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 2w0q_1_A DATA FIRST_RESID 7 DATA SEQUENCE MVPMDKTLKE FGADVQWDDY AQLFTLIKDG AYVKVKPGAQ TAIVNGQPLA DATA SEQUENCE LQVPVVMKDN KAWVSDTFIN DVFQSGLDQT FQVEKRPHPL NALTADEIKQ DATA SEQUENCE AVEIVKASAD FKPNTRFTEI SLLPPDKEAV WAFALENKPV DQPRKADVIM DATA SEQUENCE LDGKHIIEAV VDLQNNKLLS WQPIKDAHGM VLLDDFASVQ NIINNSEEFA DATA SEQUENCE AAVKKRGITD AKKVITTPLT VGYFDGKDGL KQDARLLKVI SYLDVGDGNY DATA SEQUENCE WAHPIENLVA VVDLEQKKIV KIEEGPVVPV PMTARPFDGR DRVAPAVKPM DATA SEQUENCE QIIEPEGKNY TITGDMIHWR NWDFHLSMNS RVGPMISTVT YNDNGTKRKV DATA SEQUENCE MYEGSLGGMI VPYGDPDIGW YFKAYLDSGD YGMGTLTSPI ARGKDAPSNA DATA SEQUENCE VLLNETIADY TGVPMEIPRA IAVFERYAGP EYKHQEMGQP NVSTERRELV DATA SEQUENCE VRWISTVGNX DYIFDWIFHE NGTIGIDAGA TGIEAVKGVK AKTMHDETAK DATA SEQUENCE DDTRYGTLID HNIVGTTHQH IYNFRLDLDV DGENNSLVAM DPVVKPNTAG DATA SEQUENCE GPRTSTMQVN QYNIGNEQDA AQKFDPGTIR LLSNPNKENR MGNPVSYQII DATA SEQUENCE PYAGGTHPVA KGAQFAPDEW IYHRLSFMDK QLWVTRYHPG ERFPEGKYPN DATA SEQUENCE RSTHDTGLGQ YSKDNESLDN TDAVVWMTTG TTHVARAEEW PIMPTEWVHT DATA SEQUENCE LLKPWNFFDE TPTLGALKK 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 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.487 176.300 0.312 0.000 1.140 7 M CA 0.000 55.397 55.300 0.161 0.000 0.988 7 M CB 0.000 32.664 32.600 0.106 0.000 1.302 8 V N 3.935 124.058 119.914 0.348 0.000 3.012 8 V HA 0.720 4.840 4.120 -0.000 0.000 0.307 8 V C -2.390 173.551 176.094 -0.256 0.000 1.166 8 V CA -1.557 60.834 62.300 0.151 0.000 0.974 8 V CB 3.405 35.246 31.823 0.031 0.000 1.040 8 V HN 0.645 nan 8.190 nan 0.000 0.428 9 P HA 0.162 nan 4.420 nan 0.000 0.276 9 P C 0.571 177.503 177.300 -0.612 0.000 1.253 9 P CA 0.103 62.529 63.100 -1.124 0.000 0.766 9 P CB 0.773 31.868 31.700 -1.010 0.000 0.845 10 M N 3.235 122.467 119.600 -0.613 0.000 2.059 10 M HA -0.234 4.246 4.480 -0.000 0.000 0.259 10 M C 1.312 177.404 176.300 -0.346 0.000 1.072 10 M CA 2.214 57.231 55.300 -0.472 0.000 1.117 10 M CB -0.626 31.619 32.600 -0.591 0.000 1.320 10 M HN 0.205 nan 8.290 nan 0.000 0.408 11 D N -0.009 120.194 120.400 -0.328 0.000 2.104 11 D HA -0.231 4.409 4.640 -0.000 0.000 0.194 11 D C 2.002 178.215 176.300 -0.145 0.000 0.994 11 D CA 1.868 55.752 54.000 -0.194 0.000 0.830 11 D CB -0.015 40.696 40.800 -0.147 0.000 0.959 11 D HN 0.361 nan 8.370 nan 0.000 0.452 12 K N -0.544 119.747 120.400 -0.182 0.000 2.026 12 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 12 K C 1.886 178.428 176.600 -0.096 0.000 1.048 12 K CA 1.717 57.925 56.287 -0.132 0.000 0.929 12 K CB -0.133 32.273 32.500 -0.156 0.000 0.713 12 K HN 0.083 nan 8.250 nan 0.000 0.439 13 T N 1.718 116.197 114.554 -0.124 0.000 2.746 13 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 13 T C 1.735 176.429 174.700 -0.009 0.000 1.039 13 T CA 1.137 63.193 62.100 -0.073 0.000 1.142 13 T CB -0.129 68.679 68.868 -0.102 0.000 0.866 13 T HN 0.057 nan 8.240 nan 0.000 0.444 14 L N 0.917 122.130 121.223 -0.017 0.000 2.027 14 L HA 0.040 4.380 4.340 -0.000 0.000 0.206 14 L C 2.413 179.327 176.870 0.074 0.000 1.074 14 L CA 1.643 56.522 54.840 0.064 0.000 0.745 14 L CB -0.579 41.509 42.059 0.049 0.000 0.898 14 L HN 0.160 nan 8.230 nan 0.000 0.433 15 K N -0.610 119.799 120.400 0.016 0.000 2.057 15 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 15 K C 2.035 178.637 176.600 0.003 0.000 1.049 15 K CA 1.478 57.766 56.287 0.003 0.000 0.931 15 K CB -0.161 32.332 32.500 -0.012 0.000 0.714 15 K HN 0.337 nan 8.250 nan 0.000 0.440 16 E N 0.028 120.236 120.200 0.013 0.000 2.130 16 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 16 E C 1.586 178.222 176.600 0.060 0.000 0.998 16 E CA 1.112 57.526 56.400 0.023 0.000 0.806 16 E CB -0.104 29.608 29.700 0.019 0.000 0.738 16 E HN 0.219 nan 8.360 nan 0.000 0.459 17 F N -0.397 119.497 119.950 -0.094 0.000 2.748 17 F HA 0.107 4.634 4.527 -0.000 0.000 0.299 17 F C 1.363 177.074 175.800 -0.149 0.000 1.154 17 F CA 1.298 59.220 58.000 -0.130 0.000 1.446 17 F CB 0.396 39.292 39.000 -0.174 0.000 1.112 17 F HN 0.074 nan 8.300 nan 0.000 0.584 18 G N 0.241 108.920 108.800 -0.201 0.000 2.175 18 G HA2 -0.126 3.833 3.960 -0.000 0.000 0.244 18 G HA3 -0.126 3.833 3.960 -0.000 0.000 0.244 18 G C 0.424 175.192 174.900 -0.220 0.000 0.982 18 G CA 0.013 44.953 45.100 -0.266 0.000 0.641 18 G HN 0.811 nan 8.290 nan 0.000 0.527 19 A N -0.216 122.519 122.820 -0.140 0.000 2.304 19 A HA 0.601 4.921 4.320 -0.000 0.000 0.271 19 A C 0.073 177.669 177.584 0.020 0.000 1.091 19 A CA 0.465 52.478 52.037 -0.041 0.000 0.812 19 A CB 0.607 19.634 19.000 0.044 0.000 1.056 19 A HN 0.393 nan 8.150 nan 0.000 0.489 20 D N 0.435 120.868 120.400 0.053 0.000 2.198 20 D HA 0.461 5.101 4.640 -0.000 0.000 0.245 20 D C -0.885 175.476 176.300 0.102 0.000 1.079 20 D CA 0.068 54.107 54.000 0.065 0.000 0.854 20 D CB 1.252 42.088 40.800 0.060 0.000 1.148 20 D HN 0.148 nan 8.370 nan 0.000 0.456 21 V N 4.583 124.564 119.914 0.111 0.000 2.384 21 V HA 0.369 4.489 4.120 -0.000 0.000 0.287 21 V C -0.141 176.082 176.094 0.215 0.000 1.020 21 V CA -0.672 61.728 62.300 0.167 0.000 0.850 21 V CB 1.284 33.187 31.823 0.134 0.000 0.987 21 V HN 0.494 nan 8.190 nan 0.000 0.436 22 Q N 4.218 124.175 119.800 0.263 0.000 2.353 22 Q HA 0.413 4.753 4.340 -0.000 0.000 0.268 22 Q C -1.173 175.021 176.000 0.325 0.000 1.045 22 Q CA -0.412 55.532 55.803 0.235 0.000 0.811 22 Q CB 2.967 31.779 28.738 0.123 0.000 1.305 22 Q HN 0.859 nan 8.270 nan 0.000 0.447 23 W N 3.769 125.084 121.300 0.024 0.000 2.478 23 W HA 0.331 4.991 4.660 0.000 0.000 0.318 23 W C -1.349 175.085 176.519 -0.141 0.000 1.062 23 W CA -0.523 56.696 57.345 -0.211 0.000 1.210 23 W CB 1.505 30.805 29.460 -0.267 0.000 1.325 23 W HN 0.653 nan 8.180 nan 0.000 0.496 24 D N 4.069 123.871 120.400 -0.996 0.000 2.414 24 D HA 0.078 4.718 4.640 -0.000 0.000 0.232 24 D C 0.220 175.819 176.300 -1.168 0.000 1.070 24 D CA -0.134 53.405 54.000 -0.768 0.000 0.839 24 D CB 1.491 42.051 40.800 -0.400 0.000 1.079 24 D HN 0.493 nan 8.370 nan 0.000 0.521 25 D N 2.230 122.176 120.400 -0.757 0.000 2.183 25 D HA -0.181 4.459 4.640 -0.000 0.000 0.203 25 D C 1.404 177.572 176.300 -0.220 0.000 0.969 25 D CA 0.766 54.492 54.000 -0.456 0.000 0.842 25 D CB 0.007 40.813 40.800 0.011 0.000 0.957 25 D HN 0.499 nan 8.370 nan 0.000 0.484 26 Y N 0.552 120.691 120.300 -0.268 0.000 2.224 26 Y HA -0.078 4.472 4.550 -0.000 0.000 0.289 26 Y C 1.875 177.655 175.900 -0.200 0.000 1.146 26 Y CA 1.781 59.774 58.100 -0.179 0.000 1.182 26 Y CB -0.243 38.133 38.460 -0.139 0.000 0.983 26 Y HN 0.027 nan 8.280 nan 0.000 0.524 27 A N -1.091 121.553 122.820 -0.294 0.000 2.220 27 A HA 0.108 4.428 4.320 -0.000 0.000 0.211 27 A C 0.511 177.871 177.584 -0.373 0.000 1.176 27 A CA 0.397 52.229 52.037 -0.342 0.000 0.834 27 A CB -0.007 18.876 19.000 -0.194 0.000 0.868 27 A HN 0.446 nan 8.150 nan 0.000 0.488 28 Q N -1.728 117.739 119.800 -0.556 0.000 2.459 28 Q HA -0.195 4.145 4.340 -0.000 0.000 0.322 28 Q C -0.910 174.793 176.000 -0.496 0.000 1.427 28 Q CA 0.938 56.408 55.803 -0.555 0.000 0.861 28 Q CB -1.933 26.759 28.738 -0.077 0.000 1.137 28 Q HN 0.621 nan 8.270 nan 0.000 0.394 29 L N 0.187 120.880 121.223 -0.884 0.000 2.516 29 L HA 0.582 4.922 4.340 -0.000 0.000 0.267 29 L C -1.034 175.677 176.870 -0.264 0.000 0.957 29 L CA -0.464 54.184 54.840 -0.321 0.000 0.860 29 L CB 1.199 43.135 42.059 -0.205 0.000 1.265 29 L HN 0.055 nan 8.230 nan 0.000 0.403 30 F N 2.485 122.571 119.950 0.225 0.000 2.399 30 F HA 0.536 5.063 4.527 -0.000 0.000 0.342 30 F C 0.810 176.660 175.800 0.084 0.000 1.106 30 F CA 0.094 58.237 58.000 0.239 0.000 1.196 30 F CB 1.588 40.749 39.000 0.267 0.000 1.163 30 F HN 0.388 nan 8.300 nan 0.000 0.547 31 T N 5.195 119.891 114.554 0.236 0.000 2.770 31 T HA 0.540 4.890 4.350 -0.000 0.000 0.283 31 T C -0.878 173.854 174.700 0.053 0.000 0.988 31 T CA -0.525 61.589 62.100 0.024 0.000 0.957 31 T CB 0.757 69.564 68.868 -0.103 0.000 0.930 31 T HN 0.066 nan 8.240 nan 0.000 0.443 32 L N 4.576 125.802 121.223 0.005 0.000 2.325 32 L HA 0.609 4.949 4.340 -0.000 0.000 0.281 32 L C -0.326 176.600 176.870 0.094 0.000 1.004 32 L CA -0.648 54.274 54.840 0.137 0.000 0.823 32 L CB 1.113 43.351 42.059 0.299 0.000 1.236 32 L HN 0.644 nan 8.230 nan 0.000 0.415 33 I N 3.583 124.228 120.570 0.125 0.000 2.436 33 I HA 0.491 4.661 4.170 -0.000 0.000 0.289 33 I C -0.194 176.036 176.117 0.188 0.000 1.010 33 I CA -0.617 60.768 61.300 0.142 0.000 1.098 33 I CB 1.960 40.014 38.000 0.090 0.000 1.266 33 I HN 0.477 nan 8.210 nan 0.000 0.434 34 K N 6.163 126.715 120.400 0.253 0.000 2.619 34 K HA 0.244 4.564 4.320 -0.000 0.000 0.251 34 K C -1.025 175.681 176.600 0.176 0.000 0.987 34 K CA -0.365 55.995 56.287 0.122 0.000 0.844 34 K CB 1.146 33.604 32.500 -0.071 0.000 1.237 34 K HN 0.717 nan 8.250 nan 0.000 0.447 35 D N 1.817 122.303 120.400 0.143 0.000 3.845 35 D HA -0.248 4.392 4.640 -0.000 0.000 0.144 35 D C 0.926 177.372 176.300 0.242 0.000 0.889 35 D CA 2.114 56.234 54.000 0.201 0.000 1.096 35 D CB -0.952 39.977 40.800 0.215 0.000 0.515 35 D HN 0.768 nan 8.370 nan 0.000 0.525 36 G N 0.320 109.289 108.800 0.281 0.000 2.920 36 G HA2 0.378 4.338 3.960 -0.000 0.000 0.208 36 G HA3 0.378 4.338 3.960 -0.000 0.000 0.208 36 G C 0.335 175.367 174.900 0.220 0.000 1.159 36 G CA 1.002 46.228 45.100 0.210 0.000 0.784 36 G HN 0.633 nan 8.290 nan 0.000 0.535 37 A N 0.146 123.140 122.820 0.290 0.000 2.260 37 A HA 0.617 4.937 4.320 -0.000 0.000 0.308 37 A C -1.550 176.222 177.584 0.314 0.000 1.254 37 A CA -0.643 51.569 52.037 0.292 0.000 0.874 37 A CB 0.520 19.754 19.000 0.389 0.000 1.153 37 A HN 0.261 nan 8.150 nan 0.000 0.527 38 Y N 3.307 123.669 120.300 0.104 0.000 2.388 38 Y HA 0.517 5.067 4.550 -0.000 0.000 0.328 38 Y C -0.821 175.102 175.900 0.038 0.000 0.963 38 Y CA -0.512 57.643 58.100 0.092 0.000 1.240 38 Y CB 1.345 39.849 38.460 0.074 0.000 1.118 38 Y HN 0.437 nan 8.280 nan 0.000 0.484 39 V N 6.453 126.309 119.914 -0.098 0.000 2.513 39 V HA 0.479 4.599 4.120 -0.000 0.000 0.299 39 V C -0.719 175.340 176.094 -0.060 0.000 1.035 39 V CA -1.106 61.143 62.300 -0.085 0.000 0.889 39 V CB 1.811 33.508 31.823 -0.210 0.000 0.988 39 V HN 0.595 nan 8.190 nan 0.000 0.440 40 K N 2.914 123.335 120.400 0.036 0.000 2.323 40 K HA 0.812 5.131 4.320 -0.000 0.000 0.259 40 K C -1.540 175.134 176.600 0.123 0.000 0.947 40 K CA -0.627 55.711 56.287 0.085 0.000 0.819 40 K CB 2.456 35.023 32.500 0.112 0.000 1.109 40 K HN 0.433 nan 8.250 nan 0.000 0.429 41 V N 3.453 123.485 119.914 0.196 0.000 2.777 41 V HA 0.325 4.445 4.120 -0.000 0.000 0.306 41 V C -1.665 174.611 176.094 0.303 0.000 1.112 41 V CA -0.794 61.646 62.300 0.233 0.000 0.917 41 V CB 1.877 33.860 31.823 0.268 0.000 1.018 41 V HN 0.645 nan 8.190 nan 0.000 0.426 42 K N 6.685 127.222 120.400 0.228 0.000 2.156 42 K HA 0.521 4.841 4.320 -0.000 0.000 0.271 42 K C -2.701 174.050 176.600 0.251 0.000 0.995 42 K CA -1.746 54.680 56.287 0.232 0.000 0.890 42 K CB 1.613 34.191 32.500 0.131 0.000 1.073 42 K HN 0.430 nan 8.250 nan 0.000 0.454 43 P HA -0.062 nan 4.420 nan 0.000 0.265 43 P C 0.737 178.125 177.300 0.146 0.000 1.193 43 P CA 0.817 64.054 63.100 0.229 0.000 0.765 43 P CB 0.497 32.336 31.700 0.231 0.000 0.823 44 G N 1.613 110.479 108.800 0.110 0.000 2.245 44 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.264 44 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.264 44 G C 0.489 175.435 174.900 0.075 0.000 0.985 44 G CA 0.134 45.282 45.100 0.080 0.000 0.625 44 G HN 0.871 nan 8.290 nan 0.000 0.536 45 A N -0.336 122.539 122.820 0.091 0.000 2.351 45 A HA 0.707 5.027 4.320 -0.000 0.000 0.257 45 A C 1.063 178.691 177.584 0.074 0.000 1.087 45 A CA 0.843 52.926 52.037 0.077 0.000 0.798 45 A CB 0.439 19.489 19.000 0.084 0.000 1.033 45 A HN 0.446 nan 8.150 nan 0.000 0.488 46 Q N -0.425 119.409 119.800 0.057 0.000 2.408 46 Q HA 0.083 4.423 4.340 -0.000 0.000 0.205 46 Q C 0.472 176.502 176.000 0.050 0.000 0.919 46 Q CA 0.962 56.796 55.803 0.051 0.000 0.932 46 Q CB 0.297 29.057 28.738 0.036 0.000 1.058 46 Q HN 0.899 nan 8.270 nan 0.000 0.517 47 T N -2.971 111.614 114.554 0.052 0.000 2.916 47 T HA 0.826 5.176 4.350 -0.000 0.000 0.292 47 T C -0.787 173.947 174.700 0.057 0.000 1.064 47 T CA -0.656 61.470 62.100 0.043 0.000 1.011 47 T CB 2.256 71.141 68.868 0.029 0.000 1.152 47 T HN 0.050 nan 8.240 nan 0.000 0.510 48 A N 1.399 124.243 122.820 0.039 0.000 2.483 48 A HA 0.853 5.173 4.320 -0.000 0.000 0.286 48 A C -1.137 176.459 177.584 0.019 0.000 1.207 48 A CA -1.016 51.047 52.037 0.043 0.000 0.764 48 A CB 1.284 20.306 19.000 0.037 0.000 1.341 48 A HN 0.807 nan 8.150 nan 0.000 0.428 49 I N 1.380 121.965 120.570 0.026 0.000 2.418 49 I HA 0.401 4.571 4.170 -0.000 0.000 0.287 49 I C -0.880 175.243 176.117 0.010 0.000 1.008 49 I CA -0.425 60.892 61.300 0.028 0.000 1.104 49 I CB 1.144 39.181 38.000 0.062 0.000 1.264 49 I HN 0.263 nan 8.210 nan 0.000 0.438 50 V N 5.959 125.864 119.914 -0.015 0.000 2.417 50 V HA 0.348 4.468 4.120 -0.000 0.000 0.291 50 V C 0.618 176.728 176.094 0.027 0.000 1.024 50 V CA -0.874 61.410 62.300 -0.026 0.000 0.861 50 V CB 1.138 32.905 31.823 -0.093 0.000 0.985 50 V HN 0.866 nan 8.190 nan 0.000 0.436 51 N N 3.947 122.696 118.700 0.082 0.000 2.699 51 N HA -0.260 4.480 4.740 -0.000 0.000 0.256 51 N C 1.169 176.701 175.510 0.037 0.000 0.993 51 N CA 0.426 53.519 53.050 0.073 0.000 0.759 51 N CB -0.654 37.864 38.487 0.050 0.000 0.906 51 N HN 1.394 nan 8.380 nan 0.000 0.541 52 G N -1.275 107.554 108.800 0.048 0.000 2.184 52 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.264 52 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.264 52 G C -0.158 174.754 174.900 0.019 0.000 0.975 52 G CA 0.391 45.507 45.100 0.026 0.000 0.642 52 G HN 0.421 nan 8.290 nan 0.000 0.536 53 Q N 0.378 120.188 119.800 0.017 0.000 2.312 53 Q HA 0.511 4.851 4.340 -0.000 0.000 0.263 53 Q C -2.580 173.421 176.000 0.003 0.000 0.995 53 Q CA -2.108 53.699 55.803 0.006 0.000 0.853 53 Q CB 2.029 30.767 28.738 0.000 0.000 1.300 53 Q HN 0.187 nan 8.270 nan 0.000 0.448 54 P HA 0.205 nan 4.420 nan 0.000 0.271 54 P C -0.869 176.425 177.300 -0.009 0.000 1.218 54 P CA -0.365 62.736 63.100 0.002 0.000 0.780 54 P CB 0.525 32.228 31.700 0.005 0.000 0.901 55 L N 1.915 123.130 121.223 -0.013 0.000 2.470 55 L HA 0.713 5.053 4.340 -0.000 0.000 0.268 55 L C -0.939 175.923 176.870 -0.014 0.000 0.964 55 L CA -0.830 53.994 54.840 -0.026 0.000 0.839 55 L CB 1.639 43.662 42.059 -0.059 0.000 1.276 55 L HN 0.390 nan 8.230 nan 0.000 0.403 56 A N 5.541 128.355 122.820 -0.010 0.000 2.440 56 A HA 0.584 4.903 4.320 -0.000 0.000 0.251 56 A C -0.582 177.002 177.584 -0.000 0.000 1.089 56 A CA -0.149 51.889 52.037 0.002 0.000 0.779 56 A CB -0.064 18.937 19.000 0.002 0.000 1.022 56 A HN 0.752 nan 8.150 nan 0.000 0.492 57 L N 2.314 123.550 121.223 0.021 0.000 2.334 57 L HA 0.266 4.606 4.340 -0.000 0.000 0.275 57 L C 1.347 178.242 176.870 0.041 0.000 1.036 57 L CA -0.467 54.396 54.840 0.038 0.000 0.807 57 L CB 1.428 43.539 42.059 0.087 0.000 1.231 57 L HN 0.942 nan 8.230 nan 0.000 0.438 58 Q N 1.091 120.917 119.800 0.043 0.000 2.020 58 Q HA 0.015 4.355 4.340 -0.000 0.000 0.198 58 Q C -0.319 175.713 176.000 0.053 0.000 0.974 58 Q CA 1.032 56.859 55.803 0.040 0.000 0.829 58 Q CB 0.324 29.083 28.738 0.036 0.000 0.894 58 Q HN 0.441 nan 8.270 nan 0.000 0.433 59 V N 2.553 122.515 119.914 0.081 0.000 2.407 59 V HA 0.277 4.397 4.120 -0.000 0.000 0.291 59 V C -2.281 173.876 176.094 0.105 0.000 1.018 59 V CA -1.840 60.509 62.300 0.081 0.000 0.842 59 V CB 1.226 33.096 31.823 0.078 0.000 0.996 59 V HN 0.107 nan 8.190 nan 0.000 0.426 60 P HA 0.060 nan 4.420 nan 0.000 0.269 60 P C -0.233 177.104 177.300 0.062 0.000 1.211 60 P CA -0.079 63.073 63.100 0.088 0.000 0.781 60 P CB 0.418 32.159 31.700 0.068 0.000 0.877 61 V N 2.502 122.447 119.914 0.052 0.000 2.529 61 V HA 0.108 4.228 4.120 -0.000 0.000 0.292 61 V C 0.612 176.730 176.094 0.041 0.000 1.028 61 V CA 0.079 62.365 62.300 -0.023 0.000 1.074 61 V CB 0.747 32.554 31.823 -0.025 0.000 0.958 61 V HN 0.399 nan 8.190 nan 0.000 0.481 62 V N 6.165 126.107 119.914 0.047 0.000 2.459 62 V HA 0.589 4.708 4.120 -0.000 0.000 0.295 62 V C -0.201 175.961 176.094 0.113 0.000 1.029 62 V CA -0.862 61.482 62.300 0.072 0.000 0.874 62 V CB 1.778 33.626 31.823 0.041 0.000 0.985 62 V HN 0.751 nan 8.190 nan 0.000 0.438 63 M N 5.261 124.911 119.600 0.083 0.000 2.077 63 M HA 0.453 4.933 4.480 -0.000 0.000 0.348 63 M C -0.357 175.985 176.300 0.070 0.000 1.252 63 M CA 0.261 55.603 55.300 0.070 0.000 1.096 63 M CB 0.433 33.040 32.600 0.011 0.000 1.568 63 M HN 0.786 nan 8.290 nan 0.000 0.456 64 K N 2.736 123.219 120.400 0.139 0.000 2.464 64 K HA 0.202 4.522 4.320 -0.000 0.000 0.252 64 K C -0.670 175.989 176.600 0.098 0.000 1.000 64 K CA -0.073 56.254 56.287 0.065 0.000 0.951 64 K CB 0.540 32.999 32.500 -0.069 0.000 1.183 64 K HN 0.622 nan 8.250 nan 0.000 0.445 65 D N 3.767 124.192 120.400 0.041 0.000 2.786 65 D HA -0.152 4.488 4.640 -0.000 0.000 0.243 65 D C -0.924 175.391 176.300 0.025 0.000 1.084 65 D CA 0.929 54.950 54.000 0.034 0.000 0.731 65 D CB -1.575 39.253 40.800 0.048 0.000 1.079 65 D HN 0.883 nan 8.370 nan 0.000 0.435 66 N N -0.677 118.019 118.700 -0.007 0.000 2.661 66 N HA -0.250 4.490 4.740 -0.000 0.000 0.249 66 N C -0.838 174.628 175.510 -0.072 0.000 1.142 66 N CA 1.577 54.592 53.050 -0.059 0.000 0.727 66 N CB -0.164 38.296 38.487 -0.045 0.000 1.099 66 N HN 0.492 nan 8.380 nan 0.000 0.558 67 K N 0.055 120.454 120.400 -0.002 0.000 2.426 67 K HA 0.658 4.978 4.320 -0.000 0.000 0.254 67 K C -0.556 176.064 176.600 0.033 0.000 0.936 67 K CA -0.520 55.764 56.287 -0.005 0.000 0.801 67 K CB 1.840 34.383 32.500 0.073 0.000 1.139 67 K HN 0.131 nan 8.250 nan 0.000 0.424 68 A N 3.341 126.081 122.820 -0.133 0.000 2.366 68 A HA 0.466 4.786 4.320 -0.000 0.000 0.272 68 A C -1.231 176.124 177.584 -0.382 0.000 1.135 68 A CA -0.143 51.797 52.037 -0.162 0.000 0.804 68 A CB 0.057 18.876 19.000 -0.301 0.000 1.064 68 A HN 0.604 nan 8.150 nan 0.000 0.499 69 W N 1.394 122.582 121.300 -0.187 0.000 2.702 69 W HA 0.536 5.196 4.660 -0.000 0.000 0.331 69 W C -0.298 176.069 176.519 -0.253 0.000 1.049 69 W CA -0.494 56.738 57.345 -0.188 0.000 1.230 69 W CB 2.062 31.449 29.460 -0.121 0.000 1.408 69 W HN 0.713 nan 8.180 nan 0.000 0.492 70 V N 0.077 119.927 119.914 -0.106 0.000 3.001 70 V HA 0.709 4.829 4.120 -0.000 0.000 0.314 70 V C 0.183 176.260 176.094 -0.029 0.000 1.099 70 V CA -1.254 60.905 62.300 -0.234 0.000 0.989 70 V CB 1.102 32.474 31.823 -0.750 0.000 1.040 70 V HN 0.529 nan 8.190 nan 0.000 0.434 71 S N 1.341 117.061 115.700 0.032 0.000 2.563 71 S HA 0.003 4.473 4.470 -0.000 0.000 0.284 71 S C 1.028 175.690 174.600 0.103 0.000 1.331 71 S CA 0.550 58.806 58.200 0.092 0.000 1.047 71 S CB 0.423 63.698 63.200 0.125 0.000 0.859 71 S HN 1.170 nan 8.310 nan 0.000 0.514 72 D N 2.399 122.846 120.400 0.078 0.000 2.378 72 D HA -0.061 4.579 4.640 -0.000 0.000 0.222 72 D C 1.216 177.551 176.300 0.058 0.000 0.980 72 D CA 0.844 54.880 54.000 0.059 0.000 0.907 72 D CB -0.419 40.408 40.800 0.044 0.000 0.899 72 D HN 0.488 nan 8.370 nan 0.000 0.527 73 T N -1.052 113.550 114.554 0.081 0.000 3.054 73 T HA 0.103 4.453 4.350 -0.000 0.000 0.255 73 T C 0.859 175.602 174.700 0.071 0.000 1.035 73 T CA -0.557 61.576 62.100 0.055 0.000 0.941 73 T CB -0.474 68.418 68.868 0.040 0.000 1.026 73 T HN 0.095 nan 8.240 nan 0.000 0.533 74 F N 1.820 121.749 119.950 -0.035 0.000 2.091 74 F HA -0.071 4.456 4.527 -0.000 0.000 0.299 74 F C 1.686 177.466 175.800 -0.033 0.000 1.103 74 F CA 1.544 59.524 58.000 -0.034 0.000 1.228 74 F CB -0.229 38.751 39.000 -0.034 0.000 0.984 74 F HN 0.162 nan 8.300 nan 0.000 0.477 75 I N 0.339 120.929 120.570 0.034 0.000 2.179 75 I HA -0.364 3.806 4.170 -0.000 0.000 0.242 75 I C 2.542 178.573 176.117 -0.143 0.000 1.088 75 I CA 1.753 62.982 61.300 -0.118 0.000 1.357 75 I CB -0.786 36.986 38.000 -0.380 0.000 1.051 75 I HN 0.355 nan 8.210 nan 0.000 0.409 76 N N 1.163 119.791 118.700 -0.120 0.000 2.058 76 N HA -0.223 4.517 4.740 -0.000 0.000 0.191 76 N C 1.392 176.848 175.510 -0.090 0.000 1.037 76 N CA 2.094 55.098 53.050 -0.077 0.000 0.848 76 N CB -0.123 38.335 38.487 -0.049 0.000 1.021 76 N HN 0.237 nan 8.380 nan 0.000 0.422 77 D N 0.194 120.521 120.400 -0.122 0.000 2.149 77 D HA -0.096 4.544 4.640 -0.000 0.000 0.198 77 D C 2.020 178.178 176.300 -0.237 0.000 0.990 77 D CA 0.753 54.664 54.000 -0.148 0.000 0.839 77 D CB -0.152 40.569 40.800 -0.131 0.000 0.948 77 D HN 0.183 nan 8.370 nan 0.000 0.460 78 V N -0.576 119.096 119.914 -0.403 0.000 2.492 78 V HA -0.037 4.083 4.120 -0.000 0.000 0.241 78 V C 1.740 177.566 176.094 -0.445 0.000 1.041 78 V CA 0.862 62.836 62.300 -0.544 0.000 1.057 78 V CB -0.296 30.929 31.823 -0.997 0.000 0.711 78 V HN 0.038 nan 8.190 nan 0.000 0.468 79 F N -0.276 119.555 119.950 -0.199 0.000 2.619 79 F HA 0.132 4.659 4.527 -0.000 0.000 0.293 79 F C 1.933 177.726 175.800 -0.011 0.000 1.119 79 F CA 0.569 58.537 58.000 -0.054 0.000 1.445 79 F CB 0.127 39.138 39.000 0.018 0.000 1.119 79 F HN 0.121 nan 8.300 nan 0.000 0.573 80 Q N -0.623 119.236 119.800 0.098 0.000 2.206 80 Q HA 0.090 4.430 4.340 -0.000 0.000 0.265 80 Q C 1.669 177.681 176.000 0.020 0.000 0.866 80 Q CA 0.022 55.866 55.803 0.069 0.000 1.073 80 Q CB 0.341 29.106 28.738 0.046 0.000 1.165 80 Q HN 0.243 nan 8.270 nan 0.000 0.465 81 S N -1.930 113.763 115.700 -0.011 0.000 2.436 81 S HA 0.130 4.600 4.470 -0.000 0.000 0.228 81 S C 1.636 176.232 174.600 -0.006 0.000 1.014 81 S CA 0.709 58.889 58.200 -0.032 0.000 0.950 81 S CB 0.213 63.367 63.200 -0.077 0.000 0.784 81 S HN 0.485 nan 8.310 nan 0.000 0.504 82 G N 0.957 109.766 108.800 0.017 0.000 2.213 82 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.226 82 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.226 82 G C 0.626 175.540 174.900 0.024 0.000 0.992 82 G CA 0.205 45.322 45.100 0.029 0.000 0.632 82 G HN 0.474 nan 8.290 nan 0.000 0.511 83 L N 0.768 121.995 121.223 0.005 0.000 2.395 83 L HA 0.206 4.546 4.340 -0.000 0.000 0.218 83 L C 1.009 177.892 176.870 0.023 0.000 1.130 83 L CA 0.728 55.570 54.840 0.003 0.000 0.826 83 L CB -0.035 42.011 42.059 -0.020 0.000 0.941 83 L HN 0.241 nan 8.230 nan 0.000 0.451 84 D N 0.557 120.984 120.400 0.046 0.000 2.339 84 D HA 0.042 4.682 4.640 -0.000 0.000 0.241 84 D C 0.689 177.052 176.300 0.105 0.000 1.183 84 D CA -0.010 54.043 54.000 0.089 0.000 0.859 84 D CB 0.946 41.833 40.800 0.144 0.000 1.067 84 D HN 0.099 nan 8.370 nan 0.000 0.484 85 Q N 2.326 122.170 119.800 0.072 0.000 2.320 85 Q HA 0.024 4.364 4.340 -0.000 0.000 0.201 85 Q C 1.186 177.215 176.000 0.049 0.000 0.910 85 Q CA 0.123 55.961 55.803 0.059 0.000 0.946 85 Q CB 0.388 29.141 28.738 0.025 0.000 1.062 85 Q HN 0.505 nan 8.270 nan 0.000 0.503 86 T N 0.769 115.363 114.554 0.067 0.000 2.720 86 T HA -0.098 4.252 4.350 -0.000 0.000 0.268 86 T C 0.276 174.859 174.700 -0.196 0.000 1.037 86 T CA 1.202 63.266 62.100 -0.061 0.000 1.144 86 T CB -0.076 68.807 68.868 0.025 0.000 0.864 86 T HN 0.094 nan 8.240 nan 0.000 0.444 87 F N 1.607 121.598 119.950 0.067 0.000 2.436 87 F HA 0.482 5.009 4.527 -0.000 0.000 0.340 87 F C 0.393 176.222 175.800 0.048 0.000 1.113 87 F CA -1.075 56.961 58.000 0.061 0.000 1.022 87 F CB 1.167 40.204 39.000 0.062 0.000 1.128 87 F HN -0.158 nan 8.300 nan 0.000 0.466 88 Q N 2.261 122.163 119.800 0.170 0.000 2.387 88 Q HA 0.485 4.825 4.340 -0.000 0.000 0.273 88 Q C -0.604 175.467 176.000 0.118 0.000 1.089 88 Q CA -1.073 54.798 55.803 0.115 0.000 0.824 88 Q CB 2.802 31.577 28.738 0.061 0.000 1.367 88 Q HN 0.592 nan 8.270 nan 0.000 0.443 89 V N -0.969 119.000 119.914 0.091 0.000 2.715 89 V HA 0.200 4.320 4.120 -0.000 0.000 0.299 89 V C 0.113 176.252 176.094 0.076 0.000 1.054 89 V CA -0.275 62.074 62.300 0.082 0.000 1.077 89 V CB 0.911 32.772 31.823 0.063 0.000 0.972 89 V HN 0.832 nan 8.190 nan 0.000 0.484 90 E N 3.978 124.227 120.200 0.082 0.000 1.996 90 E HA 0.253 4.603 4.350 -0.000 0.000 0.280 90 E C 0.596 177.246 176.600 0.083 0.000 1.092 90 E CA -0.340 56.114 56.400 0.091 0.000 0.862 90 E CB 0.788 30.548 29.700 0.101 0.000 1.066 90 E HN 0.823 nan 8.360 nan 0.000 0.396 91 K N 3.012 123.459 120.400 0.079 0.000 2.228 91 K HA 0.048 4.367 4.320 -0.000 0.000 0.202 91 K C 0.343 176.994 176.600 0.085 0.000 1.051 91 K CA 0.674 57.002 56.287 0.068 0.000 0.960 91 K CB 0.334 32.865 32.500 0.051 0.000 0.743 91 K HN 0.282 nan 8.250 nan 0.000 0.458 92 R N 1.469 122.044 120.500 0.126 0.000 2.388 92 R HA 0.241 4.581 4.340 -0.000 0.000 0.314 92 R C -2.750 173.682 176.300 0.221 0.000 0.959 92 R CA -1.944 54.260 56.100 0.173 0.000 0.851 92 R CB 1.606 32.037 30.300 0.217 0.000 1.168 92 R HN -0.100 nan 8.270 nan 0.000 0.472 93 P HA -0.056 nan 4.420 nan 0.000 0.271 93 P C -0.638 176.574 177.300 -0.146 0.000 1.226 93 P CA -0.056 63.070 63.100 0.044 0.000 0.765 93 P CB 0.400 32.100 31.700 0.001 0.000 0.835 94 H N 6.759 125.684 119.070 -0.242 0.000 3.034 94 H HA -0.018 4.538 4.556 -0.000 0.000 0.324 94 H C -1.233 173.726 175.328 -0.616 0.000 1.015 94 H CA -0.893 54.769 56.048 -0.644 0.000 1.429 94 H CB 0.728 30.325 29.762 -0.275 0.000 1.429 94 H HN 0.318 