237 446 G C -0.225 174.787 174.900 0.186 0.000 1.002 446 G CA -0.028 45.161 45.100 0.149 0.000 0.702 446 G HN 1.095 nan 8.290 nan 0.000 0.515 447 L N 1.006 122.302 121.223 0.122 0.000 2.360 447 L HA 0.689 5.029 4.340 -0.000 0.000 0.276 447 L C 0.236 177.157 176.870 0.085 0.000 1.121 447 L CA -0.484 54.436 54.840 0.133 0.000 0.845 447 L CB 1.494 43.586 42.059 0.055 0.000 1.143 447 L HN 0.090 nan 8.230 nan 0.000 0.452 448 V N 4.408 124.372 119.914 0.083 0.000 2.628 448 V HA 0.791 4.911 4.120 -0.000 0.000 0.306 448 V C 0.173 176.278 176.094 0.019 0.000 1.045 448 V CA -0.057 62.270 62.300 0.044 0.000 0.905 448 V CB 2.036 33.892 31.823 0.056 0.000 0.997 448 V HN 0.988 nan 8.190 nan 0.000 0.436 449 T N -0.133 114.419 114.554 -0.002 0.000 2.804 449 T HA 0.378 4.728 4.350 -0.000 0.000 0.290 449 T C 0.258 174.955 174.700 -0.005 0.000 1.099 449 T CA -0.428 61.661 62.100 -0.017 0.000 1.011 449 T CB 1.852 70.686 68.868 -0.056 0.000 1.291 449 T HN 0.312 nan 8.240 nan 0.000 0.523 450 S N 0.067 115.769 115.700 0.002 0.000 2.597 450 S HA 0.327 4.797 4.470 -0.000 0.000 0.224 450 S C 0.423 174.997 174.600 -0.044 0.000 0.955 450 S CA -0.491 57.716 58.200 0.011 0.000 0.933 450 S CB -0.705 62.532 63.200 0.062 0.000 0.788 450 S HN 0.447 nan 8.310 nan 0.000 0.488 451 L N 3.768 124.929 121.223 -0.105 0.000 2.380 451 L HA 0.298 4.637 4.340 -0.000 0.000 0.273 451 L C -1.946 174.839 176.870 -0.143 0.000 1.138 451 L CA -2.007 52.713 54.840 -0.200 0.000 0.832 451 L CB 0.367 42.184 42.059 -0.403 0.000 1.124 451 L HN 0.014 nan 8.230 nan 0.000 0.454 452 P HA 0.015 nan 4.420 nan 0.000 0.272 452 P C -0.652 176.645 177.300 -0.005 0.000 1.240 452 P CA -0.599 62.399 63.100 -0.170 0.000 0.791 452 P CB 0.510 31.987 31.700 -0.373 0.000 0.978 453 R N 0.347 120.831 120.500 -0.026 0.000 2.537 453 R HA 0.371 4.711 4.340 -0.000 0.000 0.281 453 R C 0.386 176.658 176.300 -0.048 0.000 0.988 453 R CA 1.309 57.402 56.100 -0.011 0.000 1.077 453 R CB -0.651 29.628 30.300 -0.035 0.000 0.932 453 R HN 0.861 nan 8.270 nan 0.000 0.409 454 G N 0.964 109.709 108.800 -0.091 0.000 2.313 454 G HA2 0.135 4.094 3.960 -0.000 0.000 0.296 454 G HA3 0.135 4.094 3.960 -0.000 0.000 0.296 454 G C -1.629 173.047 174.900 -0.373 0.000 1.356 454 G CA -0.818 44.088 45.100 -0.324 0.000 0.833 454 G HN 0.449 nan 8.290 nan 0.000 0.552 455 S N 0.435 115.877 115.700 -0.430 0.000 2.505 455 S HA 0.492 4.962 4.470 -0.000 0.000 0.280 455 S C -0.988 173.409 174.600 -0.338 0.000 1.197 455 S CA -0.303 57.727 58.200 -0.285 0.000 1.138 455 S CB 0.124 63.221 63.200 -0.172 0.000 1.010 455 S HN 0.390 nan 8.310 nan 0.000 0.480 456 Y N 2.355 122.595 120.300 -0.099 0.000 2.359 456 Y HA 0.218 4.768 4.550 -0.000 0.000 0.334 456 Y C 0.872 176.840 175.900 0.114 0.000 1.058 456 Y CA -0.560 57.545 58.100 0.008 0.000 1.244 456 Y CB 0.353 38.811 38.460 -0.003 0.000 1.187 456 Y HN 0.494 nan 8.280 nan 0.000 0.510 457 N N 1.991 120.850 118.700 0.266 0.000 2.499 457 N HA 0.057 4.797 4.740 -0.000 0.000 0.281 457 N C -1.052 174.632 175.510 0.289 0.000 1.098 457 N CA -0.703 52.483 53.050 0.226 0.000 0.979 457 N CB 0.478 39.031 38.487 0.108 0.000 1.121 457 N HN 0.537 nan 8.380 nan 0.000 0.466 458 D N 1.876 122.407 120.400 0.218 0.000 2.451 458 D HA -0.063 4.577 4.640 -0.000 0.000 0.254 458 D C 0.938 177.206 176.300 -0.053 0.000 1.204 458 D CA 0.051 54.029 54.000 -0.036 0.000 0.896 458 D CB 0.629 41.389 40.800 -0.066 0.000 1.136 458 D HN 0.220 nan 8.370 nan 0.000 0.499 459 V N 4.657 124.512 119.914 -0.098 0.000 2.453 459 V HA -0.246 3.873 4.120 -0.000 0.000 0.252 459 V C 2.274 178.321 176.094 -0.078 0.000 1.068 459 V CA 1.368 63.628 62.300 -0.068 0.000 1.070 459 V CB -0.496 31.276 31.823 -0.084 0.000 0.664 459 V HN 0.652 nan 8.190 nan 0.000 0.461 460 L N 0.418 121.573 121.223 -0.114 0.000 2.610 460 L HA 0.173 4.513 4.340 -0.000 0.000 0.232 460 L C 1.743 178.584 176.870 -0.049 0.000 1.149 460 L CA 0.774 55.564 54.840 -0.084 0.000 0.872 460 L CB -0.804 41.190 42.059 -0.108 0.000 0.992 460 L HN 0.556 nan 8.230 nan 0.000 0.447 461 G N 0.171 108.950 108.800 -0.037 0.000 2.283 461 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.280 461 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.280 461 G C 1.005 175.902 174.900 -0.006 0.000 1.029 461 G CA 0.399 45.493 45.100 -0.011 0.000 0.840 461 G HN 0.671 nan 8.290 nan 0.000 0.505 462 G N -0.815 107.977 108.800 -0.015 0.000 2.168 462 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.263 462 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.263 462 G C 1.322 176.221 174.900 -0.001 0.000 0.977 462 G CA 1.204 46.302 45.100 -0.003 0.000 0.659 462 G HN 2.001 nan 8.290 nan 0.000 0.533 463 I N -2.317 118.249 120.570 -0.006 0.000 2.676 463 I HA 0.279 4.449 4.170 -0.000 0.000 0.259 463 I C 1.536 177.658 176.117 0.008 0.000 1.194 463 I CA 0.971 62.275 61.300 0.006 0.000 1.473 463 I CB -0.115 37.892 38.000 0.012 0.000 1.096 463 I HN 0.172 nan 8.210 nan 0.000 0.443 464 L N 2.537 123.756 121.223 -0.007 0.000 3.108 464 L HA 0.347 4.687 4.340 -0.000 0.000 0.251 464 L C -0.088 176.785 176.870 0.004 0.000 1.315 464 L CA -0.285 54.556 54.840 0.001 0.000 1.048 464 L CB -0.620 41.431 42.059 -0.013 0.000 1.432 464 L HN 0.288 nan 8.230 nan 0.000 0.543 465 N N 0.658 119.365 118.700 0.012 0.000 2.735 465 N HA -0.149 4.591 4.740 -0.000 0.000 0.248 465 N C 0.637 176.163 175.510 0.028 0.000 1.083 465 N CA 0.870 53.934 53.050 0.024 0.000 0.703 465 N CB -0.825 37.683 38.487 0.036 0.000 1.005 465 N HN 0.634 nan 8.380 nan 0.000 0.550 466 G N 0.449 109.249 108.800 -0.001 0.000 2.588 466 G HA2 0.442 4.402 3.960 -0.000 0.000 0.278 466 G HA3 0.442 4.402 3.960 -0.000 0.000 0.278 466 G C 0.382 175.314 174.900 0.052 0.000 1.307 466 G CA -0.164 44.931 45.100 -0.008 0.000 1.016 466 G HN 0.492 nan 8.290 nan 0.000 0.503 467 N N -2.042 116.729 118.700 0.119 0.000 2.853 467 N HA 0.272 5.012 4.740 -0.000 0.000 0.258 467 N C -1.121 174.519 175.510 0.217 0.000 1.444 467 N CA -0.623 52.498 53.050 0.118 0.000 0.837 467 N CB 1.245 39.776 38.487 0.074 0.000 1.489 467 N HN 0.343 nan 8.380 nan 0.000 0.529 468 T N 0.869 115.477 114.554 0.090 0.000 2.910 468 T HA 0.319 4.669 4.350 -0.000 0.000 0.293 468 T C -0.136 174.425 174.700 -0.230 0.000 1.015 468 T CA -0.268 61.868 62.100 0.060 0.000 1.094 468 T CB 0.484 69.354 68.868 0.003 0.000 0.968 468 T HN 0.376 nan 8.240 nan 0.000 0.521 469 L N 3.008 123.938 121.223 -0.488 0.000 2.305 469 L HA 0.458 4.798 4.340 -0.000 0.000 0.284 469 L C -0.166 176.469 176.870 -0.391 0.000 1.013 469 L CA -0.055 54.275 54.840 -0.850 0.000 0.819 469 L CB 1.432 42.445 42.059 -1.743 0.000 1.227 469 L HN 0.594 nan 8.230 nan 0.000 0.417 470 T N 4.689 119.071 114.554 -0.286 0.000 2.749 470 T HA 0.573 4.923 4.350 -0.000 0.000 0.287 470 T C -0.503 174.133 174.700 -0.106 0.000 0.970 470 T CA -0.330 61.682 62.100 -0.147 0.000 0.980 470 T CB 1.010 69.812 68.868 -0.110 0.000 0.924 470 T HN 0.331 nan 8.240 nan 0.000 0.456 471 V N 3.198 123.090 119.914 -0.037 0.000 2.448 471 V HA 0.736 4.856 4.120 -0.000 0.000 0.295 471 V C 0.812 176.901 176.094 -0.009 0.000 1.025 471 V CA -0.613 61.679 62.300 -0.012 0.000 0.859 471 V CB 1.707 33.566 31.823 0.059 0.000 0.988 471 V HN 0.996 nan 8.190 nan 0.000 0.431 472 G N 2.517 111.306 108.800 -0.018 0.000 2.782 472 G HA2 0.676 4.635 3.960 -0.000 0.000 0.201 472 G HA3 0.676 4.635 3.960 -0.000 0.000 0.201 472 G C 0.016 174.907 174.900 -0.015 0.000 1.374 472 G CA -0.158 44.931 45.100 -0.018 0.000 1.039 472 G HN 1.033 nan 8.290 nan 0.000 0.576 473 A N -1.645 121.167 122.820 -0.013 0.000 2.440 473 A HA 0.527 4.846 4.320 -0.000 0.000 0.251 473 A C 1.371 178.951 177.584 -0.006 0.000 1.089 473 A CA 1.029 53.060 52.037 -0.011 0.000 0.779 473 A CB -0.299 18.696 19.000 -0.008 0.000 1.022 473 A HN 2.475 nan 8.150 nan 0.000 0.492 474 G N 0.786 109.581 108.800 -0.007 0.000 2.143 474 G HA2 0.152 4.112 3.960 -0.000 0.000 0.248 474 G HA3 0.152 4.112 3.960 -0.000 0.000 0.248 474 G C 1.596 176.495 174.900 -0.001 0.000 0.991 474 G CA 0.959 46.058 45.100 -0.001 0.000 0.689 474 G HN 2.786 nan 8.290 nan 0.000 0.522 475 G N -1.409 107.384 108.800 -0.012 0.000 2.168 475 G HA2 0.147 4.107 3.960 -0.000 0.000 0.263 475 G HA3 0.147 4.107 3.960 -0.000 0.000 0.263 475 G C 0.793 175.684 174.900 -0.014 0.000 0.977 475 G CA 1.250 46.338 45.100 -0.019 0.000 0.659 475 G HN 2.350 nan 8.290 nan 0.000 0.533 476 A N 0.030 122.847 122.820 -0.005 0.000 2.409 476 A HA 0.804 