nan 8.280 nan 0.000 0.585 95 P HA -0.068 nan 4.420 nan 0.000 0.230 95 P C 1.229 178.381 177.300 -0.248 0.000 1.158 95 P CA 0.696 63.518 63.100 -0.463 0.000 0.769 95 P CB 0.321 31.725 31.700 -0.493 0.000 0.807 96 L N -1.058 120.074 121.223 -0.151 0.000 2.592 96 L HA 0.128 4.468 4.340 -0.000 0.000 0.227 96 L C 0.814 177.635 176.870 -0.082 0.000 1.127 96 L CA -0.214 54.510 54.840 -0.193 0.000 0.884 96 L CB -0.898 40.962 42.059 -0.332 0.000 1.065 96 L HN -0.058 nan 8.230 nan 0.000 0.457 97 N N 1.381 120.084 118.700 0.005 0.000 2.293 97 N HA 0.057 4.797 4.740 -0.000 0.000 0.253 97 N C 0.516 176.060 175.510 0.057 0.000 1.248 97 N CA -0.147 52.993 53.050 0.150 0.000 0.845 97 N CB 0.678 39.218 38.487 0.088 0.000 1.073 97 N HN 0.200 nan 8.380 nan 0.000 0.464 98 A N 3.135 125.979 122.820 0.041 0.000 2.492 98 A HA 0.087 4.407 4.320 -0.000 0.000 0.236 98 A C 0.553 178.131 177.584 -0.009 0.000 1.078 98 A CA -0.315 51.721 52.037 -0.003 0.000 0.773 98 A CB 0.159 19.142 19.000 -0.028 0.000 1.023 98 A HN 0.646 nan 8.150 nan 0.000 0.504 99 L N 1.649 122.862 121.223 -0.017 0.000 2.578 99 L HA 0.052 4.392 4.340 -0.000 0.000 0.279 99 L C 1.431 178.289 176.870 -0.021 0.000 1.227 99 L CA 0.202 55.031 54.840 -0.020 0.000 0.900 99 L CB -0.381 41.664 42.059 -0.024 0.000 1.144 99 L HN 0.978 nan 8.230 nan 0.000 0.496 100 T N -0.110 114.433 114.554 -0.019 0.000 2.816 100 T HA 0.372 4.722 4.350 -0.000 0.000 0.282 100 T C 1.243 175.928 174.700 -0.025 0.000 0.993 100 T CA -0.249 61.841 62.100 -0.018 0.000 0.994 100 T CB 1.514 70.374 68.868 -0.013 0.000 1.025 100 T HN 0.618 nan 8.240 nan 0.000 0.529 101 A N 0.679 123.485 122.820 -0.024 0.000 1.908 101 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 101 A C 2.076 179.638 177.584 -0.036 0.000 1.181 101 A CA 1.841 53.859 52.037 -0.031 0.000 0.627 101 A CB -1.064 17.921 19.000 -0.025 0.000 0.818 101 A HN 0.916 nan 8.150 nan 0.000 0.445 102 D N -0.525 119.858 120.400 -0.028 0.000 2.117 102 D HA -0.109 4.531 4.640 -0.000 0.000 0.198 102 D C 1.948 178.229 176.300 -0.032 0.000 0.982 102 D CA 1.400 55.384 54.000 -0.028 0.000 0.828 102 D CB -0.345 40.444 40.800 -0.019 0.000 0.967 102 D HN 0.655 nan 8.370 nan 0.000 0.464 103 E N 0.303 120.485 120.200 -0.029 0.000 2.110 103 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 103 E C 2.331 178.904 176.600 -0.044 0.000 0.988 103 E CA 0.385 56.767 56.400 -0.030 0.000 0.804 103 E CB 0.005 29.691 29.700 -0.024 0.000 0.745 103 E HN 0.285 nan 8.360 nan 0.000 0.458 104 I N 1.284 121.820 120.570 -0.056 0.000 2.163 104 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 104 I C 2.315 178.366 176.117 -0.110 0.000 1.085 104 I CA 1.335 62.582 61.300 -0.087 0.000 1.347 104 I CB -0.157 37.789 38.000 -0.091 0.000 1.044 104 I HN 0.027 nan 8.210 nan 0.000 0.408 105 K N 0.067 120.416 120.400 -0.086 0.000 2.057 105 K HA -0.251 4.069 4.320 -0.000 0.000 0.207 105 K C 2.156 178.713 176.600 -0.072 0.000 1.049 105 K CA 1.367 57.603 56.287 -0.085 0.000 0.931 105 K CB -0.255 32.208 32.500 -0.062 0.000 0.714 105 K HN 0.380 nan 8.250 nan 0.000 0.440 106 Q N 0.579 120.347 119.800 -0.052 0.000 2.061 106 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 106 Q C 2.066 178.045 176.000 -0.035 0.000 0.984 106 Q CA 1.796 57.577 55.803 -0.037 0.000 0.846 106 Q CB -0.132 28.591 28.738 -0.024 0.000 0.902 106 Q HN 0.345 nan 8.270 nan 0.000 0.421 107 A N -0.201 122.594 122.820 -0.042 0.000 1.902 107 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 107 A C 2.208 179.772 177.584 -0.033 0.000 1.181 107 A CA 1.555 53.576 52.037 -0.025 0.000 0.623 107 A CB -0.728 18.253 19.000 -0.031 0.000 0.818 107 A HN 0.316 nan 8.150 nan 0.000 0.443 108 V N 0.074 119.921 119.914 -0.113 0.000 2.295 108 V HA -0.292 3.827 4.120 -0.000 0.000 0.246 108 V C 2.407 178.457 176.094 -0.074 0.000 1.049 108 V CA 2.368 64.589 62.300 -0.132 0.000 1.024 108 V CB -0.899 30.765 31.823 -0.266 0.000 0.648 108 V HN 0.648 nan 8.190 nan 0.000 0.447 109 E N -0.146 120.011 120.200 -0.072 0.000 2.077 109 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 109 E C 2.157 178.731 176.600 -0.044 0.000 0.989 109 E CA 1.525 57.885 56.400 -0.066 0.000 0.800 109 E CB -0.231 29.440 29.700 -0.048 0.000 0.746 109 E HN 0.563 nan 8.360 nan 0.000 0.452 110 I N 0.789 121.355 120.570 -0.007 0.000 2.226 110 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 110 I C 2.536 178.698 176.117 0.074 0.000 1.100 110 I CA 1.008 62.326 61.300 0.030 0.000 1.374 110 I CB -0.278 37.751 38.000 0.048 0.000 1.057 110 I HN 0.100 nan 8.210 nan 0.000 0.413 111 V N -2.048 117.937 119.914 0.118 0.000 2.591 111 V HA -0.108 4.012 4.120 -0.000 0.000 0.249 111 V C 2.160 178.292 176.094 0.063 0.000 1.053 111 V CA 1.177 63.641 62.300 0.272 0.000 1.068 111 V CB -0.796 31.308 31.823 0.469 0.000 0.689 111 V HN 0.289 nan 8.190 nan 0.000 0.462 112 K N 0.970 121.195 120.400 -0.291 0.000 2.362 112 K HA 0.162 4.482 4.320 -0.000 0.000 0.200 112 K C 2.113 178.578 176.600 -0.225 0.000 1.046 112 K CA 1.137 57.036 56.287 -0.647 0.000 0.952 112 K CB -0.275 31.894 32.500 -0.551 0.000 0.753 112 K HN 0.622 nan 8.250 nan 0.000 0.466 113 A N 0.866 123.632 122.820 -0.090 0.000 2.167 113 A HA -0.009 4.311 4.320 -0.000 0.000 0.214 113 A C 1.057 178.625 177.584 -0.027 0.000 1.151 113 A CA 0.232 52.244 52.037 -0.043 0.000 0.735 113 A CB -0.002 18.982 19.000 -0.026 0.000 0.802 113 A HN 0.189 nan 8.150 nan 0.000 0.467 114 S N -0.861 114.834 115.700 -0.008 0.000 2.580 114 S HA 0.477 4.947 4.470 -0.000 0.000 0.274 114 S C 1.228 175.795 174.600 -0.056 0.000 1.329 114 S CA 0.010 58.150 58.200 -0.100 0.000 1.036 114 S CB 1.302 64.319 63.200 -0.304 0.000 0.919 114 S HN 0.709 nan 8.310 nan 0.000 0.515 115 A N 2.975 125.724 122.820 -0.118 0.000 2.014 115 A HA 0.041 4.361 4.320 -0.000 0.000 0.218 115 A C 1.472 179.019 177.584 -0.062 0.000 1.163 115 A CA 1.126 53.125 52.037 -0.063 0.000 0.652 115 A CB -0.452 18.502 19.000 -0.078 0.000 0.808 115 A HN 0.882 nan 8.150 nan 0.000 0.449 116 D N -1.218 119.059 120.400 -0.206 0.000 2.363 116 D HA 0.009 4.648 4.640 -0.000 0.000 0.226 116 D C -0.157 176.222 176.300 0.131 0.000 1.020 116 D CA 0.189 54.098 54.000 -0.152 0.000 0.892 116 D CB -0.201 40.327 40.800 -0.453 0.000 0.900 116 D HN 0.428 nan 8.370 nan 0.000 0.531 117 F N 3.048 123.036 119.950 0.064 0.000 2.464 117 F HA 0.093 4.620 4.527 -0.000 0.000 0.353 117 F C 0.599 176.474 175.800 0.123 0.000 1.191 117 F CA -0.727 57.415 58.000 0.236 0.000 1.147 117 F CB 0.206 39.347 39.000 0.234 0.000 1.294 117 F HN -0.427 nan 8.300 nan 0.000 0.583 118 K N 6.986 127.266 120.400 -0.201 0.000 2.168 118 K HA 0.190 4.510 4.320 -0.000 0.000 0.258 118 K C -1.797 174.721 176.600 -0.136 0.000 1.010 118 K CA -1.589 54.633 56.287 -0.109 0.000 0.929 118 K CB 0.340 32.786 32.500 -0.090 0.000 0.998 118 K HN 0.273 nan 8.250 nan 0.000 0.479 119 P HA -0.027 nan 4.420 nan 0.000 0.222 119 P C 0.079 177.411 177.300 0.052 0.000 1.153 119 P CA 1.060 64.210 63.100 0.084 0.000 0.798 119 P CB 0.265 32.009 31.700 0.074 0.000 0.796 120 N N -1.420 117.271 118.700 -0.015 0.000 2.376 120 N HA 0.074 4.814 4.740 -0.000 0.000 0.249 120 N C -0.485 174.988 175.510 -0.063 0.000 1.140 120 N CA 0.167 53.216 53.050 -0.002 0.000 0.870 120 N CB -0.536 37.956 38.487 0.009 0.000 1.124 120 N HN -0.053 nan 8.380 nan 0.000 0.505 121 T N 0.838 115.280 114.554 -0.186 0.000 2.888 121 T HA 0.207 4.557 4.350 -0.000 0.000 0.301 121 T C 0.683 175.212 174.700 -0.284 0.000 1.001 121 T CA 0.259 62.131 62.100 -0.381 0.000 1.147 121 T CB 0.792 69.084 68.868 -0.960 0.000 0.931 121 T HN 0.108 nan 8.240 nan 0.000 0.541 122 R N 1.114 121.444 120.500 -0.283 0.000 2.828 122 R HA 0.600 4.940 4.340 -0.000 0.000 0.264 122 R C -1.046 175.042 176.300 -0.354 0.000 1.022 122 R CA -0.750 55.264 56.100 -0.145 0.000 1.021 122 R CB 1.215 31.591 30.300 0.126 0.000 1.163 122 R HN 0.460 nan 8.270 nan 0.000 0.494 123 F N -0.211 119.833 119.950 0.157 0.000 2.444 123 F HA 0.206 4.733 4.527 -0.000 0.000 0.342 123 F C 1.527 177.399 175.800 0.120 0.000 1.121 123 F CA -0.586 57.485 58.000 0.119 0.000 0.997 123 F CB 2.004 41.069 39.000 0.110 0.000 1.130 123 F HN 0.627 nan 8.300 nan 0.000 0.454 124 T N -1.805 112.882 114.554 0.221 0.000 3.009 124 T HA 0.147 4.497 4.350 -0.000 0.000 0.258 124 T C 0.330 175.122 174.700 0.153 0.000 1.063 124 T CA 0.454 62.651 62.100 0.162 0.000 1.139 124 T CB 0.162 69.093 68.868 0.105 0.000 0.890 124 T HN 0.585 nan 8.240 nan 0.000 0.471 125 E N -0.371 119.931 120.200 0.170 0.000 2.335 125 E HA 0.574 4.924 4.350 -0.000 0.000 0.280 125 E C -1.899 174.778 176.600 0.128 0.000 0.918 125 E CA -0.770 55.704 56.400 0.123 0.000 0.765 125 E CB 2.129 31.877 29.700 0.079 0.000 1.218 125 E HN 0.340 nan 8.360 nan 0.000 0.425 126 I N 2.768 123.380 120.570 0.070 0.000 2.476 126 I HA 0.367 4.537 4.170 -0.000 0.000 0.281 126 I C -0.783 175.342 176.117 0.014 0.000 1.040 126 I CA -0.375 60.941 61.300 0.027 0.000 1.094 126 I CB 1.723 39.689 38.000 -0.057 0.000 1.219 126 I HN 0.274 nan 8.210 nan 0.000 0.450 127 S N 4.757 120.470 115.700 0.023 0.000 2.595 127 S HA 0.496 4.966 4.470 -0.000 0.000 0.281 127 S C -0.714 173.892 174.600 0.010 0.000 1.117 127 S CA -0.618 57.590 58.200 0.014 0.000 0.873 127 S CB 2.432 65.649 63.200 0.027 0.000 1.108 127 S HN 0.474 nan 8.310 nan 0.000 0.477 128 L N 2.613 123.835 121.223 -0.002 0.000 2.640 128 L HA 0.143 4.483 4.340 -0.000 0.000 0.280 128 L C -0.522 176.349 176.870 0.002 0.000 1.229 128 L CA 0.216 55.053 54.840 -0.005 0.000 0.919 128 L CB -0.128 41.920 42.059 -0.017 0.000 1.168 128 L HN 0.591 nan 8.230 nan 0.000 0.496 129 L N 9.424 130.651 121.223 0.007 0.000 2.315 129 L HA 0.457 4.797 4.340 -0.000 0.000 0.283 129 L C -2.059 174.814 176.870 0.005 0.000 1.089 129 L CA -1.419 53.428 54.840 0.012 0.000 0.833 129 L CB 0.236 42.307 42.059 0.020 0.000 1.170 129 L HN 0.541 nan 8.230 nan 0.000 0.442 130 P HA 0.232 nan 4.420 nan 0.000 0.271 130 P C -2.564 174.748 177.300 0.019 0.000 1.226 130 P CA -1.066 62.041 63.100 0.011 0.000 0.765 130 P CB 0.005 31.727 31.700 0.036 0.000 0.835 131 P HA 0.038 nan 4.420 nan 0.000 0.272 131 P C -0.094 177.220 177.300 0.023 0.000 1.254 131 P CA 0.011 63.111 63.100 0.000 0.000 0.795 131 P CB 0.338 32.019 31.700 -0.031 0.000 1.022 132 D N 0.000 120.410 120.400 0.016 0.000 2.341 132 D HA 0.015 4.655 4.640 -0.000 0.000 0.245 132 D C 0.885 177.175 176.300 -0.016 0.000 1.106 132 D CA -0.433 53.579 54.000 0.019 0.000 0.905 132 D CB 1.223 42.033 40.800 0.017 0.000 1.202 132 D HN 0.330 nan 8.370 nan 0.000 0.426 133 K N 1.517 121.862 120.400 -0.092 0.000 2.044 133 K HA -0.265 4.055 4.320 -0.000 0.000 0.210 133 K C 1.800 178.274 176.600 -0.209 0.000 1.049 133 K CA 1.491 57.545 56.287 -0.388 0.000 0.927 133 K CB 0.019 32.082 32.500 -0.728 0.000 0.713 133 K HN 0.522 nan 8.250 nan 0.000 0.443 134 E N -0.203 119.951 120.200 -0.076 0.000 2.077 134 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 134 E C 1.878 178.528 176.600 0.083 0.000 0.989 134 E CA 1.186 57.606 56.400 0.034 0.000 0.800 134 E CB -0.125 29.584 29.700 0.015 0.000 0.746 134 E HN 0.481 nan 8.360 nan 0.000 0.452 135 A N 0.568 123.415 122.820 0.046 0.000 1.902 135 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 135 A C 2.449 180.085 177.584 0.087 0.000 1.181 135 A CA 1.449 53.523 52.037 0.061 0.000 0.623 135 A CB -0.614 18.404 19.000 0.030 0.000 0.818 135 A HN 0.186 nan 8.150 nan 0.000 0.443 136 V N -2.313 117.631 119.914 0.050 0.000 2.343 136 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 136 V C 2.227 178.411 176.094 0.151 0.000 1.051 136 V CA 1.693 64.012 62.300 0.031 0.000 1.036 136 V CB -1.128 30.705 31.823 0.017 0.000 0.654 136 V HN 0.780 nan 8.190 nan 0.000 0.451 137 W N 0.084 121.470 121.300 0.143 0.000 2.363 137 W HA -0.144 4.516 4.660 -0.000 0.000 0.296 137 W C 2.564 179.140 176.519 0.096 0.000 1.212 137 W CA 1.007 58.432 57.345 0.134 0.000 1.260 137 W CB -0.186 29.309 29.460 0.059 0.000 1.131 137 W HN 0.204 nan 8.180 nan 0.000 0.530 138 A N -0.725 122.284 122.820 0.315 0.000 2.014 138 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 138 A C 1.589 179.266 177.584 0.156 0.000 1.163 138 A CA 1.082 53.232 52.037 0.188 0.000 0.652 138 A CB -1.130 17.942 19.000 0.119 0.000 0.808 138 A HN 0.390 nan 8.150 nan 0.000 0.449 139 F N 1.185 121.158 119.950 0.039 0.000 2.069 139 F HA -0.157 4.369 4.527 -0.000 0.000 0.298 139 F C 2.448 178.258 175.800 0.016 0.000 1.113 139 F CA 1.667 59.653 58.000 -0.024 0.000 1.214 139 F CB -0.332 38.579 39.000 -0.148 0.000 0.978 139 F HN 0.239 nan 8.300 nan 0.000 0.474 140 A N 0.059 123.020 122.820 0.235 0.000 1.929 140 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 140 A C 2.172 179.850 177.584 0.156 0.000 1.176 140 A CA 1.607 53.786 52.037 0.236 0.000 0.628 140 A CB -0.868 18.391 19.000 0.432 0.000 0.816 140 A HN 0.497 nan 8.150 nan 0.000 0.444 141 L N -2.073 119.268 121.223 0.196 0.000 2.354 141 L HA 0.127 4.467 4.340 -0.000 0.000 0.212 141 L C 1.820 178.704 176.870 0.024 0.000 1.091 141 L CA 0.821 55.732 54.840 0.118 0.000 0.828 141 L CB 0.073 42.201 42.059 0.115 0.000 0.973 141 L HN 0.312 nan 8.230 nan 0.000 0.461 142 E N -1.048 119.149 120.200 -0.005 0.000 2.601 142 E HA 0.116 4.466 4.350 -0.000 0.000 0.219 142 E C -0.081 176.457 176.600 -0.103 0.000 0.964 142 E CA -0.139 56.237 56.400 -0.041 0.000 1.050 142 E CB 0.672 30.366 29.700 -0.011 0.000 1.068 142 E HN 0.180 nan 8.360 nan 0.000 0.496 143 N N 1.242 119.811 118.700 -0.219 0.000 2.800 143 N HA -0.222 4.518 4.740 -0.000 0.000 0.250 143 N C -0.168 175.228 175.510 -0.188 0.000 1.078 143 N CA 0.893 53.730 53.050 -0.356 0.000 0.804 143 N CB -1.008 37.327 38.487 -0.253 0.000 1.135 143 N HN 0.204 nan 8.380 nan 0.000 0.565 144 K N 2.002 122.356 120.400 -0.077 0.000 2.383 144 K HA 0.190 4.509 4.320 -0.000 0.000 0.286 144 K C -2.402 174.257 176.600 0.097 0.000 1.051 144 K CA -0.959 55.335 56.287 0.011 0.000 0.974 144 K CB 0.625 33.144 32.500 0.032 0.000 0.968 144 K HN -0.154 nan 8.250 nan 0.000 0.475 145 P HA -0.065 nan 4.420 nan 0.000 0.265 145 P C -0.902 176.468 177.300 0.116 0.000 1.193 145 P CA -0.346 62.847 63.100 0.154 0.000 0.765 145 P CB 0.718 32.473 31.700 0.092 0.000 0.823 146 V N 3.608 123.584 119.914 0.104 0.000 2.555 146 V HA 0.033 4.153 4.120 -0.000 0.000 0.286 146 V C 0.569 176.676 176.094 0.021 0.000 1.044 146 V CA 0.708 63.031 62.300 0.039 0.000 1.026 146 V CB 0.612 32.419 31.823 -0.026 0.000 0.981 146 V HN 0.505 nan 8.190 nan 0.000 0.480 147 D N 4.017 124.429 120.400 0.019 0.000 2.930 147 D HA 0.407 5.047 4.640 -0.000 0.000 0.304 147 D C -0.101 176.203 176.300 0.007 0.000 1.298 147 D CA -0.022 53.986 54.000 0.014 0.000 0.949 147 D CB 0.407 41.218 40.800 0.018 0.000 1.013 147 D HN 0.614 nan 8.370 nan 0.000 0.510 148 Q N 0.769 120.568 119.800 -0.001 0.000 2.433 148 Q HA 0.560 4.900 4.340 -0.000 0.000 0.279 148 Q C -2.290 173.706 176.000 -0.006 0.000 1.105 148 Q CA -1.903 53.900 55.803 -0.001 0.000 0.815 148 Q CB 2.154 30.890 28.738 -0.004 0.000 1.403 148 Q HN 0.121 nan 8.270 nan 0.000 0.435 149 P HA 0.198 nan 4.420 nan 0.000 0.276 149 P C -0.962 176.333 177.300 -0.009 0.000 1.244 149 P CA -0.543 62.554 63.100 -0.004 0.000 0.801 149 P CB 0.726 32.428 31.700 0.003 0.000 1.006 150 R N 1.785 122.277 120.500 -0.013 0.000 2.489 150 R HA 0.220 4.560 4.340 -0.000 0.000 0.287 150 R C 0.363 176.660 176.300 -0.004 0.000 1.053 150 R CA 0.273 56.364 56.100 -0.016 0.000 1.036 150 R CB 0.259 30.547 30.300 -0.020 0.000 0.966 150 R HN 0.506 nan 8.270 nan 0.000 0.432 151 K N 0.844 121.243 120.400 -0.002 0.000 2.328 151 K HA 0.637 4.957 4.320 -0.000 0.000 0.246 151 K C -0.979 175.627 176.600 0.011 0.000 0.955 151 K CA -0.753 55.540 56.287 0.010 0.000 0.817 151 K CB 2.477 34.987 32.500 0.016 0.000 1.208 151 K HN 0.611 nan 8.250 nan 0.000 0.432 152 A N 1.740 124.573 122.820 0.021 0.000 2.371 152 A HA 0.381 4.701 4.320 -0.000 0.000 0.311 152 A C -1.273 176.334 177.584 0.039 0.000 1.068 152 A CA -0.804 51.247 52.037 0.023 0.000 0.744 152 A CB 0.861 19.870 19.000 0.015 0.000 1.239 152 A HN 0.634 nan 8.150 nan 0.000 0.435 153 D N 1.621 122.046 120.400 0.041 0.000 2.295 153 D HA 0.408 5.048 4.640 -0.000 0.000 0.248 153 D C -0.655 175.686 176.300 0.068 0.000 1.154 153 D CA 0.383 54.415 54.000 0.054 0.000 0.857 153 D CB 1.594 42.427 40.800 0.055 0.000 1.117 153 D HN 0.142 nan 8.370 nan 0.000 0.468 154 V N 4.840 124.803 119.914 0.082 0.000 2.350 154 V HA 0.369 4.489 4.120 -0.000 0.000 0.285 154 V C 0.317 176.478 176.094 0.112 0.000 1.014 154 V CA -0.682 61.698 62.300 0.132 0.000 0.831 154 V CB 1.323 33.250 31.823 0.173 0.000 1.000 154 V HN 0.356 nan 8.190 nan 0.000 0.433 155 I N 5.919 126.576 120.570 0.145 0.000 2.362 155 I HA 0.524 4.694 4.170 -0.000 0.000 0.289 155 I C -0.299 175.867 176.117 0.082 0.000 0.994 155 I CA -0.292 61.061 61.300 0.088 0.000 1.158 155 I CB 1.734 39.805 38.000 0.118 0.000 1.315 155 I HN 0.455 nan 8.210 nan 0.000 0.451 156 M N 6.469 126.028 119.600 -0.069 0.000 2.528 156 M HA 0.462 4.942 4.480 -0.000 0.000 0.321 156 M C -1.133 175.046 176.300 -0.202 0.000 1.153 156 M CA -0.838 54.334 55.300 -0.212 0.000 0.951 156 M CB 2.727 35.115 32.600 -0.353 0.000 1.705 156 M HN 0.335 nan 8.290 nan 0.000 0.451 157 L N 2.833 123.929 121.223 -0.213 0.000 2.318 157 L HA 0.423 4.763 4.340 -0.000 0.000 0.277 157 L C -1.141 175.608 176.870 -0.202 0.000 1.008 157 L CA -0.102 54.638 54.840 -0.168 0.000 0.846 157 L CB 0.868 42.863 42.059 -0.106 0.000 1.220 157 L HN 0.522 nan 8.230 nan 0.000 0.423 158 D N 4.480 124.774 120.400 -0.177 0.000 2.467 158 D HA 0.535 5.175 4.640 -0.000 0.000 0.220 158 D C 0.979 177.220 176.300 -0.097 0.000 1.103 158 D CA 0.877 54.787 54.000 -0.150 0.000 0.886 158 D CB 0.765 41.497 40.800 -0.114 0.000 1.025 158 D HN 0.826 nan 8.370 nan 0.000 0.514 159 G N 5.212 113.938 108.800 -0.124 0.000 2.677 159 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.321 159 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.321 159 G C 0.849 175.616 174.900 -0.221 0.000 1.181 159 G CA 0.908 45.918 45.100 -0.150 0.000 0.965 159 G HN 0.631 nan 8.290 nan 0.000 0.548 160 K N 1.063 121.228 120.400 -0.393 0.000 2.358 160 K HA 0.334 4.654 4.320 -0.000 0.000 0.200 160 K C 0.311 176.616 176.600 -0.491 0.000 1.030 160 K CA 0.193 56.227 56.287 -0.423 0.000 1.097 160 K CB 0.284 32.514 32.500 -0.450 0.000 0.862 160 K HN 0.691 nan 8.250 nan 0.000 0.534 161 H N 1.011 119.979 119.070 -0.170 0.000 2.527 161 H HA 0.265 4.821 4.556 -0.000 0.000 0.321 161 H C -0.375 174.827 175.328 -0.211 0.000 1.087 161 H CA -0.838 55.096 56.048 -0.191 0.000 1.337 161 H CB 1.246 30.916 29.762 -0.154 0.000 1.440 161 H HN -0.022 nan 8.280 nan 0.000 0.490 162 I N 4.481 124.970 120.570 -0.135 0.000 2.385 162 I HA 0.236 4.406 4.170 -0.000 0.000 0.294 162 I C 0.054 176.048 176.117 -0.204 0.000 0.988 162 I CA -0.181 60.995 61.300 -0.207 0.000 1.265 162 I CB 0.781 38.561 38.000 -0.366 0.000 1.388 162 I HN 0.576 nan 8.210 nan 0.000 0.480 163 I N 5.560 125.992 120.570 -0.230 0.000 2.569 163 I HA 0.275 4.445 4.170 -0.000 0.000 0.290 163 I C -0.275 175.667 176.117 -0.292 0.000 1.088 163 I CA -0.631 60.475 61.300 -0.323 0.000 1.047 163 I CB 2.321 40.004 38.000 -0.528 0.000 1.237 163 I HN 0.452 nan 8.210 nan 0.000 0.421 164 E N 5.087 125.148 120.200 -0.231 0.000 2.134 164 E HA 0.682 5.032 4.350 -0.000 0.000 0.278 164 E C -0.746 175.754 176.600 -0.167 0.000 0.959 164 E CA -0.574 55.752 56.400 -0.124 0.000 0.783 164 E CB 2.144 31.843 29.700 -0.001 0.000 1.095 164 E HN 0.650 nan 8.360 nan 0.000 0.399 165 A N 2.712 125.460 122.820 -0.120 0.000 2.354 165 A HA 0.716 5.036 4.320 -0.000 0.000 0.321 165 A C -0.796 176.821 177.584 0.054 0.000 1.125 165 A CA -0.639 51.384 52.037 -0.023 0.000 0.799 165 A CB 1.435 20.433 19.000 -0.004 0.000 1.293 165 A HN 0.383 nan 8.150 nan 0.000 0.452 166 V N 1.226 121.196 119.914 0.094 0.000 2.588 166 V HA 0.612 4.732 4.120 -0.000 0.000 0.304 166 V C -0.352 175.800 176.094 0.098 0.000 1.042 166 V CA -0.495 61.855 62.300 0.084 0.000 0.877 166 V CB 1.395 33.261 31.823 0.071 0.000 0.996 166 V HN 1.171 nan 8.190 nan 0.000 0.425 167 V N 0.393 120.355 119.914 0.079 0.000 2.680 167 V HA 0.742 4.862 4.120 -0.000 0.000 0.309 167 V C -0.873 175.251 176.094 0.049 0.000 1.052 167 V CA -0.589 61.756 62.300 0.074 0.000 0.908 167 V CB 2.092 33.961 31.823 0.076 0.000 1.001 167 V HN 0.809 nan 8.190 nan 0.000 0.431 168 D N 2.839 123.264 120.400 0.043 0.000 2.233 168 D HA 0.459 5.099 4.640 -0.000 0.000 0.240 168 D C 0.466 176.778 176.300 0.021 0.000 1.074 168 D CA -0.279 53.738 54.000 0.028 0.000 0.838 168 D CB 1.969 42.785 40.800 0.028 0.000 1.124 168 D HN 0.632 nan 8.370 nan 0.000 0.475 169 L N 2.825 124.056 121.223 0.012 0.000 2.316 169 L HA 0.044 4.383 4.340 -0.000 0.000 0.207 169 L C 2.465 179.336 176.870 0.003 0.000 1.070 169 L CA 0.067 54.911 54.840 0.006 0.000 0.820 169 L CB -0.192 41.867 42.059 -0.001 0.000 0.992 169 L HN 0.498 nan 8.230 nan 0.000 0.466 170 Q N 0.769 120.570 119.800 0.003 0.000 2.045 170 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 170 Q C 1.529 177.532 176.000 0.005 0.000 0.991 170 Q CA 1.980 57.785 55.803 0.003 0.000 0.851 170 Q CB 0.115 28.854 28.738 0.003 0.000 0.911 170 Q HN 0.463 nan 8.270 nan 0.000 0.418 171 N N 0.259 118.964 118.700 0.009 0.000 2.353 171 N HA -0.049 4.691 4.740 -0.000 0.000 0.185 171 N C -0.215 175.302 175.510 0.011 0.000 1.098 171 N CA 0.546 53.602 53.050 0.010 0.000 0.872 171 N CB 0.152 38.647 38.487 0.013 0.000 0.970 171 N HN 0.308 nan 8.380 nan 0.000 0.467 172 N N 0.911 119.618 118.700 0.012 0.000 2.740 172 N HA -0.219 4.521 4.740 -0.000 0.000 0.248 172 N C -0.664 174.857 175.510 0.019 0.000 1.062 172 N CA 0.833 53.891 53.050 0.012 0.000 0.704 172 N CB -0.972 37.519 38.487 0.006 0.000 0.968 172 N HN 0.538 nan 8.380 nan 0.000 0.547 173 K N -0.764 119.652 120.400 0.027 0.000 2.400 173 K HA 0.658 4.978 4.320 -0.000 0.000 0.246 173 K C -0.858 175.776 176.600 0.056 0.000 0.995 173 K CA -1.156 55.152 56.287 0.036 0.000 0.840 173 K CB 1.133 33.650 32.500 0.029 0.000 1.293 173 K HN 0.055 nan 8.250 nan 0.000 0.445 174 L N 3.575 124.841 121.223 0.072 0.000 2.281 174 L HA 0.285 4.625 4.340 -0.000 0.000 0.285 174 L C -0.292 176.640 176.870 0.103 0.000 1.074 174 L CA -0.056 54.851 54.840 0.112 0.000 0.817 174 L CB 0.545 42.690 42.059 0.142 0.000 1.168 174 L HN 0.881 nan 8.230 nan 0.000 0.434 175 L N 3.370 124.658 121.223 0.108 0.000 2.408 175 L HA 0.316 4.656 4.340 -0.000 0.000 0.215 175 L C 0.396 177.332 176.870 0.110 0.000 1.081 175 L CA 0.402 55.296 54.840 0.090 0.000 0.840 175 L CB -0.142 41.960 42.059 0.070 0.000 1.002 175 L HN 0.822 nan 8.230 nan 0.000 0.468 176 S N -2.395 113.397 115.700 0.153 0.000 2.595 176 S HA 0.406 4.876 4.470 -0.000 0.000 0.270 176 S C -2.118 172.653 174.600 0.285 0.000 1.145 176 S CA -0.787 57.524 58.200 0.185 0.000 0.825 176 S CB 1.967 65.244 63.200 0.127 0.000 1.107 176 S HN 0.193 nan 8.310 nan 0.000 0.461 177 W N 1.857 123.184 121.300 0.045 0.000 2.822 177 W HA 0.392 5.052 4.660 -0.000 0.000 0.317 177 W C -1.957 174.581 176.519 0.032 0.000 1.033 177 W CA -0.093 57.280 57.345 0.047 0.000 1.252 177 W CB 1.522 31.010 29.460 0.047 0.000 1.186 177 W HN 0.796 nan 8.180 nan 0.000 0.383 178 Q N 5.939 125.742 119.800 0.005 0.000 2.363 178 Q HA 0.370 4.710 4.340 -0.000 0.000 0.265 178 Q C -2.280 173.672 176.000 -0.081 0.000 1.032 178 Q CA -1.827 53.987 55.803 0.019 0.000 0.746 178 Q CB 2.470 31.223 28.738 0.025 0.000 1.237 178 Q HN 0.150 nan 8.270 nan 0.000 0.475 179 P HA 0.150 nan 4.420 nan 0.000 0.269 179 P C -0.428 176.824 177.300 -0.080 0.000 1.209 179 P CA -0.106 62.944 63.100 -0.082 0.000 0.776 179 P CB 0.738 32.419 31.700 -0.033 0.000 0.876 180 I N 2.070 122.563 120.570 -0.127 0.000 2.464 180 I HA 0.185 4.355 4.170 -0.000 0.000 0.277 180 I C 0.414 176.434 176.117 -0.160 0.000 1.040 180 I CA -1.262 59.952 61.300 -0.145 0.000 1.153 180 I CB 0.561 38.419 38.000 -0.237 0.000 1.274 180 I HN 0.344 nan 8.210 nan 0.000 0.469 181 K N 4.202 124.541 120.400 -0.102 0.000 2.326 181 K HA 0.415 4.735 4.320 -0.000 0.000 0.275 181 K C 0.071 176.610 176.600 -0.100 0.000 1.018 181 K CA -0.148 56.085 56.287 -0.089 0.000 0.962 181 K CB 0.977 33.443 32.500 -0.057 0.000 0.953 181 K HN 0.421 nan 8.250 nan 0.000 0.475 182 D N -1.223 119.107 120.400 -0.116 0.000 2.136 182 D HA -0.181 4.459 4.640 -0.000 0.000 0.181 182 D C -0.204 176.012 176.300 -0.140 0.000 1.459 182 D CA 1.989 55.927 54.000 -0.102 0.000 1.512 182 D CB -1.348 39.430 40.800 -0.038 0.000 1.370 182 D HN 0.805 nan 8.370 nan 0.000 0.544 183 A N 1.808 124.486 122.820 -0.238 0.000 2.450 183 A HA 0.354 4.674 4.320 -0.000 0.000 0.255 183 A C 0.220 177.616 177.584 -0.314 0.000 1.096 183 A CA 0.239 52.081 52.037 -0.325 0.000 0.778 183 A CB 0.141 18.615 19.000 -0.877 0.000 1.031 183 A HN 0.258 nan 8.150 nan 0.000 0.494 184 H N 1.337 120.300 119.070 -0.178 0.000 2.481 184 H HA 0.393 4.948 4.556 -0.000 0.000 0.339 184 H C 0.962 176.223 175.328 -0.111 0.000 1.131 184 H CA 0.290 56.251 56.048 -0.144 0.000 1.301 184 H CB 1.471 31.168 29.762 -0.108 0.000 1.476 184 H HN 0.836 nan 8.280 nan 0.000 0.529 185 G N 1.710 110.504 108.800 -0.009 0.000 2.539 185 G HA2 0.305 4.265 3.960 -0.000 0.000 0.258 185 G HA3 0.305 4.265 3.960 -0.000 0.000 0.258 185 G C 0.630 175.530 174.900 0.001 0.000 1.202 185 G CA -0.733 44.368 45.100 0.003 0.000 0.851 185 G HN 0.662 nan 8.290 nan 0.000 0.556 186 M N 0.674 120.275 119.600 0.002 0.000 2.219 186 M HA 0.351 4.831 4.480 -0.000 0.000 0.307 186 M C -0.173 176.067 176.300 -0.100 0.000 1.116 186 M CA -0.280 54.979 55.300 -0.069 0.000 1.181 186 M CB 0.371 32.940 32.600 -0.052 0.000 1.410 186 M HN 0.132 nan 8.290 nan 0.000 0.454 187 V N 2.734 122.533 119.914 -0.190 0.000 2.637 187 V HA 0.211 4.331 4.120 -0.000 0.000 0.296 187 V C 0.459 176.543 176.094 -0.017 0.000 1.046 187 V CA -0.189 62.012 62.300 -0.164 0.000 1.066 187 V CB 0.499 32.123 31.823 -0.331 0.000 0.968 187 V HN 0.687 nan 8.190 nan 0.000 0.483 188 L N 3.891 125.106 121.223 -0.013 0.000 2.313 188 L HA 0.439 4.779 4.340 -0.000 0.000 0.268 188 L C 1.145 178.006 176.870 -0.016 0.000 1.010 188 L CA -0.787 54.032 54.840 -0.034 0.000 0.814 188 L CB 1.563 43.536 42.059 -0.143 0.000 1.304 188 L HN 0.490 nan 8.230 nan 0.000 0.441 189 L N 0.801 121.930 121.223 -0.156 0.000 2.013 189 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 189 L C 2.145 178.977 176.870 -0.062 0.000 1.073 189 L CA 1.640 56.446 54.840 -0.055 0.000 0.753 189 L CB -0.375 41.652 42.059 -0.054 0.000 0.890 189 L HN 0.874 nan 8.230 nan 0.000 0.432 190 D N -1.046 119.081 120.400 -0.456 0.000 2.309 190 D HA -0.225 4.415 4.640 -0.000 0.000 0.212 190 D C 1.396 177.668 176.300 -0.047 0.000 0.968 190 D CA 1.052 54.936 54.000 -0.194 0.000 0.882 190 D CB -0.458 40.211 40.800 -0.217 0.000 0.918 190 D HN 0.288 nan 8.370 nan 0.000 0.503 191 D N -0.226 120.147 120.400 -0.044 0.000 2.218 191 D HA -0.106 4.534 4.640 -0.000 0.000 0.204 191 D C 1.693 177.980 176.300 -0.022 0.000 0.976 191 D CA 0.515 54.485 54.000 -0.050 0.000 0.853 191 D CB -0.478 40.260 40.800 -0.103 0.000 0.939 191 D HN 0.272 nan 8.370 nan 0.000 0.481 192 F N 1.439 121.364 119.950 -0.041 0.000 2.102 192 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 192 F C 2.509 178.288 175.800 -0.034 0.000 1.105 192 F CA 1.118 59.112 58.000 -0.010 0.000 1.239 192 F CB -0.544 38.469 39.000 0.022 0.000 0.991 192 F HN -0.074 nan 8.300 nan 0.000 0.474 193 A N -0.586 122.331 122.820 0.161 0.000 1.873 193 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 193 A C 2.353 179.946 177.584 0.015 0.000 1.186 193 A CA 1.800 53.880 52.037 0.071 0.000 0.616 193 A CB -1.131 17.908 19.000 0.065 0.000 0.823 193 A HN 0.304 nan 8.150 nan 0.000 0.442 194 S N -0.118 115.583 115.700 0.001 0.000 2.369 194 S HA -0.211 4.259 4.470 -0.000 0.000 0.225 194 S C 1.864 176.425 174.600 -0.064 0.000 1.043 194 S CA 1.694 59.874 58.200 -0.032 0.000 1.074 194 S CB -0.824 62.349 63.200 -0.045 0.000 0.962 194 S HN 0.324 nan 8.310 nan 0.000 0.433 195 V N 1.780 121.644 119.914 -0.083 0.000 2.392 195 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 195 V C 2.635 178.646 176.094 -0.138 0.000 1.059 195 V CA 2.237 64.461 62.300 -0.127 0.000 1.051 195 V CB -0.704 31.024 31.823 -0.158 0.000 0.658 195 V HN 0.454 nan 8.190 nan 0.000 0.455 196 Q N 0.138 119.882 119.800 -0.094 0.000 2.187 196 Q HA -0.094 4.246 4.340 -0.000 0.000 0.199 196 Q C 1.901 177.839 176.000 -0.103 0.000 0.957 196 Q CA 1.852 57.593 55.803 -0.104 0.000 0.857 196 Q CB -0.377 28.327 28.738 -0.057 0.000 0.929 196 Q HN 0.721 nan 8.270 nan 0.000 0.453 197 N N -0.362 118.294 118.700 -0.073 0.000 2.106 197 N HA -0.085 4.655 4.740 -0.000 0.000 0.188 197 N C 1.750 177.211 175.510 -0.082 0.000 1.029 197 N CA 1.381 54.394 53.050 -0.062 0.000 0.848 197 N CB -0.089 38.376 38.487 -0.037 0.000 1.007 197 N HN 0.275 nan 8.380 nan 0.000 0.423 198 I N 1.069 121.580 120.570 -0.098 0.000 2.151 198 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 198 I C 2.010 178.031 176.117 -0.160 0.000 1.080 198 I CA 1.126 62.359 61.300 -0.112 0.000 1.339 198 I CB -0.250 37.680 38.000 -0.116 0.000 1.039 198 I HN 0.071 nan 8.210 nan 0.000 0.409 199 I N 1.047 121.463 120.570 -0.256 0.000 2.208 199 I HA -0.313 3.857 4.170 -0.000 0.000 0.245 199 I C 2.021 178.018 176.117 -0.200 0.000 1.097 199 I CA 1.840 62.889 61.300 -0.418 0.000 1.363 199 I CB -0.765 36.797 38.000 -0.730 0.000 1.051 199 I HN 0.236 nan 8.210 nan 0.000 0.413 200 N N 0.127 118.755 118.700 -0.120 0.000 2.364 200 N HA -0.147 4.593 4.740 -0.000 0.000 0.183 200 N C 0.715 176.217 175.510 -0.013 0.000 1.022 200 N CA 0.785 53.811 53.050 -0.040 0.000 0.883 200 N CB -0.114 38.351 38.487 -0.036 0.000 0.965 200 N HN 0.363 nan 8.380 nan 0.000 0.438 201 N N -0.730 117.953 118.700 -0.028 0.000 2.204 201 N HA 0.051 4.791 4.740 -0.000 0.000 0.219 201 N C -0.936 174.575 175.510 0.001 0.000 1.151 201 N CA -0.008 53.035 53.050 -0.012 0.000 0.867 201 N CB 0.979 39.453 38.487 -0.021 0.000 1.043 201 N HN -0.086 nan 8.380 nan 0.000 0.516 202 S N -0.006 115.704 115.700 0.017 0.000 2.438 202 S HA 0.221 4.691 4.470 -0.000 0.000 0.316 202 S C 0.858 175.513 174.600 0.092 0.000 1.084 202 S CA -0.539 57.692 58.200 0.052 0.000 1.107 202 S CB 0.845 64.083 63.200 0.063 0.000 0.981 202 S HN 0.134 nan 8.310 nan 0.000 0.466 203 E N 3.163 123.396 120.200 0.056 0.000 2.152 203 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 203 E C 1.474 178.102 176.600 0.046 0.000 0.983 203 E CA 0.813 57.240 56.400 0.045 0.000 0.818 203 E CB 0.109 29.823 29.700 0.022 0.000 0.758 203 E HN 0.754 nan 8.360 nan 0.000 0.467 204 E N 0.340 120.572 120.200 0.054 0.000 2.085 204 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 204 E C 1.862 178.497 176.600 0.060 0.000 0.994 204 E CA 0.893 57.320 56.400 0.045 0.000 0.801 204 E CB -0.173 29.556 29.700 0.048 0.000 0.743 204 E HN 0.222 nan 8.360 nan 0.000 0.453 205 F N 1.405 121.338 119.950 -0.029 0.000 2.113 205 F HA -0.138 4.389 4.527 -0.000 0.000 0.297 205 F C 2.387 178.170 175.800 -0.027 0.000 1.103 205 F CA 1.368 59.349 58.000 -0.032 0.000 1.248 205 F CB -0.220 38.758 39.000 -0.037 0.000 0.999 205 F HN -0.061 nan 8.300 nan 0.000 0.475 206 A N 0.483 123.368 122.820 0.109 0.000 1.917 206 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 206 A C 2.385 179.921 177.584 -0.080 0.000 1.182 206 A CA 2.008 54.054 52.037 0.015 0.000 0.633 206 A CB -1.608 17.425 19.000 0.055 0.000 0.819 206 A HN 0.528 nan 8.150 nan 0.000 0.448 207 A N -0.025 122.756 122.820 -0.065 0.000 1.849 207 A HA 0.056 4.375 4.320 -0.000 0.000 0.217 207 A C 2.590 180.096 177.584 -0.129 0.000 1.202 207 A CA 2.728 54.721 52.037 -0.075 0.000 0.629 207 A CB -1.370 17.601 19.000 -0.048 0.000 0.834 207 A HN 1.292 nan 8.150 nan 0.000 0.447 208 A N -1.002 121.704 122.820 -0.190 0.000 1.927 208 A HA -0.092 4.228 4.320 -0.000 0.000 0.220 208 A C 2.272 179.680 177.584 -0.293 0.000 1.185 208 A CA 2.169 54.056 52.037 -0.249 0.000 0.639 208 A CB -0.986 17.818 19.000 -0.328 0.000 0.820 208 A HN 0.480 nan 8.150 nan 0.000 0.451 209 V N -0.032 119.651 119.914 -0.385 0.000 2.407 209 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 209 V C 2.515 178.516 176.094 -0.154 0.000 1.041 209 V CA 2.245 64.362 62.300 -0.305 0.000 1.040 209 V CB -0.554 31.068 31.823 -0.336 0.000 0.671 209 V HN 0.775 nan 8.190 nan 0.000 0.455 210 K N 0.591 120.918 120.400 -0.121 0.000 2.074 210 K HA -0.263 4.057 4.320 -0.000 0.000 0.209 210 K C 2.133 178.694 176.600 -0.065 0.000 1.048 210 K CA 1.867 58.111 56.287 -0.071 0.000 0.926 210 K CB -0.230 32.238 32.500 -0.053 0.000 0.713 210 K HN 0.351 nan 8.250 nan 0.000 0.444 211 K N 0.116 120.469 120.400 -0.078 0.000 2.160 211 K HA -0.159 4.160 4.320 -0.000 0.000 0.206 211 K C 1.931 178.498 176.600 -0.055 0.000 1.047 211 K CA 1.610 57.859 56.287 -0.062 0.000 0.930 211 K CB -0.072 32.386 32.500 -0.069 0.000 0.720 211 K HN 0.158 nan 8.250 nan 0.000 0.450 212 R N -0.763 119.695 120.500 -0.069 0.000 2.335 212 R HA 0.026 4.366 4.340 -0.000 0.000 0.223 212 R C 0.813 177.095 176.300 -0.030 0.000 0.940 212 R CA 0.493 56.562 56.100 -0.051 0.000 1.086 212 R CB 0.537 30.797 30.300 -0.067 0.000 1.073 212 R HN 0.429 nan 8.270 nan 0.000 0.504 213 G N 0.448 109.231 108.800 -0.029 0.000 2.179 213 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 213 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 213 G C -0.001 174.891 174.900 -0.014 0.000 0.990 213 G CA -0.536 44.555 45.100 -0.015 0.000 0.646 213 G HN 0.169 nan 8.290 nan 0.000 0.517 214 I N 2.568 123.124 120.570 -0.024 0.000 2.301 214 I HA 0.340 4.510 4.170 -0.000 0.000 0.292 214 I C 1.948 178.055 176.117 -0.018 0.000 1.046 214 I CA 0.610 61.901 61.300 -0.016 0.000 1.282 214 I CB 1.478 39.469 38.000 -0.016 0.000 1.409 214 I HN 0.298 nan 8.210 nan 0.000 0.484 215 T N 1.042 115.590 114.554 -0.010 0.000 2.701 215 T HA -0.115 4.235 4.350 -0.000 0.000 0.263 215 T C 0.862 175.559 174.700 -0.004 0.000 1.040 215 T CA 0.856 62.951 62.100 -0.008 0.000 1.147 215 T CB -0.068 68.798 68.868 -0.005 0.000 0.865 215 T HN 0.427 nan 8.240 nan 0.000 0.426 216 D N 1.180 121.581 120.400 0.000 0.000 2.467 216 D HA 0.611 5.251 4.640 -0.000 0.000 0.220 216 D C 0.881 177.191 176.300 0.016 0.000 1.103 216 D CA -0.193 53.811 54.000 0.006 0.000 0.886 216 D CB 1.038 41.841 40.800 0.004 0.000 1.025 216 D HN 0.349 nan 8.370 nan 0.000 0.514 217 A N 4.138 126.972 122.820 0.024 0.000 2.172 217 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 217 A C 1.707 179.325 177.584 0.057 0.000 1.154 217 A CA 0.839 52.908 52.037 0.054 0.000 0.701 217 A CB -0.153 18.890 19.000 0.073 0.000 0.789 217 A HN 0.532 nan 8.150 nan 0.000 0.465 218 K N -0.160 120.259 120.400 0.031 0.000 2.486 218 K HA 0.028 4.348 4.320 -0.000 0.000 0.194 218 K C 0.666 177.272 176.600 0.009 0.000 1.033 218 K CA 0.492 56.790 56.287 0.018 0.000 1.004 218 K CB 0.092 32.597 32.500 0.009 0.000 0.798 218 K HN 0.182 nan 8.250 nan 0.000 0.495 219 K N 1.227 121.636 120.400 0.015 0.000 2.417 219 K HA 0.134 4.454 4.320 -0.000 0.000 0.196 219 K C -0.080 176.527 176.600 0.012 0.000 1.023 219 K CA 0.057 56.348 56.287 0.007 0.000 1.122 219 K CB 0.583 33.088 32.500 0.008 0.000 0.850 219 K HN -0.080 nan 8.250 nan 0.000 0.521 220 V N 3.187 123.117 119.914 0.027 0.000 2.432 220 V HA 0.192 4.312 4.120 -0.000 0.000 0.275 220 V C 0.172 176.251 176.094 -0.026 0.000 1.043 220 V CA -0.519 61.810 62.300 0.049 0.000 0.925 220 V CB 1.307 33.217 31.823 0.145 0.000 0.985 220 V HN 0.056 nan 8.190 nan 0.000 0.466 221 I N 5.032 125.560 120.570 -0.069 0.000 2.336 221 I HA 0.349 4.519 4.170 -0.000 0.000 0.292 221 I C 0.646 176.677 176.117 -0.143 0.000 0.991 221 I CA -0.068 61.080 61.300 -0.253 0.000 1.227 221 I CB 1.683 39.269 38.000 -0.690 0.000 1.366 221 I HN 0.681 nan 8.210 nan 0.000 0.466 222 T N 1.662 116.120 114.554 -0.160 0.000 2.934 222 T HA 0.535 4.885 4.350 -0.000 0.000 0.283 222 T C -0.019 174.651 174.700 -0.050 0.000 1.005 222 T CA -0.649 61.399 62.100 -0.086 0.000 1.041 222 T CB 2.166 70.951 68.868 -0.137 0.000 1.042 222 T HN 0.618 nan 8.240 nan 0.000 0.505 223 T N 2.933 117.512 114.554 0.042 0.000 2.928 223 T HA 0.588 4.938 4.350 -0.000 0.000 0.296 223 T C -3.082 171.636 174.700 0.030 0.000 1.000 223 T CA -1.659 60.508 62.100 0.111 0.000 0.989 223 T CB 1.478 70.515 68.868 0.281 0.000 1.005 223 T HN 0.588 nan 8.240 nan 0.000 0.442 224 P HA 0.578 nan 4.420 nan 0.000 0.294 224 P C -1.181 176.086 177.300 -0.055 0.000 1.294 224 P CA -0.629 62.371 63.100 -0.167 0.000 0.827 224 P CB 1.140 32.599 31.700 -0.402 0.000 0.992 225 L N 1.947 123.143 121.223 -0.046 0.000 2.381 225 L HA 0.483 4.823 4.340 -0.000 0.000 0.268 225 L C 0.889 177.734 176.870 -0.041 0.000 0.997 225 L CA -0.762 54.073 54.840 -0.008 0.000 0.818 225 L CB 2.316 44.415 42.059 0.067 0.000 1.310 225 L HN 0.358 nan 8.230 nan 0.000 0.416 226 T N -1.472 113.047 114.554 -0.058 0.000 2.898 226 T HA 0.195 4.545 4.350 -0.000 0.000 0.301 226 T C 0.921 175.630 174.700 0.014 0.000 1.049 226 T CA -0.389 61.662 62.100 -0.083 0.000 1.095 226 T CB 1.422 70.215 68.868 -0.124 0.000 0.976 226 T HN 0.488 nan 8.240 nan 0.000 0.539 227 V N -1.058 118.829 119.914 -0.044 0.000 3.660 227 V HA 0.543 4.663 4.120 -0.000 0.000 0.276 227 V C 1.292 177.475 176.094 0.149 0.000 1.317 227 V CA 0.536 62.812 62.300 -0.039 0.000 1.097 227 V CB -1.575 30.132 31.823 -0.194 0.000 0.863 227 V HN 1.650 nan 8.190 nan 0.000 0.438 228 G N 0.442 109.296 108.800 0.090 0.000 2.601 228 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.252 228 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.252 228 G C -0.712 174.206 174.900 0.031 0.000 1.294 228 G CA 0.473 45.608 45.100 0.058 0.000 0.912 228 G HN 1.361 nan 8.290 nan 0.000 0.574 229 Y N -0.744 119.359 120.300 -0.328 0.000 2.421 229 Y HA 0.670 5.220 4.550 -0.000 0.000 0.339 229 Y C -0.340 175.058 175.900 -0.838 0.000 0.996 229 Y CA -1.434 56.409 58.100 -0.428 0.000 1.046 229 Y CB 1.434 39.630 38.460 -0.440 0.000 1.226 229 Y HN 0.492 nan 8.280 nan 0.000 0.445 230 F N 3.359 122.640 119.950 -1.117 0.000 2.811 230 F HA 0.222 4.749 4.527 -0.000 0.000 0.342 230 F C 0.334 175.434 175.800 -1.168 0.000 1.203 230 F CA -0.599 56.789 58.000 -1.019 0.000 1.173 230 F CB 0.434 39.255 39.000 -0.299 0.000 1.094 230 F HN 0.553 nan 8.300 nan 0.000 0.510 231 D N 1.140 120.457 120.400 -1.806 0.000 2.772 231 D HA -0.184 4.456 4.640 -0.000 0.000 0.233 231 D C 1.435 177.499 176.300 -0.393 0.000 1.143 231 D CA 1.554 54.975 54.000 -0.966 0.000 0.700 231 D CB -0.978 39.626 40.800 -0.327 0.000 1.076 231 D HN 0.750 nan 8.370 nan 0.000 0.430 232 G N -0.568 107.999 108.800 -0.388 0.000 2.225 232 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.254 232 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.254 232 G C 1.087 175.912 174.900 -0.125 0.000 0.988 232 G CA 0.744 45.737 45.100 -0.178 0.000 0.625 232 G HN 0.529 nan 8.290 nan 0.000 0.527 233 K N 0.634 120.964 120.400 -0.116 0.000 2.504 233 K HA 0.066 4.386 4.320 -0.000 0.000 0.195 233 K C 1.620 178.144 176.600 -0.125 0.000 1.036 233 K CA 1.197 57.440 56.287 -0.072 0.000 0.984 233 K CB 0.023 32.522 32.500 -0.000 0.000 0.788 233 K HN 0.621 nan 8.250 nan 0.000 0.488 234 D N -1.266 119.058 120.400 -0.126 0.000 2.369 234 D HA 0.049 4.689 4.640 -0.000 0.000 0.211 234 D C 0.919 177.160 176.300 -0.099 0.000 1.077 234 D CA 0.350 54.269 54.000 -0.135 0.000 0.842 234 D CB 0.216 40.950 40.800 -0.110 0.000 0.947 234 D HN 0.095 nan 8.370 nan 0.000 0.509 235 G N 0.682 109.427 108.800 -0.093 0.000 2.176 235 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.252 235 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.252 235 G C -0.186 174.671 174.900 -0.072 0.000 1.024 235 G CA 0.331 45.386 45.100 -0.075 0.000 0.755 235 G HN 0.407 nan 8.290 nan 0.000 0.507 236 L N 0.269 121.445 121.223 -0.079 0.000 2.322 236 L HA 0.487 4.827 4.340 -0.000 0.000 0.281 236 L C 0.909 177.748 176.870 -0.052 0.000 1.014 236 L CA -1.204 53.593 54.840 -0.071 0.000 0.815 236 L CB 1.575 43.582 42.059 -0.087 0.000 1.247 236 L HN 0.347 nan 8.230 nan 0.000 0.421 237 K N 1.319 121.700 120.400 -0.032 0.000 2.237 237 K HA 0.120 4.440 4.320 -0.000 0.000 0.270 237 K C 0.459 177.074 176.600 0.026 0.000 1.015 237 K CA -0.556 55.728 56.287 -0.005 0.000 0.949 237 K CB 1.170 33.668 32.500 -0.004 0.000 0.976 237 K HN 0.386 nan 8.250 nan 0.000 0.472 238 Q N 1.403 121.242 119.800 0.065 0.000 2.230 238 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 238 Q C 0.918 177.022 176.000 0.173 0.000 0.963 238 Q CA 2.173 58.053 55.803 0.127 0.000 0.866 238 Q CB -0.093 28.746 28.738 0.169 0.000 0.931 238 Q HN 0.931 nan 8.270 nan 0.000 0.452 239 D N -0.929 119.533 120.400 0.104 0.000 2.360 239 D HA 0.195 4.835 4.640 -0.000 0.000 0.210 239 D C -0.141 176.179 176.300 0.032 0.000 1.047 239 D CA 0.431 54.468 54.000 0.063 0.000 0.854 239 D CB 0.113 40.921 40.800 0.014 0.000 0.936 239 D HN 0.303 nan 8.370 nan 0.000 0.514 240 A N 0.499 123.350 122.820 0.052 0.000 2.322 240 A HA 0.397 4.716 4.320 -0.000 0.000 0.269 240 A C 0.219 177.834 177.584 0.052 0.000 1.094 240 A CA -0.536 51.506 52.037 0.008 0.000 0.807 240 A CB 0.403 19.394 19.000 -0.016 0.000 1.047 240 A HN 0.287 nan 8.150 nan 0.000 0.487 241 R N 1.850 122.339 120.500 -0.018 0.000 2.351 241 R HA 0.396 4.736 4.340 -0.000 0.000 0.321 241 R C -1.129 175.144 176.300 -0.046 0.000 1.182 241 R CA 0.119 56.215 56.100 -0.008 0.000 1.011 241 R CB -0.485 29.769 30.300 -0.077 0.000 1.048 241 R HN 0.659 nan 8.270 nan 0.000 0.490 242 L N 5.241 126.432 121.223 -0.053 0.000 2.330 242 L HA 0.595 4.935 4.340 -0.000 0.000 0.271 242 L C -0.431 176.361 176.870 -0.130 0.000 1.013 242 L CA -1.059 53.722 54.840 -0.098 0.000 0.816 242 L CB 1.740 43.736 42.059 -0.104 0.000 1.287 242 L HN 0.460 nan 8.230 nan 0.000 0.435 243 L N 1.570 122.703 121.223 -0.149 0.000 2.409 243 L HA 0.516 4.856 4.340 -0.000 0.000 0.262 243 L C -0.637 176.118 176.870 -0.191 0.000 0.992 243 L CA -0.815 53.925 54.840 -0.168 0.000 0.817 243 L CB 2.877 44.833 42.059 -0.171 0.000 1.350 243 L HN 0.544 nan 8.230 nan 0.000 0.411 244 K N 1.059 121.331 120.400 -0.214 0.000 2.110 244 K HA 0.673 4.993 4.320 -0.000 0.000 0.263 244 K C -1.287 175.229 176.600 -0.140 0.000 0.975 244 K CA -0.645 55.491 56.287 -0.252 0.000 0.895 244 K CB 2.276 34.459 32.500 -0.528 0.000 1.060 244 K HN 0.210 nan 8.250 nan 0.000 0.448 245 V N 4.615 124.454 119.914 -0.124 0.000 2.443 245 V HA 0.319 4.439 4.120 -0.000 0.000 0.293 245 V C -0.356 175.710 176.094 -0.045 0.000 1.021 245 V CA -0.916 61.329 62.300 -0.092 0.000 0.848 245 V CB 1.322 33.055 31.823 -0.151 0.000 0.998 245 V HN 0.618 nan 8.190 nan 0.000 0.424 246 I N 3.814 124.372 120.570 -0.020 0.000 2.577 246 I HA 0.696 4.866 4.170 -0.000 0.000 0.305 246 I C 0.477 176.565 176.117 -0.048 0.000 0.986 246 I CA 0.056 61.319 61.300 -0.062 0.000 1.189 246 I CB 2.183 40.130 38.000 -0.089 0.000 1.355 246 I HN 0.794 nan 8.210 nan 0.000 0.476 247 S N 4.131 119.729 115.700 -0.171 0.000 2.595 247 S HA 0.815 5.285 4.470 -0.000 0.000 0.281 247 S C -1.331 173.056 174.600 -0.355 0.000 1.117 247 S CA -0.790 57.354 58.200 -0.094 0.000 0.873 247 S CB 2.161 65.429 63.200 0.113 0.000 1.108 247 S HN 0.380 nan 8.310 nan 0.000 0.477 248 Y N -0.351 119.976 120.300 0.045 0.000 2.609 248 Y HA 0.695 5.245 4.550 -0.000 0.000 0.342 248 Y C -0.862 175.090 175.900 0.087 0.000 1.058 248 Y CA -1.241 56.925 58.100 0.110 0.000 1.055 248 Y CB 1.219 39.784 38.460 0.174 0.000 1.292 248 Y HN 0.676 nan 8.280 nan 0.000 0.476 249 L N 2.357 123.761 121.223 0.301 0.000 2.272 249 L HA 0.403 4.743 4.340 -0.000 0.000 0.289 249 L C -0.549 176.409 176.870 0.147 0.000 1.032 249 L CA -0.435 54.505 54.840 0.166 0.000 0.810 249 L CB 0.636 42.759 42.059 0.108 0.000 1.205 249 L HN 0.578 nan 8.230 nan 0.000 0.422 250 D N 3.518 123.965 120.400 0.079 0.000 2.344 250 D HA 0.059 4.699 4.640 -0.000 0.000 0.253 250 D C 0.752 177.039 176.300 -0.022 0.000 1.255 250 D CA 0.092 54.124 54.000 0.053 0.000 0.894 250 D CB 0.910 41.724 40.800 0.023 0.000 1.067 250 D HN 0.389 nan 8.370 nan 0.000 0.492 251 V N 1.723 121.575 119.914 -0.103 0.000 3.444 251 V HA 0.433 4.553 4.120 -0.000 0.000 0.308 251 V C 1.265 177.319 176.094 -0.066 0.000 1.371 251 V CA 0.340 62.556 62.300 -0.140 0.000 1.141 251 V CB -0.180 31.455 31.823 -0.313 0.000 1.037 251 V HN 0.662 nan 8.190 nan 0.000 0.433 252 G N 2.077 110.864 108.800 -0.021 0.000 2.143 252 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.249 252 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.249 252 G C 0.260 175.156 174.900 -0.006 0.000 0.981 252 G CA 0.531 45.627 45.100 -0.008 0.000 0.665 252 G HN 0.866 nan 8.290 nan 0.000 0.528 253 D N -0.312 120.097 120.400 0.014 0.000 2.340 253 D HA 0.376 5.016 4.640 -0.000 0.000 0.217 253 D C 1.784 178.045 176.300 -0.065 0.000 1.081 253 D CA 0.404 54.405 54.000 0.002 0.000 0.842 253 D CB -0.554 40.292 40.800 0.077 0.000 0.934 253 D HN 1.501 nan 8.370 nan 0.000 0.511 254 G N 0.890 109.667 108.800 -0.039 0.000 2.168 254 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.263 254 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.263 254 G C 0.310 175.171 174.900 -0.064 0.000 0.977 254 G CA 0.285 45.328 45.100 -0.095 0.000 0.659 254 G HN 0.555 nan 8.290 nan 0.000 0.533 255 N N 0.003 118.741 118.700 0.064 0.000 2.723 255 N HA 0.340 5.080 4.740 -0.000 0.000 0.290 255 N C 1.178 176.805 175.510 0.195 0.000 1.882 255 N CA -0.297 52.850 53.050 0.163 0.000 0.851 255 N CB -0.161 38.417 38.487 0.151 0.000 1.234 255 N HN 0.401 nan 8.380 nan 0.000 0.491 256 Y N -0.624 119.726 120.300 0.083 0.000 2.193 256 Y HA -0.123 4.427 4.550 -0.000 0.000 0.285 256 Y C 1.322 177.182 175.900 -0.065 0.000 1.166 256 Y CA 1.017 59.128 58.100 0.018 0.000 1.181 256 Y CB -0.906 37.432 38.460 -0.203 0.000 0.976 256 Y HN 0.220 nan 8.280 nan 0.000 0.520 257 W N 1.206 122.270 121.300 -0.395 0.000 2.321 257 W HA -0.202 4.458 4.660 0.000 0.000 0.285 257 W C 2.452 179.070 176.519 0.164 0.000 1.213 257 W CA 1.611 58.769 57.345 -0.311 0.000 1.205 257 W CB -0.457 28.800 29.460 -0.337 0.000 1.134 257 W HN 0.240 nan 8.180 nan 0.000 0.549 258 A N -0.957 122.007 122.820 0.240 0.000 2.238 258 A HA 0.015 4.335 4.320 -0.000 0.000 0.208 258 A C 0.262 177.706 177.584 -0.234 0.000 1.177 258 A CA 0.500 52.618 52.037 0.135 0.000 0.804 258 A CB -0.589 18.339 19.000 -0.120 0.000 0.823 258 A HN 0.351 nan 8.150 nan 0.000 0.482 259 H N 0.155 119.503 119.070 0.464 0.000 2.379 259 H HA 0.241 4.797 4.556 -0.000 0.000 0.229 259 H C -3.036 172.502 175.328 0.350 0.000 1.423 259 H CA -1.940 54.317 56.048 0.349 0.000 1.375 259 H CB 0.130 30.057 29.762 0.275 0.000 1.592 259 H HN 0.312 nan 8.280 nan 0.000 0.507 260 P HA 0.192 nan 4.420 nan 0.000 0.278 260 P C 0.341 177.653 177.300 0.020 0.000 1.238 260 P CA -0.372 62.768 63.100 0.067 0.000 0.794 260 P CB 1.748 33.520 31.700 0.119 0.000 0.955 261 I N 1.574 122.080 120.570 -0.107 0.000 2.377 261 I HA 0.201 4.371 4.170 -0.000 0.000 0.282 261 I C 0.859 176.946 176.117 -0.050 0.000 1.091 261 I CA -0.621 60.652 61.300 -0.045 0.000 1.207 261 I CB 0.370 38.340 38.000 -0.050 0.000 1.429 261 I HN 0.254 nan 8.210 nan 0.000 0.491 262 E N 5.443 125.649 120.200 0.009 0.000 2.404 262 E HA 0.101 4.451 4.350 -0.000 0.000 0.261 262 E C 0.276 176.899 176.600 0.039 0.000 1.074 262 E CA 0.448 56.879 56.400 0.052 0.000 0.917 262 E CB 0.366 30.130 29.700 0.106 0.000 0.965 262 E HN 0.430 nan 8.360 nan 0.000 0.433 263 N N 1.349 120.089 118.700 0.067 0.000 2.783 263 N HA -0.218 4.521 4.740 -0.000 0.000 0.247 263 N C -1.296 174.226 175.510 0.019 0.000 1.089 263 N CA 0.596 53.684 53.050 0.062 0.000 0.690 263 N CB -1.359 37.166 38.487 0.063 0.000 0.991 263 N HN 0.288 nan 8.380 nan 0.000 0.552 264 L N -0.445 120.777 121.223 -0.002 0.000 2.491 264 L HA 0.577 4.917 4.340 -0.000 0.000 0.267 264 L C -1.261 175.616 176.870 0.013 0.000 0.971 264 L CA -0.693 54.140 54.840 -0.012 0.000 0.857 264 L CB 2.048 44.074 42.059 -0.055 0.000 1.226 264 L HN -0.114 nan 8.230 nan 0.000 0.408 265 V N 3.894 123.821 119.914 0.022 0.000 2.588 265 V HA 0.928 5.048 4.120 -0.000 0.000 0.304 265 V C 0.002 176.107 176.094 0.017 0.000 1.042 265 V CA -0.310 61.993 62.300 0.004 0.000 0.877 265 V CB 1.678 33.477 31.823 -0.040 0.000 0.996 265 V HN 0.918 nan 8.190 nan 0.000 0.425 266 A N 4.083 126.911 122.820 0.013 0.000 2.330 266 A HA 0.868 5.188 4.320 -0.000 0.000 0.327 266 A C -0.737 176.784 177.584 -0.104 0.000 1.155 266 A CA -0.568 51.465 52.037 -0.007 0.000 0.803 266 A CB 1.513 20.518 19.000 0.010 0.000 1.208 266 A HN 0.696 nan 8.150 nan 0.000 0.477 267 V N 2.770 122.619 119.914 -0.109 0.000 2.394 267 V HA 0.419 4.539 4.120 -0.000 0.000 0.282 267 V C -0.233 175.790 176.094 -0.119 0.000 1.031 267 V CA -0.437 61.776 62.300 -0.144 0.000 0.881 267 V CB 1.297 33.033 31.823 -0.146 0.000 0.982 267 V HN 0.604 nan 8.190 nan 0.000 0.451 268 V N 3.804 123.639 119.914 -0.132 0.000 2.409 268 V HA 0.356 4.476 4.120 -0.000 0.000 0.291 268 V C -0.260 175.769 176.094 -0.108 0.000 1.020 268 V CA -0.567 61.662 62.300 -0.119 0.000 0.848 268 V CB 1.872 33.613 31.823 -0.137 0.000 0.990 268 V HN 0.891 nan 8.190 nan 0.000 0.430 269 D N 4.186 124.533 120.400 -0.089 0.000 2.339 269 D HA 0.249 4.889 4.640 -0.000 0.000 0.241 269 D C 0.792 177.043 176.300 -0.081 0.000 1.183 269 D CA -0.070 53.882 54.000 -0.080 0.000 0.859 269 D CB 1.649 42.409 40.800 -0.066 0.000 1.067 269 D HN 0.434 nan 8.370 nan 0.000 0.484 270 L N 3.141 124.312 121.223 -0.087 0.000 2.395 270 L HA -0.019 4.321 4.340 -0.000 0.000 0.218 270 L C 2.176 178.999 176.870 -0.078 0.000 1.130 270 L CA 0.472 55.261 54.840 -0.085 0.000 0.826 270 L CB 0.085 42.087 42.059 -0.094 0.000 0.941 270 L HN 0.380 nan 8.230 nan 0.000 0.451 271 E N 0.084 120.235 120.200 -0.082 0.000 2.112 271 E HA -0.160 4.190 4.350 -0.000 0.000 0.190 271 E C 1.935 178.500 176.600 -0.058 0.000 0.979 271 E CA 0.902 57.255 56.400 -0.078 0.000 0.814 271 E CB 0.074 29.718 29.700 -0.095 0.000 0.762 271 E HN 0.590 nan 8.360 nan 0.000 0.460 272 Q N 0.316 120.083 119.800 -0.055 0.000 2.432 272 Q HA 0.034 4.374 4.340 -0.000 0.000 0.205 272 Q C -0.066 175.907 176.000 -0.044 0.000 0.945 272 Q CA 0.049 55.825 55.803 -0.044 0.000 0.924 272 Q CB 0.136 28.850 28.738 -0.041 