5.124 4.320 -0.000 0.000 0.267 476 A C 0.843 178.420 177.584 -0.012 0.000 1.127 476 A CA 0.937 52.975 52.037 0.002 0.000 0.795 476 A CB 0.516 19.522 19.000 0.010 0.000 1.061 476 A HN 2.033 nan 8.150 nan 0.000 0.502 477 A N 2.955 125.766 122.820 -0.014 0.000 2.316 477 A HA 0.594 4.913 4.320 -0.000 0.000 0.284 477 A C 0.866 178.451 177.584 0.002 0.000 1.115 477 A CA 0.138 52.153 52.037 -0.036 0.000 0.812 477 A CB 0.049 19.018 19.000 -0.053 0.000 1.064 477 A HN 1.774 nan 8.150 nan 0.000 0.489 478 S N 2.844 118.540 115.700 -0.008 0.000 2.576 478 S HA 0.179 4.649 4.470 -0.000 0.000 0.276 478 S C 0.128 174.786 174.600 0.097 0.000 1.339 478 S CA -0.828 57.385 58.200 0.023 0.000 1.039 478 S CB 0.098 63.300 63.200 0.003 0.000 0.902 478 S HN 0.653 nan 8.310 nan 0.000 0.516 479 N N 1.689 120.431 118.700 0.069 0.000 2.395 479 N HA 0.404 5.144 4.740 -0.000 0.000 0.246 479 N C -0.353 175.250 175.510 0.154 0.000 1.246 479 N CA 0.205 53.284 53.050 0.048 0.000 0.879 479 N CB -0.371 38.102 38.487 -0.023 0.000 1.098 479 N HN 0.767 nan 8.380 nan 0.000 0.444 480 F N -3.138 116.748 119.950 -0.108 0.000 2.741 480 F HA 0.531 5.058 4.527 0.000 0.000 0.313 480 F C -0.761 174.986 175.800 -0.088 0.000 1.153 480 F CA -1.147 56.804 58.000 -0.083 0.000 0.931 480 F CB 0.964 39.917 39.000 -0.079 0.000 1.335 480 F HN 0.065 nan 8.300 nan 0.000 0.460 481 T N 3.138 117.738 114.554 0.076 0.000 2.749 481 T HA 0.480 4.830 4.350 -0.000 0.000 0.287 481 T C -0.952 173.819 174.700 0.119 0.000 0.970 481 T CA -0.315 61.770 62.100 -0.026 0.000 0.980 481 T CB 1.116 69.995 68.868 0.017 0.000 0.924 481 T HN 0.649 nan 8.240 nan 0.000 0.456 482 L N 4.383 125.614 121.223 0.014 0.000 2.281 482 L HA 0.621 4.961 4.340 -0.000 0.000 0.285 482 L C 0.618 177.538 176.870 0.083 0.000 1.074 482 L CA -0.322 54.607 54.840 0.148 0.000 0.817 482 L CB -0.136 41.979 42.059 0.093 0.000 1.168 482 L HN 0.789 nan 8.230 nan 0.000 0.434 483 A N 6.974 129.855 122.820 0.101 0.000 2.547 483 A HA 0.319 4.639 4.320 -0.000 0.000 0.233 483 A C -2.202 175.418 177.584 0.059 0.000 1.067 483 A CA -0.781 51.298 52.037 0.070 0.000 0.763 483 A CB -0.954 18.087 19.000 0.067 0.000 1.007 483 A HN 0.703 nan 8.150 nan 0.000 0.506 484 P HA 0.161 nan 4.420 nan 0.000 0.258 484 P C 0.998 178.333 177.300 0.058 0.000 1.172 484 P CA 1.978 65.108 63.100 0.051 0.000 0.762 484 P CB 0.232 31.958 31.700 0.043 0.000 0.764 485 G N 2.362 111.204 108.800 0.069 0.000 2.168 485 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.263 485 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.263 485 G C 0.644 175.585 174.900 0.070 0.000 0.977 485 G CA -0.131 45.016 45.100 0.078 0.000 0.659 485 G HN 0.889 nan 8.290 nan 0.000 0.533 486 G N -0.527 108.314 108.800 0.067 0.000 2.441 486 G HA2 0.545 4.505 3.960 -0.000 0.000 0.243 486 G HA3 0.545 4.505 3.960 -0.000 0.000 0.243 486 G C -0.111 174.814 174.900 0.043 0.000 1.281 486 G CA 0.981 46.115 45.100 0.057 0.000 0.854 486 G HN 0.765 nan 8.290 nan 0.000 0.560 487 T N 0.310 114.861 114.554 -0.006 0.000 2.991 487 T HA 0.659 5.009 4.350 -0.000 0.000 0.303 487 T C -0.355 174.242 174.700 -0.170 0.000 1.015 487 T CA -0.005 62.057 62.100 -0.062 0.000 1.007 487 T CB 1.738 70.579 68.868 -0.045 0.000 1.034 487 T HN 1.131 nan 8.240 nan 0.000 0.446 488 A N 2.396 125.011 122.820 -0.341 0.000 2.515 488 A HA 0.886 5.206 4.320 -0.000 0.000 0.298 488 A C -1.319 175.695 177.584 -0.950 0.000 1.059 488 A CA -0.696 50.943 52.037 -0.663 0.000 0.698 488 A CB 1.634 20.112 19.000 -0.869 0.000 1.289 488 A HN 0.656 nan 8.150 nan 0.000 0.404 489 V N 2.283 121.647 119.914 -0.917 0.000 2.531 489 V HA 0.599 4.719 4.120 -0.000 0.000 0.301 489 V C -1.037 174.645 176.094 -0.687 0.000 1.034 489 V CA -0.476 61.418 62.300 -0.676 0.000 0.865 489 V CB 1.484 33.103 31.823 -0.338 0.000 0.995 489 V HN 0.832 nan 8.190 nan 0.000 0.424 490 W N 3.723 124.970 121.300 -0.089 0.000 2.844 490 W HA 0.756 5.416 4.660 -0.000 0.000 0.340 490 W C -0.323 176.129 176.519 -0.113 0.000 1.093 490 W CA -0.618 56.677 57.345 -0.083 0.000 1.212 490 W CB 2.149 31.524 29.460 -0.141 0.000 1.422 490 W HN 0.711 nan 8.180 nan 0.000 0.515 491 Q N 1.150 121.033 119.800 0.139 0.000 2.575 491 Q HA 0.635 4.975 4.340 -0.000 0.000 0.290 491 Q C -2.347 173.756 176.000 0.173 0.000 0.963 491 Q CA -1.050 54.803 55.803 0.083 0.000 0.783 491 Q CB 3.421 32.198 28.738 0.065 0.000 1.467 491 Q HN 0.402 nan 8.270 nan 0.000 0.402 492 Y N 0.634 120.948 120.300 0.023 0.000 2.441 492 Y HA 0.598 5.148 4.550 0.000 0.000 0.334 492 Y C -1.706 174.236 175.900 0.071 0.000 1.061 492 Y CA -0.066 58.093 58.100 0.097 0.000 1.032 492 Y CB 2.434 40.948 38.460 0.090 0.000 1.266 492 Y HN 0.940 nan 8.280 nan 0.000 0.441 493 T N 1.735 115.909 114.554 -0.632 0.000 2.893 493 T HA 0.933 5.283 4.350 -0.000 0.000 0.291 493 T C -0.740 173.598 174.700 -0.602 0.000 1.028 493 T CA -0.478 61.364 62.100 -0.430 0.000 0.995 493 T CB 2.031 70.780 68.868 -0.198 0.000 1.051 493 T HN 0.727 nan 8.240 nan 0.000 0.470 494 T N 0.036 114.422 114.554 -0.281 0.000 2.787 494 T HA 0.554 4.904 4.350 -0.000 0.000 0.297 494 T C -1.475 173.197 174.700 -0.047 0.000 1.221 494 T CA -1.016 60.998 62.100 -0.144 0.000 1.006 494 T CB 1.004 69.873 68.868 0.001 0.000 1.328 494 T HN 0.612 nan 8.240 nan 0.000 0.509 495 D N 0.595 120.983 120.400 -0.020 0.000 2.256 495 D HA 0.575 5.215 4.640 -0.000 0.000 0.250 495 D C -0.234 176.065 176.300 -0.002 0.000 1.093 495 D CA -0.116 53.877 54.000 -0.012 0.000 0.882 495 D CB 0.927 41.722 40.800 -0.008 0.000 1.185 495 D HN 0.837 nan 8.370 nan 0.000 0.437 496 A N 1.092 123.901 122.820 -0.018 0.000 2.303 496 A HA 0.484 4.804 4.320 -0.000 0.000 0.317 496 A C 0.979 178.551 177.584 -0.021 0.000 1.149 496 A CA -0.546 51.472 52.037 -0.031 0.000 0.822 496 A CB 0.744 19.695 19.000 -0.082 0.000 1.131 496 A HN 0.669 nan 8.150 nan 0.000 0.493 497 T N -0.898 113.651 114.554 -0.009 0.000 3.015 497 T HA 0.115 4.465 4.350 -0.000 0.000 0.250 497 T C 0.747 175.458 174.700 0.018 0.000 1.057 497 T CA 0.809 62.916 62.100 0.011 0.000 1.066 497 T CB -0.195 68.683 68.868 0.017 0.000 0.959 497 T HN 0.517 nan 8.240 nan 0.000 0.488 498 T N 4.334 118.886 114.554 -0.004 0.000 2.856 498 T HA 0.416 4.766 4.350 -0.000 0.000 0.292 498 T C -2.701 172.004 174.700 0.008 0.000 0.980 498 T CA -1.188 60.915 62.100 0.006 0.000 1.091 498 T CB 1.206 70.060 68.868 -0.022 0.000 0.936 498 T HN 0.056 nan 8.240 nan 0.000 0.503 499 P HA 0.362 nan 4.420 nan 0.000 0.271 499 P C -0.865 176.479 177.300 0.074 0.000 1.216 499 P CA -0.118 63.083 63.100 0.168 0.000 0.771 499 P CB 0.294 32.187 31.700 0.322 0.000 0.864 500 I N 3.455 124.032 120.570 0.011 0.000 2.534 500 I HA 0.364 4.534 4.170 -0.000 0.000 0.288 500 I C -0.186 176.020 176.117 0.149 0.000 1.077 500 I CA -0.608 60.649 61.300 -0.072 0.000 1.051 500 I CB 1.871 39.547 38.000 -0.540 0.000 1.234 500 I HN 0.123 nan 8.210 nan 0.000 0.425 501 I N 4.587 125.280 120.570 0.205 0.000 2.342 501 I HA 0.339 4.508 4.170 -0.000 0.000 0.291 501 I C 1.173 177.377 176.117 0.146 0.000 1.010 501 I CA 0.150 61.551 61.300 0.169 0.000 1.308 501 I CB 1.584 39.610 38.000 0.044 0.000 1.400 501 I HN 0.852 nan 8.210 nan 0.000 0.488 502 G N 4.899 113.580 108.800 -0.198 0.000 2.709 502 G HA2 0.103 4.062 3.960 -0.000 0.000 0.208 502 G HA3 0.103 4.062 3.960 -0.000 0.000 0.208 502 G C 0.245 174.927 174.900 -0.364 0.000 1.129 502 G CA 0.112 44.908 45.100 -0.507 0.000 0.793 502 G HN 0.661 nan 8.290 nan 0.000 0.524 503 N N -1.760 116.619 118.700 -0.535 0.000 3.043 503 N HA 0.436 5.176 4.740 -0.000 0.000 0.243 503 N C -2.204 172.966 175.510 -0.567 0.000 1.347 503 N CA -0.556 52.233 53.050 -0.436 0.000 0.896 503 N CB 2.269 40.720 38.487 -0.059 0.000 1.501 503 N HN -0.138 nan 8.380 nan 0.000 0.504 504 V N 0.494 120.119 119.914 -0.482 0.000 2.808 504 V HA 0.880 5.000 4.120 -0.000 0.000 0.308 504 V C -0.297 175.788 176.094 -0.016 0.000 1.099 504 V CA -0.475 61.650 62.300 -0.291 0.000 0.920 504 V CB 1.725 33.340 31.823 -0.346 0.000 1.014 504 V HN 0.830 nan 8.190 nan 0.000 0.425 505 G N 4.267 113.093 108.800 0.043 0.000 2.760 505 G HA2 0.716 4.676 3.960 -0.000 0.000 0.296 505 G HA3 0.716 4.676 3.960 -0.000 0.000 0.296 505 G C -3.340 171.636 174.900 0.127 0.000 1.427 505 G CA -1.113 44.062 45.100 0.125 0.000 1.109 505 G HN 0.487 nan 8.290 nan 0.000 0.553 506 P HA 0.241 nan 4.420 nan 0.000 0.275 506 P C 0.288 177.730 177.300 0.236 0.000 1.266 506 P CA -0.422 62.772 63.100 0.155 0.000 0.793 506 P CB 1.372 33.129 31.700 0.095 0.000 1.074 507 M N -0.478 119.184 119.600 0.104 0.000 2.371 507 M HA 0.278 4.758 4.480 -0.000 0.000 0.246 507 M C 0.582 176.606 176.300 -0.460 0.000 1.103 507 M CA 0.383 55.690 55.300 0.012 0.000 1.010 507 M CB -0.498 32.138 32.600 0.058 0.000 1.457 507 M HN 0.452 nan 8.290 nan 0.000 0.486 508 M N 0.785 120.171 119.600 -0.358 0.000 2.255 508 M HA 0.611 5.091 4.480 -0.000 0.000 0.275 508 M C -2.215 173.961 176.300 -0.207 0.000 1.050 508 M CA -0.195 54.863 55.300 -0.404 0.000 0.978 508 M CB 2.177 34.634 32.600 -0.238 0.000 1.761 508 M HN 0.011 nan 8.290 nan 0.000 0.479 509 A N 3.811 126.537 122.820 -0.157 0.000 2.586 509 A HA 0.611 4.931 4.320 -0.000 0.000 0.291 509 A C -1.768 175.829 177.584 0.023 0.000 1.062 509 A CA -0.963 51.067 52.037 -0.010 0.000 0.666 509 A CB 1.595 20.647 19.000 0.088 0.000 1.281 509 A HN 0.922 nan 8.150 nan 0.000 0.421 510 K N 0.256 120.667 120.400 0.018 0.000 2.107 510 K HA 0.623 4.943 4.320 -0.000 0.000 0.251 510 K C -2.645 173.957 176.600 0.004 0.000 1.012 510 K CA -1.492 54.802 56.287 0.011 0.000 0.920 510 K CB 0.031 32.532 32.500 0.001 0.000 1.033 510 K HN 0.256 nan 8.250 nan 0.000 0.478 511 P HA -0.083 nan 4.420 nan 0.000 0.263 511 P C 0.454 177.718 177.300 -0.060 0.000 1.175 511 P CA 1.628 64.682 63.100 -0.076 0.000 0.761 511 P CB 0.422 32.073 31.700 -0.081 0.000 0.794 512 G N 0.853 109.603 108.800 -0.083 0.000 2.213 512 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.236 512 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.236 512 G C 0.134 175.011 174.900 -0.037 0.000 0.991 512 G CA -0.182 44.883 45.100 -0.058 0.000 0.629 512 G HN 0.548 nan 8.290 nan 0.000 0.517 513 V N 2.183 122.086 119.914 -0.018 0.000 2.686 513 V HA 0.486 4.606 4.120 -0.000 0.000 0.295 513 V C 0.985 177.084 176.094 0.007 0.000 1.055 513 V CA 0.503 62.806 62.300 0.005 0.000 1.050 513 V CB 1.499 33.344 31.823 0.038 0.000 0.984 513 V HN 0.313 nan 8.190 nan 0.000 0.482 514 T N 6.716 121.271 114.554 0.001 0.000 2.794 514 T HA 0.500 4.850 4.350 -0.000 0.000 0.296 514 T C -0.009 174.706 174.700 0.025 0.000 0.949 514 T CA 0.036 62.137 62.100 0.002 0.000 1.101 514 T CB 0.148 69.007 68.868 -0.015 0.000 0.905 514 T HN 0.581 nan 8.240 nan 0.000 0.516 515 I N 0.022 120.613 120.570 0.034 0.000 2.947 515 I HA 0.726 4.896 4.170 -0.000 0.000 0.314 515 I C -0.244 175.859 176.117 -0.024 0.000 1.028 515 I CA -0.849 60.476 61.300 0.042 0.000 1.077 515 I CB 1.858 39.905 38.000 0.079 0.000 1.274 515 I HN 0.280 nan 8.210 nan 0.000 0.485 516 T N 4.595 119.130 114.554 -0.032 0.000 2.770 516 T HA 0.600 4.949 4.350 -0.000 0.000 0.283 516 T C -0.268 174.354 174.700 -0.129 0.000 0.988 516 T CA -0.195 61.861 62.100 -0.073 0.000 0.957 516 T CB 0.825 69.671 68.868 -0.036 0.000 0.930 516 T HN 0.358 nan 8.240 nan 0.000 0.443 517 I N 3.520 123.970 120.570 -0.200 0.000 2.362 517 I HA 0.393 4.563 4.170 -0.000 0.000 0.289 517 I C -0.440 175.591 176.117 -0.145 0.000 0.994 517 I CA -0.792 60.347 61.300 -0.269 0.000 1.158 517 I CB 1.435 39.175 38.000 -0.433 0.000 1.315 517 I HN 0.445 nan 8.210 nan 0.000 0.451 518 D N 4.474 124.802 120.400 -0.120 0.000 2.342 518 D HA 0.790 5.430 4.640 -0.000 0.000 0.243 518 D C 0.222 176.425 176.300 -0.161 0.000 1.019 518 D CA -0.075 53.887 54.000 -0.063 0.000 0.864 518 D CB 2.497 43.225 40.800 -0.119 0.000 1.315 518 D HN 0.779 nan 8.370 nan 0.000 0.468 519 G N 0.534 109.175 108.800 -0.265 0.000 2.552 519 G HA2 0.305 4.265 3.960 -0.000 0.000 0.137 519 G HA3 0.305 4.265 3.960 -0.000 0.000 0.137 519 G C -1.321 173.288 174.900 -0.485 0.000 1.135 519 G CA -0.568 44.310 45.100 -0.370 0.000 1.047 519 G HN 0.299 nan 8.290 nan 0.000 0.501 520 R N -0.900 119.267 120.500 -0.554 0.000 2.707 520 R HA 0.622 4.961 4.340 -0.000 0.000 0.272 520 R C 0.481 176.452 176.300 -0.547 0.000 1.011 520 R CA 0.034 55.869 56.100 -0.442 0.000 0.893 520 R CB 1.196 31.486 30.300 -0.016 0.000 1.233 520 R HN 2.238 nan 8.270 nan 0.000 0.464 521 G N 0.716 109.308 108.800 -0.347 0.000 2.143 521 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.249 521 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.249 521 G C 0.659 175.579 174.900 0.035 0.000 0.981 521 G CA 0.437 45.459 45.100 -0.131 0.000 0.665 521 G HN 0.562 nan 8.290 nan 0.000 0.528 522 F N 1.054 121.020 119.950 0.027 0.000 2.325 522 F HA 0.297 4.824 4.527 -0.000 0.000 0.299 522 F C 2.052 178.078 175.800 0.376 0.000 1.090 522 F CA 0.825 58.881 58.000 0.093 0.000 1.392 522 F CB 0.057 38.886 39.000 -0.284 0.000 1.053 522 F HN 0.866 nan 8.300 nan 0.000 0.521 523 G N 0.210 109.249 108.800 0.398 0.000 2.746 523 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.685 523 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.685 523 G C 0.368 175.520 174.900 0.421 0.000 1.350 523 G CA -0.332 44.968 45.100 0.334 0.000 0.837 523 G HN 0.098 nan 8.290 nan 0.000 0.564 524 S N -0.030 115.811 115.700 0.235 0.000 2.425 524 S HA 0.315 4.785 4.470 -0.000 0.000 0.225 524 S C 1.540 176.213 174.600 0.121 0.000 1.024 524 S CA 1.172 59.493 58.200 0.202 0.000 0.951 524 S CB 0.142 63.402 63.200 0.099 0.000 0.796 524 S HN 1.590 nan 8.310 nan 0.000 0.498 525 G N 1.510 110.290 108.800 -0.033 0.000 2.395 525 G HA2 0.418 4.377 3.960 -0.000 0.000 0.283 525 G HA3 0.418 4.377 3.960 -0.000 0.000 0.283 525 G C -0.562 173.905 174.900 -0.722 0.000 1.178 525 G CA -0.626 44.334 45.100 -0.234 0.000 0.837 525 G HN 0.218 nan 8.290 nan 0.000 0.518 526 K N 1.315 121.259 120.400 -0.759 0.000 2.472 526 K HA 0.264 4.583 4.320 -0.000 0.000 0.280 526 K C 0.967 176.824 176.600 -1.238 0.000 1.028 526 K CA 0.596 56.173 56.287 -1.183 0.000 1.045 526 K CB 0.204 32.420 32.500 -0.473 0.000 0.902 526 K HN 0.530 nan 8.250 nan 0.000 0.478 527 G N 2.234 109.844 108.800 -1.983 0.000 3.341 527 G HA2 0.321 4.281 3.960 -0.000 0.000 0.177 527 G HA3 0.321 4.281 3.960 -0.000 0.000 0.177 527 G C -0.969 173.638 174.900 -0.487 0.000 1.236 527 G CA -0.359 44.190 45.100 -0.919 0.000 0.888 527 G HN 0.561 nan 8.290 nan 0.000 0.644 528 T N -0.051 114.423 114.554 -0.133 0.000 2.861 528 T HA 0.573 4.923 4.350 -0.000 0.000 0.287 528 T C -0.983 173.665 174.700 -0.087 0.000 1.003 528 T CA -0.253 61.755 62.100 -0.152 0.000 0.977 528 T CB 2.113 70.789 68.868 -0.320 0.000 0.996 528 T HN 0.300 nan 8.240 nan 0.000 0.448 529 V N 3.155 122.972 119.914 -0.161 0.000 2.459 529 V HA 0.454 4.574 4.120 -0.000 0.000 0.295 529 V C -1.255 174.683 176.094 -0.261 0.000 1.029 529 V CA -0.902 61.304 62.300 -0.156 0.000 0.874 529 V CB 1.051 32.828 31.823 -0.077 0.000 0.985 529 V HN 0.842 nan 8.190 nan 0.000 0.438 530 Y N 3.896 124.178 120.300 -0.030 0.000 2.331 530 Y HA 0.583 5.133 4.550 -0.000 0.000 0.338 530 Y C -0.415 175.450 175.900 -0.058 0.000 0.992 530 Y CA -0.463 57.654 58.100 0.027 0.000 1.121 530 Y CB 1.584 40.053 38.460 0.016 0.000 1.184 530 Y HN 0.531 nan 8.280 nan 0.000 0.469 531 F N 2.725 122.738 119.950 0.105 0.000 2.325 531 F HA 0.521 5.048 4.527 -0.000 0.000 0.369 531 F C 0.915 176.853 175.800 0.231 0.000 1.095 531 F CA -0.382 57.650 58.000 0.053 0.000 1.082 531 F CB 0.908 39.799 39.000 -0.182 0.000 1.289 531 F HN 0.801 nan 8.300 nan 0.000 0.462 532 G N 2.469 111.534 108.800 0.441 0.000 2.561 532 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.289 532 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.289 532 G C 0.992 176.053 174.900 0.267 0.000 1.169 532 G CA 0.471 45.790 45.100 0.366 0.000 0.980 532 G HN 0.790 nan 8.290 nan 0.000 0.550 533 T N -1.709 112.991 114.554 0.242 0.000 3.105 533 T HA 0.463 4.813 4.350 -0.000 0.000 0.253 533 T C 0.828 175.709 174.700 0.302 0.000 1.047 533 T CA 1.240 63.460 62.100 0.201 0.000 0.944 533 T CB 0.164 69.099 68.868 0.111 0.000 1.016 533 T HN 0.743 nan 8.240 nan 0.000 0.544 534 T N 3.192 117.931 114.554 0.307 0.000 2.794 534 T HA 0.634 4.984 4.350 -0.000 0.000 0.296 534 T C 0.216 175.049 174.700 0.221 0.000 0.949 534 T CA -0.520 61.713 62.100 0.222 0.000 1.101 534 T CB 0.977 69.929 68.868 0.139 0.000 0.905 534 T HN 0.501 nan 8.240 nan 0.000 0.516 535 A N 3.368 126.242 122.820 0.089 0.000 2.301 535 A HA 0.696 5.016 4.320 -0.000 0.000 0.312 535 A C -0.371 177.143 177.584 -0.116 0.000 1.182 535 A CA -0.610 51.324 52.037 -0.171 0.000 0.826 535 A CB 0.650 19.541 19.000 -0.181 0.000 1.134 535 A HN 0.681 nan 8.150 nan 0.000 0.501 536 V N 2.620 122.445 119.914 -0.148 0.000 2.531 536 V HA 0.709 4.828 4.120 -0.000 0.000 0.301 536 V C 