0.000 1.016 272 Q HN 0.080 nan 8.270 nan 0.000 0.503 273 K N 1.230 121.598 120.400 -0.052 0.000 3.077 273 K HA -0.229 4.091 4.320 -0.000 0.000 0.264 273 K C -0.867 175.701 176.600 -0.053 0.000 1.008 273 K CA 0.947 57.202 56.287 -0.053 0.000 0.740 273 K CB -1.541 30.934 32.500 -0.042 0.000 1.273 273 K HN 0.295 nan 8.250 nan 0.000 0.477 274 K N -0.828 119.538 120.400 -0.057 0.000 2.512 274 K HA 0.534 4.854 4.320 -0.000 0.000 0.263 274 K C -0.320 176.243 176.600 -0.063 0.000 0.966 274 K CA -1.142 55.113 56.287 -0.054 0.000 0.851 274 K CB 1.478 33.954 32.500 -0.039 0.000 1.395 274 K HN -0.015 nan 8.250 nan 0.000 0.440 275 I N 2.400 122.934 120.570 -0.059 0.000 2.648 275 I HA -0.058 4.112 4.170 -0.000 0.000 0.284 275 I C 0.976 177.068 176.117 -0.042 0.000 1.153 275 I CA -0.272 60.995 61.300 -0.055 0.000 1.426 275 I CB 1.086 39.068 38.000 -0.030 0.000 1.381 275 I HN 0.657 nan 8.210 nan 0.000 0.571 276 V N 2.102 121.986 119.914 -0.049 0.000 3.432 276 V HA 0.405 4.525 4.120 -0.000 0.000 0.298 276 V C 0.135 176.204 176.094 -0.042 0.000 1.464 276 V CA -0.025 62.248 62.300 -0.044 0.000 1.046 276 V CB -0.137 31.656 31.823 -0.051 0.000 0.887 276 V HN 0.848 nan 8.190 nan 0.000 0.441 277 K N 0.517 120.893 120.400 -0.040 0.000 2.600 277 K HA 0.572 4.892 4.320 -0.000 0.000 0.262 277 K C -2.218 174.369 176.600 -0.022 0.000 0.935 277 K CA -0.621 55.644 56.287 -0.037 0.000 0.866 277 K CB 2.524 34.989 32.500 -0.057 0.000 1.354 277 K HN 0.253 nan 8.250 nan 0.000 0.419 278 I N 3.236 123.801 120.570 -0.008 0.000 2.418 278 I HA 0.276 4.446 4.170 -0.000 0.000 0.287 278 I C -0.640 175.471 176.117 -0.010 0.000 1.008 278 I CA -0.689 60.617 61.300 0.010 0.000 1.104 278 I CB 2.046 40.065 38.000 0.032 0.000 1.264 278 I HN 0.507 nan 8.210 nan 0.000 0.438 279 E N 6.561 126.755 120.200 -0.011 0.000 2.151 279 E HA 0.436 4.786 4.350 -0.000 0.000 0.275 279 E C -1.126 175.473 176.600 -0.002 0.000 0.936 279 E CA -0.641 55.754 56.400 -0.008 0.000 0.777 279 E CB 1.737 31.435 29.700 -0.004 0.000 1.108 279 E HN 0.498 nan 8.360 nan 0.000 0.401 280 E N 1.566 121.763 120.200 -0.006 0.000 2.272 280 E HA 0.577 4.927 4.350 -0.000 0.000 0.269 280 E C -0.395 176.206 176.600 0.002 0.000 0.877 280 E CA -0.918 55.475 56.400 -0.011 0.000 0.755 280 E CB 2.252 31.933 29.700 -0.031 0.000 1.192 280 E HN 0.525 nan 8.360 nan 0.000 0.422 281 G N 1.790 110.597 108.800 0.012 0.000 3.211 281 G HA2 0.561 4.521 3.960 -0.000 0.000 0.262 281 G HA3 0.561 4.521 3.960 -0.000 0.000 0.262 281 G C -2.661 172.249 174.900 0.016 0.000 1.352 281 G CA -1.552 43.562 45.100 0.023 0.000 1.004 281 G HN 0.246 nan 8.290 nan 0.000 0.559 282 P HA 0.141 nan 4.420 nan 0.000 0.264 282 P C -0.070 177.239 177.300 0.015 0.000 1.179 282 P CA -0.237 62.873 63.100 0.017 0.000 0.763 282 P CB 0.599 32.313 31.700 0.025 0.000 0.806 283 V N 4.485 124.403 119.914 0.005 0.000 2.479 283 V HA 0.066 4.186 4.120 -0.000 0.000 0.281 283 V C 0.431 176.533 176.094 0.012 0.000 1.031 283 V CA 0.276 62.577 62.300 0.002 0.000 1.038 283 V CB 0.760 32.579 31.823 -0.007 0.000 0.981 283 V HN 0.210 nan 8.190 nan 0.000 0.478 284 V N 7.543 127.469 119.914 0.019 0.000 2.487 284 V HA 0.390 4.509 4.120 -0.000 0.000 0.298 284 V C -2.285 173.827 176.094 0.030 0.000 1.028 284 V CA -1.953 60.364 62.300 0.029 0.000 0.860 284 V CB 1.829 33.678 31.823 0.042 0.000 0.991 284 V HN 0.744 nan 8.190 nan 0.000 0.427 285 P HA 0.149 nan 4.420 nan 0.000 0.268 285 P C -0.458 176.877 177.300 0.059 0.000 1.205 285 P CA -0.108 63.015 63.100 0.037 0.000 0.771 285 P CB 0.496 32.217 31.700 0.035 0.000 0.858 286 V N 6.141 126.095 119.914 0.066 0.000 2.470 286 V HA 0.134 4.254 4.120 -0.000 0.000 0.276 286 V C -1.849 174.330 176.094 0.141 0.000 1.040 286 V CA -1.279 61.084 62.300 0.104 0.000 1.008 286 V CB 0.174 32.056 31.823 0.097 0.000 0.990 286 V HN 0.577 nan 8.190 nan 0.000 0.477 287 P HA 0.238 nan 4.420 nan 0.000 0.268 287 P C 0.384 177.887 177.300 0.340 0.000 1.204 287 P CA 0.062 63.298 63.100 0.227 0.000 0.768 287 P CB 0.496 32.328 31.700 0.221 0.000 0.842 288 M N -0.788 118.968 119.600 0.261 0.000 2.296 288 M HA 0.074 4.554 4.480 -0.000 0.000 0.291 288 M C 0.167 176.577 176.300 0.183 0.000 1.013 288 M CA 0.381 55.785 55.300 0.173 0.000 1.089 288 M CB -0.337 32.310 32.600 0.079 0.000 1.677 288 M HN 0.174 nan 8.290 nan 0.000 0.584 289 T N 2.995 117.693 114.554 0.240 0.000 2.871 289 T HA 0.259 4.609 4.350 -0.000 0.000 0.296 289 T C 0.526 175.411 174.700 0.307 0.000 0.998 289 T CA -0.081 62.151 62.100 0.222 0.000 1.162 289 T CB 0.580 69.582 68.868 0.224 0.000 0.947 289 T HN 0.345 nan 8.240 nan 0.000 0.536 290 A N 4.431 127.371 122.820 0.200 0.000 2.546 290 A HA 0.283 4.603 4.320 -0.000 0.000 0.243 290 A C 0.806 178.500 177.584 0.183 0.000 1.063 290 A CA -0.027 52.124 52.037 0.191 0.000 0.757 290 A CB 0.152 19.205 19.000 0.089 0.000 0.991 290 A HN 0.692 nan 8.150 nan 0.000 0.503 291 R N 2.656 123.264 120.500 0.179 0.000 2.674 291 R HA 0.255 4.595 4.340 -0.000 0.000 0.270 291 R C -3.058 173.219 176.300 -0.038 0.000 1.492 291 R CA -1.554 54.580 56.100 0.057 0.000 1.624 291 R CB 0.840 31.175 30.300 0.059 0.000 1.307 291 R HN 0.525 nan 8.270 nan 0.000 0.683 292 P HA 0.080 nan 4.420 nan 0.000 0.272 292 P C 0.245 177.422 177.300 -0.204 0.000 1.223 292 P CA -0.093 62.881 63.100 -0.210 0.000 0.784 292 P CB 0.302 31.896 31.700 -0.177 0.000 0.923 293 F N -0.437 119.441 119.950 -0.119 0.000 2.706 293 F HA 0.259 4.786 4.527 -0.000 0.000 0.313 293 F C 0.924 176.665 175.800 -0.098 0.000 1.096 293 F CA -0.381 57.532 58.000 -0.144 0.000 1.219 293 F CB -0.757 38.124 39.000 -0.198 0.000 1.051 293 F HN 0.101 nan 8.300 nan 0.000 0.568 294 D N 0.086 120.275 120.400 -0.352 0.000 2.340 294 D HA 0.215 4.855 4.640 -0.000 0.000 0.220 294 D C 1.874 178.124 176.300 -0.083 0.000 1.039 294 D CA 0.584 54.485 54.000 -0.165 0.000 0.866 294 D CB -0.018 40.604 40.800 -0.297 0.000 0.913 294 D HN 0.466 nan 8.370 nan 0.000 0.523 295 G N 1.700 110.456 108.800 -0.073 0.000 2.176 295 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.253 295 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.253 295 G C 1.235 176.107 174.900 -0.047 0.000 0.979 295 G CA 0.453 45.528 45.100 -0.042 0.000 0.641 295 G HN 0.584 nan 8.290 nan 0.000 0.530 296 R N 0.628 121.086 120.500 -0.070 0.000 2.127 296 R HA -0.052 4.288 4.340 -0.000 0.000 0.238 296 R C 1.482 177.760 176.300 -0.038 0.000 1.134 296 R CA 1.994 58.060 56.100 -0.056 0.000 0.975 296 R CB -0.472 29.784 30.300 -0.073 0.000 0.865 296 R HN 0.425 nan 8.270 nan 0.000 0.447 297 D N -0.024 120.354 120.400 -0.037 0.000 2.358 297 D HA 0.089 4.729 4.640 -0.000 0.000 0.224 297 D C -0.085 176.207 176.300 -0.013 0.000 1.123 297 D CA -0.207 53.780 54.000 -0.021 0.000 0.833 297 D CB 0.212 41.002 40.800 -0.016 0.000 0.946 297 D HN 0.074 nan 8.370 nan 0.000 0.505 298 R N -0.329 120.162 120.500 -0.015 0.000 2.867 298 R HA 0.673 5.013 4.340 -0.000 0.000 0.268 298 R C -1.103 175.193 176.300 -0.006 0.000 1.014 298 R CA -0.981 55.114 56.100 -0.008 0.000 0.946 298 R CB 2.369 32.664 30.300 -0.009 0.000 1.208 298 R HN -0.124 nan 8.270 nan 0.000 0.477 299 V N 0.713 120.625 119.914 -0.002 0.000 2.531 299 V HA 0.556 4.676 4.120 -0.000 0.000 0.301 299 V C 0.081 176.176 176.094 0.001 0.000 1.034 299 V CA -1.125 61.175 62.300 -0.001 0.000 0.865 299 V CB 1.647 33.471 31.823 0.002 0.000 0.995 299 V HN 0.932 nan 8.190 nan 0.000 0.424 300 A N 5.802 128.622 122.820 0.001 0.000 2.322 300 A HA 0.844 5.164 4.320 -0.000 0.000 0.269 300 A C -2.150 175.436 177.584 0.003 0.000 1.094 300 A CA -1.070 50.968 52.037 0.002 0.000 0.807 300 A CB -0.198 18.803 19.000 0.001 0.000 1.047 300 A HN 0.744 nan 8.150 nan 0.000 0.487 301 P HA 0.455 nan 4.420 nan 0.000 0.274 301 P C -0.374 176.929 177.300 0.004 0.000 1.231 301 P CA -0.181 62.922 63.100 0.004 0.000 0.790 301 P CB 0.759 32.462 31.700 0.004 0.000 0.951 302 A N 1.923 124.745 122.820 0.004 0.000 2.440 302 A HA 0.443 4.763 4.320 -0.000 0.000 0.251 302 A C -0.091 177.495 177.584 0.003 0.000 1.089 302 A CA -0.076 51.963 52.037 0.004 0.000 0.779 302 A CB -0.048 18.954 19.000 0.004 0.000 1.022 302 A HN 0.383 nan 8.150 nan 0.000 0.492 303 V N 2.798 122.714 119.914 0.003 0.000 2.864 303 V HA 0.332 4.452 4.120 -0.000 0.000 0.314 303 V C 0.187 176.282 176.094 0.002 0.000 1.073 303 V CA -0.914 61.388 62.300 0.002 0.000 0.956 303 V CB 2.153 33.978 31.823 0.002 0.000 1.023 303 V HN 0.977 nan 8.190 nan 0.000 0.435 304 K N 3.098 123.498 120.400 0.001 0.000 2.154 304 K HA 0.417 4.737 4.320 -0.000 0.000 0.264 304 K C -2.276 174.325 176.600 0.002 0.000 1.008 304 K CA -1.249 55.039 56.287 0.001 0.000 0.937 304 K CB 0.578 33.076 32.500 -0.003 0.000 1.002 304 K HN 0.502 nan 8.250 nan 0.000 0.469 305 P HA 0.052 nan 4.420 nan 0.000 0.271 305 P C -1.025 176.279 177.300 0.006 0.000 1.216 305 P CA -0.045 63.060 63.100 0.008 0.000 0.776 305 P CB 0.724 32.432 31.700 0.013 0.000 0.881 306 M N 2.063 121.667 119.600 0.007 0.000 2.393 306 M HA 0.331 4.811 4.480 -0.000 0.000 0.299 306 M C -1.453 174.855 176.300 0.013 0.000 1.103 306 M CA -0.419 54.884 55.300 0.006 0.000 0.910 306 M CB 2.435 35.034 32.600 -0.001 0.000 1.659 306 M HN 0.331 nan 8.290 nan 0.000 0.445 307 Q N 4.145 123.957 119.800 0.020 0.000 2.331 307 Q HA 0.579 4.919 4.340 -0.000 0.000 0.272 307 Q C -1.545 174.475 176.000 0.033 0.000 1.062 307 Q CA -0.659 55.166 55.803 0.036 0.000 0.806 307 Q CB 3.223 31.997 28.738 0.060 0.000 1.312 307 Q HN 0.745 nan 8.270 nan 0.000 0.431 308 I N 4.619 125.212 120.570 0.038 0.000 2.328 308 I HA 0.398 4.568 4.170 -0.000 0.000 0.287 308 I C -0.117 176.040 176.117 0.067 0.000 1.012 308 I CA -0.562 60.763 61.300 0.041 0.000 1.195 308 I CB 0.547 38.567 38.000 0.034 0.000 1.350 308 I HN 0.466 nan 8.210 nan 0.000 0.464 309 I N 2.366 122.966 120.570 0.050 0.000 2.603 309 I HA 0.600 4.770 4.170 -0.000 0.000 0.300 309 I C -0.680 175.414 176.117 -0.038 0.000 1.017 309 I CA -0.568 60.760 61.300 0.047 0.000 1.098 309 I CB 2.127 40.171 38.000 0.073 0.000 1.279 309 I HN 0.494 nan 8.210 nan 0.000 0.437 310 E N 5.515 125.674 120.200 -0.069 0.000 2.795 310 E HA 0.276 4.626 4.350 -0.000 0.000 0.226 310 E C -2.099 174.346 176.600 -0.258 0.000 1.088 310 E CA -1.534 54.802 56.400 -0.106 0.000 0.812 310 E CB 1.298 30.993 29.700 -0.008 0.000 1.328 310 E HN 0.559 nan 8.360 nan 0.000 0.410 311 P HA -0.060 nan 4.420 nan 0.000 0.236 311 P C 0.313 177.447 177.300 -0.276 0.000 1.177 311 P CA 0.728 63.322 63.100 -0.842 0.000 0.773 311 P CB 0.395 31.553 31.700 -0.904 0.000 0.878 312 E N -0.267 119.841 120.200 -0.154 0.000 2.465 312 E HA 0.373 4.723 4.350 -0.000 0.000 0.195 312 E C 0.769 177.348 176.600 -0.035 0.000 1.028 312 E CA -0.089 56.274 56.400 -0.061 0.000 0.899 312 E CB 0.190 29.860 29.700 -0.051 0.000 1.032 312 E HN 0.167 nan 8.360 nan 0.000 0.468 313 G N 1.325 110.106 108.800 -0.031 0.000 2.549 313 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.404 313 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.404 313 G C -0.982 173.867 174.900 -0.084 0.000 1.292 313 G CA -1.026 44.059 45.100 -0.026 0.000 0.935 313 G HN -0.060 nan 8.290 nan 0.000 0.512 314 K N 0.081 120.371 120.400 -0.183 0.000 2.087 314 K HA 0.406 4.726 4.320 -0.000 0.000 0.255 314 K C 1.121 177.567 176.600 -0.256 0.000 0.988 314 K CA -0.654 55.406 56.287 -0.377 0.000 0.915 314 K CB 0.658 32.550 32.500 -1.014 0.000 1.043 314 K HN 0.557 nan 8.250 nan 0.000 0.457 315 N N -0.034 118.589 118.700 -0.128 0.000 2.461 315 N HA -0.019 4.721 4.740 -0.000 0.000 0.188 315 N C -0.470 175.161 175.510 0.202 0.000 1.134 315 N CA 0.231 53.325 53.050 0.073 0.000 0.878 315 N CB -0.102 38.509 38.487 0.207 0.000 0.972 315 N HN 0.493 nan 8.380 nan 0.000 0.456 316 Y N -2.174 118.267 120.300 0.236 0.000 2.567 316 Y HA 0.740 5.290 4.550 -0.000 0.000 0.333 316 Y C -0.161 175.763 175.900 0.039 0.000 1.106 316 Y CA -1.236 56.971 58.100 0.179 0.000 1.157 316 Y CB 0.861 39.387 38.460 0.111 0.000 1.277 316 Y HN -0.353 nan 8.280 nan 0.000 0.490 317 T N 2.702 117.384 114.554 0.213 0.000 2.886 317 T HA 0.559 4.909 4.350 -0.000 0.000 0.292 317 T C -0.891 173.790 174.700 -0.032 0.000 1.012 317 T CA -0.534 61.597 62.100 0.051 0.000 0.982 317 T CB 0.965 69.882 68.868 0.081 0.000 1.018 317 T HN 0.560 nan 8.240 nan 0.000 0.451 318 I N 2.678 123.124 120.570 -0.207 0.000 2.362 318 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 318 I C 0.030 176.077 176.117 -0.117 0.000 0.994 318 I CA -0.446 60.699 61.300 -0.260 0.000 1.158 318 I CB 1.683 39.365 38.000 -0.529 0.000 1.315 318 I HN 0.499 nan 8.210 nan 0.000 0.451 319 T N 5.243 119.771 114.554 -0.043 0.000 2.842 319 T HA 0.491 4.841 4.350 -0.000 0.000 0.308 319 T C 0.780 175.510 174.700 0.051 0.000 1.041 319 T CA 0.125 62.244 62.100 0.032 0.000 0.964 319 T CB 1.333 70.223 68.868 0.036 0.000 0.972 319 T HN 1.029 nan 8.240 nan 0.000 0.460 320 G N 4.076 112.930 108.800 0.090 0.000 2.672 320 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.332 320 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.332 320 G C 0.375 175.284 174.900 0.015 0.000 1.213 320 G CA 0.677 45.822 45.100 0.075 0.000 0.980 320 G HN 0.659 nan 8.290 nan 0.000 0.548 321 D N 1.206 121.574 120.400 -0.053 0.000 2.402 321 D HA 0.275 4.915 4.640 -0.000 0.000 0.216 321 D C 0.935 177.025 176.300 -0.350 0.000 1.128 321 D CA 0.116 53.971 54.000 -0.242 0.000 0.833 321 D CB 0.222 40.783 40.800 -0.398 0.000 0.971 321 D HN 0.341 nan 8.370 nan 0.000 0.503 322 M N 0.902 120.393 119.600 -0.182 0.000 2.264 322 M HA 0.380 4.860 4.480 -0.000 0.000 0.352 322 M C -0.239 175.880 176.300 -0.302 0.000 1.173 322 M CA -0.279 54.897 55.300 -0.206 0.000 1.075 322 M CB 2.128 34.722 32.600 -0.010 0.000 1.621 322 M HN -0.293 nan 8.290 nan 0.000 0.457 323 I N 2.483 122.712 120.570 -0.567 0.000 2.433 323 I HA 0.310 4.480 4.170 -0.000 0.000 0.292 323 I C -0.338 175.552 176.117 -0.377 0.000 1.001 323 I CA -0.580 60.360 61.300 -0.600 0.000 1.119 323 I CB 1.320 38.687 38.000 -1.055 0.000 1.289 323 I HN 0.597 nan 8.210 nan 0.000 0.438 324 H N 6.053 125.025 119.070 -0.164 0.000 2.505 324 H HA 0.297 4.853 4.556 -0.000 0.000 0.338 324 H C -2.141 173.299 175.328 0.187 0.000 1.057 324 H CA -0.617 55.431 56.048 0.000 0.000 1.202 324 H CB 1.733 31.498 29.762 0.006 0.000 1.466 324 H HN 0.748 nan 8.280 nan 0.000 0.499 325 W N 9.003 129.947 121.300 -0.594 0.000 3.089 325 W HA 0.293 4.953 4.660 -0.000 0.000 0.333 325 W C -0.533 175.842 176.519 -0.239 0.000 1.053 325 W CA -0.475 56.713 57.345 -0.262 0.000 1.257 325 W CB 0.405 29.859 29.460 -0.010 0.000 1.281 325 W HN 0.879 nan 8.180 nan 0.000 0.427 326 R N 2.526 122.604 120.500 -0.703 0.000 3.934 326 R HA -0.369 3.971 4.340 -0.000 0.000 0.384 326 R C 0.624 176.636 176.300 -0.480 0.000 0.241 326 R CA 2.047 57.760 56.100 -0.646 0.000 1.241 326 R CB -1.330 28.391 30.300 -0.965 0.000 0.999 326 R HN 0.770 nan 8.270 nan 0.000 0.562 327 N N -0.164 118.205 118.700 -0.552 0.000 2.398 327 N HA 0.067 4.807 4.740 -0.000 0.000 0.188 327 N C -0.150 174.980 175.510 -0.634 0.000 1.122 327 N CA -0.011 52.618 53.050 -0.701 0.000 0.866 327 N CB 0.118 37.842 38.487 -1.271 0.000 0.970 327 N HN 0.209 nan 8.380 nan 0.000 0.462 328 W N 1.388 122.552 121.300 -0.228 0.000 2.449 328 W HA 0.378 5.038 4.660 -0.000 0.000 0.331 328 W C -0.162 176.381 176.519 0.040 0.000 1.119 328 W CA -0.620 56.740 57.345 0.024 0.000 1.240 328 W CB 1.000 30.587 29.460 0.210 0.000 1.251 328 W HN -0.174 nan 8.180 nan 0.000 0.576 329 D N 2.418 123.094 120.400 0.460 0.000 2.819 329 D HA 0.506 5.146 4.640 -0.000 0.000 0.232 329 D C -1.003 175.526 176.300 0.381 0.000 1.160 329 D CA -0.357 53.819 54.000 0.293 0.000 0.858 329 D CB 2.470 43.438 40.800 0.280 0.000 1.610 329 D HN 0.254 nan 8.370 nan 0.000 0.481 330 F N -1.411 118.570 119.950 0.052 0.000 2.773 330 F HA 0.387 4.914 4.527 -0.000 0.000 0.314 330 F C -1.487 174.278 175.800 -0.058 0.000 1.160 330 F CA -1.032 56.971 58.000 0.005 0.000 0.920 330 F CB 1.683 40.632 39.000 -0.086 0.000 1.323 330 F HN 0.216 nan 8.300 nan 0.000 0.457 331 H N 1.721 120.751 119.070 -0.066 0.000 2.469 331 H HA 0.703 5.259 4.556 -0.000 0.000 0.342 331 H C -2.013 173.230 175.328 -0.142 0.000 1.115 331 H CA -0.793 55.077 56.048 -0.297 0.000 1.204 331 H CB 2.188 31.573 29.762 -0.629 0.000 1.492 331 H HN 0.798 nan 8.280 nan 0.000 0.499 332 L N 4.664 125.475 121.223 -0.687 0.000 2.343 332 L HA 0.338 4.678 4.340 -0.000 0.000 0.278 332 L C -0.913 175.610 176.870 -0.578 0.000 0.996 332 L CA -0.191 54.396 54.840 -0.421 0.000 0.831 332 L CB 1.279 43.192 42.059 -0.244 0.000 1.232 332 L HN 0.707 nan 8.230 nan 0.000 0.413 333 S N 4.081 119.552 115.700 -0.382 0.000 2.661 333 S HA 0.879 5.349 4.470 -0.000 0.000 0.285 333 S C -0.768 173.689 174.600 -0.240 0.000 1.138 333 S CA -0.893 57.148 58.200 -0.264 0.000 0.855 333 S CB 1.847 64.993 63.200 -0.090 0.000 1.136 333 S HN 0.634 nan 8.310 nan 0.000 0.484 334 M N 2.484 121.972 119.600 -0.187 0.000 2.393 334 M HA 0.509 4.989 4.480 -0.000 0.000 0.316 334 M C -1.272 174.938 176.300 -0.150 0.000 1.087 334 M CA -0.406 54.768 55.300 -0.211 0.000 0.937 334 M CB 1.830 34.330 32.600 -0.166 0.000 1.668 334 M HN 0.888 nan 8.290 nan 0.000 0.438 335 N N 1.367 119.963 118.700 -0.172 0.000 2.269 335 N HA 0.312 5.052 4.740 -0.000 0.000 0.304 335 N C 0.080 175.553 175.510 -0.062 0.000 1.072 335 N CA 0.096 53.088 53.050 -0.096 0.000 0.802 335 N CB 1.804 40.238 38.487 -0.088 0.000 1.348 335 N HN 0.876 nan 8.380 nan 0.000 0.484 336 S N 2.968 118.665 115.700 -0.004 0.000 2.447 336 S HA -0.100 4.370 4.470 -0.000 0.000 0.233 336 S C 1.715 176.348 174.600 0.055 0.000 1.006 336 S CA 0.586 58.811 58.200 0.042 0.000 0.957 336 S CB 0.024 63.262 63.200 0.064 0.000 0.773 336 S HN 0.718 nan 8.310 nan 0.000 0.507 337 R N 0.992 121.501 120.500 0.015 0.000 2.064 337 R HA 0.092 4.432 4.340 -0.000 0.000 0.221 337 R C 1.956 178.266 176.300 0.017 0.000 1.136 337 R CA 1.502 57.595 56.100 -0.011 0.000 0.980 337 R CB -0.064 30.155 30.300 -0.136 0.000 0.876 337 R HN 0.464 nan 8.270 nan 0.000 0.437 338 V N -2.106 117.801 119.914 -0.012 0.000 3.578 338 V HA 0.474 4.594 4.120 -0.000 0.000 0.290 338 V C 0.721 176.630 176.094 -0.309 0.000 1.376 338 V CA 0.259 62.531 62.300 -0.048 0.000 1.083 338 V CB -0.070 31.764 31.823 0.017 0.000 0.911 338 V HN 0.615 nan 8.190 nan 0.000 0.433 339 G N 1.527 110.078 108.800 -0.416 0.000 2.512 339 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.240 339 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.240 339 G C -2.562 171.841 174.900 -0.829 0.000 1.246 339 G CA -0.142 44.336 45.100 -1.037 0.000 0.919 339 G HN 0.621 nan 8.290 nan 0.000 0.577 340 P HA 0.418 nan 4.420 nan 0.000 0.271 340 P C -0.400 176.563 177.300 -0.562 0.000 1.218 340 P CA 0.348 63.055 63.100 -0.656 0.000 0.780 340 P CB 0.631 31.963 31.700 -0.613 0.000 0.901 341 M N 2.771 122.088 119.600 -0.471 0.000 2.327 341 M HA 0.421 4.901 4.480 -0.000 0.000 0.298 341 M C -0.470 175.564 176.300 -0.443 0.000 1.065 341 M CA -0.865 54.164 55.300 -0.451 0.000 0.916 341 M CB 2.262 34.684 32.600 -0.298 0.000 1.630 341 M HN 0.110 nan 8.290 nan 0.000 0.442 342 I N 2.337 122.575 120.570 -0.554 0.000 2.321 342 I HA 0.491 4.661 4.170 -0.000 0.000 0.291 342 I C -0.158 175.802 176.117 -0.262 0.000 0.998 342 I CA -0.093 60.972 61.300 -0.392 0.000 1.227 342 I CB 1.246 38.908 38.000 -0.563 0.000 1.368 342 I HN 0.654 nan 8.210 nan 0.000 0.466 343 S N 2.820 118.439 115.700 -0.135 0.000 2.599 343 S HA 0.475 4.945 4.470 -0.000 0.000 0.287 343 S C -0.054 174.444 174.600 -0.170 0.000 1.105 343 S CA -0.649 57.392 58.200 -0.266 0.000 0.899 343 S CB 1.911 64.908 63.200 -0.339 0.000 1.100 343 S HN 0.820 nan 8.310 nan 0.000 0.482 344 T N -1.518 112.784 114.554 -0.421 0.000 3.549 344 T HA -0.157 4.193 4.350 -0.000 0.000 0.398 344 T C -0.121 174.698 174.700 0.198 0.000 0.766 344 T CA 0.063 61.944 62.100 -0.365 0.000 2.007 344 T CB -2.465 66.267 68.868 -0.227 0.000 1.727 344 T HN 0.482 nan 8.240 nan 0.000 0.693 345 V N 2.716 122.827 119.914 0.328 0.000 2.432 345 V HA 0.691 4.811 4.120 -0.000 0.000 0.271 345 V C 1.101 177.584 176.094 0.648 0.000 1.046 345 V CA 0.221 62.824 62.300 0.504 0.000 0.945 345 V CB 1.186 33.251 31.823 0.403 0.000 0.992 345 V HN 1.051 nan 8.190 nan 0.000 0.471 346 T N 2.100 117.036 114.554 0.635 0.000 2.906 346 T HA 0.630 4.980 4.350 -0.000 0.000 0.295 346 T C -1.229 173.765 174.700 0.489 0.000 1.075 346 T CA -0.741 61.681 62.100 0.536 0.000 1.005 346 T CB 1.820 70.941 68.868 0.421 0.000 1.136 346 T HN 0.393 nan 8.240 nan 0.000 0.498 347 Y N 1.653 122.078 120.300 0.209 0.000 2.335 347 Y HA 0.496 5.046 4.550 -0.000 0.000 0.338 347 Y C 0.069 176.017 175.900 0.080 0.000 0.977 347 Y CA -1.053 57.033 58.100 -0.024 0.000 1.114 347 Y CB 1.526 39.903 38.460 -0.140 0.000 1.182 347 Y HN 0.921 nan 8.280 nan 0.000 0.463 348 N N 4.592 123.184 118.700 -0.179 0.000 2.439 348 N HA 0.028 4.768 4.740 -0.000 0.000 0.243 348 N C -1.418 174.149 175.510 0.095 0.000 1.088 348 N CA -0.324 52.716 53.050 -0.017 0.000 0.940 348 N CB 0.155 38.593 38.487 -0.082 0.000 1.180 348 N HN 0.550 nan 8.380 nan 0.000 0.505 349 D N 3.175 123.745 120.400 0.284 0.000 2.411 349 D HA 0.117 4.757 4.640 -0.000 0.000 0.225 349 D C -0.398 175.994 176.300 0.154 0.000 1.156 349 D CA -0.109 54.090 54.000 0.332 0.000 0.874 349 D CB -0.276 40.731 40.800 0.345 0.000 1.034 349 D HN 0.620 nan 8.370 nan 0.000 0.502 350 N N 2.985 121.749 118.700 0.107 0.000 2.698 350 N HA -0.271 4.469 4.740 -0.000 0.000 0.258 350 N C 0.978 176.508 175.510 0.034 0.000 0.978 350 N CA 1.142 54.224 53.050 0.052 0.000 0.777 350 N CB -0.629 37.887 38.487 0.048 0.000 0.907 350 N HN 0.744 nan 8.380 nan 0.000 0.543 351 G N -2.516 106.301 108.800 0.029 0.000 2.313 351 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.215 351 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.215 351 G C 0.163 175.078 174.900 0.025 0.000 1.023 351 G CA 0.164 45.275 45.100 0.018 0.000 0.626 351 G HN 0.430 nan 8.290 nan 0.000 0.503 352 T N 2.694 117.272 114.554 0.040 0.000 2.758 352 T HA 0.534 4.884 4.350 -0.000 0.000 0.285 352 T C -0.001 174.741 174.700 0.070 0.000 0.981 352 T CA -0.411 61.711 62.100 0.037 0.000 0.965 352 T CB 1.628 70.508 68.868 0.020 0.000 0.927 352 T HN 0.311 nan 8.240 nan 0.000 0.448 353 K N 3.595 124.036 120.400 0.068 0.000 2.349 353 K HA 0.287 4.607 4.320 -0.000 0.000 0.288 353 K C 0.206 176.865 176.600 0.098 0.000 1.058 353 K CA -0.119 56.233 56.287 0.109 0.000 0.953 353 K CB 0.806 33.378 32.500 0.119 0.000 0.997 353 K HN 0.371 nan 8.250 nan 0.000 0.477 354 R N 2.781 123.384 120.500 0.170 0.000 2.445 354 R HA 0.226 4.566 4.340 -0.000 0.000 0.308 354 R C -0.395 176.029 176.300 0.206 0.000 0.961 354 R CA -0.868 55.321 56.100 0.148 0.000 0.862 354 R CB 1.709 32.128 30.300 0.197 0.000 1.144 354 R HN 0.374 nan 8.270 nan 0.000 0.447 355 K N 1.200 121.619 120.400 0.032 0.000 2.382 355 K HA 0.066 4.386 4.320 -0.000 0.000 0.275 355 K C 0.355 177.080 176.600 0.208 0.000 1.009 355 K CA -0.100 56.163 56.287 -0.039 0.000 0.970 355 K CB 1.048 33.276 32.500 -0.454 0.000 0.934 355 K HN 0.317 nan 8.250 nan 0.000 0.479 356 V N 1.888 121.979 119.914 0.296 0.000 3.058 356 V HA 0.153 4.273 4.120 -0.000 0.000 0.233 356 V C -0.020 176.155 176.094 0.134 0.000 1.255 356 V CA 0.067 62.438 62.300 0.119 0.000 1.267 356 V CB 0.405 32.303 31.823 0.126 0.000 1.049 356 V HN 0.781 nan 8.190 nan 0.000 0.486 357 M N -1.321 118.476 119.600 0.328 0.000 2.284 357 M HA 0.371 4.851 4.480 -0.000 0.000 0.281 357 M C -0.293 176.205 176.300 0.330 0.000 1.083 357 M CA -0.564 54.891 55.300 0.258 0.000 0.965 357 M CB 2.181 34.842 32.600 0.102 0.000 1.717 357 M HN 0.221 nan 8.290 nan 0.000 0.479 358 Y N 3.438 123.839 120.300 0.168 0.000 2.231 358 Y HA 0.338 4.888 4.550 -0.000 0.000 0.294 358 Y C -0.282 175.501 175.900 -0.196 0.000 1.120 358 Y CA 1.456 59.481 58.100 -0.125 0.000 1.141 358 Y CB 0.612 39.003 38.460 -0.115 0.000 1.022 358 Y HN 0.684 nan 8.280 nan 0.000 0.523 359 E N -1.095 118.954 120.200 -0.251 0.000 2.321 359 E HA 0.533 4.882 4.350 -0.000 0.000 0.278 359 E C -1.325 175.179 176.600 -0.160 0.000 0.902 359 E CA -0.487 55.731 56.400 -0.303 0.000 0.758 359 E CB 2.036 31.569 29.700 -0.278 0.000 1.213 359 E HN 0.296 nan 8.360 nan 0.000 0.426 360 G N 0.795 109.472 108.800 -0.205 0.000 2.701 360 G HA2 0.628 4.588 3.960 -0.000 0.000 0.300 360 G HA3 0.628 4.588 3.960 -0.000 0.000 0.300 360 G C -1.067 173.676 174.900 -0.262 0.000 1.410 360 G CA -0.364 44.672 45.100 -0.106 0.000 1.014 360 G HN 0.484 nan 8.290 nan 0.000 0.509 361 S N 0.847 116.562 115.700 0.025 0.000 2.615 361 S HA 0.580 5.050 4.470 -0.000 0.000 0.268 361 S C -1.126 173.691 174.600 0.361 0.000 1.146 361 S CA -0.818 57.396 58.200 0.022 0.000 0.818 361 S CB 1.166 64.279 63.200 -0.144 0.000 1.111 361 S HN 1.492 nan 8.310 nan 0.000 0.465 362 L N 2.282 123.695 121.223 0.317 0.000 2.525 362 L HA 0.533 4.873 4.340 -0.000 0.000 0.278 362 L C 1.313 178.204 176.870 0.036 0.000 1.218 362 L CA 1.523 56.433 54.840 0.116 0.000 0.878 362 L CB 0.286 42.283 42.059 -0.103 0.000 1.127 362 L HN 1.025 nan 8.230 nan 0.000 0.492 363 G N 2.854 111.646 108.800 -0.014 0.000 2.471 363 G HA2 