0.007 176.044 176.094 -0.095 0.000 1.034 536 V CA -0.225 62.029 62.300 -0.077 0.000 0.865 536 V CB 1.555 33.379 31.823 0.001 0.000 0.995 536 V HN 1.135 nan 8.190 nan 0.000 0.424 537 T N 0.930 115.435 114.554 -0.082 0.000 2.778 537 T HA 0.861 5.211 4.350 -0.000 0.000 0.293 537 T C 0.507 175.168 174.700 -0.066 0.000 1.144 537 T CA 0.011 62.057 62.100 -0.089 0.000 1.010 537 T CB 1.467 70.266 68.868 -0.113 0.000 1.325 537 T HN 1.482 nan 8.240 nan 0.000 0.515 538 G N 1.021 109.774 108.800 -0.077 0.000 2.591 538 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.298 538 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.298 538 G C 1.265 176.142 174.900 -0.039 0.000 1.195 538 G CA 0.790 45.852 45.100 -0.062 0.000 0.989 538 G HN 1.704 nan 8.290 nan 0.000 0.551 539 A N -0.696 122.103 122.820 -0.034 0.000 2.067 539 A HA 0.126 4.446 4.320 -0.000 0.000 0.219 539 A C 1.891 179.462 177.584 -0.021 0.000 1.158 539 A CA 2.301 54.323 52.037 -0.025 0.000 0.661 539 A CB -0.368 18.616 19.000 -0.027 0.000 0.801 539 A HN 0.604 nan 8.150 nan 0.000 0.452 540 D N -0.250 120.134 120.400 -0.027 0.000 2.317 540 D HA 0.044 4.684 4.640 -0.000 0.000 0.211 540 D C 0.425 176.721 176.300 -0.007 0.000 0.966 540 D CA 0.521 54.503 54.000 -0.029 0.000 0.876 540 D CB -0.010 40.762 40.800 -0.047 0.000 0.927 540 D HN 0.439 nan 8.370 nan 0.000 0.519 541 I N 1.617 122.197 120.570 0.016 0.000 2.308 541 I HA -0.012 4.158 4.170 -0.000 0.000 0.293 541 I C 1.436 177.582 176.117 0.049 0.000 1.078 541 I CA -0.403 60.934 61.300 0.061 0.000 1.292 541 I CB 1.838 39.922 38.000 0.139 0.000 1.423 541 I HN -0.279 nan 8.210 nan 0.000 0.493 542 V N 6.096 126.027 119.914 0.029 0.000 2.548 542 V HA -0.001 4.119 4.120 -0.000 0.000 0.249 542 V C 0.945 177.060 176.094 0.034 0.000 1.055 542 V CA 1.288 63.598 62.300 0.017 0.000 1.065 542 V CB -0.291 31.530 31.823 -0.003 0.000 0.681 542 V HN 0.851 nan 8.190 nan 0.000 0.462 543 A N -1.489 121.363 122.820 0.054 0.000 2.547 543 A HA 0.611 4.931 4.320 -0.000 0.000 0.297 543 A C -1.998 175.667 177.584 0.136 0.000 1.056 543 A CA -0.398 51.683 52.037 0.074 0.000 0.688 543 A CB 1.554 20.568 19.000 0.025 0.000 1.282 543 A HN 0.225 nan 8.150 nan 0.000 0.400 544 W N 3.083 124.371 121.300 -0.020 0.000 2.900 544 W HA 0.583 5.242 4.660 -0.000 0.000 0.336 544 W C -0.910 175.628 176.519 0.033 0.000 1.064 544 W CA -0.213 57.127 57.345 -0.008 0.000 1.237 544 W CB 1.826 31.271 29.460 -0.026 0.000 1.391 544 W HN 1.057 nan 8.180 nan 0.000 0.468 545 E N 1.354 121.605 120.200 0.086 0.000 2.435 545 E HA 0.186 4.536 4.350 -0.000 0.000 0.272 545 E C -0.660 176.014 176.600 0.124 0.000 1.031 545 E CA -0.573 55.938 56.400 0.185 0.000 0.872 545 E CB 1.405 31.165 29.700 0.100 0.000 1.588 545 E HN 0.167 nan 8.360 nan 0.000 0.460 546 D N -0.451 120.011 120.400 0.103 0.000 2.264 546 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 546 D C 1.488 177.648 176.300 -0.234 0.000 0.966 546 D CA 2.233 56.242 54.000 0.016 0.000 0.864 546 D CB 0.263 41.060 40.800 -0.004 0.000 0.933 546 D HN 0.531 nan 8.370 nan 0.000 0.499 547 T N -3.718 110.752 114.554 -0.139 0.000 2.985 547 T HA 0.151 4.501 4.350 -0.000 0.000 0.254 547 T C 0.523 175.206 174.700 -0.029 0.000 1.021 547 T CA -0.532 61.431 62.100 -0.228 0.000 0.957 547 T CB 0.493 69.292 68.868 -0.114 0.000 1.047 547 T HN 0.072 nan 8.240 nan 0.000 0.511 548 Q N 0.175 120.045 119.800 0.117 0.000 2.320 548 Q HA 0.622 4.962 4.340 -0.000 0.000 0.272 548 Q C -2.135 173.809 176.000 -0.093 0.000 1.023 548 Q CA -0.818 55.032 55.803 0.078 0.000 0.855 548 Q CB 2.016 30.747 28.738 -0.012 0.000 1.367 548 Q HN 0.430 nan 8.270 nan 0.000 0.406 549 I N 2.503 122.901 120.570 -0.287 0.000 2.474 549 I HA 0.386 4.556 4.170 -0.000 0.000 0.294 549 I C -0.634 175.337 176.117 -0.243 0.000 1.005 549 I CA -0.669 60.364 61.300 -0.444 0.000 1.113 549 I CB 2.200 39.667 38.000 -0.889 0.000 1.289 549 I HN 0.512 nan 8.210 nan 0.000 0.436 550 Q N 4.801 124.518 119.800 -0.137 0.000 2.330 550 Q HA 0.681 5.021 4.340 -0.000 0.000 0.269 550 Q C -1.439 174.532 176.000 -0.048 0.000 1.022 550 Q CA -0.568 55.186 55.803 -0.082 0.000 0.796 550 Q CB 3.392 32.101 28.738 -0.047 0.000 1.271 550 Q HN 0.489 nan 8.270 nan 0.000 0.450 551 V N 2.501 122.392 119.914 -0.038 0.000 2.971 551 V HA 0.420 4.539 4.120 -0.000 0.000 0.309 551 V C -1.409 174.689 176.094 0.007 0.000 1.130 551 V CA -0.759 61.541 62.300 0.001 0.000 0.964 551 V CB 2.355 34.190 31.823 0.019 0.000 1.029 551 V HN 0.655 nan 8.190 nan 0.000 0.427 552 K N 5.140 125.529 120.400 -0.019 0.000 2.298 552 K HA 0.484 4.803 4.320 -0.000 0.000 0.280 552 K C -0.418 176.085 176.600 -0.160 0.000 1.032 552 K CA -0.168 56.081 56.287 -0.063 0.000 0.958 552 K CB 1.037 33.492 32.500 -0.074 0.000 0.978 552 K HN 0.581 nan 8.250 nan 0.000 0.472 553 I N 6.273 126.714 120.570 -0.215 0.000 2.533 553 I HA 0.023 4.193 4.170 -0.000 0.000 0.284 553 I C -1.540 174.268 176.117 -0.515 0.000 1.109 553 I CA -1.649 59.323 61.300 -0.547 0.000 1.412 553 I CB 0.289 38.132 38.000 -0.262 0.000 1.396 553 I HN 0.426 nan 8.210 nan 0.000 0.543 554 P HA 0.015 nan 4.420 nan 0.000 0.271 554 P C -0.638 176.473 177.300 -0.314 0.000 1.233 554 P CA -0.497 62.347 63.100 -0.427 0.000 0.789 554 P CB 0.700 32.139 31.700 -0.435 0.000 0.951 555 A N 1.952 124.659 122.820 -0.188 0.000 3.037 555 A HA 0.373 4.692 4.320 -0.000 0.000 0.272 555 A C 0.679 178.205 177.584 -0.098 0.000 1.723 555 A CA -0.432 51.532 52.037 -0.121 0.000 1.413 555 A CB -1.473 17.481 19.000 -0.075 0.000 1.112 555 A HN 0.389 nan 8.150 nan 0.000 0.606 556 V N -0.883 118.946 119.914 -0.142 0.000 2.837 556 V HA 0.656 4.776 4.120 -0.000 0.000 0.310 556 V C -2.208 173.901 176.094 0.025 0.000 1.059 556 V CA -2.462 59.795 62.300 -0.071 0.000 1.004 556 V CB 0.931 32.616 31.823 -0.231 0.000 1.045 556 V HN 0.529 nan 8.190 nan 0.000 0.465 557 P HA 0.158 nan 4.420 nan 0.000 0.267 557 P C 0.417 177.854 177.300 0.228 0.000 1.200 557 P CA 0.431 63.623 63.100 0.153 0.000 0.772 557 P CB 0.377 32.167 31.700 0.151 0.000 0.855 558 G N 0.998 109.890 108.800 0.153 0.000 2.391 558 G HA2 0.404 4.364 3.960 -0.000 0.000 0.234 558 G HA3 0.404 4.364 3.960 -0.000 0.000 0.234 558 G C 0.373 175.393 174.900 0.200 0.000 1.284 558 G CA 0.518 45.717 45.100 0.164 0.000 0.873 558 G HN 0.870 nan 8.290 nan 0.000 0.549 559 G N 0.281 109.225 108.800 0.240 0.000 2.345 559 G HA2 0.323 4.283 3.960 -0.000 0.000 0.285 559 G HA3 0.323 4.283 3.960 -0.000 0.000 0.285 559 G C -1.233 173.756 174.900 0.148 0.000 1.297 559 G CA -0.969 44.197 45.100 0.110 0.000 0.875 559 G HN 0.754 nan 8.290 nan 0.000 0.506 560 I N 0.733 121.282 120.570 -0.035 0.000 2.354 560 I HA 0.546 4.716 4.170 -0.000 0.000 0.292 560 I C -0.952 175.126 176.117 -0.066 0.000 0.989 560 I CA -0.636 60.696 61.300 0.054 0.000 1.188 560 I CB 1.430 39.435 38.000 0.010 0.000 1.342 560 I HN 0.424 nan 8.210 nan 0.000 0.457 561 Y N 3.450 123.891 120.300 0.236 0.000 2.536 561 Y HA 0.372 4.922 4.550 -0.000 0.000 0.347 561 Y C -0.225 175.796 175.900 0.202 0.000 1.000 561 Y CA -1.047 57.199 58.100 0.243 0.000 1.051 561 Y CB 1.452 40.131 38.460 0.365 0.000 1.259 561 Y HN 0.428 nan 8.280 nan 0.000 0.468 562 D N 2.384 122.948 120.400 0.273 0.000 2.210 562 D HA 0.409 5.049 4.640 -0.000 0.000 0.249 562 D C -0.422 175.933 176.300 0.091 0.000 1.062 562 D CA 0.037 54.132 54.000 0.158 0.000 0.891 562 D CB 1.674 42.531 40.800 0.096 0.000 1.186 562 D HN 0.366 nan 8.370 nan 0.000 0.432 563 I N 1.472 122.041 120.570 -0.001 0.000 2.460 563 I HA 0.424 4.594 4.170 -0.000 0.000 0.298 563 I C 0.302 176.378 176.117 -0.068 0.000 0.989 563 I CA -0.659 60.518 61.300 -0.205 0.000 1.173 563 I CB 1.728 39.504 38.000 -0.374 0.000 1.338 563 I HN 0.029 nan 8.210 nan 0.000 0.456 564 R N 3.947 124.410 120.500 -0.062 0.000 2.626 564 R HA 0.671 5.011 4.340 -0.000 0.000 0.274 564 R C -1.998 174.339 176.300 0.060 0.000 1.031 564 R CA -0.556 55.565 56.100 0.034 0.000 0.898 564 R CB 2.458 32.808 30.300 0.083 0.000 1.222 564 R HN 0.396 nan 8.270 nan 0.000 0.455 565 V N 2.331 122.265 119.914 0.033 0.000 2.581 565 V HA 0.789 4.908 4.120 -0.000 0.000 0.303 565 V C -0.494 175.707 176.094 0.178 0.000 1.041 565 V CA -0.551 61.763 62.300 0.023 0.000 0.907 565 V CB 1.682 33.366 31.823 -0.231 0.000 0.994 565 V HN 0.896 nan 8.190 nan 0.000 0.442 566 A N 3.846 126.817 122.820 0.252 0.000 2.343 566 A HA 0.765 5.085 4.320 -0.000 0.000 0.316 566 A C -0.194 177.552 177.584 0.270 0.000 1.104 566 