0.471 4.431 3.960 -0.000 0.000 0.211 363 G HA3 0.471 4.431 3.960 -0.000 0.000 0.211 363 G C 0.384 175.319 174.900 0.058 0.000 1.194 363 G CA 0.521 45.668 45.100 0.079 0.000 0.816 363 G HN 1.094 nan 8.290 nan 0.000 0.545 364 G N -1.151 107.578 108.800 -0.118 0.000 2.506 364 G HA2 0.570 4.530 3.960 -0.000 0.000 0.292 364 G HA3 0.570 4.530 3.960 -0.000 0.000 0.292 364 G C -1.073 173.753 174.900 -0.124 0.000 1.425 364 G CA -0.333 44.682 45.100 -0.141 0.000 0.788 364 G HN 0.788 nan 8.290 nan 0.000 0.490 365 M N -0.959 118.634 119.600 -0.011 0.000 2.622 365 M HA 0.913 5.393 4.480 -0.000 0.000 0.276 365 M C -1.750 174.634 176.300 0.139 0.000 1.265 365 M CA -1.088 54.248 55.300 0.061 0.000 0.850 365 M CB 2.713 35.296 32.600 -0.027 0.000 1.720 365 M HN 0.832 nan 8.290 nan 0.000 0.465 366 I N 1.243 121.883 120.570 0.117 0.000 2.722 366 I HA 0.629 4.798 4.170 -0.000 0.000 0.292 366 I C -1.872 174.290 176.117 0.075 0.000 1.267 366 I CA -0.680 60.706 61.300 0.144 0.000 1.036 366 I CB 2.543 40.647 38.000 0.174 0.000 1.281 366 I HN 0.638 nan 8.210 nan 0.000 0.423 367 V N 8.351 128.357 119.914 0.154 0.000 2.276 367 V HA 0.479 4.599 4.120 -0.000 0.000 0.268 367 V C -2.411 173.752 176.094 0.115 0.000 1.032 367 V CA -1.224 61.122 62.300 0.076 0.000 0.810 367 V CB 0.586 32.491 31.823 0.137 0.000 1.060 367 V HN 0.545 nan 8.190 nan 0.000 0.446 368 P HA 0.501 nan 4.420 nan 0.000 0.290 368 P C -1.290 176.076 177.300 0.109 0.000 1.275 368 P CA -0.520 62.722 63.100 0.236 0.000 0.841 368 P CB 1.350 33.274 31.700 0.374 0.000 1.042 369 Y N -0.242 120.227 120.300 0.281 0.000 2.488 369 Y HA 0.551 5.101 4.550 -0.000 0.000 0.325 369 Y C 1.858 177.835 175.900 0.128 0.000 1.204 369 Y CA 0.081 58.306 58.100 0.210 0.000 1.229 369 Y CB 1.248 39.859 38.460 0.252 0.000 1.274 369 Y HN 0.468 nan 8.280 nan 0.000 0.493 370 G N -0.275 108.624 108.800 0.165 0.000 3.393 370 G HA2 0.016 3.976 3.960 -0.000 0.000 0.255 370 G HA3 0.016 3.976 3.960 -0.000 0.000 0.255 370 G C -0.667 174.146 174.900 -0.145 0.000 1.097 370 G CA 0.013 45.093 45.100 -0.034 0.000 0.780 370 G HN 0.480 nan 8.290 nan 0.000 0.540 371 D N 0.508 120.826 120.400 -0.136 0.000 2.278 371 D HA 0.312 4.952 4.640 -0.000 0.000 0.245 371 D C -1.856 174.308 176.300 -0.226 0.000 1.052 371 D CA -1.946 51.765 54.000 -0.483 0.000 0.834 371 D CB 3.230 43.738 40.800 -0.487 0.000 1.194 371 D HN -0.032 nan 8.370 nan 0.000 0.481 372 P HA 0.130 nan 4.420 nan 0.000 0.255 372 P C -0.154 177.203 177.300 0.095 0.000 1.248 372 P CA -0.112 62.956 63.100 -0.053 0.000 0.807 372 P CB 0.707 32.330 31.700 -0.128 0.000 1.150 373 D N 0.061 120.519 120.400 0.096 0.000 2.372 373 D HA -0.023 4.617 4.640 -0.000 0.000 0.243 373 D C 1.466 178.005 176.300 0.400 0.000 1.297 373 D CA -0.335 53.800 54.000 0.225 0.000 0.958 373 D CB 0.532 41.465 40.800 0.221 0.000 1.114 373 D HN -0.143 nan 8.370 nan 0.000 0.496 374 I N 0.323 121.094 120.570 0.335 0.000 2.394 374 I HA -0.052 4.118 4.170 -0.000 0.000 0.251 374 I C 1.861 178.176 176.117 0.330 0.000 1.136 374 I CA 1.461 62.972 61.300 0.352 0.000 1.425 374 I CB -0.426 37.690 38.000 0.194 0.000 1.079 374 I HN 0.424 nan 8.210 nan 0.000 0.425 375 G N -2.077 106.843 108.800 0.199 0.000 3.233 375 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.227 375 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.227 375 G C 0.602 175.068 174.900 -0.722 0.000 1.175 375 G CA 0.002 45.015 45.100 -0.146 0.000 0.781 375 G HN 0.515 nan 8.290 nan 0.000 0.542 376 W N -1.535 119.641 121.300 -0.207 0.000 3.728 376 W HA 0.172 4.832 4.660 -0.000 0.000 0.210 376 W C 2.029 178.292 176.519 -0.427 0.000 1.105 376 W CA -0.213 56.899 57.345 -0.388 0.000 1.561 376 W CB -0.242 29.112 29.460 -0.176 0.000 0.718 376 W HN 0.195 nan 8.180 nan 0.000 0.847 377 Y N 0.625 120.963 120.300 0.063 0.000 2.256 377 Y HA -0.227 4.323 4.550 -0.000 0.000 0.288 377 Y C 1.669 177.679 175.900 0.182 0.000 1.155 377 Y CA 1.556 59.727 58.100 0.119 0.000 1.203 377 Y CB -1.701 36.809 38.460 0.083 0.000 0.980 377 Y HN 0.068 nan 8.280 nan 0.000 0.530 378 F N 0.066 119.766 119.950 -0.417 0.000 2.731 378 F HA 0.400 4.927 4.527 -0.000 0.000 0.298 378 F C 0.842 176.662 175.800 0.033 0.000 1.106 378 F CA -1.344 56.597 58.000 -0.098 0.000 1.329 378 F CB -0.464 38.245 39.000 -0.485 0.000 1.100 378 F HN -0.189 nan 8.300 nan 0.000 0.592 379 K N 2.371 122.245 120.400 -0.878 0.000 2.363 379 K HA 0.505 4.825 4.320 -0.000 0.000 0.289 379 K C -0.856 175.775 176.600 0.051 0.000 1.063 379 K CA 0.234 56.177 56.287 -0.574 0.000 0.967 379 K CB 0.040 32.081 32.500 -0.765 0.000 0.987 379 K HN 0.356 nan 8.250 nan 0.000 0.473 380 A N 5.839 128.714 122.820 0.091 0.000 2.684 380 A HA 0.206 4.526 4.320 -0.000 0.000 0.289 380 A C -1.664 176.042 177.584 0.203 0.000 1.139 380 A CA -0.663 51.509 52.037 0.226 0.000 0.793 380 A CB 0.213 19.306 19.000 0.155 0.000 1.334 380 A HN 0.718 nan 8.150 nan 0.000 0.408 381 Y N 1.778 122.227 120.300 0.247 0.000 2.605 381 Y HA 0.217 4.767 4.550 -0.000 0.000 0.336 381 Y C 0.578 176.618 175.900 0.234 0.000 1.111 381 Y CA 0.702 58.968 58.100 0.276 0.000 1.422 381 Y CB 0.544 39.159 38.460 0.258 0.000 1.193 381 Y HN 0.549 nan 8.280 nan 0.000 0.526 382 L N 5.291 126.724 121.223 0.350 0.000 2.407 382 L HA 0.147 4.487 4.340 -0.000 0.000 0.261 382 L C 0.781 177.853 176.870 0.337 0.000 1.108 382 L CA -0.192 54.801 54.840 0.256 0.000 0.995 382 L CB 0.273 42.414 42.059 0.136 0.000 1.349 382 L HN 0.749 nan 8.230 nan 0.000 0.423 383 D N 0.276 120.890 120.400 0.357 0.000 2.104 383 D HA -0.179 4.461 4.640 -0.000 0.000 0.194 383 D C 2.019 178.516 176.300 0.329 0.000 0.994 383 D CA 1.945 56.193 54.000 0.413 0.000 0.830 383 D CB 0.275 41.258 40.800 0.304 0.000 0.959 383 D HN 0.590 nan 8.370 nan 0.000 0.452 384 S N 0.421 116.236 115.700 0.192 0.000 2.345 384 S HA -0.035 4.435 4.470 -0.000 0.000 0.219 384 S C 2.323 176.939 174.600 0.027 0.000 1.031 384 S CA 1.283 59.556 58.200 0.121 0.000 0.984 384 S CB -0.903 62.337 63.200 0.066 0.000 0.874 384 S HN 0.233 nan 8.310 nan 0.000 0.451 385 G N 1.608 110.391 108.800 -0.028 0.000 2.446 385 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 385 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 385 G C 1.167 176.014 174.900 -0.087 0.000 1.168 385 G CA 1.211 46.236 45.100 -0.124 0.000 0.771 385 G HN 0.525 nan 8.290 nan 0.000 0.551 386 D N -1.498 118.884 120.400 -0.030 0.000 2.327 386 D HA 0.117 4.757 4.640 -0.000 0.000 0.205 386 D C 1.511 177.612 176.300 -0.332 0.000 0.989 386 D CA 0.458 54.334 54.000 -0.207 0.000 0.873 386 D CB 0.245 40.862 40.800 -0.304 0.000 0.955 386 D HN 0.481 nan 8.370 nan 0.000 0.515 387 Y N -0.416 119.952 120.300 0.114 0.000 2.526 387 Y HA 0.338 4.888 4.550 -0.000 0.000 0.265 387 Y C 1.088 177.079 175.900 0.151 0.000 1.092 387 Y CA 0.185 58.388 58.100 0.172 0.000 1.277 387 Y CB 1.008 39.624 38.460 0.260 0.000 1.228 387 Y HN -0.113 nan 8.280 nan 0.000 0.507 388 G N 1.337 110.290 108.800 0.256 0.000 2.929 388 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.335 388 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.335 388 G C 0.276 175.327 174.900 0.251 0.000 1.054 388 G CA 0.061 45.275 45.100 0.190 0.000 1.067 388 G HN 0.226 nan 8.290 nan 0.000 0.472 389 M N 1.197 120.966 119.600 0.283 0.000 2.229 389 M HA 0.023 4.503 4.480 -0.000 0.000 0.264 389 M C 2.747 179.366 176.300 0.533 0.000 1.063 389 M CA 2.079 57.619 55.300 0.399 0.000 1.114 389 M CB -0.142 32.755 32.600 0.496 0.000 1.387 389 M HN 0.681 nan 8.290 nan 0.000 0.420 390 G N 0.119 109.146 108.800 0.379 0.000 2.459 390 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 390 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 390 G C 1.434 176.491 174.900 0.263 0.000 1.183 390 G CA 1.622 46.892 45.100 0.284 0.000 0.776 390 G HN 0.354 nan 8.290 nan 0.000 0.552 391 T N 1.040 115.716 114.554 0.205 0.000 2.737 391 T HA -0.056 4.294 4.350 -0.000 0.000 0.269 391 T C 1.983 176.790 174.700 0.178 0.000 1.040 391 T CA 0.866 63.072 62.100 0.178 0.000 1.142 391 T CB -0.144 68.830 68.868 0.177 0.000 0.861 391 T HN 0.128 nan 8.240 nan 0.000 0.456 392 L N 1.162 122.508 121.223 0.205 0.000 2.741 392 L HA 0.162 4.502 4.340 -0.000 0.000 0.237 392 L C 0.488 177.443 176.870 0.141 0.000 1.178 392 L CA -0.288 54.643 54.840 0.151 0.000 0.973 392 L CB -0.356 41.792 42.059 0.149 0.000 1.255 392 L HN 0.092 nan 8.230 nan 0.000 0.498 393 T N 0.643 115.334 114.554 0.227 0.000 2.867 393 T HA -0.067 4.283 4.350 -0.000 0.000 0.290 393 T C 0.665 175.417 174.700 0.087 0.000 1.025 393 T CA 0.486 62.717 62.100 0.219 0.000 1.146 393 T CB 0.325 69.438 68.868 0.408 0.000 1.024 393 T HN 0.149 nan 8.240 nan 0.000 0.519 394 S N 5.925 121.623 115.700 -0.003 0.000 2.422 394 S HA 0.325 4.794 4.470 -0.000 0.000 0.298 394 S C -2.139 172.470 174.600 0.015 0.000 1.118 394 S CA -1.218 56.974 58.200 -0.013 0.000 1.083 394 S CB 0.838 63.997 63.200 -0.069 0.000 0.971 394 S HN 0.460 nan 8.310 nan 0.000 0.478 395 P HA 0.093 nan 4.420 nan 0.000 0.262 395 P C -0.391 176.926 177.300 0.027 0.000 1.182 395 P CA -0.027 63.098 63.100 0.042 0.000 0.761 395 P CB 0.234 31.952 31.700 0.030 0.000 0.795 396 I N 2.330 122.927 120.570 0.044 0.000 2.598 396 I HA 0.069 4.239 4.170 -0.000 0.000 0.284 396 I C 0.838 176.965 176.117 0.016 0.000 1.140 396 I CA 0.088 61.410 61.300 0.036 0.000 1.420 396 I CB 0.475 38.518 38.000 0.070 0.000 1.387 396 I HN 0.349 nan 8.210 nan 0.000 0.553 397 A N 7.878 130.699 122.820 0.002 0.000 2.410 397 A HA 0.188 4.508 4.320 -0.000 0.000 0.292 397 A C 0.587 178.165 177.584 -0.009 0.000 1.232 397 A CA -0.342 51.692 52.037 -0.006 0.000 0.893 397 A CB -0.118 18.876 19.000 -0.011 0.000 1.131 397 A HN 0.797 nan 8.150 nan 0.000 0.530 398 R N 2.154 122.649 120.500 -0.008 0.000 2.523 398 R HA 0.193 4.533 4.340 -0.000 0.000 0.281 398 R C 1.453 177.741 176.300 -0.020 0.000 0.969 398 R CA 1.648 57.741 56.100 -0.012 0.000 1.093 398 R CB -0.031 30.263 30.300 -0.011 0.000 0.917 398 R HN 1.584 nan 8.270 nan 0.000 0.408 399 G N 3.161 111.939 108.800 -0.037 0.000 2.212 399 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.266 399 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.266 399 G C 0.625 175.497 174.900 -0.047 0.000 0.978 399 G CA 0.848 45.922 45.100 -0.043 0.000 0.632 399 G HN 0.664 nan 8.290 nan 0.000 0.537 400 K N -0.885 119.491 120.400 -0.040 0.000 2.354 400 K HA 0.156 4.476 4.320 -0.000 0.000 0.210 400 K C 1.393 177.973 176.600 -0.034 0.000 1.184 400 K CA 0.360 56.627 56.287 -0.033 0.000 0.880 400 K CB 0.046 32.533 32.500 -0.022 0.000 1.328 400 K HN 0.078 nan 8.250 nan 0.000 0.466 401 D N 1.122 121.506 120.400 -0.027 0.000 2.269 401 D HA 0.011 4.651 4.640 -0.000 0.000 0.208 401 D C 0.273 176.563 176.300 -0.016 0.000 0.963 401 D CA 0.693 54.687 54.000 -0.010 0.000 0.864 401 D CB 0.341 41.140 40.800 -0.001 0.000 0.936 401 D HN 0.199 nan 8.370 nan 0.000 0.505 402 A N 0.352 123.121 122.820 -0.086 0.000 2.556 402 A HA 0.574 4.894 4.320 -0.000 0.000 0.294 402 A C -2.687 174.706 177.584 -0.318 0.000 1.091 402 A CA -1.326 50.558 52.037 -0.254 0.000 0.704 402 A CB 1.750 20.653 19.000 -0.162 0.000 1.300 402 A HN -0.221 nan 8.150 nan 0.000 0.406 403 P HA 0.111 nan 4.420 nan 0.000 0.272 403 P C 0.795 177.978 177.300 -0.195 0.000 1.230 403 P CA 0.211 63.105 63.100 -0.342 0.000 0.788 403 P CB 0.852 32.295 31.700 -0.429 0.000 0.949 404 S N -0.072 115.575 115.700 -0.087 0.000 2.547 404 S HA -0.116 4.354 4.470 -0.000 0.000 0.235 404 S C 1.107 175.723 174.600 0.026 0.000 0.980 404 S CA 0.427 58.616 58.200 -0.019 0.000 0.941 404 S CB -1.111 62.095 63.200 0.011 0.000 0.763 404 S HN 0.602 nan 8.310 nan 0.000 0.532 405 N N 1.846 120.560 118.700 0.023 0.000 2.276 405 N HA 0.283 5.023 4.740 -0.000 0.000 0.212 405 N C 0.190 175.795 175.510 0.158 0.000 1.127 405 N CA 0.169 53.281 53.050 0.103 0.000 0.834 405 N CB -0.130 38.429 38.487 0.119 0.000 1.014 405 N HN 0.452 nan 8.380 nan 0.000 0.491 406 A N 0.340 123.225 122.820 0.108 0.000 2.332 406 A HA 0.491 4.811 4.320 -0.000 0.000 0.258 406 A C -0.088 177.630 177.584 0.223 0.000 1.087 406 A CA -0.439 51.721 52.037 0.204 0.000 0.802 406 A CB 0.794 19.864 19.000 0.117 0.000 1.042 406 A HN 0.080 nan 8.150 nan 0.000 0.489 407 V N 2.330 122.412 119.914 0.280 0.000 2.435 407 V HA 0.363 4.483 4.120 -0.000 0.000 0.290 407 V C -0.231 175.994 176.094 0.219 0.000 1.030 407 V CA -0.224 62.238 62.300 0.270 0.000 0.881 407 V CB 1.147 33.182 31.823 0.353 0.000 0.983 407 V HN 0.675 nan 8.190 nan 0.000 0.445 408 L N 6.216 127.547 121.223 0.180 0.000 2.322 408 L HA 0.606 4.946 4.340 -0.000 0.000 0.281 408 L C -0.662 176.286 176.870 0.131 0.000 1.014 408 L CA -0.470 54.452 54.840 0.137 0.000 0.815 408 L CB 1.598 43.707 42.059 0.083 0.000 1.247 408 L HN 0.380 nan 8.230 nan 0.000 0.421 409 L N 3.090 124.389 121.223 0.126 0.000 2.325 409 L HA 0.488 4.828 4.340 -0.000 0.000 0.278 409 L C -0.295 176.614 176.870 0.065 0.000 1.023 409 L CA -0.846 54.061 54.840 0.111 0.000 0.811 409 L CB 1.603 43.728 42.059 0.111 0.000 1.249 409 L HN 0.573 nan 8.230 nan 0.000 0.431 410 N N 2.104 120.823 118.700 0.031 0.000 2.524 410 N HA 0.387 5.127 4.740 -0.000 0.000 0.283 410 N C -0.613 174.907 175.510 0.018 0.000 1.142 410 N CA -0.455 52.607 53.050 0.020 0.000 0.984 410 N CB 1.625 40.108 38.487 -0.007 0.000 1.155 410 N HN 0.499 nan 8.380 nan 0.000 0.467 411 E N 0.224 120.437 120.200 0.021 0.000 2.369 411 E HA 0.472 4.822 4.350 -0.000 0.000 0.270 411 E C -0.771 175.833 176.600 0.008 0.000 0.909 411 E CA -0.624 55.779 56.400 0.005 0.000 0.775 411 E CB 2.042 31.740 29.700 -0.004 0.000 1.270 411 E HN 0.345 nan 8.360 nan 0.000 0.445 412 T N 1.891 116.442 114.554 -0.005 0.000 2.824 412 T HA 0.713 5.063 4.350 -0.000 0.000 0.282 412 T C 0.138 174.834 174.700 -0.007 0.000 0.993 412 T CA -0.580 61.517 62.100 -0.004 0.000 0.967 412 T CB 0.566 69.427 68.868 -0.011 0.000 0.960 412 T HN 0.441 nan 8.240 nan 0.000 0.441 413 I N -0.748 119.824 120.570 0.003 0.000 3.279 413 I HA 0.939 5.109 4.170 -0.000 0.000 0.315 413 I C -0.557 175.560 176.117 -0.001 0.000 1.187 413 I CA -1.912 59.389 61.300 0.001 0.000 0.953 413 I CB 1.710 39.722 38.000 0.019 0.000 1.279 413 I HN 0.626 nan 8.210 nan 0.000 0.465 414 A N 1.901 124.715 122.820 -0.009 0.000 2.354 414 A HA 0.508 4.828 4.320 -0.000 0.000 0.269 414 A C -0.448 177.149 177.584 0.020 0.000 1.109 414 A CA -0.205 51.814 52.037 -0.031 0.000 0.800 414 A CB 0.130 19.083 19.000 -0.078 0.000 1.045 414 A HN 0.864 nan 8.150 nan 0.000 0.489 415 D N 0.279 120.685 120.400 0.009 0.000 2.451 415 D HA 0.112 4.752 4.640 -0.000 0.000 0.259 415 D C 0.733 177.098 176.300 0.108 0.000 1.201 415 D CA -0.002 54.040 54.000 0.070 0.000 1.028 415 D CB -0.051 40.764 40.800 0.025 0.000 1.095 415 D HN 0.624 nan 8.370 nan 0.000 0.539 416 Y N -2.259 118.129 120.300 0.148 0.000 2.574 416 Y HA 0.023 4.573 4.550 -0.000 0.000 0.294 416 Y C 1.747 177.839 175.900 0.319 0.000 1.142 416 Y CA 1.120 59.349 58.100 0.215 0.000 1.314 416 Y CB -0.928 37.628 38.460 0.160 0.000 0.991 416 Y HN 0.353 nan 8.280 nan 0.000 0.555 417 T N -3.738 110.620 114.554 -0.327 0.000 3.086 417 T HA 0.461 4.811 4.350 -0.000 0.000 0.250 417 T C 1.553 176.325 174.700 0.119 0.000 1.074 417 T CA 0.260 62.319 62.100 -0.067 0.000 0.988 417 T CB -0.223 68.478 68.868 -0.279 0.000 0.988 417 T HN 0.847 nan 8.240 nan 0.000 0.530 418 G N 0.528 109.292 108.800 -0.059 0.000 2.159 418 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.227 418 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.227 418 G C -0.078 174.675 174.900 -0.245 0.000 0.986 418 G CA -0.161 44.684 45.100 -0.425 0.000 0.651 418 G HN 0.675 nan 8.290 nan 0.000 0.523 419 V N 2.236 122.064 119.914 -0.145 0.000 2.407 419 V HA 0.484 4.604 4.120 -0.000 0.000 0.278 419 V C -1.640 174.406 176.094 -0.080 0.000 1.037 419 V CA -1.751 60.487 62.300 -0.102 0.000 0.900 419 V CB 1.614 33.390 31.823 -0.078 0.000 0.983 419 V HN 0.104 nan 8.190 nan 0.000 0.459 420 P HA 0.103 nan 4.420 nan 0.000 0.265 420 P C -0.565 176.719 177.300 -0.026 0.000 1.193 420 P CA 0.171 63.243 63.100 -0.047 0.000 0.765 420 P CB 0.362 32.036 31.700 -0.042 0.000 0.823 421 M N 2.439 122.033 119.600 -0.010 0.000 2.142 421 M HA 0.285 4.765 4.480 -0.000 0.000 0.299 421 M C -0.554 175.754 176.300 0.013 0.000 0.960 421 M CA -0.624 54.680 55.300 0.007 0.000 0.920 421 M CB 1.494 34.109 32.600 0.025 0.000 1.541 421 M HN 0.223 nan 8.290 nan 0.000 0.429 422 E N 5.541 125.747 120.200 0.010 0.000 2.130 422 E HA 0.359 4.709 4.350 -0.000 0.000 0.284 422 E C -1.337 175.278 176.600 0.024 0.000 1.018 422 E CA -0.429 55.978 56.400 0.012 0.000 0.817 422 E CB 0.844 30.545 29.700 0.002 0.000 1.078 422 E HN 0.746 nan 8.360 nan 0.000 0.396 423 I N 8.138 128.729 120.570 0.036 0.000 2.297 423 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 423 I C -1.984 174.160 176.117 0.045 0.000 1.033 423 I CA -2.227 59.105 61.300 0.053 0.000 1.253 423 I CB 0.969 39.020 38.000 0.084 0.000 1.396 423 I HN 0.390 nan 8.210 nan 0.000 0.476 424 P HA 0.157 nan 4.420 nan 0.000 0.279 424 P C -0.497 176.825 177.300 0.037 0.000 1.239 424 P CA -0.308 62.803 63.100 0.019 0.000 0.789 424 P CB 0.695 32.395 31.700 0.001 0.000 0.933 425 R N 1.069 121.592 120.500 0.037 0.000 3.422 425 R HA -0.201 4.139 4.340 -0.000 0.000 0.267 425 R C 0.988 177.348 176.300 0.101 0.000 1.074 425 R CA 0.517 56.652 56.100 0.059 0.000 0.718 425 R CB -2.528 27.795 30.300 0.038 0.000 1.157 425 R HN 0.619 nan 8.270 nan 0.000 0.440 426 A N 0.132 123.024 122.820 0.120 0.000 2.014 426 A HA 0.166 4.486 4.320 -0.000 0.000 0.218 426 A C 0.968 178.718 177.584 0.276 0.000 1.163 426 A CA 0.883 53.036 52.037 0.193 0.000 0.652 426 A CB 0.393 19.492 19.000 0.165 0.000 0.808 426 A HN 0.354 nan 8.150 nan 0.000 0.449 427 I N -1.500 119.192 120.570 0.203 0.000 2.722 427 I HA 0.540 4.710 4.170 -0.000 0.000 0.295 427 I C -0.479 175.748 176.117 0.184 0.000 1.161 427 I CA -0.634 60.797 61.300 0.219 0.000 1.032 427 I CB 2.330 40.409 38.000 0.131 0.000 1.244 427 I HN 0.094 nan 8.210 nan 0.000 0.421 428 A N 5.486 128.438 122.820 0.220 0.000 2.350 428 A HA 0.892 5.212 4.320 -0.000 0.000 0.324 428 A C -1.179 176.522 177.584 0.196 0.000 1.118 428 A CA -0.541 51.642 52.037 0.243 0.000 0.783 428 A CB 1.573 20.769 19.000 0.327 0.000 1.236 428 A HN 0.388 nan 8.150 nan 0.000 0.457 429 V N 2.626 122.625 119.914 0.142 0.000 2.487 429 V HA 0.748 4.868 4.120 -0.000 0.000 0.298 429 V C -0.965 175.146 176.094 0.029 0.000 1.028 429 V CA -0.312 61.922 62.300 -0.109 0.000 0.860 429 V CB 0.700 32.339 31.823 -0.308 0.000 0.991 429 V HN 0.905 nan 8.190 nan 0.000 0.427 430 F N 0.902 120.744 119.950 -0.181 0.000 2.654 430 F HA 0.728 5.255 4.527 -0.000 0.000 0.308 430 F C -0.694 175.034 175.800 -0.120 0.000 1.108 430 F CA -1.114 56.851 58.000 -0.058 0.000 0.957 430 F CB 1.609 40.620 39.000 0.019 0.000 1.309 430 F HN 0.466 nan 8.300 nan 0.000 0.446 431 E N 1.968 122.295 120.200 0.213 0.000 2.242 431 E HA 0.630 4.980 4.350 -0.000 0.000 0.275 431 E C -1.046 175.691 176.600 0.228 0.000 1.002 431 E CA -0.929 55.528 56.400 0.094 0.000 0.841 431 E CB 1.480 31.331 29.700 0.253 0.000 1.109 431 E HN 0.851 nan 8.360 nan 0.000 0.394 432 R N 2.736 123.323 120.500 0.145 0.000 2.698 432 R HA 0.245 4.585 4.340 -0.000 0.000 0.275 432 R C -1.443 174.950 176.300 0.155 0.000 1.001 432 R CA -0.949 55.265 56.100 0.189 0.000 0.896 432 R CB 0.625 31.049 30.300 0.206 0.000 1.218 432 R HN 0.526 nan 8.270 nan 0.000 0.462 433 Y N 1.714 122.055 120.300 0.068 0.000 2.442 433 Y HA 0.398 4.948 4.550 -0.000 0.000 0.330 433 Y C -0.356 175.554 175.900 0.017 0.000 1.129 433 Y CA 0.435 58.562 58.100 0.044 0.000 1.365 433 Y CB 1.206 39.686 38.460 0.033 0.000 1.233 433 Y HN 0.838 nan 8.280 nan 0.000 0.529 434 A N 5.109 127.470 122.820 -0.765 0.000 2.806 434 A HA 0.623 4.943 4.320 -0.000 0.000 0.266 434 A C 0.511 177.716 177.584 -0.632 0.000 0.926 434 A CA 0.167 51.888 52.037 -0.526 0.000 1.068 434 A CB -0.717 18.122 19.000 -0.268 0.000 1.189 434 A HN 1.799 nan 8.150 nan 0.000 0.481 435 G N 0.455 108.531 108.800 -1.207 0.000 2.660 435 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.247 435 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.247 435 G C -3.354 171.339 174.900 -0.345 0.000 1.328 435 G CA -0.389 44.418 45.100 -0.488 0.000 0.884 435 G HN 0.441 nan 8.290 nan 0.000 0.531 436 P HA 0.398 nan 4.420 nan 0.000 0.284 436 P C 0.426 177.668 177.300 -0.097 0.000 1.253 436 P CA -0.208 62.851 63.100 -0.068 0.000 0.800 436 P CB 1.801 33.499 31.700 -0.003 0.000 0.961 437 E N 3.376 123.483 120.200 -0.155 0.000 2.072 437 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 437 E C -0.092 176.496 176.600 -0.021 0.000 0.985 437 E CA 1.723 58.044 56.400 -0.132 0.000 0.801 437 E CB -0.356 29.201 29.700 -0.239 0.000 0.750 437 E HN 0.568 nan 8.360 nan 0.000 0.452 438 Y N -2.956 117.351 120.300 0.012 0.000 2.677 438 Y HA 0.633 5.183 4.550 -0.000 0.000 0.334 438 Y C -1.221 174.697 175.900 0.030 0.000 1.196 438 Y CA -1.729 56.380 58.100 0.015 0.000 1.059 438 Y CB 0.720 39.184 38.460 0.007 0.000 1.315 438 Y HN -0.154 nan 8.280 nan 0.000 0.455 439 K N 1.364 121.971 120.400 0.345 0.000 2.543 439 K HA 0.505 4.825 4.320 -0.000 0.000 0.255 439 K C -2.585 174.168 176.600 0.254 0.000 0.934 439 K CA -0.734 55.701 56.287 0.247 0.000 0.810 439 K CB 1.919 34.494 32.500 0.124 0.000 1.315 439 K HN 1.028 nan 8.250 nan 0.000 0.433 440 H N 2.022 121.157 119.070 0.108 0.000 2.759 440 H HA 0.297 4.852 4.556 -0.000 0.000 0.354 440 H C -1.691 173.661 175.328 0.041 0.000 1.074 440 H CA -0.358 55.719 56.048 0.050 0.000 1.226 440 H CB 1.967 31.738 29.762 0.015 0.000 1.648 440 H HN 0.525 nan 8.280 nan 0.000 0.529 441 Q N 3.660 123.131 119.800 -0.548 0.000 2.508 441 Q HA 0.244 4.584 4.340 -0.000 0.000 0.247 441 Q C -0.962 174.667 176.000 -0.618 0.000 1.047 441 Q CA -0.806 54.757 55.803 -0.400 0.000 0.783 441 Q CB 0.659 29.285 28.738 -0.188 0.000 1.172 441 Q HN 0.617 nan 8.270 nan 0.000 0.515 442 E N 2.978 122.852 120.200 -0.543 0.000 2.384 442 E HA 0.073 4.423 4.350 -0.000 0.000 0.266 442 E C -0.586 175.951 176.600 -0.105 0.000 1.012 442 E CA -0.044 56.228 56.400 -0.214 0.000 0.901 442 E CB 0.569 30.304 29.700 0.058 0.000 0.967 442 E HN 0.781 nan 8.360 nan 0.000 0.435 443 M N 4.083 123.653 119.600 -0.050 0.000 2.252 443 M HA 0.124 4.604 4.480 -0.000 0.000 0.348 443 M C 0.924 177.213 176.300 -0.018 0.000 1.334 443 M CA 1.556 56.837 55.300 -0.032 0.000 1.071 443 M CB 0.013 32.606 32.600 -0.010 0.000 1.763 443 M HN 0.807 nan 8.290 nan 0.000 0.452 444 G N 2.853 111.641 108.800 -0.020 0.000 2.233 444 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.270 444 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.270 444 G C -0.208 174.686 174.900 -0.010 0.000 1.011 444 G CA 0.235 45.327 45.100 -0.012 0.000 0.762 444 G HN 0.665 nan 8.290 nan 0.000 0.511 445 Q N -0.660 119.131 119.800 -0.016 0.000 2.359 445 Q HA 0.537 4.877 4.340 -0.000 0.000 0.275 445 Q C -2.426 173.567 176.000 -0.011 0.000 1.082 445 Q CA -1.991 53.808 55.803 -0.007 0.000 0.849 445 Q CB 1.301 30.041 28.738 0.003 0.000 1.377 445 Q HN 0.141 nan 8.270 nan 0.000 0.452 446 P HA -0.010 nan 4.420 nan 0.000 0.268 446 P C -0.035 177.265 177.300 -0.001 0.000 1.205 446 P CA -0.028 63.072 63.100 0.000 0.000 0.771 446 P CB 0.451 32.156 31.700 0.009 0.000 0.858 447 N N 1.628 120.325 118.700 -0.005 0.000 2.416 447 N HA 0.056 4.796 4.740 -0.000 0.000 0.246 447 N C -1.071 174.459 175.510 0.033 0.000 1.260 447 N CA 0.025 53.073 53.050 -0.004 0.000 0.897 447 N CB 0.466 38.951 38.487 -0.003 0.000 1.110 447 N HN 0.031 nan 8.380 nan 0.000 0.439 448 V N 1.881 121.834 119.914 0.065 0.000 2.409 448 V HA 0.391 4.511 4.120 -0.000 0.000 0.291 448 V C -0.465 175.719 176.094 0.149 0.000 1.020 448 V CA -0.537 61.836 62.300 0.122 0.000 0.848 448 V CB 1.392 33.316 31.823 0.168 0.000 0.990 448 V HN 0.665 nan 8.190 nan 0.000 0.430 449 S N 2.455 118.217 115.700 0.103 0.000 2.536 449 S HA 0.828 5.298 4.470 -0.000 0.000 0.271 449 S C -0.345 174.214 174.600 -0.067 0.000 1.134 449 S CA -0.723 57.499 58.200 0.038 0.000 0.897 449 S CB 2.375 65.589 63.200 0.024 0.000 1.094 449 S HN 0.968 nan 8.310 nan 0.000 0.473 450 T N -0.814 113.583 114.554 -0.261 0.000 2.906 450 T HA 0.657 5.007 4.350 -0.000 0.000 0.295 450 T C -0.847 173.730 174.700 -0.205 0.000 1.061 450 T CA -1.093 60.839 62.100 -0.280 0.000 1.000 450 T CB 1.377 69.942 68.868 -0.505 0.000 1.103 450 T HN 0.662 nan 8.240 nan 0.000 0.486 451 E N 1.601 121.755 120.200 -0.077 0.000 2.343 451 E HA 0.369 4.719 4.350 -0.000 0.000 0.269 451 E C -0.187 176.371 176.600 -0.070 0.000 1.047 451 E CA -1.058 55.346 56.400 0.007 0.000 0.874 451 E CB 1.280 31.105 29.700 0.208 0.000 1.033 451 E HN 0.650 nan 8.360 nan 0.000 0.409 452 R N 1.769 122.185 120.500 -0.140 0.000 2.357 452 R HA 0.228 4.568 4.340 -0.000 0.000 0.296 452 R C -0.645 175.616 176.300 -0.065 0.000 1.052 452 R CA -0.576 55.458 56.100 -0.110 0.000 0.988 452 R CB 0.697 30.908 30.300 -0.148 0.000 1.025 452 R HN 0.513 nan 8.270 nan 0.000 0.469 453 R N 3.156 123.707 120.500 0.084 0.000 2.621 453 R HA 0.323 4.663 4.340 -0.000 0.000 0.292 453 R C -0.958 175.505 176.300 0.271 0.000 