A CA -0.808 51.376 52.037 0.245 0.000 0.768 566 A CB 0.926 20.085 19.000 0.265 0.000 1.213 566 A HN 0.945 nan 8.150 nan 0.000 0.456 567 N N 1.668 120.523 118.700 0.259 0.000 2.327 567 N HA 0.370 5.110 4.740 -0.000 0.000 0.257 567 N C 1.117 176.649 175.510 0.036 0.000 1.281 567 N CA 0.124 53.333 53.050 0.265 0.000 0.942 567 N CB 0.302 38.956 38.487 0.278 0.000 1.199 567 N HN 0.609 nan 8.380 nan 0.000 0.532 568 A N -1.055 121.721 122.820 -0.073 0.000 2.076 568 A HA 0.013 4.332 4.320 -0.000 0.000 0.220 568 A C 1.826 179.379 177.584 -0.051 0.000 1.160 568 A CA 1.789 53.746 52.037 -0.133 0.000 0.653 568 A CB -1.299 17.605 19.000 -0.160 0.000 0.801 568 A HN 0.874 nan 8.150 nan 0.000 0.455 569 A N -2.004 120.816 122.820 -0.001 0.000 2.307 569 A HA 0.447 4.767 4.320 -0.000 0.000 0.218 569 A C 1.726 179.325 177.584 0.026 0.000 1.228 569 A CA 1.017 53.061 52.037 0.011 0.000 0.857 569 A CB -0.880 18.134 19.000 0.024 0.000 0.897 569 A HN 1.805 nan 8.150 nan 0.000 0.495 570 G N -1.508 107.315 108.800 0.037 0.000 2.179 570 G HA2 0.002 3.962 3.960 -0.000 0.000 0.260 570 G HA3 0.002 3.962 3.960 -0.000 0.000 0.260 570 G C 0.511 175.456 174.900 0.074 0.000 0.977 570 G CA 0.315 45.450 45.100 0.059 0.000 0.641 570 G HN 1.679 nan 8.290 nan 0.000 0.533 571 A N 0.146 123.011 122.820 0.075 0.000 2.454 571 A HA 0.796 5.115 4.320 -0.000 0.000 0.260 571 A C 0.778 178.424 177.584 0.103 0.000 1.106 571 A CA 1.112 53.194 52.037 0.075 0.000 0.780 571 A CB 0.494 19.535 19.000 0.070 0.000 1.044 571 A HN 2.041 nan 8.150 nan 0.000 0.498 572 A N 2.729 125.601 122.820 0.085 0.000 2.306 572 A HA 0.711 5.031 4.320 -0.000 0.000 0.330 572 A C 0.794 178.425 177.584 0.078 0.000 1.146 572 A CA 0.085 52.181 52.037 0.098 0.000 0.827 572 A CB 0.429 19.469 19.000 0.067 0.000 1.178 572 A HN 1.670 nan 8.150 nan 0.000 0.490 573 S N 1.671 117.426 115.700 0.092 0.000 2.652 573 S HA 0.311 4.781 4.470 -0.000 0.000 0.267 573 S C 0.345 174.976 174.600 0.052 0.000 1.201 573 S CA -0.541 57.706 58.200 0.078 0.000 0.996 573 S CB 0.118 63.383 63.200 0.108 0.000 1.054 573 S HN 0.930 nan 8.310 nan 0.000 0.561 574 N N -0.085 118.645 118.700 0.050 0.000 2.371 574 N HA 0.138 4.878 4.740 -0.000 0.000 0.243 574 N C -0.554 175.002 175.510 0.075 0.000 1.287 574 N CA -0.325 52.757 53.050 0.053 0.000 0.911 574 N CB -0.049 38.475 38.487 0.062 0.000 1.142 574 N HN 0.691 nan 8.380 nan 0.000 0.451 575 I N 0.463 121.071 120.570 0.064 0.000 2.396 575 I HA 0.096 4.266 4.170 -0.000 0.000 0.292 575 I C -0.665 175.523 176.117 0.117 0.000 0.999 575 I CA -0.659 60.684 61.300 0.070 0.000 1.310 575 I CB 0.512 38.533 38.000 0.035 0.000 1.404 575 I HN 0.477 nan 8.210 nan 0.000 0.496 576 Y N 6.636 126.934 120.300 -0.003 0.000 2.345 576 Y HA 0.216 4.766 4.550 -0.000 0.000 0.331 576 Y C -0.021 175.900 175.900 0.035 0.000 0.959 576 Y CA -0.897 57.212 58.100 0.016 0.000 1.204 576 Y CB 0.500 38.955 38.460 -0.007 0.000 1.135 576 Y HN 0.618 nan 8.280 nan 0.000 0.477 577 D N 2.148 122.527 120.400 -0.035 0.000 2.506 577 D HA 0.150 4.790 4.640 -0.000 0.000 0.272 577 D C -0.019 176.329 176.300 0.081 0.000 1.214 577 D CA -0.582 53.441 54.000 0.039 0.000 1.067 577 D CB 0.564 41.357 40.800 -0.011 0.000 1.117 577 D HN 0.561 nan 8.370 nan 0.000 0.578 578 N N -2.387 116.376 118.700 0.105 0.000 2.747 578 N HA -0.234 4.506 4.740 -0.000 0.000 0.249 578 N C -1.302 174.313 175.510 0.176 0.000 1.107 578 N CA 0.168 53.278 53.050 0.100 0.000 0.707 578 N CB -1.891 36.616 38.487 0.033 0.000 1.054 578 N HN 0.418 nan 8.380 nan 0.000 0.555 579 F N 1.448 121.487 119.950 0.148 0.000 2.438 579 F HA 0.342 4.869 4.527 -0.000 0.000 0.356 579 F C 0.708 176.636 175.800 0.214 0.000 1.099 579 F CA -0.450 57.661 58.000 0.186 0.000 1.185 579 F CB 0.726 39.855 39.000 0.215 0.000 1.115 579 F HN 0.149 nan 8.300 nan 0.000 0.526 580 E N 5.720 125.573 120.200 -0.578 0.000 2.109 580 E HA 0.386 4.736 4.350 -0.000 0.000 0.278 580 E C -1.455 174.948 176.600 -0.329 0.000 0.954 580 E CA -0.718 55.522 56.400 -0.267 0.000 0.779 580 E CB 1.154 30.733 29.700 -0.201 0.000 1.093 580 E HN 0.506 nan 8.360 nan 0.000 0.401 581 V N 6.371 126.344 119.914 0.099 0.000 2.461 581 V HA 0.199 4.319 4.120 -0.000 0.000 0.275 581 V C 0.452 176.589 176.094 0.071 0.000 1.047 581 V CA -0.421 61.961 62.300 0.135 0.000 0.955 581 V CB 0.833 32.774 31.823 0.196 0.000 0.988 581 V HN 0.679 nan 8.190 nan 0.000 0.471 582 L N 3.760 124.992 121.223 0.016 0.000 2.421 582 L HA 0.304 4.644 4.340 -0.000 0.000 0.263 582 L C 1.617 178.503 176.870 0.026 0.000 1.122 582 L CA -0.239 54.606 54.840 0.009 0.000 0.804 582 L CB 0.893 42.944 42.059 -0.015 0.000 1.150 582 L HN 0.633 nan 8.230 nan 0.000 0.457 583 T N 0.181 114.749 114.554 0.024 0.000 2.995 583 T HA 0.165 4.515 4.350 -0.000 0.000 0.269 583 T C 0.576 175.285 174.700 0.016 0.000 1.091 583 T CA 0.877 62.993 62.100 0.026 0.000 1.128 583 T CB 0.094 68.977 68.868 0.025 0.000 0.891 583 T HN 0.894 nan 8.240 nan 0.000 0.492 584 G N 0.074 108.880 108.800 0.010 0.000 2.336 584 G HA2 0.262 4.222 3.960 -0.000 0.000 0.286 584 G HA3 0.262 4.222 3.960 -0.000 0.000 0.286 584 G C -2.121 172.781 174.900 0.004 0.000 1.269 584 G CA -0.902 44.202 45.100 0.007 0.000 0.873 584 G HN 0.019 nan 8.290 nan 0.000 0.494 585 D N 0.672 121.075 120.400 0.005 0.000 2.378 585 D HA 0.346 4.986 4.640 -0.000 0.000 0.238 585 D C 0.006 176.310 176.300 0.006 0.000 1.180 585 D CA 0.491 54.493 54.000 0.002 0.000 0.895 585 D CB 0.772 41.575 40.800 0.005 0.000 1.192 585 D HN 0.214 nan 8.370 nan 0.000 0.438 586 Q N 0.089 119.890 119.800 0.001 0.000 2.301 586 Q HA 0.595 4.934 4.340 -0.000 0.000 0.267 586 Q C -0.329 175.688 176.000 0.028 0.000 1.035 586 Q CA -0.967 54.843 55.803 0.011 0.000 0.856 586 Q CB 2.265 30.997 28.738 -0.010 0.000 1.337 586 Q HN 0.324 nan 8.270 nan 0.000 0.450 587 V N -2.133 117.815 119.914 0.057 0.000 3.078 587 V HA 0.722 4.842 4.120 -0.000 0.000 0.311 587 V C -0.352 175.814 176.094 0.119 0.000 1.138 587 V CA -0.910 61.443 62.300 0.088 0.000 1.007 587 V CB 1.971 33.852 31.823 0.095 0.000 1.045 587 V HN 0.670 nan 8.190 nan 0.000 0.432 588 T N 2.126 116.781 114.554 0.169 0.000 2.767 588 T HA 0.662 5.012 4.350 -0.000 0.000 0.284 588 T C -0.358 174.447 174.700 0.175 0.000 0.973 588 T CA -0.288 61.934 62.100 0.203 0.000 0.996 588 T CB 1.333 70.391 68.868 0.316 0.000 0.927 588 T HN 0.673 nan 8.240 nan 0.000 0.456 589 V N 3.937 123.933 119.914 0.137 0.000 2.459 589 V HA 0.478 4.598 4.120 -0.000 0.000 0.295 589 V C 0.309 176.396 176.094 -0.012 0.000 1.029 589 V CA -1.063 61.228 62.300 -0.015 0.000 0.874 589 V CB 1.748 33.467 31.823 -0.174 0.000 0.985 589 V HN 0.732 nan 8.190 nan 0.000 0.438 590 R N 3.768 124.243 120.500 -0.041 0.000 2.234 590 R HA 0.437 4.777 4.340 -0.000 0.000 0.324 590 R C -1.472 174.777 176.300 -0.085 0.000 1.054 590 R CA -0.218 55.934 56.100 0.086 0.000 0.912 590 R CB 0.396 30.783 30.300 0.145 0.000 1.030 590 R HN 0.529 nan 8.270 nan 0.000 0.455 591 F N 4.106 124.135 119.950 0.132 0.000 2.415 591 F HA 0.360 4.887 4.527 -0.000 0.000 0.348 591 F C -0.253 175.654 175.800 0.178 0.000 1.119 591 F CA -0.698 57.391 58.000 0.148 0.000 1.069 591 F CB 1.963 41.109 39.000 0.243 0.000 1.124 591 F HN 0.116 nan 8.300 nan 0.000 0.472 592 V N 5.442 125.472 119.914 0.193 0.000 2.487 592 V HA 0.465 4.585 4.120 -0.000 0.000 0.298 592 V C -0.710 175.334 176.094 -0.084 0.000 1.028 592 V CA -0.800 61.483 62.300 -0.027 0.000 0.860 592 V CB 2.005 33.615 31.823 -0.355 0.000 0.991 592 V HN 0.615 nan 8.190 nan 0.000 0.427 593 I N 4.620 125.106 120.570 -0.139 0.000 2.418 593 I HA 0.542 4.711 4.170 -0.000 0.000 0.287 593 I C -0.253 175.817 176.117 -0.079 0.000 1.008 593 I CA 0.028 61.167 61.300 -0.268 0.000 1.104 593 I CB 1.555 39.126 38.000 -0.715 0.000 1.264 593 I HN 0.686 nan 8.210 nan 0.000 0.438 594 N N 5.565 124.231 118.700 -0.057 0.000 2.489 594 N HA 0.446 5.186 4.740 -0.000 0.000 0.284 594 N C -0.466 175.062 175.510 0.029 0.000 1.158 594 N CA -0.580 52.465 53.050 -0.008 0.000 0.965 594 N CB 0.468 38.945 38.487 -0.017 0.000 1.195 594 N HN 0.581 nan 8.380 nan 0.000 0.506 595 N N -0.849 117.849 118.700 -0.003 0.000 2.758 595 N HA -0.187 4.552 4.740 -0.000 0.000 0.248 595 N C -1.343 174.135 175.510 -0.052 0.000 1.076 595 N CA 0.677 53.715 53.050 -0.020 0.000 0.696 595 N CB -1.274 37.238 38.487 0.042 0.000 0.979 595 N HN 0.636 nan 8.380 nan 0.000 0.550 596 A N 0.294 123.051 122.820 -0.106 0.000 2.838 596 A HA 0.472 4.792 4.320 -0.000 0.000 0.337 596 A C 0.843 178.295 177.584 -0.220 0.000 1.383 596 A CA -0.137 51.711 52.037 -0.316 0.000 0.985 596 A CB 0.057 18.880 19.000 -0.295 0.000 1.157 596 A HN 0.280 nan 8.150 nan 0.000 0.497 597 T N 0.121 114.524 114.554 -0.251 0.000 2.913 597 T HA 0.613 4.963 4.350 -0.000 0.000 0.297 597 T C 0.310 175.032 174.700 0.036 0.000 1.029 597 T CA 0.238 62.304 62.100 -0.057 0.000 1.104 597 T CB 1.064 69.907 68.868 -0.042 0.000 0.964 597 T HN 0.873 nan 8.240 nan 0.000 0.532 598 T N -1.104 113.632 114.554 0.303 0.000 2.896 598 T HA 0.778 5.128 4.350 -0.000 0.000 0.297 598 T C -0.038 174.740 174.700 0.131 0.000 1.108 598 T CA -0.825 61.371 62.100 0.160 0.000 1.004 598 T CB 1.428 70.442 68.868 0.243 0.000 1.159 598 T HN 1.050 nan 8.240 nan 0.000 0.499 599 A N 1.418 124.273 122.820 0.059 0.000 2.240 599 A HA 0.696 5.015 4.320 -0.000 0.000 0.292 599 A C 0.336 177.940 177.584 0.034 0.000 1.121 599 A CA -0.973 51.088 52.037 0.039 0.000 0.851 599 A CB 0.091 19.104 19.000 0.022 0.000 1.167 599 A HN 1.026 nan 8.150 nan 0.000 0.503 600 L N 0.495 121.727 121.223 0.016 0.000 2.499 600 L HA 0.346 4.686 4.340 -0.000 0.000 0.273 600 L C 1.363 178.250 176.870 0.028 0.000 1.195 600 L CA 1.568 56.413 54.840 0.010 0.000 0.882 600 L CB 0.075 42.136 42.059 0.003 0.000 1.133 600 L HN 1.355 nan 8.230 nan 0.000 0.483 601 G N 3.095 111.919 108.800 0.041 0.000 2.168 601 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.263 601 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.263 601 G C 0.215 175.161 174.900 0.076 0.000 0.977 601 G CA 0.607 45.742 45.100 0.058 0.000 0.659 601 G HN 0.688 nan 8.290 nan 0.000 0.533 602 Q N 0.006 119.854 119.800 0.079 0.000 2.271 602 Q HA 0.612 4.952 4.340 -0.000 0.000 0.258 602 Q C -0.112 175.946 176.000 0.097 0.000 0.936 602 Q CA -0.595 55.249 55.803 0.068 0.000 0.909 602 Q CB 0.552 29.306 28.738 0.027 0.000 1.253 602 Q HN 0.509 nan 8.270 nan 0.000 0.440 603 N N 0.947 119.688 118.700 0.069 0.000 2.405 603 N HA 0.498 5.237 4.740 -0.000 0.000 0.285 603 N C -1.645 173.653 175.510 -0.353 0.000 1.262 603 N CA -0.688 52.298 53.050 -0.105 0.000 0.773 603 N CB 2.185 40.670 38.487 -0.004 0.000 1.490 603 N HN 0.238 nan 8.380 nan 0.000 0.486 604 V N 1.773 121.087 119.914 -1.000 0.000 2.539 604 V HA 0.540 4.660 4.120 -0.000 0.000 0.292 604 V C -0.841 174.952 176.094 -0.503 0.000 1.045 604 V CA -0.065 61.821 62.300 -0.689 0.000 0.945 604 V CB 0.250 31.382 31.823 -1.150 0.000 0.993 604 V HN 0.493 nan 8.190 nan 0.000 0.464 605 F N 3.470 123.310 119.950 -0.184 0.000 2.664 605 F HA 0.785 5.312 4.527 -0.000 0.000 0.329 605 F C -0.425 175.317 175.800 -0.098 0.000 1.090 605 F CA -0.996 56.904 58.000 -0.167 0.000 0.978 605 F CB 1.801 40.685 39.000 -0.193 0.000 1.378 605 F HN 0.326 nan 8.300 nan 0.000 0.495 606 L N 0.498 121.717 121.223 -0.007 0.000 2.381 606 L HA 0.858 5.198 4.340 -0.000 0.000 0.268 606 L C -0.620 176.119 176.870 -0.219 0.000 0.997 606 L CA 0.128 54.797 54.840 -0.286 0.000 0.818 606 L CB 2.063 43.814 42.059 -0.515 0.000 1.310 606 L HN 0.669 nan 8.230 nan 0.000 0.416 607 T N 2.134 116.564 114.554 -0.206 0.000 2.787 607 T HA 0.948 5.298 4.350 -0.000 0.000 0.297 607 T C -0.702 173.811 174.700 -0.312 0.000 1.221 607 T CA 0.007 62.009 62.100 -0.163 0.000 1.006 607 T CB 1.526 70.403 68.868 0.017 0.000 1.328 607 T HN 1.170 nan 8.240 nan 0.000 0.509 608 G N 1.036 109.466 108.800 -0.617 0.000 2.490 608 G HA2 0.308 4.268 3.960 -0.000 0.000 0.308 608 G HA3 0.308 4.268 3.960 -0.000 0.000 0.308 608 G C -0.563 173.518 174.900 -1.366 0.000 1.286 608 G CA -0.036 44.360 45.100 -1.173 0.000 0.825 608 G HN 0.774 nan 8.290 nan 0.000 0.479 609 N N -0.526 117.580 118.700 -0.990 0.000 2.313 609 N HA 0.126 4.866 4.740 -0.000 0.000 0.207 609 N C 0.396 175.775 175.510 -0.217 0.000 1.141 609 N CA 0.569 53.272 53.050 -0.579 0.000 0.830 609 N CB 0.315 38.757 38.487 -0.075 0.000 1.008 609 N HN 0.905 nan 8.380 nan 0.000 0.481 610 V N -3.400 116.395 119.914 -0.199 0.000 3.074 610 V HA 0.501 4.621 4.120 -0.000 0.000 0.314 610 V C 1.369 177.417 176.094 -0.077 0.000 1.117 610 V CA -0.427 61.825 62.300 -0.080 0.000 1.014 610 V CB 1.155 32.955 31.823 -0.039 0.000 1.057 610 V HN 0.065 nan 8.190 nan 0.000 0.438 611 S N -0.201 115.484 115.700 -0.025 0.000 2.399 611 S HA -0.177 4.292 4.470 -0.000 0.000 0.231 611 S C 1.345 175.930 174.600 -0.025 0.000 1.022 611 S CA 1.558 59.749 58.200 -0.014 0.000 0.983 611 S CB -0.616 62.598 63.200 0.023 0.000 0.803 611 S HN 0.886 nan 8.310 nan 0.000 0.480 612 E N 1.321 121.506 120.200 -0.024 0.000 2.265 612 E HA 0.075 4.424 4.350 -0.000 0.000 0.196 612 E C 1.320 177.895 176.600 -0.043 0.000 0.996 612 E CA 0.814 57.203 56.400 -0.019 0.000 0.832 612 E CB -0.310 29.387 29.700 -0.004 0.000 0.756 612 E HN 0.567 nan 8.360 nan 0.000 0.491 613 L N -1.325 119.843 121.223 -0.092 0.000 2.818 613 L HA 0.321 4.660 4.340 -0.000 0.000 0.243 613 L C 0.956 177.748 176.870 -0.130 0.000 1.185 613 L CA 0.149 54.903 54.840 -0.144 0.000 0.988 613 L CB 0.420 42.338 42.059 -0.235 0.000 1.292 613 L HN 0.294 nan 8.230 nan 0.000 0.519 614 G N 0.248 109.001 108.800 -0.079 0.000 2.157 614 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.248 614 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.248 614 G C 0.383 175.264 174.900 -0.031 0.000 0.979 614 G CA 0.124 45.199 45.100 -0.041 0.000 0.650 614 G HN 0.570 nan 8.290 nan 0.000 0.529 615 N N -1.539 117.107 118.700 -0.088 0.000 2.705 615 N HA -0.238 4.501 4.740 -0.000 0.000 0.255 615 N C 0.893 176.471 175.510 0.113 0.000 1.008 615 N CA 1.292 54.307 53.050 -0.058 0.000 0.742 615 N CB -1.252 37.251 38.487 0.027 0.000 0.906 615 N HN 1.019 nan 8.380 nan 0.000 0.541 616 W N -3.043 118.310 121.300 0.089 0.000 3.207 616 W HA -0.271 4.389 4.660 -0.000 0.000 0.291 616 W C 0.347 176.981 176.519 0.193 0.000 1.105 616 W CA 0.323 57.762 57.345 0.157 0.000 0.612 616 W CB -1.093 28.424 29.460 0.096 0.000 2.140 616 W HN 0.345 nan 8.180 nan 0.000 1.420 617 D N -0.126 120.442 120.400 0.280 0.000 2.359 617 D HA 0.206 4.846 4.640 -0.000 0.000 0.230 617 D C -1.063 175.297 176.300 0.099 0.000 1.118 617 D CA -2.162 51.950 54.000 0.187 0.000 0.844 617 D CB 1.383 42.244 40.800 0.100 0.000 1.059 617 D HN -0.206 nan 8.370 nan 0.000 0.493 618 P HA -0.108 nan 4.420 nan 0.000 0.216 618 P C 0.770 177.960 177.300 -0.182 0.000 1.150 618 P CA 1.166 64.188 63.100 -0.129 0.000 0.843 618 P CB 0.227 31.846 31.700 -0.136 0.000 0.787 619 N N -1.422 117.221 118.700 -0.095 0.000 2.309 619 N HA -0.076 4.664 4.740 -0.000 0.000 0.182 619 N C 0.822 176.285 175.510 -0.078 0.000 1.018 619 N CA 0.466 53.457 53.050 -0.098 0.000 0.876 619 N CB -0.223 38.236 38.487 -0.047 0.000 0.972 619 N HN 0.088 nan 8.380 nan 0.000 0.434 620 N N 0.291 118.963 118.700 -0.047 0.000 2.238 620 N HA 0.156 4.895 4.740 -0.000 0.000 0.222 620 N C -0.688 174.811 175.510 -0.018 0.000 1.133 620 N CA -0.068 52.970 53.050 -0.020 0.000 0.854 620 N CB 0.641 39.126 38.487 -0.003 0.000 1.041 620 N HN 0.111 nan 8.380 nan 0.000 0.510 621 A N 0.780 123.566 122.820 -0.058 0.000 2.425 621 A HA 0.274 4.594 4.320 -0.000 0.000 0.242 621 A C 0.438 178.088 177.584 0.110 0.000 1.077 621 A CA -0.163 51.860 52.037 -0.024 0.000 0.781 621 A CB 0.343 19.272 19.000 -0.119 0.000 1.020 621 A HN 0.087 nan 8.150 nan 0.000 0.494 622 I N 1.842 122.450 120.570 0.064 0.000 2.452 622 I HA 0.490 4.660 4.170 -0.000 0.000 0.287 622 I C 1.022 177.095 176.117 -0.073 0.000 1.079 622 I CA 1.357 62.676 61.300 0.030 0.000 1.387 622 I CB -0.744 37.234 38.000 -0.037 0.000 1.404 622 I HN 0.970 nan 8.210 nan 0.000 0.522 623 G N 8.249 116.926 108.800 -0.204 0.000 2.339 623 G HA2 0.163 4.123 3.960 -0.000 0.000 0.275 623 G HA3 0.163 4.123 3.960 -0.000 0.000 0.275 623 G C -3.239 171.357 174.900 -0.506 0.000 1.323 623 G CA -0.877 43.759 45.100 -0.774 0.000 0.927 623 G HN 0.343 nan 8.290 nan 0.000 0.486 624 P HA 0.389 nan 4.420 nan 0.000 0.268 624 P C 0.456 177.281 177.300 -0.791 0.000 1.205 624 P CA 0.039 62.526 63.100 -1.022 0.000 0.771 624 P CB 0.355 31.785 31.700 -0.450 0.000 0.858 625 M N 1.824 121.031 119.600 -0.655 0.000 2.167 625 M HA 0.130 4.610 4.480 -0.000 0.000 0.300 625 M C 0.105 176.440 176.300 0.058 0.000 1.171 625 M CA 0.535 55.587 55.300 -0.413 0.000 1.171 625 M CB 0.052 32.638 32.600 -0.024 0.000 1.396 625 M HN 0.280 nan 8.290 nan 0.000 0.466 626 Y N 0.977 121.236 120.300 -0.069 0.000 2.488 626 Y HA 0.299 4.849 4.550 -0.000 0.000 0.325 626 