0.969 453 R CA -0.725 55.501 56.100 0.209 0.000 0.887 453 R CB 2.109 32.631 30.300 0.370 0.000 1.180 453 R HN 0.736 nan 8.270 nan 0.000 0.450 454 E N 1.623 121.863 120.200 0.067 0.000 2.256 454 E HA 0.394 4.744 4.350 -0.000 0.000 0.267 454 E C -0.970 175.384 176.600 -0.411 0.000 0.892 454 E CA -1.114 55.189 56.400 -0.162 0.000 0.775 454 E CB 2.669 32.154 29.700 -0.358 0.000 1.207 454 E HN 0.119 nan 8.360 nan 0.000 0.420 455 L N 2.754 123.496 121.223 -0.801 0.000 2.296 455 L HA 0.403 4.743 4.340 -0.000 0.000 0.286 455 L C -1.404 175.086 176.870 -0.633 0.000 1.023 455 L CA -0.606 53.621 54.840 -1.021 0.000 0.812 455 L CB 1.444 42.458 42.059 -1.742 0.000 1.223 455 L HN 0.302 nan 8.230 nan 0.000 0.421 456 V N 5.587 125.037 119.914 -0.773 0.000 2.513 456 V HA 0.534 4.654 4.120 -0.000 0.000 0.299 456 V C -0.461 175.268 176.094 -0.609 0.000 1.035 456 V CA -0.737 61.113 62.300 -0.751 0.000 0.889 456 V CB 1.894 32.983 31.823 -1.223 0.000 0.988 456 V HN 0.491 nan 8.190 nan 0.000 0.440 457 V N 5.359 125.139 119.914 -0.224 0.000 2.357 457 V HA 0.543 4.663 4.120 -0.000 0.000 0.284 457 V C 0.008 176.182 176.094 0.133 0.000 1.018 457 V CA -0.601 61.675 62.300 -0.038 0.000 0.841 457 V CB 1.442 33.306 31.823 0.069 0.000 0.991 457 V HN 0.886 nan 8.190 nan 0.000 0.437 458 R N 3.827 124.443 120.500 0.194 0.000 2.494 458 R HA 0.568 4.908 4.340 -0.000 0.000 0.305 458 R C -1.898 174.664 176.300 0.436 0.000 0.959 458 R CA -0.573 55.735 56.100 0.346 0.000 0.864 458 R CB 1.730 32.269 30.300 0.399 0.000 1.159 458 R HN 0.685 nan 8.270 nan 0.000 0.446 459 W N 6.648 128.114 121.300 0.276 0.000 3.022 459 W HA 0.562 5.222 4.660 -0.000 0.000 0.335 459 W C -1.884 174.811 176.519 0.294 0.000 1.133 459 W CA -0.816 56.679 57.345 0.251 0.000 1.219 459 W CB 1.169 30.774 29.460 0.242 0.000 1.409 459 W HN 0.423 nan 8.180 nan 0.000 0.507 460 I N 5.229 125.490 120.570 -0.514 0.000 2.465 460 I HA 0.411 4.581 4.170 -0.000 0.000 0.291 460 I C -0.276 175.371 176.117 -0.783 0.000 1.014 460 I CA -0.949 60.028 61.300 -0.539 0.000 1.093 460 I CB 1.955 39.823 38.000 -0.220 0.000 1.267 460 I HN 0.356 nan 8.210 nan 0.000 0.431 461 S N 3.326 118.641 115.700 -0.641 0.000 2.526 461 S HA 0.645 5.115 4.470 -0.000 0.000 0.293 461 S C -0.757 173.768 174.600 -0.127 0.000 1.092 461 S CA -0.300 57.685 58.200 -0.358 0.000 0.980 461 S CB 1.735 64.719 63.200 -0.360 0.000 1.048 461 S HN 0.582 nan 8.310 nan 0.000 0.483 462 T N 3.630 118.143 114.554 -0.067 0.000 2.833 462 T HA 0.496 4.846 4.350 -0.000 0.000 0.297 462 T C -1.061 173.624 174.700 -0.026 0.000 1.015 462 T CA -0.433 61.613 62.100 -0.090 0.000 0.963 462 T CB 1.055 69.850 68.868 -0.123 0.000 0.955 462 T HN 0.439 nan 8.240 nan 0.000 0.449 463 V N 3.574 123.470 119.914 -0.029 0.000 2.350 463 V HA 0.683 4.803 4.120 -0.000 0.000 0.285 463 V C 1.215 177.241 176.094 -0.113 0.000 1.014 463 V CA 0.031 62.316 62.300 -0.025 0.000 0.831 463 V CB 0.474 32.321 31.823 0.040 0.000 1.000 463 V HN 1.168 nan 8.190 nan 0.000 0.433 464 G N 5.829 114.641 108.800 0.019 0.000 2.672 464 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.332 464 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.332 464 G C 0.385 175.154 174.900 -0.218 0.000 1.213 464 G CA 0.729 45.920 45.100 0.152 0.000 0.980 464 G HN 0.934 nan 8.290 nan 0.000 0.548 468 Y N 0.965 121.101 120.300 -0.274 0.000 2.360 468 Y HA 0.659 5.209 4.550 -0.000 0.000 0.337 468 Y C 0.140 175.751 175.900 -0.481 0.000 1.039 468 Y CA -0.819 57.062 58.100 -0.367 0.000 1.109 468 Y CB 1.309 39.690 38.460 -0.133 0.000 1.201 468 Y HN 0.259 nan 8.280 nan 0.000 0.458 469 I N 4.258 124.514 120.570 -0.522 0.000 2.406 469 I HA 0.370 4.540 4.170 -0.000 0.000 0.290 469 I C -1.284 174.506 176.117 -0.544 0.000 0.999 469 I CA -0.592 60.469 61.300 -0.399 0.000 1.124 469 I CB 1.026 38.807 38.000 -0.364 0.000 1.289 469 I HN 0.350 nan 8.210 nan 0.000 0.441 470 F N 3.541 123.584 119.950 0.156 0.000 2.467 470 F HA 0.441 4.968 4.527 -0.000 0.000 0.336 470 F C -0.226 175.764 175.800 0.316 0.000 1.123 470 F CA -0.780 57.383 58.000 0.271 0.000 0.964 470 F CB 1.324 40.639 39.000 0.525 0.000 1.136 470 F HN 0.321 nan 8.300 nan 0.000 0.447 471 D N 2.348 122.917 120.400 0.281 0.000 2.391 471 D HA 0.250 4.890 4.640 -0.000 0.000 0.245 471 D C -1.311 174.905 176.300 -0.140 0.000 1.069 471 D CA -0.264 53.824 54.000 0.147 0.000 0.831 471 D CB 1.181 42.003 40.800 0.036 0.000 1.204 471 D HN 0.317 nan 8.370 nan 0.000 0.503 472 W N 2.588 123.796 121.300 -0.152 0.000 2.349 472 W HA 0.514 5.174 4.660 -0.000 0.000 0.309 472 W C -0.126 176.089 176.519 -0.507 0.000 1.083 472 W CA -0.575 56.547 57.345 -0.371 0.000 1.224 472 W CB 0.606 29.853 29.460 -0.355 0.000 1.256 472 W HN 0.131 nan 8.180 nan 0.000 0.461 473 I N 4.194 124.459 120.570 -0.508 0.000 2.389 473 I HA 0.358 4.528 4.170 -0.000 0.000 0.288 473 I C -0.892 174.868 176.117 -0.595 0.000 0.999 473 I CA -0.833 60.194 61.300 -0.455 0.000 1.129 473 I CB 0.828 38.634 38.000 -0.324 0.000 1.288 473 I HN 0.084 nan 8.210 nan 0.000 0.444 474 F N 4.435 124.152 119.950 -0.388 0.000 2.411 474 F HA 0.424 4.951 4.527 -0.000 0.000 0.352 474 F C 0.649 176.483 175.800 0.057 0.000 1.123 474 F CA -0.488 57.298 58.000 -0.356 0.000 1.044 474 F CB 0.667 39.176 39.000 -0.819 0.000 1.135 474 F HN 0.375 nan 8.300 nan 0.000 0.461 475 H N 2.716 122.017 119.070 0.384 0.000 2.487 475 H HA 0.140 4.696 4.556 -0.000 0.000 0.333 475 H C 0.692 176.524 175.328 0.839 0.000 1.114 475 H CA -0.354 56.002 56.048 0.513 0.000 1.310 475 H CB 1.494 31.436 29.762 0.301 0.000 1.462 475 H HN 0.748 nan 8.280 nan 0.000 0.516 476 E N 1.456 122.087 120.200 0.719 0.000 2.171 476 E HA -0.195 4.155 4.350 -0.000 0.000 0.197 476 E C 1.092 177.911 176.600 0.366 0.000 0.997 476 E CA 1.097 57.749 56.400 0.420 0.000 0.810 476 E CB -0.007 29.779 29.700 0.142 0.000 0.738 476 E HN 0.664 nan 8.360 nan 0.000 0.467 477 N N -0.951 117.952 118.700 0.337 0.000 2.421 477 N HA -0.001 4.739 4.740 -0.000 0.000 0.201 477 N C 1.109 176.690 175.510 0.119 0.000 1.198 477 N CA 0.492 53.624 53.050 0.137 0.000 0.838 477 N CB 0.805 39.345 38.487 0.087 0.000 1.011 477 N HN 0.148 nan 8.380 nan 0.000 0.463 478 G N 0.134 109.190 108.800 0.427 0.000 2.258 478 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.233 478 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.233 478 G C 0.282 175.592 174.900 0.683 0.000 1.006 478 G CA 0.297 45.658 45.100 0.435 0.000 0.620 478 G HN 0.434 nan 8.290 nan 0.000 0.511 479 T N 1.836 116.623 114.554 0.388 0.000 2.932 479 T HA 0.512 4.862 4.350 -0.000 0.000 0.312 479 T C 0.480 175.315 174.700 0.224 0.000 1.071 479 T CA 0.559 62.745 62.100 0.144 0.000 1.128 479 T CB 1.171 69.824 68.868 -0.360 0.000 0.984 479 T HN 0.385 nan 8.240 nan 0.000 0.549 480 I N 1.835 122.439 120.570 0.057 0.000 2.436 480 I HA 0.503 4.673 4.170 -0.000 0.000 0.289 480 I C 0.695 176.674 176.117 -0.230 0.000 1.010 480 I CA -0.854 60.335 61.300 -0.185 0.000 1.098 480 I CB 1.909 39.723 38.000 -0.309 0.000 1.266 480 I HN 0.697 nan 8.210 nan 0.000 0.434 481 G N 6.438 115.091 108.800 -0.245 0.000 2.417 481 G HA2 0.820 4.780 3.960 -0.000 0.000 0.334 481 G HA3 0.820 4.780 3.960 -0.000 0.000 0.334 481 G C -0.914 173.697 174.900 -0.482 0.000 1.150 481 G CA -0.494 44.450 45.100 -0.260 0.000 0.923 481 G HN 0.504 nan 8.290 nan 0.000 0.485 482 I N 1.428 121.662 120.570 -0.560 0.000 2.468 482 I HA 0.260 4.430 4.170 -0.000 0.000 0.285 482 I C -1.331 174.459 176.117 -0.545 0.000 1.039 482 I CA -0.754 60.024 61.300 -0.870 0.000 1.074 482 I CB 2.240 39.397 38.000 -1.406 0.000 1.228 482 I HN 0.219 nan 8.210 nan 0.000 0.436 483 D N 5.307 125.492 120.400 -0.358 0.000 2.248 483 D HA 0.703 5.343 4.640 -0.000 0.000 0.246 483 D C -0.543 175.717 176.300 -0.066 0.000 1.027 483 D CA -0.247 53.678 54.000 -0.126 0.000 0.853 483 D CB 2.383 43.176 40.800 -0.011 0.000 1.243 483 D HN 0.552 nan 8.370 nan 0.000 0.462 484 A N 1.196 123.913 122.820 -0.172 0.000 2.335 484 A HA 0.727 5.047 4.320 -0.000 0.000 0.304 484 A C 0.121 177.317 177.584 -0.645 0.000 1.118 484 A CA -0.659 51.017 52.037 -0.601 0.000 0.757 484 A CB 1.287 19.630 19.000 -1.095 0.000 1.188 484 A HN 0.479 nan 8.150 nan 0.000 0.460 485 G N 0.531 108.716 108.800 -1.024 0.000 2.420 485 G HA2 0.743 4.703 3.960 -0.000 0.000 0.331 485 G HA3 0.743 4.703 3.960 -0.000 0.000 0.331 485 G C -0.473 173.902 174.900 -0.875 0.000 1.168 485 G CA -0.009 44.193 45.100 -1.496 0.000 0.936 485 G HN 1.569 nan 8.290 nan 0.000 0.479 486 A N 0.772 123.159 122.820 -0.722 0.000 2.374 486 A HA 0.892 5.211 4.320 -0.000 0.000 0.305 486 A C -0.172 177.100 177.584 -0.519 0.000 1.053 486 A CA -0.352 51.366 52.037 -0.532 0.000 0.726 486 A CB 2.126 20.863 19.000 -0.437 0.000 1.229 486 A HN 1.124 nan 8.150 nan 0.000 0.431 487 T N 0.384 114.634 114.554 -0.507 0.000 2.618 487 T HA 0.845 5.195 4.350 -0.000 0.000 0.293 487 T C 0.318 174.762 174.700 -0.427 0.000 1.093 487 T CA 0.997 62.858 62.100 -0.398 0.000 1.061 487 T CB 0.921 69.576 68.868 -0.355 0.000 1.498 487 T HN 2.756 nan 8.240 nan 0.000 0.494 488 G N 0.464 109.022 108.800 -0.404 0.000 2.428 488 G HA2 0.057 4.017 3.960 -0.000 0.000 0.202 488 G HA3 0.057 4.017 3.960 -0.000 0.000 0.202 488 G C -1.482 173.142 174.900 -0.460 0.000 1.247 488 G CA -0.255 44.550 45.100 -0.493 0.000 1.020 488 G HN 0.888 nan 8.290 nan 0.000 0.529 489 I N 1.441 121.677 120.570 -0.557 0.000 2.378 489 I HA 0.365 4.535 4.170 -0.000 0.000 0.291 489 I C 0.457 176.404 176.117 -0.282 0.000 0.992 489 I CA -1.008 60.009 61.300 -0.471 0.000 1.154 489 I CB 1.240 38.801 38.000 -0.730 0.000 1.315 489 I HN 0.534 nan 8.210 nan 0.000 0.448 490 E N 3.854 124.082 120.200 0.047 0.000 2.442 490 E HA 0.169 4.519 4.350 -0.000 0.000 0.262 490 E C 0.128 176.800 176.600 0.120 0.000 1.004 490 E CA -0.130 56.337 56.400 0.112 0.000 0.928 490 E CB 1.002 30.836 29.700 0.223 0.000 0.937 490 E HN 0.649 nan 8.360 nan 0.000 0.446 491 A N 3.014 125.877 122.820 0.071 0.000 2.444 491 A HA 0.301 4.621 4.320 -0.000 0.000 0.273 491 A C 0.315 178.096 177.584 0.327 0.000 1.136 491 A CA -0.479 51.691 52.037 0.222 0.000 0.799 491 A CB -0.141 18.938 19.000 0.131 0.000 1.081 491 A HN 0.401 nan 8.150 nan 0.000 0.509 492 V N 0.588 120.743 119.914 0.402 0.000 2.864 492 V HA 0.714 4.834 4.120 -0.000 0.000 0.314 492 V C -0.309 176.017 176.094 0.388 0.000 1.073 492 V CA -1.127 61.305 62.300 0.219 0.000 0.956 492 V CB 1.761 33.519 31.823 -0.109 0.000 1.023 492 V HN 0.838 nan 8.190 nan 0.000 0.435 493 K N 1.993 122.482 120.400 0.148 0.000 2.206 493 K HA 0.656 4.976 4.320 -0.000 0.000 0.264 493 K C 0.227 176.882 176.600 0.092 0.000 0.967 493 K CA -0.230 56.182 56.287 0.209 0.000 0.844 493 K CB 1.474 33.916 32.500 -0.097 0.000 1.099 493 K HN 1.209 nan 8.250 nan 0.000 0.441 494 G N 2.437 111.317 108.800 0.133 0.000 2.380 494 G HA2 0.418 4.378 3.960 -0.000 0.000 0.262 494 G HA3 0.418 4.378 3.960 -0.000 0.000 0.262 494 G C -0.506 174.427 174.900 0.056 0.000 1.243 494 G CA -0.396 44.752 45.100 0.081 0.000 0.865 494 G HN 0.464 nan 8.290 nan 0.000 0.513 495 V N 0.112 120.044 119.914 0.029 0.000 3.130 495 V HA 0.573 4.693 4.120 -0.000 0.000 0.310 495 V C 0.779 176.887 176.094 0.022 0.000 1.158 495 V CA -1.159 61.151 62.300 0.017 0.000 1.029 495 V CB 2.101 33.916 31.823 -0.015 0.000 1.057 495 V HN 0.651 nan 8.190 nan 0.000 0.436 496 K N 1.275 121.686 120.400 0.018 0.000 2.155 496 K HA 0.288 4.608 4.320 -0.000 0.000 0.203 496 K C 1.085 177.698 176.600 0.021 0.000 1.052 496 K CA 1.212 57.512 56.287 0.021 0.000 0.948 496 K CB -0.040 32.469 32.500 0.015 0.000 0.728 496 K HN 0.966 nan 8.250 nan 0.000 0.448 497 A N 1.994 124.821 122.820 0.011 0.000 2.520 497 A HA -0.005 4.315 4.320 -0.000 0.000 0.245 497 A C 0.679 178.288 177.584 0.042 0.000 1.072 497 A CA 0.256 52.302 52.037 0.015 0.000 0.761 497 A CB 0.333 19.328 19.000 -0.007 0.000 1.004 497 A HN 0.181 nan 8.150 nan 0.000 0.499 498 K N 0.475 120.913 120.400 0.064 0.000 2.244 498 K HA 0.062 4.382 4.320 -0.000 0.000 0.200 498 K C 0.767 177.501 176.600 0.223 0.000 1.052 498 K CA 1.413 57.786 56.287 0.144 0.000 0.980 498 K CB 0.205 32.724 32.500 0.030 0.000 0.838 498 K HN 0.905 nan 8.250 nan 0.000 0.481 499 T N -2.740 111.878 114.554 0.107 0.000 2.864 499 T HA 0.266 4.616 4.350 -0.000 0.000 0.289 499 T C 0.801 175.471 174.700 -0.051 0.000 1.082 499 T CA -0.827 61.306 62.100 0.054 0.000 1.009 499 T CB 1.293 70.215 68.868 0.090 0.000 1.234 499 T HN -0.281 nan 8.240 nan 0.000 0.526 500 M N 0.735 120.226 119.600 -0.181 0.000 2.549 500 M HA -0.005 4.475 4.480 -0.000 0.000 0.260 500 M C 1.568 177.704 176.300 -0.273 0.000 1.076 500 M CA 1.165 56.317 55.300 -0.246 0.000 1.090 500 M CB -1.460 30.955 32.600 -0.309 0.000 1.418 500 M HN 0.645 nan 8.290 nan 0.000 0.486 501 H N -0.542 118.534 119.070 0.009 0.000 2.512 501 H HA 0.120 4.676 4.556 -0.000 0.000 0.279 501 H C 0.149 175.478 175.328 0.001 0.000 0.999 501 H CA 0.079 56.130 56.048 0.004 0.000 1.283 501 H CB -0.090 29.677 29.762 0.008 0.000 1.421 501 H HN 0.255 nan 8.280 nan 0.000 0.554 502 D N 1.157 121.603 120.400 0.078 0.000 2.362 502 D HA -0.036 4.604 4.640 -0.000 0.000 0.238 502 D C 1.352 177.666 176.300 0.024 0.000 1.212 502 D CA 0.131 54.159 54.000 0.046 0.000 0.902 502 D CB 1.148 41.965 40.800 0.029 0.000 1.180 502 D HN 0.290 nan 8.370 nan 0.000 0.445 503 E N -0.524 119.687 120.200 0.017 0.000 2.107 503 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 503 E C 1.580 178.177 176.600 -0.005 0.000 0.982 503 E CA 1.099 57.504 56.400 0.007 0.000 0.809 503 E CB 0.030 29.734 29.700 0.007 0.000 0.756 503 E HN 0.554 nan 8.360 nan 0.000 0.459 504 T N -1.424 113.126 114.554 -0.007 0.000 3.148 504 T HA 0.251 4.601 4.350 -0.000 0.000 0.253 504 T C 1.892 176.573 174.700 -0.032 0.000 1.134 504 T CA 0.438 62.528 62.100 -0.017 0.000 1.051 504 T CB 0.220 69.082 68.868 -0.010 0.000 0.959 504 T HN 0.106 nan 8.240 nan 0.000 0.525 505 A N 2.906 125.707 122.820 -0.032 0.000 1.903 505 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 505 A C 2.333 179.873 177.584 -0.074 0.000 1.191 505 A CA 2.255 54.261 52.037 -0.052 0.000 0.638 505 A CB -0.784 18.181 19.000 -0.057 0.000 0.823 505 A HN 0.665 nan 8.150 nan 0.000 0.451 506 K N -0.686 119.673 120.400 -0.069 0.000 2.057 506 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 506 K C 1.182 177.711 176.600 -0.119 0.000 1.050 506 K CA 1.772 58.006 56.287 -0.088 0.000 0.935 506 K CB -0.212 32.246 32.500 -0.070 0.000 0.715 506 K HN 0.341 nan 8.250 nan 0.000 0.439 507 D N 0.933 121.273 120.400 -0.100 0.000 2.224 507 D HA -0.111 4.529 4.640 -0.000 0.000 0.205 507 D C 1.249 177.467 176.300 -0.137 0.000 0.965 507 D CA 0.879 54.806 54.000 -0.120 0.000 0.852 507 D CB -0.166 40.594 40.800 -0.067 0.000 0.947 507 D HN 0.298 nan 8.370 nan 0.000 0.494 508 D N -0.243 120.095 120.400 -0.103 0.000 2.183 508 D HA -0.073 4.567 4.640 -0.000 0.000 0.203 508 D C 1.722 177.944 176.300 -0.129 0.000 0.969 508 D CA 1.135 55.081 54.000 -0.090 0.000 0.842 508 D CB -0.069 40.692 40.800 -0.064 0.000 0.957 508 D HN 0.289 nan 8.370 nan 0.000 0.484 509 T N -2.476 111.984 114.554 -0.157 0.000 3.186 509 T HA 0.191 4.541 4.350 -0.000 0.000 0.257 509 T C 1.505 176.052 174.700 -0.254 0.000 1.029 509 T CA -0.429 61.568 62.100 -0.173 0.000 0.916 509 T CB 0.527 69.313 68.868 -0.137 0.000 1.041 509 T HN -0.046 nan 8.240 nan 0.000 0.562 510 R N 0.336 120.593 120.500 -0.406 0.000 2.127 510 R HA -0.079 4.261 4.340 -0.000 0.000 0.238 510 R C 0.427 176.294 176.300 -0.722 0.000 1.134 510 R CA 1.442 57.146 56.100 -0.659 0.000 0.975 510 R CB -0.119 29.570 30.300 -1.018 0.000 0.865 510 R HN 0.560 nan 8.270 nan 0.000 0.447 511 Y N -1.513 118.710 120.300 -0.128 0.000 2.660 511 Y HA 0.493 5.043 4.550 -0.000 0.000 0.254 511 Y C 0.474 176.275 175.900 -0.166 0.000 1.176 511 Y CA -0.011 58.002 58.100 -0.146 0.000 1.195 511 Y CB 1.419 39.774 38.460 -0.175 0.000 1.190 511 Y HN 0.132 nan 8.280 nan 0.000 0.535 512 G N -0.956 107.796 108.800 -0.081 0.000 2.368 512 G HA2 0.348 4.308 3.960 -0.000 0.000 0.293 512 G HA3 0.348 4.308 3.960 -0.000 0.000 0.293 512 G C -1.231 173.602 174.900 -0.112 0.000 1.467 512 G CA -0.936 44.106 45.100 -0.097 0.000 0.804 512 G HN -0.186 nan 8.290 nan 0.000 0.535 513 T N 0.572 115.065 114.554 -0.102 0.000 2.910 513 T HA 0.422 4.772 4.350 -0.000 0.000 0.293 513 T C 0.180 174.807 174.700 -0.121 0.000 1.015 513 T CA -0.188 61.854 62.100 -0.096 0.000 1.094 513 T CB 1.465 70.293 68.868 -0.066 0.000 0.968 513 T HN 0.533 nan 8.240 nan 0.000 0.521 514 L N 4.755 125.909 121.223 -0.115 0.000 2.385 514 L HA 0.325 4.665 4.340 -0.000 0.000 0.281 514 L C 0.818 177.605 176.870 -0.139 0.000 1.106 514 L CA 0.221 54.983 54.840 -0.130 0.000 0.856 514 L CB -0.293 41.702 42.059 -0.106 0.000 1.186 514 L HN 0.731 nan 8.230 nan 0.000 0.453 515 I N -0.211 120.235 120.570 -0.205 0.000 4.187 515 I HA 0.475 4.645 4.170 -0.000 0.000 0.326 515 I C 0.009 175.977 176.117 -0.247 0.000 1.302 515 I CA -0.019 61.163 61.300 -0.196 0.000 1.196 515 I CB 0.517 38.406 38.000 -0.185 0.000 1.095 515 I HN 0.417 nan 8.210 nan 0.000 0.411 516 D N -0.031 120.164 120.400 -0.342 0.000 2.626 516 D HA 0.334 4.974 4.640 -0.000 0.000 0.278 516 D C -1.038 175.133 176.300 -0.215 0.000 1.211 516 D CA -0.554 53.280 54.000 -0.276 0.000 0.903 516 D CB 1.498 42.164 40.800 -0.223 0.000 1.408 516 D HN 0.130 nan 8.370 nan 0.000 0.454 517 H N 0.936 120.009 119.070 0.005 0.000 3.046 517 H HA 0.165 4.721 4.556 -0.000 0.000 0.303 517 H C 0.310 175.638 175.328 -0.000 0.000 1.002 517 H CA 0.818 56.872 56.048 0.011 0.000 1.460 517 H CB -0.127 29.663 29.762 0.046 0.000 1.493 517 H HN 0.376 nan 8.280 nan 0.000 0.559 518 N N 0.916 119.674 118.700 0.096 0.000 2.878 518 N HA -0.199 4.541 4.740 -0.000 0.000 0.247 518 N C -1.118 174.383 175.510 -0.015 0.000 1.021 518 N CA 0.803 53.881 53.050 0.047 0.000 0.873 518 N CB -0.989 37.550 38.487 0.086 0.000 1.128 518 N HN 0.449 nan 8.380 nan 0.000 0.571 519 I N 0.701 121.211 120.570 -0.101 0.000 2.439 519 I HA 0.369 4.539 4.170 -0.000 0.000 0.285 519 I C -0.566 175.389 176.117 -0.269 0.000 1.021 519 I CA -0.856 60.307 61.300 -0.229 0.000 1.091 519 I CB 1.827 39.573 38.000 -0.423 0.000 1.242 519 I HN -0.223 nan 8.210 nan 0.000 0.439 520 V N 5.161 124.946 119.914 -0.216 0.000 2.417 520 V HA 0.492 4.612 4.120 -0.000 0.000 0.291 520 V C 0.646 176.603 176.094 -0.228 0.000 1.024 520 V CA -0.585 61.590 62.300 -0.209 0.000 0.861 520 V CB 1.744 33.467 31.823 -0.167 0.000 0.985 520 V HN 0.848 nan 8.190 nan 0.000 0.436 521 G N 3.001 111.672 108.800 -0.214 0.000 2.519 521 G HA2 0.324 4.284 3.960 -0.000 0.000 0.306 521 G HA3 0.324 4.284 3.960 -0.000 0.000 0.306 521 G C 0.254 175.080 174.900 -0.124 0.000 0.965 521 G CA -0.127 44.880 45.100 -0.155 0.000 1.291 521 G HN 0.639 nan 8.290 nan 0.000 0.450 522 T N 2.588 117.057 114.554 -0.142 0.000 2.853 522 T HA 0.157 4.507 4.350 -0.000 0.000 0.298 522 T C 1.098 175.852 174.700 0.089 0.000 0.978 522 T CA 0.232 62.246 62.100 -0.143 0.000 1.152 522 T CB 0.610 69.209 68.868 -0.449 0.000 0.914 522 T HN 0.430 nan 8.240 nan 0.000 0.539 523 T N 5.659 120.229 114.554 0.026 0.000 2.934 523 T HA 0.168 4.518 4.350 -0.000 0.000 0.306 523 T C 0.311 175.042 174.700 0.052 0.000 1.042 523 T CA 0.089 62.191 62.100 0.003 0.000 1.145 523 T CB -0.108 68.732 68.868 -0.046 0.000 0.982 523 T HN 0.853 nan 8.240 nan 0.000 0.544 524 H N 0.376 119.281 119.070 -0.274 0.000 2.883 524 H HA 0.477 5.033 4.556 -0.000 0.000 0.277 524 H C -1.414 173.708 175.328 -0.344 0.000 1.451 524 H CA -1.112 54.674 56.048 -0.437 0.000 1.157 524 H CB 1.020 30.156 29.762 -1.043 0.000 1.851 524 H HN 0.528 nan 8.280 nan 0.000 0.566 525 Q N 0.072 119.664 119.800 -0.347 0.000 2.413 525 Q HA 0.357 4.697 4.340 -0.000 0.000 0.276 525 Q C -1.056 174.750 176.000 -0.324 0.000 1.099 525 Q CA -0.970 54.660 55.803 -0.288 0.000 0.814 525 Q CB 2.668 31.343 28.738 -0.104 0.000 1.379 525 Q HN 0.485 nan 8.270 nan 0.000 0.436 526 H N 1.712 120.741 119.070 -0.069 0.000 2.551 526 H HA 0.457 5.013 4.556 -0.000 0.000 0.321 526 H C -0.872 174.292 175.328 -0.274 0.000 1.028 526 H CA -0.255 55.699 56.048 -0.156 0.000 1.215 526 H CB 0.664 30.392 29.762 -0.058 0.000 1.414 526 H HN 0.454 nan 8.280 nan 0.000 0.480 527 I N 4.724 125.149 120.570 -0.241 0.000 2.439 527 I HA 0.188 4.358 4.170 -0.000 0.000 0.285 527 I C -0.913 175.111 176.117 -0.156 0.000 1.021 527 I CA -0.676 60.550 61.300 -0.124 0.000 1.091 527 I CB 1.031 39.025 38.000 -0.011 0.000 1.242 527 I HN 0.353 nan 8.210 nan 0.000 0.439 528 Y N 4.190 124.595 120.300 0.175 0.000 2.360 528 Y HA 0.461 5.011 4.550 -0.000 0.000 0.337 528 Y C 0.070 175.957 175.900 -0.021 0.000 1.039 528 Y CA -0.801 57.319 58.100 0.033 0.000 1.109 528 Y CB 1.468 39.948 38.460 0.033 0.000 1.201 528 Y HN 0.501 nan 8.280 nan 0.000 0.458 529 N N 1.987 120.651 118.700 -0.060 0.000 2.354 529 N HA 0.526 5.266 4.740 -0.000 0.000 0.287 529 N C -2.039 173.285 175.510 -0.309 0.000 1.016 529 N CA -0.447 52.580 53.050 -0.039 0.000 0.871 529 N CB 0.827 39.314 38.487 0.000 0.000 1.299 529 N HN 0.355 nan 8.380 nan 0.000 0.482 530 F N 1.536 121.614 119.950 0.213 0.000 2.436 530 F HA 0.447 4.974 4.527 0.000 0.000 0.340 530 F C 0.773 176.608 175.800 0.059 0.000 1.113 530 F CA -0.828 57.250 58.000 0.130 0.000 1.022 530 F CB 1.441 40.478 39.000 0.062 0.000 1.128 530 F HN 0.288 nan 8.300 nan 0.000 0.466 531 R N 4.557 125.091 120.500 0.057 0.000 2.196 531 R HA 0.576 4.916 4.340 -0.000 0.000 0.340 531 R C -1.640 174.517 176.300 -0.237 0.000 1.043 531 R CA -0.321 55.525 56.100 -0.424 0.000 0.883 531 R CB 0.269 30.151 30.300 -0.697 0.000 1.078 531 R HN 0.772 nan 8.270 nan 0.000 0.462 532 L N 4.526 125.596 121.223 -0.254 0.000 2.366 532 L HA 0.241 4.581 4.340 -0.000 0.000 0.266 532 L C -0.451 176.354 176.870 -0.108 0.000 1.010 532 L CA -0.771 54.014 54.840 -0.092 0.000 0.879 532 L CB 1.647 43.702 42.059 -0.007 0.000 1.228 532 L HN 0.535 nan 8.230 nan 0.000 0.439 533 D N 4.365 124.722 120.400 -0.072 0.000 2.600 533 D HA 0.173 4.813 4.640 -0.000 0.000 0.226 533 D C 0.141 176.493 176.300 0.087 0.000 1.119 533 D CA -0.021 53.997 54.000 0.030 0.000 1.051 533 D CB 0.131 41.003 40.800 0.120 0.000 1.106 533 D HN 0.322 nan 8.370 nan 0.000 0.491 534 L N 1.864 123.120 121.223 0.055 0.000 2.485 534 L HA 0.126 4.466 4.340 -0.000 0.000 0.275 534 L C 0.306 177.243 176.870 0.112 0.000 1.207 534 L CA 0.336 55.212 54.840 0.059 0.000 0.855 534 L CB 0.517 42.580 42.059 0.007 0.000 1.114 534 L HN 0.117 nan 8.230 nan 0.000 0.485 535 D N 2.235 122.726 120.400 0.151 0.000 2.378 535 D HA 0.185 4.825 4.640 -0.000 0.000 0.265 535 D C -0.578 175.785 176.300 0.105 0.000 1.229 535 D CA -0.221 53.864 54.000 0.141 0.000 0.914 535 D CB 1.643 42.582 40.800 0.232 0.000 1.140 535 D HN 0.022 nan 8.370 nan 0.000 0.516 536 V N 2.709 122.690 119.914 0.111 0.000 2.377 536 V HA 0.013 4.133 4.120 -0.000 0.000 0.254 536 V C 0.945 177.176 176.094 0.228 0.000 1.060 536 V CA 0.045 62.470 62.300 0.208 0.000 1.068 536 V CB 0.198 32.170 31.823 0.249 0.000 1.113 536 V HN 0.551 nan 8.190 nan 0.000 0.484 537 D N 3.488 124.045 120.400 0.262 0.000 2.983 537 D HA -0.146 4.494 4.640 -0.000 0.000 0.225 537 D C 0.371 176.636 176.300 -0.058 0.000 1.174 537 D CA 1.787 55.830 54.000 0.070 0.000 0.831 537 D CB -0.937 39.822 40.800 -0.068 0.000 1.104 537 D HN 1.163 nan 8.370 nan 0.000 0.421 538 G N -1.621 107.131 108.800 -0.080 0.000 2.353 538 G HA2 0.199 4.159 3.960 -0.000 0.000 0.308 538 G HA3 0.199 4.159 3.960 -0.000 0.000 0.308 538 G C 0.164 175.020 174.900 -0.073 0.000 1.418 538 G CA 0.096 45.115 45.100 -0.135 0.000 0.966 538 G HN -0.004 nan 8.290 nan 0.000 0.638 539 E N 0.010 120.163 120.200 -0.078 0.000 2.152 539 E HA 0.018 4.368 4.350 -0.000 0.000 0.192 539 E C 0.989 177.590 176.600 0.002 0.000 0.983 539 E CA 0.525 56.908 56.400 -0.028 0.000 0.818 539 E CB 0.059 29.728 29.700 -0.052 0.000 0.758 539 E HN 0.375 nan 8.360 nan 0.000 0.467 540 N N 2.419 121.116 118.700 -0.005 0.000 2.399 540 N HA 0.080 4.820 4.740 -0.000 0.000 0.259 540 N C -0.694 174.832 175.510 0.028 0.000 1.160 540 N CA 0.188 53.246 53.050 0.013 0.000 0.946 540 N CB 0.376 38.865 38.487 0.003 0.000 1.156 540 N HN 0.073 nan 8.380 nan 0.000 0.489 541 N N 0.019 118.746 118.700 0.045 0.000 2.509 541 N HA 0.469 5.209 4.740 -0.000 0.000 0.280 541 N C -0.742 174.802 175.510 0.057 0.000 1.306 541 N CA -0.426 52.658 53.050 0.056 0.000 0.782 541 N CB 1.616 40.146 38.487 0.072 0.000 1.493 541 N HN 0.176 nan 8.380 nan 0.000 0.498 542 S N 0.077 115.809 115.700 0.054 0.000 2.627 542 S HA 0.569 5.038 4.470 -0.000 0.000 0.283 542 S C -1.370 173.254 174.600 0.040 0.000 1.127 542 S CA -0.537 57.692 58.200 0.048 0.000 0.863 542 S CB 1.938 65.160 63.200 0.037 0.000 1.121 542 S HN 0.407 nan 8.310 nan 0.000 0.479 543 L N 2.604 123.847 121.223 0.033 0.000 2.298 543 L HA 0.691 5.031 4.340 -0.000 0.000 0.284 543 L C -1.357 175.492 176.870 -0.034 0.000 1.013 543 L CA -0.293 54.555 54.840 0.014 0.000 0.824 543 L CB 0.938 43.020 42.059 0.039 0.000 1.221 543 L HN 0.444 nan 8.230 nan 0.000 0.418 544 V N 4.737 124.602 119.914 -0.081 0.000 2.459 544 V HA 0.826 4.946 4.120 -0.000 0.000 0.295 544 V C 0.245 176.185 176.094 -0.256 0.000 1.029 544 V CA -0.535 61.671 62.300 -0.156 0.000 0.874 544 V CB 1.426 33.169 31.823 -0.132 0.000 0.985 544 V HN 0.921 nan 8.190 nan 0.000 0.438 545 A N 6.100 128.653 122.820 -0.444 0.000 2.312 545 A HA 0.912 5.232 4.320 -0.000 0.000 0.326 545 A C -0.416 176.881 177.584 -0.479 0.000 1.172 545 A CA -0.553 51.151 52.037 -0.554 0.000 0.821 545 A CB 0.808 19.218 19.000 -0.985 0.000 1.166 545 A HN 0.830 nan 8.150 nan 0.000 0.493 546 M N 2.853 122.277 119.600 -0.292 0.000 2.035 546 M HA 0.239 4.719 4.480 -0.000 0.000 0.286 546 M C -1.621 174.634 176.300 -0.074 0.000 0.907 546 M CA -0.492 54.708 55.300 -0.166 0.000 0.935 546 M CB 1.682 34.170 32.600 -0.187 0.000 1.557 546 M HN 0.550 nan 8.290 nan 0.000 0.426 547 D N 5.126 125.535 120.400 0.014 0.000 2.412 547 D HA 0.347 4.987 4.640 -0.000 0.000 0.224 547 D C -2.438 173.892 176.300 0.049 0.000 1.093 547 D CA -1.416 52.614 54.000 0.049 0.000 0.850 547 D CB 1.089 41.961 40.800 0.121 0.000 1.046 547 D HN 0.143 nan 8.370 nan 0.000 0.507 548 P HA -0.031 nan 4.420 nan 0.000 0.263 548 P C -0.378 176.942 177.300 0.034 0.000 1.195 548 P CA -0.088 63.036 63.100 0.039 0.000 0.762 548 P CB 0.632 32.355 31.700 0.037 0.000 0.799 549 V N 1.733 121.669 119.914 0.035 0.000 2.914 549 V HA 0.526 4.646 4.120 -0.000 0.000 0.314 549 V C -0.299 175.809 176.094 0.023 0.000 1.084 549 V CA -1.140 61.176 62.300 0.028 0.000 0.963 549 V CB 2.176 34.017 31.823 0.030 0.000 1.025 549 V HN 0.094 nan 8.190 nan 0.000 0.432 550 V N 3.183 123.108 119.914 0.017 0.000 2.432 550 V HA 0.442 4.562 4.120 -0.000 0.000 0.271 550 V C 0.316 176.418 176.094 0.013 0.000 1.046 550 V CA -0.203 62.105 62.300 0.015 0.000 0.945 550 V CB 0.619 32.449 31.823 0.011 0.000 0.992 550 V HN 0.919 nan 8.190 nan 0.000 0.471 551 K N 5.420 125.828 120.400 0.014 0.000 2.316 551 K HA 0.490 4.810 4.320 -0.000 0.000 0.251 551 K C -2.783 173.823 176.600 0.010 0.000 0.934 551 K CA -2.043 54.252 56.287 0.012 0.000 0.802 551 K CB 2.412 34.921 32.500 0.015 0.000 1.171 551 K HN 0.292 nan 8.250 nan 0.000 0.426 552 P HA -0.118 nan 4.420 nan 0.000 0.262 552 P C -0.618 176.687 177.300 0.007 0.000 1.182 552 P CA 0.270 63.374 63.100 0.006 0.000 0.761 552 P CB 0.223 31.926 31.700 0.005 0.000 0.795 553 N N 2.289 120.993 118.700 0.007 0.000 2.452 553 N HA 0.006 4.746 4.740 -0.000 0.000 0.266 553 N C 0.642 176.156 175.510 0.006 0.000 1.209 553 N CA 0.155 53.209 53.050 0.007 0.000 0.929 553 N CB 0.425 38.916 38.487 0.006 0.000 1.063 553 N HN 0.389 nan 8.380 nan 0.000 0.472 554 T N 0.111 114.669 114.554 0.007 0.000 3.044 554 T HA 0.258 4.608 4.350 -0.000 0.000 0.260 554 T C 1.072 175.775 174.700 0.005 0.000 1.019 554 T CA -0.032 62.072 62.100 0.006 0.000 0.921 554 T CB 0.398 69.269 68.868 0.006 0.000 1.053 554 T HN 0.424 nan 8.240 nan 0.000 0.533 555 A N 0.850 123.674 122.820 0.006 0.000 2.308 555 A HA 0.732 5.052 4.320 -0.000 0.000 0.217 555 A C 1.440 179.027 177.584 0.004 0.000 1.216 555 A CA 0.268 52.308 52.037 0.005 0.000 0.864 555 A CB -0.744 18.259 19.000 0.006 0.000 0.902 555 A HN 1.407 nan 8.150 nan 0.000 0.499 556 G N -2.014 106.788 108.800 0.004 0.000 2.685 556 G HA2 0.451 4.411 3.960 -0.000 0.000 0.387 556 G HA3 0.451 4.411 3.960 -0.000 0.000 0.387 556 G C 0.799 175.701 174.900 0.003 0.000 1.324 556 G CA -0.118 44.984 45.100 0.003 0.000 0.878 556 G HN 2.461 nan 8.290 nan 0.000 0.527 557 G N -1.499 107.302 108.800 0.003 0.000 2.782 557 G HA2 0.243 4.203 3.960 -0.000 0.000 0.228 557 G HA3 0.243 4.203 3.960 -0.000 0.000 0.228 557 G C -0.785 174.116 174.900 0.003 0.000 1.372 557 G CA 0.586 45.688 45.100 0.003 0.000 0.862 557 G HN 1.456 nan 8.290 nan 0.000 0.547 558 P HA 0.100 nan 4.420 nan 0.000 0.229 558 P C 0.886 178.188 177.300 0.004 0.000 1.160 558 P CA 0.454 63.556 63.100 0.003 0.000 0.777 558 P CB 0.143 31.845 31.700 0.003 0.000 0.814 559 R N 0.344 120.847 120.500 0.004 0.000 2.537 559 R HA 0.082 4.422 4.340 -0.000 0.000 0.280 559 R C 1.489 177.792 176.300 0.005 0.000 1.058 559 R CA 0.699 56.801 56.100 0.005 0.000 1.057 559 R CB -0.024 30.279 30.300 0.005 0.000 0.973 559 R HN 0.191 nan 8.270 nan 0.000 0.438 560 T N -2.076 112.481 114.554 0.005 0.000 3.054 560 T HA -0.005 4.345 4.350 -0.000 0.000 0.259 560 T C 0.862 175.565 174.700 0.006 0.000 1.092 560 T CA 0.543 62.646 62.100 0.005 0.000 1.121 560 T CB 0.175 69.045 68.868 0.004 0.000 0.912 560 T HN 0.549 nan 8.240 nan 0.000 0.489 561 S N 0.479 116.183 115.700 0.007 0.000 2.661 561 S HA 0.739 5.209 4.470 -0.000 0.000 0.285 561 S C -0.594 174.012 174.600 0.009 0.000 1.138 561 S CA -0.378 57.827 58.200 0.008 0.000 0.855 561 S CB 2.005 65.210 63.200 0.008 0.000 1.136 561 S HN 0.736 nan 8.310 nan 0.000 0.484 562 T N -1.756 112.804 114.554 0.011 0.000 2.841 562 T HA 0.665 5.015 4.350 -0.000 0.000 0.296 562 T C -0.899 173.811 174.700 0.017 0.000 1.166 562 T CA -0.975 61.134 62.100 0.014 0.000 1.007 562 T CB 1.224 70.100 68.868 0.014 0.000 1.253 562 T HN 0.675 nan 8.240 nan 0.000 0.511 563 M N 2.086 121.698 119.600 0.020 0.000 2.066 563 M HA 0.422 4.902 4.480 -0.000 0.000 0.340 563 M C -0.231 176.087 176.300 0.030 0.000 1.053 563 M CA -0.479 54.836 55.300 0.025 0.000 0.983 563 M CB 1.398 34.014 32.600 0.026 0.000 1.520 563 M HN 0.616 nan 8.290 nan 0.000 0.428 564 Q N 1.382 121.202 119.800 0.033 0.000 2.572 564 Q HA 0.777 5.117 4.340 -0.000 0.000 0.284 564 Q C -1.165 174.864 176.000 0.048 0.000 1.091 564 Q CA -1.096 54.730 55.803 0.039 0.000 0.840 564 Q CB 3.162 31.921 28.738 0.034 0.000 1.433 564 Q HN 0.470 nan 8.270 nan 0.000 0.471 565 V N 1.718 121.665 119.914 0.055 0.000 2.444 565 V HA 0.231 4.351 4.120 -0.000 0.000 0.294 565 V C -0.546 175.591 176.094 0.071 0.000 1.022 565 V CA -0.881 61.456 62.300 0.062 0.000 0.850 565 V CB 1.609 33.473 31.823 0.070 0.000 0.992 565 V HN 0.630 nan 8.190 nan 0.000 0.426 566 N N 4.481 123.234 118.700 0.088 0.000 2.401 566 N HA 0.159 4.899 4.740 -0.000 0.000 0.255 566 N C -0.517 175.104 175.510 0.184 0.000 1.110 566 N CA 0.132 53.265 53.050 0.137 0.000 0.949 566 N CB 1.099 39.683 38.487 0.162 0.000 1.110 566 N HN 0.762 nan 8.380 nan 0.000 0.490 567 Q N 3.746 123.649 119.800 0.172 0.000 2.316 567 Q HA 0.346 4.686 4.340 -0.000 0.000 0.264 567 Q C -1.578 174.551 176.000 0.215 0.000 0.987 567 Q CA -0.765 55.100 55.803 0.104 0.000 0.852 567 Q CB 1.080 29.845 28.738 0.045 0.000 1.287 567 Q HN 0.624 nan 8.270 nan 0.000 0.448 568 Y N 0.240 120.541 120.300 0.001 0.000 2.641 568 Y HA 0.521 5.071 4.550 -0.000 0.000 0.333 568 Y C -1.610 174.293 175.900 0.006 0.000 1.174 568 Y CA -1.441 56.662 58.100 0.005 0.000 1.057 568 Y CB 0.748 39.212 38.460 0.006 0.000 1.322 568 Y HN 0.476 nan 8.280 nan 0.000 0.457 569 N N 1.039 119.812 118.700 0.121 0.000 2.508 569 N HA 0.612 5.352 4.740 -0.000 0.000 0.285 569 N C -1.374 174.201 175.510 0.109 0.000 1.144 569 N CA -0.470 52.608 53.050 0.048 0.000 0.978 569 N CB 1.343 39.866 38.487 0.058 0.000 1.180 569 N HN 0.694 nan 8.380 nan 0.000 0.484 570 I N 0.383 120.988 120.570 0.057 0.000 2.382 570 I HA 0.319 4.489 4.170 -0.000 0.000 0.285 570 I C 1.122 177.286 176.117 0.077 0.000 1.007 570 I CA -0.348 61.007 61.300 0.092 0.000 1.142 570 I CB 1.799 39.840 38.000 0.069 0.000 1.289 570 I HN 0.706 nan 8.210 nan 0.000 0.453 571 G N 5.693 114.542 108.800 0.082 0.000 2.887 571 G HA2 0.072 4.032 3.960 -0.000 0.000 0.211 571 G HA3 0.072 4.032 3.960 -0.000 0.000 0.211 571 G C 0.285 175.229 174.900 0.073 0.000 1.152 571 G CA -0.024 45.120 45.100 0.072 0.000 0.769 571 G HN 0.675 nan 8.290 nan 0.000 0.541 572 N N -1.363 117.384 118.700 0.078 0.000 2.934 572 N HA 0.157 4.897 4.740 -0.000 0.000 0.253 572 N C -0.041 175.525 175.510 0.092 0.000 1.466 572 N CA -0.545 52.554 53.050 0.082 0.000 0.858 572 N CB 1.092 39.621 38.487 0.071 0.000 1.459 572 N HN -0.095 nan 8.380 nan 0.000 0.532 573 E N -0.185 120.078 120.200 0.106 0.000 2.072 573 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 573 E C 1.255 177.918 176.600 0.105 0.000 0.985 573 E CA 1.403 57.882 56.400 0.131 0.000 0.801 573 E CB 0.050 29.843 29.700 0.155 0.000 0.750 573 E HN 0.456 nan 8.360 nan 0.000 0.452 574 Q N 0.820 120.667 119.800 0.078 0.000 2.084 574 Q HA -0.159 4.180 4.340 -0.000 0.000 0.202 574 Q C 1.671 177.677 176.000 0.009 0.000 0.978 574 Q CA 1.212 57.041 55.803 0.044 0.000 0.844 574 Q CB -0.272 28.491 28.738 0.040 0.000 0.898 574 Q HN 0.299 nan 8.270 nan 0.000 0.426 575 D N 0.216 120.634 120.400 0.031 0.000 2.183 575 D HA -0.046 4.594 4.640 -0.000 0.000 0.203 575 D C 1.544 177.855 176.300 0.019 0.000 0.969 575 D CA 1.189 55.206 54.000 0.029 0.000 0.842 575 D CB -0.061 40.774 40.800 0.059 0.000 0.957 575 D HN 0.240 nan 8.370 nan 0.000 0.484 576 A N 0.550 123.391 122.820 0.034 0.000 2.119 576 A HA 0.234 4.554 4.320 -0.000 0.000 0.217 576 A C 1.398 178.954 177.584 -0.047 0.000 1.153 576 A CA 0.688 52.748 52.037 0.039 0.000 0.692 576 A CB -0.172 18.889 19.000 0.102 0.000 0.799 576 A HN 0.159 nan 8.150 nan 0.000 0.458 577 A N 1.048 123.774 122.820 -0.157 0.000 2.437 577 A HA 0.515 4.835 4.320 -0.000 0.000 0.303 577 A C 0.138 177.451 177.584 -0.450 0.000 1.324 577 A CA -0.211 51.502 52.037 -0.540 0.000 0.983 577 A CB -0.473 18.110 19.000 -0.696 0.000 1.142 577 A HN 0.674 nan 8.150 nan 0.000 0.541 578 Q N 2.015 121.581 119.800 -0.390 0.000 2.511 578 Q HA 0.508 4.848 4.340 -0.000 0.000 0.289 578 Q C -1.145 174.791 176.000 -0.106 0.000 1.021 578 Q CA -1.249 54.446 55.803 -0.181 0.000 0.785 578 Q CB 1.174 29.881 28.738 -0.052 0.000 1.472 578 Q HN 0.370 nan 8.270 nan 0.000 0.411 579 K N 0.692 121.076 120.400 -0.026 0.000 2.180 579 K HA 0.296 4.616 4.320 -0.000 0.000 0.251 579 K C -0.852 175.841 176.600 0.155 0.000 1.014 579 K CA -0.131 56.187 56.287 0.050 0.000 0.913 579 K CB 0.392 32.908 32.500 0.026 0.000 1.008 579 K HN 0.605 nan 8.250 nan 0.000 0.490 580 F N 1.498 121.457 119.950 0.016 0.000 2.467 580 F HA 0.169 4.696 4.527 -0.000 0.000 0.336 580 F C -0.578 175.250 175.800 0.047 0.000 1.123 580 F CA -1.256 56.767 58.000 0.039 0.000 0.964 580 F CB 1.274 40.318 39.000 0.074 0.000 1.136 580 F HN 0.359 nan 8.300 nan 0.000 0.447 581 D N 8.456 128.420 120.400 -0.727 0.000 2.329 581 D HA 0.327 4.967 4.640 -0.000 0.000 0.232 581 D C -2.026 173.650 176.300 -1.039 0.000 1.088 581 D CA -2.668 50.959 54.000 -0.622 0.000 0.835 581 D CB 2.049 42.673 40.800 -0.293 0.000 1.078 581 D HN 0.301 nan 8.370 nan 0.000 0.495 582 P HA 0.049 nan 4.420 nan 0.000 0.239 582 P C 1.040 178.222 177.300 -0.196 0.000 1.184 582 P CA 0.312 63.133 63.100 -0.465 0.000 0.760 582 P CB 0.202 31.924 31.700 0.036 0.000 0.884 583 G N -0.432 108.246 108.800 -0.203 0.000 2.985 583 G HA2 0.033 3.993 3.960 -0.000 0.000 0.209 583 G HA3 0.033 3.993 3.960 -0.000 0.000 0.209 583 G C 0.626 175.477 174.900 -0.081 0.000 1.165 583 G CA 0.408 45.453 45.100 -0.092 0.000 0.776 583 G HN 0.414 nan 8.290 nan 0.000 0.541 584 T N -1.815 112.651 114.554 -0.147 0.000 2.919 584 T HA 0.741 5.091 4.350 -0.000 0.000 0.282 584 T C -0.468 174.232 174.700 -0.000 0.000 1.020 584 T CA -0.852 61.205 62.100 -0.072 0.000 0.994 584 T CB 2.245 71.066 68.868 -0.078 0.000 1.180 584 T HN -0.079 nan 8.240 nan 0.000 0.566 585 I N 0.709 121.265 120.570 -0.025 0.000 2.545 585 I HA 0.533 4.703 4.170 -0.000 0.000 0.292 585 I C -0.260 175.799 176.117 -0.097 0.000 1.040 585 I CA -1.100 60.154 61.300 -0.078 0.000 1.068 585 I CB 1.981 39.814 38.000 -0.278 0.000 1.251 585 I HN 0.409 nan 8.210 nan 0.000 0.424 586 R N 6.826 127.294 120.500 -0.053 0.000 2.476 586 R HA 0.664 5.004 4.340 -0.000 0.000 0.305 586 R C -1.417 174.805 176.300 -0.130 0.000 0.965 586 R CA -0.729 55.329 56.100 -0.069 0.000 0.867 586 R CB 1.994 32.322 30.300 0.046 0.000 1.176 586 R HN 0.551 nan 8.270 nan 0.000 0.447 587 L N 3.212 124.333 121.223 -0.169 0.000 2.346 587 L HA 0.525 4.865 4.340 -0.000 0.000 0.274 587 L C -0.432 176.412 176.870 -0.044 0.000 1.007 587 L CA -1.276 53.477 54.840 -0.146 0.000 0.818 587 L CB 1.886 43.788 42.059 -0.262 0.000 1.284 587 L HN 0.230 nan 8.230 nan 0.000 0.424 588 L N 2.198 123.439 121.223 0.029 0.000 2.264 588 L HA 0.436 4.776 4.340 -0.000 0.000 0.287 588 L C -0.165 176.763 176.870 0.097 0.000 1.039 588 L CA 0.477 55.357 54.840 0.066 0.000 0.829 588 L CB 1.068 43.181 42.059 0.091 0.000 1.211 588 L HN 0.539 nan 8.230 nan 0.000 0.427 589 S N 3.513 119.254 115.700 0.069 0.000 2.608 589 S HA 0.441 4.911 4.470 -0.000 0.000 0.291 589 S C -0.311 174.340 174.600 0.084 0.000 1.146 589 S CA -0.681 57.570 58.200 0.086 0.000 1.043 589 S CB 1.152 64.381 63.200 0.048 0.000 1.037 589 S HN 0.633 nan 8.310 nan 0.000 0.520 590 N N 2.620 121.372 118.700 0.087 0.000 2.485 590 N HA 0.275 5.015 4.740 -0.000 0.000 0.243 590 N C -1.914 173.613 175.510 0.028 0.000 0.987 590 N CA -2.133 50.949 53.050 0.052 0.000 0.940 590 N CB 1.317 39.830 38.487 0.042 0.000 1.122 590 N HN 0.227 nan 8.380 nan 0.000 0.509 591 P HA -0.012 nan 4.420 nan 0.000 0.229 591 P C 0.231 177.534 177.300 0.005 0.000 1.160 591 P CA 0.771 63.881 63.100 0.017 0.000 0.777 591 P CB 0.506 32.218 31.700 0.020 0.000 0.814 592 N N 0.065 118.763 118.700 -0.003 0.000 2.467 592 N HA 0.027 4.767 4.740 -0.000 0.000 0.184 592 N C 0.453 175.945 175.510 -0.029 0.000 1.106 592 N CA 0.670 53.711 53.050 -0.015 0.000 0.892 592 N CB 0.323 38.799 38.487 -0.019 0.000 0.969 592 N HN 0.342 nan 8.380 nan 0.000 0.454 593 K N 0.789 121.168 120.400 -0.035 0.000 2.501 593 K HA 0.390 4.710 4.320 -0.000 0.000 0.252 593 K C -0.800 175.761 176.600 -0.065 0.000 0.934 593 K CA -0.449 55.800 56.287 -0.063 0.000 0.797 593 K CB 2.534 34.977 32.500 -0.096 0.000 1.270 593 K HN -0.041 nan 8.250 nan 0.000 0.431 594 E N 1.132 121.287 120.200 -0.074 0.000 2.312 594 E HA 0.162 4.512 4.350 -0.000 0.000 0.267 594 E C -0.786 175.760 176.600 -0.091 0.000 0.894 594 E CA -0.897 55.465 56.400 -0.063 0.000 0.773 594 E CB 2.110 31.788 29.700 -0.037 0.000 1.241 594 E HN 0.666 nan 8.360 nan 0.000 0.432 595 N N 0.250 118.901 118.700 -0.081 0.000 2.322 595 N HA 0.125 4.865 4.740 -0.000 0.000 0.270 595 N C 0.846 176.322 175.510 -0.058 0.000 1.286 595 N CA -0.709 52.289 53.050 -0.087 0.000 0.948 595 N CB 1.013 39.451 38.487 -0.081 0.000 1.164 595 N HN 0.308 nan 8.380 nan 0.000 0.551 596 R N -1.111 119.359 120.500 -0.050 0.000 2.139 596 R HA -0.092 4.248 4.340 -0.000 0.000 0.243 596 R C 1.024 177.305 176.300 -0.031 0.000 1.145 596 R CA 1.685 57.763 56.100 -0.038 0.000 0.976 596 R CB -0.187 30.094 30.300 -0.032 0.000 0.866 596 R HN 0.620 nan 8.270 nan 0.000 0.449 597 M N -1.154 118.427 119.600 -0.031 0.000 2.495 597 M HA 0.219 4.699 4.480 -0.000 0.000 0.237 597 M C 0.833 177.123 176.300 -0.016 0.000 1.131 597 M CA 0.586 55.871 55.300 -0.024 0.000 1.032 597 M CB 0.997 33.580 32.600 -0.028 0.000 1.513 597 M HN 0.320 nan 8.290 nan 0.000 0.488 598 G N 0.685 109.475 108.800 -0.018 0.000 2.137 598 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.237 598 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.237 598 G C -0.122 174.780 174.900 0.003 0.000 1.002 598 G CA -0.114 44.980 45.100 -0.010 0.000 0.702 598 G HN 0.519 nan 8.290 nan 0.000 0.515 599 N N 1.343 120.047 118.700 0.007 0.000 2.438 599 N HA 0.523 5.263 4.740 -0.000 0.000 0.282 599 N C -2.628 172.903 175.510 0.034 0.000 1.037 599 N CA -1.715 51.357 53.050 0.037 0.000 0.942 599 N CB 1.459 39.979 38.487 0.055 0.000 1.136 599 N HN -0.035 nan 8.380 nan 0.000 0.481 600 P HA -0.073 nan 4.420 nan 0.000 0.260 600 P C -0.356 176.987 177.300 0.072 0.000 1.185 600 P CA -0.218 62.909 63.100 0.045 0.000 0.763 600 P CB 0.247 31.980 31.700 0.055 0.000 0.776 601 V N 2.083 122.008 119.914 0.018 0.000 2.617 601 V HA 0.271 4.390 4.120 -0.000 0.000 0.304 601 V C 0.034 176.254 176.094 0.209 0.000 1.040 601 V CA 0.500 62.823 62.300 0.039 0.000 1.149 601 V CB -0.330 31.375 31.823 -0.197 0.000 0.914 601 V HN 0.480 nan 8.190 nan 0.000 0.487 602 S N 3.242 119.141 115.700 0.333 0.000 2.607 602 S HA 0.708 5.178 4.470 -0.000 0.000 0.273 602 S C -1.392 173.406 174.600 0.331 0.000 1.148 602 S CA -0.490 57.898 58.200 0.314 0.000 0.833 602 S CB 1.673 65.005 63.200 0.220 0.000 1.130 602 S HN 0.746 nan 8.310 nan 0.000 0.470 603 Y N 1.806 122.178 120.300 0.120 0.000 2.364 603 Y HA 0.420 4.970 4.550 0.000 0.000 0.340 603 Y C 0.269 176.191 175.900 0.037 0.000 0.975 603 Y CA -0.451 57.688 58.100 0.065 0.000 1.089 603 Y CB 1.542 39.995 38.460 -0.012 0.000 1.192 603 Y HN 0.624 nan 8.280 nan 0.000 0.454 604 Q N 4.412 124.278 119.800 0.111 0.000 2.296 604 Q HA 0.322 4.662 4.340 -0.000 0.000 0.262 604 Q C -1.226 174.810 176.000 0.059 0.000 0.981 604 Q CA -0.478 55.347 55.803 0.036 0.000 0.905 604 Q CB 0.482 29.273 28.738 0.089 0.000 1.186 604 Q HN 0.482 nan 8.270 nan 0.000 0.399 605 I N 6.249 126.818 120.570 -0.002 0.000 2.321 605 I HA 0.308 4.478 4.170 -0.000 0.000 0.291 605 I C -0.122 175.892 176.117 -0.172 0.000 0.998 605 I CA -0.612 60.657 61.300 -0.052 0.000 1.227 605 I CB 0.821 38.785 38.000 -0.059 0.000 1.368 605 I HN 0.666 nan 8.210 nan 0.000 0.466 606 I N 8.593 129.049 120.570 -0.189 0.000 2.595 606 I HA 0.220 4.390 4.170 -0.000 0.000 0.275 606 I C -1.551 174.396 176.117 -0.283 0.000 1.092 606 I CA -1.274 59.867 61.300 -0.265 0.000 1.145 606 I CB 1.888 39.870 38.000 -0.030 0.000 1.276 606 I HN 0.311 nan 8.210 nan 0.000 0.497 607 P HA -0.149 nan 4.420 nan 0.000 0.230 607 P C -0.147 177.223 177.300 0.116 0.000 1.158 607 P CA 1.089 64.089 63.100 -0.167 0.000 0.769 607 P CB 0.120 31.706 31.700 -0.189 0.000 0.807 608 Y N 0.256 120.592 120.300 0.060 0.000 2.402 608 Y HA 0.583 5.133 4.550 -0.000 0.000 0.325 608 Y C 0.187 176.225 175.900 0.231 0.000 1.009 608 Y CA -1.192 57.042 58.100 0.224 0.000 1.278 608 Y CB 0.955 39.610 38.460 0.326 0.000 1.105 608 Y HN -0.143 nan 8.280 nan 0.000 0.476 609 A N 3.580 126.251 122.820 -0.248 0.000 2.465 609 A HA 0.727 5.047 4.320 -0.000 0.000 0.255 609 A C 0.828 178.153 177.584 -0.431 0.000 1.274 609 A CA 0.385 52.278 52.037 -0.241 0.000 0.920 609 A CB -0.552 18.385 19.000 -0.105 0.000 1.033 609 A HN 1.467 nan 8.150 nan 0.000 0.516 610 G N -2.377 105.812 108.800 -1.019 0.000 2.343 610 G HA2 0.530 4.490 3.960 -0.000 0.000 0.465 610 G HA3 0.530 4.490 3.960 -0.000 0.000 0.465 610 G C -0.262 174.549 174.900 -0.149 0.000 1.282 610 G CA -0.205 44.473 45.100 -0.703 0.000 0.996 610 G HN 1.919 nan 8.290 nan 0.000 0.521 611 G N -2.460 106.446 108.800 0.176 0.000 2.411 611 G HA2 0.679 4.639 3.960 -0.000 0.000 0.295 611 G HA3 0.679 4.639 3.960 -0.000 0.000 0.295 611 G C 0.419 175.452 174.900 0.222 0.000 1.542 611 G CA 0.937 46.188 45.100 0.252 0.000 0.814 611 G HN 1.972 nan 8.290 nan 0.000 0.557 612 T N -2.557 112.089 114.554 0.152 0.000 3.044 612 T HA 0.301 4.651 4.350 -0.000 0.000 0.250 612 T C 0.679 175.441 174.700 0.103 0.000 1.081 612 T CA 0.608 62.767 62.100 0.098 0.000 1.040 612 T CB -0.038 68.851 68.868 0.035 0.000 0.962 612 T HN 0.559 nan 8.240 nan 0.000 0.506 613 H N 1.112 120.216 119.070 0.057 0.000 2.651 613 H HA 0.469 5.025 4.556 -0.000 0.000 0.353 613 H C -2.508 172.852 175.328 0.053 0.000 1.178 613 H CA -2.842 53.210 56.048 0.007 0.000 1.224 613 H CB 1.539 31.266 29.762 -0.059 0.000 1.702 613 H HN 0.050 nan 8.280 nan 0.000 0.550 614 P HA -0.038 nan 4.420 nan 0.000 0.268 614 P C -0.809 176.514 177.300 0.038 0.000 1.205 614 P CA -0.125 63.009 63.100 0.056 0.000 0.771 614 P CB 0.516 32.209 31.700 -0.012 0.000 0.858 615 V N 1.741 121.644 119.914 -0.017 0.000 2.614 615 V HA 0.339 4.459 4.120 -0.000 0.000 0.291 615 V C 0.879 176.918 176.094 -0.092 0.000 1.049 615 V CA -0.794 61.434 62.300 -0.120 0.000 1.038 615 V CB 0.162 31.726 31.823 -0.431 0.000 0.980 615 V HN 0.687 nan 8.190 nan 0.000 0.481 616 A N 4.323 127.111 122.820 -0.052 0.000 2.450 616 A HA 0.316 4.636 4.320 -0.000 0.000 0.255 616 A C 1.120 178.678 177.584 -0.043 0.000 1.096 616 A CA -0.287 51.731 52.037 -0.031 0.000 0.778 616 A CB 0.145 19.151 19.000 0.010 0.000 1.031 616 A HN 0.916 nan 8.150 nan 0.000 0.494 617 K N 1.649 122.032 120.400 -0.029 0.000 2.361 617 K HA 0.210 4.530 4.320 -0.000 0.000 0.196 617 K C 0.937 177.553 176.600 0.025 0.000 1.039 617 K CA 0.920 57.198 56.287 -0.016 0.000 1.001 617 K CB 0.352 32.842 32.500 -0.018 0.000 0.795 617 K HN 0.921 nan 8.250 nan 0.000 0.495 618 G N 0.363 109.187 108.800 0.039 0.000 2.364 618 G HA2 0.394 4.354 3.960 -0.000 0.000 0.286 618 G HA3 0.394 4.354 3.960 -0.000 0.000 0.286 618 G C -1.739 173.210 174.900 0.082 0.000 1.241 618 G CA -0.393 44.748 45.100 0.068 0.000 0.887 618 G HN 0.087 nan 8.290 nan 0.000 0.484 619 A N -0.016 122.888 122.820 0.140 0.000 2.409 619 A HA 0.568 4.888 4.320 -0.000 0.000 0.262 619 A C 0.340 178.065 177.584 0.236 0.000 1.113 619 A CA -0.127 52.052 52.037 0.236 0.000 0.790 619 A CB 0.386 19.576 19.000 0.317 0.000 1.046 619 A HN 0.370 nan 8.150 nan 0.000 0.496 620 Q N 2.062 121.911 119.800 0.082 0.000 3.254 620 Q HA 0.289 4.629 4.340 -0.000 0.000 0.315 620 Q C -1.532 174.170 176.000 -0.496 0.000 1.405 620 Q CA 0.716 56.420 55.803 -0.165 0.000 0.966 620 Q CB -0.796 27.791 28.738 -0.252 0.000 1.706 620 Q HN 0.562 nan 8.270 nan 0.000 0.525 621 F N -0.640 119.353 119.950 0.073 0.000 2.608 621 F HA 0.474 5.001 4.527 -0.000 0.000 0.309 621 F C 0.110 175.896 175.800 -0.023 0.000 1.103 621 F CA -1.259 56.782 58.000 0.069 0.000 0.954 621 F CB 1.141 40.235 39.000 0.156 0.000 1.267 621 F HN 0.111 nan 8.300 nan 0.000 0.444 622 A N 3.461 126.349 122.820 0.114 0.000 2.483 622 A HA 0.334 4.654 4.320 -0.000 0.000 0.238 622 A C -1.637 175.815 177.584 -0.220 0.000 1.070 622 A CA -0.917 51.092 52.037 -0.047 0.000 0.770 622 A CB -0.238 18.751 19.000 -0.019 0.000 1.008 622 A HN 0.564 nan 8.150 nan 0.000 0.497 623 P HA -0.122 nan 4.420 nan 0.000 0.228 623 P C 0.228 177.317 177.300 -0.351 0.000 1.151 623 P CA 1.322 63.945 63.100 -0.795 0.000 0.770 623 P CB -0.017 31.343 31.700 -0.567 0.000 0.786 624 D N -1.626 118.653 120.400 -0.203 0.000 2.339 624 D HA -0.009 4.631 4.640 -0.000 0.000 0.217 624 D C 0.328 176.537 176.300 -0.151 0.000 1.050 624 D CA 0.075 53.973 54.000 -0.171 0.000 0.856 624 D CB -0.322 40.403 40.800 -0.126 0.000 0.922 624 D HN 0.096 nan 8.370 nan 0.000 0.518 625 E N 0.092 120.268 120.200 -0.040 0.000 2.338 625 E HA 0.008 4.358 4.350 -0.000 0.000 0.272 625 E C 0.282 176.881 176.600 -0.001 0.000 1.029 625 E CA -0.390 56.051 56.400 0.067 0.000 0.872 625 E CB 0.828 30.650 29.700 0.204 0.000 1.015 625 E HN 0.251 nan 8.360 nan 0.000 0.417 626 W N 2.111 123.405 121.300 -0.010 0.000 2.338 626 W HA -0.183 4.477 4.660 -0.000 0.000 0.304 626 W C 2.170 178.638 176.519 -0.084 0.000 1.212 626 W CA 0.362 57.666 57.345 -0.068 0.000 1.264 626 W CB -0.287 29.012 29.460 -0.268 0.000 1.142 626 W HN 0.616 nan 8.180 nan 0.000 0.512 627 I N -0.839 119.733 120.570 0.003 0.000 2.264 627 I HA -0.369 3.800 4.170 -0.000 0.000 0.248 627 I C 2.421 178.439 176.117 -0.167 0.000 1.111 627 I CA 1.574 62.776 61.300 -0.164 0.000 1.382 627 I CB -0.421 37.337 38.000 -0.403 0.000 1.060 627 I HN 0.069 nan 8.210 nan 0.000 0.418 628 Y N 0.119 120.275 120.300 -0.240 0.000 2.242 628 Y HA -0.321 4.229 4.550 -0.000 0.000 0.291 628 Y C 2.541 178.407 175.900 -0.057 0.000 1.137 628 Y CA 2.284 60.293 58.100 -0.152 0.000 1.181 628 Y CB -0.508 37.918 38.460 -0.057 0.000 0.989 628 Y HN 0.407 nan 8.280 nan 0.000 0.527 629 H N -0.286 118.828 119.070 0.073 0.000 2.395 629 H HA 0.032 4.588 4.556 -0.000 0.000 0.299 629 H C 2.169 177.500 175.328 0.005 0.000 1.070 629 H CA 1.698 57.762 56.048 0.028 0.000 1.356 629 H CB 0.035 29.737 29.762 -0.100 0.000 1.401 629 H HN 0.202 nan 8.280 nan 0.000 0.524 630 R N -0.423 120.095 120.500 0.031 0.000 2.153 630 R HA 0.119 4.459 4.340 -0.000 0.000 0.218 630 R C 0.202 176.424 176.300 -0.131 0.000 1.072 630 R CA 0.921 56.996 56.100 -0.043 0.000 0.990 630 R CB 0.365 30.691 30.300 0.043 0.000 0.889 630 R HN 0.267 nan 8.270 nan 0.000 0.452 631 L N 0.561 121.680 121.223 -0.173 0.000 2.732 631 L HA 0.265 4.605 4.340 -0.000 0.000 0.246 631 L C 0.574 177.227 176.870 -0.361 0.000 1.407 631 L CA -0.304 54.422 54.840 -0.191 0.000 0.861 631 L CB 1.591 43.529 42.059 -0.201 0.000 1.161 631 L HN 0.024 nan 8.230 nan 0.000 0.510 632 S N 0.828 116.357 115.700 -0.285 0.000 2.413 632 S HA -0.267 4.203 4.470 -0.000 0.000 0.237 632 S C 1.742 176.277 174.600 -0.107 0.000 1.044 632 S CA 2.075 60.135 58.200 -0.234 0.000 1.024 632 S CB -0.375 62.786 63.200 -0.065 0.000 0.829 632 S HN 0.738 nan 8.310 nan 0.000 0.475 633 F N 1.078 120.887 119.950 -0.236 0.000 2.333 633 F HA 0.041 4.568 4.527 -0.000 0.000 0.300 633 F C 1.884 177.755 175.800 0.117 0.000 1.083 633 F CA 0.673 58.563 58.000 -0.184 0.000 1.395 633 F CB -0.862 37.859 39.000 -0.464 0.000 1.056 633 F HN 0.074 nan 8.300 nan 0.000 0.529 634 M N 0.382 119.462 119.600 -0.866 0.000 2.279 634 M HA -0.144 4.336 4.480 -0.000 0.000 0.264 634 M C 1.020 177.225 176.300 -0.159 0.000 1.062 634 M CA 1.778 56.713 55.300 -0.608 0.000 1.099 634 M CB -0.416 31.824 32.600 -0.599 0.000 1.394 634 M HN 0.160 nan 8.290 nan 0.000 0.426 635 D N -0.060 120.289 120.400 -0.085 0.000 2.398 635 D HA 0.073 4.713 4.640 -0.000 0.000 0.210 635 D C -0.193 176.140 176.300 0.056 0.000 1.094 635 D CA 0.335 54.336 54.000 0.003 0.000 0.839 635 D CB 0.617 41.391 40.800 -0.042 0.000 0.963 635 D HN -0.055 nan 8.370 nan 0.000 0.506 636 K N 0.225 120.695 120.400 0.116 0.000 2.318 636 K HA 0.320 4.640 4.320 -0.000 0.000 0.249 636 K C 0.281 176.970 176.600 0.148 0.000 0.942 636 K CA -0.528 55.746 56.287 -0.022 0.000 0.808 636 K CB 1.737 33.926 32.500 -0.519 0.000 1.189 636 K HN -0.192 nan 8.250 nan 0.000 0.428 637 Q N 0.147 120.019 119.800 0.119 0.000 2.331 637 Q HA 0.117 4.457 4.340 -0.000 0.000 0.203 637 Q C -0.140 175.993 176.000 0.222 0.000 0.944 637 Q CA 0.512 56.448 55.803 0.221 0.000 0.892 637 Q CB 0.233 29.126 28.738 0.258 0.000 0.983 637 Q HN 0.301 nan 8.270 nan 0.000 0.482 638 L N -0.498 120.769 121.223 0.074 0.000 2.408 638 L HA 0.570 4.910 4.340 -0.000 0.000 0.268 638 L C -2.069 174.769 176.870 -0.054 0.000 0.986 638 L CA -0.596 54.309 54.840 0.109 0.000 0.820 638 L CB 1.352 43.449 42.059 0.063 0.000 1.303 638 L HN 0.040 nan 8.230 nan 0.000 0.411 639 W N 4.009 125.435 121.300 0.210 0.000 3.138 639 W HA 0.773 5.433 4.660 -0.000 0.000 0.331 639 W C -1.276 175.433 176.519 0.316 0.000 1.166 639 W CA -0.733 56.734 57.345 0.204 0.000 1.212 639 W CB 2.223 31.756 29.460 0.122 0.000 1.399 639 W HN 0.275 nan 8.180 nan 0.000 0.514 640 V N 2.541 122.747 119.914 0.486 0.000 2.569 640 V HA 0.727 4.847 4.120 -0.000 0.000 0.301 640 V C -0.284 176.039 176.094 0.381 0.000 1.044 640 V CA -0.816 61.736 62.300 0.419 0.000 0.874 640 V CB 1.547 33.525 31.823 0.258 0.000 1.002 640 V HN 0.574 nan 8.190 nan 0.000 0.424 641 T N 1.570 116.386 114.554 0.436 0.000 2.901 641 T HA 0.689 5.039 4.350 -0.000 0.000 0.293 641 T C -0.383 174.496 174.700 0.298 0.000 1.084 641 T CA -1.053 61.261 62.100 0.356 0.000 1.008 641 T CB 1.844 70.955 68.868 0.405 0.000 1.170 641 T HN 0.490 nan 8.240 nan 0.000 0.509 642 R N 0.591 121.227 120.500 0.228 0.000 2.491 642 R HA 0.235 4.575 4.340 -0.000 0.000 0.283 642 R C -0.409 176.021 176.300 0.216 0.000 1.072 642 R CA -0.633 55.588 56.100 0.201 0.000 1.048 642 R CB 0.200 30.590 30.300 0.151 0.000 0.983 642 R HN 0.700 nan 8.270 nan 0.000 0.450 643 Y N 2.787 123.150 120.300 0.105 0.000 2.810 643 Y HA -0.132 4.418 4.550 -0.000 0.000 0.332 643 Y C -0.441 175.512 175.900 0.089 0.000 1.243 643 Y CA 0.743 58.892 58.100 0.081 0.000 1.537 643 Y CB 0.167 38.648 38.460 0.034 0.000 1.265 643 Y HN 0.572 nan 8.280 nan 0.000 0.572 644 H N 7.696 126.207 119.070 -0.931 0.000 3.149 644 H HA 0.262 4.818 4.556 -0.000 0.000 0.334 644 H C -2.123 172.683 175.328 -0.870 0.000 1.000 644 H CA -2.046 53.517 56.048 -0.807 0.000 1.415 644 H CB 1.820 31.345 29.762 -0.396 0.000 1.819 644 H HN 0.427 nan 8.280 nan 0.000 0.486 645 P HA -0.117 nan 4.420 nan 0.000 0.218 645 P C 1.134 178.370 177.300 -0.106 0.000 1.146 645 P CA 1.647 64.615 63.100 -0.220 0.000 0.813 645 P CB 0.162 31.826 31.700 -0.060 0.000 0.778 646 G N -0.758 108.035 108.800 -0.013 0.000 3.088 646 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.217 646 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.217 646 G C 0.234 174.855 174.900 -0.464 0.000 1.159 646 G CA -0.130 44.837 45.100 -0.222 0.000 0.760 646 G HN 0.279 nan 8.290 nan 0.000 0.550 647 E N 0.542 120.375 120.200 -0.612 0.000 2.035 647 E HA 0.400 4.750 4.350 -0.000 0.000 0.271 647 E C 0.394 176.745 176.600 -0.416 0.000 0.953 647 E CA -0.363 55.501 56.400 -0.893 0.000 0.777 647 E CB 1.136 29.943 29.700 -1.487 0.000 1.104 647 E HN 0.183 nan 8.360 nan 0.000 0.408 648 R N 1.793 122.059 120.500 -0.389 0.000 2.507 648 R HA 0.189 4.529 4.340 -0.000 0.000 0.230 648 R C -0.322 175.690 176.300 -0.480 0.000 0.897 648 R CA 0.108 55.847 56.100 -0.601 0.000 1.006 648 R CB 0.798 30.398 30.300 -1.167 0.000 1.341 648 R HN 0.265 nan 8.270 nan 0.000 0.604 649 F N 2.189 122.326 119.950 0.312 0.000 2.518 649 F HA 0.380 4.907 4.527 -0.000 0.000 0.323 649 F C -1.664 174.093 175.800 -0.071 0.000 1.129 649 F CA -3.001 55.067 58.000 0.113 0.000 0.920 649 F CB 1.555 40.527 39.000 -0.047 0.000 1.160 649 F HN -0.255 nan 8.300 nan 0.000 0.440 650 P HA -0.180 nan 4.420 nan 0.000 0.220 650 P C 0.704 177.618 177.300 -0.644 0.000 1.148 650 P CA 1.485 64.175 63.100 -0.682 0.000 0.803 650 P CB 0.250 31.345 31.700 -1.009 0.000 0.782 651 E N 0.411 120.342 120.200 -0.449 0.000 2.437 651 E HA 0.203 4.553 4.350 -0.000 0.000 0.189 651 E C 0.767 177.269 176.600 -0.164 0.000 1.054 651 E CA 0.193 56.469 56.400 -0.206 0.000 0.874 651 E CB -0.692 28.953 29.700 -0.093 0.000 1.011 651 E HN 0.145 nan 8.360 nan 0.000 0.474 652 G N 1.866 110.566 108.800 -0.167 0.000 2.758 652 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.686 652 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.686 652 G C 0.163 175.055 174.900 -0.014 0.000 1.389 652 G CA -0.011 45.039 45.100 -0.084 0.000 0.845 652 G HN 0.186 nan 8.290 nan 0.000 0.572 653 K N -0.652 119.735 120.400 -0.021 0.000 2.057 653 K HA -0.013 4.307 4.320 -0.000 0.000 0.207 653 K C 0.443 176.653 176.600 -0.650 0.000 1.049 653 K CA 1.593 57.712 56.287 -0.281 0.000 0.931 653 K CB -0.100 32.189 32.500 -0.351 0.000 0.714 653 K HN 0.487 nan 8.250 nan 0.000 0.440 654 Y N 0.265 120.537 120.300 -0.047 0.000 2.837 654 Y HA 0.235 4.785 4.550 -0.000 0.000 0.356 654 Y C -1.971 173.873 175.900 -0.093 0.000 1.035 654 Y CA -2.340 55.717 58.100 -0.072 0.000 1.165 654 Y CB 1.227 39.660 38.460 -0.046 0.000 1.147 654 Y HN 0.139 nan 8.280 nan 0.000 0.628 655 P HA -0.059 nan 4.420 nan 0.000 0.236 655 P C 0.143 177.410 177.300 -0.054 0.000 1.177 655 P CA 0.414 63.483 63.100 -0.053 0.000 0.773 655 P CB 0.465 32.122 31.700 -0.071 0.000 0.878 656 N N 2.112 120.789 118.700 -0.037 0.000 2.434 656 N HA -0.062 4.678 4.740 -0.000 0.000 0.268 656 N C 0.413 175.816 175.510 -0.179 0.000 1.256 656 N CA 0.373 53.368 53.050 -0.091 0.000 0.914 656 N CB -0.417 38.028 38.487 -0.070 0.000 1.088 656 N HN -0.071 nan 8.380 nan 0.000 0.478 657 R N 0.218 120.589 120.500 -0.215 0.000 3.741 657 R HA -0.199 4.141 4.340 -0.000 0.000 0.292 657 R C -0.165 175.988 176.300 -0.245 0.000 1.176 657 R CA 0.906 56.846 56.100 -0.267 0.000 0.794 657 R CB -2.669 27.284 30.300 -0.578 0.000 1.213 657 R HN 0.755 nan 8.270 nan 0.000 0.494 658 S N -0.642 114.948 115.700 -0.184 0.000 2.573 658 S HA 0.141 4.611 4.470 -0.000 0.000 0.277 658 S C 1.518 175.914 174.600 -0.341 0.000 1.346 658 S CA 0.127 58.191 58.200 -0.227 0.000 1.034 658 S CB 1.575 64.659 63.200 -0.194 0.000 0.879 658 S HN 0.324 nan 8.310 nan 0.000 0.528 659 T N -2.013 112.294 114.554 -0.412 0.000 3.044 659 T HA 0.269 4.619 4.350 -0.000 0.000 0.250 659 T C 0.291 175.095 174.700 0.174 0.000 1.081 659 T CA 0.640 62.463 62.100 -0.461 0.000 1.040 659 T CB -0.748 67.831 68.868 -0.481 0.000 0.962 659 T HN 1.066 nan 8.240 nan 0.000 0.506 660 H N -2.063 117.030 119.070 0.037 0.000 2.918 660 H HA 0.614 5.170 4.556 -0.000 0.000 0.303 660 H C -1.818 173.456 175.328 -0.090 0.000 1.380 660 H CA -1.078 54.993 56.048 0.039 0.000 1.134 660 H CB 0.313 30.119 29.762 0.074 0.000 1.842 660 H HN -0.077 nan 8.280 nan 0.000 0.533 661 D N 0.600 120.917 120.400 -0.139 0.000 2.339 661 D HA 0.107 4.747 4.640 -0.000 0.000 0.241 661 D C 0.544 176.724 176.300 -0.201 0.000 1.183 661 D CA 0.283 54.155 54.000 -0.214 0.000 0.859 661 D CB 1.041 41.700 40.800 -0.235 0.000 1.067 661 D HN 0.709 nan 8.370 nan 0.000 0.484 662 T N 0.394 114.782 114.554 -0.277 0.000 3.092 662 T HA 0.361 4.711 4.350 -0.000 0.000 0.258 662 T C 0.973 175.450 174.700 -0.372 0.000 1.031 662 T CA -0.205 61.762 62.100 -0.222 0.000 0.925 662 T CB 0.713 69.485 68.868 -0.159 0.000 1.036 662 T HN 0.257 nan 8.240 nan 0.000 0.544 663 G N 1.313 109.774 108.800 -0.565 0.000 3.227 663 G HA2 0.482 4.442 3.960 -0.000 0.000 0.171 663 G HA3 0.482 4.442 3.960 -0.000 0.000 0.171 663 G C 0.789 174.755 174.900 -1.557 0.000 1.463 663 G CA -0.671 43.827 45.100 -1.002 0.000 1.016 663 G HN 0.286 nan 8.290 nan 0.000 0.594 664 L N 0.870 121.311 121.223 -1.305 0.000 2.131 664 L HA 0.004 4.344 4.340 -0.000 0.000 0.210 664 L C 3.066 179.454 176.870 -0.803 0.000 1.092 664 L CA 1.055 55.110 54.840 -1.307 0.000 0.759 664 L CB -0.461 40.552 42.059 -1.744 0.000 0.903 664 L HN 0.579 nan 8.230 nan 0.000 0.435 665 G N -0.892 107.571 108.800 -0.563 0.000 2.440 665 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.218 665 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.218 665 G C 1.479 176.274 174.900 -0.174 0.000 1.154 665 G CA 0.792 45.754 45.100 -0.231 0.000 0.767 665 G HN 0.427 nan 8.290 nan 0.000 0.552 666 Q N -0.882 118.755 119.800 -0.273 0.000 2.049 666 Q HA -0.111 4.229 4.340 -0.000 0.000 0.198 666 Q C 2.280 178.273 176.000 -0.012 0.000 0.971 666 Q CA 1.026 56.754 55.803 -0.126 0.000 0.833 666 Q CB -0.239 28.432 28.738 -0.112 0.000 0.896 666 Q HN 0.519 nan 8.270 nan 0.000 0.434 667 Y N 0.649 120.852 120.300 -0.162 0.000 2.403 667 Y HA -0.095 4.455 4.550 -0.000 0.000 0.291 667 Y C 2.427 178.300 175.900 -0.045 0.000 1.143 667 Y CA 1.163 59.181 58.100 -0.137 0.000 1.257 667 Y CB -0.606 37.708 38.460 -0.244 0.000 0.984 667 Y HN 0.287 nan 8.280 nan 0.000 0.550 668 S N -1.463 114.300 115.700 0.105 0.000 2.540 668 S HA 0.092 4.562 4.470 -0.000 0.000 0.218 668 S C 1.712 176.380 174.600 0.113 0.000 0.977 668 S CA -0.439 57.850 58.200 0.147 0.000 0.918 668 S CB 0.112 63.455 63.200 0.239 0.000 0.806 668 S HN 0.212 nan 8.310 nan 0.000 0.496 669 K N 1.696 122.144 120.400 0.080 0.000 2.074 669 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 669 K C 0.458 177.097 176.600 0.065 0.000 1.048 669 K CA 1.744 58.068 56.287 0.062 0.000 0.926 669 K CB -0.271 32.257 32.500 0.045 0.000 0.713 669 K HN 0.427 nan 8.250 nan 0.000 0.444 670 D N 0.240 120.683 120.400 0.072 0.000 2.328 670 D HA -0.055 4.585 4.640 -0.000 0.000 0.226 670 D C -0.122 176.220 176.300 0.069 0.000 1.066 670 D CA 0.105 54.144 54.000 0.065 0.000 0.861 670 D CB -0.450 40.390 40.800 0.066 0.000 0.912 670 D HN 0.298 nan 8.370 nan 0.000 0.521 671 N N 1.713 120.461 118.700 0.080 0.000 2.705 671 N HA -0.187 4.553 4.740 -0.000 0.000 0.255 671 N C -0.684 174.874 175.510 0.079 0.000 1.008 671 N CA 0.115 53.213 53.050 0.080 0.000 0.742 671 N CB -0.322 38.204 38.487 0.065 0.000 0.906 671 N HN 0.358 nan 8.380 nan 0.000 0.541 672 E N 0.151 120.405 120.200 0.090 0.000 2.371 672 E HA 0.135 4.485 4.350 -0.000 0.000 0.257 672 E C 0.327 176.978 176.600 0.085 0.000 1.134 672 E CA -0.410 56.040 56.400 0.084 0.000 0.919 672 E CB 0.762 30.517 29.700 0.090 0.000 1.025 672 E HN 0.261 nan 8.360 nan 0.000 0.438 673 S N 0.698 116.443 115.700 0.075 0.000 2.549 673 S HA 0.053 4.523 4.470 -0.000 0.000 0.283 673 S C 0.309 174.959 174.600 0.083 0.000 1.320 673 S CA -0.289 57.954 58.200 0.072 0.000 1.058 673 S CB 0.122 63.358 63.200 0.060 0.000 0.882 673 S HN 0.429 nan 8.310 nan 0.000 0.498 674 L N 3.277 124.550 121.223 0.083 0.000 3.110 674 L HA 0.346 4.686 4.340 -0.000 0.000 0.266 674 L C -0.153 176.762 176.870 0.075 0.000 1.257 674 L CA -0.208 54.686 54.840 0.091 0.000 1.038 674 L CB 0.328 42.449 42.059 0.103 0.000 1.395 674 L HN 0.579 nan 8.230 nan 0.000 0.566 675 D N 1.301 121.740 120.400 0.064 0.000 2.313 675 D HA 0.047 4.687 4.640 -0.000 0.000 0.239 675 D C 0.660 176.989 176.300 0.048 0.000 1.142 675 D CA 0.049 54.081 54.000 0.053 0.000 0.847 675 D CB 0.356 41.184 40.800 0.047 0.000 1.082 675 D HN 0.147 nan 8.370 nan 0.000 0.480 676 N N 3.029 121.756 118.700 0.045 0.000 2.669 676 N HA -0.257 4.483 4.740 -0.000 0.000 0.266 676 N C -1.280 174.254 175.510 0.040 0.000 1.024 676 N CA 0.740 53.813 53.050 0.038 0.000 0.766 676 N CB -0.399 38.105 38.487 0.029 0.000 0.898 676 N HN 0.467 nan 8.380 nan 0.000 0.548 677 T N -0.234 114.350 114.554 0.051 0.000 2.731 677 T HA 0.132 4.482 4.350 -0.000 0.000 0.300 677 T C -1.773 172.968 174.700 0.068 0.000 1.283 677 T CA -0.602 61.532 62.100 0.057 0.000 1.005 677 T CB 1.492 70.401 68.868 0.067 0.000 1.420 677 T HN 0.208 nan 8.240 nan 0.000 0.503 678 D N 1.453 121.899 120.400 0.077 0.000 2.338 678 D HA 0.525 5.164 4.640 -0.000 0.000 0.255 678 D C -0.287 176.103 176.300 0.150 0.000 1.237 678 D CA 0.026 54.078 54.000 0.087 0.000 0.883 678 D CB 0.610 41.447 40.800 0.062 0.000 1.087 678 D HN 0.730 nan 8.370 nan 0.000 0.485 679 A N 3.256 126.158 122.820 0.136 0.000 2.320 679 A HA 0.649 4.969 4.320 -0.000 0.000 0.334 679 A C -0.735 176.953 177.584 0.173 0.000 1.147 679 A CA -0.655 51.482 52.037 0.167 0.000 0.820 679 A CB 1.485 20.570 19.000 0.142 0.000 1.218 679 A HN 0.358 nan 8.150 nan 0.000 0.482 680 V N 2.119 122.158 119.914 0.209 0.000 2.487 680 V HA 0.404 4.524 4.120 -0.000 0.000 0.298 680 V C -0.363 175.815 176.094 0.141 0.000 1.028 680 V CA -0.536 61.833 62.300 0.114 0.000 0.860 680 V CB 1.546 33.419 31.823 0.084 0.000 0.991 680 V HN 0.659 nan 8.190 nan 0.000 0.427 681 V N 3.962 123.891 119.914 0.026 0.000 2.481 681 V HA 0.476 4.596 4.120 -0.000 0.000 0.286 681 V C -0.975 175.133 176.094 0.022 0.000 1.042 681 V CA -0.501 61.883 62.300 0.141 0.000 0.928 681 V CB 1.584 33.467 31.823 0.101 0.000 0.986 681 V HN 0.902 nan 8.190 nan 0.000 0.462 682 W N 4.746 126.182 121.300 0.225 0.000 2.532 682 W HA 0.726 5.386 4.660 -0.000 0.000 0.321 682 W C -0.237 176.461 176.519 0.299 0.000 1.037 682 W CA -0.671 56.811 57.345 0.229 0.000 1.220 682 W CB 1.197 30.756 29.460 0.166 0.000 1.361 682 W HN 0.273 nan 8.180 nan 0.000 0.468 683 M N 3.136 123.008 119.600 0.453 0.000 2.205 683 M HA 0.412 4.892 4.480 -0.000 0.000 0.344 683 M C -0.299 176.272 176.300 0.451 0.000 1.085 683 M CA -0.335 55.200 55.300 0.392 0.000 1.001 683 M CB 1.686 34.453 32.600 0.278 0.000 1.626 683 M HN 0.236 nan 8.290 nan 0.000 0.442 684 T N 1.715 116.538 114.554 0.449 0.000 2.758 684 T HA 0.448 4.798 4.350 -0.000 0.000 0.285 684 T C -0.337 174.585 174.700 0.371 0.000 0.981 684 T CA -0.327 62.036 62.100 0.438 0.000 0.965 684 T CB 1.287 70.453 68.868 0.498 0.000 0.927 684 T HN 0.673 nan 8.240 nan 0.000 0.448 685 T N 2.082 116.875 114.554 0.399 0.000 2.893 685 T HA 0.761 5.111 4.350 -0.000 0.000 0.293 685 T C -0.408 174.525 174.700 0.387 0.000 1.027 685 T CA -0.426 61.905 62.100 0.386 0.000 0.988 685 T CB 1.239 70.365 68.868 0.430 0.000 1.043 685 T HN 0.773 nan 8.240 nan 0.000 0.461 686 G N 1.655 110.625 108.800 0.284 0.000 2.660 686 G HA2 0.692 4.652 3.960 -0.000 0.000 0.294 686 G HA3 0.692 4.652 3.960 -0.000 0.000 0.294 686 G C -0.647 174.364 174.900 0.184 0.000 1.369 686 G CA -0.575 44.656 45.100 0.219 0.000 0.912 686 G HN 0.942 nan 8.290 nan 0.000 0.479 687 T N -2.311 112.353 114.554 0.185 0.000 2.924 687 T HA 0.721 5.071 4.350 -0.000 0.000 0.291 687 T C -0.457 174.262 174.700 0.031 0.000 1.045 687 T CA -0.670 61.515 62.100 0.140 0.000 1.015 687 T CB 2.057 71.073 68.868 0.246 0.000 1.103 687 T HN 0.376 nan 8.240 nan 0.000 0.496 688 T N 1.739 116.269 114.554 -0.039 0.000 2.758 688 T HA 0.331 4.681 4.350 -0.000 0.000 0.285 688 T C -0.844 173.734 174.700 -0.204 0.000 0.981 688 T CA -0.408 61.616 62.100 -0.127 0.000 0.965 688 T CB 0.043 68.847 68.868 -0.106 0.000 0.927 688 T HN 0.788 nan 8.240 nan 0.000 0.448 689 H N 3.221 122.006 119.070 -0.476 0.000 2.581 689 H HA 0.574 5.130 4.556 -0.000 0.000 0.308 689 H C -0.980 174.090 175.328 -0.431 0.000 1.040 689 H CA -0.776 54.905 56.048 -0.612 0.000 1.231 689 H CB 0.525 29.863 29.762 -0.706 0.000 1.396 689 H HN 0.297 nan 8.280 nan 0.000 0.467 690 V N 4.980 124.878 119.914 -0.028 0.000 2.370 690 V HA 0.395 4.515 4.120 -0.000 0.000 0.283 690 V C 0.481 176.642 176.094 0.112 0.000 1.023 690 V CA -0.650 61.639 62.300 -0.018 0.000 0.857 690 V CB 0.886 32.681 31.823 -0.048 0.000 0.985 690 V HN 0.933 nan 8.190 nan 0.000 0.443 691 A N 6.443 129.282 122.820 0.031 0.000 2.346 691 A HA 0.814 5.134 4.320 -0.000 0.000 0.252 691 A C 0.336 177.976 177.584 0.093 0.000 1.089 691 A CA -0.229 51.867 52.037 0.099 0.000 0.797 691 A CB 0.458 19.445 19.000 -0.020 0.000 1.047 691 A HN 1.012 nan 8.150 nan 0.000 0.494 692 R N -1.006 119.574 120.500 0.133 0.000 2.781 692 R HA 0.680 5.020 4.340 -0.000 0.000 0.269 692 R C 0.334 176.698 176.300 0.106 0.000 1.025 692 R CA -0.240 55.913 56.100 0.089 0.000 0.914 692 R CB 1.300 31.655 30.300 0.093 0.000 1.236 692 R HN 0.635 nan 8.270 nan 0.000 0.465 693 A N 0.723 123.590 122.820 0.078 0.000 2.015 693 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 693 A C 1.417 179.086 177.584 0.142 0.000 1.163 693 A CA 1.391 53.489 52.037 0.102 0.000 0.646 693 A CB -0.572 18.462 19.000 0.057 0.000 0.806 693 A HN 0.837 nan 8.150 nan 0.000 0.448 694 E N 0.477 120.743 120.200 0.109 0.000 2.333 694 E HA -0.167 4.183 4.350 -0.000 0.000 0.200 694 E C 1.158 177.825 176.600 0.113 0.000 1.010 694 E CA 1.323 57.780 56.400 0.096 0.000 0.841 694 E CB -0.166 29.579 29.700 0.075 0.000 0.757 694 E HN 0.785 nan 8.360 nan 0.000 0.508 695 E N -1.047 119.255 120.200 0.170 0.000 2.465 695 E HA 0.048 4.398 4.350 -0.000 0.000 0.195 695 E C -0.417 176.336 176.600 0.255 0.000 1.028 695 E CA -0.278 56.236 56.400 0.189 0.000 0.899 695 E CB 0.423 30.281 29.700 0.262 0.000 1.032 695 E HN 0.191 nan 8.360 nan 0.000 0.468 696 W N 1.803 123.113 121.300 0.017 0.000 2.957 696 W HA 0.253 4.913 4.660 -0.000 0.000 0.336 696 W C -2.443 174.087 176.519 0.018 0.000 1.087 696 W CA -2.083 55.268 57.345 0.011 0.000 1.235 696 W CB 1.773 31.239 29.460 0.009 0.000 1.399 696 W HN -0.124 nan 8.180 nan 0.000 0.480 697 P HA 0.126 nan 4.420 nan 0.000 0.245 697 P C -0.061 176.830 177.300 -0.681 0.000 1.206 697 P CA 0.699 63.004 63.100 -1.325 0.000 0.781 697 P CB 1.414 32.563 31.700 -0.919 0.000 0.994 698 I N -0.605 119.772 120.570 -0.322 0.000 2.647 698 I HA 0.383 4.553 4.170 -0.000 0.000 0.295 698 I C -0.923 175.111 176.117 -0.138 0.000 1.078 698 I CA -1.655 59.486 61.300 -0.266 0.000 1.048 698 I CB 2.773 40.622 38.000 -0.252 0.000 1.239 698 I HN -0.307 nan 8.210 nan 0.000 0.421 699 M N 9.471 128.987 119.600 -0.140 0.000 2.061 699 M HA 0.506 4.986 4.480 -0.000 0.000 0.346 699 M C -2.453 173.776 176.300 -0.118 0.000 1.112 699 M CA -1.649 53.609 55.300 -0.071 0.000 1.021 699 M CB 0.924 33.524 32.600 0.000 0.000 1.530 699 M HN 0.253 nan 8.290 nan 0.000 0.437 700 P HA -0.021 nan 4.420 nan 0.000 0.263 700 P C -0.770 176.432 177.300 -0.163 0.000 1.175 700 P CA 0.331 63.372 63.100 -0.098 0.000 0.761 700 P CB 0.177 31.845 31.700 -0.052 0.000 0.794 701 T N 3.820 118.265 114.554 -0.181 0.000 2.902 701 T HA 0.079 4.429 4.350 -0.000 0.000 0.301 701 T C 0.267 174.739 174.700 -0.381 0.000 1.012 701 T CA 0.081 61.981 62.100 -0.333 0.000 1.151 701 T CB -0.020 68.665 68.868 -0.304 0.000 0.946 701 T HN 0.339 nan 8.240 nan 0.000 0.542 702 E N 1.995 121.867 120.200 -0.546 0.000 2.195 702 E HA 0.355 4.705 4.350 -0.000 0.000 0.271 702 E C -0.977 175.278 176.600 -0.575 0.000 0.923 702 E CA -0.525 55.578 56.400 -0.495 0.000 0.790 702 E CB 1.811 31.089 29.700 -0.703 0.000 1.155 702 E HN 0.611 nan 8.360 nan 0.000 0.402 703 W N 1.299 122.447 121.300 -0.253 0.000 2.736 703 W HA 0.444 5.104 4.660 0.000 0.000 0.335 703 W C -0.241 176.060 176.519 -0.363 0.000 1.059 703 W CA -0.815 56.331 57.345 -0.332 0.000 1.226 703 W CB 1.561 30.810 29.460 -0.352 0.000 1.416 703 W HN 0.207 nan 8.180 nan 0.000 0.505 704 V N -0.309 119.506 119.914 -0.166 0.000 2.815 704 V HA 0.620 4.740 4.120 -0.000 0.000 0.314 704 V C -0.630 175.216 176.094 -0.414 0.000 1.064 704 V CA -0.848 61.358 62.300 -0.158 0.000 0.952 704 V CB 1.733 33.627 31.823 0.118 0.000 1.020 704 V HN 0.596 nan 8.190 nan 0.000 0.439 705 H N 2.076 121.150 119.070 0.007 0.000 2.637 705 H HA 0.795 5.351 4.556 0.000 0.000 0.363 705 H C -0.273 174.989 175.328 -0.111 0.000 1.131 705 H CA 0.083 56.075 56.048 -0.093 0.000 1.183 705 H CB 2.348 32.026 29.762 -0.140 0.000 1.637 705 H HN 1.074 nan 8.280 nan 0.000 0.531 706 T N 0.039 114.564 114.554 -0.050 0.000 2.865 706 T HA 0.648 4.998 4.350 -0.000 0.000 0.294 706 T C -1.137 173.471 174.700 -0.155 0.000 1.119 706 T CA -0.828 61.211 62.100 -0.101 0.000 1.007 706 T CB 2.021 70.801 68.868 -0.147 0.000 1.225 706 T HN 0.222 nan 8.240 nan 0.000 0.515 707 L N 0.367 121.507 121.223 -0.139 0.000 2.506 707 L HA 0.679 5.019 4.340 -0.000 0.000 0.257 707 L C -1.698 175.123 176.870 -0.082 0.000 0.964 707 L CA -0.802 53.961 54.840 -0.127 0.000 0.836 707 L CB 2.274 44.274 42.059 -0.099 0.000 1.384 707 L HN 0.832 nan 8.230 nan 0.000 0.410 708 L N 3.538 124.737 121.223 -0.039 0.000 2.415 708 L HA 0.537 4.877 4.340 -0.000 0.000 0.268 708 L C -0.766 176.225 176.870 0.203 0.000 0.984 708 L CA -0.639 54.267 54.840 0.109 0.000 0.853 708 L CB 1.532 43.651 42.059 0.100 0.000 1.215 708 L HN 0.490 nan 8.230 nan 0.000 0.419 709 K N 4.071 124.535 120.400 0.106 0.000 2.221 709 K HA 0.529 4.848 4.320 -0.000 0.000 0.258 709 K C -2.620 173.721 176.600 -0.431 0.000 0.944 709 K CA -1.913 54.333 56.287 -0.068 0.000 0.823 709 K CB 1.943 34.438 32.500 -0.010 0.000 1.113 709 K HN 0.184 nan 8.250 nan 0.000 0.431 710 P HA -0.073 nan 4.420 nan 0.000 0.268 710 P C -0.973 176.182 177.300 -0.241 0.000 1.204 710 P CA -0.007 62.511 63.100 -0.970 0.000 0.768 710 P CB 0.496 31.899 31.700 -0.495 0.000 0.842 711 W N 5.641 126.762 121.300 -0.298 0.000 2.517 711 W HA 0.163 4.823 4.660 0.000 0.000 0.301 711 W C -0.420 176.080 176.519 -0.031 0.000 1.002 711 W CA -0.347 56.933 57.345 -0.108 0.000 1.415 711 W CB 0.011 29.424 29.460 -0.079 0.000 1.275 711 W HN 0.528 nan 8.180 nan 0.000 0.413 712 N N 3.515 122.160 118.700 -0.093 0.000 2.741 712 N HA -0.320 4.419 4.740 -0.000 0.000 0.250 712 N C 0.341 175.859 175.510 0.013 0.000 1.115 712 N CA 1.503 54.528 53.050 -0.041 0.000 0.724 712 N CB -1.931 36.558 38.487 0.003 0.000 1.090 712 N HN 0.527 nan 8.380 nan 0.000 0.558 713 F N -0.124 119.709 119.950 -0.195 0.000 2.234 713 F HA 0.192 4.719 4.527 -0.000 0.000 0.296 713 F C 0.812 176.265 175.800 -0.578 0.000 1.089 713 F CA 0.800 58.569 58.000 -0.385 0.000 1.343 713 F CB 0.204 38.874 39.000 -0.549 0.000 1.040 713 F HN -0.025 nan 8.300 nan 0.000 0.498 714 F N 0.214 120.183 119.950 0.032 0.000 2.461 714 F HA 0.260 4.786 4.527 -0.000 0.000 0.332 714 F C 1.259 177.011 175.800 -0.080 0.000 1.073 714 F CA -0.849 57.121 58.000 -0.050 0.000 1.017 714 F CB 0.322 39.295 39.000 -0.044 0.000 1.301 714 F HN -0.292 nan 8.300 nan 0.000 0.492 715 D N -0.252 120.227 120.400 0.133 0.000 2.360 715 D HA 0.076 4.716 4.640 -0.000 0.000 0.210 715 D C 0.037 176.345 176.300 0.013 0.000 1.047 715 D CA 0.567 54.586 54.000 0.031 0.000 0.854 715 D CB 0.262 41.069 40.800 0.011 0.000 0.936 715 D HN 0.731 nan 8.370 nan 0.000 0.514 716 E N -1.966 118.255 120.200 0.036 0.000 2.421 716 E HA 0.148 4.498 4.350 -0.000 0.000 0.276 716 E C -1.244 175.322 176.600 -0.058 0.000 1.154 716 E CA -0.826 55.557 56.400 -0.029 0.000 0.883 716 E CB 0.148 29.824 29.700 -0.041 0.000 1.429 716 E HN -0.281 nan 8.360 nan 0.000 0.436 717 T N 2.707 117.202 114.554 -0.098 0.000 2.738 717 T HA 0.052 4.402 4.350 -0.000 0.000 0.277 717 T C -1.837 172.779 174.700 -0.141 0.000 0.981 717 T CA -0.313 61.717 62.100 -0.117 0.000 1.211 717 T CB 0.140 68.920 68.868 -0.146 0.000 0.932 717 T HN 0.307 nan 8.240 nan 0.000 0.522 718 P HA -0.011 nan 4.420 nan 0.000 0.226 718 P C 1.323 178.516 177.300 -0.179 0.000 1.153 718 P CA 0.645 63.495 63.100 -0.417 0.000 0.777 718 P CB 0.037 31.225 31.700 -0.853 0.000 0.794 719 T N -4.176 110.353 114.554 -0.042 0.000 3.069 719 T HA 0.211 4.561 4.350 -0.000 0.000 0.252 719 T C 1.538 176.309 174.700 0.119 0.000 1.053 719 T CA -0.185 61.943 62.100 0.047 0.000 0.964 719 T CB -0.693 68.238 68.868 0.106 0.000 1.005 719 T HN 0.012 nan 8.240 nan 0.000 0.532 720 L N 1.277 122.547 121.223 0.078 0.000 2.131 720 L HA 0.176 4.516 4.340 -0.000 0.000 0.210 720 L C 1.553 178.450 176.870 0.047 0.000 1.092 720 L CA 1.314 56.199 54.840 0.074 0.000 0.759 720 L CB -0.916 41.132 42.059 -0.019 0.000 0.903 720 L HN 0.730 nan 8.230 nan 0.000 0.435 721 G N -1.490 107.316 108.800 0.009 0.000 2.663 721 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.686 721 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.686 721 G C -0.419 174.477 174.900 -0.007 0.000 1.288 721 G CA -0.600 44.498 45.100 -0.003 0.000 0.836 721 G HN 0.429 nan 8.290 nan 0.000 0.584 722 A N 0.193 123.007 122.820 -0.010 0.000 2.440 722 A HA 0.623 4.943 4.320 -0.000 0.000 0.251 722 A C 0.957 178.538 177.584 -0.005 0.000 1.089 722 A CA -0.025 52.008 52.037 -0.007 0.000 0.779 722 A CB 0.209 19.204 19.000 -0.008 0.000 1.022 722 A HN 1.365 nan 8.150 nan 0.000 0.492 723 L N 3.045 124.265 121.223 -0.005 0.000 2.462 723 L HA 0.023 4.363 4.340 -0.000 0.000 0.272 723 L C 1.566 178.432 176.870 -0.006 0.000 1.166 723 L CA -0.130 54.707 54.840 -0.006 0.000 0.880 723 L CB 0.499 42.554 42.059 -0.007 0.000 1.142 723 L HN 0.884 nan 8.230 nan 0.000 0.473 724 K N 2.760 123.157 120.400 -0.005 0.000 2.127 724 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 724 K C 0.622 177.218 176.600 -0.006 0.000 1.047 724 K CA 1.905 58.189 56.287 -0.005 0.000 0.927 724 K CB -0.205 32.292 32.500 -0.005 0.000 0.716 724 K HN 0.686 nan 8.250 nan 0.000 0.450 725 K N 0.000 120.396 120.400 -0.007 0.000 2.780 725 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 725 K CA 0.000 nan 56.287 nan 0.000 0.838 725 K CB 0.000 nan 32.500 nan 0.000 1.064 725 K HN 0.000 nan 8.250 nan 0.000 0.543