Y C 0.526 176.192 175.900 -0.391 0.000 1.204 626 Y CA -1.515 56.393 58.100 -0.321 0.000 1.229 626 Y CB 0.706 38.767 38.460 -0.665 0.000 1.274 626 Y HN 0.715 nan 8.280 nan 0.000 0.493 627 N N -1.465 117.148 118.700 -0.144 0.000 2.297 627 N HA 0.081 4.821 4.740 -0.000 0.000 0.244 627 N C -0.552 174.911 175.510 -0.079 0.000 1.412 627 N CA -0.092 52.844 53.050 -0.190 0.000 0.837 627 N CB -0.229 37.713 38.487 -0.909 0.000 1.336 627 N HN 0.641 nan 8.380 nan 0.000 0.508 628 Q N -0.631 119.174 119.800 0.009 0.000 2.620 628 Q HA 0.352 4.692 4.340 -0.000 0.000 0.232 628 Q C 1.108 177.048 176.000 -0.100 0.000 0.836 628 Q CA 0.410 56.174 55.803 -0.065 0.000 0.938 628 Q CB 0.798 29.469 28.738 -0.112 0.000 1.242 628 Q HN 0.080 nan 8.270 nan 0.000 0.624 629 V N 0.263 120.088 119.914 -0.147 0.000 2.326 629 V HA -0.093 4.026 4.120 -0.000 0.000 0.237 629 V C 2.046 177.709 176.094 -0.719 0.000 1.044 629 V CA 1.172 63.226 62.300 -0.409 0.000 1.035 629 V CB -0.343 31.209 31.823 -0.451 0.000 0.675 629 V HN 0.105 nan 8.190 nan 0.000 0.470 630 V N -1.548 117.772 119.914 -0.990 0.000 2.515 630 V HA -0.076 4.044 4.120 -0.000 0.000 0.250 630 V C 0.540 175.966 176.094 -1.114 0.000 1.058 630 V CA 1.425 62.977 62.300 -1.248 0.000 1.064 630 V CB -0.650 30.248 31.823 -1.542 0.000 0.675 630 V HN 0.517 nan 8.190 nan 0.000 0.461 631 Y N -1.669 118.269 120.300 -0.603 0.000 2.562 631 Y HA 0.672 5.222 4.550 -0.000 0.000 0.345 631 Y C -0.346 175.512 175.900 -0.069 0.000 1.045 631 Y CA -1.300 56.656 58.100 -0.241 0.000 1.028 631 Y CB 1.726 40.099 38.460 -0.145 0.000 1.297 631 Y HN -0.049 nan 8.280 nan 0.000 0.463 632 Q N 0.736 120.594 119.800 0.097 0.000 2.342 632 Q HA 0.326 4.666 4.340 -0.000 0.000 0.267 632 Q C -1.368 174.645 176.000 0.022 0.000 1.038 632 Q CA -1.022 54.803 55.803 0.037 0.000 0.832 632 Q CB 1.556 30.299 28.738 0.010 0.000 1.323 632 Q HN 0.581 nan 8.270 nan 0.000 0.448 633 Y N 4.325 124.515 120.300 -0.183 0.000 2.987 633 Y HA -0.046 4.503 4.550 -0.000 0.000 0.339 633 Y C -1.250 174.611 175.900 -0.065 0.000 1.272 633 Y CA -0.432 57.533 58.100 -0.226 0.000 1.562 633 Y CB 0.707 38.990 38.460 -0.295 0.000 1.253 633 Y HN 0.562 nan 8.280 nan 0.000 0.604 634 P HA 0.065 nan 4.420 nan 0.000 0.253 634 P C -0.739 176.464 177.300 -0.163 0.000 1.459 634 P CA 0.054 62.645 63.100 -0.849 0.000 0.908 634 P CB -0.046 31.155 31.700 -0.831 0.000 1.470 635 T N 0.729 115.243 114.554 -0.068 0.000 2.799 635 T HA 0.329 4.679 4.350 -0.000 0.000 0.286 635 T C -0.688 174.104 174.700 0.152 0.000 0.973 635 T CA 0.066 62.215 62.100 0.082 0.000 1.035 635 T CB 0.674 69.569 68.868 0.046 0.000 0.932 635 T HN 0.039 nan 8.240 nan 0.000 0.469 636 W N 2.870 124.193 121.300 0.038 0.000 2.706 636 W HA 0.648 5.307 4.660 -0.000 0.000 0.346 636 W C -0.709 175.913 176.519 0.172 0.000 1.071 636 W CA -1.024 56.388 57.345 0.112 0.000 1.206 636 W CB 0.915 30.389 29.460 0.022 0.000 1.413 636 W HN 0.705 nan 8.180 nan 0.000 0.542 637 Y N -0.525 119.969 120.300 0.324 0.000 2.597 637 Y HA 0.799 5.349 4.550 -0.000 0.000 0.340 637 Y C -1.968 174.181 175.900 0.415 0.000 1.097 637 Y CA -2.740 55.527 58.100 0.278 0.000 1.037 637 Y CB 1.635 40.229 38.460 0.224 0.000 1.305 637 Y HN 0.543 nan 8.280 nan 0.000 0.463 638 Y N 0.645 121.071 120.300 0.210 0.000 2.521 638 Y HA 0.326 4.876 4.550 -0.000 0.000 0.328 638 Y C -1.719 174.343 175.900 0.271 0.000 1.151 638 Y CA -1.097 57.047 58.100 0.073 0.000 1.054 638 Y CB 1.798 40.226 38.460 -0.053 0.000 1.338 638 Y HN 0.771 nan 8.280 nan 0.000 0.453 639 D N 4.050 124.420 120.400 -0.049 0.000 2.274 639 D HA 0.500 5.140 4.640 -0.000 0.000 0.239 639 D C -1.076 175.276 176.300 0.087 0.000 1.104 639 D CA 0.095 54.171 54.000 0.126 0.000 0.840 639 D CB 2.060 42.970 40.800 0.183 0.000 1.100 639 D HN 0.189 nan 8.370 nan 0.000 0.477 640 V N 1.333 121.395 119.914 0.247 0.000 2.709 640 V HA 0.293 4.413 4.120 -0.000 0.000 0.308 640 V C 0.184 176.405 176.094 0.212 0.000 1.062 640 V CA -0.881 61.565 62.300 0.244 0.000 0.901 640 V CB 2.155 34.164 31.823 0.310 0.000 1.003 640 V HN 0.473 nan 8.190 nan 0.000 0.425 641 S N 3.690 119.478 115.700 0.147 0.000 2.499 641 S HA 0.678 5.147 4.470 -0.000 0.000 0.275 641 S C -0.490 174.168 174.600 0.096 0.000 1.257 641 S CA -0.359 57.904 58.200 0.105 0.000 1.050 641 S CB 0.488 63.720 63.200 0.054 0.000 0.937 641 S HN 1.071 nan 8.310 nan 0.000 0.490 642 V N 2.886 122.861 119.914 0.102 0.000 3.114 642 V HA 0.783 4.903 4.120 -0.000 0.000 0.308 642 V C -2.853 173.282 176.094 0.068 0.000 1.168 642 V CA -2.755 59.599 62.300 0.091 0.000 1.015 642 V CB 1.662 33.573 31.823 0.147 0.000 1.050 642 V HN 0.672 nan 8.190 nan 0.000 0.433 643 P HA 0.229 nan 4.420 nan 0.000 0.265 643 P C -0.200 177.123 177.300 0.039 0.000 1.193 643 P CA 0.566 63.688 63.100 0.036 0.000 0.765 643 P CB 0.811 32.528 31.700 0.029 0.000 0.823 644 A N 2.753 125.590 122.820 0.028 0.000 2.340 644 A HA 0.540 4.859 4.320 -0.000 0.000 0.268 644 A C 1.336 178.924 177.584 0.007 0.000 1.100 644 A CA 0.191 52.241 52.037 0.023 0.000 0.803 644 A CB -0.727 18.286 19.000 0.023 0.000 1.043 644 A HN 0.821 nan 8.150 nan 0.000 0.488 645 G N 0.542 109.337 108.800 -0.009 0.000 2.198 645 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.260 645 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.260 645 G C -0.020 174.864 174.900 -0.027 0.000 1.025 645 G CA 0.816 45.903 45.100 -0.023 0.000 0.769 645 G HN 1.612 nan 8.290 nan 0.000 0.507 646 Q N -1.636 118.146 119.800 -0.029 0.000 2.501 646 Q HA 0.723 5.063 4.340 -0.000 0.000 0.288 646 Q C -0.843 175.145 176.000 -0.020 0.000 1.051 646 Q CA -0.878 54.916 55.803 -0.016 0.000 0.788 646 Q CB 1.133 29.877 28.738 0.009 0.000 1.469 646 Q HN 0.092 nan 8.270 nan 0.000 0.416 647 T N 2.694 117.252 114.554 0.007 0.000 2.728 647 T HA 0.451 4.801 4.350 -0.000 0.000 0.296 647 T C 0.227 174.988 174.700 0.101 0.000 0.940 647 T CA -0.550 61.574 62.100 0.039 0.000 1.013 647 T CB -0.263 68.632 68.868 0.045 0.000 0.912 647 T HN 0.484 nan 8.240 nan 0.000 0.484 648 I N 0.305 120.977 120.570 0.170 0.000 2.676 648 I HA 0.699 4.869 4.170 -0.000 0.000 0.309 648 I C -0.136 176.180 176.117 0.332 0.000 0.990 648 I CA -0.996 60.425 61.300 0.203 0.000 1.168 648 I CB 1.530 39.639 38.000 0.182 0.000 1.343 648 I HN 0.383 nan 8.210 nan 0.000 0.482 649 E N 3.203 123.568 120.200 0.274 0.000 2.212 649 E HA 0.673 5.023 4.350 -0.000 0.000 0.268 649 E C -1.480 175.270 176.600 0.249 0.000 0.902 649 E CA -0.590 56.001 56.400 0.317 0.000 0.779 649 E CB 2.528 32.443 29.700 0.357 0.000 1.172 649 E HN 0.601 nan 8.360 nan 0.000 0.409 650 F N -0.696 119.301 119.950 0.079 0.000 2.741 650 F HA 0.667 5.194 4.527 -0.000 0.000 0.313 650 F C -1.451 174.448 175.800 0.165 0.000 1.153 650 F CA -1.098 56.845 58.000 -0.095 0.000 0.931 650 F CB 1.576 40.436 39.000 -0.233 0.000 1.335 650 F HN 0.102 nan 8.300 nan 0.000 0.460 651 K N 0.880 121.396 120.400 0.193 0.000 2.568 651 K HA 0.492 4.812 4.320 -0.000 0.000 0.273 651 K C -2.049 174.566 176.600 0.025 0.000 0.951 651 K CA -0.662 55.734 56.287 0.182 0.000 0.854 651 K CB 2.863 35.647 32.500 0.473 0.000 1.424 651 K HN 0.581 nan 8.250 nan 0.000 0.427 652 F N 2.034 122.073 119.950 0.149 0.000 2.408 652 F HA 0.601 5.128 4.527 -0.000 0.000 0.325 652 F C 0.327 176.203 175.800 0.127 0.000 1.082 652 F CA -0.716 57.367 58.000 0.140 0.000 1.032 652 F CB 0.924 40.038 39.000 0.191 0.000 1.259 652 F HN 0.299 nan 8.300 nan 0.000 0.503 653 L N -1.092 120.325 121.223 0.324 0.000 2.540 653 L HA 0.677 5.017 4.340 -0.000 0.000 0.256 653 L C -1.687 175.292 176.870 0.181 0.000 1.001 653 L CA -1.253 53.681 54.840 0.157 0.000 0.843 653 L CB 2.179 43.947 42.059 -0.484 0.000 1.436 653 L HN 0.403 nan 8.230 nan 0.000 0.410 654 K N 1.358 121.807 120.400 0.081 0.000 2.164 654 K HA 0.663 4.982 4.320 -0.000 0.000 0.258 654 K C -1.211 175.352 176.600 -0.062 0.000 0.951 654 K CA -0.835 55.424 56.287 -0.047 0.000 0.844 654 K CB 2.084 34.482 32.500 -0.171 0.000 1.099 654 K HN 0.505 nan 8.250 nan 0.000 0.435 655 K N 2.104 122.498 120.400 -0.010 0.000 2.427 655 K HA 0.258 4.577 4.320 -0.000 0.000 0.252 655 K C -1.216 175.384 176.600 -0.001 0.000 0.931 655 K CA -0.816 55.407 56.287 -0.107 0.000 0.793 655 K CB 2.434 34.714 32.500 -0.366 0.000 1.211 655 K HN 0.464 nan 8.250 nan 0.000 0.426 656 Q N 1.603 121.388 119.800 -0.025 0.000 2.269 656 Q HA 0.297 4.637 4.340 -0.000 0.000 0.263 656 Q C 0.149 176.144 176.000 -0.010 0.000 0.983 656 Q CA 0.095 55.903 55.803 0.007 0.000 0.777 656 Q CB 1.625 30.369 28.738 0.009 0.000 1.273 656 Q HN 0.862 nan 8.270 nan 0.000 0.440 657 G N 2.571 111.370 108.800 -0.002 0.000 2.634 657 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.318 657 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.318 657 G C 0.424 175.305 174.900 -0.032 0.000 1.207 657 G CA 0.665 45.760 45.100 -0.009 0.000 0.987 657 G HN 0.680 nan 8.290 nan 0.000 0.547 658 S N 0.720 116.404 115.700 -0.027 0.000 2.577 658 S HA 0.392 4.861 4.470 -0.000 0.000 0.219 658 S C 0.557 175.134 174.600 -0.038 0.000 0.962 658 S CA 0.969 59.148 58.200 -0.035 0.000 0.921 658 S CB 0.586 63.775 63.200 -0.018 0.000 0.789 658 S HN 0.792 nan 8.310 nan 0.000 0.497 659 T N 2.531 117.062 114.554 -0.038 0.000 2.767 659 T HA 0.493 4.843 4.350 -0.000 0.000 0.288 659 T C -0.356 174.305 174.700 -0.064 0.000 0.963 659 T CA -0.308 61.775 62.100 -0.028 0.000 1.019 659 T CB 1.670 70.533 68.868 -0.008 0.000 0.923 659 T HN -0.082 nan 8.240 nan 0.000 0.468 660 V N 4.028 123.904 119.914 -0.064 0.000 2.384 660 V HA 0.427 4.547 4.120 -0.000 0.000 0.287 660 V C 0.143 176.197 176.094 -0.067 0.000 1.020 660 V CA -0.703 61.506 62.300 -0.153 0.000 0.850 660 V CB 1.831 33.518 31.823 -0.227 0.000 0.987 660 V HN 0.984 nan 8.190 nan 0.000 0.436 661 T N 4.531 119.053 114.554 -0.054 0.000 2.788 661 T HA 0.381 4.731 4.350 -0.000 0.000 0.296 661 T C -0.565 174.242 174.700 0.179 0.000 1.009 661 T CA -0.282 61.886 62.100 0.113 0.000 0.949 661 T CB 0.344 69.288 68.868 0.127 0.000 0.946 661 T HN 0.538 nan 8.240 nan 0.000 0.453 662 W N 1.995 123.396 121.300 0.168 0.000 2.237 662 W HA 0.334 4.994 4.660 -0.000 0.000 0.335 662 W C 0.880 177.435 176.519 0.061 0.000 1.230 662 W CA -0.872 56.548 57.345 0.126 0.000 1.253 662 W CB 0.384 29.861 29.460 0.029 0.000 1.129 662 W HN 0.558 nan 8.180 nan 0.000 0.590 663 E N 0.861 121.087 120.200 0.043 0.000 2.415 663 E HA 0.211 4.561 4.350 -0.000 0.000 0.262 663 E C 0.664 177.184 176.600 -0.133 0.000 1.038 663 E CA -0.010 56.106 56.400 -0.473 0.000 0.921 663 E CB 0.579 29.898 29.700 -0.636 0.000 0.950 663 E HN 0.600 nan 8.360 nan 0.000 0.438 664 G N 0.762 109.465 108.800 -0.162 0.000 2.525 664 G HA2 0.543 4.503 3.960 -0.000 0.000 0.287 664 G HA3 0.543 4.503 3.960 -0.000 0.000 0.287 664 G C 0.254 175.083 174.900 -0.118 0.000 1.350 664 G CA 0.020 45.068 45.100 -0.087 0.000 1.039 664 G HN 0.766 nan 8.290 nan 0.000 0.513 665 G N -1.816 106.929 108.800 -0.092 0.000 2.725 665 G HA2 0.379 4.338 3.960 -0.000 0.000 0.220 665 G HA3 0.379 4.338 3.960 -0.000 0.000 0.220 665 G C 0.328 175.169 174.900 -0.099 0.000 1.357 665 G CA 0.064 45.112 45.100 -0.088 0.000 0.866 665 G HN 1.993 nan 8.290 nan 0.000 0.548 666 A N -0.028 122.741 122.820 -0.085 0.000 2.366 666 A HA 0.593 4.913 4.320 -0.000 0.000 0.249 666 A C 0.774 178.303 177.584 -0.091 0.000 1.084 666 A CA 0.216 52.202 52.037 -0.085 0.000 0.794 666 A CB 0.105 19.069 19.000 -0.059 0.000 1.034 666 A HN 1.001 nan 8.150 nan 0.000 0.491 667 N N 0.823 119.472 118.700 -0.086 0.000 2.441 667 N HA 0.112 4.852 4.740 -0.000 0.000 0.251 667 N C 0.061 175.511 175.510 -0.099 0.000 1.242 667 N CA 0.377 53.397 53.050 -0.049 0.000 0.898 667 N CB 0.316 38.829 38.487 0.043 0.000 1.100 667 N HN 0.555 nan 8.380 nan 0.000 0.443 668 R N 0.093 120.434 120.500 -0.266 0.000 2.490 668 R HA 0.352 4.692 4.340 -0.000 0.000 0.278 668 R C 0.266 176.360 176.300 -0.345 0.000 1.069 668 R CA -0.337 55.484 56.100 -0.464 0.000 1.080 668 R CB 0.502 30.171 30.300 -1.052 0.000 1.030 668 R HN 0.605 nan 8.270 nan 0.000 0.491 669 T N -1.115 113.423 114.554 -0.027 0.000 2.908 669 T HA 0.674 5.024 4.350 -0.000 0.000 0.290 669 T C -0.893 174.131 174.700 0.541 0.000 1.034 669 T CA -0.761 61.486 62.100 0.245 0.000 1.010 669 T CB 1.464 70.429 68.868 0.162 0.000 1.068 669 T HN 0.452 nan 8.240 nan 0.000 0.481 670 F N 0.699 120.886 119.950 0.394 0.000 2.635 670 F HA 0.520 5.046 4.527 -0.000 0.000 0.314 670 F C -1.046 174.858 175.800 0.172 0.000 1.119 670 F CA -0.598 57.581 58.000 0.298 0.000 1.000 670 F CB 2.001 41.212 39.000 0.352 0.000 1.278 670 F HN 0.733 nan 8.300 nan 0.000 0.446 671 T N 4.145 118.293 114.554 -0.676 0.000 2.738 671 T HA 0.384 4.734 4.350 -0.000 0.000 0.298 671 T C 0.051 174.238 174.700 -0.855 0.000 0.962 671 T CA -0.353 61.429 62.100 -0.530 0.000 0.972 671 T CB 0.419 69.104 68.868 -0.305 0.000 0.928 671 T HN 0.717 nan 8.240 nan 0.000 0.474 672 T N 3.232 117.524 114.554 -0.436 0.000 2.898 672 T HA 0.344 4.694 4.350 -0.000 0.000 0.301 672 T C -2.197 172.416 174.700 -0.145 0.000 1.049 672 T CA -1.597 60.364 62.100 -0.233 0.000 1.095 672 T CB 0.356 69.223 68.868 -0.001 0.000 0.976 672 T HN 0.260 nan 8.240 nan 0.000 0.539 673 P HA 0.111 nan 4.420 nan 0.000 0.272 673 P C 1.021 178.325 177.300 0.007 0.000 1.240 673 P CA -0.320 62.776 63.100 -0.007 0.000 0.791 673 P CB 0.568 32.295 31.700 0.045 0.000 0.978 674 T N -2.514 112.045 114.554 0.009 0.000 3.043 674 T HA 0.079 4.429 4.350 -0.000 0.000 0.263 674 T C 0.918 175.635 174.700 0.028 0.000 1.094 674 T CA 0.560 62.669 62.100 0.014 0.000 1.127 674 T CB -0.409 68.464 68.868 0.009 0.000 0.905 674 T HN 0.688 nan 8.240 nan 0.000 0.490 675 S N -1.090 114.634 115.700 0.040 0.000 2.643 675 S HA 0.692 5.162 4.470 -0.000 0.000 0.270 675 S C 0.169 174.814 174.600 0.075 0.000 1.166 675 S CA -0.445 57.789 58.200 0.056 0.000 0.815 675 S CB 1.326 64.554 63.200 0.047 0.000 1.139 675 S HN 1.401 nan 8.310 nan 0.000 0.472 676 G N 0.556 109.416 108.800 0.101 0.000 2.693 676 G HA2 0.227 4.187 3.960 -0.000 0.000 0.226 676 G HA3 0.227 4.187 3.960 -0.000 0.000 0.226 676 G C -0.077 174.903 174.900 0.134 0.000 1.354 676 G CA 0.321 45.490 45.100 0.116 0.000 0.873 676 G HN 2.218 nan 8.290 nan 0.000 0.562 677 T N -2.470 112.162 114.554 0.129 0.000 2.905 677 T HA 1.051 5.401 4.350 -0.000 0.000 0.283 677 T C 0.103 174.873 174.700 0.118 0.000 1.031 677 T CA 0.454 62.637 62.100 0.139 0.000 1.002 677 T CB 1.829 70.787 68.868 0.151 0.000 1.200 677 T HN 2.655 nan 8.240 nan 0.000 0.560 678 A N 0.056 122.940 122.820 0.105 0.000 2.610 678 A HA 0.734 5.054 4.320 -0.000 0.000 0.291 678 A C -0.715 176.861 177.584 -0.013 0.000 1.086 678 A CA -0.933 51.162 52.037 0.098 0.000 0.677 678 A CB 1.298 20.440 19.000 0.238 0.000 1.278 678 A HN 0.913 nan 8.150 nan 0.000 0.414 679 T N 0.752 115.273 114.554 -0.055 0.000 2.824 679 T HA 0.571 4.920 4.350 -0.000 0.000 0.282 679 T C -0.939 173.584 174.700 -0.294 0.000 0.993 679 T CA -0.388 61.625 62.100 -0.145 0.000 0.967 679 T CB 1.488 70.344 68.868 -0.019 0.000 0.960 679 T HN 0.655 nan 8.240 nan 0.000 0.441 680 V N 4.355 123.992 119.914 -0.462 0.000 2.370 680 V HA 0.486 4.605 4.120 -0.000 0.000 0.283 680 V C -0.133 175.873 176.094 -0.148 0.000 1.023 680 V CA -0.800 61.219 62.300 -0.468 0.000 0.857 680 V CB 1.296 32.662 31.823 -0.761 0.000 0.985 680 V HN 0.768 nan 8.190 nan 0.000 0.443 681 N N 4.580 123.240 118.700 -0.066 0.000 2.442 681 N HA 0.635 5.375 4.740 -0.000 0.000 0.274 681 N C -0.883 174.630 175.510 0.006 0.000 1.002 681 N CA -0.139 52.886 53.050 -0.042 0.000 0.910 681 N CB 2.126 40.584 38.487 -0.049 0.000 1.244 681 N HN 0.535 nan 8.380 nan 0.000 0.492 682 V N 0.974 120.892 119.914 0.007 0.000 3.156 682 V HA 0.728 4.848 4.120 -0.000 0.000 0.310 682 V C -0.772 175.306 176.094 -0.027 0.000 1.234 682 V CA -1.029 61.286 62.300 0.026 0.000 1.065 682 V CB 2.204 34.097 31.823 0.117 0.000 1.088 682 V HN 0.514 nan 8.190 nan 0.000 0.451 683 N N 0.744 119.439 118.700 -0.008 0.000 2.284 683 N HA 0.250 4.989 4.740 -0.000 0.000 0.300 683 N C -1.017 174.514 175.510 0.036 0.000 1.047 683 N CA -0.276 52.783 53.050 0.015 0.000 0.821 683 N CB 2.369 40.874 38.487 0.030 0.000 1.337 683 N HN 1.038 nan 8.380 nan 0.000 0.482 684 W N 2.576 123.822 121.300 -0.090 0.000 2.343 684 W HA -0.030 4.630 4.660 -0.000 0.000 0.337 684 W C -0.663 175.853 176.519 -0.005 0.000 1.320 684 W CA 0.494 57.803 57.345 -0.060 0.000 1.290 684 W CB 0.361 29.781 29.460 -0.067 0.000 1.206 684 W HN 0.417 nan 8.180 nan 0.000 0.565 685 Q N 8.516 127.961 119.800 -0.592 0.000 2.340 685 Q HA 0.240 4.580 4.340 -0.000 0.000 0.259 685 Q C -1.764 173.962 176.000 -0.457 0.000 0.964 685 Q CA -1.752 53.843 55.803 -0.347 0.000 0.900 685 Q CB 1.611 30.193 28.738 -0.261 0.000 1.228 685 Q HN 0.237 nan 8.270 nan 0.000 0.449 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.176 63.100 0.127 0.000 0.800 686 P CB 0.000 31.833 31.700 0.221 0.000 0.726